#DEFINITION	Reference Metabolome for Platycodon grandiflorus
#IDENTTFIER	RefMeta-Platycodon grandiflorus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Platycodon grandiflorus
#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 Platycodon grandiflorus 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	1001.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	1.6
70.17998	1.1
70.32756	1.4
70.50657	3.1
71.01411	1.3
71.05003	9.5
73.02916	4.5
74.93687	1.3
75.04475	1.5
75.46067	1.2
78.04789	1.2
79.05499	2.7
81.03416	1.9
81.07055	3.7
81.10783	1.2
83.04985	42.3
85.02909	100.0
86.03250	2.2
87.04485	2.9
88.62823	1.4
91.05474	4.0
93.07041	5.4
95.04971	5.7
95.08610	20.7
96.08933	1.6
97.02895	6.8
99.04485	1.6
103.05474	7.4
104.06306	1.4
105.07033	7.3
107.04935	2.5
107.08602	5.7
108.46066	1.3
109.10168	3.3
111.03694	2.8
111.04450	40.6
113.06011	4.2
115.03933	2.2
115.05499	2.2
116.10715	1.4
117.05508	2.7
117.07005	2.9
119.04995	1.5
119.08602	7.8
121.06508	5.0
121.10126	3.2
123.04458	1.5
123.08025	2.1
127.03933	6.2
129.05495	28.1
131.04939	11.7
131.08615	3.1
133.06483	2.2
133.10124	2.9
135.08063	1.5
135.11710	1.8
135.72360	1.4
137.05984	6.5
137.09604	4.2
143.08601	1.6
145.06502	1.5
145.10138	4.6
147.08101	4.2
147.11714	1.6
151.03909	3.2
157.10139	3.6
159.08066	1.5
159.11682	2.3
161.06001	2.2
161.09586	4.0
161.13359	1.8
163.07568	10.0
167.07053	9.0
171.06531	73.3
171.11652	1.9
172.06863	2.9
173.05960	1.9
173.13347	3.4
175.14751	1.7
181.04895	6.6
183.11726	2.1
185.13312	2.4
189.07587	68.8
189.12764	3.2
190.06186	1.5
190.07909	2.6
191.07074	4.3
191.14313	3.7
203.14302	18.5
204.14781	1.5
217.15982	3.1
229.15968	3.5
243.17525	1.7
287.05511	2.5
303.10751	1.9
333.12231	1.9
384.90155	1.6
385.12897	1.7
409.31042	21.9
410.31461	2.9
417.15103	2.1
419.29660	2.2
421.31085	4.6
437.30576	6.3
439.32141	19.0
453.29944	7.5
457.33130	13.1
463.31244	1.6
465.30014	2.0
483.24326	1.8
483.31027	24.2
484.31216	2.5
501.32153	12.9
502.32507	1.9
519.33368	5.7
530.98126	1.5
925.85785	1.5
1001.33594	1.9
1001.52820	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	1002.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93224	5.2
73.02909	12.1
77.35153	3.0
80.40605	3.2
81.03432	3.8
83.04984	47.8
85.02908	94.9
91.05489	4.5
95.08595	6.3
95.99135	3.4
97.02901	48.9
99.04458	7.2
109.10205	3.5
111.04446	48.3
115.03957	14.6
127.03958	7.2
129.05501	15.7
137.06004	3.7
137.09618	5.0
149.24236	3.5
171.06529	100.0
175.06047	5.9
189.07582	87.4
189.09183	6.5
199.06006	4.4
203.14317	12.0
225.07576	8.5
243.08684	6.3
261.09671	9.8
295.11813	4.2
303.10840	8.4
321.11926	8.6
361.25574	3.6
411.09595	3.6
423.28613	4.8
428.07446	3.8
453.29794	5.3
467.27881	4.6
471.30847	8.9
515.29987	31.0
787.70453	4.0
829.36096	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	1002.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86561	2.3
69.86891	9.0
70.06586	2.6
71.01382	2.8
71.04997	21.8
71.74246	2.0
73.02927	12.8
74.67299	1.9
75.04488	2.4
75.45447	2.1
79.05501	4.4
81.03435	4.0
81.07073	4.4
83.04982	60.5
83.05460	3.7
84.14490	2.1
85.02912	19.7
87.04457	2.9
91.05507	4.3
93.07034	4.9
95.04961	4.6
95.08610	24.1
95.72894	2.3
97.02888	48.9
99.04485	3.0
105.07047	8.6
107.08658	5.6
109.06549	3.1
109.10165	3.3
111.04447	71.6
111.05200	4.2
112.04840	3.1
113.02359	2.2
113.06028	9.8
115.03961	7.7
117.05534	5.5
119.08613	7.0
121.06535	3.3
121.10155	3.1
127.03905	4.8
129.05489	41.0
131.08562	4.2
133.06554	2.2
133.10120	2.6
135.04448	2.7
135.11714	2.4
137.06026	3.6
137.09653	8.8
145.10100	3.7
149.13338	2.1
153.05518	2.8
157.10155	3.6
165.05502	2.9
171.06529	20.3
173.13249	3.0
185.13226	2.5
187.11218	3.4
189.07588	100.0
189.12622	2.5
191.14442	4.5
195.06488	2.9
199.14890	2.8
203.14339	24.6
207.06522	3.0
213.02336	2.4
215.14441	2.6
217.15915	4.0
225.07593	11.2
229.16016	2.4
231.08580	2.3
243.08701	5.7
283.20276	2.2
303.10736	2.3
321.11868	4.5
409.30939	6.7
423.28790	17.1
424.29318	2.7
451.28479	6.2
453.30264	14.4
467.27859	3.2
471.31100	22.4
497.28882	8.8
515.30035	62.3
516.30322	6.3
533.30640	6.1
581.35016	5.9
614.48743	2.4
625.33325	5.8
1002.51978	3.7
1007.13489	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	1.0
71.04597	1.7
71.04993	31.0
73.02921	9.1
74.95927	0.9
75.04485	2.2
77.25165	0.7
79.05499	5.0
81.03407	2.1
81.07056	8.7
83.04981	44.9
83.08620	1.0
84.80315	0.8
85.02902	29.2
87.04504	4.8
91.05472	5.0
93.07044	9.1
93.92796	0.8
94.03324	0.7
95.04986	6.3
95.08603	21.4
97.02891	11.9
97.06503	1.4
97.10179	0.9
99.04443	2.3
101.02351	1.1
101.06047	1.7
103.05464	1.5
105.07034	14.1
107.08594	11.6
108.40715	0.7
109.02798	1.0
109.06516	2.1
109.10161	7.0
111.04440	56.7
111.08066	1.2
112.04797	0.9
113.06006	13.3
115.03913	5.8
115.05507	0.9
117.05511	7.3
117.07007	3.3
117.81824	0.7
119.08578	26.2
121.06496	3.3
121.10139	8.5
123.08071	3.7
123.11672	2.0
125.05997	1.1
127.03887	3.7
128.06223	1.5
129.05481	54.0
129.07024	2.4
131.04877	1.4
131.08578	10.3
133.06519	1.4
133.10130	9.5
135.08054	1.9
135.11731	4.1
137.05959	1.0
137.09615	1.5
141.07002	1.2
142.07738	1.1
143.08545	6.9
145.04948	1.1
145.06451	1.0
145.10117	17.4
147.08034	2.8
147.11697	6.7
149.09619	2.8
149.13251	3.7
153.05432	1.4
155.08594	1.8
157.10139	8.1
158.10887	1.2
159.08038	2.0
159.11684	11.1
161.09668	4.1
161.13229	7.1
163.07538	0.9
163.11154	1.4
163.14796	3.9
167.07043	1.5
169.10156	2.2
171.06520	30.1
171.11659	5.1
173.09557	1.2
173.13237	7.8
175.11256	2.2
175.14839	6.6
177.12758	2.5
177.16414	2.4
181.04971	1.2
181.10213	0.8
182.10521	0.9
183.11690	2.3
185.13210	4.9
187.14819	25.5
189.07581	100.0
189.12660	5.0
189.16330	5.6
190.07947	2.4
191.14304	2.7
195.11528	1.0
197.13245	3.4
199.14821	8.0
201.12735	1.7
201.16394	12.8
203.14330	19.9
203.18016	2.0
205.15843	5.4
211.14792	2.8
213.12733	1.1
213.16342	5.8
215.14342	3.6
215.17949	1.6
217.15851	5.0
219.17441	0.9
221.15239	1.0
225.07568	2.0
225.16325	2.0
227.18013	2.4
229.15793	4.0
229.19502	0.9
231.17503	3.2
233.15334	1.3
239.18047	1.4
241.15886	1.0
241.19563	1.8
243.08551	1.5
247.16977	2.3
255.08710	1.2
265.19592	1.1
267.21045	1.2
321.11453	1.0
369.27695	0.9
391.29996	2.8
403.29947	3.6
405.31378	2.5
409.30725	1.4
419.29242	1.2
421.30933	4.8
423.32529	3.1
431.29324	2.3
437.30609	4.9
439.31937	2.7
449.30518	7.3
455.31552	50.4
456.31934	3.6
467.31506	13.7
485.32623	63.4
486.33109	4.6
496.34149	1.4
503.33676	40.9
504.33987	3.3
521.34644	10.1
548.08142	0.9
587.35474	3.4
595.36841	1.1
617.36469	3.3
635.37787	1.4
673.39355	1.9
691.40338	5.5
875.96930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
71.04992	0.9
73.02919	3.4
79.05490	1.9
81.03416	1.2
81.07067	3.0
83.04980	38.2
83.08615	0.5
84.05328	0.4
85.02903	100.0
85.19604	0.3
86.03227	1.3
87.04464	1.2
91.05475	2.3
93.07039	4.1
95.04974	3.0
95.08611	9.5
95.09219	0.5
97.02886	5.3
97.06554	0.7
97.10158	0.4
99.04449	1.8
99.08039	0.5
101.05997	0.5
103.05463	0.6
105.07038	6.3
107.08591	5.1
108.64722	0.3
109.06484	0.8
109.10165	3.0
111.04443	25.9
111.08060	0.5
112.04797	0.4
113.06021	0.6
115.03947	2.3
117.07034	1.0
119.08585	9.6
121.06512	1.4
121.10146	3.3
122.72471	0.4
123.08086	1.2
123.11712	0.6
127.03922	6.6
128.06219	0.4
129.05482	10.0
129.07025	1.0
131.08574	4.6
133.04970	0.7
133.06569	0.5
133.10144	4.9
135.08051	1.1
135.11627	1.7
137.06000	0.5
137.09612	0.7
143.08554	2.4
145.04939	0.6
145.10126	8.2
147.06467	0.4
147.08104	0.9
147.11667	2.7
149.09656	1.3
149.13239	1.1
151.11148	0.4
153.05597	0.3
155.08626	0.8
156.09322	0.5
157.10123	3.1
159.11711	4.6
161.09604	1.1
161.13248	2.5
163.07529	0.5
163.14839	1.2
167.07118	0.6
167.08524	0.4
169.10146	1.0
171.06523	69.7
171.11551	2.2
172.06918	2.1
172.12558	0.4
173.09479	0.4
173.13268	3.4
175.06009	0.6
175.11143	0.5
175.14850	2.9
177.16402	1.1
181.04985	0.4
181.10199	0.5
183.11699	1.0
185.13229	2.6
187.14813	10.0
188.15157	0.6
189.07578	45.5
189.12657	2.0
189.16327	2.0
190.07892	1.0
191.14268	1.3
195.11684	0.7
197.13278	1.1
199.14822	3.0
201.12711	0.7
201.16399	4.0
203.14310	8.5
203.17972	1.1
205.15857	1.5
209.13300	0.6
211.14838	1.2
213.12654	0.4
213.16339	2.0
215.14357	1.8
215.17926	0.8
217.15894	1.6
219.17378	0.5
221.15398	0.6
223.14700	0.4
225.07585	0.8
225.16446	0.7
227.17921	0.8
229.15851	1.5
231.08748	0.4
231.17444	1.1
233.15453	0.9
233.18842	0.4
237.16415	0.6
239.18149	0.4
243.08618	0.9
243.17348	0.5
245.15375	0.6
247.16956	0.4
253.19518	0.7
261.09882	0.7
263.18011	0.4
265.19565	0.4
279.20908	0.4
281.22739	0.4
281.57788	0.3
285.09781	0.8
297.21948	0.4
303.10605	2.2
305.40567	0.4
321.11761	0.8
333.11566	1.9
371.25714	0.6
391.29922	1.2
393.31491	0.4
403.29767	1.3
405.31476	1.2
421.31110	2.6
423.32364	1.6
431.29364	0.7
437.30646	1.8
439.32013	1.3
449.30545	3.0
450.30750	0.6
455.31558	20.6
456.31833	2.1
457.33194	0.5
467.31622	6.2
485.32626	35.8
486.32892	4.0
490.77655	0.5
503.33667	21.9
504.33939	2.0
521.34705	6.6
522.34924	0.9
527.33698	0.4
587.35339	1.2
617.36499	1.5
635.37048	0.7
673.39465	0.5
691.39453	1.3
691.50293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89496	0.9
70.06599	1.9
71.04993	50.7
73.02921	2.6
75.04468	5.4
79.05514	2.4
81.03398	3.0
81.07047	4.2
83.04977	15.4
85.02905	96.7
86.03261	1.1
86.09705	1.2
87.04475	2.3
91.05468	4.0
93.07055	4.8
93.56187	1.0
95.04971	2.3
95.08598	10.9
97.02887	8.2
98.22723	1.4
98.93562	1.0
99.04441	1.2
103.03983	1.5
105.07031	8.3
107.04975	1.2
107.08609	6.7
109.02868	2.3
109.06494	1.1
109.10144	2.9
111.04437	19.0
115.04664	1.0
115.05455	1.4
117.07014	2.7
119.08573	16.0
121.06504	1.8
121.10143	4.2
123.04456	1.2
123.11728	1.7
127.03925	8.4
129.05478	37.1
129.06955	1.8
131.04912	1.3
131.08553	7.4
133.10144	6.6
135.08041	2.6
135.11697	3.7
137.05971	3.1
137.13228	1.0
142.53546	0.8
143.08562	5.1
145.04973	6.8
145.10126	13.8
147.06526	20.9
147.07901	2.0
147.11664	3.7
149.13258	1.5
151.03899	1.0
151.07509	1.7
153.05548	0.9
155.08597	1.2
156.09337	1.0
157.10106	6.3
159.11707	6.5
161.06039	1.7
161.09659	2.7
161.13260	3.5
163.06024	2.1
163.07416	1.4
163.14864	2.3
167.07066	4.8
167.08434	0.9
171.06488	1.2
171.11647	2.9
173.13255	5.0
175.07703	1.1
175.14792	4.1
177.09077	1.1
177.16420	1.4
179.07112	1.4
181.05005	2.0
181.10109	1.6
183.11691	3.0
185.13286	4.3
187.11217	1.3
187.14828	26.4
189.12724	4.0
189.16403	4.3
191.07109	1.4
191.14346	2.3
197.08197	0.9
197.13205	2.0
199.14844	6.5
201.12697	1.7
201.16360	6.3
203.14302	17.3
203.17796	1.6
205.12228	1.0
205.15906	1.9
209.08115	1.1
211.14705	1.6
213.16360	4.1
215.14326	1.7
217.15868	2.9
219.13766	1.2
225.16385	1.1
227.17967	1.5
229.15810	1.6
231.17429	1.9
233.15308	1.9
235.16924	1.1
239.18155	1.4
243.13803	1.7
255.08647	3.2
273.09766	3.4
287.05475	1.2
309.11798	4.1
309.25745	3.8
325.25153	1.2
353.24722	1.6
371.25436	1.3
373.13553	1.1
389.28671	1.0
405.27722	2.3
407.29581	4.2
407.98022	1.0
417.27835	2.1
423.29114	1.1
433.27457	1.2
435.29031	6.5
437.30475	1.6
451.28265	3.6
453.29868	7.9
455.31570	8.5
463.28409	1.2
469.29352	8.8
471.31027	1.3
481.29419	5.0
489.30792	1.1
499.23270	1.4
499.30560	18.9
500.30777	1.6
517.31580	100.0
518.31891	7.2
609.34131	2.0
627.34937	3.4
842.48120	0.9
1004.34808	1.9
1005.36218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04994	5.0
73.02890	2.6
73.74060	2.7
79.05498	59.4
80.27212	2.5
81.03410	3.7
81.07058	89.1
83.04992	5.7
83.08627	12.4
85.02905	8.2
85.06548	5.1
91.03960	6.6
91.05484	43.7
93.07048	65.0
94.44623	2.4
95.04986	9.9
95.08604	54.4
95.09161	4.5
97.02896	4.1
97.06541	6.9
97.10175	7.7
105.04546	3.8
105.07040	34.7
107.04925	3.1
107.08598	36.2
107.51774	2.3
109.06532	8.1
109.10159	26.2
111.08121	3.6
117.07027	15.1
119.08586	30.7
121.06358	2.3
121.10170	28.4
123.08124	3.2
123.11716	7.8
125.09650	2.5
127.03911	3.6
129.07028	3.0
131.08574	24.9
133.10130	20.5
135.08060	4.3
135.11696	17.2
137.09642	4.8
143.08505	3.5
145.10120	17.8
147.11719	10.9
147.12782	2.7
149.09610	3.8
149.13222	11.9
157.10129	4.7
159.11717	11.5
161.13287	7.0
163.14850	3.9
171.11725	6.6
173.11771	4.6
173.13242	6.8
175.11322	3.3
175.14888	3.3
187.14870	2.9
189.16321	2.5
202.42993	2.7
229.14400	12.6
257.18961	5.7
261.22083	10.4
269.17499	17.0
275.20001	21.3
293.21118	5.2
309.20624	6.6
315.84421	2.6
335.25790	100.0
336.26135	5.7
349.23782	26.3
367.24915	13.2
472.05914	2.7
489.36133	13.0
513.61237	2.5
529.38843	56.9
530.39233	4.8
569.41827	33.6
609.45245	43.8
627.46045	29.4
653.11328	2.3
1005.54132	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.2
71.04996	22.9
72.67537	0.6
73.02911	1.6
75.04481	3.6
79.05489	8.8
81.03420	3.3
81.07056	12.7
83.04984	11.9
83.08626	1.3
85.02904	58.6
85.06533	0.6
86.03218	0.5
87.04480	1.2
91.04955	1.0
91.05482	12.9
91.06062	0.6
93.07045	15.7
95.04974	7.5
95.08604	16.2
96.08954	0.7
97.02889	6.7
97.06523	2.1
97.10176	0.7
99.04469	1.9
101.06001	1.0
103.03941	0.8
103.05472	1.5
105.07030	29.3
106.07335	0.9
107.04953	1.0
107.08595	18.2
109.02876	1.5
109.06525	4.6
109.10152	9.8
111.04439	7.4
111.08089	2.0
113.06007	1.4
115.05422	2.8
117.07024	6.0
119.04903	0.6
119.08578	30.7
120.08903	0.9
121.06509	4.8
121.10139	11.0
123.08076	3.2
123.11736	2.3
125.05962	0.6
125.09593	0.6
127.03910	5.1
128.06197	3.5
129.05481	18.4
129.06967	5.7
130.07788	1.9
131.08566	27.5
133.06500	5.4
133.10126	17.4
135.08070	5.4
135.11700	4.5
137.06091	0.7
137.09624	1.4
141.06998	2.2
142.07770	4.9
143.08554	18.2
144.09360	2.8
145.04970	4.8
145.06442	1.4
145.10124	42.6
146.07292	0.8
146.10504	1.2
147.06537	11.9
147.08058	6.9
147.11685	10.9
148.12074	0.5
149.06003	0.9
149.09645	3.7
149.13287	3.2
151.03911	1.6
151.11186	0.8
154.07698	0.6
155.08554	7.4
156.09335	4.8
157.10130	24.4
158.07384	0.5
158.10846	2.1
159.08067	4.4
159.11691	26.5
160.12192	0.7
161.06003	5.5
161.09616	11.9
161.13245	10.5
162.10011	0.7
163.06039	1.1
163.07535	0.9
163.11201	2.5
163.14764	2.7
165.05467	0.9
165.07639	0.9
165.09113	0.8
167.08630	1.6
168.09341	2.7
169.10127	8.4
170.10884	3.6
171.08116	0.9
171.11696	17.6
172.08798	0.6
172.12315	1.0
173.09602	4.0
173.13254	30.2
174.13651	1.6
175.11198	5.4
175.14815	9.8
176.15121	0.6
177.12801	2.1
177.16354	1.2
179.08626	0.6
179.14330	1.1
181.10184	2.1
182.10930	2.2
183.11705	12.8
184.12358	1.5
185.09677	1.7
185.13257	35.1
186.10394	0.9
186.13664	1.4
186.64029	0.5
187.11234	4.3
187.14816	27.0
188.15111	1.3
189.09146	1.1
189.12741	14.8
189.16373	3.0
190.13181	0.7
191.14278	6.9
193.08607	4.2
193.10075	0.7
195.11736	4.2
196.12471	0.9
197.13249	11.3
198.13762	1.1
199.11160	2.3
199.14815	23.6
200.15218	1.3
200.31030	0.6
201.12766	11.2
201.16385	9.2
202.13145	0.8
203.14311	27.5
204.14668	1.2
205.12256	2.4
205.15868	3.2
207.11726	1.7
207.13795	1.1
209.13284	4.1
210.13879	0.7
211.11284	1.0
211.14847	7.1
213.12842	3.1
213.16327	5.5
215.14323	11.4
215.17924	2.1
216.14636	0.7
217.12297	1.8
217.15869	11.2
219.11694	1.3
219.13795	14.6
219.17303	1.1
220.14154	0.9
221.13260	1.7
221.15398	6.8
223.14812	2.4
223.16829	0.9
225.12917	0.7
225.16403	3.6
227.14320	2.2
227.17825	2.8
229.15891	6.8
230.16197	0.6
231.13814	4.1
231.17378	2.9
233.13321	1.0
233.15421	3.3
235.14911	1.2
235.16890	0.7
237.07529	0.9
237.16547	1.0
239.17931	1.9
241.15904	1.0
241.19499	0.9
243.13834	1.1
243.17517	1.8
245.15410	2.8
247.13246	1.0
247.17000	2.2
249.14754	0.8
251.17940	2.0
253.15694	0.7
253.19588	1.5
255.08656	3.0
255.17464	0.9
257.15231	0.7
261.14792	1.2
263.16254	0.6
263.18152	0.7
265.19614	1.7
269.19113	0.9
273.09790	2.5
273.16107	0.8
273.18692	0.8
277.14249	0.7
277.19568	1.0
279.21130	0.8
281.18985	0.9
289.19717	0.8
291.21021	0.7
295.20819	0.8
297.18414	0.8
297.21979	0.7
309.11774	6.0
323.23663	1.3
325.25259	0.6
337.21613	0.7
341.21881	0.6
347.23846	0.7
370.21399	0.6
371.27377	1.7
373.29007	0.8
383.27228	1.4
385.28781	0.7
389.28461	7.5
390.28748	0.6
391.30084	2.4
401.28207	5.6
402.28323	0.7
403.30038	2.7
405.27908	1.4
407.29483	6.8
408.29922	0.7
409.30859	1.3
413.27151	0.8
417.27747	3.0
419.29355	7.4
420.29633	0.9
421.31445	2.5
423.28705	0.6
425.30655	2.6
429.27884	2.3
435.28955	15.5
436.29123	2.4
437.30441	7.5
438.30997	1.1
439.32306	1.3
447.28809	7.6
448.29196	0.8
453.29996	16.4
454.30350	1.6
455.31561	4.0
465.30020	17.5
466.30396	2.0
471.31052	62.1
472.31393	6.7
473.32602	1.9
483.31024	22.9
483.37949	1.3
484.31302	3.6
491.33835	1.6
501.32095	100.0
502.32462	12.0
512.33246	0.8
519.33148	68.8
520.33374	6.7
537.34241	16.0
538.34540	1.9
611.36023	0.7
617.36627	3.9
633.36108	1.2
647.37988	3.0
648.38104	0.7
663.37219	3.9
665.38727	1.9
681.38190	1.4
683.39746	1.0
699.39233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05637	0.3
71.01379	0.6
71.05006	0.6
71.14585	0.3
73.02921	3.4
79.05498	2.5
81.03431	1.3
81.07052	2.0
83.05014	0.4
83.08625	0.6
85.02911	4.4
91.03963	3.1
91.05496	1.7
93.07046	2.7
93.56955	0.3
95.04986	1.0
95.08606	2.0
97.02891	4.7
97.03416	0.4
99.04484	0.5
101.02411	1.3
105.07048	1.1
107.08622	1.4
109.02922	0.6
109.10164	0.7
109.38666	0.3
113.06067	1.0
115.77483	0.4
119.08632	1.1
120.08958	0.3
121.10185	1.0
123.08068	0.3
127.03956	1.4
131.08583	0.6
145.05016	0.7
185.04289	0.7
193.88803	0.4
243.08310	2.1
335.26001	0.6
347.09561	1.7
349.19809	1.6
363.09085	1.0
365.10715	0.8
404.43390	0.4
405.13687	5.3
505.26154	0.3
519.29401	4.3
520.29828	0.7
567.27856	1.5
605.24377	0.4
681.34503	7.7
681.45483	0.5
682.35156	0.7
729.32538	1.7
735.20142	0.3
845.50403	1.2
883.46490	0.6
919.50031	0.6
1007.55359	100.0
1008.55670	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	1008.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.3
70.38025	0.7
70.38383	0.5
71.04996	0.8
79.05492	9.1
79.45955	0.3
81.03412	1.0
81.07039	0.6
85.02905	4.3
89.03927	0.9
90.04711	0.9
91.05472	3.8
93.03410	0.6
93.07056	0.7
95.04977	1.8
95.08594	0.6
97.02892	1.1
98.22706	0.4
102.04707	0.3
103.05470	9.3
105.07030	65.4
106.07371	2.2
107.04946	0.5
107.08593	0.8
108.02082	0.6
109.02860	0.8
109.10184	0.3
111.04446	0.8
115.05450	14.7
116.05706	0.3
117.06985	0.4
117.60026	0.3
118.04159	5.0
119.08580	1.4
121.10126	0.5
125.05975	0.4
127.03914	0.8
129.05507	0.6
131.04900	2.1
131.08559	1.0
132.05710	0.7
133.06491	59.9
134.06812	1.5
135.08063	0.3
141.05516	0.4
143.04919	1.1
143.06036	5.3
143.08505	0.9
144.09024	0.3
145.04941	1.0
145.06226	0.3
145.10106	1.2
147.11688	0.9
151.03909	26.4
151.04987	1.5
152.04201	0.6
155.08542	0.3
157.10109	1.0
159.11699	0.9
161.05975	100.0
162.06294	2.3
163.06026	0.4
169.05005	1.9
169.10173	0.4
171.11699	0.7
171.77600	0.3
173.13269	1.0
175.14731	0.4
183.11685	0.6
185.13232	1.6
187.14876	0.9
193.08601	77.8
194.08922	3.0
197.13245	0.4
199.14809	0.7
201.12691	0.4
203.14340	1.1
219.13728	0.3
229.15909	0.4
295.08038	1.2
313.09103	1.8
452.41443	0.3
454.29694	0.5
469.29019	0.4
471.31152	1.4
472.31299	1.0
483.30588	0.5
484.31146	0.4
487.30389	1.5
501.32236	2.2
502.32541	1.7
519.32941	1.1
520.33240	0.8
537.33630	0.4
957.69751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39209	3.8
71.04984	6.2
73.02921	2.2
79.05488	7.8
81.03419	6.2
81.07056	17.5
82.82276	1.4
83.04956	3.1
83.08611	6.3
85.02901	64.5
85.06549	2.1
91.03973	2.2
91.05460	11.4
93.07047	18.3
95.04981	2.7
95.08041	2.5
95.08607	31.9
97.02887	17.1
99.04477	2.1
103.05446	1.5
105.07030	24.8
106.44456	1.3
107.08594	32.8
109.02858	4.5
109.06525	2.6
109.10157	22.1
111.08081	1.6
115.05413	3.3
117.07021	5.0
119.08579	47.5
121.10140	26.7
123.08039	1.5
123.11684	8.0
125.05952	1.6
125.09602	2.1
127.03925	13.1
128.06256	1.7
129.05452	5.1
129.06990	3.3
130.07761	1.4
131.04991	1.5
131.08574	25.2
133.06537	1.5
133.10126	33.8
135.08044	3.5
135.11707	15.1
136.12064	1.5
137.05972	1.8
137.09624	3.1
137.13281	3.1
139.11203	1.9
142.07799	2.2
143.08519	10.6
145.04964	19.3
145.10118	43.9
147.08119	2.4
147.11691	18.0
149.13284	7.1
151.11086	2.7
155.08548	3.9
156.09320	3.6
157.10135	20.8
158.10831	2.4
159.11684	39.5
161.06000	2.5
161.09604	2.5
161.13260	19.4
163.06029	9.7
163.07436	3.0
163.11154	2.8
163.14775	10.0
164.91750	1.7
165.12817	1.9
169.10112	5.0
170.10901	5.5
171.11673	16.3
172.12505	2.7
173.09636	1.9
173.13255	21.1
175.11165	2.6
175.14821	16.5
177.12718	4.1
177.16377	15.9
183.11682	16.4
184.12187	1.9
185.13261	33.0
186.13815	1.5
187.14812	66.6
188.15218	2.9
189.09146	2.7
189.12773	2.0
189.16389	22.1
190.16705	1.6
191.14325	3.9
191.17966	5.2
193.15933	2.1
195.11659	2.1
197.13264	8.1
199.14822	29.7
201.16382	57.4
202.16814	2.0
203.14319	12.7
203.18027	8.8
205.15883	27.7
207.17383	9.0
209.13278	3.3
211.14827	6.5
213.12714	3.0
213.16338	11.0
215.14253	4.2
215.17975	9.4
217.12236	1.7
217.15875	8.3
217.19498	2.0
219.13881	2.0
219.17461	5.9
223.14787	3.6
223.16965	5.0
225.16406	4.3
227.14154	2.8
227.17978	7.1
229.15843	4.5
229.19551	3.8
231.13919	2.5
231.17445	2.3
233.15378	2.0
233.19057	1.9
237.16301	2.2
239.18045	4.4
241.19456	4.6
243.13945	1.4
245.15381	9.4
245.18983	1.9
247.17125	1.8
251.17984	2.6
253.19527	3.8
255.21037	3.0
259.16986	1.4
263.16394	3.4
265.19620	1.6
267.21036	4.7
269.22696	2.5
273.18472	2.4
279.21176	2.6
287.05438	4.0
299.20053	3.4
301.21722	2.1
313.21664	3.3
325.11295	3.9
378.46094	1.8
387.30234	8.3
389.32062	6.2
405.31522	40.6
406.31485	2.2
407.33185	15.5
411.28741	1.9
415.29987	2.8
421.30914	4.2
423.32532	20.4
425.34195	13.7
433.30923	22.6
439.31866	5.4
441.33740	10.9
451.32053	79.8
452.32391	4.6
455.31262	2.1
459.34488	3.4
467.31390	4.6
469.33121	100.0
470.33585	8.1
485.32498	6.9
487.34152	79.8
488.34268	5.0
503.33530	5.0
505.35214	11.4
506.35214	1.6
631.37195	1.9
649.39404	3.6
1009.33087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39209	3.8
71.04984	6.2
73.02921	2.2
79.05488	7.8
81.03419	6.2
81.07056	17.5
82.82276	1.4
83.04956	3.1
83.08611	6.3
85.02901	64.5
85.06549	2.1
91.03973	2.2
91.05460	11.4
93.07047	18.3
95.04981	2.7
95.08041	2.5
95.08607	31.9
97.02887	17.1
99.04477	2.1
103.05446	1.5
105.07030	24.8
106.44456	1.3
107.08594	32.8
109.02858	4.5
109.06525	2.6
109.10157	22.1
111.08081	1.6
115.05413	3.3
117.07021	5.0
119.08579	47.5
121.10140	26.7
123.08039	1.5
123.11684	8.0
125.05952	1.6
125.09602	2.1
127.03925	13.1
128.06256	1.7
129.05452	5.1
129.06990	3.3
130.07761	1.4
131.04991	1.5
131.08574	25.2
133.06537	1.5
133.10126	33.8
135.08044	3.5
135.11707	15.1
136.12064	1.5
137.05972	1.8
137.09624	3.1
137.13281	3.1
139.11203	1.9
142.07799	2.2
143.08519	10.6
145.04964	19.3
145.10118	43.9
147.08119	2.4
147.11691	18.0
149.13284	7.1
151.11086	2.7
155.08548	3.9
156.09320	3.6
157.10135	20.8
158.10831	2.4
159.11684	39.5
161.06000	2.5
161.09604	2.5
161.13260	19.4
163.06029	9.7
163.07436	3.0
163.11154	2.8
163.14775	10.0
164.91750	1.7
165.12817	1.9
169.10112	5.0
170.10901	5.5
171.11673	16.3
172.12505	2.7
173.09636	1.9
173.13255	21.1
175.11165	2.6
175.14821	16.5
177.12718	4.1
177.16377	15.9
183.11682	16.4
184.12187	1.9
185.13261	33.0
186.13815	1.5
187.14812	66.6
188.15218	2.9
189.09146	2.7
189.12773	2.0
189.16389	22.1
190.16705	1.6
191.14325	3.9
191.17966	5.2
193.15933	2.1
195.11659	2.1
197.13264	8.1
199.14822	29.7
201.16382	57.4
202.16814	2.0
203.14319	12.7
203.18027	8.8
205.15883	27.7
207.17383	9.0
209.13278	3.3
211.14827	6.5
213.12714	3.0
213.16338	11.0
215.14253	4.2
215.17975	9.4
217.12236	1.7
217.15875	8.3
217.19498	2.0
219.13881	2.0
219.17461	5.9
223.14787	3.6
223.16965	5.0
225.16406	4.3
227.14154	2.8
227.17978	7.1
229.15843	4.5
229.19551	3.8
231.13919	2.5
231.17445	2.3
233.15378	2.0
233.19057	1.9
237.16301	2.2
239.18045	4.4
241.19456	4.6
243.13945	1.4
245.15381	9.4
245.18983	1.9
247.17125	1.8
251.17984	2.6
253.19527	3.8
255.21037	3.0
259.16986	1.4
263.16394	3.4
265.19620	1.6
267.21036	4.7
269.22696	2.5
273.18472	2.4
279.21176	2.6
287.05438	4.0
299.20053	3.4
301.21722	2.1
313.21664	3.3
325.11295	3.9
378.46094	1.8
387.30234	8.3
389.32062	6.2
405.31522	40.6
406.31485	2.2
407.33185	15.5
411.28741	1.9
415.29987	2.8
421.30914	4.2
423.32532	20.4
425.34195	13.7
433.30923	22.6
439.31866	5.4
441.33740	10.9
451.32053	79.8
452.32391	4.6
455.31262	2.1
459.34488	3.4
467.31390	4.6
469.33121	100.0
470.33585	8.1
485.32498	6.9
487.34152	79.8
488.34268	5.0
503.33530	5.0
505.35214	11.4
506.35214	1.6
631.37195	1.9
649.39404	3.6
1009.33087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.8
71.01350	1.1
71.04996	52.8
73.02918	2.9
75.04480	5.1
79.05501	4.5
81.03406	2.5
81.07057	8.2
83.04984	11.4
83.08617	0.9
85.02906	100.0
85.06552	1.8
87.04462	2.2
91.05492	6.2
93.07047	8.4
95.04966	2.4
95.08615	10.8
97.02899	9.8
97.06551	1.7
97.10220	0.6
98.23446	1.2
99.04477	2.3
101.06031	1.5
103.05483	0.9
105.07034	19.7
107.08594	12.5
109.02893	2.8
109.06499	1.5
109.10154	6.3
111.04453	9.1
111.08105	1.9
115.05473	1.3
117.07014	2.6
119.08580	19.3
121.06538	2.1
121.10154	6.3
123.08078	2.3
123.11725	1.8
125.09632	1.1
127.03911	5.9
128.06197	1.1
129.05479	32.1
129.06917	3.2
130.07822	0.7
131.08575	18.3
133.06502	2.3
133.10133	9.2
135.08067	2.2
135.11736	3.1
137.09654	1.9
137.13223	1.3
141.07066	0.9
142.07791	2.3
143.08572	12.0
144.09393	0.9
145.04939	5.7
145.10129	28.2
146.10526	0.9
147.06511	17.2
147.08078	2.1
147.11682	7.7
147.62135	0.6
149.05981	0.7
149.09570	1.4
149.13264	3.7
151.03906	1.4
151.11209	1.0
153.07108	0.7
153.09134	0.8
153.12874	0.7
155.08554	1.9
156.09355	2.1
157.10130	13.6
158.10956	0.9
159.08099	1.7
159.11688	18.4
161.05989	4.9
161.09622	3.6
161.13261	7.1
163.06049	2.4
163.07365	0.8
163.11244	2.0
163.14851	4.3
165.12686	0.7
167.07266	0.8
168.09381	1.1
169.10066	3.5
170.10915	1.8
171.11687	8.3
172.12547	0.7
173.09650	0.9
173.13257	24.4
174.13557	0.9
175.11235	2.0
175.14821	10.0
177.12782	1.2
177.16348	4.3
179.14449	0.7
181.04953	0.7
181.10181	1.0
181.97380	0.6
182.10962	1.4
183.11700	6.9
185.13248	23.6
186.13602	0.8
187.14810	28.5
188.15178	1.4
189.09113	0.9
189.12718	3.4
189.16368	3.5
191.14317	4.7
191.18059	0.8
193.08540	3.5
193.15877	1.0
195.11655	0.8
197.13240	6.2
199.14822	19.2
200.15170	0.9
201.12721	2.7
201.16397	11.1
203.14314	14.7
203.17955	1.0
205.12357	0.8
205.15857	7.1
207.11734	0.7
209.13332	1.5
209.15172	0.8
211.14807	3.1
213.12810	0.8
213.16368	7.4
215.14323	2.4
215.17914	1.8
217.15834	7.3
219.13834	5.6
219.17496	1.8
221.15407	4.4
221.19109	0.6
223.14836	2.1
223.17035	1.9
225.16478	2.1
227.17905	1.7
229.15948	1.5
231.13853	1.9
231.17464	1.7
233.15347	1.4
233.19173	0.8
235.14958	0.9
235.17010	1.6
237.07597	1.1
237.16379	1.3
245.15483	2.6
247.17010	1.4
249.14932	0.9
249.18530	1.1
253.19658	1.0
255.08708	3.9
263.16464	1.2
265.19705	1.2
267.21255	1.0
273.09738	3.5
287.05475	2.1
301.19406	0.8
309.00055	0.7
309.11844	4.9
311.23611	1.0
317.22665	0.8
330.22644	0.6
363.26871	0.8
373.29025	0.8
375.30670	1.1
385.29041	1.4
391.29904	8.4
393.32028	1.0
403.30005	6.5
405.31522	1.6
409.31290	7.0
413.28958	0.9
419.29587	4.0
421.31055	8.3
423.32947	1.0
427.32153	1.9
431.29517	2.6
437.30447	12.5
437.98834	0.8
438.31210	0.8
439.32062	8.5
449.30615	10.4
450.31058	1.1
455.31592	19.6
456.32111	1.0
457.33090	6.4
467.31564	23.3
468.32291	1.6
473.32608	4.7
475.34302	2.4
485.32706	25.9
486.33148	1.0
503.33667	20.0
504.34201	1.1
521.34888	3.9
533.31085	1.2
870.69580	0.7
905.16229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.4
71.05010	0.5
73.02920	2.7
76.33161	0.2
79.05499	1.5
81.03411	1.2
81.07058	2.4
83.08626	0.4
85.02903	4.2
87.04462	0.4
91.03954	1.8
91.05489	1.1
93.07038	1.8
95.05014	0.4
95.08591	1.7
97.02901	4.5
97.03503	0.3
99.04482	0.7
101.02372	1.5
103.03978	0.2
105.07050	0.7
107.08598	0.9
109.02911	0.4
109.10203	0.7
109.92328	0.2
111.08152	0.2
115.03967	0.3
115.69523	0.2
117.07039	0.2
117.40137	0.2
119.08599	0.6
121.10196	0.5
127.03916	1.3
131.08609	0.4
133.10158	0.4
135.11696	0.3
145.04982	0.4
145.10144	0.2
147.11696	0.2
149.13292	0.3
185.04288	0.7
201.03821	0.2
203.05365	0.5
243.08424	1.7
259.07986	0.4
297.55600	0.2
335.25793	0.3
345.06677	0.2
347.09433	1.8
351.21503	1.2
355.40186	0.2
363.09164	0.8
365.10635	0.8
405.13693	4.6
406.14294	0.2
407.24136	0.3
415.32184	0.2
421.13333	0.2
425.21985	0.2
512.42139	0.2
519.29272	3.6
519.36322	0.2
520.29974	0.3
569.29321	2.6
587.26465	0.3
681.34534	7.3
682.35181	0.5
685.46509	0.3
731.34448	2.5
732.35168	0.3
753.36774	0.2
766.09399	0.2
847.51941	1.1
848.53473	0.2
1009.57001	100.0
1010.57324	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04872	0.6
56.05033	1.0
56.96556	4.8
58.96164	6.4
59.96181	0.8
60.95853	3.1
62.01001	0.7
69.74895	2.7
69.75279	1.4
71.95251	1.0
73.94859	1.6
82.99834	3.4
83.01526	1.3
84.01170	1.3
100.97189	4.4
100.98003	2.6
101.00880	34.2
101.02564	4.1
102.01018	1.3
102.02227	3.0
102.05588	0.7
108.44691	0.7
118.98199	2.3
118.99010	1.6
119.01920	100.0
119.03654	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24220	0.2
51.61250	0.3
52.16208	0.2
53.03718	0.2
53.03951	2.9
54.21739	0.2
54.87339	0.2
55.01867	1.0
55.05512	10.2
56.05033	1.8
56.96566	26.5
57.03437	3.4
57.07038	0.4
58.00576	0.4
58.06585	0.7
58.96168	10.0
58.99855	0.8
59.05005	2.1
59.93097	0.3
59.96180	1.4
60.04524	1.2
60.95857	2.5
61.02916	0.5
66.00546	0.2
67.05499	0.4
68.00278	1.4
68.02639	0.5
69.01042	0.6
69.03419	0.5
70.98117	2.3
70.99853	1.0
71.01355	1.4
71.04993	3.2
71.29611	0.3
71.29963	0.3
71.95268	3.6
73.02912	2.8
73.06557	0.8
73.94868	3.1
74.00247	0.8
74.02428	0.2
74.09713	0.6
74.97612	0.3
75.01034	0.9
75.37257	0.3
76.51605	0.4
77.00800	2.6
82.01434	0.5
82.01852	0.3
82.99831	2.5
83.00774	2.1
83.01527	0.7
83.04981	7.1
84.01584	0.6
84.04498	1.1
84.08143	0.6
84.96022	0.9
85.02902	3.2
85.06543	0.6
86.01283	0.4
88.99154	0.7
89.00827	1.0
90.01508	0.3
92.01295	1.0
98.01288	0.8
98.52704	0.2
98.97580	4.9
100.02504	1.3
100.97181	4.9
100.97993	2.5
101.00879	29.3
101.02393	3.5
101.06024	2.8
101.10771	0.5
101.97193	0.3
102.00916	1.6
102.02246	1.4
102.05539	1.1
102.09176	0.6
102.12804	1.6
104.28355	0.2
107.01819	0.4
110.97570	1.9
111.00418	0.4
115.02569	0.2
116.98611	1.8
117.58561	0.2
118.03527	1.2
118.98214	3.9
118.99053	1.7
119.01917	100.0
119.40447	0.2
119.96060	0.3
119.98239	0.4
119.99500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	1.1
71.04996	26.6
72.43783	0.7
73.02915	6.1
75.04480	2.0
79.05485	3.9
81.03427	1.8
81.07059	5.9
83.04984	32.9
83.08596	1.6
85.02908	18.9
87.04478	3.9
91.05482	5.9
93.07047	8.0
95.01283	0.7
95.04956	2.4
95.08607	17.1
97.02892	8.0
97.10177	1.7
99.04469	2.5
101.05977	0.9
102.89994	0.7
105.07027	13.7
107.04969	1.0
107.08601	10.4
109.02883	2.0
109.06545	2.0
109.10159	6.5
109.95596	0.7
111.04447	62.8
112.04733	0.9
113.02391	1.0
113.06016	11.9
115.03950	4.2
115.05479	1.1
117.05502	7.2
117.07017	4.0
119.08591	24.5
121.06513	2.3
121.10144	7.1
123.04457	0.8
123.08083	1.9
123.11720	1.2
125.06033	1.8
127.03951	2.4
128.06252	0.9
129.05486	44.6
129.07024	3.5
130.05774	0.9
131.08569	12.6
133.04938	0.8
133.06480	1.0
133.10141	10.7
135.08099	2.7
135.11674	6.0
137.09627	2.6
141.07008	0.9
142.07841	1.5
142.97192	0.7
143.08594	8.1
144.09268	0.9
145.10133	20.1
147.08009	4.0
147.11682	5.8
149.05981	1.2
149.09653	1.5
149.13261	3.3
151.07532	2.1
153.05461	2.6
155.08575	2.7
156.09335	1.3
157.10138	10.5
159.08069	1.5
159.11681	10.4
161.09650	3.8
161.13248	5.8
163.07603	1.2
163.11211	1.2
163.14827	3.8
169.10115	3.7
170.10855	2.4
171.06526	23.6
171.07991	1.7
171.11679	6.3
173.09596	2.1
173.13286	11.1
175.07545	1.1
175.11186	2.7
175.14839	6.4
177.12758	2.2
177.16377	1.9
181.04910	1.0
183.11700	4.8
185.09676	1.0
185.13287	8.9
187.11217	1.5
187.14819	43.8
188.15169	1.9
189.07584	67.8
189.12737	3.6
189.16362	6.9
190.07904	1.5
191.14323	3.3
195.06703	1.0
197.08195	0.8
197.13274	3.1
199.11212	1.5
199.14799	10.6
201.12700	2.8
201.16408	12.1
203.10507	1.0
203.14316	26.4
203.17810	1.7
204.14653	1.1
205.12137	1.2
205.15845	6.1
209.13219	1.1
211.14850	2.6
213.12730	1.6
213.16414	8.5
215.14371	4.6
215.17992	1.9
217.12262	0.8
217.15833	3.8
219.13785	2.2
219.17401	1.4
221.13411	1.0
223.14838	1.5
225.07594	2.0
225.16435	2.1
227.14253	1.2
227.17946	4.4
229.12294	1.3
229.15829	3.6
231.13840	3.0
233.15465	2.5
237.16435	0.8
239.18086	1.3
241.16061	0.9
241.19583	2.6
243.13814	1.7
245.15433	2.7
247.17027	1.5
253.19556	1.6
255.21307	1.1
257.19052	1.5
265.19528	0.9
267.20911	1.1
281.22543	1.7
295.20541	1.1
307.24237	2.0
309.25754	4.8
324.63034	0.9
325.25272	1.6
353.24728	1.4
357.71088	0.9
371.26291	1.7
373.29022	1.8
389.28329	3.8
391.29990	3.9
399.26773	1.0
405.27905	2.3
407.29379	5.8
409.30801	1.0
417.27887	2.5
419.29605	1.7
423.28961	2.5
425.31125	1.3
433.27243	1.3
435.29016	12.0
437.30011	1.9
445.27499	1.1
451.28659	3.9
453.30066	9.7
455.31613	23.3
456.31964	2.1
463.28342	3.5
469.29532	36.1
470.29971	4.0
471.31091	2.1
481.29520	9.6
487.30389	3.8
499.30548	23.3
500.31058	2.2
517.31610	100.0
518.32031	10.1
535.32605	4.0
542.43683	1.0
587.35699	2.1
601.33667	2.5
609.34326	4.1
610.34448	1.1
627.35480	4.2
628.36139	0.9
631.34515	1.4
649.35632	7.2
709.37842	0.9
945.16895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01354	1.1
71.04993	0.8
73.02924	2.9
79.05496	1.6
80.66434	0.2
81.03423	1.4
81.07059	2.4
83.04981	43.0
83.08617	0.5
84.05295	0.3
85.02905	100.0
85.81064	0.3
86.03247	1.2
87.04464	1.3
91.05478	2.5
93.07051	3.0
95.04964	1.3
95.08048	0.4
95.08610	6.3
97.02894	11.0
97.06556	0.4
99.04479	2.3
101.06021	0.9
103.05444	0.3
105.07023	4.1
107.04980	0.4
107.08599	4.4
109.02901	0.5
109.06512	1.1
109.10153	1.8
111.04444	35.8
111.08092	0.4
112.04768	0.6
113.06001	1.0
115.03950	3.1
115.05426	0.4
117.05481	0.7
117.07008	1.4
119.04942	0.3
119.08580	8.1
119.66772	0.3
121.06504	0.8
121.10141	2.3
121.77660	0.3
123.04449	0.5
123.08080	0.7
123.11729	0.5
125.05997	0.6
127.03910	6.1
129.05486	13.3
129.07016	1.2
130.07764	0.4
131.08569	4.6
133.06499	0.6
133.10152	3.5
135.08076	0.8
135.11751	1.8
137.05969	0.5
137.09605	1.3
139.03903	0.7
141.07016	0.3
142.07777	0.5
143.08571	3.2
145.10120	8.1
147.06490	0.5
147.08096	1.5
147.11691	1.9
149.06013	0.4
149.09605	0.9
149.13252	0.8
151.03850	0.3
151.07564	0.8
153.05466	1.3
155.06966	0.3
155.08533	1.2
156.09312	0.6
157.05038	0.4
157.10127	3.4
158.10852	0.4
159.08052	0.6
159.11681	3.8
161.05997	0.3
161.09642	0.7
161.13268	1.3
163.07655	0.4
163.11292	0.3
163.14865	1.3
165.09146	0.4
168.09279	0.4
169.10152	1.3
170.10910	0.6
171.06526	72.4
171.11571	2.2
172.06854	1.8
173.09709	0.6
173.13284	3.2
175.05983	0.6
175.07433	0.4
175.11186	0.9
175.14806	2.2
177.09138	0.4
177.12729	0.8
177.16406	0.6
179.06946	0.3
181.10091	0.5
182.10953	0.3
183.11697	2.0
185.09608	0.4
185.13254	2.5
187.11217	0.4
187.14821	13.2
188.15193	0.5
189.07582	42.8
189.12643	1.6
189.16307	2.1
190.07895	1.0
191.14297	0.9
195.11688	0.5
197.08049	0.4
197.09671	0.3
197.13269	0.9
199.05934	0.5
199.11075	0.5
199.14818	2.7
201.12808	0.5
201.16411	3.7
203.05553	0.5
203.10774	0.4
203.14301	9.4
203.17912	0.6
205.12193	0.4
205.15910	1.7
207.11699	0.5
209.13228	0.8
211.11211	0.4
211.14870	0.6
213.16443	2.5
215.14270	1.2
215.17921	0.6
217.12271	0.5
217.15842	1.8
219.13725	0.5
219.17371	0.3
225.07576	1.4
225.16360	0.9
227.17970	1.1
229.12093	0.5
229.15872	1.0
229.19450	0.3
231.13770	0.8
231.17401	0.7
233.15344	0.8
237.16518	0.5
239.17865	0.8
241.19490	0.8
243.08685	1.6
243.13745	0.5
245.15288	0.6
247.16872	0.5
249.14819	0.6
251.18082	0.4
253.19482	0.8
261.09683	2.0
261.14896	0.4
267.21045	0.4
279.20984	0.3
283.20267	0.3
285.09598	0.9
303.10675	1.9
307.24310	0.7
309.25684	1.4
321.11581	0.7
333.11868	0.7
353.24490	0.3
373.28937	0.5
389.28311	0.9
391.29941	1.2
405.27737	1.0
407.29556	1.7
409.30917	0.5
417.27890	1.1
419.29416	0.5
423.28717	1.0
425.30734	0.4
435.28925	3.2
437.30438	1.0
451.28439	1.4
453.30042	3.1
455.31558	8.4
456.31796	0.7
463.27939	1.1
469.29477	12.4
470.29550	1.1
471.31070	0.6
481.29575	2.5
487.30685	1.4
499.30573	8.3
500.30643	0.4
517.31610	34.0
518.31964	3.2
535.32489	1.0
602.43439	0.3
613.33124	0.4
619.35175	0.3
649.35577	1.7
659.16492	0.3
967.89795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	2.0
71.04993	36.4
73.02917	12.1
75.04483	1.7
79.05494	5.4
81.03418	2.1
81.07044	8.8
83.04983	45.6
83.08628	2.4
85.02903	28.9
87.04482	4.7
91.05476	9.4
93.07047	9.5
95.01321	2.2
95.04975	7.2
95.08036	2.3
95.08603	26.8
97.02908	10.6
97.06508	2.6
99.04459	3.9
105.07032	19.1
107.04958	1.6
107.08591	16.2
109.06531	2.5
109.10146	9.9
111.04444	59.5
113.06014	14.9
115.03934	6.8
117.05500	8.2
117.07022	3.7
119.08585	34.4
121.06503	4.2
121.10132	11.0
123.08051	4.4
123.11703	2.8
125.06023	2.2
127.03896	1.7
129.05479	62.5
129.06979	2.3
131.01224	1.5
131.08577	15.8
133.06532	1.5
133.10129	16.4
135.08049	3.8
135.11681	3.7
137.06000	1.6
137.09595	1.5
141.01831	7.4
143.08554	8.6
145.06537	1.3
145.10127	22.8
147.08076	4.2
147.11694	9.6
149.09641	2.5
149.13271	3.5
151.11205	1.5
153.05504	1.6
155.08537	2.9
156.09375	2.1
157.10078	10.1
157.76030	1.6
159.11705	14.6
161.09677	3.2
161.13266	8.9
163.04070	1.3
163.11156	2.7
163.14850	3.7
165.09018	1.4
169.10123	3.8
170.10971	1.7
171.06525	39.8
171.07988	2.5
171.11662	8.8
172.07001	2.2
173.13304	11.7
175.14801	8.8
177.12733	2.3
177.16399	1.4
181.04939	1.6
183.11671	3.8
185.13301	6.9
187.14824	34.0
189.07581	100.0
189.12741	5.6
189.14650	1.4
189.16284	7.8
190.07947	1.2
191.14337	2.4
195.11633	1.3
197.13255	3.9
199.14761	9.6
201.12775	1.3
201.16357	15.7
203.14311	27.1
203.18063	1.9
205.15950	7.5
207.11673	1.7
209.13306	1.8
211.14803	4.3
213.12718	1.5
213.16360	8.2
215.14311	5.4
215.17868	1.7
217.15918	8.6
219.17413	2.1
221.15303	1.6
225.16469	2.3
227.17952	2.5
229.15878	5.5
231.17415	2.9
233.15317	3.2
239.17934	2.2
241.19492	2.0
247.16953	3.2
253.19525	3.1
267.20944	1.7
347.10092	1.5
371.25848	1.4
391.29865	3.1
398.91452	1.5
403.30035	4.9
405.31360	3.4
409.31046	2.1
421.30789	7.3
423.32578	4.7
429.65598	1.4
431.29498	2.1
437.30524	4.8
439.32001	3.4
449.30493	9.9
455.31573	76.5
456.31827	4.4
467.31540	19.4
485.32617	82.5
486.32709	7.3
503.33701	54.6
504.34003	4.2
521.34845	10.8
587.35913	3.3
597.34479	1.4
617.36298	3.3
643.35095	6.8
661.35840	3.3
673.38654	1.5
679.36328	6.4
691.40100	4.2
697.37592	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	1018.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
70.83628	1.5
71.04983	2.0
72.81805	0.7
73.02887	0.7
74.78090	0.6
77.03934	1.6
78.04718	3.9
79.05498	7.3
81.03425	5.7
81.07069	1.9
82.04202	2.0
83.04987	2.0
85.01971	0.6
85.02894	6.8
89.03933	1.4
91.05488	12.4
92.02617	1.1
93.03389	2.5
93.07040	2.6
94.04202	1.6
95.04967	6.5
95.08578	1.2
97.02886	4.0
97.06520	2.8
99.04456	1.4
101.02442	0.7
102.04675	1.5
103.05470	17.4
105.03365	1.3
105.07034	7.7
106.04179	5.0
107.04951	8.2
107.08608	1.5
108.02078	0.9
108.05754	0.8
109.02879	1.4
109.06502	2.0
109.10150	0.8
110.03694	4.0
111.04440	6.7
115.05457	9.4
116.06249	1.0
117.03365	1.4
117.07034	9.3
118.04159	2.1
119.04971	3.2
119.08581	2.4
120.05725	0.8
121.02896	0.8
121.06505	6.1
122.03628	1.1
123.04433	9.8
123.08064	0.7
124.05247	3.6
125.02328	0.8
125.05982	6.0
127.03906	1.9
127.05415	1.0
128.06267	1.4
129.03362	1.5
129.05466	2.0
129.07001	2.3
130.04147	2.6
131.04932	14.3
131.08563	2.8
132.05721	1.5
133.02840	3.3
133.06483	8.3
134.03629	1.2
135.04398	2.2
135.08051	3.2
136.05228	1.1
137.05972	8.1
138.03133	2.1
139.03908	0.9
139.07565	1.9
142.02579	1.9
143.04898	1.9
143.05936	0.7
144.05663	1.5
145.06482	13.8
145.10094	1.3
146.03636	1.3
146.07195	1.2
147.04416	6.1
147.08067	4.2
147.11728	0.9
148.05223	6.9
149.05998	8.5
151.03882	3.0
151.07547	7.4
152.04709	2.6
153.05458	9.6
153.09010	0.8
155.04915	0.8
155.06006	4.0
155.07079	0.9
157.06512	1.3
157.10176	0.7
158.07288	1.1
159.04388	1.2
159.08020	3.8
160.05202	2.5
161.04738	1.4
161.05989	17.3
162.06668	7.1
163.03902	2.7
163.07550	12.3
164.08337	1.2
165.05472	9.9
165.09108	7.0
166.09868	1.1
167.07042	100.0
168.07425	1.3
169.06374	0.7
171.04396	0.7
171.06572	4.0
171.07848	0.9
172.05113	0.8
173.05980	20.2
174.06694	1.9
175.03944	1.1
175.07556	9.3
176.04770	1.8
176.08337	12.8
177.05484	14.7
177.07033	1.1
177.09084	7.4
178.06235	3.0
179.03403	1.6
179.06981	2.4
179.12592	0.7
181.04962	69.0
181.08476	1.9
182.05328	2.5
183.06506	1.4
186.06860	0.9
187.07539	4.3
187.14838	1.7
189.05435	2.3
189.07433	1.9
189.09068	3.2
190.06221	2.5
191.07034	29.8
192.07658	1.8
193.04958	3.2
193.08612	3.0
194.09380	0.9
195.06503	2.8
195.08112	1.3
198.06793	1.0
199.07539	1.4
201.05489	2.7
203.07031	4.8
203.14378	1.0
204.07744	1.0
205.08603	9.4
206.09181	0.8
207.06540	2.6
207.10193	2.8
209.08043	3.5
211.07597	1.4
217.08615	3.1
217.12012	0.8
217.15775	0.7
219.06470	1.9
219.08200	1.4
219.09985	4.2
221.06075	1.2
221.07968	1.3
223.07590	1.0
224.08325	1.0
225.07483	1.3
233.05977	1.5
233.08049	7.0
234.06755	0.8
234.08775	0.9
235.07532	1.6
235.09634	6.4
237.09111	0.9
237.11220	1.6
238.09811	0.8
239.07080	0.9
241.08472	1.4
246.29472	0.7
247.07448	1.6
247.09706	1.8
249.05461	0.9
249.09200	1.2
250.06233	0.8
251.06920	1.4
252.07887	1.6
253.08514	1.3
255.10143	1.0
261.09042	0.8
263.06906	0.9
263.09134	7.7
264.07751	1.3
265.08603	2.6
267.06717	1.3
267.10150	2.1
269.08136	1.0
269.11502	1.0
270.08929	1.0
271.05750	0.7
276.07748	0.8
277.08591	1.2
278.09134	0.8
279.06482	1.4
279.10260	1.9
280.07440	1.1
281.07993	2.4
282.08722	1.0
283.06360	0.8
283.09589	2.0
285.07492	1.0
287.05481	2.5
287.08777	0.9
292.07291	2.0
293.08151	3.0
294.08881	1.4
295.06467	0.8
295.09601	2.5
297.11191	1.8
298.08658	0.9
298.11880	1.4
299.09195	1.7
301.10727	1.1
304.07224	0.9
305.08035	1.5
307.09521	2.5
308.10117	1.1
309.11154	1.3
310.08426	1.6
311.09195	2.9
311.12830	0.8
313.10748	1.9
314.11295	0.9
319.09671	1.4
321.07526	1.2
322.08362	2.0
323.09094	2.4
324.09946	1.6
325.10696	3.4
326.11469	1.9
327.12073	1.6
329.10202	3.1
331.11679	1.1
335.09280	0.9
337.10806	3.5
338.11490	2.3
339.08380	1.0
339.12195	2.0
341.10083	2.1
343.11755	1.7
351.12521	1.4
353.10168	2.4
354.11127	4.5
355.11798	2.5
357.13394	4.3
367.11703	3.1
369.13516	4.4
370.13989	1.0
371.15100	1.0
381.13617	0.9
385.08276	1.2
385.12878	17.0
386.13126	1.1
387.14362	5.5
395.11057	1.4
397.12738	8.3
399.14252	2.7
403.13654	2.2
415.13708	4.2
416.14642	5.7
417.15457	63.0
418.15479	3.2
492.17966	1.1
517.31622	1.8
518.31866	1.7
547.18402	1.7
579.18616	1.3
601.19702	0.9
724.23444	0.8
737.26099	1.1
743.26202	3.8
755.27051	10.4
756.25995	1.4
773.27997	55.8
774.28687	6.1
785.27515	5.5
791.27997	1.8
803.29114	12.7
804.28302	1.0
821.30035	8.6
983.34351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	7.7
74.41196	2.6
79.05499	58.6
80.05836	3.5
81.03427	8.9
81.06586	7.4
81.07058	98.0
83.04983	5.8
83.08637	14.7
85.02920	8.9
91.03996	4.1
91.05489	49.5
93.07048	71.7
94.23154	2.9
95.04996	9.0
95.08616	56.0
95.09222	3.7
97.02904	9.0
97.06554	12.8
97.10199	7.3
105.07023	36.6
107.04971	4.7
107.08607	41.2
108.70926	3.5
109.06538	6.0
109.10154	30.2
111.08112	5.5
117.07024	18.1
119.08577	24.8
121.06541	7.7
121.10147	34.2
123.11716	7.2
126.21744	3.2
127.03945	3.5
129.05490	3.9
129.07028	9.2
131.08583	23.0
133.10127	25.7
135.08029	6.0
135.11734	17.1
143.08542	5.0
145.10164	16.8
147.11626	14.3
149.09703	6.1
149.13286	12.0
155.08606	3.9
157.10124	8.5
159.11668	15.8
161.13330	4.4
163.06001	4.2
163.14812	3.6
169.10130	5.1
169.11501	3.3
171.11691	6.7
173.11861	5.9
173.13342	10.8
179.14450	3.9
187.14763	4.3
191.14363	3.6
195.13875	5.7
201.16292	3.3
210.59966	3.4
227.12770	6.3
229.14439	24.0
243.21068	5.1
257.19125	6.5
261.22156	11.5
269.17520	23.6
275.20096	21.8
293.21384	3.1
294.32495	3.1
309.20920	4.3
335.25821	100.0
336.26123	3.8
349.23669	23.0
401.74860	3.3
453.24963	4.0
489.35742	19.8
529.38831	95.8
530.39160	6.8
569.42169	29.7
609.44989	47.4
610.45483	4.8
627.45508	6.4
641.47888	14.3
673.42871	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	1018.8067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08630	1.0
71.15625	0.9
79.05492	8.4
81.07058	27.4
83.08615	7.0
91.05479	9.4
93.07041	20.3
95.04983	6.5
95.08604	59.9
97.10166	4.6
105.07026	15.6
107.08597	38.9
109.06549	2.5
109.10158	46.5
111.11734	9.2
117.07025	3.9
119.08581	31.4
119.09432	1.4
121.06509	1.9
121.10145	38.4
123.08064	1.9
123.11713	17.7
125.09639	1.1
128.06261	1.6
129.07076	1.5
130.07866	1.1
131.08560	9.4
133.10132	23.5
135.08063	5.0
135.11696	28.2
137.09624	2.8
137.13261	9.2
139.11162	1.2
141.06973	1.2
143.08568	6.7
144.09377	1.7
145.10133	19.6
147.08020	1.4
147.11693	21.5
149.09637	3.5
149.13263	15.6
151.14824	11.4
155.08543	2.1
156.09404	2.0
157.10135	11.1
159.11699	18.5
161.09570	6.2
161.13219	9.0
163.11162	1.2
163.14880	6.5
163.63794	1.0
167.10693	2.1
168.44827	1.0
169.10126	4.6
170.10983	1.3
171.11691	10.9
173.13290	13.8
175.11258	3.1
175.14825	19.8
177.12793	1.2
177.16368	5.5
179.17947	2.2
183.11702	6.4
185.13251	10.2
187.14850	12.9
189.16388	25.7
191.17955	10.1
197.13248	5.8
199.14847	6.5
201.16396	5.5
203.14330	2.3
203.17943	7.7
205.15906	3.7
205.19513	37.6
205.21373	2.2
211.14809	4.9
213.16460	7.6
215.17957	6.0
217.15993	8.1
217.19513	8.0
219.17380	1.6
219.21075	2.2
225.16431	2.9
226.04301	1.1
227.17923	6.3
229.19537	4.6
231.17474	4.4
231.21094	3.3
239.17975	4.5
241.19484	8.5
243.21080	3.2
245.19051	1.1
245.22633	3.5
253.19518	8.1
255.21101	3.3
257.22787	1.4
265.18042	3.6
267.21088	6.7
269.22629	13.0
271.24402	1.0
273.25909	1.5
277.17993	4.4
281.22440	2.7
283.24161	3.7
287.20062	1.5
291.19388	1.7
295.24194	4.0
299.19949	1.3
299.23544	1.3
301.21579	5.7
301.25308	3.4
309.25610	2.0
313.21640	6.8
315.23248	1.2
320.73569	1.2
327.23431	5.6
355.26065	1.0
375.30148	1.3
390.32809	2.1
405.30112	1.7
405.35193	25.0
406.35703	1.8
423.36206	65.0
424.36563	2.7
465.37283	100.0
466.37668	5.2
483.38315	42.2
484.38586	3.2
500.40860	2.8
500.87378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05005	2.1
75.24660	0.8
79.05492	6.2
79.50647	1.0
81.03428	1.9
85.02914	7.8
86.09689	1.5
89.03918	5.1
90.04699	1.0
91.05473	3.7
95.04979	1.9
97.02886	1.7
97.40220	1.0
103.05482	6.7
105.07031	59.6
106.07381	2.7
107.04972	2.6
110.85463	0.9
115.05457	10.5
117.03374	3.0
118.04134	5.0
127.03917	2.1
131.04903	2.6
133.06491	49.2
134.06850	1.5
135.04405	6.4
137.05959	3.0
142.78426	0.9
143.04956	1.6
143.06061	3.3
145.02878	6.9
147.04373	0.9
151.07593	1.1
161.05986	100.0
162.06384	3.8
163.03908	64.4
164.04242	1.3
167.07094	1.2
181.05014	1.2
193.08607	68.4
194.08965	2.2
244.47929	0.9
310.99023	1.0
325.09198	4.7
355.11545	1.2
427.13074	1.1
533.30933	2.4
948.37219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02904	1.2
77.03944	1.4
77.34854	1.3
78.04701	2.7
79.05495	5.7
81.03423	4.6
81.07053	3.8
82.07454	1.2
83.04961	2.1
85.02895	5.9
89.03873	1.7
91.05489	15.6
93.03401	1.7
93.07043	3.0
94.04179	1.4
95.04966	5.2
95.08603	2.7
97.02902	3.1
97.06564	2.0
97.19971	1.2
99.04495	1.7
103.05461	12.3
105.03406	1.3
105.07039	11.0
106.04185	4.6
107.04964	8.2
107.08628	2.2
109.02870	3.4
109.06507	2.6
110.03683	2.4
111.04434	2.9
115.05484	6.3
117.06995	7.0
118.04165	2.2
119.04933	5.2
119.08571	3.1
121.06499	9.9
122.03629	1.6
123.00693	1.2
123.04433	8.2
124.05221	2.8
125.06004	3.0
127.03896	1.5
128.06285	1.7
129.06993	1.4
131.04935	13.9
133.02859	4.9
133.06496	5.7
134.03668	1.4
135.04431	3.1
135.08070	2.2
137.05978	15.5
142.02641	1.6
143.04852	1.2
144.05711	2.4
145.06502	16.4
147.04413	4.4
147.08072	3.7
148.05176	4.6
149.05984	9.8
151.03894	3.4
151.07552	8.4
152.04688	2.5
153.05478	5.6
153.06696	1.1
155.04922	1.4
155.06026	5.1
155.07089	1.7
157.06537	1.5
159.08072	3.3
160.05231	2.8
161.05995	13.2
161.09598	1.4
162.06664	1.6
163.03903	4.6
163.07561	11.5
165.05528	7.6
165.09119	1.8
167.07051	100.0
168.07410	5.0
169.12173	1.2
171.04366	1.3
171.06577	2.9
173.05977	20.7
174.06508	2.0
175.07527	6.9
176.08232	1.5
177.05504	11.2
177.09068	3.1
178.06056	1.6
179.07014	7.2
181.04965	55.0
181.06264	2.0
181.08585	4.3
182.05341	2.4
183.06599	1.8
184.28923	1.3
187.07576	3.7
188.08107	1.4
189.05551	1.7
189.07526	1.2
189.09155	1.9
190.06201	2.8
191.07037	26.6
191.08722	1.6
192.07765	1.6
193.08604	5.9
194.07390	1.8
195.06491	2.2
197.08112	6.5
201.05489	2.2
203.07034	6.4
205.08623	10.1
206.09012	1.4
207.06546	5.2
208.06976	1.5
209.08072	11.1
213.05376	1.4
217.08598	6.2
219.06367	1.4
219.08195	1.3
219.10138	2.6
221.08086	3.9
224.08432	1.4
229.08533	1.3
231.06427	2.3
233.07983	7.5
234.06754	1.5
235.07565	2.3
235.09471	6.1
235.13405	1.8
244.28778	1.4
247.09843	2.1
249.09036	1.9
249.11320	2.2
263.06781	2.1
263.09229	5.3
264.07675	2.0
265.08426	2.7
267.10123	1.6
277.08517	1.7
279.10007	1.5
287.05521	3.9
291.10141	1.6
293.08005	2.1
295.09262	1.7
297.11514	1.8
307.09360	2.5
310.08243	1.5
320.10278	2.0
325.10736	2.6
327.12363	2.5
330.10779	1.9
337.10547	1.6
339.12280	2.7
346.11279	1.3
355.11783	2.1
357.13455	10.2
367.11716	1.7
369.13174	3.1
383.15347	1.4
385.12839	13.5
387.14468	4.0
393.13727	1.2
397.12839	2.6
399.14352	2.9
401.15979	2.1
403.13873	1.6
415.13568	1.5
416.14731	6.6
417.15469	28.1
418.15817	3.9
419.16016	2.2
565.20801	16.4
577.20081	2.2
589.11237	1.4
595.21930	14.6
607.21527	1.4
613.22900	19.6
625.22614	3.8
727.26288	1.9
757.26727	4.0
774.27399	1.5
775.28455	39.3
776.28113	3.6
787.29431	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67619	1.7
70.67963	2.4
71.05004	1.4
78.04716	4.6
79.05496	7.5
81.03418	8.3
81.07045	4.6
83.04995	2.0
85.02908	11.0
87.00812	2.0
91.05479	11.6
93.03408	4.4
93.07037	3.8
95.04982	6.1
95.08607	5.0
97.02877	5.9
103.05474	12.6
105.01865	5.0
105.03396	1.3
105.07042	9.2
106.04180	9.1
107.04951	11.5
107.08622	3.0
109.02872	3.7
109.06504	2.5
109.10145	2.5
110.03645	1.6
111.04402	2.9
115.05448	8.4
117.07030	8.4
118.04153	2.0
119.04936	4.0
119.08607	2.3
121.06507	7.3
121.10145	1.2
122.03645	2.4
123.04435	10.1
124.05247	2.6
125.06004	4.4
125.98178	1.2
127.03928	6.5
129.07036	1.9
131.04947	9.5
131.79143	1.3
133.02809	5.7
133.06494	5.5
134.03609	2.2
135.04419	4.6
135.08052	1.5
135.11717	1.6
137.05995	13.1
140.04761	1.3
142.02646	2.1
143.04993	1.3
144.05666	2.7
145.04979	1.7
145.06483	13.8
147.04391	6.1
147.08058	2.9
148.05173	4.0
149.05992	13.2
149.13354	1.4
151.03906	3.9
151.07530	6.3
152.04741	2.4
153.05484	4.1
153.09082	2.9
155.06021	4.2
155.07150	1.6
159.04454	1.2
160.05150	2.3
161.05986	7.9
162.06583	1.3
163.03969	2.8
163.07501	5.5
165.05458	5.9
165.09171	1.4
166.06145	1.4
167.07039	100.0
168.07410	5.1
171.06570	2.8
173.06027	20.2
174.06595	1.7
175.07527	5.5
176.04712	2.3
176.08388	1.6
177.05443	10.6
177.09140	1.5
179.07008	5.6
181.04955	57.0
181.08499	6.8
182.05341	3.7
187.07535	2.9
189.05513	1.9
189.09109	2.3
190.06180	3.3
191.07019	24.2
192.07376	2.3
193.04793	1.7
193.08652	7.3
195.06517	2.1
197.08121	3.3
198.06784	1.8
199.90047	1.2
201.05478	3.1
203.07013	6.6
205.08592	11.5
207.06471	3.7
207.10194	1.5
209.08083	41.0
217.08644	4.4
219.10172	1.7
221.08067	2.4
229.08586	1.4
231.04927	1.9
233.08073	6.8
235.07689	1.3
235.09673	7.7
236.08209	1.4
241.08591	1.5
247.09535	2.7
249.05986	1.9
255.10114	1.5
263.09201	5.8
265.10651	1.5
277.08435	1.3
279.10025	1.6
287.05585	2.7
294.09015	1.7
295.09509	2.7
308.10223	1.6
310.08304	1.8
311.09201	1.7
313.10489	1.4
314.11212	1.4
325.10712	3.1
327.12213	3.5
339.12122	1.6
339.24509	1.3
355.11581	2.1
357.13348	12.8
358.13501	1.5
369.13461	1.9
385.12750	9.8
386.13187	1.8
387.14151	5.4
399.14056	2.2
415.13715	3.6
416.14655	12.7
417.15442	42.1
418.15808	8.8
419.16245	1.5
565.20685	26.8
566.20935	1.7
577.20496	3.3
595.21674	9.2
613.22559	3.8
625.23065	1.7
643.23743	16.1
757.27655	1.5
774.28137	1.9
775.28394	14.1
787.27850	1.7
805.28656	7.6
815.23932	1.5
823.30878	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	55.0
71.31038	1.5
73.02907	2.4
75.04482	5.7
79.05489	4.5
81.03413	3.1
81.07069	6.2
83.04984	16.3
85.02906	100.0
86.03239	1.2
87.04460	2.2
91.05480	4.8
93.07052	6.4
95.04945	1.6
95.08618	6.1
97.02893	10.1
99.04481	1.9
103.03988	1.1
105.07047	12.7
107.04968	1.5
107.08615	5.9
109.02872	3.0
109.10156	4.0
111.04451	17.7
117.07026	4.9
119.08575	9.4
121.06527	2.2
121.10168	4.0
123.08021	1.1
127.03922	8.4
128.06209	1.4
129.05486	36.4
129.07010	3.7
130.07761	2.1
131.08556	12.3
133.06541	1.6
133.10167	6.9
134.95433	0.9
135.08052	1.9
135.11691	2.2
137.05975	1.4
141.06995	1.3
142.07791	2.9
143.08551	11.0
145.04964	5.9
145.10115	20.3
146.08252	1.0
147.06526	24.1
147.07907	2.1
147.11700	4.5
149.05978	2.1
149.09695	1.0
153.05525	1.3
155.08578	5.1
156.09355	3.7
157.10147	13.0
159.08083	1.4
159.11684	11.5
161.06009	1.7
161.09622	6.7
161.11917	1.1
161.13260	3.5
163.06062	2.2
163.07396	1.1
163.11095	1.1
165.07649	1.2
166.08702	1.7
168.09436	1.1
169.10139	6.8
170.10963	2.0
171.11694	7.8
173.09669	1.3
173.13258	15.0
175.07541	1.7
175.11241	2.6
175.14842	3.1
177.12704	1.2
180.09348	1.3
181.04985	1.4
181.10057	1.6
183.11722	8.5
185.09633	1.9
185.13257	25.1
187.11241	3.2
187.14804	10.8
189.12766	6.6
191.14278	6.4
195.11716	2.3
197.08112	1.2
197.13287	8.6
199.11215	2.0
199.14830	13.0
201.12773	5.6
201.16409	4.6
201.18028	1.1
203.10661	2.0
203.14305	14.7
205.12311	2.4
209.13216	1.9
211.14857	3.5
213.12753	1.3
213.16307	2.1
215.10692	1.5
215.14368	3.0
217.12375	2.3
217.15828	4.7
219.13789	7.9
223.14857	2.2
225.07686	1.5
227.14287	2.2
229.12215	1.2
229.15848	1.3
231.13777	3.6
233.15460	2.1
235.13148	1.1
237.07555	1.2
239.18024	1.2
245.15430	1.7
249.14844	1.2
253.19470	1.0
255.08708	5.0
257.15372	1.2
261.14856	1.2
263.16266	1.7
273.09683	3.3
277.19510	1.3
280.37717	1.0
309.11688	6.8
343.24368	1.0
369.24994	1.0
385.24777	1.1
387.26425	2.3
398.50705	0.9
400.57416	1.0
403.26288	4.2
405.27853	3.1
407.29495	1.3
415.26273	2.8
421.27332	4.0
423.28894	1.7
431.25888	1.1
433.27289	6.3
435.29004	2.3
439.28317	2.9
449.26935	5.0
451.28528	9.7
453.30035	2.4
461.26593	2.9
467.27991	9.1
469.29486	10.2
471.31161	5.7
479.27823	7.8
485.28973	13.6
487.30350	8.2
488.31033	1.3
497.28812	13.2
498.28955	1.6
503.30038	2.0
515.30042	33.5
516.30280	3.5
533.31116	83.4
534.31287	6.5
569.70306	1.0
625.33624	1.8
643.34546	3.3
679.36011	1.2
695.35199	1.3
829.38495	1.1
894.25922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04994	14.7
71.31042	2.2
73.02935	2.2
79.05462	3.5
81.07066	5.7
83.04979	7.1
83.08591	1.7
85.02907	25.6
91.05495	6.4
93.07056	6.2
95.04990	2.7
95.08598	14.2
97.02905	3.0
103.05467	1.5
103.80981	1.3
105.07018	10.2
107.08601	9.0
109.10180	3.7
111.04453	7.0
115.05464	1.5
117.07030	2.8
119.07757	2.0
119.08575	15.5
121.06551	1.9
121.10178	4.4
121.90152	1.4
125.80654	1.5
127.03935	1.8
129.05528	7.3
131.04976	2.3
131.08554	10.0
133.06479	2.6
133.10117	7.2
135.08061	3.7
135.11725	4.4
137.05998	3.4
137.09674	2.5
143.08574	5.1
145.10115	13.9
147.06526	3.5
147.08038	2.4
147.11691	5.2
147.19720	1.5
149.06032	1.6
149.09665	2.1
149.13242	2.3
155.07080	1.5
155.08534	1.7
157.10127	4.9
159.08073	1.9
159.11710	6.7
161.05957	2.8
161.09650	2.7
161.13295	2.6
163.07590	2.5
163.14758	1.7
167.07057	3.8
169.10089	2.2
171.11723	2.5
172.63631	1.7
173.13272	7.1
175.14806	3.1
177.05478	2.9
177.16420	2.6
181.04919	1.7
181.08722	1.9
183.11717	2.0
185.13210	3.5
187.11258	1.7
187.14828	25.3
189.12854	4.3
189.16415	3.6
191.07024	4.3
191.14362	2.9
197.13243	3.1
199.14882	5.2
201.16418	6.7
203.14282	20.1
205.15857	3.8
209.08128	3.8
213.16402	3.6
215.14357	2.4
217.15903	3.9
219.13887	2.5
239.17860	3.2
249.11246	2.3
253.19540	2.4
309.11624	2.2
309.25864	3.8
389.28531	2.3
391.29831	2.0
393.53207	1.7
399.14301	1.7
401.15613	2.1
405.27786	2.5
407.29288	2.9
417.27985	4.1
419.29385	1.9
435.29056	7.2
437.30902	1.7
451.28326	1.8
453.29767	5.8
455.31546	18.6
469.29565	25.0
470.29898	3.5
481.29510	4.8
487.30383	3.3
499.24036	2.3
499.30676	15.5
517.31573	100.0
518.32147	7.2
535.32568	6.3
567.22351	2.2
619.11981	1.7
661.35626	3.9
679.36578	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	1023.5871
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.4
71.05013	1.0
73.02920	3.2
76.60170	0.3
79.05495	2.5
79.05822	0.2
79.68968	0.4
81.03441	1.2
81.07063	3.2
81.07481	0.4
83.08648	0.5
83.34118	0.3
84.51563	0.3
85.02914	4.9
87.04456	0.5
91.03959	2.3
91.05492	2.2
92.05909	0.4
93.07069	1.6
93.12923	0.3
95.05009	0.5
95.08619	1.6
97.02898	4.8
97.03417	0.4
97.06519	0.5
98.22557	0.4
99.04492	1.1
101.02393	1.7
103.03963	0.4
105.07041	1.6
107.08626	0.8
109.02894	0.4
109.10199	0.8
115.03947	0.3
119.08602	0.6
121.10195	1.3
127.03979	1.2
131.08586	0.5
133.10214	0.4
135.07959	0.4
135.11723	0.5
159.11819	0.5
185.04312	1.1
201.03792	0.4
203.05363	0.9
243.08389	2.3
347.09421	2.0
363.09128	1.0
365.10715	1.1
365.22983	2.3
405.13687	5.6
468.79813	0.3
519.29022	3.6
583.31061	2.6
676.92596	0.3
681.34631	10.2
682.35284	0.9
704.65204	0.5
745.36371	4.4
853.45502	0.5
861.53546	1.8
897.48120	1.2
1023.58594	100.0
1024.58801	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.7
51.02388	5.5
53.03951	27.9
54.04291	0.5
55.01875	1.6
58.06600	1.9
60.08170	16.4
60.95863	5.5
63.63511	0.4
64.19138	0.4
69.03415	0.9
69.33118	0.8
69.33516	1.8
75.94550	1.5
76.58688	0.5
77.03519	0.8
77.03935	9.0
77.04340	0.3
81.03423	2.8
87.04479	1.0
95.04975	35.6
96.05317	1.3
98.23383	0.9
102.04695	6.2
102.96863	2.8
103.05475	100.0
104.05811	3.8
104.10748	28.5
105.04523	16.9
120.97928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
51.02381	3.3
53.03949	23.8
54.04282	0.5
55.01861	1.0
60.08155	1.0
60.95861	0.8
68.55078	0.2
69.77412	1.0
77.03933	5.5
81.03415	3.1
87.04484	0.4
95.04969	28.4
96.05292	0.6
102.04681	4.6
102.96877	0.3
103.05469	100.0
104.05799	4.7
104.10740	1.5
105.04516	11.9
106.04839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.1
51.02380	4.1
53.03949	29.0
54.90564	0.4
55.01872	1.4
55.50312	0.4
58.06602	0.4
58.87446	0.4
60.08161	2.3
60.95856	2.1
69.03407	0.5
69.35426	2.8
74.53248	0.5
77.03932	6.3
78.04247	0.5
81.03420	2.8
87.04456	1.3
95.04969	30.5
96.05300	0.9
98.23335	0.9
102.04688	5.3
102.96859	1.1
103.05471	100.0
104.05775	4.0
104.10759	4.0
105.04517	12.7
120.97944	0.8
121.85104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.1
51.02382	3.1
53.03948	23.4
55.01880	0.7
57.03447	0.4
58.06591	1.2
60.08168	5.0
60.95853	2.9
63.02950	0.3
69.03431	0.8
71.30672	0.4
75.94541	0.8
77.03933	4.9
81.03411	2.3
87.04494	0.7
95.04969	28.1
96.05318	0.7
96.38125	0.3
102.04687	5.5
102.96846	1.2
103.05469	100.0
104.05798	4.3
104.10743	9.5
105.04520	12.5
106.04758	0.4
113.54723	0.4
120.97901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
79.74648	0.2
89.03929	0.2
90.84323	0.2
103.05486	0.2
104.68691	0.2
105.07050	0.5
108.78344	0.2
118.96039	0.2
120.87394	0.2
124.51639	0.2
132.89984	0.2
133.06520	0.6
135.04405	1.6
137.02315	0.3
137.05936	0.3
146.05965	0.3
153.01819	3.7
161.02351	0.5
161.05989	1.0
167.07021	0.4
171.02824	0.4
171.08022	0.2
179.03494	0.2
181.04999	0.2
193.08615	0.8
241.04886	0.3
249.11121	0.3
287.05496	100.0
288.05811	4.9
315.13504	0.4
333.14639	0.3
449.10861	7.3
450.10989	0.4
595.24323	0.2
845.68933	0.2
1031.35522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02929	3.2
79.05476	3.5
81.03428	2.6
81.07063	4.6
83.04984	45.6
85.02908	100.0
87.04458	2.2
91.05495	5.2
93.07054	4.9
95.04958	3.0
95.08614	23.3
97.02891	16.6
99.04472	4.2
105.07024	5.8
107.04970	2.5
107.08607	6.1
109.10152	4.0
110.32758	1.8
111.04441	44.2
113.06048	2.3
115.03938	4.9
119.08585	6.3
121.06513	3.4
125.06010	2.4
127.03899	8.4
129.05484	16.2
131.08603	5.3
133.06509	3.0
133.10086	4.1
135.11684	2.1
137.09631	5.4
143.08513	2.7
145.10152	4.3
147.08046	4.3
147.11691	2.3
157.10123	2.7
159.11736	3.2
161.09578	1.9
167.07092	4.0
169.10095	1.8
171.06531	86.3
171.11673	3.0
173.13272	3.7
187.14873	2.6
189.07585	57.3
191.14279	2.7
203.14334	27.7
205.15907	3.2
215.14354	6.0
217.15915	5.2
243.08900	2.9
261.09891	3.5
269.15863	1.8
285.09537	2.0
287.05499	5.6
303.10904	3.2
321.11765	2.3
365.02692	1.9
370.42285	1.8
389.28479	2.1
407.29184	3.1
409.31100	8.6
421.27176	3.0
423.29111	18.6
451.28409	6.9
453.29959	17.4
467.27942	6.0
471.31070	24.0
497.28937	7.7
515.30048	72.3
516.30243	6.4
533.30920	6.7
588.06659	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	1034.8028
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	3.2
81.07062	12.9
83.08610	4.3
85.06540	1.4
91.05467	3.3
93.07050	11.3
95.05006	1.2
95.08608	36.2
96.08911	0.9
97.10179	3.5
99.08092	4.0
105.07022	9.6
107.08591	19.1
109.06542	0.8
109.10154	13.3
111.11720	15.9
113.09648	0.8
119.08582	20.8
121.10144	20.2
121.67983	0.6
122.10477	0.8
123.11712	5.9
123.14992	0.8
131.08577	1.1
133.10147	10.5
135.08046	1.8
135.11700	22.1
136.12033	1.1
137.13286	0.8
139.07527	2.3
145.10109	2.2
147.11690	10.8
149.13231	2.4
153.09158	3.6
157.09998	0.9
159.11664	1.6
161.09662	1.1
161.13182	3.2
163.14816	1.4
165.09103	2.3
167.10626	1.2
171.11713	1.1
175.11226	1.0
175.14815	1.7
176.12254	0.7
179.10681	1.7
185.13251	1.3
187.14838	1.2
187.98431	0.7
189.16388	42.7
190.16655	1.6
191.17949	40.3
192.18292	1.5
203.17969	5.5
205.19493	0.8
207.13832	1.0
207.17400	1.0
209.19005	100.0
210.19325	4.3
213.16319	0.8
217.16162	0.7
231.17392	4.6
241.19485	0.7
249.18498	54.4
250.18832	2.5
250.21513	1.3
263.20087	3.4
269.22607	0.8
291.19534	2.5
309.20523	4.2
421.34714	1.0
423.36172	3.4
439.35782	4.9
440.35919	1.3
457.36493	1.3
465.37283	2.4
499.37775	2.9
517.39453	1.4
842.96790	0.7
995.26984	0.9
1025.74585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1038.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04482	2.5
79.05488	3.1
81.03433	1.7
81.07066	6.3
83.04964	9.1
84.12198	1.8
85.02903	38.2
87.02460	1.6
91.05494	7.6
91.12324	1.7
93.07047	7.3
95.04993	2.6
95.08611	8.4
97.02917	5.4
98.23305	3.6
105.07035	14.8
107.04964	2.0
107.08595	8.2
109.02876	2.2
109.10172	5.8
111.04447	4.8
117.07032	6.8
117.72166	1.6
119.08577	12.1
121.10152	2.4
127.03918	2.5
128.06197	2.1
129.05464	8.8
129.07005	2.1
131.08571	15.1
133.06517	2.7
133.10139	9.0
135.08081	4.0
135.11736	3.6
137.05989	2.1
137.09587	1.8
141.07004	2.8
142.07814	4.0
142.41238	1.8
143.08542	14.7
145.06508	2.1
145.10110	20.8
147.06540	5.5
147.08017	2.3
147.11687	7.6
153.05519	3.8
153.06947	1.9
155.08563	4.4
156.09366	2.1
157.10149	14.9
159.08150	3.2
159.11687	11.4
161.06018	5.6
161.09668	4.0
161.13284	5.0
161.30934	1.6
163.11160	2.3
165.09158	2.0
169.10149	7.0
170.10884	2.7
171.11688	11.6
173.13263	14.2
175.11208	4.0
175.14803	3.4
177.12726	2.9
183.11688	12.8
185.09535	3.4
185.13260	34.6
187.11209	6.0
187.14754	16.2
189.12709	8.2
191.14316	5.4
195.11734	1.9
197.08043	2.5
197.13269	7.3
199.11244	1.6
199.14815	14.1
201.12813	5.5
201.16425	5.3
203.10727	3.3
203.14290	15.1
205.12189	4.2
205.15939	1.8
209.13200	2.4
211.14839	3.9
213.12700	2.6
215.14337	3.9
217.12360	2.3
217.15898	6.3
219.13904	5.1
221.13266	2.9
223.14851	3.4
225.16360	2.4
229.15894	1.8
231.13890	2.5
245.15366	3.1
299.17899	1.8
387.26614	2.3
389.28717	1.8
403.26306	5.2
405.27969	3.9
415.26279	3.0
421.27408	4.9
423.28668	2.4
433.27356	7.2
439.28506	2.8
449.26724	6.8
451.28534	7.5
467.27994	17.9
469.29538	9.5
471.31104	14.2
479.27997	5.0
485.29004	31.0
486.29486	3.3
487.30383	5.1
497.29013	11.5
503.29822	7.0
515.30078	26.7
533.31091	100.0
534.31329	9.5
551.32104	6.7
643.34033	2.3
652.25952	1.8
661.34949	1.9
677.36047	1.8
695.35980	6.3
787.59924	1.8
898.27026	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03872	0.1
58.06601	5.8
59.07380	2.0
60.08165	54.9
60.71669	0.2
61.01156	0.5
61.08505	0.9
65.44126	0.1
69.03426	1.1
70.59944	0.2
70.76678	0.3
86.06061	0.5
87.04474	2.2
102.71140	0.2
104.10744	100.0
105.10450	0.1
105.11066	2.6
109.54297	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	6.4
59.07383	2.1
60.08163	56.9
61.08499	0.8
69.03435	0.7
70.32682	0.4
70.64346	0.2
75.49172	0.2
86.06057	0.3
86.09710	0.2
87.04476	0.9
92.44627	0.2
104.10741	100.0
105.10413	0.2
105.11065	2.5
112.15011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	22.4
64.92805	33.2
69.22172	88.0
70.62331	13.9
75.41895	12.7
79.05489	72.8
79.25468	12.5
81.48999	14.0
82.00897	12.5
84.50549	14.6
95.04993	34.6
98.22536	20.1
98.92856	14.4
103.05479	38.0
104.90887	14.3
105.04532	19.1
105.07045	100.0
105.11069	14.4
106.06541	76.4
110.58878	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	1043.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
79.52241	0.2
81.65079	0.2
85.02893	0.5
103.05447	0.3
105.07066	0.2
108.84934	0.2
135.04375	1.2
137.02347	0.4
137.06029	0.4
153.01839	3.9
161.02359	0.4
161.05988	0.5
171.02855	0.3
241.04868	0.5
269.04364	0.4
287.05490	100.0
288.05832	5.1
409.15488	0.2
449.10904	2.3
480.39102	0.2
595.16705	1.6
748.38593	0.3
867.08972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.9
51.02380	11.8
53.03949	77.4
54.04279	1.1
55.01867	3.3
60.77480	0.7
65.03937	1.0
68.99803	0.8
77.03934	21.4
79.05495	59.5
80.05817	2.0
81.03414	7.9
87.00835	3.3
95.04971	87.9
96.05325	2.0
103.05472	37.2
104.05779	1.0
105.03392	44.8
105.04517	39.8
105.07031	100.0
106.03709	1.5
106.04883	0.9
106.06680	0.8
106.07340	4.2
118.06564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.9
51.02380	2.7
53.03951	17.5
55.01873	0.8
62.05311	0.5
62.77473	0.5
62.77797	0.5
65.03934	0.8
65.98827	0.5
70.02855	1.2
70.03246	1.0
77.03919	4.3
79.05495	56.6
80.05827	1.1
81.03424	1.8
82.17756	0.5
87.00834	7.8
87.71488	0.5
91.15585	0.5
95.04362	1.0
95.04972	19.7
103.05473	33.8
104.05803	1.2
105.03452	2.9
105.04530	8.9
105.07031	100.0
106.06693	0.6
106.07377	4.3
106.71671	0.5
120.56748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
51.02376	2.4
53.03947	14.0
55.01879	0.7
57.05119	0.4
58.21389	0.4
62.97272	0.4
65.03933	1.7
70.58785	1.0
70.59129	0.7
71.50671	0.4
77.03922	3.7
79.05493	52.0
80.05836	2.5
81.03414	1.5
87.00829	9.3
89.83259	0.4
91.05450	0.7
95.04362	0.8
95.04970	15.6
103.05468	34.8
104.05761	0.9
105.04533	6.8
105.07029	100.0
106.06702	0.7
106.07360	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	2.3
53.03711	1.0
53.03947	15.7
65.03942	8.8
71.30871	0.9
77.03924	4.8
79.05495	54.8
81.03394	1.4
95.04967	18.2
95.50343	0.6
103.05473	35.2
104.05797	1.7
105.04539	6.8
105.07032	100.0
105.30130	0.7
106.06560	1.6
106.07361	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	1.3
50.95342	0.7
51.02372	2.1
53.03715	1.2
53.03948	17.8
53.04329	0.7
55.01842	1.1
60.04526	0.7
60.44242	0.7
65.03931	1.0
76.65172	0.8
77.03931	4.2
78.04731	1.2
79.05497	60.6
80.05848	1.8
81.03416	1.3
87.00836	3.1
95.04971	18.3
97.08145	0.7
103.05472	37.3
104.05797	1.5
105.03433	1.4
105.04550	7.4
105.07034	100.0
105.52168	0.7
106.06559	3.5
106.07374	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	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01600	0.9
51.02377	1.9
53.03952	14.7
55.01864	0.8
56.53235	0.6
65.03947	6.6
70.14352	2.4
77.03932	3.5
79.05499	51.8
80.05819	1.3
81.03413	2.0
82.72320	0.6
87.00830	2.3
95.04974	16.8
96.05309	0.8
98.22724	0.8
103.05479	33.4
104.05793	1.2
105.04533	7.8
105.07037	100.0
105.96930	0.6
106.06573	3.0
106.07381	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.7
51.02386	2.1
53.03951	12.7
54.04295	0.5
55.01890	0.6
59.04984	0.3
65.03947	2.0
70.77357	0.2
71.30484	0.2
75.11062	0.2
77.03927	3.6
78.04709	0.5
79.05495	55.0
79.52893	0.2
80.05833	1.8
81.03420	1.6
81.06818	0.2
84.99944	0.2
87.00835	1.1
91.05476	0.3
95.04973	16.1
96.05298	0.4
103.05473	32.9
104.05721	1.3
104.26443	0.2
105.03397	0.6
105.04536	7.0
105.07034	100.0
106.06624	0.4
106.07362	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.5
51.02385	2.5
53.03949	13.9
55.01871	0.8
65.03947	1.7
69.06369	2.9
73.47302	0.3
77.03932	3.5
78.41444	0.3
79.05494	55.7
79.23360	0.3
80.05829	1.4
81.03429	1.7
87.00828	1.5
95.04972	15.2
96.05296	0.6
102.04749	0.3
103.05470	33.3
104.05770	1.0
105.04534	6.6
105.07031	100.0
106.06640	0.6
106.07355	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.8
51.02377	2.2
53.03948	17.4
55.01870	0.6
65.03941	1.3
70.61222	0.6
70.61550	0.8
71.68182	0.5
77.03936	4.5
78.04715	0.5
79.05492	55.5
80.05817	1.7
81.03413	1.2
87.00830	3.3
91.05471	1.0
95.04969	18.8
96.05318	0.7
103.05470	33.7
104.05756	1.1
104.06370	0.5
105.03414	1.2
105.04527	7.9
105.07029	100.0
106.06638	0.8
106.07352	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01266	0.5
50.01595	0.6
51.02388	2.6
53.03952	15.5
55.01876	0.8
56.02559	0.5
65.03924	1.8
68.81112	0.6
71.29892	1.0
71.30248	0.5
77.03932	4.1
79.05495	57.7
80.05837	1.2
81.03431	1.5
87.00842	4.1
87.56957	0.5
91.53581	0.5
95.04971	16.5
103.05474	32.6
104.05783	1.2
105.03407	1.4
105.04533	8.9
105.07034	100.0
105.58526	0.5
106.06585	1.4
106.07374	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	1050.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	0.2
78.04264	0.1
78.04710	2.6
79.05491	1.4
81.03403	0.1
81.07037	0.2
81.45824	0.1
82.04179	0.1
85.02896	0.4
89.03899	0.1
91.05467	0.5
93.03397	0.2
93.07048	0.1
94.04185	0.1
95.04977	0.6
96.05751	0.1
97.02873	0.2
103.05462	0.6
105.03368	0.3
105.04504	0.2
105.07029	3.1
105.07742	0.1
106.04163	1.3
106.07355	0.1
107.04955	1.9
109.02864	0.2
110.03648	0.1
115.05435	1.3
116.06255	0.2
117.07012	0.9
118.04132	0.2
118.96912	0.1
121.06512	0.3
122.03612	0.4
123.04424	5.9
124.05225	1.9
125.05962	0.1
127.03915	0.2
128.06192	0.6
129.07062	0.2
131.04918	0.3
132.05682	0.1
133.06488	3.3
134.03610	0.3
135.04440	0.1
137.02269	0.1
137.05977	0.4
138.03041	0.1
139.07536	0.1
141.06993	0.2
143.04941	0.2
143.06059	0.3
143.08566	0.5
143.15231	0.1
144.05733	0.6
145.04942	0.2
145.06490	1.8
147.04375	0.1
149.05974	0.2
151.03883	1.0
152.04692	1.9
152.05991	0.1
153.06995	0.3
155.06065	0.5
156.05661	0.1
161.05975	6.5
162.06404	0.2
163.06056	0.1
163.07407	0.1
166.06230	0.1
167.07031	100.0
168.04181	0.2
168.07373	3.1
169.06459	0.2
171.08066	0.8
172.05208	0.1
173.05972	1.8
181.08620	1.4
184.05156	0.1
187.07568	0.6
190.06271	0.4
191.07034	0.3
192.07738	0.1
193.08592	8.1
194.08920	0.2
199.07530	1.2
201.05557	0.1
205.08592	7.8
206.08981	0.3
215.08655	0.1
216.07771	0.1
217.08588	0.5
218.07274	0.1
219.08122	0.1
219.10150	1.6
220.10483	0.2
231.10141	4.2
232.10545	0.2
233.09631	0.2
246.06705	0.1
260.08292	0.1
261.09143	0.4
263.06860	0.1
265.12305	0.1
278.09390	0.2
289.08609	0.2
293.11621	0.4
293.70282	0.1
295.09665	0.1
307.09750	0.1
310.11905	0.1
317.16977	0.1
321.11212	0.6
322.11533	0.1
325.10992	0.1
325.14389	0.5
338.11325	0.1
339.11911	0.1
353.13782	3.3
354.14346	0.4
357.13614	0.1
370.14197	0.3
385.16434	17.3
386.16766	1.2
443.99146	0.1
461.90564	0.1
547.21777	0.4
605.51819	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	1050.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02914	0.6
77.03927	0.8
78.04711	4.0
79.05487	4.7
81.03405	3.2
81.07059	0.6
82.04207	1.2
82.85056	0.6
85.02905	4.3
89.03917	2.0
91.04973	0.7
91.05490	10.1
93.03398	3.5
93.07059	2.0
94.04166	0.9
95.04968	6.4
97.02878	2.1
97.06540	1.1
99.04456	0.8
100.11230	0.6
103.05459	5.6
103.59808	0.7
105.03381	1.8
105.04470	0.8
105.07031	5.8
106.04176	5.2
107.04961	11.6
108.05752	1.0
109.06510	1.1
110.03651	1.8
111.04461	1.6
115.05445	7.1
117.03381	0.8
117.07014	7.2
118.04196	1.6
119.04993	3.2
120.05718	1.1
121.06523	6.8
122.03652	1.0
123.04432	8.1
124.05234	3.9
125.06008	2.9
127.03905	1.4
129.06993	0.7
130.04099	0.7
130.42618	0.7
131.04933	6.4
131.08575	0.7
132.05716	1.2
133.02834	1.4
133.06505	4.6
134.03618	2.3
135.04388	3.0
136.05197	2.2
137.05960	6.6
138.03159	1.1
139.07616	0.9
140.04707	0.9
143.04892	1.2
144.05714	1.1
145.06494	12.2
147.04413	2.2
147.08044	1.7
148.05191	3.6
149.05992	9.9
151.03889	3.1
151.07550	6.3
152.04691	2.5
153.05481	3.0
153.09077	1.9
155.06033	3.4
155.07103	0.8
156.05627	0.9
158.07242	1.2
159.04395	1.8
159.08026	1.8
160.05164	2.5
161.05989	9.2
163.03896	6.5
163.07584	3.8
164.04639	1.1
165.05493	7.1
166.06198	1.4
167.07040	100.0
168.07401	2.8
171.06500	2.2
172.05177	0.6
173.05984	19.3
174.06673	1.0
175.03868	0.7
175.07523	4.0
176.04707	0.7
177.05446	9.5
177.09077	0.7
179.06984	3.8
181.04961	54.9
181.08463	5.3
182.05391	1.2
183.06522	2.4
187.07445	1.6
188.08319	1.1
189.05501	1.3
189.09116	1.8
190.06229	3.6
191.07001	12.4
192.07761	0.8
193.04985	1.0
193.08632	8.3
195.06540	2.1
197.08075	3.2
198.06815	1.3
201.05516	1.5
202.06279	0.9
203.07016	6.3
205.04694	1.6
205.08603	8.8
206.08943	0.6
207.06509	3.2
207.10022	1.0
208.07036	0.8
209.08086	26.8
210.08525	1.3
210.14824	0.7
217.08566	3.5
218.07411	0.7
219.06396	1.9
219.08261	1.0
219.10107	1.4
220.07297	1.1
221.08076	2.6
222.08679	0.8
223.07474	0.7
225.07530	1.5
229.64220	0.6
233.08055	6.5
234.08804	0.9
235.07587	1.3
235.09642	6.3
239.07101	0.9
245.08006	1.0
247.09630	1.9
250.06105	0.8
253.08498	1.6
259.09671	1.2
263.06702	0.8
263.09140	2.4
265.08435	1.3
265.10904	1.1
267.10205	0.9
279.09991	0.9
287.05475	1.0
291.10196	1.2
293.08099	1.5
295.09326	0.8
297.11108	1.5
299.09213	1.0
309.10974	0.8
310.08383	1.2
313.10910	0.8
325.10516	1.4
326.11459	0.8
327.11823	0.7
329.10153	1.0
329.13770	1.5
337.10895	0.8
353.09875	1.1
355.11682	1.8
357.13272	5.3
359.11246	2.1
367.11758	1.3
369.13303	2.8
385.12793	10.6
386.13608	1.0
387.09726	0.9
387.14377	10.7
397.12805	1.3
398.13770	0.9
399.14178	1.9
401.16278	1.2
415.13904	4.7
416.14642	24.3
417.15399	35.3
418.15750	1.8
425.15878	0.7
565.20538	0.9
577.19354	0.9
595.21716	70.9
596.22046	6.5
607.21411	3.0
625.22833	3.8
643.23804	30.2
644.23773	2.5
805.29077	11.4
806.29138	1.2
964.94849	0.9
1050.34106	2.3
1051.35229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.7972
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05471	2.7
81.07047	8.4
83.08630	2.2
91.05497	2.8
93.07051	9.3
94.09881	0.8
95.08607	31.3
97.10183	4.3
99.08092	3.9
102.37061	0.9
105.07047	7.0
106.26118	0.9
107.08593	14.5
109.10161	11.3
111.11718	14.9
119.07773	1.7
119.08577	19.2
121.10147	16.8
123.11690	4.9
131.08563	1.3
133.10123	7.8
133.11768	1.1
135.11690	17.6
137.13222	1.1
139.07526	2.7
145.10074	1.4
147.11688	8.1
149.13226	2.9
153.09091	4.7
161.13251	1.6
165.05652	1.0
165.09058	2.9
175.14752	1.6
179.10727	2.1
187.14812	1.6
189.16389	39.7
190.16814	1.6
191.17932	41.1
192.18240	2.3
193.12164	1.2
203.17978	5.2
207.13814	1.1
209.19003	100.0
210.19351	3.8
213.16460	1.1
227.27963	1.0
231.17432	4.7
249.18510	51.9
250.18790	2.9
250.21460	1.8
261.37634	1.0
263.20062	2.6
291.19455	3.9
309.20541	4.4
439.35577	3.3
457.36719	2.7
499.37738	1.6
517.38892	1.2
1038.06042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03893	0.7
79.05495	7.9
81.03434	1.2
89.03908	3.0
90.04710	1.8
91.05466	3.2
95.04971	1.9
97.02911	0.8
102.04704	1.6
103.05466	10.4
105.03420	0.5
105.07030	59.9
106.07374	1.5
107.04963	1.1
109.02892	0.8
115.05451	14.8
115.06261	0.8
117.03386	1.6
118.04162	6.0
119.04937	1.6
121.06516	0.8
124.05209	0.9
130.04167	3.4
130.60120	0.5
131.04913	5.7
131.13974	0.5
132.05745	0.5
133.02847	3.1
133.06491	55.0
134.06825	1.5
135.04398	3.7
137.05952	4.1
143.04918	1.5
143.06047	5.0
145.02861	1.8
146.03612	1.6
147.04411	6.4
149.05983	3.7
150.06757	6.0
161.05980	100.0
162.06764	16.0
163.03914	6.5
163.07542	2.4
175.07471	0.4
177.05463	3.9
178.06195	1.2
179.06995	0.5
181.04988	0.8
187.03925	1.1
193.08600	63.6
194.08919	2.4
206.80495	0.5
207.08063	0.7
233.05827	0.8
235.07483	0.8
251.79335	0.5
263.07071	0.7
287.05511	0.8
291.06482	3.2
293.07944	0.8
311.09070	1.7
323.09094	7.0
341.10211	26.0
342.10483	1.4
359.11261	1.2
460.19644	0.5
497.61374	0.6
503.15634	1.1
521.16309	1.5
538.57996	0.5
976.51953	0.6
1046.94995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.7521
Annotation	Unknow
Peak:m/z	Relative Intensity
75.21067	0.1
83.01121	0.3
83.08614	0.2
96.51449	0.1
119.08598	0.2
121.10158	0.2
134.06961	0.1
149.05804	0.2
229.15614	3.0
230.16386	5.2
231.17189	5.1
232.17618	0.2
247.16766	0.5
248.17474	0.4
249.18323	0.6
262.15417	0.5
270.18454	0.2
271.16559	0.2
271.19058	0.3
272.17303	0.2
272.19965	0.4
273.18222	0.4
287.19751	0.7
331.18781	9.8
332.19171	0.5
333.20398	0.7
349.19843	1.3
351.21417	0.9
372.21524	0.5
375.22198	0.1
462.54608	0.2
479.35086	0.6
537.35468	0.2
538.35986	0.7
539.37042	100.0
540.37372	10.3
557.38153	3.6
558.38647	0.3
580.39685	6.4
581.39825	0.9
586.38184	0.2
646.12231	0.2
896.00476	0.2
1055.74597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
98.52314	0.4
103.22348	0.4
105.17579	0.4
108.03107	0.4
128.36577	0.4
167.07016	0.8
175.03667	8.1
176.04521	0.7
181.05060	0.6
203.03297	0.4
204.04068	0.8
205.04726	16.5
206.05150	0.5
217.04858	0.4
218.05515	7.9
219.06262	1.1
231.06425	0.9
232.07082	6.4
233.07645	0.4
249.07483	1.2
317.50607	0.4
415.13602	5.1
416.14194	0.7
427.14035	1.6
429.15231	8.5
430.15927	0.5
439.13760	0.8
440.14767	1.7
441.15231	0.5
445.15121	1.2
451.14081	0.7
452.14474	3.4
453.15488	1.8
466.16354	1.2
635.21326	1.2
648.21698	0.5
649.22522	14.9
650.22565	1.1
661.22186	0.6
663.24341	2.0
665.21680	0.6
666.22955	0.7
679.23645	10.2
680.24341	0.9
693.24701	0.6
709.24182	0.5
740.82458	0.4
862.29797	3.0
863.30762	1.5
1059.38232	100.0
1060.38562	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	1059.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
79.15329	0.4
119.30974	0.4
132.78941	0.4
162.45345	0.4
167.07095	0.5
175.03671	7.7
176.04561	1.0
203.03278	1.1
204.04065	0.9
205.04739	15.7
217.04951	1.0
218.05495	7.7
219.06404	0.9
220.88985	0.5
231.06444	1.2
232.07045	7.0
233.07735	0.7
236.29454	0.4
245.07970	0.8
249.07503	1.3
259.23898	0.5
415.13620	5.8
423.14163	0.6
427.13971	1.4
429.15216	8.0
429.20840	0.6
430.15750	0.8
439.13852	0.9
440.14682	1.9
441.15399	0.7
445.14746	0.8
452.14322	4.2
453.15372	1.7
466.15994	0.7
530.18585	0.5
621.19574	0.7
635.21271	1.1
636.22137	0.6
637.23035	1.1
649.22522	18.0
650.23389	1.6
661.22662	0.6
663.24615	2.2
665.22247	0.6
679.23621	11.0
680.24298	1.2
693.25153	0.6
821.25061	0.5
862.29938	3.9
863.31061	1.5
1059.38245	100.0
1060.38696	17.1
1090.60742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.7111
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07076	1.0
95.08630	1.4
128.49686	0.7
140.90955	0.7
142.22466	0.6
195.05122	0.8
199.97295	0.7
202.82382	0.7
219.98335	0.7
243.47336	0.8
281.78342	0.9
307.37585	0.8
464.96185	0.8
481.32687	4.3
541.35004	100.0
542.35382	6.8
582.37585	4.6
768.87091	1.0
835.99536	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.402
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04713	1.9
79.05488	2.3
80.81565	0.7
81.03451	0.7
85.02928	3.1
91.05482	5.9
94.04205	1.4
95.04922	0.8
97.02905	0.8
103.05468	2.5
105.03363	1.2
105.07029	5.0
106.04176	1.1
107.04962	5.8
115.05439	2.0
117.07007	2.6
119.04931	6.3
121.06517	0.9
122.03633	2.6
123.04449	5.6
124.05206	1.3
128.06204	1.0
129.07001	3.6
130.04213	0.7
131.04921	4.7
132.05789	1.1
133.06508	4.8
135.04488	0.8
137.05980	45.9
138.06343	1.1
140.04675	1.5
145.04906	1.0
145.06506	8.4
147.04411	19.8
149.05998	1.9
151.03912	1.0
151.07553	2.3
152.04729	1.5
153.05466	2.0
155.07050	1.2
157.06578	1.2
160.05249	1.0
161.05975	20.5
162.06352	0.7
163.07520	2.4
165.05513	1.4
167.07045	100.0
168.07410	2.1
173.05984	17.8
175.07498	1.6
177.05441	0.9
178.07817	1.3
179.07043	6.6
179.08498	1.0
180.07739	1.3
185.05991	5.6
190.07672	1.2
191.07036	8.9
191.08592	1.9
192.07742	1.2
193.08612	6.0
202.07858	0.9
203.06990	4.5
203.08572	1.7
207.08032	1.0
209.08069	1.9
215.08565	1.1
218.07251	1.5
219.08038	4.2
220.08594	1.0
221.07901	1.2
221.09726	1.3
223.07463	0.8
223.09625	1.4
231.08080	2.2
234.06786	1.5
235.07484	1.2
236.08401	0.8
237.09067	1.1
246.06874	1.1
247.07573	2.6
249.09155	3.0
251.07016	0.8
251.10687	1.6
259.07364	0.9
261.08984	1.5
263.06955	0.9
265.08600	1.2
267.10254	1.9
269.08112	1.2
275.07047	2.0
277.08673	3.4
279.06659	0.6
279.10141	3.0
281.11667	1.3
282.95175	0.9
293.08124	1.2
294.08969	1.4
295.09619	4.4
296.10284	1.1
297.11200	9.2
307.09662	3.2
309.11230	4.6
311.09366	0.7
312.09900	6.2
315.12286	2.1
321.11401	1.0
325.10684	1.0
327.12280	27.0
328.12674	1.6
330.11069	1.2
339.12274	11.4
345.13354	11.7
346.13794	0.9
357.13327	16.3
358.13602	1.4
375.14401	8.0
448.64761	0.7
674.21252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
76.03111	0.2
77.03944	0.6
79.05497	8.1
79.05967	0.5
81.03403	1.3
84.39798	0.2
85.02911	0.5
89.03909	2.0
90.04712	1.1
91.05483	7.4
91.85235	0.2
92.02598	0.3
95.04971	2.4
97.02894	0.5
102.04694	0.2
103.05472	10.8
104.30782	0.2
105.04548	0.7
105.07034	62.7
106.07374	1.8
107.04973	0.6
109.02876	0.4
115.05460	16.2
116.05740	0.3
118.04166	6.8
119.04949	7.9
127.03928	0.3
131.04935	2.2
132.02045	0.4
132.05699	0.6
133.06496	58.8
134.06842	1.4
143.04915	1.0
143.06032	4.9
146.03560	0.3
147.04420	7.7
148.04852	0.2
149.02321	0.3
149.06020	0.5
157.03979	0.9
159.04285	0.2
161.05981	100.0
162.06332	3.1
163.03922	0.3
164.04631	0.4
174.03082	0.2
175.03914	12.0
176.04277	0.2
178.06262	0.3
179.07004	0.4
181.04816	0.2
192.04179	0.4
193.08614	74.2
194.08904	2.3
199.71997	0.3
201.30951	0.2
207.06532	29.6
208.06898	0.7
225.07552	0.8
271.09570	0.2
351.10654	1.1
369.11801	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	1068.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03935	0.7
79.05495	8.0
81.03419	1.1
85.02891	0.9
89.03912	6.3
90.04709	1.3
91.05497	4.4
95.04967	2.0
103.05473	9.1
105.07034	57.1
105.32211	0.5
106.04144	0.7
106.07367	2.7
107.04963	0.8
109.02904	0.6
115.05453	14.4
117.03385	12.0
118.04183	5.2
119.04949	2.4
127.03934	0.7
131.04924	2.3
132.05652	0.7
133.02859	2.0
133.06497	53.2
134.06825	1.8
135.04407	1.4
137.05986	4.5
143.04924	1.5
143.06068	4.8
145.02856	26.9
146.03230	0.9
147.04391	2.8
149.05975	5.2
161.05986	100.0
162.06348	4.2
163.03902	0.7
167.07030	1.1
173.05977	1.2
175.03934	2.0
175.07561	0.6
177.05473	40.0
178.05884	1.2
179.07018	3.9
191.08568	0.6
193.08612	65.2
194.08980	3.5
201.05467	4.0
207.06548	0.7
217.08691	0.7
231.06461	0.7
245.08153	0.7
305.08127	0.7
321.09988	0.8
325.10635	7.6
337.10675	2.6
355.11713	4.1
373.12903	6.6
487.16635	0.6
535.17737	1.2
619.65961	0.6
671.62170	0.8
781.07751	0.6
828.91388	0.6
854.68402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01593	1.3
51.02380	3.7
51.17396	0.3
53.00294	0.3
53.03946	29.4
54.04278	0.7
55.01875	2.9
62.82188	0.3
64.53374	0.3
65.03941	3.9
66.07648	0.2
67.05499	1.0
68.77316	0.2
69.27620	0.8
69.28033	1.3
77.03465	0.4
77.03925	7.4
78.04720	0.4
79.05492	85.2
80.05029	3.9
80.05819	2.9
80.42370	0.2
81.03412	4.4
91.05478	26.5
92.05790	0.8
92.06284	0.8
93.05766	0.3
95.04966	42.3
96.04491	1.2
96.05319	1.2
105.04514	17.8
105.06374	0.5
105.07030	7.2
106.04190	0.4
106.04852	0.6
107.04952	100.0
107.08589	6.1
108.04474	3.4
108.05282	3.6
108.08110	1.0
108.08867	0.3
109.06515	2.9
119.06088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01594	0.2
51.02399	0.1
53.03950	1.3
55.01880	0.7
55.05506	0.2
63.02365	0.4
65.03941	14.4
66.04266	0.3
67.05506	2.0
68.28217	0.1
73.59098	0.2
75.23749	0.1
77.03909	0.3
79.05495	12.9
80.05025	1.1
80.05824	0.5
80.06260	0.1
81.03427	0.1
90.04713	0.1
91.05482	100.0
92.05803	2.9
92.06276	2.6
93.05788	0.2
95.04963	2.0
96.04474	0.4
96.28654	0.1
103.05460	0.6
105.04582	0.7
105.07030	29.9
106.04172	0.6
106.06690	0.2
106.07368	1.3
107.04955	4.3
107.08593	27.9
108.04499	1.1
108.08112	0.5
108.08926	1.3
109.06519	11.5
110.06852	0.4
119.06069	8.4
120.06429	0.3
124.05186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
75.34328	1.1
79.05504	7.3
81.03418	7.0
81.07059	13.1
83.05003	1.6
83.07325	1.2
83.08633	11.9
84.08143	2.0
85.02914	19.7
85.06553	1.6
86.06075	52.6
87.04450	1.7
91.05455	2.6
93.07053	11.5
95.01339	12.0
95.08619	6.8
96.08105	3.4
97.02895	12.0
97.06557	5.3
97.10158	1.5
98.09698	17.3
99.04446	2.6
99.08103	16.4
105.07038	1.4
107.08597	9.8
108.08138	2.2
109.02894	6.6
109.06520	1.1
109.10176	5.4
111.08087	4.5
113.02370	4.2
114.09162	1.6
116.10739	97.5
121.10132	5.8
122.09667	3.4
123.11712	2.4
124.07574	1.9
125.09681	2.0
127.03929	10.0
129.01878	1.6
129.09140	1.3
135.11700	2.8
141.01836	18.3
142.12297	3.8
143.10748	6.3
145.04984	3.6
149.13269	22.6
159.11708	4.6
166.15970	1.6
167.14337	9.9
167.79240	1.2
195.13826	3.5
196.16969	5.1
214.18030	63.2
215.18399	2.7
231.15933	20.7
238.18027	1.3
239.16457	2.8
243.12421	2.1
257.17462	1.4
261.13370	6.0
268.22467	1.2
274.21613	1.7
287.05356	1.8
292.22705	4.1
296.91861	1.1
310.23767	13.6
328.25046	1.6
353.16129	2.4
371.16977	9.0
376.23468	8.7
408.31259	1.5
415.19345	3.1
427.71234	1.1
432.70627	1.2
468.25815	8.2
486.27029	55.4
487.27283	1.7
538.28308	5.4
566.32715	4.7
584.34314	18.4
585.34229	2.5
630.31396	2.5
648.32269	100.0
649.32166	6.7
728.37952	8.4
732.10822	1.2
746.39587	53.8
747.39667	3.9
761.91968	1.1
810.23730	1.4
810.37561	25.8
908.44684	19.7
909.45490	1.6
972.42938	10.2
973.42889	2.3
1070.50476	10.2
1071.51868	2.0
1092.08289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1082.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03952	0.8
79.05492	10.8
81.03438	1.6
81.07056	1.0
83.04979	0.8
85.02901	0.8
89.03893	2.0
90.04696	1.4
91.05484	4.1
92.02626	0.3
93.07027	0.3
95.04977	3.1
95.08609	0.8
97.02888	0.7
97.06544	0.8
98.23370	0.6
99.04448	0.9
102.04697	0.5
103.05468	10.9
104.06303	0.3
105.04524	1.0
105.07030	61.4
106.07352	1.8
107.04953	4.6
107.08609	0.7
109.02898	0.9
109.06525	0.7
109.10156	7.5
110.04138	0.3
111.04466	0.6
115.05451	14.6
116.05794	0.6
117.07033	0.7
118.04158	5.9
119.04935	0.3
119.08578	1.8
121.06528	0.6
125.06018	0.4
127.03877	0.4
128.06209	2.3
129.07018	1.2
131.04922	2.2
131.08597	0.4
132.05705	0.8
133.06491	53.6
133.10126	2.4
134.06824	1.5
135.08057	0.5
137.06067	0.3
137.09615	12.1
143.04907	0.9
143.06044	5.0
143.07121	0.3
143.08565	3.9
145.06470	0.5
145.10135	0.6
146.07301	1.0
147.08043	4.6
149.06070	0.3
161.05978	100.0
161.09601	21.4
162.06332	3.3
162.09958	0.7
163.07538	0.3
163.11253	0.6
165.09119	16.9
166.09515	0.3
171.08070	0.3
174.06776	0.4
178.26250	0.3
179.10654	1.6
189.09105	1.5
193.08604	80.7
194.08934	3.2
197.11745	0.5
207.10165	14.9
208.10451	0.5
225.11211	10.8
226.11574	0.5
243.12212	0.8
301.10599	0.3
351.14310	0.5
369.15454	1.5
387.16431	3.7
495.37259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02388	0.8
53.03951	12.9
54.04295	0.3
55.01874	0.6
64.05899	0.3
65.03949	0.4
67.04250	0.4
67.05508	1.6
67.22140	0.2
68.05025	0.3
70.45083	0.4
70.45448	0.5
79.05518	0.5
81.03423	100.0
81.07059	0.7
82.03757	2.9
82.06575	1.3
83.06143	0.2
88.84223	0.2
91.05484	0.3
92.05048	0.2
94.04199	0.2
109.02885	24.8
109.06522	0.5
109.07635	1.6
109.10173	0.7
110.03217	1.1
110.06052	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	109.0649
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02378	0.8
53.00319	0.4
53.03947	15.6
54.04282	0.5
55.01875	5.2
55.05510	10.5
65.03942	7.5
65.26493	0.3
66.04734	0.9
66.46535	0.3
67.05504	100.0
68.05838	2.6
69.07068	6.0
69.30065	1.9
70.68591	0.3
79.05492	41.3
80.05827	0.9
80.06283	1.0
81.03419	17.6
81.07056	52.6
82.03755	0.4
82.06615	0.5
82.07384	1.6
91.05482	9.0
94.04188	4.5
94.07813	1.5
95.04974	1.4
105.04524	0.7
105.07053	0.5
107.04955	1.7
107.08595	3.6
108.05256	0.3
109.02190	0.2
109.02881	6.5
109.06518	55.2
109.10153	44.6
110.06046	1.6
110.06858	1.6
110.10468	1.7
111.14700	0.3
115.06264	0.3
119.06054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00306	0.5
53.03950	6.3
55.01876	2.6
55.05235	0.5
55.05514	12.2
65.03944	5.9
66.04727	1.4
67.05508	100.0
68.05833	2.7
68.06078	0.3
69.07072	7.7
70.47171	0.8
75.06387	0.4
77.24152	0.3
79.05497	27.7
80.05840	0.7
80.06290	1.1
81.03419	5.7
81.07059	44.4
82.06580	1.6
82.07396	1.2
91.05486	4.5
94.04202	2.3
94.07835	1.7
95.04984	0.7
105.04506	0.3
105.07021	0.5
107.04962	0.7
107.08601	4.3
109.02901	2.5
109.06525	29.2
109.07606	1.9
109.10159	48.6
110.06042	4.7
110.06864	1.1
110.10487	2.8
110.42161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03955	1.1
55.05512	9.9
65.03947	3.3
67.05510	100.0
68.05848	2.4
69.07068	7.5
69.73573	1.0
79.05490	9.6
80.05032	0.9
81.06581	1.7
81.07061	32.8
82.07366	1.3
94.07806	1.7
107.08601	3.5
109.06549	1.8
109.07671	4.3
109.10166	48.6
110.06030	8.0
110.07182	1.8
110.10489	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	0.4
53.00311	0.4
53.03946	11.8
54.04284	0.9
55.01873	2.4
55.05510	11.2
63.89714	0.4
65.03940	8.4
66.04717	1.1
67.05504	100.0
68.05835	3.2
69.03429	0.8
69.07066	6.8
70.04449	1.3
79.05494	27.7
79.78614	0.4
80.05029	0.4
80.05854	0.6
80.06278	1.5
81.02922	0.5
81.03065	0.3
81.03418	17.0
81.07056	49.2
82.03703	0.4
82.06582	1.6
82.07389	1.1
91.05474	8.2
92.05819	0.4
93.06155	0.5
94.04188	11.0
94.07832	1.3
95.04997	0.8
106.39463	0.4
107.04949	4.2
107.08595	3.4
109.02881	6.7
109.06519	29.2
109.07601	2.3
109.10155	40.6
110.06048	5.2
110.06845	1.5
110.10490	1.6
111.04453	0.9
119.06066	0.7
121.03999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	6.5
55.01888	1.1
55.05514	10.7
61.76534	0.5
62.83311	0.4
62.95417	0.4
65.03946	4.2
65.63971	0.5
67.05506	100.0
67.40028	0.4
68.05836	2.6
69.07072	5.5
69.46803	2.5
79.05492	8.7
80.05846	0.8
80.06281	1.5
81.03423	7.9
81.07059	30.0
82.07397	1.1
84.29317	0.5
91.05484	1.5
94.04199	0.7
94.07841	2.0
103.04594	0.5
107.08611	3.4
108.20116	0.5
109.02909	3.0
109.06533	2.1
109.07675	0.6
109.10157	37.7
110.06031	1.6
110.10493	1.6
114.93074	0.4
115.33874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01881	0.8
55.02790	0.3
55.05516	11.0
55.65757	0.3
56.05849	0.5
56.55869	0.3
65.03950	4.2
67.05508	100.0
68.05844	3.2
69.07069	6.8
79.05499	9.1
80.06291	1.3
81.03427	5.5
81.07060	30.8
82.06585	0.5
82.07397	0.9
91.05496	1.4
94.04195	0.5
94.07849	1.8
95.05031	0.4
105.07014	0.7
107.08598	3.6
109.02876	2.0
109.06541	2.0
109.07673	0.9
109.10161	36.8
110.06065	2.3
110.10464	2.1
121.22560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02776	0.3
53.03952	5.1
53.46184	0.3
55.01868	0.8
55.05514	11.1
65.03944	5.7
67.05508	100.0
68.05033	0.3
68.05842	3.1
69.07070	6.6
70.59554	0.3
70.59868	0.4
79.05499	13.7
79.05969	0.7
79.47149	0.3
80.05033	0.7
80.05839	0.6
80.06282	1.7
81.03424	6.7
81.07062	34.6
82.06577	3.5
82.07394	1.3
91.05476	2.0
94.04208	1.2
94.05294	0.3
94.07819	1.4
105.07026	0.5
107.04962	0.5
107.08602	3.1
109.02899	2.4
109.04856	0.5
109.06531	8.3
109.07658	5.4
109.08494	0.7
109.10160	35.0
110.06049	15.0
110.10474	1.8
111.46177	0.3
127.05894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.4
51.02377	1.1
53.00318	0.7
53.03949	16.2
54.04280	0.6
55.01875	4.3
55.05515	12.1
56.44588	0.3
64.91945	0.4
65.03944	7.8
66.04724	1.3
67.05505	100.0
68.05849	2.6
69.07064	6.8
69.07413	0.5
69.15811	2.0
69.16232	1.3
69.23184	0.4
70.26814	0.4
79.05494	34.0
79.89024	0.4
80.05824	1.2
80.06278	1.5
81.03421	19.6
81.07057	52.3
82.03770	0.9
82.06588	1.5
82.07378	2.1
91.05481	9.2
94.04192	7.5
94.07839	1.5
95.04982	1.0
98.22583	0.7
101.13747	0.4
105.04509	0.5
105.07021	0.8
107.04958	3.3
107.08601	3.4
109.02198	0.8
109.02885	7.1
109.06521	50.7
109.07574	1.9
109.10155	44.1
110.06048	4.1
110.06870	2.0
110.10500	2.6
119.05999	0.5
128.83522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00320	0.6
53.03949	9.0
53.04193	0.3
54.04288	0.5
55.01875	1.3
55.05515	11.0
55.22461	0.4
55.31881	0.4
63.03040	0.4
65.03937	4.8
67.05506	100.0
68.05843	3.5
69.07072	6.5
71.30303	0.4
79.05061	0.9
79.05495	12.6
79.05962	0.6
80.05849	0.7
80.06281	1.3
81.03417	14.6
81.07057	33.4
82.06583	2.8
82.07390	1.0
91.05486	1.7
94.04181	0.7
94.07826	1.7
105.06998	0.6
107.08593	3.9
109.02882	7.2
109.04801	0.8
109.06520	5.6
109.07661	4.5
109.10155	39.2
110.06047	11.8
110.06835	0.5
110.10500	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.8
55.01881	1.7
55.05516	12.1
65.03947	6.9
67.04262	1.6
67.05508	100.0
68.05053	1.0
68.05846	3.1
69.07072	5.7
69.46689	2.0
69.47079	1.2
79.05499	15.0
80.05007	1.7
80.06280	1.2
81.03424	9.1
81.04554	0.8
81.05349	1.1
81.07062	33.5
82.06589	8.3
82.07386	1.5
91.05485	2.2
94.04190	2.4
94.07822	2.1
98.23312	1.5
101.80518	0.8
107.04950	0.8
107.08598	2.9
109.02885	3.1
109.06532	14.6
109.07642	13.9
109.08467	2.2
109.10161	35.9
109.10913	1.7
110.06055	35.5
110.06801	1.2
110.08012	0.9
110.10477	1.7
119.23912	0.9
128.57137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.02805	0.3
53.03951	2.5
55.01870	0.6
55.05514	10.2
56.20411	0.3
56.36683	0.3
59.00753	0.4
65.03939	5.4
66.21301	0.3
67.04256	1.6
67.05505	100.0
68.05034	0.6
68.05843	3.3
69.07069	6.6
78.53648	0.4
79.05058	0.7
79.05495	9.9
79.05965	0.5
80.05035	0.5
80.05843	0.5
80.06276	1.3
81.03425	3.4
81.07056	31.5
82.06588	4.0
82.07382	1.1
91.05472	2.2
92.04996	0.5
94.04195	0.8
94.07832	1.7
95.04996	0.4
98.22615	0.7
105.06962	0.3
107.08609	2.8
109.02881	0.9
109.04816	0.7
109.06532	6.3
109.07648	8.7
109.08435	0.8
109.10155	34.2
110.06049	20.3
110.10513	1.7
125.18104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00307	0.4
53.03949	5.0
55.01878	1.3
55.05515	10.4
65.03943	5.3
67.05508	100.0
68.05839	2.6
69.07073	6.4
70.45266	0.8
70.45605	0.7
74.08369	0.4
79.05495	13.5
80.05850	0.5
80.06287	1.2
81.03426	7.3
81.03864	0.4
81.07061	34.3
82.06586	0.9
82.07394	1.2
91.05495	2.3
94.04186	1.9
94.07825	1.4
95.04993	0.5
106.05292	0.4
107.04952	0.8
107.08595	3.8
109.02888	2.0
109.06520	7.3
109.07664	1.5
109.10160	40.1
110.06055	3.0
110.06719	0.6
110.10533	1.9
125.76216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00309	0.4
53.03947	2.1
54.42276	0.4
55.05515	10.8
65.03940	4.9
67.05507	100.0
68.05015	0.4
68.05840	3.1
69.07072	6.7
70.97261	0.8
71.04377	0.4
79.05495	11.0
80.05827	0.5
80.06272	1.6
81.03429	1.1
81.07059	29.7
82.06586	1.2
82.07396	1.3
83.88168	0.3
91.05483	1.2
91.63797	0.3
92.21149	0.4
94.07822	1.6
95.04995	0.5
95.23513	0.4
104.95950	0.3
107.08587	2.8
109.06522	1.7
109.07660	1.8
109.10159	32.4
110.06041	5.5
110.10472	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03709	0.6
53.03951	2.9
54.04272	0.6
55.05515	12.3
65.03941	7.0
67.04256	2.3
67.05508	100.0
68.05057	0.8
68.05828	3.6
69.07069	7.6
69.60754	3.2
79.05499	10.8
80.05029	1.5
80.05833	1.2
80.06265	1.5
81.03429	2.2
81.07062	28.0
82.06586	6.8
82.07371	0.7
91.05506	1.5
92.05021	0.7
94.07847	1.6
107.08594	2.4
109.04784	0.8
109.06516	3.0
109.07661	13.8
109.08418	1.4
109.10158	33.6
110.06049	41.1
110.10496	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	1093.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	3.8
81.03423	3.2
81.07053	8.5
83.04983	15.7
83.08644	1.1
84.10148	1.0
85.02906	30.9
87.04469	1.3
91.05482	9.8
93.07044	11.1
95.04967	8.1
95.08610	25.6
97.02898	22.5
97.06547	2.3
97.08539	0.9
99.04453	3.1
105.07039	16.5
107.08588	12.5
109.02925	1.2
109.06528	2.4
109.10138	8.2
111.04453	12.7
111.08069	1.4
115.03941	9.7
117.05545	1.2
117.06990	2.3
119.08584	29.5
119.50485	1.1
121.06520	2.3
121.10138	10.7
123.08094	4.7
123.11673	1.1
127.03976	2.4
128.06203	1.3
129.05476	10.3
129.07010	3.9
130.07803	1.2
131.08566	14.0
133.04979	1.5
133.06558	0.9
133.10146	13.8
135.08055	3.7
135.11722	5.4
137.09641	1.3
139.03920	1.3
141.06938	1.3
142.07840	1.6
143.03435	1.6
143.08589	7.4
145.04935	1.6
145.10135	22.2
147.06554	4.4
147.08052	4.3
147.11717	8.8
149.09628	2.4
149.13263	4.1
151.11198	1.1
155.08551	2.2
157.10115	9.8
158.10843	1.1
159.11694	12.8
161.09601	3.6
161.13271	8.0
162.60690	0.9
163.11169	1.3
163.14850	4.4
165.35306	0.9
169.05005	1.4
169.10126	2.3
170.58742	1.0
171.06566	1.5
171.11694	7.5
173.09616	1.8
173.13249	9.8
175.11160	1.7
175.14812	8.0
177.12762	1.7
177.16425	2.7
179.14378	1.2
183.06607	1.1
183.11716	4.1
185.13283	7.2
186.13612	1.2
187.11269	1.0
187.14828	30.1
188.15199	1.3
189.12717	4.6
189.16428	6.7
191.14394	2.9
197.13324	4.3
199.14842	8.8
201.12741	2.6
201.16400	13.1
203.14308	24.6
203.18088	1.7
204.14696	1.2
205.15834	6.3
209.13219	1.1
211.05977	1.1
211.14836	4.5
213.12589	1.2
213.16368	8.0
215.14342	6.2
215.17982	2.3
217.15900	6.0
219.17485	1.3
221.13199	1.3
221.15344	1.6
225.07628	4.9
225.16443	1.7
227.14246	1.6
227.17995	3.7
229.15915	4.5
231.17450	5.0
233.15373	2.7
235.16959	1.5
237.16438	1.3
239.17995	2.0
241.19463	2.8
243.08646	4.0
243.17534	1.0
245.15294	1.6
247.16983	2.6
251.18161	1.0
253.19485	2.3
255.21017	1.4
261.09756	1.8
269.19284	1.1
273.09799	1.2
277.19427	1.5
279.10788	4.3
291.21075	1.1
293.22485	1.5
307.21054	1.4
307.24286	1.2
309.11804	2.6
325.25412	1.1
363.65677	1.1
365.28290	1.2
371.25620	1.4
385.29083	2.1
391.29861	3.8
403.29874	5.2
405.31549	3.0
419.29440	2.2
421.30917	8.0
422.31088	1.5
423.32635	2.8
431.29520	2.8
437.30411	3.5
439.31940	4.4
449.30499	7.9
450.30478	1.3
455.31583	73.1
456.31934	7.5
457.32611	1.1
467.31537	18.3
467.37943	1.3
468.31744	1.5
485.32620	100.0
486.32993	9.8
496.34439	1.1
503.33685	80.3
504.34097	9.7
521.34790	30.3
522.35315	2.3
587.35999	8.6
588.35120	1.2
599.35834	1.4
617.36731	9.9
631.38239	1.2
635.37781	6.8
636.37689	1.5
649.39154	1.4
653.38831	1.7
667.40216	4.9
683.39734	3.1
763.41876	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	1105.7099
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09715	0.9
100.11243	2.6
103.71953	0.3
107.93693	0.4
126.05573	0.4
128.10716	0.8
131.94519	0.4
134.72470	0.4
154.08444	1.4
179.11575	0.5
208.09579	0.4
225.12157	0.6
233.12677	0.4
263.17413	1.1
281.18491	1.3
292.20090	1.1
306.21478	0.5
320.19611	0.8
321.17993	0.6
334.21289	0.5
338.20541	0.6
348.26175	2.5
355.14734	0.4
373.22223	0.4
376.25632	0.5
393.28653	1.4
394.26935	2.4
419.30225	1.7
422.22754	0.6
440.23807	0.8
447.29550	0.7
461.34409	2.7
473.31430	0.6
506.37000	0.9
507.35590	1.8
532.38910	2.1
542.36761	0.5
558.40326	0.7
574.43231	1.1
578.39221	1.2
620.43689	0.9
632.40216	0.8
645.47156	0.9
680.41925	0.6
691.47968	1.2
699.48407	0.5
706.43695	0.6
724.44855	0.9
793.50708	0.7
809.09338	0.5
821.49738	0.6
858.56500	0.6
865.52856	0.6
877.57166	0.6
962.63995	0.6
978.60822	1.6
1015.67114	1.1
1061.67896	5.2
1062.68713	0.7
1105.70935	100.0
1106.71167	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	7.8
81.03436	2.0
81.07056	12.9
81.19885	1.5
83.04978	11.0
83.08616	1.5
85.02909	23.4
86.37041	1.4
91.05496	9.0
93.07043	10.3
95.01329	2.5
95.04982	7.9
95.08611	31.1
96.08965	2.4
97.02894	15.9
97.06528	2.4
97.10126	1.6
99.04472	2.0
105.07035	19.1
107.08595	18.6
107.84530	1.5
107.99626	1.4
109.06497	3.1
109.10163	9.8
111.04443	9.8
114.63126	1.5
115.03943	5.5
116.06274	1.5
117.07016	4.6
119.08585	35.5
121.06521	3.8
121.10139	11.1
123.08089	4.0
123.11684	2.9
128.06247	2.9
129.05490	5.5
129.06972	1.9
131.08574	17.5
133.06572	2.5
133.10143	17.7
135.08047	3.7
135.11691	5.1
137.05986	1.5
137.09642	3.5
141.01833	6.0
142.07750	2.9
143.08572	9.4
145.10143	23.3
147.06560	2.3
147.08037	4.5
147.11681	9.5
149.09625	3.2
149.13278	4.2
155.08531	1.6
156.09332	2.2
157.10130	14.0
159.11694	17.5
161.09641	3.5
161.13220	12.5
163.14833	4.4
169.10132	3.6
171.11697	9.4
173.13274	14.2
175.14882	7.0
177.16412	1.8
179.14282	1.7
183.11705	5.9
185.13275	10.0
187.11273	2.3
187.14822	31.6
189.12756	6.1
189.16399	8.1
191.14307	4.8
197.13281	5.4
199.14813	11.9
201.16345	13.1
202.16792	1.6
203.14311	26.4
203.17957	3.5
204.14569	1.9
205.15903	6.5
211.14857	4.6
213.16357	8.0
215.14323	6.1
215.17967	3.9
217.12222	1.8
217.15849	6.2
219.17409	1.7
225.07608	3.8
225.16551	2.4
227.17903	3.3
229.15933	4.1
231.17484	4.3
233.15344	2.2
237.16338	2.7
239.17882	2.5
245.15407	1.8
247.16980	3.1
251.17917	2.2
253.19554	1.9
259.17163	1.9
267.20987	1.8
279.10773	2.6
305.08743	1.5
372.27567	1.6
385.28964	1.7
391.29715	3.9
393.63116	1.6
403.29788	3.1
405.31329	2.1
419.29831	1.9
421.31027	8.5
423.32446	4.9
431.29459	2.7
437.30167	5.1
439.32117	5.8
449.30682	9.5
455.31567	92.6
456.31839	8.4
467.31619	20.8
485.32663	100.0
486.33127	11.0
503.33682	85.8
503.40002	1.3
504.34155	9.3
521.34778	20.8
522.34705	2.3
549.56647	1.7
587.35553	6.6
597.34760	1.8
617.36945	7.0
635.37610	4.5
643.34558	7.3
661.35498	4.9
667.39777	2.0
679.36792	11.8
697.37494	6.1
714.28845	1.9
763.42120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	2.6
81.03419	1.2
81.07047	3.8
83.04980	5.9
83.08616	1.1
85.02902	17.6
86.03242	0.5
87.04472	0.9
91.05470	3.3
93.07037	5.8
95.04979	1.1
95.08603	9.6
97.02889	8.8
97.06510	0.7
99.04453	1.2
105.07027	9.6
107.08582	6.9
109.02917	0.5
109.06493	1.1
109.10159	3.6
111.04440	9.1
111.08073	0.8
115.03910	3.3
115.05479	0.9
117.05432	0.6
117.07007	2.5
119.08577	13.4
120.08873	0.5
121.06513	1.3
121.10109	3.8
123.08092	1.4
123.11713	1.2
125.05976	0.8
127.03925	1.9
128.06232	0.6
129.05473	4.6
129.07028	1.7
131.08568	8.5
133.06456	0.7
133.10136	6.9
135.08040	1.7
135.11676	3.4
137.06059	0.5
137.09636	1.5
137.13213	0.5
139.03883	0.5
141.06978	0.8
142.07780	0.9
143.08569	4.7
144.09326	0.5
145.05006	0.6
145.10121	13.3
147.06532	1.9
147.08083	2.3
147.11667	4.6
149.05984	0.7
149.09639	0.9
149.13274	1.8
151.07535	1.3
153.05495	0.5
155.08566	1.5
156.09349	0.8
157.10112	5.4
158.10762	0.4
159.08072	1.5
159.11676	5.6
161.09622	2.8
161.13232	3.6
163.07462	0.6
163.11192	0.7
163.14809	2.7
167.07083	0.5
167.08633	0.6
169.10094	2.3
170.10899	1.3
171.11681	4.6
173.09616	0.9
173.13260	6.2
175.11237	1.8
175.14828	3.9
177.12791	0.8
177.16441	1.3
179.14247	0.5
181.10124	0.6
182.10854	0.5
183.11691	3.2
185.09586	0.7
185.13237	5.6
187.11272	1.3
187.14812	25.6
188.15172	1.2
189.09175	0.5
189.12756	3.5
189.16373	3.9
191.10693	0.6
191.14246	2.9
192.14684	0.4
193.12216	0.5
193.15919	0.5
195.11723	1.0
197.08038	0.5
197.13237	2.5
199.11264	1.0
199.14798	6.1
201.12758	1.7
201.16370	7.6
203.10599	0.8
203.14307	16.3
203.17998	1.0
204.14714	0.6
205.12273	1.1
205.15872	3.7
209.13293	1.0
211.11331	0.6
211.14833	1.5
213.12981	0.7
213.16345	4.9
215.14270	2.6
215.17967	1.5
217.12273	1.1
217.15863	3.9
219.13823	1.0
219.17526	0.8
223.14827	0.9
225.07565	1.9
225.16406	1.9
227.14308	0.9
227.17986	1.7
229.12332	0.5
229.15923	1.6
229.19470	0.6
231.13826	1.2
231.17445	1.9
233.15427	1.2
237.16544	0.6
239.14200	0.6
239.17995	1.5
241.15863	0.6
241.19545	1.7
243.08644	1.9
243.13789	1.0
243.17448	0.6
245.15427	1.2
247.16985	0.8
249.14723	0.7
251.17984	0.8
253.19543	1.0
255.17349	0.5
255.20929	0.6
257.15448	0.5
259.16904	0.8
261.09787	0.6
263.18008	0.5
269.18890	0.5
279.10843	2.0
279.21054	0.6
299.19958	0.5
307.24225	1.2
309.22552	0.6
309.25647	2.6
325.25226	1.1
346.26141	0.4
353.24692	1.6
371.26108	1.6
373.28848	0.8
383.14828	0.5
387.27103	1.0
389.28348	2.3
391.30035	1.5
405.27832	1.7
407.29468	4.3
409.30820	0.8
417.28091	2.1
419.29419	1.3
423.29034	1.4
425.26303	0.6
433.27625	1.0
435.28964	5.1
437.30600	2.6
445.27478	0.5
451.28558	2.7
453.29987	6.1
455.26569	0.4
455.31522	16.3
456.31982	1.3
463.28336	2.0
469.29495	21.1
470.29822	2.1
471.31030	1.4
481.29413	4.2
487.30328	2.7
499.30508	13.8
500.30991	1.5
517.31592	100.0
518.31958	7.8
535.32593	5.8
587.35913	0.9
601.33521	2.1
609.34100	1.1
613.33484	1.0
615.35413	0.5
627.35162	3.5
631.34851	2.5
645.36377	0.9
649.35815	13.7
650.36041	2.0
663.37463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Resorcinol
Peak:m/z	Relative Intensity
53.03949	2.3
55.01883	6.6
55.05518	11.6
56.96558	2.0
62.64700	1.3
63.98468	1.2
65.03615	2.4
65.03947	40.5
68.02661	6.1
68.99785	4.2
69.03432	3.6
69.07090	1.7
70.94302	1.4
70.95870	2.1
71.11681	2.2
83.04993	7.8
84.08157	1.8
89.60455	1.1
93.03411	8.5
96.01552	1.8
96.02108	11.9
101.45745	1.3
111.00811	2.1
111.04449	100.0
111.05644	3.1
111.06339	2.7
111.09202	1.3
112.04005	2.7
112.04807	2.8
112.07623	5.3
121.03994	4.1
128.85291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01876	3.1
55.05515	26.3
56.05835	0.7
58.72737	0.3
65.03942	4.4
67.05495	0.6
68.99787	1.1
69.03426	1.3
69.07065	0.6
70.68001	0.4
70.68333	0.7
71.01362	0.6
83.04482	0.7
83.04984	14.3
84.05315	0.4
85.02908	5.4
93.03423	0.7
93.07060	0.6
111.04447	100.0
111.08067	1.1
112.04762	3.5
112.07605	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
51.39957	0.3
53.00297	0.5
53.03953	1.3
55.01874	1.6
55.05513	21.9
56.05841	0.8
65.03945	4.5
67.05507	0.6
68.99807	1.3
69.03436	1.4
69.07071	3.3
71.01350	0.9
71.31340	0.3
83.04985	14.6
85.02421	0.5
85.02909	7.3
89.93674	0.3
93.03421	1.4
93.06997	0.3
111.04446	100.0
112.04034	0.3
112.04780	4.3
112.07600	0.7
122.17797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03950	6.1
55.01878	8.9
55.05514	34.8
55.32594	0.5
56.05856	0.7
57.03428	1.2
65.03941	2.6
67.05502	2.3
68.99782	1.0
69.03425	5.9
69.04549	0.6
69.07072	3.5
70.06593	0.8
71.30968	0.6
71.31355	0.6
77.03934	0.9
78.83834	0.5
79.05479	0.6
81.03445	0.7
81.07075	2.4
83.04988	11.8
83.08624	7.5
84.08128	0.5
85.02910	0.7
91.05486	14.2
92.05806	0.6
93.03378	0.6
93.07050	24.6
94.07365	1.2
95.04973	4.9
96.05753	0.9
105.04523	2.4
111.00865	0.7
111.04450	44.8
111.05632	1.9
111.06432	2.1
111.08082	100.0
112.03961	2.1
112.04803	1.8
112.07611	2.5
112.08440	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	1110.5709
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	6.3
81.03411	5.3
81.07046	18.1
83.04983	5.7
84.10536	5.0
85.02920	38.0
87.04449	5.3
91.05475	12.9
93.07037	14.6
93.97522	4.3
95.04971	12.5
95.08608	36.3
97.02899	33.3
105.07036	24.9
107.08604	19.7
109.10141	13.1
111.04459	8.8
115.03918	14.6
119.08578	35.1
120.08936	4.3
121.10152	15.0
121.26300	4.5
127.03925	12.2
130.07623	4.1
131.08560	17.5
133.05000	6.9
133.10115	13.6
135.08035	6.8
135.11699	6.2
139.85060	5.0
143.08525	8.0
145.04974	6.1
145.10106	25.9
147.07971	6.4
147.11696	8.2
149.13202	5.5
156.66005	3.9
157.10117	9.3
159.11659	15.6
161.05992	6.1
161.09644	6.0
161.13277	11.7
163.14839	5.9
169.10156	7.5
171.11583	6.7
173.13261	14.0
175.14815	9.1
185.13258	11.2
187.14786	32.9
189.12785	7.9
189.16374	10.5
199.14845	10.4
201.16389	12.1
203.14365	29.4
205.15968	8.0
211.14839	7.9
213.16368	10.5
215.14398	5.9
217.15837	10.1
229.15970	6.0
231.17439	8.0
245.74083	4.9
263.28500	4.7
279.10767	5.0
295.10110	7.0
329.26205	4.5
347.77985	4.8
449.30511	5.8
455.31619	51.6
456.31873	26.9
467.31345	14.6
468.31812	6.7
485.32626	100.0
486.33005	41.7
503.33597	68.8
504.34155	29.6
521.34595	43.2
522.34863	12.6
587.36188	8.8
617.36560	11.8
852.83997	5.2
1015.80347	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	1115.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
79.45802	0.5
90.02264	0.5
90.80373	0.5
97.92253	0.5
143.16643	0.6
167.06888	0.9
176.04321	1.6
177.05049	0.5
189.05125	0.9
203.02962	2.0
204.03883	4.5
205.04713	49.6
206.04990	1.3
217.04759	3.4
218.05322	2.4
219.06297	3.1
225.80975	0.5
230.05276	0.8
231.06226	3.1
232.07133	2.9
243.06229	0.8
247.05569	0.7
248.06445	0.9
257.07785	1.1
299.08740	1.5
371.11197	0.7
377.21640	0.6
399.10504	0.6
401.12134	1.8
407.10895	0.8
409.12341	0.7
416.09613	0.6
421.12656	1.1
422.13251	1.2
423.14166	2.0
425.12042	1.2
437.12106	3.7
438.12604	1.9
439.13489	3.3
440.14316	3.1
441.15210	0.7
443.13147	1.1
451.13721	3.5
452.14359	17.2
453.15131	10.4
454.15747	0.8
455.13031	2.2
457.14789	1.9
465.15067	0.7
466.15927	3.0
473.14114	0.9
483.16290	1.2
485.18088	0.8
623.14441	0.6
646.20313	0.7
647.20789	1.6
655.19696	0.7
663.19989	2.7
664.21173	2.4
665.22070	12.3
666.22858	4.9
667.23560	1.2
677.22009	100.0
678.22156	7.8
679.23669	6.4
691.23743	7.9
707.22906	0.9
709.24750	5.5
737.24097	1.6
875.27094	2.2
889.29041	1.2
890.29590	62.7
891.29871	12.7
906.74042	0.7
1085.35645	3.9
1115.37305	42.7
1116.37769	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	1123.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05502	6.7
81.03425	3.4
81.07055	9.4
83.04980	19.3
83.08608	1.5
85.02904	41.5
86.03300	0.6
87.04465	0.9
91.05484	9.0
93.07046	11.2
95.04961	7.6
95.08605	26.5
96.08962	0.6
97.02890	17.3
97.06522	2.4
97.10165	0.7
97.31602	0.6
99.04482	2.8
103.05421	1.0
105.07023	18.2
107.04946	0.8
107.08592	15.3
107.09274	1.0
109.02866	1.9
109.06508	2.7
109.10143	11.0
111.04441	12.8
111.08079	1.4
113.02357	0.8
113.05996	0.9
115.03917	4.9
115.05460	1.5
117.07006	3.4
119.08578	33.6
120.08927	0.9
121.06514	2.2
121.10137	9.1
123.08070	4.2
123.11703	2.1
127.03898	4.5
128.06256	1.6
129.05478	13.6
129.06989	3.4
130.07776	0.6
131.08568	16.3
133.05016	1.1
133.06503	1.5
133.10130	14.5
135.08032	3.5
135.11708	4.7
137.09596	2.7
141.06989	1.0
142.07811	1.7
143.08574	10.1
145.04985	4.3
145.10120	23.2
145.27904	0.6
146.10397	0.8
147.06543	9.8
147.07861	4.6
147.11687	7.9
149.09579	3.0
149.13268	2.6
151.03984	0.7
151.11113	0.9
155.08501	2.9
156.09348	2.0
157.10114	10.3
158.10899	0.9
159.08044	1.8
159.11687	14.8
161.05986	0.8
161.09605	4.0
161.13251	7.7
162.10043	0.6
163.06029	1.5
163.07375	0.7
163.11189	1.5
163.14842	4.5
165.07628	1.2
165.12758	0.9
169.04955	1.1
169.10103	3.9
170.10953	1.3
171.11703	7.7
172.12378	1.2
173.09642	0.9
173.13269	12.9
175.11224	1.9
175.14841	8.3
177.12717	1.3
177.16452	2.6
179.14296	0.9
179.29048	0.6
181.10092	1.2
182.11034	0.8
183.11702	3.9
184.12460	1.3
185.13235	6.8
187.11249	1.0
187.14816	30.4
188.15198	2.1
189.12755	5.8
189.16360	6.2
191.14282	2.5
193.10242	0.9
195.11772	1.5
196.12627	0.9
197.13239	5.0
199.14815	9.8
201.12778	2.0
201.16376	11.0
203.14310	26.6
203.18022	1.9
204.14803	0.7
205.15878	6.8
207.17419	0.8
209.13243	1.2
211.14754	3.3
213.12833	0.9
213.16383	8.1
215.14349	5.8
215.17978	2.7
217.15886	6.6
219.17406	1.4
221.15381	1.4
223.06004	0.8
223.14743	1.2
225.07629	2.8
225.16422	2.1
227.17879	2.9
229.15906	4.9
231.13754	1.2
231.17461	3.4
233.15421	1.7
235.16873	0.8
237.07587	1.6
237.16422	1.8
239.17981	2.1
239.66487	0.6
241.07162	1.0
241.19489	1.9
243.08690	1.6
245.15356	1.2
247.16983	2.3
253.19608	1.6
255.08667	3.4
255.20807	0.8
267.21100	0.9
273.09662	5.8
273.18600	0.8
279.10706	3.9
279.21002	1.0
295.10379	1.7
307.24036	1.0
309.11713	7.3
309.22192	0.7
325.21658	1.1
371.25925	0.9
373.28705	1.1
375.30676	1.2
381.13501	0.6
385.28827	1.4
385.37503	0.6
391.29868	3.4
393.31723	0.9
403.29916	4.3
404.29996	0.7
405.31573	2.2
409.30841	1.5
419.29453	2.6
421.31100	6.8
423.32953	3.2
425.21255	0.7
431.29413	2.7
437.30490	4.9
438.30450	0.7
439.31891	4.2
449.24615	1.0
449.30374	7.4
455.31543	68.9
456.31854	6.8
457.33127	1.4
467.31537	15.6
468.31854	2.2
485.32608	100.0
486.32883	9.4
496.34149	1.6
503.33652	75.3
504.33878	7.8
521.34698	27.5
522.35132	3.5
550.43903	0.7
617.36682	2.1
637.01093	0.7
647.37952	2.3
649.39154	1.0
665.39337	0.9
667.40582	4.0
683.39954	2.1
684.40375	0.8
773.64081	0.7
875.14813	0.8
1111.56201	0.8
1153.40564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	4.3
80.12373	0.6
81.03419	2.6
81.07060	9.7
83.04988	8.5
83.08639	1.3
85.02906	45.5
87.04492	1.0
90.27134	0.7
91.05477	7.3
93.07047	10.5
95.04967	6.2
95.08611	25.1
97.02895	13.3
97.06537	2.0
97.99966	0.5
99.04469	3.5
103.05497	0.8
105.07037	16.0
107.04992	1.1
107.08601	13.1
107.09282	1.0
109.02895	2.6
109.06544	1.7
109.10171	6.8
111.04450	6.7
111.08104	1.4
115.03932	5.2
115.05534	0.9
116.91045	0.6
117.07024	3.6
119.08585	28.2
120.08942	1.1
121.06554	1.8
121.10155	10.5
123.04428	0.7
123.08086	2.9
123.11740	1.9
127.03924	5.8
128.06248	1.7
129.05492	12.6
129.06975	3.0
131.08574	13.2
133.04987	1.4
133.06526	1.2
133.10130	15.0
135.08037	3.8
135.11685	4.6
137.05984	0.8
137.09628	1.8
139.03915	1.0
139.07576	0.7
141.07007	1.0
142.07808	1.5
143.08568	8.1
144.09317	1.5
145.04968	6.0
145.10129	21.3
147.06528	7.8
147.08035	2.6
147.11699	8.1
149.09630	2.0
149.13289	4.0
155.08621	2.2
156.09357	2.0
157.10121	9.2
159.08159	1.1
159.11697	11.1
161.09630	3.0
161.13251	7.5
163.06030	2.4
163.07368	0.7
163.11241	1.5
163.14857	3.3
167.07083	0.9
167.08452	0.9
169.10132	3.4
170.10860	1.2
171.11696	5.9
173.09676	0.9
173.13251	8.6
174.13680	1.0
175.11203	1.8
175.14845	8.8
177.12823	1.7
177.16412	2.5
179.14375	1.3
181.04919	0.7
182.10938	1.0
183.11742	2.8
185.13263	5.9
187.11282	0.8
187.14827	25.7
188.15257	0.9
189.12805	4.9
189.16362	5.4
191.14325	1.8
193.15895	0.8
195.11662	1.5
197.13232	3.7
199.14833	8.2
201.12791	1.3
201.16383	11.0
201.18150	0.8
202.16609	0.9
203.14325	22.3
203.17961	2.1
205.15854	6.7
207.11853	0.8
209.13371	0.8
211.14746	3.4
213.16359	5.9
215.14275	3.7
215.17943	2.5
217.15868	6.5
217.19446	0.8
219.17517	1.3
221.15302	1.3
223.14838	1.0
225.07585	2.9
225.16431	2.3
227.18037	2.5
229.15906	4.8
231.08694	0.8
231.13821	0.7
231.17410	4.5
233.15385	2.2
235.16896	0.7
237.16438	1.4
239.18031	1.1
241.07164	1.1
241.15874	0.7
241.19473	1.3
243.08708	2.4
243.17473	1.2
243.21231	0.8
245.15384	1.4
245.19063	0.8
247.17024	1.8
253.19553	2.2
255.08821	1.3
255.21092	1.4
257.18976	1.0
259.08102	0.9
261.09695	1.2
267.21210	0.9
269.22513	0.9
273.09750	2.8
273.18674	0.9
277.18359	0.7
279.10699	4.3
281.22681	1.3
295.10260	1.8
297.22018	1.3
303.77734	0.7
309.11703	5.6
309.25858	1.0
325.11334	1.9
371.26129	0.7
373.28998	1.1
385.28781	1.6
391.30008	3.0
403.30090	5.2
405.31653	2.6
409.31088	2.3
413.28412	0.7
419.29657	1.8
421.31039	7.4
422.31274	0.8
423.32819	3.8
431.29465	3.0
437.30511	3.4
439.31851	6.0
441.33600	1.5
449.30542	9.4
450.31000	0.9
455.31567	66.0
456.31866	6.9
467.31543	16.5
468.32047	2.0
485.32639	100.0
486.33029	10.2
496.34232	1.5
503.33679	81.7
504.34045	8.0
521.34711	28.3
521.42487	1.5
522.35223	3.4
587.35736	4.6
617.36517	5.4
631.38904	1.0
635.38104	3.4
653.38855	0.9
667.40308	3.8
679.07428	0.9
683.39801	2.6
719.96179	0.8
763.42596	5.2
1124.32739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05497	3.8
81.03431	2.3
81.07045	4.9
83.04984	41.2
85.02908	100.0
86.03185	1.7
91.05476	2.5
93.07031	3.4
95.04967	2.0
95.08608	14.7
97.02901	19.1
97.06524	1.6
99.04448	2.7
105.06998	2.4
107.04928	2.2
109.10175	3.2
111.04438	30.0
113.83083	1.6
115.03950	5.7
119.08572	5.8
121.06500	1.8
121.10155	2.1
127.03911	7.4
129.05469	9.9
131.08548	3.0
133.04945	1.7
133.10129	2.8
137.05978	1.9
137.09613	2.4
143.08598	1.9
145.10147	3.8
147.11720	2.1
151.07678	1.9
157.04932	1.7
159.11658	4.0
163.36237	1.7
167.07068	3.2
171.06523	73.7
172.06851	2.2
175.14870	2.9
181.04912	2.2
189.07585	56.8
189.12657	2.5
203.14293	13.1
205.15807	2.6
225.07520	2.0
229.15843	1.8
243.08589	3.1
261.09644	3.1
287.05566	3.9
303.10733	4.9
306.03589	1.8
321.11798	3.4
368.15503	1.8
409.31076	15.6
421.31186	3.7
437.30447	4.8
439.31967	12.9
453.29947	5.8
457.33151	9.2
465.30148	2.1
483.30988	25.8
484.31320	3.6
487.34109	4.9
501.31882	17.9
513.28259	1.7
519.33392	11.0
830.29761	2.3
1016.60309	1.9
1133.40771	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	1135.5538
Annotation	Platycoside B
Peak:m/z	Relative Intensity
79.05494	4.4
80.85378	0.6
81.03405	2.3
81.07058	6.8
83.04983	46.5
83.08596	0.8
85.02906	22.4
85.06570	0.6
85.56978	0.6
87.04475	3.3
91.05065	0.6
91.05495	7.1
93.07050	7.7
95.04973	5.0
95.08610	19.1
96.08950	0.6
97.02892	40.2
97.06506	1.6
97.10174	0.9
99.04451	2.4
101.06006	0.7
101.45547	0.6
105.07034	10.3
107.04979	1.2
107.08604	9.9
109.02856	0.8
109.06517	2.3
109.10146	5.2
109.29555	0.6
111.04446	54.3
111.08038	0.9
113.02358	1.0
113.06017	9.1
115.03928	9.4
117.05511	5.3
117.07000	2.4
119.08580	21.5
121.06493	2.9
121.10140	7.7
123.04412	0.9
123.08070	3.1
123.11710	2.2
125.06007	1.2
127.03916	3.9
128.06242	1.4
129.05484	38.4
129.07004	2.7
131.08569	10.0
133.04979	1.5
133.10129	9.1
135.08061	2.3
135.11690	2.7
137.05948	1.2
137.09618	1.1
137.13239	0.8
141.06976	0.9
142.07768	1.3
143.08595	4.9
145.04959	1.3
145.10130	14.1
146.10524	0.7
147.08035	4.6
147.11691	6.2
149.05956	0.9
149.09599	2.0
149.13249	2.5
153.05469	1.7
155.08568	2.5
157.04941	0.9
157.10159	6.3
159.08093	0.9
159.11674	10.0
161.09612	3.2
161.13245	5.2
163.07628	0.7
163.14809	1.9
165.05447	1.2
167.08536	0.7
169.10121	2.4
171.06522	24.5
171.07993	1.5
171.11678	4.9
173.09671	1.5
173.13251	8.8
175.11198	1.3
175.14841	5.8
177.12776	1.5
177.16367	1.8
179.14368	0.8
181.05058	0.8
181.10120	0.9
183.06558	1.3
183.11650	2.4
185.13264	5.1
187.14816	23.1
188.15234	0.8
189.07579	100.0
189.12668	4.8
189.16313	5.3
190.07933	1.6
191.14322	2.7
195.11794	0.7
197.13239	2.2
199.14806	6.1
201.12679	1.8
201.16399	7.8
203.14331	19.6
203.17934	1.3
205.15895	5.9
209.13240	0.8
211.06142	1.5
211.14816	2.6
213.16429	6.0
215.14339	3.3
215.17970	1.9
217.07283	0.8
217.15884	5.5
219.13765	1.0
219.17471	1.8
221.15321	1.3
223.14821	0.8
225.07593	7.0
225.16312	1.0
227.18008	2.0
229.07103	0.8
229.15900	4.5
229.19469	0.9
231.08582	0.7
231.17532	3.1
233.15361	1.3
235.16985	0.9
237.16386	1.2
239.17996	2.2
243.08696	4.9
244.23492	0.8
245.15492	1.0
245.18861	0.8
247.16914	1.9
251.17838	0.9
253.19513	1.7
259.16940	0.7
265.19498	0.8
267.20941	1.0
273.09729	2.0
273.18463	0.9
285.09680	1.0
303.10718	1.5
307.24127	0.7
321.11823	2.9
334.31049	0.7
371.25665	0.7
391.29932	3.9
403.29935	4.3
405.31348	2.0
409.30927	1.6
419.29343	2.3
421.31082	5.8
423.32526	2.4
431.29474	1.7
437.30661	4.5
439.31955	2.9
449.30557	7.1
455.31564	44.4
456.31772	2.9
457.32999	1.5
467.25076	1.1
467.31540	13.8
468.31644	1.4
485.32639	65.9
486.32990	5.3
503.33691	44.8
504.34225	3.2
521.34668	13.8
522.35321	1.2
545.34222	0.8
587.35767	4.1
588.35773	1.0
595.36078	2.3
613.36908	1.2
617.36761	6.1
635.37396	2.7
655.38226	0.9
673.39478	1.8
683.40570	0.9
691.40448	5.8
754.11908	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.7
81.03405	1.8
81.07056	3.6
83.04981	42.4
84.05325	0.9
85.02903	100.0
86.03249	1.1
87.04497	1.1
91.05511	3.9
93.07046	4.2
93.15222	0.7
95.04971	4.0
95.08604	8.1
97.02890	23.4
98.22592	1.6
99.04451	4.1
105.07028	6.6
107.08601	4.9
109.02885	1.0
109.06509	1.5
109.10146	2.3
111.04436	34.8
112.04765	1.1
113.06016	1.7
115.03919	6.2
119.08582	8.9
121.10136	2.8
123.08071	1.8
127.03913	8.7
129.05498	9.7
131.08556	4.4
133.05005	1.4
133.10118	4.2
135.08073	1.1
135.11708	1.4
137.09612	1.0
139.03928	1.1
143.08546	2.3
145.10106	7.1
147.08093	0.9
147.11711	2.5
149.09705	1.3
155.08601	1.2
157.04962	2.3
157.10135	2.9
159.11707	3.8
161.09641	1.5
161.13339	2.3
163.14842	1.8
169.10167	1.1
171.06520	85.6
171.11604	1.8
172.06827	1.7
173.13226	2.5
175.05992	3.4
175.14825	2.6
183.11699	1.3
185.13266	2.5
187.14819	11.4
187.16362	1.2
189.07578	60.5
189.12648	1.5
189.16318	1.9
191.14253	1.6
197.13208	1.1
199.14865	3.1
201.16446	3.9
203.14331	9.2
205.15913	3.0
207.06564	0.9
211.14807	1.3
213.16420	2.7
215.14285	1.2
217.15977	1.2
225.07623	3.6
227.17949	1.1
229.15945	2.1
231.17473	2.0
241.07140	1.2
241.19554	1.0
243.08746	2.2
247.16995	1.6
261.09653	3.1
267.59406	0.9
285.09769	3.3
287.87750	0.9
303.10696	3.3
321.11856	4.1
333.11649	2.0
391.29889	2.1
393.13733	1.3
403.29871	2.5
405.31674	1.8
409.31223	1.0
421.30884	3.4
437.30521	2.4
439.31973	2.5
449.30612	3.9
455.31503	25.5
456.31879	2.2
467.31439	7.6
485.32645	39.8
486.32761	3.5
503.33609	30.9
504.33896	2.6
521.34698	11.4
587.35626	2.6
617.36377	2.0
635.37762	2.0
673.38867	1.3
691.40051	2.3
1036.90747	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	3.0
81.03412	2.4
81.07063	5.4
83.04988	6.9
83.08631	0.6
85.02908	30.5
87.04476	1.1
91.03985	0.4
91.05479	5.2
93.07049	6.0
95.04985	2.0
95.08611	12.9
96.08974	0.4
97.02899	10.2
97.03508	0.7
97.06528	0.9
97.10172	0.5
98.23351	0.8
99.04461	1.9
105.07038	10.4
105.07748	0.6
107.04976	0.7
107.08605	8.3
109.02889	1.5
109.06536	1.3
109.10152	5.4
111.03690	0.6
111.04448	10.2
111.08089	0.6
113.02420	0.5
115.03934	3.8
115.05464	0.9
116.92516	0.3
117.05521	0.8
117.07027	3.0
119.08588	17.7
120.08980	0.5
121.06516	1.8
121.10148	5.0
122.25826	0.3
123.04432	0.6
123.08086	1.5
123.11655	1.8
125.05938	0.8
127.03915	4.1
128.06235	1.3
129.05486	6.9
129.06950	1.9
130.07809	0.4
131.08577	10.7
133.05028	0.7
133.06506	1.2
133.10138	8.4
134.47627	0.4
135.08061	2.0
135.11713	3.8
137.06018	0.9
137.09639	2.4
137.13269	0.4
139.03946	1.2
139.07515	0.5
141.07014	1.0
142.07761	1.3
143.08569	5.6
144.09308	0.5
145.04984	3.6
145.06436	0.7
145.10124	16.0
145.11250	0.8
146.10506	0.5
147.06546	3.6
147.08047	2.6
147.11681	4.2
149.05992	0.8
149.09636	1.3
149.12250	0.4
149.13229	1.9
151.07556	1.3
153.05460	0.6
155.07480	0.3
155.08545	2.2
156.09354	1.0
157.10138	7.3
157.11427	0.6
158.10896	0.8
159.08046	1.4
159.11708	7.6
161.09624	2.5
161.13254	4.6
163.06053	2.0
163.07545	1.2
163.11252	0.6
163.14842	2.9
167.07132	0.4
167.08545	0.6
168.09445	0.4
169.04836	0.5
169.10156	2.8
170.10963	1.1
171.06535	0.6
171.11703	4.2
172.12540	0.8
173.09676	1.4
173.13277	7.8
175.07498	0.5
175.11244	1.7
175.14830	4.9
177.09109	0.6
177.12784	1.3
177.16466	1.3
179.08653	0.6
179.14359	0.5
181.10110	1.0
182.11024	1.0
183.11691	3.4
185.09680	0.9
185.13260	6.3
187.11250	1.4
187.14827	29.9
188.15237	1.3
189.12784	3.9
189.16386	4.6
191.10689	0.9
191.14349	2.5
193.10040	0.5
195.11761	1.4
197.13228	2.7
199.11232	0.9
199.14822	7.3
201.12721	2.0
201.16406	7.9
203.14328	21.6
203.17947	0.9
204.14732	0.8
205.12263	0.9
205.15872	5.1
207.06512	0.5
207.11774	0.6
207.13672	0.5
209.13307	1.2
211.14891	1.8
213.12865	1.5
213.16371	5.9
215.10753	0.5
215.14264	2.2
215.17999	1.6
217.10304	0.5
217.12282	1.8
217.15874	4.2
219.13797	1.2
219.17307	0.5
223.14914	1.2
225.07626	2.1
225.12813	0.6
225.16405	1.8
227.14360	1.1
227.18022	1.7
229.12254	0.9
229.15872	1.8
229.19666	0.5
231.13843	1.4
231.17404	1.4
233.15413	1.6
235.17162	0.4
237.16470	1.2
239.17899	1.9
241.07138	0.5
241.15961	0.6
241.19565	1.3
243.08542	1.9
243.13837	1.3
243.17531	0.5
245.15437	1.5
247.13211	0.5
247.17030	0.9
249.14873	0.7
251.17960	1.0
253.19514	1.4
255.21056	0.5
259.17062	0.5
261.14948	0.7
265.19547	0.6
267.21164	0.5
269.19357	0.5
273.09714	0.6
277.19614	0.5
279.10815	1.7
279.21011	0.5
295.10220	0.6
307.24234	1.5
309.11826	0.9
309.25735	3.2
323.65585	0.4
325.25296	1.0
353.24823	1.4
361.28891	0.5
363.26749	0.4
371.26346	1.5
373.28876	0.7
379.30447	0.5
387.26773	0.6
389.28546	2.7
391.29935	2.1
395.29990	0.4
401.28613	0.6
405.27869	1.9
407.29486	4.3
409.31012	0.8
417.27908	2.4
419.29636	1.4
423.28967	1.5
425.26453	1.0
425.31232	0.8
433.27039	0.8
435.28979	7.1
436.29532	0.8
437.30817	2.4
445.27530	0.8
451.28506	3.1
452.29575	0.5
453.29962	7.8
455.31561	18.9
456.31946	1.5
463.28574	2.4
469.29514	25.1
470.29651	2.3
471.31097	2.0
481.29498	6.0
482.29968	0.5
487.30695	3.2
499.30569	18.9
500.30936	2.3
517.31635	100.0
518.31982	9.7
535.32629	3.9
536.32928	0.5
587.35645	1.4
595.32867	0.6
601.33484	1.9
609.33685	1.2
613.33832	0.9
615.35388	0.4
627.35345	1.6
628.35510	0.5
631.34753	2.2
645.36487	0.5
649.35828	7.3
650.36578	0.7
663.37085	1.1
962.25854	0.5
1137.39954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1138.6
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05503	0.7
81.02977	0.6
81.03420	7.0
81.07043	1.2
83.04960	0.4
84.08092	0.5
85.02902	100.0
86.03232	1.5
87.04457	1.5
89.37978	0.3
91.03961	4.6
91.05447	0.9
93.07033	1.7
95.04946	0.5
95.08607	3.4
97.02892	26.3
97.10161	0.4
99.04454	3.8
101.02372	0.7
103.03983	0.6
105.07018	2.8
106.98912	0.3
107.08583	2.5
109.02873	8.9
109.10133	2.6
115.03901	1.2
119.08570	3.1
121.10135	2.2
123.11700	0.9
124.96346	0.4
127.03913	31.3
128.04240	0.5
129.05424	0.6
131.08540	0.8
133.10123	2.8
135.11655	1.8
137.05940	0.6
143.08574	0.6
145.04955	70.9
145.10062	2.2
146.05276	0.8
147.06525	0.6
147.11681	2.3
149.13275	0.8
157.10146	0.6
159.11688	1.3
161.13240	1.8
163.06010	39.5
163.14700	0.6
164.06357	0.5
167.07074	0.6
173.13237	1.2
175.14781	1.7
181.04956	0.5
185.13246	0.5
187.14777	1.2
189.16351	1.0
191.17905	2.2
199.14812	0.7
201.16293	0.8
203.17964	1.4
204.08734	0.5
217.19534	0.8
219.13818	0.7
219.17349	0.4
221.15448	0.5
241.06966	0.9
247.08113	0.6
253.06999	0.6
271.08075	2.3
289.09164	6.2
307.10129	0.7
325.11270	42.9
326.11572	1.2
341.24835	0.5
359.25687	1.6
409.34256	1.3
409.57251	0.4
427.35486	0.6
437.34164	2.8
455.35190	10.8
456.35172	0.5
469.32596	0.4
473.36237	1.0
545.61792	0.4
609.91840	0.4
658.32922	0.4
658.66364	0.5
715.89417	0.4
1139.40125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	6.5
85.02909	100.0
87.04476	4.1
91.03938	4.5
91.05479	38.3
97.02895	65.1
99.04470	9.1
103.03976	3.8
105.07058	3.4
109.02900	12.4
110.23431	2.7
115.03915	22.7
127.03927	35.6
133.04974	30.7
133.06523	4.1
133.48045	2.9
145.04965	59.6
151.82524	2.7
157.06564	3.1
163.05975	23.1
217.07001	3.0
241.07144	7.9
253.10771	9.0
259.08127	31.1
265.78354	2.9
268.14981	2.6
271.11786	4.4
277.09250	7.7
281.27859	3.1
289.09033	3.0
295.10242	62.4
325.11362	23.0
819.83234	3.6
914.70654	3.1
1127.25842	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	1149.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07069	13.1
83.04985	54.6
85.02906	31.0
87.04472	6.3
91.05503	10.6
93.07069	13.4
95.01333	4.5
95.04948	8.2
95.08613	37.6
97.02900	45.8
97.06553	3.6
102.01403	2.7
105.07037	22.7
107.08606	16.5
109.06524	4.4
109.10154	9.6
111.04446	69.0
113.06000	11.0
115.03928	9.1
117.05476	5.4
117.07039	3.5
119.08588	34.4
121.06520	2.8
121.10178	9.2
123.08083	5.3
127.03931	4.6
129.05482	43.6
129.07010	4.3
131.08592	16.2
133.10172	15.5
135.08044	3.5
135.11681	2.9
141.01828	3.6
143.08543	10.0
145.10139	24.4
147.08110	3.5
147.11681	10.9
149.13269	5.9
155.08495	4.1
157.10164	10.1
159.11685	16.2
161.09668	3.6
161.13260	9.8
162.68010	3.0
162.71550	2.8
163.11229	4.0
169.10118	3.7
170.77528	3.5
171.06522	31.5
171.11681	5.7
173.13269	14.0
175.14842	11.3
177.16385	4.1
185.13254	8.5
187.14835	38.2
189.07591	100.0
189.12772	6.9
189.16422	8.9
197.13347	4.2
199.14841	7.9
201.16397	11.4
203.14342	28.7
205.15941	9.9
213.16383	9.2
215.14268	5.4
217.15913	6.8
221.15440	3.4
225.07610	9.0
229.15862	7.1
231.17479	3.0
233.15411	4.8
239.17982	3.8
243.08746	4.0
247.16910	3.6
253.14052	3.4
335.08282	3.0
338.15222	3.1
391.30063	4.3
403.29803	7.6
405.31229	5.1
409.31000	3.3
421.30960	10.1
423.32529	6.0
437.30530	3.9
439.32056	5.9
449.30444	9.5
455.31558	79.0
456.31693	10.2
464.98743	3.2
467.31699	21.5
468.31879	4.9
485.32645	99.9
486.32883	8.9
496.34634	3.2
503.26614	4.8
503.33664	64.0
504.33975	5.6
507.32574	2.9
521.34454	16.7
617.37268	3.7
630.56604	2.9
643.34656	5.6
661.35602	4.5
679.36414	12.6
681.32031	3.2
691.39899	5.7
697.37750	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	1149.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03418	1.4
81.07061	5.3
83.04983	26.5
83.08611	0.5
85.02904	13.6
87.04482	2.6
90.25535	0.5
91.05482	6.3
93.07050	5.1
95.04974	2.3
95.08613	12.7
97.02893	11.9
97.06547	1.2
99.04491	1.3
101.06031	0.8
105.07034	10.4
107.04969	0.6
107.08591	9.6
109.02922	0.6
109.06512	1.4
109.10157	4.9
110.77409	0.6
111.04446	46.9
111.08005	0.6
112.04792	1.0
113.02350	1.4
113.06019	6.5
115.03951	3.1
115.05470	0.9
116.06246	1.0
117.05488	4.0
117.07041	2.4
119.08580	16.8
121.06525	2.2
121.10145	4.5
123.04431	0.6
123.08088	1.4
123.11724	1.5
125.06007	1.4
127.03934	2.1
128.06197	1.0
129.05484	24.5
129.07034	2.1
131.08569	10.6
133.06534	0.7
133.10120	9.9
135.08070	2.1
135.11714	3.6
137.05984	1.3
137.09621	1.6
137.13242	0.7
139.07565	0.8
142.07860	1.4
143.08578	6.8
144.09309	0.7
145.10135	17.3
145.11252	1.0
147.08052	3.0
147.11685	5.4
149.06046	1.2
149.09637	1.7
149.13252	2.7
151.07597	1.4
153.05513	1.0
155.08598	2.2
156.09271	1.2
157.10129	6.7
159.08086	1.7
159.11685	10.1
161.09647	3.1
161.13275	4.1
163.07552	0.7
163.11201	1.2
163.14818	2.5
168.09395	0.6
169.10168	1.8
170.10970	1.1
171.06540	15.2
171.07997	1.2
171.11685	5.6
172.12413	0.9
173.09628	1.2
173.13257	7.8
175.07539	1.0
175.11214	1.1
175.14824	5.7
177.12813	1.6
177.16443	1.2
179.07039	0.9
179.14386	0.6
181.04872	0.6
181.10149	0.7
182.10971	0.8
183.11668	4.9
185.09671	0.8
185.13269	7.2
187.11284	1.4
187.14824	31.1
188.15271	1.6
189.07588	50.0
189.12663	3.4
189.16376	4.0
190.07919	1.1
191.14275	2.6
193.12358	0.8
195.11728	1.3
197.07961	0.6
197.09676	0.8
197.13319	2.9
199.11243	1.6
199.14809	5.2
200.15256	0.6
201.12846	1.9
201.16406	9.3
203.10722	1.1
203.14323	21.7
203.17838	1.1
204.14673	1.3
205.12267	1.3
205.15907	3.5
207.06558	0.6
209.13316	1.5
211.14828	2.0
213.12772	1.3
213.16402	6.6
215.14400	3.3
215.18025	1.8
217.12285	1.0
217.15817	3.2
219.13893	1.2
223.14906	1.3
225.07607	2.5
225.12839	0.9
225.16479	2.0
227.14319	1.3
227.17996	2.3
229.12326	0.8
229.15750	2.6
231.13837	2.0
231.17430	1.3
233.15468	1.8
237.16464	1.0
239.18074	1.0
241.19571	1.6
243.08658	1.5
243.13870	1.7
245.15390	2.4
247.16989	1.3
253.19597	1.9
255.21132	0.6
259.16913	0.9
265.19623	1.0
267.21161	1.4
279.17422	0.7
279.21017	0.9
303.10822	0.8
307.24176	1.8
309.25772	1.7
321.11877	1.1
325.25220	1.2
353.24783	1.5
371.26315	1.3
373.29050	0.8
377.28680	0.8
387.26797	1.3
389.28476	2.1
391.29980	1.8
397.27524	0.7
405.27939	2.1
407.29733	4.1
409.30820	0.7
417.28003	2.8
419.29541	1.2
423.28888	1.1
433.27539	0.9
435.29022	8.2
437.30591	1.7
451.28378	3.5
453.29993	6.7
454.30484	1.0
455.26663	0.4
455.31546	18.3
456.32175	2.7
463.28336	2.5
469.29507	27.8
470.29724	2.4
471.30920	2.7
481.29453	5.3
487.30670	2.8
499.30518	17.4
500.30951	2.1
517.31610	100.0
518.31934	10.9
535.32629	6.7
587.35071	1.0
601.33429	1.9
609.34045	3.8
627.35352	6.3
628.35809	0.8
631.34979	1.3
649.35962	7.8
650.36359	0.9
687.37152	1.2
705.38239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
79.96278	0.4
81.03418	1.1
81.07067	3.5
83.04981	42.7
84.05312	0.8
85.02904	100.0
86.03234	0.8
87.04460	1.4
91.05468	3.3
93.07034	2.5
95.04964	2.1
95.08601	6.4
97.02890	19.0
97.06523	0.4
99.04432	3.0
101.06019	0.6
103.05422	0.5
105.07027	5.0
107.04980	0.6
107.08599	4.2
109.02838	0.7
109.06511	0.6
109.10143	1.9
111.04443	40.1
113.02340	0.4
113.06005	1.4
115.03929	5.5
117.05473	0.8
117.07007	1.3
119.08576	8.4
121.06518	0.9
121.10166	2.8
123.04486	0.6
123.08057	1.1
123.11740	0.5
125.05928	0.5
127.03915	7.4
128.06244	0.8
129.05482	15.2
129.07024	1.2
130.66205	0.4
131.08557	5.2
133.06505	0.9
133.10139	3.6
135.04451	0.6
135.08078	0.8
135.11673	1.4
137.05981	1.0
137.09628	0.7
139.03819	0.9
141.07056	0.6
143.03445	0.5
143.08557	3.3
145.10117	9.3
147.06462	0.7
147.08073	1.4
147.11708	2.2
149.06026	0.7
149.09595	0.7
149.13274	1.3
151.07538	1.1
153.05490	1.4
155.08549	1.5
156.09315	0.5
157.04956	1.1
157.10101	3.6
159.08028	1.0
159.11687	4.0
161.05994	0.6
161.09641	1.3
161.13263	2.9
163.11211	0.7
163.14822	1.5
165.12733	0.4
167.07094	0.5
169.10132	1.4
170.10947	0.8
171.06522	94.2
171.11601	2.9
172.06877	2.6
173.09706	0.7
173.13248	4.0
175.06055	1.6
175.07466	0.5
175.11153	0.9
175.14832	2.2
177.12752	0.6
177.16420	0.9
179.07021	0.5
181.10048	0.6
182.45149	0.4
183.11726	2.4
185.09731	0.5
185.13249	2.7
187.11252	0.7
187.14835	15.4
189.07581	78.7
189.12756	1.8
189.16269	2.0
190.07927	2.4
191.14313	1.3
195.06502	0.6
195.11746	0.6
197.13300	1.3
199.06053	0.7
199.11208	0.6
199.14842	3.4
201.12735	1.0
201.16388	3.9
203.10722	0.7
203.14308	10.6
204.14688	0.5
205.12300	0.8
205.15891	1.9
207.06548	0.9
207.13808	0.4
209.13290	0.7
211.05928	0.5
211.14830	0.5
213.12854	0.6
213.16383	3.8
215.14351	1.5
215.18015	0.9
217.12300	0.7
217.15875	2.0
219.13837	0.8
225.07610	3.0
225.16383	1.0
227.14478	0.5
227.17998	1.9
229.15918	1.1
231.13791	0.9
231.17372	0.8
233.15460	1.0
237.16391	0.6
239.18040	0.7
241.19609	0.7
243.08615	3.1
243.13756	0.5
245.15457	1.0
247.14665	0.4
247.17017	0.7
249.14758	0.7
251.17998	0.9
255.17688	0.6
261.09711	5.1
267.20865	0.5
279.21231	0.6
285.09714	1.7
303.10727	3.9
307.24316	0.5
309.25839	2.2
321.11737	3.5
333.12000	0.5
353.24561	0.6
366.14020	0.4
371.26718	0.9
389.28430	1.4
391.29953	0.5
392.06985	0.4
405.28223	0.9
407.29788	1.8
409.30951	0.6
417.27734	1.6
423.29083	1.0
425.30676	0.5
435.28857	3.3
437.30621	1.5
451.28418	2.2
453.29987	3.4
454.30118	0.6
455.31573	12.4
456.32092	1.1
463.28391	1.2
469.29495	15.7
470.29889	1.3
471.30798	1.0
481.29318	2.7
487.30606	2.2
499.30539	11.6
500.30890	1.2
517.31598	74.2
518.31976	8.5
535.32599	5.9
536.32623	0.5
587.35657	0.5
596.64520	0.5
601.33649	0.8
613.32910	0.7
631.34338	0.6
649.35815	4.4
650.36200	0.5
687.37079	1.6
705.38074	1.2
837.42383	0.6
947.23419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0393
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00304	0.8
53.03945	0.9
55.01879	6.8
55.05511	0.8
56.05039	6.5
56.96564	3.6
57.03440	5.0
57.93565	1.9
58.99858	0.5
59.05003	13.0
60.04536	0.9
62.34519	0.4
68.05019	0.8
69.03432	57.6
69.05370	0.5
69.07077	2.9
70.02946	0.9
70.03766	1.7
70.06593	100.0
71.01360	6.6
71.04994	1.9
71.08607	0.5
71.30774	0.5
72.04514	0.8
72.08145	0.4
72.93798	0.6
73.02922	4.5
73.06580	0.6
74.02451	0.6
74.06079	1.0
74.93832	10.5
76.44865	0.4
82.53395	0.4
83.01350	0.8
84.04507	5.1
85.02907	19.2
86.06067	0.6
87.00856	1.0
87.02711	0.6
87.04472	15.7
88.07626	1.0
92.94871	4.6
97.02894	29.4
97.06532	0.9
97.08450	0.5
97.52094	0.5
98.01294	0.8
98.03236	1.2
98.06048	1.6
98.07191	1.0
101.00893	3.1
101.01507	0.6
101.02577	0.5
102.02269	0.4
103.02433	0.6
110.95922	0.7
115.02834	2.7
115.03934	17.4
115.05347	1.1
115.08778	0.5
115.09513	1.6
115.96459	2.1
116.07092	9.3
116.08267	0.8
116.10718	0.8
116.97285	0.5
119.01925	27.5
120.02026	2.0
121.01598	0.5
130.84045	0.4
133.01656	1.4
133.03471	1.5
133.05090	0.4
133.97505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84340	0.3
55.01871	1.0
55.05516	0.7
57.93575	0.4
63.02367	1.1
65.03946	3.8
69.03416	0.9
69.07069	0.8
70.06593	14.5
73.06558	0.7
73.93812	0.4
74.06052	0.3
74.93835	3.4
81.81271	0.3
85.02901	0.4
88.07621	0.4
89.03917	9.8
90.04272	0.5
92.94835	0.8
100.92831	0.3
105.33292	0.3
115.05455	100.0
115.09508	1.2
116.05747	5.5
116.07102	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44514	0.4
63.02374	0.9
65.03943	3.4
69.07061	0.8
69.27782	0.8
69.28192	1.4
70.06593	6.0
74.93829	0.9
87.02351	0.5
89.03922	11.1
98.39857	0.3
98.49454	0.3
115.05457	100.0
115.09509	0.8
116.05744	5.3
116.07036	0.6
116.10745	0.4
128.31911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05507	0.5
57.03450	0.6
59.05001	0.3
63.02368	0.9
65.03940	3.5
69.03407	0.4
69.07079	1.4
70.06593	1.9
71.30520	0.3
71.30894	0.3
73.06551	0.3
73.93852	0.3
74.93843	0.5
79.05492	0.3
89.03923	10.0
89.35809	0.2
89.61017	0.2
97.02831	0.3
97.06517	1.1
108.72787	0.2
115.05459	100.0
115.21888	0.2
116.05727	4.4
118.85860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.2
56.82330	0.2
63.02360	0.8
65.03939	2.2
67.74691	0.2
69.07063	0.8
70.06605	0.5
70.36219	0.4
73.74925	0.2
76.30672	0.2
81.64320	0.2
89.03914	5.6
115.05453	100.0
116.05787	3.9
116.06322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03422	4.5
82.04185	1.4
85.02911	8.3
89.03928	2.9
91.05483	12.2
93.03396	2.6
93.07018	1.6
94.04161	1.9
95.04984	4.9
97.02895	2.9
97.06498	1.5
102.04691	1.5
103.05460	13.7
105.07012	4.8
107.04948	6.1
107.75167	1.6
110.03693	1.9
111.04383	2.1
113.88291	1.4
115.05442	9.8
117.07039	10.8
118.04147	3.0
119.04942	8.1
119.08575	1.8
121.06531	1.8
123.04436	7.6
124.05218	3.6
125.05956	4.1
127.05409	1.9
129.07045	2.5
131.04924	16.3
133.02878	10.1
133.06487	3.9
137.05983	22.7
145.06509	18.8
145.10016	1.6
146.03572	1.7
147.04395	9.7
147.08066	2.0
148.05247	3.6
149.05956	4.9
151.03937	3.8
151.07516	8.6
152.04735	3.8
153.05482	3.0
155.06041	4.9
159.08055	2.0
160.05147	3.7
161.05980	9.1
163.07523	14.5
165.05452	6.3
167.07040	100.0
168.07321	2.5
171.06596	2.5
172.05223	1.5
173.05988	22.7
175.07581	7.5
177.05438	5.1
179.07021	11.3
181.04959	79.4
182.05322	2.6
187.07507	2.9
191.07036	34.0
193.08521	2.9
195.06494	2.2
195.08128	2.1
201.05505	2.2
203.07040	7.8
205.08609	10.8
207.06406	3.4
207.10023	1.5
209.64122	1.6
213.05759	1.8
217.08569	4.8
219.06599	2.7
219.10147	2.8
223.07507	1.5
231.06372	1.9
233.08086	10.3
234.17366	1.6
235.09656	9.6
245.08194	1.8
263.06750	1.9
263.09177	14.8
265.10770	3.1
267.10043	2.5
277.08527	2.6
279.06543	1.8
292.07532	2.2
297.11203	5.3
299.09067	2.2
307.09772	2.0
309.11212	3.3
311.12683	2.1
313.10986	1.8
315.12244	1.4
325.10724	3.3
326.11505	1.9
327.12274	3.0
329.10092	3.4
339.12274	3.7
357.13229	8.9
367.11917	2.0
385.12790	20.0
386.13232	2.7
387.14255	4.2
399.14276	2.9
401.15903	1.9
403.13446	2.3
415.13779	4.9
416.14731	6.9
417.15408	35.6
466.14099	1.5
535.19476	1.9
547.19421	1.7
551.53961	1.7
565.13013	2.3
565.20831	32.4
565.29584	1.6
577.20349	6.4
579.22260	1.7
595.20990	4.0
613.22943	23.3
614.22552	2.9
775.27930	43.3
776.27594	6.2
889.30945	1.7
895.01550	1.7
937.32690	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	1152.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03413	3.6
82.04187	1.4
85.02906	7.6
91.05474	13.5
94.04167	1.6
95.04997	3.3
97.02893	3.4
97.06484	1.6
103.05464	12.9
105.03365	2.2
105.07018	2.9
106.04172	3.0
107.04958	8.1
110.03663	2.3
111.04432	2.4
115.05441	8.7
115.70226	1.3
117.07044	9.0
118.04171	1.6
119.04958	8.8
121.06483	2.1
122.03642	2.1
123.04444	7.5
124.05199	2.1
125.05973	3.3
127.05419	1.9
129.07008	2.0
130.04135	2.2
131.04919	11.9
133.02856	8.8
133.06476	4.4
137.05978	22.7
142.02655	3.1
143.04874	1.6
145.06493	11.3
147.04433	9.7
147.08000	1.4
148.05150	3.1
148.81398	1.5
149.05959	3.2
151.03894	5.4
151.07529	6.2
152.04709	3.4
153.05467	4.6
155.06017	4.7
160.05229	2.3
161.05978	7.2
162.06624	1.7
163.07529	10.9
165.05472	3.4
167.07034	100.0
168.07457	2.3
171.06647	2.2
173.05977	18.7
175.07510	5.9
177.05432	3.8
179.06996	8.5
181.04955	69.1
182.05304	1.7
187.07631	2.7
189.05432	2.0
190.06189	1.6
191.07021	30.1
193.04990	1.5
193.08760	1.7
195.06479	2.5
201.05508	3.4
203.07016	8.4
204.08043	1.6
205.08572	11.1
207.06535	3.4
207.10121	1.4
209.07997	2.0
217.08577	5.1
219.10181	2.1
221.05946	1.7
221.07986	2.9
223.07686	2.1
231.06548	1.8
233.06004	2.1
233.07928	6.9
234.06577	2.1
235.07600	1.7
235.09680	6.0
249.08969	1.9
255.10210	2.0
263.06796	2.2
263.09183	12.4
265.08496	3.5
267.10284	2.0
277.08575	2.7
285.11069	1.6
297.11081	3.6
299.09125	1.8
307.09625	2.2
309.11206	2.8
311.09241	1.4
325.10623	5.2
327.12347	3.6
335.01843	1.4
339.12228	3.0
355.11774	2.9
357.13214	8.6
383.14816	1.8
385.12781	17.0
387.14307	3.6
397.12408	1.6
399.14453	2.8
403.13791	2.9
415.13736	4.1
416.14792	7.0
417.15454	32.4
418.15500	1.9
535.19714	1.8
565.20618	26.2
566.20856	2.5
577.20197	6.6
595.21246	4.1
613.22760	19.8
614.22443	2.1
727.25983	2.3
775.27948	41.3
776.28027	5.2
937.32928	9.3
938.32544	2.3
949.78973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.5967
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03427	4.5
81.07080	12.5
83.04990	17.0
83.08628	4.5
83.94822	2.9
85.02907	100.0
85.06553	8.9
87.18385	2.4
91.05504	14.1
93.07054	14.6
95.04972	5.5
95.08612	29.8
97.02905	13.6
97.06538	4.0
105.07033	29.8
107.04973	3.4
107.08589	25.5
109.06549	3.1
109.10191	14.1
111.04462	10.3
115.05509	5.2
117.03413	2.5
117.07014	2.7
119.08587	44.6
121.06573	8.1
121.10181	16.3
123.11721	7.7
127.03946	11.4
129.05476	33.0
131.04961	3.0
131.08575	21.1
133.10118	22.4
135.11723	11.8
137.09601	3.6
143.08586	9.0
145.03992	2.9
145.04909	12.6
145.10121	28.4
147.06543	19.7
147.07619	3.2
147.08011	2.8
147.11723	12.1
149.13257	11.8
155.08597	3.5
156.09319	2.8
157.10138	10.9
159.11739	17.2
161.05943	3.3
161.13228	18.1
163.07590	3.3
163.14845	9.0
165.12759	4.5
167.07079	4.9
169.10117	3.9
171.11676	5.8
172.12434	4.0
173.13313	13.6
175.14861	19.2
177.12819	3.8
177.16479	7.3
179.14291	3.9
183.11755	3.0
185.13344	6.7
187.11259	3.1
187.14844	57.6
188.15187	3.7
189.16364	14.9
191.07076	6.6
191.14294	3.9
193.16000	3.7
197.13232	3.2
199.14859	9.0
201.16379	27.0
203.14360	26.3
203.18030	7.2
205.15887	7.6
207.06650	4.3
209.15436	3.3
211.14711	3.2
213.16409	14.0
215.14236	3.5
215.17986	6.3
217.15974	7.0
221.15332	3.2
223.17027	3.1
225.16699	3.2
227.18016	6.1
231.17458	5.9
235.16933	8.0
239.16476	8.5
241.19604	3.1
255.08673	4.8
273.09692	4.9
275.64807	2.9
309.11609	8.1
349.28842	5.0
365.28427	4.3
387.30618	2.9
393.28003	4.0
405.31592	8.5
407.33136	4.3
413.30499	8.0
423.32666	17.3
429.30121	2.9
433.30847	6.1
441.33606	15.9
443.35504	4.6
451.31973	15.4
469.33066	31.4
470.33441	5.0
487.34229	49.0
488.34149	5.2
505.35162	18.1
506.35391	3.5
627.98010	2.8
1155.36365	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	116.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.05512	3.1
56.96570	43.7
69.85757	10.6
71.95255	11.1
72.08144	7.8
76.43974	2.5
76.93362	7.7
78.21956	2.9
81.07072	4.3
91.05489	5.5
94.01902	2.9
97.55337	3.0
98.96928	5.3
98.97586	100.0
115.05460	5.3
116.98627	64.3
117.07009	7.7
118.08649	7.2
134.99675	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0702
Annotation	INDENE
Peak:m/z	Relative Intensity
51.02380	0.6
53.03950	1.5
54.05833	0.2
54.63168	0.2
58.06603	0.4
59.07381	0.4
65.03940	1.0
71.06913	0.4
71.31649	0.3
72.04504	0.3
72.08158	0.5
74.18159	0.2
76.92868	0.8
77.03927	0.4
81.03405	0.3
82.97356	0.2
87.05765	0.2
89.03923	0.3
91.05480	54.0
92.05811	1.8
95.04972	3.4
105.04536	1.5
107.04809	0.2
115.05455	100.0
116.05801	5.2
116.06240	1.2
117.07017	99.2
118.06532	3.9
118.07355	6.0
118.08675	0.8
137.57753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55886	3.3
51.02372	4.1
52.72524	2.6
53.03748	3.6
53.03957	31.5
55.05526	4.8
56.96560	6.6
57.03444	46.4
58.06602	4.8
59.04990	6.3
61.02919	4.3
63.02373	15.6
70.06603	14.3
71.04999	37.2
71.06929	37.0
71.08636	6.4
71.31059	3.3
72.04511	3.8
72.08157	11.9
76.93379	20.0
77.03917	6.5
79.05504	6.5
81.03429	4.2
81.07072	13.9
89.03923	82.0
89.06054	4.9
90.04727	3.4
91.05489	62.2
91.06063	3.1
92.38923	3.1
94.94429	7.2
95.04989	29.3
97.25524	3.3
98.97589	8.8
99.08129	7.4
100.07600	3.0
105.04512	13.0
115.05463	100.0
116.05750	3.4
116.98634	11.1
117.05790	4.6
117.07021	95.7
117.09155	3.9
117.95950	3.3
118.04179	2.8
118.06552	53.4
118.07320	6.3
118.08660	13.4
121.54878	2.8
134.99701	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01593	2.4
51.02382	12.1
53.03949	82.2
54.04275	3.5
55.01865	4.4
58.06592	3.2
58.14124	1.1
59.07381	1.5
62.26252	1.2
65.03931	3.1
66.78947	1.1
69.87927	2.9
69.88324	2.6
72.08147	2.0
77.03928	16.6
77.39800	1.2
77.81680	1.4
78.04717	1.3
79.05506	3.8
81.03431	10.2
84.40966	1.2
91.05483	85.4
92.05827	1.9
93.07073	2.7
94.77341	1.3
95.04972	100.0
96.05296	1.3
101.08344	1.3
103.05479	5.1
103.29025	1.4
104.06234	6.2
105.04517	44.4
109.06537	1.4
109.76437	1.4
115.05436	3.0
116.05790	5.3
117.07034	14.8
118.06549	92.4
118.07327	6.3
118.08669	5.7
119.06077	5.1
119.06889	5.7
119.08582	41.5
123.28996	1.4
124.80182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03945	2.0
55.05523	0.9
57.93402	0.6
58.06599	2.1
59.07383	0.9
59.93110	1.0
65.03934	1.9
71.31347	1.0
72.08154	4.6
76.93372	7.2
90.04282	0.7
91.05481	56.5
92.05823	1.5
93.79824	0.6
94.94414	2.9
95.04965	0.8
105.04433	0.6
112.54849	0.7
117.05769	6.9
117.07057	1.1
118.06542	100.0
118.08620	3.8
119.04914	1.6
119.06066	1.9
119.06874	4.4
119.08580	1.2
120.01922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01594	2.1
51.02382	11.6
52.62521	1.0
53.03948	88.7
54.04283	2.2
55.01865	4.3
58.06594	1.2
60.31178	1.2
65.03937	5.7
68.99790	1.1
69.51845	4.8
76.93356	1.5
77.03924	17.5
79.05508	2.5
81.03417	8.9
91.05482	49.2
93.07026	1.7
95.04970	99.5
96.05299	3.7
98.22641	1.4
103.05478	3.6
104.06253	5.7
105.04515	45.9
106.04880	1.9
115.05466	3.3
115.56770	1.0
116.05780	3.8
117.07039	8.9
118.06546	100.0
118.07281	4.4
119.04948	3.7
119.06892	4.8
119.08578	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01595	3.2
51.02393	9.1
51.02588	1.8
53.03951	90.6
54.04274	2.2
55.01865	3.9
56.86674	1.4
58.43097	1.3
66.96218	1.3
67.02283	2.0
70.67683	2.5
77.03929	18.4
79.05512	3.6
81.03418	9.4
87.13853	1.4
91.05486	60.8
92.05820	3.6
93.07051	2.1
95.04973	100.0
96.05304	4.3
103.05481	5.7
104.06261	5.9
105.04519	46.0
106.04878	1.9
109.76396	1.4
115.05448	1.5
116.05762	7.4
117.07035	11.2
118.06558	97.2
118.07353	9.5
119.06898	6.6
119.08592	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	3.2
51.02182	1.5
51.02386	9.7
53.03950	81.8
54.04277	2.5
55.01868	4.6
63.34811	1.6
67.03440	1.5
70.10767	1.6
77.03934	14.2
77.71991	1.3
79.05521	3.1
81.03414	9.7
91.05484	55.4
92.05801	2.8
93.07038	1.4
95.04970	95.3
96.05299	5.0
103.05537	2.2
104.06247	3.2
105.04523	41.3
106.04886	2.8
115.05451	1.8
116.05805	6.0
117.07006	7.0
118.06553	100.0
118.07338	9.9
119.04966	1.6
119.06116	2.0
119.06898	4.1
119.08593	19.8
137.46301	1.4
139.32587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	3.2
51.02382	10.9
53.03951	86.9
54.04280	2.6
55.01869	4.1
58.06598	1.8
59.07393	1.3
62.30520	1.0
65.03925	2.4
68.49136	1.2
71.11643	1.3
77.03928	14.4
79.05500	3.6
79.75285	1.2
81.03410	7.6
91.05484	79.5
92.05816	3.6
93.07026	2.8
95.04971	99.9
96.05314	3.6
103.05453	6.9
104.06245	8.4
105.04521	46.0
106.04871	1.3
115.05454	3.8
116.05783	7.1
117.07027	14.9
118.06554	100.0
118.07349	10.9
118.08666	3.6
119.06065	2.9
119.06876	5.0
119.08580	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01596	2.9
51.02388	10.0
51.81547	0.7
53.00312	0.9
53.03949	60.8
54.04282	1.7
54.30034	0.8
55.01876	2.9
57.46333	0.9
60.61940	0.8
64.97073	0.8
65.03941	10.0
77.03936	13.0
78.04715	1.4
79.05501	4.3
81.03415	5.1
90.04749	1.2
91.05482	100.0
92.05811	6.3
93.07034	4.5
95.04971	66.2
96.05312	2.7
98.23422	2.7
103.05479	7.6
104.06254	7.5
105.04521	32.6
105.05218	1.7
106.04838	1.1
108.20711	0.9
109.06487	1.0
115.05470	4.6
116.05789	17.6
117.07021	26.4
118.06549	68.5
118.07373	20.2
119.04963	5.7
119.06116	1.7
119.06814	3.9
119.08581	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03954	0.9
55.05515	18.5
56.05035	0.5
57.05812	1.3
58.06601	39.9
59.05007	0.9
59.07385	38.7
60.04524	2.0
60.08168	0.7
65.03938	0.6
69.59117	0.9
69.59525	1.8
70.06599	0.5
72.08157	84.4
73.08486	2.3
76.23784	0.4
82.06580	8.3
83.05023	0.5
83.06885	0.5
83.98022	0.5
91.05482	3.6
98.23360	0.7
100.07660	2.3
118.08657	100.0
118.12299	1.6
119.04906	0.8
119.09010	3.2
137.06454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09387	3.0
55.05501	4.0
56.96565	5.0
62.39859	3.2
67.05505	4.5
71.26978	3.8
71.30626	3.6
83.24097	3.6
91.05486	10.7
93.07047	5.0
101.00880	30.0
103.02437	6.5
107.05256	6.1
108.19448	3.8
116.05785	4.7
117.51843	3.8
119.01918	100.0
120.02027	7.8
121.03417	5.3
137.02951	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	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09387	3.0
55.05501	4.0
56.96565	5.0
62.39859	3.2
67.05505	4.5
71.26978	3.8
71.30626	3.6
83.24097	3.6
91.05486	10.7
93.07047	5.0
101.00880	30.0
103.02437	6.5
107.05256	6.1
108.19448	3.8
116.05785	4.7
117.51843	3.8
119.01918	100.0
120.02027	7.8
121.03417	5.3
137.02951	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02377	0.2
51.39288	0.1
53.03949	0.9
55.01876	1.0
55.05516	0.2
65.03938	15.0
66.04267	0.4
67.05504	2.7
69.00143	0.1
70.53333	0.4
71.74893	0.1
72.63541	0.1
77.03910	0.2
78.04701	0.4
79.05489	2.0
81.03407	0.2
91.05477	100.0
92.05801	4.5
92.06356	0.2
93.07043	1.4
95.04963	1.9
96.05288	0.4
102.04684	0.3
103.05464	3.6
104.06250	2.7
104.56297	0.1
105.04519	0.6
106.04820	0.2
109.06513	16.0
110.06838	0.9
115.05444	1.7
117.07014	6.8
118.07319	0.4
119.04934	14.4
119.06051	11.4
119.06798	0.7
119.08572	18.5
120.05172	0.8
120.06393	0.6
120.08239	0.8
120.08790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.2
53.03944	0.5
53.74805	0.1
55.01876	0.9
55.05519	0.2
56.58533	0.1
59.05000	0.3
61.36420	0.1
63.02378	0.2
65.03941	17.3
66.04276	0.6
67.05508	2.6
68.05827	0.2
68.99823	0.1
74.06074	0.2
79.05482	1.1
91.05481	100.0
92.04987	0.2
92.05810	4.3
93.07041	0.9
95.04967	1.2
96.05323	0.3
98.22614	0.1
103.05472	3.1
104.06264	1.3
105.04506	0.3
109.06518	18.6
110.06844	0.9
115.05425	0.8
117.07019	3.2
118.07345	0.1
119.04939	15.7
119.06054	12.7
119.06768	0.4
119.08578	8.0
120.04438	0.3
120.05383	1.0
120.06408	0.6
120.08119	2.0
120.08924	0.4
121.06524	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	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
51.02378	0.2
53.03939	0.6
54.04285	0.1
55.01871	1.0
55.05520	0.1
57.81838	0.1
63.02369	0.2
65.03941	15.8
66.04269	0.4
67.05505	2.9
69.27909	0.6
77.03931	0.2
78.04289	0.1
78.04716	0.5
79.05492	1.7
81.03432	0.1
91.05480	100.0
92.05807	4.5
92.06361	0.2
93.07050	1.3
95.04973	1.7
96.05314	0.2
102.04680	0.1
103.04782	0.2
103.05465	3.4
104.05599	0.2
104.06254	2.8
105.04510	0.4
109.06518	17.7
110.06834	0.8
115.05453	1.4
117.07021	6.9
118.07333	0.3
119.04944	15.3
119.06059	12.3
119.06750	0.4
119.08574	15.1
120.05208	0.7
120.06388	0.6
120.08096	0.6
120.08916	0.9
121.06532	0.1
131.06041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.01592	0.1
51.02379	0.2
53.03952	0.2
55.01873	1.1
55.05519	0.1
56.02191	0.1
63.02379	0.3
65.03939	18.5
66.04272	0.4
67.05502	3.2
68.05847	0.2
69.06663	0.4
69.07078	0.3
77.03919	0.2
78.04716	0.1
79.05489	0.4
89.03898	0.1
91.05479	100.0
92.05807	4.8
93.07051	0.2
95.04971	1.3
96.05315	0.1
103.04982	0.1
103.05483	0.8
104.05727	0.1
104.06248	0.6
105.04564	0.1
108.02026	0.1
109.06515	22.2
110.06841	0.9
112.84915	0.1
115.05470	0.3
117.07010	1.8
118.07428	0.1
119.04940	18.6
119.06052	14.1
119.06731	0.4
119.08561	3.5
120.05274	1.2
120.06400	0.7
120.08131	0.1
120.08890	0.2
124.20421	0.1
132.08095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02387	0.4
52.70590	0.4
53.03951	1.0
55.01883	0.8
65.03948	18.8
66.04277	0.6
67.05498	2.5
68.26284	0.4
69.13034	0.9
69.13441	2.3
79.05498	1.0
79.08254	0.4
91.05490	100.0
92.05013	0.6
92.05255	0.5
92.05823	4.5
93.07046	1.0
93.26151	0.3
95.04962	1.7
98.22554	0.7
103.05474	3.3
104.06262	1.9
105.04558	0.6
109.06528	19.0
110.06861	1.1
115.05445	0.9
117.07043	3.0
118.05307	0.4
119.04959	15.4
119.06076	12.8
119.06754	0.5
119.08592	8.0
120.04486	0.8
120.05558	2.3
120.06405	0.9
120.08114	3.6
120.08865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56597	0.4
53.03946	3.7
55.68045	0.4
59.70392	0.4
61.53464	0.4
62.56248	0.4
65.03951	3.9
67.05510	0.6
77.03918	0.8
78.04707	1.7
79.05499	7.5
91.05480	100.0
92.05816	5.1
93.07037	5.8
93.61940	0.4
95.04976	3.4
96.05293	0.6
102.04712	0.4
103.05466	12.7
104.06263	11.4
105.04523	1.3
105.06586	0.5
109.06496	1.5
115.05456	5.8
117.07021	30.7
118.07367	2.3
119.04948	1.5
119.06062	1.4
119.08578	76.7
120.08097	1.0
120.08880	5.5
121.06484	0.8
131.06036	0.9
136.18384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02378	0.7
53.03949	3.9
54.04297	0.4
57.98166	0.4
58.36068	0.4
65.03934	5.6
67.05490	0.5
67.91859	0.4
68.83443	0.4
71.16483	0.8
75.55277	0.4
77.03937	1.0
78.04706	2.0
79.05492	8.3
88.29037	0.4
91.05479	100.0
92.05811	5.6
93.07043	6.0
95.04964	3.5
96.05333	0.5
98.38028	0.4
98.60989	0.4
102.04692	1.0
103.05470	12.9
104.05603	0.7
104.06256	13.8
105.04510	1.7
106.04831	0.5
109.06530	2.0
115.05457	6.1
117.07016	26.3
118.07331	1.2
119.04943	2.0
119.06078	2.1
119.08578	85.0
120.08093	0.7
120.08910	5.1
131.06078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02371	0.6
53.03949	3.9
56.79713	0.7
65.03943	6.3
65.54746	0.5
69.29865	3.3
78.04699	1.6
79.05494	8.0
91.05482	100.0
92.05810	5.0
93.07043	5.5
95.04975	3.9
96.05280	0.7
102.04690	1.0
102.50204	0.6
103.05466	13.3
104.05611	0.8
104.06256	12.4
105.04502	1.3
105.06557	0.9
109.06511	2.2
115.05446	6.5
117.07024	27.0
118.07378	1.9
119.04933	2.0
119.06205	2.9
119.08581	88.8
120.08105	1.4
120.08920	5.6
121.06562	0.8
131.06056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02383	0.5
53.03955	3.2
56.95030	0.5
63.02369	0.5
65.03933	4.3
66.09788	0.4
67.05493	0.5
69.15168	3.3
74.03836	0.4
77.03927	1.1
77.26849	0.4
78.04299	0.4
78.04710	2.2
79.05495	7.7
91.05483	100.0
92.05815	5.5
93.07048	6.7
95.04974	4.2
102.04680	0.6
103.05474	17.6
104.06264	15.7
105.04540	1.5
105.06579	0.5
109.06503	1.7
115.05463	8.5
117.07024	45.2
118.07337	3.0
119.08583	76.5
120.08908	5.5
121.06483	0.6
125.32627	0.4
131.06067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.5
51.02380	0.6
53.03952	4.0
54.04288	0.9
55.89135	0.5
65.03937	5.7
71.31811	0.5
74.06079	0.5
77.03921	0.8
78.04710	2.1
79.05492	7.4
91.05482	100.0
92.05009	0.5
92.05813	5.3
93.07043	7.4
95.04961	3.7
96.05286	0.6
102.04723	0.6
103.05469	18.5
104.06267	14.4
105.04521	1.7
106.50375	0.4
109.06534	0.8
109.63191	0.5
115.05458	7.7
117.07021	38.9
118.07369	1.6
119.06060	3.9
119.08581	73.4
120.04443	1.2
120.05586	2.5
120.08095	4.0
120.08929	5.4
131.06099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02377	0.6
53.03944	2.4
54.04287	0.5
65.03941	12.9
66.04274	0.4
67.05507	0.6
69.30674	0.5
69.31078	1.1
71.31989	0.3
77.03920	0.6
78.04708	1.2
79.05494	5.8
81.38512	0.3
89.03941	0.3
91.05481	100.0
92.05811	4.7
93.07043	4.1
95.04960	3.1
96.05318	0.8
98.23376	0.5
98.57699	0.3
102.04697	0.3
103.04779	0.5
103.05467	11.1
104.06258	8.9
105.04515	1.2
105.06571	0.4
109.06541	0.5
115.05448	4.0
117.07019	15.8
118.07352	1.1
119.04082	0.6
119.04941	11.0
119.06084	1.1
119.06823	1.4
119.08579	57.9
120.05516	0.9
120.08096	4.2
120.08932	3.3
121.06510	0.5
131.06044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02377	0.7
53.03944	3.3
54.04289	0.5
55.01847	0.3
61.51533	0.3
65.03941	5.7
67.05509	0.5
69.30798	2.2
77.03937	0.9
78.04706	1.3
79.05494	6.6
80.05815	0.5
81.03437	0.4
91.05482	100.0
92.05816	4.7
93.07046	5.9
93.49351	0.3
93.91252	0.3
94.07355	0.4
95.04967	3.9
96.05302	0.9
98.23359	0.6
102.04670	0.5
103.05470	14.9
104.06258	12.6
105.04529	1.9
105.06561	0.8
109.06539	2.0
110.49296	0.3
115.05455	7.9
116.05748	0.5
117.07019	37.4
118.07330	1.9
118.99879	0.3
119.05010	1.7
119.06071	1.5
119.08579	71.6
120.04490	0.4
120.05555	0.3
120.08105	1.0
120.08896	5.0
121.06490	0.7
131.06093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64185	0.5
53.03956	3.1
54.04290	0.6
65.03942	4.8
67.05486	0.5
71.49525	0.5
74.06074	1.0
77.03905	1.1
78.04719	1.3
79.05492	7.2
86.57668	0.4
91.05483	100.0
92.05827	4.0
93.07044	6.2
95.04993	3.9
96.05309	0.6
98.23368	2.2
100.81776	0.5
102.04679	0.9
103.05469	16.9
104.06258	11.5
105.04539	1.0
106.04833	0.6
107.59699	0.5
109.06506	1.0
115.05459	7.6
117.07022	37.8
118.07378	2.6
119.04989	1.0
119.06059	2.8
119.08582	60.8
120.04420	0.5
120.05627	2.3
120.06342	0.4
120.08097	3.9
120.08943	4.0
121.06511	0.5
122.43834	0.5
131.06036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02388	0.5
53.03944	3.7
54.04295	0.8
61.17055	0.5
63.02367	0.5
65.03942	5.1
67.05508	1.2
71.00786	0.4
71.30567	0.8
77.03927	1.0
78.04713	1.2
79.05498	8.0
80.05831	0.5
89.03897	0.7
91.05483	100.0
91.98759	0.5
92.05833	4.6
93.07054	6.4
95.04978	4.0
96.05314	0.7
98.20422	0.6
102.04673	0.6
103.05475	16.7
104.06265	14.1
104.06963	0.8
105.04507	1.7
105.06553	0.7
109.06504	1.2
111.50647	0.5
115.05464	6.3
117.07021	43.9
118.07320	2.4
119.06100	1.7
119.08580	75.6
120.05584	0.5
120.08111	1.0
120.08924	4.3
121.06523	0.7
131.06027	1.0
132.32312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.4
50.68581	0.4
51.02382	0.5
52.80705	0.3
53.03947	4.7
54.00717	0.4
54.04284	1.2
55.09694	0.5
55.88468	0.4
65.03944	7.1
69.60411	0.9
69.60804	1.2
77.03928	0.7
78.04327	0.4
78.04689	2.3
79.05494	8.2
86.76038	0.4
88.20101	0.4
91.05486	100.0
92.05818	5.0
93.07049	6.0
95.04967	3.9
96.05324	1.9
98.23335	0.6
102.24109	0.4
103.05473	15.4
104.06266	13.7
105.04538	1.6
105.06555	0.5
106.04816	0.5
109.06529	1.7
115.05462	6.7
117.07026	22.5
118.06630	0.4
118.07390	1.6
119.04964	2.8
119.06083	1.8
119.06839	2.2
119.08585	89.7
120.05559	0.6
120.08106	2.6
120.08932	6.4
121.06557	0.8
137.95590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03944	9.0
54.23407	0.7
55.01864	2.6
55.05513	4.6
65.03941	90.5
66.04280	2.0
67.05498	5.0
69.04280	2.0
69.04675	7.7
70.08366	0.8
77.03923	2.2
78.04685	2.4
79.05492	30.8
79.88219	0.8
80.05816	1.4
81.03415	1.2
81.07060	1.6
91.05484	27.5
92.05790	1.1
93.03398	13.0
93.07040	41.1
94.07385	2.3
95.04957	9.1
98.03670	2.4
103.05474	10.7
105.04506	5.1
105.07030	36.3
105.07746	1.4
106.06633	0.8
106.07864	1.8
107.07345	5.9
111.04443	11.8
112.04769	0.8
113.59066	0.7
119.08583	5.2
121.02863	100.0
121.03964	24.7
121.06503	18.6
121.10136	19.4
122.03206	4.7
122.05984	1.2
122.09660	5.0
122.10428	1.0
123.08041	2.5
133.07603	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01599	1.2
51.02376	3.0
51.30529	0.4
53.03947	24.6
54.04274	1.1
55.01871	5.6
55.05503	2.2
61.58753	0.5
65.03940	9.3
67.05502	2.9
67.74420	0.4
67.80923	0.5
69.12237	4.4
77.03922	5.1
78.04717	1.2
79.05491	22.3
80.05006	1.4
80.05802	0.9
81.03419	3.8
81.04565	1.2
88.33227	0.4
91.05479	70.7
92.05805	3.2
93.03366	0.5
93.07042	64.4
94.04179	0.9
94.06566	1.5
94.07385	3.4
95.04969	35.0
96.05288	1.0
102.04681	2.4
103.05467	100.0
104.05779	5.3
105.03438	0.8
105.04514	17.4
105.07028	35.0
106.04842	0.7
106.06610	0.6
106.07233	0.9
106.07829	1.8
107.07333	9.1
108.29243	0.5
111.04441	1.4
119.08582	4.5
121.02895	6.1
121.04094	2.7
121.06504	73.0
121.10134	15.4
122.05998	2.4
122.06882	3.9
122.09667	11.9
122.10471	1.1
123.08070	2.9
124.90429	0.5
133.07643	2.3
137.86952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	2.1
53.03951	13.0
55.01859	3.3
55.05521	8.2
65.03949	4.8
67.05508	45.6
68.05843	1.7
71.31311	1.1
77.03957	1.3
79.05497	100.0
80.05020	2.8
80.05819	2.7
80.06246	1.0
81.07066	1.3
82.42667	0.9
85.60856	1.0
91.05485	31.4
92.05789	1.8
93.07044	98.9
94.06553	2.4
94.07373	4.5
95.04972	16.1
103.05479	14.7
105.04542	5.2
105.07034	43.5
106.06530	1.0
106.07282	1.5
107.07331	3.6
119.08575	6.3
121.04002	1.8
121.06512	19.5
121.07502	1.5
121.10143	42.9
122.06062	5.2
122.06833	1.4
122.09653	7.0
122.10521	3.0
123.08070	3.7
133.07597	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01582	0.8
51.02374	2.9
53.03947	24.9
54.04271	0.8
55.01878	3.5
55.05509	3.0
65.03934	3.7
67.05499	1.9
69.21131	3.6
69.21535	1.9
77.03917	5.8
77.11751	0.8
78.04725	0.8
79.05493	51.0
80.05818	2.3
81.03418	3.4
81.07035	1.7
91.05479	59.7
92.05807	2.9
93.07043	59.1
94.04146	1.0
94.06547	0.7
94.07375	2.5
95.04967	30.9
96.05275	1.1
102.04659	0.8
103.05468	61.4
104.05770	3.3
105.01704	0.8
105.04530	13.6
105.07029	100.0
106.07288	2.7
106.07935	5.7
107.07330	3.1
107.17178	0.7
119.08580	15.4
119.09969	0.7
120.05721	1.4
120.08923	1.1
121.02858	2.0
121.06505	68.0
121.10138	45.3
122.06032	1.3
122.06853	4.2
122.09658	3.6
122.10372	3.7
123.08058	8.6
124.08459	0.7
133.07603	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	2.1
53.03711	1.8
53.03947	16.6
55.01864	3.6
55.05514	17.2
56.39285	0.8
57.56253	0.9
65.03941	5.2
65.78790	1.0
67.05505	35.2
68.45406	0.8
70.23859	3.2
77.03922	3.1
78.04723	2.2
79.05492	100.0
80.05011	1.6
80.05825	3.5
80.06264	1.3
81.07083	1.2
91.05482	42.4
92.05791	2.4
93.04488	1.0
93.07043	93.5
94.06580	2.3
94.07363	4.5
95.04967	17.9
103.05465	13.7
104.05781	1.1
105.04488	6.8
105.07030	36.9
106.07865	2.0
107.07336	7.1
112.03947	1.2
119.08548	5.1
120.08916	1.0
121.02862	2.1
121.03996	1.5
121.06514	26.3
121.07545	1.7
121.08375	1.1
121.10140	34.7
122.06031	6.5
122.06828	1.8
122.09680	11.0
122.10473	2.0
123.08044	3.7
128.79254	1.1
133.07666	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02385	0.9
53.03947	8.5
55.05513	1.4
65.03935	1.0
67.05489	0.7
70.66199	1.1
74.54666	0.5
77.03940	1.2
79.05494	41.9
80.05832	1.4
80.06253	0.5
81.03408	1.0
81.04538	1.3
81.07055	1.3
85.30062	0.5
86.26044	0.5
90.63081	0.5
91.05475	15.7
92.05827	0.8
93.07045	18.6
93.07631	1.1
95.04967	8.8
95.06061	0.8
98.80109	0.5
103.05471	22.1
104.05799	1.4
105.04547	4.0
105.07030	100.0
106.07301	3.1
106.07828	5.9
119.08578	15.4
120.05736	0.6
120.08926	0.9
121.06462	1.8
121.10141	40.9
122.06067	0.7
122.07146	3.9
122.09673	0.9
122.10476	2.7
123.08064	10.2
131.96443	0.5
133.07634	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	122.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42818	0.4
53.00308	0.4
55.01876	2.0
56.70618	0.4
65.03947	15.1
65.85622	0.5
66.04728	77.5
67.05061	1.9
67.05480	2.1
69.71352	0.7
69.71745	1.7
74.10418	0.3
76.03120	0.4
78.22239	0.4
79.01858	0.8
79.05495	1.6
80.05021	3.7
81.04540	0.8
81.07065	5.5
82.00912	0.4
93.03426	2.1
93.05806	0.8
93.07035	0.6
94.04193	100.0
94.06556	1.2
95.04496	3.7
95.05016	0.5
95.08612	1.3
96.04517	0.7
98.22655	0.6
103.05473	0.8
104.04977	0.5
104.05733	0.4
105.07035	2.1
107.07352	5.4
110.06085	0.5
112.03979	0.9
121.02856	0.4
122.03654	8.2
122.06042	5.2
122.07951	0.4
122.09684	9.0
122.10550	0.8
123.05557	3.8
123.06360	0.6
123.08076	2.5
123.09170	1.0
123.11687	0.9
131.72966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02379	1.1
53.03948	12.4
54.04268	1.2
55.01868	1.7
55.05268	1.0
55.05514	14.4
57.03437	3.0
57.07080	3.9
59.38099	0.7
65.03939	4.1
67.05505	51.9
68.05016	1.2
68.05836	1.0
69.03433	1.8
69.07059	2.4
69.28049	5.2
69.28438	1.3
76.66258	0.6
77.03942	2.9
78.03445	1.7
79.05493	100.0
80.05025	7.1
80.05820	5.8
80.06278	1.7
81.03419	12.3
81.07056	81.5
82.07381	3.9
91.05473	2.7
93.07044	11.8
94.04191	4.4
94.07804	0.8
95.04968	19.7
95.08604	40.4
96.04497	6.6
96.08099	1.3
96.08943	2.4
98.22644	1.2
101.00879	2.1
103.05480	0.9
105.03394	15.7
105.04474	4.8
105.07038	6.2
106.07381	0.7
107.04935	2.9
108.05744	14.5
108.07681	1.7
108.09370	0.9
109.06070	0.7
112.03954	6.6
119.01922	13.9
121.06496	2.7
121.10105	1.3
123.04427	14.2
123.05536	5.2
123.08070	42.3
123.09891	1.4
123.11710	16.9
124.03951	27.2
124.04754	1.0
124.07590	2.4
124.08408	3.0
124.12059	0.7
137.02945	4.8
137.34972	0.6
140.03418	2.1
143.82387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02371	0.9
53.03946	6.4
55.01879	1.4
55.05513	6.3
56.75085	0.7
57.07082	1.0
65.03953	2.4
66.22097	0.7
67.05506	40.7
68.05029	0.7
68.05836	1.5
69.03434	1.2
69.07083	0.8
71.16412	0.8
77.03920	1.5
78.03460	1.3
79.05495	21.1
80.05022	5.9
80.05836	1.3
80.06278	4.6
81.03430	2.1
81.07058	25.1
82.07417	1.3
90.04709	1.6
91.05475	2.3
93.07061	10.5
95.04977	8.3
95.08607	56.6
96.04486	7.2
96.08123	0.8
96.08970	2.6
100.02470	1.4
100.47607	0.5
101.00880	7.5
103.05445	4.1
105.03374	0.7
105.04526	2.4
105.07034	21.2
106.07362	1.9
107.04958	17.5
108.05744	93.6
109.06081	3.3
111.05515	0.7
112.03983	8.2
117.33362	0.6
118.03504	0.8
119.01924	35.6
121.06509	13.6
122.06815	0.8
123.04445	4.3
123.05566	7.7
123.08072	100.0
123.09990	2.6
123.11683	4.3
124.03954	22.2
124.07578	2.0
124.08423	7.7
125.05996	0.9
133.07709	0.6
135.05582	1.1
137.02956	15.9
140.03392	3.6
140.69421	0.7
142.03479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03944	2.4
55.05509	4.8
57.07077	5.5
65.03936	1.0
66.04719	0.6
67.05503	15.4
68.05851	0.5
69.07068	3.4
69.29445	0.6
69.29851	1.8
75.60187	0.3
77.03922	0.7
78.03490	0.5
79.05489	17.3
80.05022	2.2
80.05811	0.7
81.03430	1.8
81.07054	100.0
82.07396	4.8
83.08640	0.5
91.05485	0.6
93.07054	2.7
94.04197	0.6
94.07846	0.9
95.04974	1.7
95.06096	0.4
95.08604	17.1
96.04485	2.8
96.08125	0.4
96.08897	0.5
101.00883	3.0
105.03386	0.4
105.07025	1.0
106.07336	0.5
108.05730	1.1
108.07703	0.6
108.09372	0.9
109.91589	0.5
112.03965	3.2
119.01913	12.2
121.10130	2.2
123.04457	3.9
123.05497	2.6
123.08076	3.8
123.09163	1.1
123.11703	23.7
124.03941	7.8
124.04790	0.5
124.07615	0.7
124.12038	1.5
137.02943	4.4
140.03401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03941	1.8
55.05516	4.9
57.07076	5.6
60.79904	0.4
63.54638	0.4
65.03937	0.8
66.00187	0.4
67.05506	14.0
68.05003	0.5
69.07066	3.4
71.22556	0.4
79.05496	14.4
80.05038	0.8
80.05840	0.7
81.07059	100.0
82.07391	4.5
93.07047	2.2
95.04969	1.0
95.08612	15.5
96.04517	0.8
101.00901	0.5
105.07026	0.6
106.97844	0.4
108.05769	0.7
108.09352	0.8
112.03986	0.7
119.01941	1.1
121.10155	1.4
123.05541	0.9
123.08080	3.1
123.09118	0.5
123.11713	20.7
124.03973	3.9
124.12039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02553	0.2
51.02359	0.2
53.03949	1.7
55.05511	4.8
57.07078	4.8
58.66678	0.2
65.03944	1.2
66.04729	0.4
67.05507	14.9
68.05841	0.3
69.07066	2.9
69.89898	0.5
69.90300	0.7
78.03484	0.5
79.05495	16.6
80.05016	1.7
80.05827	0.8
81.03439	0.3
81.07059	100.0
82.07389	3.8
91.05467	0.3
93.07063	2.0
94.07832	1.0
95.04965	1.2
95.06125	0.3
95.08607	13.3
96.04487	1.8
96.08944	0.6
98.80399	0.3
101.00893	1.1
105.04523	0.3
105.07040	0.4
108.05741	0.6
108.09322	0.7
112.03976	1.8
119.01927	4.4
120.68795	0.3
121.10137	1.2
123.04473	0.5
123.05554	1.7
123.08076	2.9
123.11711	20.6
124.03949	6.4
124.07600	0.7
124.12031	1.3
137.02968	1.3
140.03419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05509	4.9
56.87831	0.5
57.07077	4.0
58.66808	0.4
62.16164	0.5
64.84964	0.6
65.03957	1.0
67.05506	14.1
68.05056	0.5
68.05828	0.5
69.07060	2.8
70.14974	1.6
79.05495	15.9
80.05022	2.8
80.05856	0.5
81.07057	100.0
82.07394	3.6
83.46269	0.5
91.05524	0.5
93.07059	2.4
94.07878	1.0
95.04997	0.9
95.08044	1.0
95.08611	12.5
96.04512	2.3
96.08939	1.1
101.00874	1.2
102.91769	0.4
105.07048	0.6
108.05753	0.7
108.09418	1.0
112.03975	2.4
119.01904	3.9
121.10163	1.1
123.04459	0.8
123.05563	2.3
123.08071	3.7
123.09179	0.6
123.11711	16.3
124.03955	9.5
124.12044	0.9
137.02975	1.6
140.03450	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58277	0.1
65.60555	0.1
67.56933	0.1
71.08093	0.3
82.01462	0.2
82.99839	3.5
83.99899	0.2
99.55418	0.1
100.02491	0.6
101.00881	35.4
101.75066	0.1
102.00944	2.5
102.02203	0.3
111.00423	0.3
118.03506	0.3
119.01920	100.0
120.02003	7.5
120.03251	0.3
121.02354	0.5
124.02427	0.5
137.02954	26.1
138.03041	2.2
142.03499	4.2
143.03679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
56.96569	0.3
58.99867	0.8
68.05019	0.3
69.03442	0.1
69.08742	1.1
70.99852	1.4
77.00904	0.7
78.03452	2.3
80.05016	9.9
81.05360	0.5
82.01443	0.4
82.99841	2.9
83.01508	0.2
83.99953	0.2
89.00893	0.6
96.04497	6.3
96.65926	0.2
97.02879	0.3
97.04809	0.2
100.02499	0.8
101.00880	32.3
101.02596	0.6
102.00954	2.4
102.02237	0.6
110.04825	0.3
111.00443	0.2
112.03941	0.8
118.03522	0.6
119.01920	100.0
120.01994	7.4
120.03296	0.2
121.02358	0.4
124.03951	43.3
125.04310	1.6
125.07176	0.4
133.03477	0.3
134.28413	0.2
137.02956	28.3
138.03049	2.4
139.03415	0.2
140.03430	0.9
142.03500	4.8
143.03606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
67.14436	0.1
68.05018	0.1
69.53488	0.1
70.89651	0.2
74.93757	0.1
75.41123	0.2
80.05010	0.3
82.01428	0.4
82.99841	2.6
83.99911	0.1
96.04493	0.3
97.02944	0.2
100.02473	0.5
101.00887	32.3
102.00953	2.6
102.02183	0.1
111.00446	0.2
112.03930	0.2
118.03518	0.3
119.01927	100.0
120.02011	8.0
120.03177	0.2
121.02356	0.6
124.02483	0.5
124.03944	1.2
137.02963	24.6
138.03056	2.2
139.03377	0.2
142.03496	3.7
143.03720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03946	0.9
59.19050	0.2
64.91711	0.2
65.51442	0.2
68.05027	0.6
69.79842	0.2
70.00726	0.7
70.14471	0.2
70.99861	0.4
78.03028	0.3
78.03460	5.1
80.05017	21.7
81.05368	1.0
96.04494	13.9
101.00875	3.6
106.02917	0.2
110.04789	0.5
119.01920	8.8
120.02029	0.7
123.92654	0.2
124.03954	100.0
125.04304	3.8
125.07118	0.3
137.02925	1.4
140.03412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0759
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
53.03936	3.1
55.01871	1.1
55.05503	3.4
56.05036	0.6
57.03428	0.5
65.03945	1.2
67.04237	0.4
67.05505	1.1
68.05026	4.6
68.05826	0.4
68.99788	0.6
69.03433	2.0
69.07072	1.3
71.01363	0.6
78.03458	1.7
78.04257	0.5
79.01839	0.5
79.05491	25.9
80.05016	16.9
80.05825	1.3
81.03388	0.4
81.05796	30.8
81.07052	8.1
82.06131	0.8
82.06577	2.1
82.07362	1.8
82.99836	1.0
83.04972	0.9
83.25515	0.4
84.04489	0.4
91.05454	0.4
94.02902	1.1
94.06562	3.6
95.04968	3.1
95.06100	0.4
96.04492	15.9
96.08128	33.7
97.02895	3.7
97.03985	0.5
97.04803	1.0
97.06523	1.6
97.08469	1.4
100.02471	0.8
101.00877	15.4
102.00967	1.2
105.04526	0.8
106.06554	12.5
107.04955	1.3
107.06059	1.2
107.06775	0.5
107.08599	0.6
109.05269	1.0
112.03964	19.8
113.04298	0.9
119.01917	100.0
120.02004	9.1
124.03952	49.1
124.04670	2.0
124.07587	42.8
124.12097	0.6
125.02373	0.4
125.04263	2.5
125.06007	1.4
125.07100	3.3
125.07945	2.0
125.09628	1.1
125.10773	0.4
135.65131	0.4
137.02950	58.9
138.03052	5.0
140.03424	8.1
141.03737	0.7
142.03502	5.4
143.03612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
55.01876	12.8
55.05516	56.2
57.03443	4.1
65.03944	3.7
67.05500	5.0
69.03428	31.2
69.07076	12.5
70.06614	3.0
70.76742	6.1
78.91539	2.5
79.05497	36.7
80.00430	2.7
80.05033	9.3
81.03406	4.2
81.07065	31.7
82.07391	2.8
83.04982	100.0
83.05457	6.1
83.08621	4.8
84.96009	4.1
91.05479	33.4
95.04945	4.1
95.08616	3.3
97.02916	3.6
97.06535	10.0
98.22639	3.1
105.07041	13.6
105.61732	2.9
107.08598	75.2
107.09283	5.0
108.04482	26.0
109.06526	6.0
119.06080	7.0
120.02031	11.9
121.01690	8.0
125.04326	5.5
125.06091	3.9
125.07139	11.0
125.09639	91.4
125.10551	6.4
126.05524	38.0
126.09975	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03952	9.3
55.01881	17.3
55.05516	100.0
56.05846	2.2
57.03440	3.6
67.05508	12.7
69.03436	11.3
69.07071	20.4
69.59251	3.2
69.59644	5.1
70.06598	4.0
79.05502	44.8
80.05044	8.9
81.07065	54.3
82.96250	1.9
83.04993	23.0
83.08617	6.6
84.96033	3.5
91.05479	10.0
93.50303	1.8
95.04954	2.2
95.08617	3.2
97.02923	3.0
97.06522	3.0
97.10185	17.3
98.06062	2.5
102.00909	2.2
103.00662	2.3
105.07010	3.0
107.06104	3.0
107.08610	17.1
108.04478	31.9
108.05147	3.0
109.06533	1.9
119.01987	1.8
120.02010	13.8
121.01691	10.0
125.04338	3.4
125.06091	4.0
125.07132	10.5
125.09633	42.5
126.05524	50.3
126.06465	2.9
126.09967	2.7
138.03070	7.4
139.02734	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03941	10.5
55.01879	16.8
55.05514	55.1
57.03439	7.2
65.03943	5.0
67.05502	7.9
68.99792	12.7
69.03431	45.7
69.07067	9.6
70.75546	2.7
71.30567	2.7
79.05064	3.9
79.05495	51.6
80.05045	5.7
81.07061	36.3
81.57126	2.5
83.04984	100.0
83.08621	8.6
91.05480	36.6
95.04980	5.3
95.08604	4.2
97.02883	8.3
97.06569	17.3
105.07023	13.7
107.08594	72.5
108.04485	29.9
109.06493	9.4
117.12625	3.0
117.62695	2.9
119.06065	4.5
120.02064	6.0
125.00568	8.4
125.04299	4.4
125.05973	9.6
125.07090	6.6
125.09632	87.8
126.05520	30.4
126.09142	4.1
126.09967	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03941	6.9
55.01867	10.9
55.05516	51.9
57.03426	7.0
57.07055	4.1
59.57558	3.5
65.03944	9.3
67.05511	5.5
69.03436	35.4
69.07063	11.9
69.11774	2.7
70.06570	4.6
71.04998	2.8
71.30850	3.9
72.30011	2.6
76.54684	2.9
77.04998	2.7
79.05495	40.3
80.05022	9.6
81.03415	6.2
81.05357	4.1
81.07060	32.9
83.04987	100.0
83.08620	9.5
91.05482	34.4
96.06856	5.4
97.02901	6.4
97.04807	4.0
97.06527	13.9
98.06069	4.9
105.07052	15.8
107.06085	3.9
107.08595	91.8
107.09284	6.3
108.04485	44.8
108.08947	4.3
109.06528	8.2
120.02030	11.0
121.01641	7.2
125.04290	10.2
125.06001	6.1
125.07118	12.3
125.09641	87.2
126.05526	54.1
126.06456	3.8
126.09966	6.2
128.93564	3.4
138.03033	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	127.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08179	1.4
53.00301	3.7
53.03949	34.0
55.01873	19.9
57.03431	3.1
67.01861	1.5
68.05034	1.1
69.03432	90.5
69.06174	3.3
69.06572	7.1
70.03766	3.5
71.01360	1.5
71.05002	7.6
81.03420	88.3
82.03753	3.1
82.06566	2.8
83.01356	4.2
85.02908	4.4
86.06086	1.4
87.08584	1.2
95.01317	1.8
97.02897	7.3
98.03653	2.4
99.04455	13.0
109.02882	100.0
110.02431	1.8
110.03214	5.4
119.01928	1.6
127.03905	24.8
128.04251	1.6
128.07066	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02367	1.7
53.00307	3.5
53.03714	1.9
53.03951	34.4
54.04283	1.5
55.01873	16.7
55.05507	2.5
56.10475	1.1
56.96562	4.9
57.03421	2.8
60.67883	1.3
65.03936	1.2
67.04233	1.1
69.03432	95.5
70.03766	3.2
70.81266	2.9
71.01361	2.4
71.04985	8.7
77.23319	1.0
79.39898	1.0
80.04994	1.3
81.03419	92.3
81.07056	2.5
82.02937	1.9
82.03757	4.4
82.06585	11.5
83.01337	4.2
83.04976	1.5
83.06100	1.4
84.04509	3.2
84.08133	3.2
85.02899	4.5
86.00951	2.0
86.06065	3.9
97.02893	9.9
98.03675	1.4
99.04467	10.8
100.07587	2.7
101.00869	3.0
103.00605	2.0
104.00950	1.8
104.01980	5.2
109.02882	100.0
109.04039	3.1
109.04826	4.5
110.02402	5.7
110.03202	4.2
110.05995	3.0
119.01934	16.2
121.01675	16.4
121.99429	1.7
122.02022	9.0
122.02932	2.6
123.02065	2.8
127.03918	55.3
127.05002	10.1
127.05871	3.0
127.07065	1.2
128.03436	1.5
128.04292	2.8
128.06235	1.6
128.07083	7.5
128.08012	1.5
133.94576	1.4
137.02934	7.2
139.02667	6.0
140.00400	1.1
140.03047	5.4
144.98083	1.6
146.03073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
51.02380	2.4
53.00308	4.6
53.03949	40.6
55.01876	12.0
57.03440	5.1
63.51643	1.0
65.03955	1.8
69.03431	86.2
69.29037	4.5
69.29453	2.9
70.03771	3.3
71.04991	8.1
71.45294	1.0
81.03419	88.1
82.03769	2.0
82.06593	4.4
83.01357	4.9
84.20810	1.3
85.02918	3.3
86.06074	1.8
94.35488	1.0
97.02898	8.0
98.03704	2.0
98.22660	2.2
99.04467	11.2
99.23863	1.2
100.07598	1.9
109.02881	100.0
110.03238	3.4
121.01740	1.4
127.03924	23.1
128.04216	1.3
128.07088	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0755
Annotation	1-Cyclohexenecarboxylic acid
Peak:m/z	Relative Intensity
51.02393	0.6
53.03949	9.4
55.01876	4.6
55.05512	5.7
56.05043	1.0
57.03441	4.3
59.04996	1.8
63.24606	0.5
65.03944	2.0
66.04721	0.9
67.04240	1.1
67.05490	2.4
68.05014	0.7
69.03431	13.5
70.06596	0.8
71.01354	0.5
71.04984	4.3
71.31303	0.5
71.31701	0.5
79.05495	41.1
80.05030	1.1
80.05823	1.9
81.03420	17.5
81.07058	100.0
82.03773	0.8
82.06583	10.4
82.07372	3.9
83.01346	0.6
83.04996	2.5
84.04514	1.0
84.08148	0.7
84.56982	0.5
85.02906	2.5
85.06544	9.4
86.02387	0.4
86.06068	2.1
95.04976	0.6
97.02887	2.6
99.04432	2.1
99.08079	1.0
100.07623	2.8
105.04527	0.5
109.02883	13.6
109.04092	0.7
109.04842	2.1
109.06516	35.5
110.02423	1.4
110.03149	0.5
110.06036	2.3
110.06853	2.4
112.01524	0.5
127.03925	23.4
127.05003	2.5
127.05921	3.0
127.07552	9.4
128.03464	0.8
128.04332	0.8
128.06212	12.2
128.07095	6.7
128.07971	0.5
139.02676	0.5
145.26425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.43903	10.5
55.05510	29.2
57.03448	15.7
64.92327	10.3
67.05500	84.9
69.03439	11.5
69.07072	89.8
70.06603	16.8
71.04998	24.0
81.07044	22.9
82.06600	34.3
83.08617	26.7
86.06078	18.8
100.07626	20.5
109.02901	20.4
109.10161	100.0
127.03973	16.2
127.05022	15.8
127.05870	17.9
128.06232	47.8
128.07104	17.9
128.08200	16.1
128.14308	15.1
142.65987	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	128.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
55.93534	0.7
56.05041	0.7
56.96561	0.7
57.03444	0.5
58.06594	0.3
58.99868	0.4
60.04531	0.3
67.04241	0.6
67.99890	4.7
68.05037	0.4
69.03417	0.3
70.06615	0.4
72.08138	0.4
73.39497	0.3
80.05016	0.4
81.03445	0.3
82.03750	0.4
82.06585	4.9
82.99849	1.1
83.04972	0.5
83.08592	0.3
84.08157	0.4
86.00932	15.1
86.06055	0.8
86.09703	0.3
87.01017	0.9
87.44193	0.3
93.03398	0.3
100.02483	1.6
100.07640	1.7
101.00880	16.0
102.00971	1.3
103.02458	1.0
104.01973	36.3
105.00362	0.6
105.00999	1.5
105.02055	2.7
110.03233	0.7
110.06042	1.2
111.02760	0.3
111.04453	1.1
118.03526	3.6
119.01923	100.0
120.02002	7.0
121.01651	0.5
121.03484	0.4
122.03007	26.7
123.02109	9.9
123.03070	1.8
124.02419	0.3
127.03535	0.7
128.01953	0.8
128.03436	0.6
128.04294	0.5
128.06209	0.6
128.07077	4.8
128.10745	0.7
129.05501	0.4
130.40904	0.3
136.04567	2.7
137.02957	48.9
138.03064	3.3
140.03082	0.8
141.00529	0.4
141.03120	6.5
142.03482	2.0
145.04613	0.6
146.02953	6.5
147.03105	0.9
147.05057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.2
51.02369	0.2
51.38593	0.2
53.03949	0.2
55.05507	0.6
55.65799	0.2
55.93526	0.3
56.05038	0.3
57.03424	0.2
58.06591	0.3
64.46535	0.2
65.03934	0.3
66.30643	0.2
67.05499	0.2
69.03426	0.3
69.07079	0.3
71.31229	0.3
72.08160	0.3
78.04706	1.5
81.07446	0.2
82.03797	0.2
82.06577	2.5
83.04970	0.4
83.08622	0.3
84.04475	0.4
84.08150	0.5
84.87791	0.2
86.06047	0.7
100.07602	0.9
100.75064	0.2
102.04681	2.7
103.05474	1.3
110.03213	0.2
110.06034	0.5
111.04481	0.3
112.11202	0.5
112.40179	0.2
127.05444	1.1
128.06221	100.0
128.95093	0.4
129.07079	14.3
145.06499	2.2
145.32043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
55.01870	0.1
55.05506	0.8
57.07071	0.1
67.05511	0.3
68.01398	0.2
69.03426	0.5
69.07069	0.2
69.78023	0.2
69.78429	0.6
72.04524	0.8
78.04706	1.5
81.03397	0.2
82.06591	1.2
83.04951	0.1
83.08619	0.4
84.04527	0.1
84.08159	0.7
86.06063	0.2
86.09708	0.2
91.05498	0.1
93.07095	0.2
98.33712	0.1
100.03992	0.2
100.07613	0.4
102.04684	3.1
103.05489	0.8
110.03251	0.1
110.06055	0.2
111.08099	0.2
112.11239	0.4
127.05473	1.3
128.06224	100.0
129.07079	13.0
145.06482	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0548
Annotation	(4E)-2-Oxohexenoic acid
Peak:m/z	Relative Intensity
53.03938	2.6
55.01876	4.3
55.05274	2.8
55.05516	40.9
57.03436	7.2
57.07075	4.6
58.07696	2.3
59.05006	6.0
59.70515	2.4
60.04511	2.5
63.93648	2.3
65.03945	5.3
67.05502	26.6
68.97864	2.3
68.99781	4.4
69.03437	20.9
69.07078	5.6
70.06587	4.5
71.01347	16.8
71.04979	9.4
71.31433	3.8
73.02919	4.1
74.09723	3.1
83.04986	100.0
83.06071	3.0
84.04511	13.5
84.05305	4.6
84.08141	23.4
85.02903	12.4
86.09721	5.7
87.04472	22.9
93.03400	3.7
94.98440	2.2
103.05460	4.6
111.04449	44.9
111.94331	2.5
112.07603	28.2
115.05478	3.0
128.06221	20.9
129.05495	13.1
129.07042	16.4
130.06535	64.3
130.07477	5.0
130.08646	7.8
130.15919	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	129.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.4
51.02375	0.6
56.05003	0.5
57.57923	0.5
65.96132	0.4
69.03437	1.1
70.06575	0.5
70.97741	0.8
71.04996	0.5
71.60602	0.4
77.03925	0.5
84.04500	1.4
84.08143	2.9
98.45493	0.4
102.04684	0.7
103.05482	5.8
112.07613	3.0
112.11251	0.4
115.05426	2.2
115.28953	0.5
120.57137	0.4
127.05427	3.8
128.06227	100.0
129.07065	80.2
130.06519	5.9
130.07375	5.3
130.08606	0.6
145.06491	10.4
146.06921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.07
Annotation	Naphthalene
Peak:m/z	Relative Intensity
50.01606	0.3
51.02404	0.5
66.96527	0.3
69.30408	2.8
78.25606	0.4
98.23322	0.6
100.94015	0.4
102.04670	0.5
102.05315	0.4
103.05490	5.2
115.05463	2.1
127.05453	4.3
127.81065	0.4
128.06230	100.0
129.07062	84.6
130.01546	0.4
130.07321	5.7
132.43350	0.4
145.06497	9.9
146.06848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
55.93531	0.7
56.05015	0.6
57.07063	2.7
60.04506	0.7
69.03439	3.9
69.07060	2.1
70.06591	0.9
71.04975	0.8
71.30234	0.9
73.56100	0.5
74.09709	2.1
75.36138	0.6
83.04981	0.8
83.06113	0.8
84.04517	2.7
84.08143	7.2
86.09709	2.8
102.44830	0.7
103.04996	0.6
103.05488	6.3
104.84448	0.7
112.07607	11.1
115.05482	1.2
121.97563	0.6
127.05425	3.4
128.06227	100.0
129.07050	71.4
129.10202	0.9
130.06523	25.3
130.07382	4.8
130.08649	2.8
130.15918	3.6
132.78792	0.6
142.91563	0.7
145.06473	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	129.0701
Annotation	Naphthalene
Peak:m/z	Relative Intensity
51.02379	0.5
53.03933	0.2
54.02870	0.2
56.05044	0.3
57.07059	0.9
69.03420	1.0
69.07060	0.7
69.59743	0.8
69.60145	0.5
70.06596	0.5
74.09707	0.3
82.06586	0.2
83.06104	0.2
84.04507	0.7
84.08149	2.2
86.09707	0.3
102.04656	0.4
103.05475	6.0
112.07610	3.1
115.05465	1.2
125.73692	0.2
126.04593	0.5
127.05443	3.6
128.06226	100.0
129.07037	75.9
130.06512	6.5
130.07365	4.9
130.08640	0.6
130.15918	0.7
131.04945	0.3
133.66667	0.3
141.03912	0.3
145.06488	8.8
146.06831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.03937	3.7
57.07079	79.1
58.07404	2.9
58.30623	1.1
59.05256	1.3
59.56100	1.1
68.92262	1.3
69.03433	3.4
70.46493	2.5
70.46847	1.8
74.09723	51.8
81.36200	1.2
82.09340	1.1
83.18545	1.3
84.04532	6.3
84.08160	6.4
91.05498	2.2
95.04970	4.5
98.23276	1.4
103.05476	100.0
105.04506	1.9
112.07594	5.4
116.06230	1.7
130.06526	10.3
130.08681	2.0
130.15927	79.1
131.04939	9.8
131.08546	1.3
131.16258	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.3
51.02382	1.0
51.96607	0.2
53.03949	5.8
57.03444	0.4
57.07076	0.6
58.07409	0.5
60.05640	0.5
65.03946	0.3
71.04987	0.3
71.30910	0.3
72.08148	1.4
75.10065	0.5
77.03918	1.7
81.03436	0.6
86.09712	0.7
91.05486	17.5
92.05809	0.8
95.04972	6.8
102.04678	1.3
103.05472	100.0
104.04997	2.2
104.05807	5.2
105.04519	3.0
113.09679	0.3
115.05461	1.4
116.06250	4.2
129.07022	2.0
131.04933	12.6
131.06963	0.7
131.08566	10.9
131.16260	0.9
132.04459	2.4
132.05336	0.4
132.08075	0.8
132.08936	0.7
149.24878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.2
51.02372	0.4
53.03949	4.4
55.01863	0.2
58.13202	0.2
69.15305	0.5
69.15733	0.8
77.03938	1.3
81.03414	0.5
81.12568	0.2
86.09679	0.2
88.71690	0.2
91.05482	3.4
92.05853	0.3
95.04966	4.5
96.16119	0.1
102.04687	1.2
103.05469	100.0
104.05796	5.5
105.04505	2.0
115.05497	0.3
116.06239	1.0
129.06975	0.4
131.04927	11.2
131.08553	2.5
132.05284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03949	4.0
55.01864	0.3
65.22695	0.2
69.55143	0.5
69.55555	0.7
72.81194	0.2
77.03930	1.3
81.03417	0.4
91.05486	5.3
92.05804	0.3
95.04969	4.5
102.04697	1.2
103.05468	100.0
104.05801	6.1
105.04509	2.3
115.05455	0.5
116.06239	1.4
120.77094	0.2
129.07011	0.6
131.04932	9.4
131.05928	0.5
131.06924	0.4
131.08562	3.3
132.05165	0.4
132.08041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
51.02383	0.7
53.03947	4.5
54.04288	0.2
55.01865	0.3
60.05648	0.2
61.08964	0.1
64.21536	0.1
66.77615	0.1
70.08244	0.1
70.76965	0.4
72.08163	0.8
72.93783	0.2
73.02539	0.1
77.03922	0.8
81.03426	0.4
86.09708	0.2
91.05479	7.4
92.05837	0.3
95.04967	5.4
95.08604	0.2
102.04691	1.2
103.05466	100.0
104.05099	0.3
104.05789	6.0
105.04512	1.9
113.07971	0.3
115.05437	0.7
116.06237	1.9
117.05775	0.5
129.06996	0.8
131.04927	9.4
131.06956	0.3
131.08560	4.8
132.05269	0.3
132.08081	0.6
132.08975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.4
51.02395	0.5
53.03949	4.2
72.93749	0.2
77.03931	1.3
81.03429	0.4
86.94202	0.2
91.05475	1.1
95.04974	4.4
95.05558	0.3
101.78241	0.2
102.04707	1.2
103.05471	100.0
104.05795	5.2
105.04510	2.1
116.06248	0.3
127.64362	0.2
131.04929	9.8
131.08549	0.7
132.05290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.2
50.15896	0.1
51.02389	0.5
53.03952	2.8
55.01881	0.3
56.96571	1.7
57.03426	0.4
60.04525	0.4
60.05656	0.9
68.05054	0.2
69.03436	0.6
69.07064	0.3
70.03761	0.8
71.04990	0.2
71.93009	0.4
72.08160	3.3
72.93787	0.9
73.02925	0.3
77.03921	0.6
81.03416	0.3
84.04525	0.3
84.08140	0.2
85.02901	0.3
85.04826	0.8
85.07981	0.1
85.08456	0.8
86.06081	0.3
86.09710	4.7
90.90411	0.4
90.94824	0.3
91.05500	0.4
92.96584	0.1
95.04362	0.2
95.04972	3.7
95.05548	0.2
96.05291	0.2
97.07613	0.2
98.97607	0.8
102.04689	1.0
103.05475	100.0
104.05087	0.2
104.05804	5.2
105.04504	1.4
113.07234	0.3
113.07945	1.9
114.10256	0.7
116.98638	0.4
117.34220	0.2
119.01817	0.2
125.96172	0.2
128.02335	0.2
128.98611	0.2
129.06947	0.2
131.04903	1.1
131.05977	0.3
131.06876	0.4
131.09048	0.3
132.04391	0.2
132.05247	0.2
132.06612	0.2
132.08089	0.3
134.99617	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69520	0.4
53.03947	0.9
62.60888	0.4
62.89414	0.4
65.03949	1.1
70.85358	0.9
72.08131	0.5
84.14333	0.4
86.09665	0.5
91.05484	100.0
92.05814	4.4
103.05466	3.3
105.07024	1.0
115.05468	7.6
116.06247	22.5
117.05788	0.8
117.06596	1.2
128.06230	2.0
129.07013	14.9
130.07332	1.2
131.06931	1.8
131.08571	71.8
132.08057	1.7
132.08910	4.9
133.06493	0.8
143.06029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
58.56374	0.6
61.53226	0.8
65.03958	2.4
67.27784	0.7
71.30789	0.9
72.08161	0.9
73.16430	0.6
74.46248	0.7
74.50884	0.7
74.58931	0.6
91.05487	100.0
92.05820	5.4
95.04979	1.3
103.05482	15.7
104.05861	1.0
105.04482	0.8
105.07083	0.9
115.05464	9.9
116.06261	22.9
117.06564	1.5
128.06223	2.5
129.07013	12.9
131.04944	9.8
131.08574	60.9
132.08922	4.3
133.06474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03947	1.4
54.16109	0.5
55.01870	1.0
55.05503	2.1
62.78733	0.6
65.03941	15.1
67.05504	3.5
70.61697	1.2
78.06913	0.7
79.05496	6.7
91.05479	100.0
92.05817	6.7
93.07045	4.1
95.04965	1.8
103.05470	3.6
104.05759	1.5
105.07027	54.5
107.08553	0.8
109.06514	16.4
110.06839	1.2
115.05464	4.8
116.06237	0.8
117.07056	5.9
118.07793	5.4
119.06065	12.2
128.30785	0.6
131.08566	8.6
132.08080	24.9
132.08910	1.7
133.06505	5.4
133.07474	1.2
133.08441	2.3
133.10126	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01868	0.9
55.05523	2.8
65.03945	15.1
67.05515	3.5
70.61623	1.5
71.10950	0.5
79.05502	7.4
91.05486	100.0
92.05810	5.6
93.07050	3.9
95.04974	1.9
103.05474	4.3
104.05789	2.0
105.07037	56.8
107.08611	1.5
109.06528	14.5
110.06894	0.7
115.05452	4.9
116.06254	1.0
117.05791	0.7
117.07065	4.8
118.07812	4.8
119.06071	10.4
120.06455	0.6
129.07025	0.7
131.08574	10.0
132.08095	23.5
132.08934	1.6
133.06508	5.0
133.10132	38.7
148.28833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03942	2.2
56.90183	0.7
57.03424	1.5
58.02947	0.7
60.04512	2.3
60.77924	0.8
69.07058	3.7
72.79680	0.7
72.93787	12.3
73.06548	2.1
77.03905	0.7
79.05499	3.6
86.00661	1.5
86.09703	11.1
86.67108	0.8
87.02728	0.8
87.10011	0.9
90.90382	11.1
90.94830	7.0
91.05476	8.1
93.05783	1.4
93.07015	0.9
95.04971	2.3
96.85985	0.7
101.11428	0.9
103.05456	3.8
104.04990	5.8
104.05804	3.7
105.03410	1.3
105.07026	25.7
106.06524	1.3
108.91426	1.9
108.95882	2.1
110.06045	0.8
115.05457	24.1
116.05788	1.1
117.05762	68.0
118.06110	4.4
130.06534	9.0
131.07352	7.7
132.04466	8.7
132.08090	100.0
133.02867	1.0
133.06497	4.9
133.07596	6.3
133.08496	5.1
133.10130	5.2
143.06058	1.2
149.94080	1.7
150.96930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
54.78342	0.6
61.00815	0.7
61.38917	0.6
64.36337	0.6
69.07071	6.5
69.85332	0.6
69.88421	2.5
69.88754	0.5
81.47128	0.7
84.43559	0.6
86.09711	100.0
87.10030	3.2
89.67381	0.6
92.01283	0.6
151.05949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
53.03951	3.3
55.01885	3.5
55.05519	1.8
56.98441	0.6
57.03425	0.9
57.84883	0.5
63.70314	0.5
65.03913	0.6
66.04738	0.9
67.05492	0.7
67.50608	0.5
69.17927	5.2
69.45252	0.5
77.03928	1.6
79.05496	15.7
80.05850	0.6
89.03864	1.1
89.50513	0.6
90.04689	1.2
91.05485	17.2
92.05788	0.6
93.07055	1.4
95.04957	3.1
103.05473	9.9
105.03429	1.4
105.04535	1.6
105.07034	100.0
106.07356	5.1
107.04945	0.8
115.05458	5.3
116.06230	0.7
117.07035	2.0
118.04176	4.1
118.07816	2.2
131.08556	4.1
133.02858	1.7
133.06494	35.1
133.10130	18.7
134.05989	0.9
134.06920	1.2
134.10483	1.3
153.57768	0.6
154.09798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03959	2.9
55.01868	5.0
56.92344	1.1
59.33211	1.1
66.04716	1.8
67.42574	1.3
69.62569	5.4
79.05495	21.2
88.88530	1.2
90.04723	2.7
91.05487	9.4
95.04988	2.6
98.22527	1.2
99.96836	1.2
103.05478	16.4
105.04549	2.4
105.07041	100.0
106.06583	4.6
106.07390	5.6
107.04948	1.5
115.05482	5.6
118.04182	12.2
118.05367	1.2
122.36910	1.2
131.04962	2.1
131.08549	1.6
132.90570	1.3
133.02824	1.4
133.06519	71.6
133.07619	11.7
133.10107	6.5
134.06039	6.4
134.06952	4.2
134.09671	3.4
145.60645	1.3
147.71182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.6
53.03954	3.6
55.01884	2.2
55.05275	0.5
55.05514	7.5
60.23427	0.5
65.03928	0.8
66.04723	1.3
67.05476	0.8
69.27640	3.0
73.06541	0.6
77.03923	1.6
78.04724	0.5
79.05495	16.0
83.02523	0.4
89.03940	0.7
90.04699	2.1
91.05482	24.1
92.05800	1.3
93.07037	4.0
95.04960	3.3
97.10181	0.9
103.04789	0.5
103.05475	11.8
105.03403	1.1
105.04534	1.7
105.07030	100.0
106.06612	0.8
106.07355	5.2
107.04958	1.0
107.08578	1.3
115.05457	7.7
116.06197	1.4
117.07015	5.7
118.04160	6.4
118.07816	4.6
131.04938	1.3
131.08574	6.9
132.08917	0.9
133.02831	1.4
133.04858	1.3
133.06497	39.4
133.07489	1.6
133.10130	41.9
134.05986	1.0
134.06862	2.7
134.10492	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02379	0.8
52.17667	0.4
53.03942	2.3
55.01870	2.3
55.05510	4.4
65.03918	0.8
66.04707	1.1
67.05483	0.6
71.04610	0.8
73.06551	0.9
77.03914	1.1
79.05493	16.4
89.03919	0.6
90.04701	2.2
91.05479	21.7
92.05787	1.3
93.07043	4.0
95.04967	3.0
102.69700	0.4
103.05473	11.7
105.04527	1.3
105.07027	100.0
106.06623	0.6
106.07359	3.9
107.04944	0.9
107.08604	0.8
115.05450	7.8
116.06258	0.8
117.07016	5.7
118.04150	5.8
118.07819	4.9
129.06985	0.5
131.04939	0.7
131.07660	0.7
131.08563	6.4
132.08876	0.4
133.02805	1.2
133.06494	38.2
133.10121	43.0
134.06854	2.0
134.10469	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01564	0.4
51.02365	0.6
53.03948	2.8
55.01873	4.1
55.05507	1.4
63.75902	0.3
65.03934	0.7
66.04723	2.1
67.05505	0.4
75.83287	0.3
77.03919	1.2
79.05497	19.9
80.05818	0.6
81.03404	0.6
89.03906	1.2
90.04710	3.4
91.05486	10.5
92.02615	0.5
92.05830	0.8
93.07037	1.3
94.04169	0.4
95.04961	3.4
98.23447	0.8
103.05474	14.8
105.04593	1.9
105.07034	100.0
106.06622	0.5
106.07363	5.7
107.04962	1.5
115.05460	7.5
116.06212	0.3
117.05151	0.4
117.07041	2.4
118.04163	12.7
118.07795	1.9
119.04516	0.8
131.04935	1.4
131.08578	2.8
132.05727	0.5
133.06497	67.5
133.10132	16.1
134.05962	0.7
134.06831	4.3
134.10478	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03943	3.1
55.01865	2.5
55.05521	2.8
65.03953	0.6
66.04723	1.4
69.02214	4.0
69.02647	2.3
77.03904	1.5
79.05058	1.1
79.05499	13.2
82.60875	0.6
90.04696	2.1
91.05485	20.7
92.02631	0.7
92.05797	0.8
93.07060	3.4
95.04970	2.1
103.04758	1.0
103.05467	10.1
105.07034	100.0
106.07375	3.5
107.04923	0.9
107.08622	0.7
115.05462	7.3
116.06287	0.7
117.07046	4.7
118.04163	6.8
118.07816	5.1
129.07019	0.8
131.04962	0.6
131.08560	6.6
133.06500	42.9
133.10132	40.7
134.06851	2.0
134.10472	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02369	1.4
52.50699	0.7
53.03937	3.2
55.01876	3.9
55.05512	0.9
57.03438	0.7
65.03932	1.1
66.04713	3.2
71.31200	0.8
71.31644	1.0
77.03934	2.3
78.04700	0.8
79.05492	19.8
89.03919	1.3
90.04692	3.2
91.05478	9.8
92.02649	0.8
93.07048	1.3
93.67332	0.7
94.04166	0.8
94.69369	0.7
95.04978	4.4
103.05468	16.3
105.03400	1.5
105.04498	1.5
105.07032	100.0
106.06630	1.7
106.07372	6.1
107.04935	1.6
115.05460	6.3
117.07085	2.0
118.04151	13.8
118.07808	1.2
123.63258	0.7
131.04919	1.3
131.08611	2.6
132.90558	0.8
133.02856	2.0
133.06503	72.0
133.07568	7.5
133.10129	11.0
134.03676	1.5
134.05994	3.0
134.06903	4.7
134.09650	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01586	0.4
53.03947	3.3
55.01875	4.0
55.05513	2.6
58.66041	0.3
65.03928	0.8
67.05512	2.6
71.30569	0.4
77.03938	1.4
78.04713	0.4
79.05495	24.2
80.05832	1.2
81.03413	0.6
82.88439	0.4
91.05483	18.7
92.05813	1.1
93.07050	2.2
95.04977	3.7
103.04780	0.7
103.05471	15.2
104.63495	0.3
105.04586	1.8
105.07033	100.0
106.07362	4.2
107.04990	0.9
107.08573	0.5
115.05462	7.4
116.06285	0.8
117.07034	3.2
118.04188	0.8
118.07792	3.3
131.04927	0.9
131.08582	4.0
133.06497	40.2
133.10130	25.8
134.06740	1.7
134.10468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0861
Annotation	5-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
51.02381	2.1
51.35518	0.8
53.03938	4.7
55.01864	3.6
55.05511	9.0
55.24686	0.8
63.57080	0.9
65.03947	1.5
67.05499	1.7
69.07071	91.5
70.07404	2.5
71.15408	1.6
73.06558	66.5
73.76295	0.9
74.06880	2.1
77.03918	2.9
79.05496	16.1
82.61074	0.8
91.05483	26.4
92.05804	1.0
92.90458	2.0
93.07043	5.3
94.89627	1.1
95.04984	5.2
95.66319	0.8
97.06536	14.3
97.43081	0.8
103.05495	8.5
105.03387	5.1
105.04546	2.0
105.07030	100.0
106.06555	5.1
106.07373	4.7
115.05467	6.2
115.07566	12.7
116.05012	1.0
117.07012	4.6
118.04117	1.2
118.07860	4.2
131.04840	1.0
131.08557	6.0
133.02866	4.7
133.04829	3.4
133.06488	25.6
133.07602	10.9
133.10127	46.6
134.05998	8.1
134.06960	2.2
134.09639	2.4
134.10477	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03942	0.9
55.05516	1.8
65.03937	0.7
65.73193	0.5
66.07472	0.5
66.69585	0.5
66.92413	0.6
67.05508	0.9
70.47234	0.5
70.92670	1.0
74.93146	0.5
79.05499	5.3
87.28200	0.5
91.05485	15.6
92.05797	0.8
93.07035	1.3
95.04965	1.5
103.05466	2.8
105.07033	100.0
106.06633	1.0
106.07355	5.6
106.08535	0.5
115.05472	1.1
117.06991	0.7
118.07831	0.7
131.08578	4.2
133.06581	1.1
133.07611	4.7
133.10138	18.7
134.06026	1.9
134.07056	0.6
134.09634	1.3
134.10487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62741	0.6
51.02362	0.7
53.03947	3.2
55.01854	1.8
55.05495	2.5
55.30804	0.5
65.03942	1.4
66.04716	1.3
67.05476	1.0
71.31649	0.7
77.03916	1.7
79.05069	1.0
79.05497	15.2
88.02276	0.6
88.55141	0.6
89.03909	0.7
90.04683	1.4
91.05485	27.4
92.05806	2.1
93.07053	5.1
95.04953	3.5
96.33388	0.6
103.05473	10.1
105.03403	1.1
105.07034	100.0
105.96628	0.6
106.06576	1.8
106.07369	6.7
107.08593	1.7
115.05449	8.4
115.19412	0.6
116.06240	1.2
117.07024	6.2
118.04160	5.7
118.07838	6.0
131.04993	0.8
131.08583	7.9
132.06818	0.6
132.90562	0.9
133.02896	2.0
133.05449	0.8
133.05667	0.4
133.06512	27.0
133.07617	4.9
133.10130	47.1
134.06013	3.2
134.06941	1.7
134.07973	0.8
134.09627	1.3
134.10480	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.05516	3.5
57.18643	0.6
65.03943	1.2
67.05518	1.0
69.20190	1.5
69.20599	3.0
77.03898	0.6
79.05501	10.5
91.05485	32.6
92.05824	1.4
93.07037	7.0
95.04967	1.1
103.05475	6.1
103.14954	0.6
105.07036	100.0
106.07365	5.3
107.08607	1.8
115.05463	8.3
116.06227	2.2
117.07023	8.5
118.07818	9.7
127.94477	0.6
129.07027	1.1
131.08566	12.8
131.27316	0.7
132.08919	0.9
133.06503	4.2
133.10138	63.7
134.05940	0.9
134.09616	0.9
134.10490	4.1
153.63501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03945	2.9
55.05497	3.7
65.03935	1.0
79.05493	11.1
82.40472	0.9
91.05482	36.2
92.05786	1.4
93.07051	8.5
95.04975	2.3
103.05476	5.1
104.06284	1.0
105.07038	77.0
106.06609	1.8
106.07375	5.3
107.08608	2.2
115.05453	10.9
116.06268	1.6
117.07021	15.1
118.07816	11.9
119.08121	0.8
131.08559	12.7
133.07603	3.9
133.10135	100.0
134.06133	2.1
134.07118	2.2
134.10469	7.5
147.69978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01870	0.9
55.05518	2.7
65.03925	1.0
65.21848	0.4
67.05506	1.2
77.03938	1.3
78.04686	0.4
79.05060	0.8
79.05495	11.4
80.05830	0.5
80.13263	0.4
91.05482	26.2
91.93982	0.4
92.05807	1.1
92.06300	0.5
93.07043	6.6
95.04960	2.8
98.22338	0.4
103.05471	7.0
104.06285	0.5
105.07030	74.8
106.07360	4.1
107.08587	1.5
115.05444	8.9
116.06226	1.5
117.07014	11.7
118.07816	10.3
129.06999	0.6
131.08571	8.1
133.06516	6.3
133.10129	100.0
134.06828	0.4
134.10452	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.17881	0.4
53.03943	2.2
55.05511	3.6
65.03944	1.5
67.05511	1.2
69.08576	4.2
75.02372	0.4
77.03922	0.9
77.34630	0.5
79.05495	12.0
90.04726	0.9
91.05482	31.8
92.05805	1.6
93.07046	6.3
95.04986	2.5
97.42271	0.4
103.05465	6.2
105.07030	100.0
106.07362	5.9
107.08609	1.2
115.05452	7.2
116.06228	1.6
117.07021	10.6
118.04146	0.9
118.07813	9.0
119.08092	0.7
129.07042	1.0
131.08562	10.4
132.08917	0.8
133.02917	0.7
133.06511	9.9
133.07593	1.7
133.10127	58.1
134.06895	0.6
134.10497	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02424	0.6
53.03938	3.0
55.01875	0.8
55.05519	5.0
61.36916	0.6
65.03945	1.1
67.05508	1.5
69.24078	4.3
69.71210	0.6
77.03940	1.4
78.30079	0.5
79.05495	13.1
79.05956	0.8
91.05485	41.7
92.05803	2.1
93.07047	9.0
95.04973	2.6
96.83230	0.6
98.23382	1.3
103.05468	6.9
105.07034	100.0
106.07343	4.7
107.08595	2.1
115.05450	11.9
116.06225	2.5
117.07027	11.1
118.07825	7.9
129.06984	1.1
131.08569	14.4
132.08911	1.0
133.06470	2.6
133.10133	96.9
134.10463	6.0
138.06964	0.6
148.51511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	2.3
55.05509	4.8
56.98465	0.5
65.03927	0.8
67.05515	0.9
69.64161	2.0
69.64564	0.9
72.14260	0.5
76.83608	0.5
77.03927	1.0
79.05079	0.4
79.05490	10.7
83.41396	0.5
91.05481	37.2
92.05801	1.0
93.07040	7.6
95.04972	2.3
101.31935	0.6
103.05466	6.5
105.07030	100.0
106.07362	5.8
107.08582	1.9
115.05455	9.8
116.06214	1.8
117.07018	10.5
118.07813	11.2
119.08114	0.6
129.07005	1.0
131.07692	1.0
131.08571	12.4
132.08916	0.9
133.06491	1.7
133.10129	85.1
134.10466	5.7
135.38968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02386	0.4
53.03949	1.9
55.01881	0.4
55.05510	2.7
65.03946	0.6
66.80218	0.3
67.05495	0.9
69.12981	0.4
69.13385	1.4
77.03928	0.7
78.19963	0.2
79.05496	11.0
79.05962	0.6
91.05485	29.1
92.05804	1.1
92.06281	0.6
93.07049	7.1
94.07398	0.5
95.04973	2.3
103.04797	0.3
103.05473	5.9
105.04510	1.1
105.07033	69.4
106.07368	3.7
107.08606	2.0
115.04662	0.5
115.05463	9.5
116.06333	1.4
117.07025	12.1
118.04159	0.4
118.07820	10.3
119.08147	0.5
129.06996	0.9
131.08571	9.9
132.08900	0.6
133.06532	3.2
133.10132	100.0
134.10461	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02384	0.5
51.57089	0.4
53.03944	2.3
55.01866	0.6
55.05510	3.9
65.03941	0.5
67.05510	1.5
69.21709	0.5
69.21925	1.0
69.22337	2.9
77.03937	1.0
79.05057	0.9
79.05493	11.9
91.05479	31.1
92.05811	1.6
93.07039	7.7
95.04973	2.1
103.05457	7.2
105.07030	100.0
106.07365	6.1
107.08599	1.2
115.05447	7.2
116.06270	1.0
117.07016	7.8
118.07817	8.8
119.08162	0.7
129.07019	1.2
131.08569	10.8
133.06520	6.6
133.10129	62.5
134.10458	4.4
142.06071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
52.72350	0.5
53.03947	1.3
55.05520	5.2
62.90690	0.6
65.03934	1.7
67.05511	9.4
69.95034	1.4
69.95385	0.8
79.05495	10.2
91.05485	100.0
92.05815	5.4
92.06296	0.8
93.07050	2.5
95.04972	1.7
98.66977	0.6
103.05467	4.0
104.06266	0.9
105.07036	79.5
106.07358	4.7
115.05463	1.9
116.06256	0.8
117.06998	2.0
118.07786	1.8
131.08594	5.5
133.06506	1.9
133.07570	1.1
133.10135	29.0
134.10466	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02385	0.6
52.63416	0.4
53.03959	0.8
55.05515	3.8
62.90560	0.5
64.39629	0.4
65.03945	2.5
67.05504	9.9
71.11378	0.8
79.05496	12.1
80.05822	0.5
83.05759	0.4
83.29259	0.4
91.05482	100.0
92.05814	5.6
92.06311	0.5
93.07047	1.8
94.54906	0.5
95.04983	0.7
103.05466	2.6
105.07031	72.2
106.06696	0.8
106.07362	4.2
115.05447	1.4
116.06239	0.7
117.07023	1.2
118.07849	0.9
131.08565	4.3
133.06479	1.3
133.07567	1.0
133.10127	21.2
134.05997	0.6
134.10481	1.7
146.55882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03950	7.7
63.02377	4.0
65.03951	1.4
69.22858	1.3
69.23264	3.7
77.03947	1.3
78.46210	0.7
79.05060	1.4
79.05496	20.3
80.05020	1.1
80.05824	0.9
81.03432	1.1
89.03923	100.0
90.04256	4.2
91.05489	5.6
93.05791	1.0
93.07044	1.4
94.04067	1.0
95.04967	6.1
105.04504	3.3
105.07034	2.0
107.04964	18.5
107.08607	2.0
108.08141	0.7
109.01093	5.4
115.05436	1.0
117.03389	32.8
117.07084	1.3
118.03707	1.6
119.03539	4.2
135.04427	56.7
135.08055	7.5
135.09138	2.3
136.02170	46.9
136.04820	2.9
136.06194	26.8
136.07558	3.7
137.04611	1.8
145.03964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	8.3
55.01879	3.5
55.05511	12.3
65.03957	6.3
65.04256	1.3
67.05498	4.8
69.03440	1.4
69.07066	3.7
77.03950	2.0
79.05495	31.4
80.05000	1.8
81.07063	5.3
91.05482	56.8
92.05813	3.6
93.03414	1.4
93.05801	1.9
93.07045	52.4
93.07629	2.9
94.07333	1.8
95.04984	7.7
103.05436	1.6
105.04539	2.5
105.07029	25.3
107.04964	6.9
107.08595	100.0
108.08242	2.0
108.08955	5.8
108.77779	1.4
109.01112	8.3
109.06517	5.4
115.05450	3.0
117.07027	2.5
119.03576	5.1
119.06074	6.6
119.08587	11.8
120.09383	2.8
133.10162	1.5
135.04478	1.9
135.05522	3.0
135.06554	1.6
135.07005	1.8
135.08067	16.5
135.09116	3.2
135.11694	17.6
136.02162	99.1
136.05125	2.5
136.06195	34.3
136.07559	5.7
137.04585	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03959	6.6
55.01870	2.3
55.05514	12.2
65.03947	3.2
67.05516	6.8
69.07070	4.1
69.51543	2.5
69.51946	2.2
77.03917	1.1
79.05494	28.0
80.05813	2.1
81.03414	1.2
81.07063	7.3
91.05482	48.8
92.05816	2.2
93.03384	0.9
93.07047	61.1
94.07369	2.6
94.07887	1.0
95.04974	5.4
103.05502	1.0
105.04519	3.2
105.07033	19.4
106.04227	0.9
107.04955	3.6
107.08598	100.0
108.08920	6.4
109.01073	2.3
109.06499	6.0
115.05479	1.7
117.07036	2.2
118.06511	0.8
119.06083	3.9
119.08604	6.4
120.09382	1.9
135.04448	1.3
135.08070	12.4
135.11685	15.3
136.02162	22.8
136.06187	8.4
136.07552	2.2
136.12050	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68581	1.2
53.03943	7.7
55.01873	2.8
55.05516	10.6
55.90849	0.9
61.72584	0.9
65.03934	5.8
67.05511	5.5
69.03465	1.1
69.07061	3.3
70.91747	1.7
77.03885	1.2
79.05495	32.7
80.05016	1.8
80.05847	2.3
81.07056	4.8
91.05483	59.8
92.05816	3.0
93.07045	52.1
94.07356	2.1
94.07893	1.4
95.04968	9.0
98.55289	1.0
103.05487	2.1
105.04513	3.5
105.07040	25.9
107.04951	4.4
107.08596	100.0
108.08936	7.9
109.01086	9.4
109.06514	9.9
115.05445	2.2
117.07032	3.3
118.06522	2.5
119.03562	3.2
119.06068	7.2
119.08579	9.3
120.09367	3.4
131.56288	1.1
133.10146	1.3
135.04472	2.4
135.05504	1.9
135.08057	6.0
135.09146	3.0
135.11693	15.9
136.02165	96.9
136.06186	31.3
136.07545	7.6
136.11194	1.4
136.12094	1.4
137.04564	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
54.10371	0.9
55.01869	2.4
55.05511	12.5
55.16042	0.9
58.02755	1.0
65.03938	3.2
67.05495	4.7
69.07081	5.1
69.33377	1.0
71.09956	1.8
73.59866	0.9
77.03931	1.9
79.05492	31.8
80.05836	1.4
81.07057	4.9
91.05481	56.4
92.05817	2.4
93.07044	67.6
94.07372	1.7
94.07899	0.9
95.04969	8.9
105.04519	4.5
105.07027	20.3
107.04958	2.1
107.08594	100.0
108.08203	1.7
108.08941	4.1
109.06502	7.3
112.39352	0.8
115.05475	2.9
117.07019	3.9
119.06065	4.9
119.08593	8.0
120.09361	4.4
135.04407	1.3
135.08051	15.2
135.11694	18.8
136.02162	9.5
136.06189	6.5
136.07555	8.4
136.12068	1.2
154.89220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.00595	0.5
51.02364	0.9
53.03951	6.7
55.01867	1.4
55.05513	10.5
57.31156	0.5
65.03944	4.7
67.05507	4.9
69.03393	0.5
69.07068	3.0
70.14738	1.2
70.15104	1.3
77.03947	1.2
79.05495	27.0
80.03600	0.5
80.05835	1.0
81.03413	1.0
81.07054	4.0
91.05483	53.2
92.05809	1.7
92.06313	0.9
93.03413	4.4
93.07045	48.0
94.07359	2.8
94.07885	0.8
95.04970	7.7
95.08609	0.8
103.05426	0.9
105.04510	2.6
105.07034	26.1
106.04194	0.8
106.07298	1.1
107.04980	2.6
107.08595	100.0
108.08932	6.2
109.01096	1.4
109.06531	7.9
115.05447	1.4
117.07048	2.8
119.03522	1.0
119.06063	5.7
119.08583	9.3
120.09424	3.6
133.10162	0.8
135.04408	1.0
135.08066	4.8
135.11694	17.8
136.02168	13.0
136.06181	6.8
136.07545	1.1
136.12053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	5.8
55.05512	13.6
59.29441	1.0
65.03945	2.5
67.05504	2.8
69.07062	3.0
69.14322	8.6
69.49524	1.0
69.67793	1.1
76.28462	1.0
77.03934	1.5
78.53094	1.0
79.05492	24.4
79.38065	1.0
81.07055	3.2
83.63567	1.1
91.05479	44.7
92.05780	1.8
92.06292	1.5
93.07044	50.0
94.07352	2.4
94.80431	1.1
95.04963	4.0
98.22542	2.0
105.04510	3.5
105.07031	19.0
107.08594	100.0
108.08945	4.1
109.06489	6.3
117.06987	2.4
119.06110	6.1
119.08580	7.7
120.09364	3.1
133.10129	1.5
135.08066	1.2
135.11702	16.4
136.02162	11.0
136.06157	5.4
136.54448	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01852	0.9
55.05511	12.0
64.23460	1.0
65.03932	3.9
67.05507	7.7
69.07072	5.0
70.90498	1.9
70.90816	1.0
74.55164	1.0
77.03920	2.0
79.05492	35.4
80.05814	1.3
81.03430	1.1
81.07069	9.4
91.05483	49.3
92.05809	2.4
93.07045	64.9
94.07375	2.5
95.04967	7.5
95.08638	1.0
103.05477	1.3
105.04499	2.6
105.07038	24.3
106.07291	1.4
107.04984	2.5
107.08596	100.0
108.08923	4.8
109.01107	1.8
109.06507	6.4
115.05461	1.5
117.06983	1.8
119.03555	1.8
119.06096	5.8
119.08575	8.4
120.09346	3.9
133.10159	1.2
135.08070	4.0
135.11684	24.6
136.02165	28.3
136.06195	15.3
136.07292	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	10.2
55.01876	14.0
55.05517	13.0
57.07084	1.8
64.89525	1.1
65.03946	3.2
67.05512	35.9
68.05847	1.6
69.07069	8.9
70.17661	1.1
71.30084	1.1
77.03919	2.5
79.05498	81.7
80.05830	2.6
81.03397	1.4
81.07063	25.4
82.07410	1.4
91.05486	38.9
92.05811	2.1
93.07050	100.0
94.07370	3.9
94.07883	1.8
95.04987	8.0
105.04515	3.0
105.07037	7.9
107.04956	2.9
107.08601	49.8
108.08927	2.2
109.01122	3.4
109.06530	2.0
115.05455	2.6
117.07041	3.0
119.03571	1.1
119.06083	1.9
119.08595	2.2
135.04474	1.2
135.08066	21.5
135.11697	42.0
136.02177	38.3
136.06190	19.3
136.07414	2.0
136.08467	1.6
136.12004	1.8
137.04613	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.2
53.03944	7.6
55.01869	2.8
55.05515	11.2
57.02932	0.6
57.07078	0.9
65.03932	8.0
67.05521	5.2
69.07085	2.0
69.33463	4.9
73.38525	0.7
77.03923	2.3
79.05497	37.1
80.05828	1.5
81.03426	0.8
81.07053	3.1
89.03924	5.9
91.05482	84.3
92.05809	4.4
92.06310	1.3
93.03410	1.4
93.07046	50.7
94.07367	2.5
94.07887	0.8
95.04976	11.8
95.08611	1.6
103.05471	3.2
104.06258	2.0
105.04553	4.4
105.07035	39.3
106.07338	2.1
107.04964	10.1
107.08596	100.0
108.08925	5.1
109.01135	1.5
109.06519	9.8
115.05458	4.1
117.07037	6.2
118.06555	1.2
119.03588	1.3
119.06081	7.0
119.08585	23.7
120.05686	0.7
120.09409	8.2
124.05202	0.7
133.10146	1.7
135.04413	4.2
135.05449	1.4
135.08061	20.5
135.09097	1.4
135.11696	26.6
136.02164	24.4
136.06181	14.4
136.07538	2.6
136.08463	1.0
136.12039	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02370	1.6
53.03954	13.1
55.01878	15.6
55.05507	13.2
64.73808	1.2
65.03942	5.8
67.05510	34.9
69.07066	7.5
69.99004	2.1
69.99405	3.0
79.05495	84.7
80.05014	1.5
80.05820	4.4
81.03427	1.4
81.07059	28.3
84.14066	1.4
86.50722	1.3
88.35888	1.3
91.05484	39.3
92.05833	2.1
93.07050	100.0
94.04069	2.2
94.07367	3.6
95.04994	10.9
105.04515	4.4
105.07040	9.5
107.04965	4.7
107.08600	55.8
108.08899	3.0
109.01093	9.6
109.06518	3.1
115.05508	2.6
117.07056	2.9
119.03558	6.0
119.08616	2.8
135.04483	1.4
135.05507	1.8
135.08087	23.0
135.09105	2.9
135.11703	38.4
136.02170	94.9
136.05127	3.0
136.06192	43.4
136.07559	3.9
136.08501	1.8
136.11124	1.8
136.12048	3.6
137.04593	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.11430	1.4
53.03952	10.8
53.55649	1.4
55.01883	1.9
55.05515	9.2
57.07076	1.5
61.80395	1.2
65.03942	4.8
67.05504	6.1
69.07072	4.7
77.03932	1.8
79.05500	36.7
81.07048	5.1
91.05484	70.5
92.05793	1.3
93.07048	53.1
95.04969	8.4
103.05487	3.3
105.04523	2.4
105.07037	30.7
107.04955	4.6
107.08599	100.0
108.08947	5.2
109.01109	5.2
109.06532	6.1
115.05477	3.9
117.07031	4.5
119.03562	2.2
119.06053	5.8
119.08585	18.9
120.09355	4.2
121.27911	1.7
122.01663	1.2
130.45602	1.4
133.10146	2.5
135.04472	1.6
135.05493	1.6
135.08052	16.5
135.11703	30.7
136.02174	49.9
136.06184	24.6
136.07404	2.3
136.07597	3.3
136.12077	1.8
137.04549	2.0
154.53030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94447	0.2
64.58436	0.2
65.67992	0.2
67.02982	0.7
70.67668	0.3
70.67999	0.2
82.04066	0.3
83.61641	0.2
88.82928	0.2
90.15469	0.2
92.02496	0.8
94.04060	4.0
94.04662	0.2
101.32558	0.2
104.78549	0.2
107.37290	0.2
108.63649	0.2
109.05129	0.9
112.05103	0.2
119.03554	15.4
120.03902	0.3
122.03652	0.4
131.01884	0.5
136.02229	1.0
136.06189	100.0
137.04605	7.4
137.06670	3.3
138.04910	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02991	0.3
67.02995	0.4
69.80515	0.8
82.04069	0.2
91.05512	0.3
92.02493	1.1
92.05029	0.2
94.04059	4.3
94.60564	0.2
98.22692	0.3
109.01127	0.2
109.05127	0.8
112.05110	0.4
119.03556	14.6
120.03902	0.3
122.03606	0.3
124.54755	0.2
136.02214	2.1
136.06192	100.0
137.02347	0.2
137.04605	7.4
137.06676	3.0
138.04938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.02990	0.2
56.96566	0.1
67.02995	0.6
69.70524	0.5
82.04082	0.3
89.88990	0.1
91.05488	0.9
92.02497	0.9
94.04052	4.7
95.04378	0.1
109.05137	1.1
112.05088	0.3
119.03549	14.7
120.03905	0.5
136.06186	100.0
137.04602	6.9
137.06628	3.2
138.05086	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	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72950	0.2
53.03664	0.2
53.03934	0.3
56.96568	0.3
58.99870	0.3
65.03938	0.6
65.12611	0.2
67.02988	0.7
69.59753	0.9
79.05501	0.2
80.05013	0.5
81.03430	0.3
83.60722	0.2
91.05486	15.0
92.02480	0.8
92.05822	0.5
93.05784	0.3
94.04089	5.8
94.06563	0.4
95.05016	0.3
98.22505	0.3
107.04954	0.9
108.08115	0.3
109.01107	1.8
109.05095	0.9
110.03558	0.3
112.05068	0.3
113.00874	1.7
118.06574	0.7
119.03558	14.3
119.04861	2.7
120.03909	0.4
120.05263	0.3
122.03652	2.6
131.01913	9.7
132.02061	0.7
136.02177	12.6
136.06190	100.0
137.02425	0.7
137.04588	9.7
137.05925	3.6
137.06625	1.5
137.10707	0.5
149.02988	1.6
150.03096	0.3
154.03448	0.2
154.94179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03943	1.6
55.01868	1.4
58.20457	0.6
58.36100	0.7
65.03934	3.1
66.04440	0.8
66.04729	10.4
66.13443	0.7
67.05504	2.2
68.05027	0.7
70.57977	1.3
77.03909	1.2
79.05489	6.4
81.07063	3.8
85.82244	0.7
91.05486	6.3
92.04992	1.0
93.07056	0.7
94.04191	64.3
95.04505	1.9
95.05016	1.4
95.06095	0.7
95.08624	1.5
105.03390	1.1
105.04491	0.8
107.04934	2.4
108.06858	1.1
109.06544	1.3
109.07635	1.6
110.01441	0.9
110.06035	2.2
111.05575	1.2
121.06480	0.8
121.19749	0.8
122.03652	81.6
122.07318	1.0
123.03989	3.8
123.06785	2.3
135.04460	1.0
137.02536	9.1
137.05977	100.0
137.10719	1.6
138.01762	3.2
138.05452	3.3
138.06357	5.7
138.09135	2.2
147.62862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02391	1.0
51.21524	0.3
53.03951	2.3
53.21949	0.3
53.46045	0.3
55.01878	1.9
55.05517	1.3
60.80764	0.4
65.03946	3.2
66.04724	9.0
67.05166	0.7
67.05505	7.2
67.29754	0.4
68.83060	0.4
69.03421	0.6
69.07076	0.4
71.30702	0.6
71.44214	0.3
77.03923	1.0
79.05493	7.2
81.03423	2.5
81.07056	6.2
82.32248	0.3
91.05486	9.7
92.04995	0.5
92.05813	1.3
93.03426	0.7
93.07048	1.7
94.04189	55.6
94.06564	1.1
95.04502	1.4
95.05029	3.7
95.06106	0.3
95.08599	2.4
96.04501	1.0
96.05309	0.4
103.44308	0.4
103.65885	0.4
105.03375	0.6
105.04529	0.8
107.04952	3.1
109.02921	0.4
109.06524	3.2
109.10149	2.5
109.31537	0.5
109.84885	0.5
110.01443	0.4
110.06052	1.4
119.04944	1.2
119.06139	0.4
119.08577	0.7
121.06527	0.6
122.03648	73.0
122.07271	2.8
123.03964	3.1
123.06806	0.8
129.91133	0.4
135.04425	0.5
137.02556	3.7
137.05972	100.0
137.09575	5.1
138.01726	0.9
138.05473	3.5
138.06339	5.2
138.09122	1.6
159.94992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.9
53.03945	2.2
55.01878	1.4
55.05508	2.6
57.07064	0.7
65.03946	3.1
66.04723	9.0
67.05505	16.4
68.05834	0.5
69.03438	1.3
69.07063	1.6
71.30694	0.6
77.03934	1.1
79.05494	8.2
80.05829	0.4
81.03422	1.8
81.07059	12.4
83.04993	0.8
91.05485	9.8
92.05789	0.6
93.07032	3.2
94.04189	57.8
94.07349	0.6
94.07886	0.4
95.04485	1.5
95.04977	5.3
95.07343	0.4
95.08611	11.0
96.08970	0.4
96.17348	0.4
104.06265	0.4
105.03410	0.8
105.04525	0.9
107.04960	5.4
107.08580	1.9
108.17004	0.4
109.06527	6.9
109.10152	8.3
110.06107	0.5
119.08572	3.2
121.06522	1.7
122.03648	77.8
122.07285	14.0
123.03979	4.7
123.07613	0.5
135.04399	0.8
135.08104	0.4
137.02570	2.0
137.05977	100.0
137.09607	19.6
137.13181	0.9
138.01665	0.6
138.05469	0.8
138.06346	5.2
138.09959	1.2
144.09860	0.4
148.51077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.19968	0.3
51.02381	1.1
53.03952	1.9
54.47312	0.3
55.01873	0.9
55.05518	0.6
65.03945	3.3
66.04385	0.6
66.04726	11.1
66.05074	0.6
67.05507	3.7
67.95559	0.3
69.03429	0.6
69.06924	2.1
70.15115	0.3
77.03930	1.1
79.05499	6.9
81.03432	0.6
81.07059	4.4
91.05488	5.6
93.03407	0.3
93.07043	0.8
94.04191	67.7
95.04446	2.1
95.05051	2.0
95.08624	1.8
96.04472	0.4
97.57480	0.3
105.03400	1.3
105.04534	1.2
107.04955	3.8
108.06865	0.3
109.06528	2.4
109.07672	0.4
109.10170	1.4
110.06055	0.4
119.08563	1.0
120.04493	0.4
121.06535	0.5
122.03651	82.2
122.07252	3.5
123.03983	4.1
135.04390	0.7
137.02533	2.6
137.05978	100.0
137.09544	2.9
138.01738	1.2
138.05453	1.3
138.06326	5.3
138.09090	0.7
143.02065	0.3
156.64166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02378	0.8
53.03952	1.8
55.01877	0.7
65.03935	2.7
66.04385	0.7
66.04729	11.0
67.05509	1.5
69.47404	2.2
77.03949	0.7
79.05500	5.7
81.03435	0.8
81.07053	3.7
91.05493	5.6
94.04192	64.2
95.04454	2.0
95.04988	1.6
95.06110	0.5
95.08617	0.7
99.06169	0.4
105.03388	0.7
105.04534	0.9
107.04936	2.2
109.06488	1.3
109.07651	0.6
110.06030	0.8
111.05579	0.5
120.04531	0.5
121.06530	0.6
122.03652	83.7
123.03992	3.9
135.04469	0.8
137.02542	3.3
137.05977	100.0
137.09608	1.1
138.01729	1.9
138.05476	0.9
138.06346	6.2
138.09167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	0.8
53.03951	2.0
55.01876	0.9
55.05522	0.4
59.05558	0.3
63.68937	0.3
65.03944	2.7
66.04725	10.2
66.05079	0.6
67.05151	0.7
67.05499	3.9
69.03427	0.5
69.07093	0.4
71.04915	0.5
77.03932	1.1
78.77475	0.4
79.05499	5.3
81.03449	0.4
81.07060	3.1
91.05478	5.4
94.04189	65.6
95.04436	2.0
95.04992	1.6
105.03379	0.9
107.04956	2.9
107.08547	0.4
109.06506	2.7
109.10155	1.5
119.08543	0.7
121.06544	0.6
122.03648	81.0
122.07268	4.0
123.03979	3.9
135.04431	1.4
137.05977	100.0
137.09547	4.0
138.06317	6.3
141.68983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02393	0.8
53.03942	1.5
55.01874	0.8
58.66803	0.3
59.38101	0.3
65.03938	2.4
66.04726	9.5
67.05509	0.5
69.03442	0.4
69.59085	0.6
69.59496	1.3
76.12656	0.3
77.03931	1.1
79.05498	5.4
81.07062	2.2
86.01846	0.3
91.05484	4.2
94.04189	61.6
95.04475	2.2
95.05023	0.6
96.25623	0.3
105.03415	0.7
105.04501	0.9
107.04958	2.2
109.06533	0.9
122.03651	78.9
123.03998	3.7
135.04427	1.0
137.05978	100.0
138.06313	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	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	1.0
53.03956	1.5
55.01882	0.6
56.96557	0.5
62.79998	0.4
63.91284	0.3
65.03960	1.7
66.04729	8.3
67.05517	0.6
69.03439	0.6
70.41217	0.9
77.03945	1.4
79.05500	5.3
81.03398	0.5
81.07063	1.7
91.05494	5.2
92.05766	0.4
93.15408	0.5
94.04193	55.9
95.04497	1.6
95.05006	1.3
96.47115	0.4
105.03419	1.0
105.04507	0.6
107.04941	2.2
109.06577	0.6
120.03896	0.8
122.03654	73.9
123.04009	3.2
135.04416	0.6
137.05968	100.0
138.01740	0.6
138.06337	5.6
138.09096	0.5
154.94186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02370	1.7
51.52977	1.2
52.68732	1.4
53.03953	6.7
54.11287	1.3
55.01859	5.9
55.05512	7.8
65.03933	6.3
66.04716	5.2
67.05508	69.8
68.05813	3.0
69.03419	3.9
69.07056	4.3
70.90785	2.4
79.05489	19.6
81.03427	3.5
81.07062	31.2
83.04989	3.8
91.05478	30.1
93.07061	9.7
93.43945	1.4
94.04191	33.8
94.07821	2.7
95.04441	1.8
95.04980	16.8
95.08607	20.7
103.05448	2.7
107.04955	29.4
107.08591	4.8
108.05759	1.7
109.06515	38.6
109.10154	44.7
110.10468	3.1
117.07030	4.1
119.06105	2.6
119.08579	19.7
121.06508	11.1
122.03648	42.4
122.07286	100.0
123.07631	4.7
125.80116	1.2
132.18912	1.5
135.08038	5.5
137.05980	53.4
137.09612	92.8
137.71037	1.5
138.06281	3.8
138.09955	5.4
154.57645	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
53.20635	0.6
54.59164	0.8
55.01894	2.4
55.05510	10.5
57.03460	1.0
57.07084	0.7
57.64907	0.5
59.16501	0.5
65.03943	6.5
66.04749	1.7
67.05506	73.8
68.05852	2.1
69.03422	4.3
69.07074	3.1
71.30917	1.0
72.83346	0.5
77.03938	1.0
78.95758	0.7
79.05491	15.7
80.06268	0.7
81.03418	5.2
81.07058	31.4
82.07410	1.6
83.04989	3.0
91.05482	38.8
92.05833	2.1
93.07046	8.1
94.04192	22.6
94.07845	1.1
95.04485	0.8
95.04974	17.0
95.05544	1.0
95.08607	17.1
103.05476	2.2
104.06262	1.8
105.04514	2.2
105.07038	1.6
107.04954	31.7
107.08596	5.8
108.05817	2.9
109.06523	46.0
109.10158	48.4
110.06142	0.8
110.06857	1.9
110.10526	2.1
115.08971	0.6
117.07012	4.6
119.06119	3.4
119.08578	20.1
120.08932	1.3
121.06500	10.1
122.03654	22.6
122.07287	100.0
123.03989	1.1
123.06801	0.7
123.07603	4.2
135.08035	3.8
137.02388	2.5
137.05972	34.2
137.09615	93.6
138.05415	1.3
138.06332	2.0
138.09950	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02362	1.1
53.03941	6.2
55.01869	3.4
55.05515	7.6
57.03438	1.4
65.03947	5.8
66.04722	5.2
67.05504	67.9
68.05839	2.2
69.03418	4.6
69.07069	3.6
69.10509	5.2
77.03920	1.6
79.05492	15.9
80.06276	0.9
81.03417	4.7
81.07057	27.0
82.07395	1.1
83.04987	3.1
83.37342	0.8
91.05479	36.5
92.05827	1.6
93.07053	8.4
94.04189	37.8
94.07826	2.4
95.04450	1.3
95.04976	14.0
95.08604	10.6
98.23352	1.7
103.05462	2.9
103.51043	0.7
104.06264	1.4
105.04543	1.4
105.07041	1.4
107.04953	33.6
107.08593	5.0
108.05723	2.2
109.06517	43.0
109.10155	49.6
110.06849	1.5
110.10490	2.0
117.07031	4.2
119.06035	3.2
119.08579	17.2
120.08907	1.3
121.06500	11.1
122.03649	45.7
122.07286	100.0
123.03979	1.6
123.07626	5.1
135.08020	4.7
137.02475	2.7
137.05975	57.8
137.09610	83.5
138.01715	1.0
138.05429	1.5
138.06352	2.7
138.09959	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01880	1.6
55.05513	3.0
65.03937	4.2
66.04723	10.8
67.05504	23.2
69.03442	1.7
69.07069	1.2
70.58046	1.4
73.88820	0.5
77.03944	1.5
79.05495	10.4
79.05949	0.4
81.03418	1.7
81.07054	13.3
81.07524	0.9
83.04990	0.8
86.32127	0.6
91.05056	0.3
91.05479	16.9
93.07024	2.7
94.04183	62.9
94.07858	0.7
95.04496	1.5
95.05007	5.8
95.08611	6.3
96.04463	0.6
102.44936	0.5
103.05460	1.1
104.06313	0.6
105.04503	0.6
107.04954	9.8
107.08602	1.2
109.06512	13.5
109.10154	15.0
110.06082	0.9
110.06805	0.7
110.10484	0.7
117.07024	1.1
119.06038	0.7
119.08591	4.9
121.06508	3.6
122.03645	79.2
122.07278	29.2
123.03980	3.9
123.07564	1.2
135.04413	0.9
137.02542	4.1
137.05971	100.0
137.09602	26.9
137.10677	1.3
138.01743	2.3
138.05464	1.0
138.06339	6.4
138.09026	0.6
138.09953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.13785	1.7
53.03936	6.1
53.18904	1.6
55.01871	3.9
55.05512	12.1
57.03423	2.1
62.84395	2.0
62.85955	1.6
63.65436	1.8
65.03934	6.2
66.04723	3.4
67.05506	71.8
68.05820	2.3
69.03426	5.0
69.07088	3.9
69.15109	1.6
69.18243	14.4
77.11604	1.7
79.05492	13.5
81.03405	4.2
81.07057	32.3
83.04983	3.1
88.62968	1.9
91.05478	34.4
93.07030	7.4
94.04179	22.0
94.07833	4.3
95.04978	12.3
95.08617	22.2
98.23418	3.6
107.04955	34.6
107.08586	6.2
109.06520	45.0
109.10159	50.0
117.07024	5.3
119.06050	3.6
119.08578	19.6
121.06482	6.7
122.03661	19.9
122.07285	100.0
122.20487	1.8
123.07624	4.1
137.05989	25.5
137.09616	98.9
137.10675	4.7
138.09938	6.1
142.81549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03958	2.1
55.01878	0.6
55.05515	1.4
55.07978	0.4
64.58380	0.4
65.03954	1.4
66.04713	1.1
67.05508	28.5
68.05835	0.9
69.03439	2.1
69.07076	1.0
70.66568	0.8
77.03918	0.8
78.04728	0.7
79.05495	5.0
81.03434	0.5
81.07056	8.4
81.07516	0.6
91.05482	14.6
92.05832	0.7
93.07047	3.3
94.04192	5.9
94.07811	1.3
95.04990	2.6
95.08609	4.8
102.30562	0.4
103.05471	2.0
104.06267	1.1
105.04523	0.7
107.04955	26.6
107.08604	1.6
108.05296	1.4
109.06519	1.0
109.10159	32.4
110.10493	1.5
117.07018	2.3
119.08585	16.5
119.09444	0.9
120.08942	1.0
120.23412	0.5
121.06509	8.9
122.03674	7.6
122.07291	100.0
123.07626	4.2
135.08057	4.4
137.02533	0.9
137.05992	10.5
137.09618	71.6
138.01747	0.5
138.09970	4.9
140.22144	0.5
147.49785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01878	0.8
55.05507	2.0
65.03950	2.0
66.04717	1.2
67.05505	29.1
68.05832	0.9
69.03432	1.4
69.07072	1.0
69.31284	1.9
69.31693	3.1
73.29173	0.6
77.03933	0.8
77.67629	0.6
78.04700	0.6
79.05490	5.8
81.07057	10.7
91.05479	14.3
92.05818	0.9
93.07036	5.1
94.04195	6.8
94.07820	2.3
95.04985	3.1
95.08602	8.2
96.57136	0.7
98.23319	1.2
103.05483	1.8
104.06258	1.5
105.04554	1.0
107.04957	24.7
107.08607	1.5
108.05305	1.2
109.06518	1.4
109.10153	32.1
110.10499	1.6
117.07026	2.7
119.08581	15.1
120.08904	0.9
121.06517	9.3
122.03661	9.7
122.07289	100.0
123.07600	5.9
129.66310	0.7
135.08031	4.2
137.02449	0.9
137.05998	13.1
137.09616	79.7
138.06374	0.9
138.09947	5.0
139.07553	0.7
157.92865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03943	4.9
55.01861	3.1
55.05517	7.0
57.07063	1.4
65.03614	0.8
65.03928	5.0
67.05508	66.2
68.05825	1.6
68.34308	0.8
69.03439	3.4
69.07084	2.2
77.03941	1.0
78.04723	1.0
79.05497	12.1
79.50029	0.8
81.03419	2.9
81.07059	22.3
83.04956	2.6
89.17841	0.9
91.05484	31.6
91.76877	0.8
92.05816	1.3
93.07056	7.5
94.04168	2.7
94.06579	2.6
94.07845	2.1
95.04969	13.2
95.08610	10.5
96.04487	0.8
103.05470	2.7
104.06258	1.0
105.06999	1.4
107.04957	34.1
107.08597	3.7
108.05817	1.2
109.06528	37.5
109.10160	42.1
110.06049	2.3
110.06865	1.9
110.10497	3.0
115.05482	1.2
117.07014	3.2
119.06070	2.9
119.08584	18.3
121.06517	10.1
122.03654	1.3
122.07294	100.0
123.06859	1.8
123.07637	5.4
135.08084	4.2
137.02521	4.2
137.09622	78.7
138.01755	1.8
138.05519	8.6
138.06517	1.2
138.10007	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	137.1325
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02387	1.0
51.41284	0.9
53.03937	4.7
55.01866	1.1
55.05507	9.5
57.07069	9.0
65.03935	1.7
66.04722	6.1
66.08351	1.1
67.05506	38.2
68.05849	1.6
69.03408	2.3
69.07065	5.8
71.30599	1.2
79.05497	13.9
80.14626	1.0
81.07057	75.7
82.07375	3.8
91.05484	8.5
93.07054	8.7
94.03592	1.8
94.04190	32.1
95.04974	3.2
95.08608	100.0
96.08936	3.6
100.50385	1.0
107.04950	3.9
107.08571	2.1
108.06799	1.4
109.06495	3.0
109.10149	10.7
109.97377	1.2
110.06037	2.0
119.08546	3.2
122.03651	32.3
122.07283	5.1
123.03956	1.7
123.06865	1.1
137.02530	8.5
137.05959	48.8
137.07024	2.5
137.09608	12.0
137.13257	8.8
138.01695	3.4
138.05467	5.9
138.06380	2.8
138.09085	1.8
138.13586	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
50.01580	0.8
52.43425	0.8
53.03931	2.5
54.86948	0.7
55.01860	0.7
55.05511	6.4
57.07079	13.9
65.03944	2.9
65.04288	0.7
66.04714	2.5
66.33392	0.8
67.05508	32.7
68.05848	1.7
69.03446	0.7
69.07072	6.5
69.28136	2.5
69.28565	3.1
69.90804	0.7
79.05493	12.6
81.03454	0.9
81.07059	81.4
82.07381	3.9
91.05496	4.3
93.07048	8.9
94.04185	13.7
94.06541	0.9
95.05004	1.7
95.08611	100.0
96.08929	6.0
107.04977	1.2
107.08601	2.1
108.06902	0.9
109.06548	1.3
109.07566	0.9
109.10160	9.4
110.01426	0.7
110.06057	2.0
117.07022	0.8
119.08582	1.8
120.04498	0.9
120.08018	0.8
122.03656	15.3
122.07256	2.5
123.04004	1.4
137.02547	7.7
137.05963	25.0
137.07013	1.8
137.09613	4.3
137.10542	0.9
137.13242	9.1
138.01741	3.0
138.05489	2.2
138.09122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03948	0.6
53.18435	0.2
55.05499	0.1
65.03938	1.3
65.48737	0.2
67.05505	1.2
69.95941	0.6
71.44850	0.2
78.03445	0.9
79.04227	0.5
92.05006	8.6
93.05808	1.0
94.06569	22.2
95.06911	0.6
96.04496	4.1
109.29739	0.2
110.06044	13.5
110.84421	0.2
111.06383	0.4
133.03444	0.2
136.03944	0.5
138.05502	100.0
139.05855	5.5
154.04994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
53.18435	0.2
55.05499	0.1
65.03938	1.3
65.48737	0.2
67.05505	1.2
69.95941	0.6
71.44850	0.2
78.03445	0.9
79.04227	0.5
92.05006	8.6
93.05808	1.0
94.06569	22.2
95.06911	0.6
96.04496	4.1
109.29739	0.2
110.06044	13.5
110.84421	0.2
111.06383	0.4
133.03444	0.2
136.03944	0.5
138.05502	100.0
139.05855	5.5
154.04994	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03946	1.9
55.01870	3.5
55.05509	7.1
56.96558	2.7
57.03429	1.4
57.06792	1.5
57.07074	28.0
58.07396	1.1
59.04998	4.2
67.05495	2.9
69.03428	100.0
69.07071	6.9
69.30111	1.3
69.30518	4.0
70.03758	2.9
71.04974	1.1
71.95258	1.4
77.39468	0.7
79.05492	7.4
81.07074	3.6
83.04983	25.2
91.05469	3.6
93.07039	14.4
95.04977	2.4
95.08601	7.2
96.05712	1.2
97.02879	1.1
97.06530	15.6
97.10149	1.2
98.06843	1.6
98.97587	15.1
101.61858	0.7
105.07040	4.6
109.06512	2.4
109.10149	1.2
110.95559	0.8
111.08096	2.4
116.98616	10.8
121.02865	1.4
121.06511	1.7
121.10143	12.7
124.08832	4.7
134.99640	3.5
139.07567	2.0
139.11180	38.0
140.11537	2.2
150.80492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	25.2
70.00340	2.6
71.95271	7.2
74.06300	0.7
85.43694	0.7
89.72556	0.7
91.50991	0.7
95.01276	0.9
98.97585	100.0
99.97908	1.5
116.98624	54.0
117.98994	0.8
134.99654	15.6
153.00729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	1.8
56.96571	27.2
57.93564	2.2
67.05528	1.2
69.59753	3.0
69.60165	1.4
71.95276	7.0
72.37887	0.8
89.90067	0.9
94.06577	1.5
95.84313	1.0
98.97590	100.0
99.97935	1.3
112.03957	1.1
116.97260	3.0
116.98629	66.6
117.99023	1.1
122.06013	1.4
134.99669	28.0
140.00208	1.2
140.07086	2.9
153.00714	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	141.0699
Annotation	Norcapillene
Peak:m/z	Relative Intensity
56.96561	0.2
63.02390	0.5
69.66013	0.9
72.49738	0.2
86.01678	0.2
86.23539	0.2
86.34637	0.2
87.66369	0.2
91.05474	1.4
96.08675	0.2
115.05460	52.0
116.05795	2.5
116.98576	0.2
124.07632	0.3
132.19968	0.2
139.05414	0.4
141.06995	100.0
142.07829	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	141.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.05521	9.4
57.03426	2.1
58.42418	1.5
61.02923	1.8
67.05509	30.3
69.07057	2.4
71.04998	14.9
71.31370	3.0
79.05499	7.9
81.07063	19.4
82.07352	2.2
83.04982	7.7
85.06551	2.8
91.05500	1.8
93.07050	4.3
95.08611	50.6
96.08931	4.2
97.06545	11.6
99.04456	2.0
99.08103	7.2
99.97942	2.3
112.27871	1.7
115.05461	39.7
116.05798	2.8
123.08055	10.1
141.06995	100.0
141.09166	3.7
142.05000	3.3
142.07811	15.4
155.43048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94731	4.4
82.78981	1.5
82.99848	3.4
94.26865	1.8
98.22696	2.7
100.02501	5.1
100.97204	1.6
101.00888	41.1
102.00977	1.7
118.03512	11.8
119.01929	100.0
120.02011	4.9
120.08547	1.6
128.38219	1.7
131.95784	1.5
136.04575	8.4
137.02971	24.1
142.03523	18.8
143.03578	1.9
160.04556	8.3
162.94293	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91845	5.9
73.97683	1.4
73.98142	1.5
74.70749	1.7
82.99859	3.1
100.02502	5.1
101.00883	35.1
101.01483	2.6
116.38702	1.6
118.03524	12.6
119.01929	100.0
120.02088	2.1
125.02482	1.4
125.53614	1.6
136.04547	9.5
137.02971	20.4
142.03516	12.9
142.04517	1.6
142.04907	1.3
143.03459	4.6
149.54010	1.4
156.44785	1.5
160.04570	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99860	1.8
59.05020	1.1
66.03458	1.4
69.03439	1.4
70.99862	4.1
73.88686	0.8
77.00926	1.8
81.04556	1.7
82.99860	2.7
89.00897	1.6
94.21228	0.8
98.47206	0.9
100.02494	3.5
101.00883	42.7
102.00948	1.4
102.57623	1.0
114.05522	4.3
118.01181	0.9
118.03526	10.2
119.01924	100.0
120.02042	3.2
124.02503	1.1
131.69669	0.9
136.04565	5.5
137.02962	21.4
138.03001	0.9
142.03506	12.5
142.04974	3.4
142.08682	1.2
142.39182	0.7
143.03383	7.6
160.04582	7.7
161.02979	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	143.0855
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
51.41671	0.3
55.58096	0.3
65.03871	0.7
69.37324	0.9
69.37724	1.4
89.03881	0.4
90.79578	0.4
91.05473	4.1
103.05465	2.3
115.04666	0.7
115.05457	11.6
116.06281	0.8
117.07000	0.4
120.25817	0.3
127.05436	2.2
128.06224	100.0
129.06497	5.4
133.06531	0.4
141.06995	4.7
142.07300	5.4
143.05025	1.7
143.06104	1.0
143.08588	25.4
144.05724	2.3
144.08923	1.7
145.06502	4.8
155.06041	7.4
156.06509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0856
Annotation	2-Methylnaphthalene
Peak:m/z	Relative Intensity
56.05026	0.4
60.95857	1.0
61.84972	0.4
65.03954	0.4
70.06599	0.9
71.95258	1.3
79.43588	0.4
80.05028	0.4
84.04498	1.0
84.08141	0.7
91.05465	1.4
95.31576	0.4
96.04500	0.5
97.00787	0.6
97.02881	0.9
98.06054	2.0
101.95032	4.8
102.96881	1.1
103.05473	2.5
115.05457	9.5
116.05783	1.2
119.96041	2.0
120.97887	1.0
121.00748	0.5
124.54758	0.3
126.05486	0.7
127.05430	2.5
128.06223	100.0
129.06548	6.2
133.06415	0.3
137.97079	1.9
138.98932	1.5
139.01801	1.3
141.07004	3.9
142.07310	9.1
143.03455	0.8
143.04926	1.0
143.06113	0.6
143.08612	19.6
144.05626	0.7
144.06609	0.8
144.07909	2.5
144.08926	1.5
144.10030	0.6
145.06483	4.3
155.06052	8.2
155.98137	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	1.4
55.05513	17.2
55.67638	1.2
57.07074	18.1
59.04993	3.7
65.03944	2.3
67.05502	11.7
69.03432	5.8
69.07075	2.3
71.04991	100.0
71.30949	1.3
72.05335	2.5
73.06550	10.4
79.05503	6.8
81.03400	1.4
81.07056	5.7
83.04984	12.1
83.08610	9.4
85.06539	40.2
91.05495	3.4
97.06532	1.9
97.10166	10.1
98.06049	2.8
105.07044	1.9
107.08592	26.5
107.09287	2.1
115.05426	7.8
125.09631	16.0
128.06224	47.2
129.06586	1.4
129.07042	1.7
135.30579	1.5
141.06981	2.2
142.07579	1.2
143.03410	4.6
143.08574	10.9
143.10649	3.1
144.04622	1.7
144.05641	1.4
144.06598	1.5
144.08072	3.4
145.06471	2.1
155.06039	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10047	2.5
53.03969	2.3
55.01889	2.4
55.05515	28.7
57.07080	21.2
59.05002	3.1
60.93596	2.5
65.03955	2.4
67.05519	10.6
69.03436	7.2
69.07075	10.2
70.80044	3.3
70.80364	3.1
71.04595	5.4
71.04996	100.0
72.05341	4.1
73.06562	11.6
79.05515	5.3
81.07064	4.5
83.04989	11.7
83.08623	10.3
85.06549	43.6
91.05473	5.6
92.61122	2.3
97.10175	9.1
98.06055	4.7
101.17596	2.3
107.08592	33.5
115.05464	9.7
115.18003	2.0
125.09636	21.9
128.06221	73.9
129.06944	2.3
141.07018	2.5
143.03391	4.2
143.08578	23.4
143.10641	5.9
144.08035	4.2
144.09032	2.6
145.06552	3.4
148.49275	2.3
155.06013	4.6
160.52760	2.4
161.45456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.9
55.01865	0.9
55.05513	10.6
57.07077	7.4
59.04995	1.7
60.24680	0.6
62.97230	0.6
65.03936	1.6
65.87648	0.6
67.05499	4.2
69.03429	2.9
69.07068	2.3
71.04996	43.8
72.04526	0.6
72.05324	1.1
73.06552	5.2
74.43642	0.5
79.05495	2.9
81.07045	2.7
83.05005	4.5
83.08618	5.1
85.06544	20.1
90.65536	0.5
91.05489	4.1
95.62428	0.5
97.06535	0.8
97.10166	7.7
98.06026	0.7
103.05477	2.7
105.06975	1.3
107.08597	16.1
108.08946	1.0
115.05457	12.3
116.06271	0.9
118.47120	0.5
125.02369	0.6
125.09641	11.2
125.10558	1.0
127.05463	2.1
128.06224	100.0
129.06607	5.4
141.07011	3.4
142.07298	5.3
143.03462	1.1
143.04945	0.9
143.08591	24.8
143.10625	4.3
144.04732	0.9
144.05711	3.1
144.07977	0.9
144.08934	1.7
145.06482	3.8
155.06039	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	143.1067
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01870	1.5
55.05515	21.3
57.07077	19.6
58.84539	1.2
59.04990	3.5
59.62214	1.5
67.05505	7.0
69.03423	7.7
69.07077	2.4
69.11246	1.6
69.11481	4.9
69.11897	6.8
71.04996	100.0
72.05307	2.8
73.06554	11.8
79.05479	3.4
79.99390	1.2
81.07067	4.2
83.04987	9.7
83.08609	9.7
85.06544	47.0
90.21358	1.2
91.05477	2.1
94.21758	1.2
96.95020	1.1
97.09611	2.0
97.10178	17.1
104.66673	1.2
107.08596	37.0
108.08931	2.1
115.05444	1.4
125.09634	31.0
128.06239	8.0
143.08521	4.2
143.10658	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	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01876	3.1
55.05513	26.8
57.07079	17.6
59.04993	5.3
65.03944	3.7
67.05512	11.7
69.03428	5.9
69.07059	3.8
69.20792	12.9
69.21205	4.9
70.75376	1.8
71.04994	100.0
73.06553	9.1
79.05497	5.0
81.07052	4.0
83.04964	12.5
83.08615	9.8
85.06545	41.1
86.06878	2.8
91.05495	4.0
97.10177	14.0
98.22646	4.7
106.73470	2.4
107.08591	29.2
115.05459	3.4
120.76280	2.8
125.09641	19.8
128.06212	26.9
143.08556	7.0
143.10677	5.2
144.08099	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03923	2.3
54.40582	2.5
55.05520	19.4
57.07076	19.5
59.04981	2.6
60.25084	2.1
67.05513	10.8
69.03442	5.1
69.07039	3.1
69.25346	4.1
69.25755	11.3
69.68789	2.1
71.04999	100.0
72.05327	2.6
73.06565	11.9
79.05511	3.6
81.07076	5.6
83.04993	11.1
83.08617	10.2
85.06551	39.8
91.05505	3.8
97.10161	15.0
105.07044	2.4
107.08611	30.0
108.08968	2.2
115.05511	3.9
125.09652	20.4
128.06250	17.8
143.08508	6.2
143.10727	4.5
155.06131	2.8
158.45230	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	144.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01884	9.2
56.05048	2.6
56.96581	8.9
57.03441	8.2
58.06611	3.2
58.70729	1.7
60.95852	5.5
61.02921	1.7
67.94607	1.5
69.03436	30.3
69.54295	6.5
70.06621	3.6
70.98132	1.9
71.04993	3.8
71.12609	2.0
80.05044	1.7
81.03427	3.6
83.00822	2.0
84.04510	2.6
84.08158	10.0
84.96042	4.1
84.99600	2.4
85.02427	2.9
85.02914	40.1
97.02892	10.8
98.06065	10.4
98.97595	10.9
99.04460	15.3
101.00888	5.5
102.00958	22.2
102.02218	3.8
102.96872	19.4
103.00642	30.4
109.02901	1.8
109.59624	1.5
113.02981	4.8
115.05502	1.9
116.98607	4.6
117.07036	3.6
119.01942	22.1
120.02038	76.5
120.03273	9.5
120.97910	16.1
121.01672	100.0
121.61507	2.2
126.03752	4.0
126.05547	3.6
127.03930	5.0
134.99690	2.8
137.02994	6.2
138.03093	20.9
138.04338	7.8
138.98962	4.5
139.01814	3.4
139.02724	27.3
144.03200	15.6
144.04836	4.6
144.06583	4.0
144.08099	1.9
144.10216	4.6
145.06493	2.3
155.06055	2.1
162.04332	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	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03951	6.1
55.01668	1.0
55.01881	11.8
55.05515	3.2
56.96569	4.5
57.03440	17.2
58.06597	3.7
59.04995	1.2
61.02925	3.7
62.92993	1.2
68.05036	0.9
69.03435	53.7
69.29359	3.8
69.29778	2.2
70.03776	1.2
71.01356	1.2
71.04999	5.9
72.08183	5.2
73.02923	2.9
73.06541	1.4
78.43282	1.0
80.05046	1.0
81.03423	8.5
85.02910	100.0
86.03244	2.5
86.06053	5.4
87.04485	5.9
89.03935	8.1
91.05496	3.3
97.02895	18.8
98.22585	2.1
98.97581	6.0
99.04459	24.6
101.00902	1.2
103.00635	14.2
103.01281	1.9
103.03992	1.2
103.05458	1.4
106.55201	0.9
109.02901	2.9
115.05472	3.3
116.98618	2.5
117.03404	3.2
117.07014	7.2
118.06558	2.1
118.07340	1.8
119.01938	7.3
120.02034	1.7
121.01668	71.7
121.61529	1.2
121.96626	1.8
122.02073	1.0
127.03923	10.1
128.04977	2.9
137.02988	2.4
138.03122	1.3
139.01808	2.7
139.02719	26.9
144.92143	1.4
145.03552	1.2
145.05078	2.7
145.06509	11.4
146.05989	8.2
146.08151	2.1
146.09308	1.0
155.06049	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03950	5.0
55.01875	13.3
55.05503	1.4
56.05027	1.3
56.96563	3.8
57.03439	18.1
58.06598	1.8
61.02937	7.4
62.92992	1.9
69.03432	61.9
70.03763	1.4
70.12945	3.6
71.01366	1.8
71.05004	5.4
72.08157	3.3
73.02914	2.5
73.06557	2.1
81.03426	8.4
83.01363	1.9
83.04989	1.2
85.02907	100.0
86.03252	2.4
87.04467	3.1
89.03919	8.7
91.05479	1.2
97.02888	23.6
98.22616	1.5
98.97591	4.4
98.98197	0.9
99.04457	25.2
103.00016	1.0
103.00612	6.5
109.02878	4.3
116.98626	2.0
117.03401	3.9
117.07049	2.3
118.06567	2.8
119.01915	2.7
121.00861	1.2
121.01666	30.9
121.61545	1.6
121.96632	2.4
126.48479	1.0
127.03924	11.3
127.05486	1.2
139.01767	3.6
139.02724	11.1
145.05031	1.7
145.06514	2.9
145.07608	2.3
146.06012	3.4
146.08182	1.6
155.06024	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03941	3.5
55.01875	15.4
56.96581	1.4
57.03442	19.6
58.06578	0.8
59.05001	0.8
59.06930	1.0
60.05632	1.2
60.08167	1.3
60.45676	0.7
61.02934	3.6
69.03432	59.3
70.03776	1.4
71.01347	1.1
71.04993	3.5
71.07294	1.6
72.08163	0.8
72.99590	0.9
73.02914	3.2
81.03426	6.7
81.53427	0.7
82.83682	0.7
83.01334	1.7
84.08146	0.8
84.96061	1.0
85.02909	100.0
86.03271	1.7
86.06067	6.1
87.04469	14.8
97.02902	18.9
98.97617	0.8
99.04461	18.8
100.07636	0.8
101.00928	0.7
103.00639	4.0
104.07108	1.0
109.02884	2.4
111.05533	1.3
121.01676	10.7
121.02459	1.3
125.01798	0.8
127.03939	7.6
131.01936	1.1
139.02747	2.2
145.04967	1.4
145.10555	7.4
146.09300	2.1
147.05074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
55.01875	14.9
57.03198	1.5
57.03439	18.9
58.80762	0.9
60.05651	1.7
61.02926	2.6
69.03432	60.0
70.03750	0.9
70.82079	1.5
71.01347	1.2
71.04979	3.0
73.02898	2.2
77.72260	0.9
81.03409	3.9
83.01376	1.0
85.02907	100.0
86.03242	2.2
86.06075	8.3
87.04476	10.6
93.50632	0.9
97.02895	17.0
99.04455	24.7
104.07079	1.1
109.02868	1.2
111.05575	0.9
115.10145	0.8
121.01656	1.8
127.03915	8.7
145.04950	1.2
146.06023	1.2
146.09251	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	145.0648
Annotation	1-Naphthol
Peak:m/z	Relative Intensity
66.65138	1.2
69.03421	2.1
70.35783	1.7
70.36091	1.7
72.08151	1.9
81.03449	1.3
85.02903	4.0
89.03926	1.4
91.05483	35.0
92.05765	2.0
97.02905	1.3
99.04413	1.9
102.04686	32.2
103.05485	20.2
104.05812	1.3
105.07027	21.4
115.05456	86.7
116.05779	4.6
117.03336	1.3
117.07018	100.0
118.06542	2.9
118.07349	6.3
127.05428	9.0
128.06244	1.4
129.06972	3.4
130.04137	17.9
130.07811	12.9
143.08586	4.5
144.02647	1.2
144.05583	1.5
145.06488	96.8
145.10129	22.7
146.05856	1.3
146.06844	7.5
146.07851	1.2
146.10536	2.2
148.78812	1.1
150.37024	1.1
155.06039	55.5
156.06390	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93239	1.7
56.14351	1.5
62.92997	24.2
64.04879	1.8
67.05519	9.0
69.03446	3.0
69.35538	8.0
69.35961	5.1
79.05500	4.2
82.06590	3.9
85.02936	4.6
86.06076	5.7
87.04466	2.6
91.05481	31.8
103.05463	5.8
105.07030	82.2
106.07370	4.6
115.05457	21.5
116.06244	5.7
117.07024	67.9
118.06543	3.1
118.07338	4.5
120.80889	1.8
121.96636	34.3
128.06256	8.8
129.07039	15.2
130.07802	53.5
131.08110	4.5
143.08560	10.0
144.98170	2.0
145.06512	4.3
145.07585	3.1
145.10126	100.0
146.06010	8.4
146.08105	3.2
146.10455	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.03933	0.6
53.59974	0.5
63.04388	0.5
65.03941	2.1
70.31599	1.2
70.31971	0.9
72.08158	3.5
73.51143	0.5
82.90477	0.6
84.04516	0.9
84.08172	0.8
90.04263	0.7
90.52870	0.5
91.05480	38.5
92.05825	1.6
103.05453	0.8
117.05766	5.8
118.06547	100.0
119.04947	9.1
119.06129	1.1
119.06880	6.2
128.04977	12.2
144.68613	0.6
146.06012	27.9
147.04459	3.2
147.05434	1.0
147.06482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03942	0.6
55.01883	0.8
55.05517	3.4
65.03943	10.9
67.01881	0.6
67.05502	1.0
69.07066	2.8
70.61179	0.5
70.61516	1.1
70.87471	0.4
79.05493	3.4
81.07060	0.6
86.73000	0.5
89.32442	0.6
91.05481	100.0
92.05805	3.6
93.07059	1.0
95.04962	0.7
103.05450	3.4
104.06258	1.0
105.03439	0.7
105.04491	0.6
105.07033	21.0
106.07339	0.9
107.04925	2.4
107.08600	1.7
115.05450	1.2
116.06166	0.8
117.07016	5.4
119.04945	57.2
119.08578	32.2
120.05273	2.3
120.08907	1.2
128.06206	0.9
129.07011	1.6
130.07829	0.5
131.08556	0.9
132.05701	1.8
132.09348	1.4
145.10088	2.0
146.91776	0.5
147.04410	45.5
147.08044	7.3
147.09114	0.6
147.11684	14.0
148.04761	1.9
148.07495	0.6
148.11954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00555	0.5
50.01604	0.5
51.02380	0.6
53.03949	0.6
55.01876	0.6
55.05513	1.0
59.09682	0.5
63.02351	0.7
65.03944	16.0
77.03962	1.2
79.01866	0.7
79.05485	1.1
81.86894	0.5
85.80192	0.5
90.47541	0.4
91.05482	91.8
92.05834	3.2
97.02187	0.5
98.23359	1.0
100.58794	0.5
102.04707	0.7
103.05460	1.0
103.66811	0.5
105.03381	1.3
105.07031	7.0
107.04971	1.5
107.08578	0.9
114.95847	0.5
115.05459	0.9
117.04402	0.5
117.07018	3.1
119.04948	29.8
119.08583	14.1
120.05283	1.5
128.06213	0.9
129.06985	0.7
132.05692	1.9
138.59164	0.7
145.10110	1.0
147.04410	100.0
147.08060	5.4
147.09108	0.8
147.11665	4.4
148.04742	4.8
169.09868	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03944	1.1
55.05514	3.1
65.03945	16.1
69.07078	2.1
69.10812	4.8
71.42958	0.6
77.03967	0.9
79.01833	0.9
79.05505	2.9
89.03939	1.0
91.05482	85.0
92.05833	3.0
93.07063	1.4
102.04656	0.8
103.05453	3.0
104.06276	0.6
105.07034	21.8
107.04951	1.9
107.08580	3.1
116.06271	1.5
117.07017	7.9
119.04944	22.9
119.08581	36.6
120.05249	0.8
120.08913	1.7
128.06215	1.1
129.07021	1.6
130.07779	1.1
131.08575	1.2
132.05704	1.9
132.09338	2.9
133.05206	0.8
145.10143	3.5
147.04410	100.0
147.08064	5.6
147.11682	15.3
148.04745	5.9
148.07504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03949	0.5
55.05505	0.8
65.03943	10.8
69.05439	2.8
69.07045	0.4
79.05511	0.7
91.05483	100.0
92.05823	3.6
95.04976	0.6
102.04737	0.4
103.05460	1.6
105.04527	0.4
105.07043	4.6
107.08601	0.5
115.05443	0.4
117.07013	1.4
119.04947	75.6
119.08578	5.9
120.05261	3.3
132.05663	0.4
132.09377	0.4
145.10133	0.7
147.04417	27.8
147.05434	1.2
147.08060	1.7
147.09122	0.7
147.11679	2.9
148.04787	1.8
148.07640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03953	0.7
63.38266	0.4
64.38110	0.4
65.03944	12.1
66.04272	0.4
70.67590	0.4
71.30484	0.4
79.05480	0.6
84.04501	0.9
91.05484	100.0
92.05809	5.7
95.05018	0.6
101.04972	0.4
102.04676	0.5
103.05479	0.9
105.07032	3.5
116.60194	0.4
117.07033	1.3
119.04948	77.6
119.08577	4.6
120.04456	0.9
120.05254	4.6
120.08096	0.6
129.04515	0.7
130.04161	0.7
132.05771	0.5
133.68193	0.4
147.04420	34.5
147.05479	1.6
147.08081	2.1
147.09090	0.8
147.11725	1.3
148.04796	2.0
148.07622	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	2.6
55.01872	1.0
55.05514	3.8
60.33753	0.6
65.03941	9.9
67.05505	1.6
69.03432	0.6
69.07066	1.0
69.11213	4.7
79.05500	5.4
81.03426	1.3
81.07074	0.8
85.06543	0.7
88.24121	0.6
91.05483	100.0
92.05823	5.0
93.07071	1.3
95.04971	2.0
98.23373	1.1
103.05455	3.4
104.06249	1.2
105.04547	0.7
105.07033	34.8
106.07375	0.8
107.04949	3.5
107.08609	1.3
110.83144	0.6
115.05455	1.1
117.07029	7.5
118.07845	0.6
119.04948	56.3
119.08585	39.3
120.05283	3.0
120.08853	1.2
121.73840	0.6
128.06239	2.6
129.06992	3.6
131.04939	1.2
131.08568	0.8
132.05714	5.4
132.09338	1.2
133.06055	0.7
145.06459	0.8
145.10143	2.0
147.04419	19.2
147.06369	1.7
147.08060	11.5
147.11691	15.2
148.04736	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.94777	0.4
55.01858	0.8
55.05507	3.7
55.21836	0.5
65.03945	10.3
67.05495	1.1
69.03425	0.6
70.34954	1.1
70.35333	0.7
73.08505	0.7
79.05486	3.4
81.03402	0.9
81.07034	0.5
84.04485	0.9
85.06537	0.7
91.05481	100.0
92.05809	3.9
93.07047	1.2
95.04954	1.9
103.05479	3.2
104.06254	1.4
105.04514	0.8
105.07033	24.9
106.07345	1.0
107.04960	3.8
107.08585	1.3
115.05441	0.6
117.07021	6.2
119.04946	64.1
119.08582	29.3
120.05281	4.0
120.08923	1.5
128.06250	2.9
129.07039	3.5
130.06560	0.5
131.04901	0.8
132.05728	4.5
132.09322	0.6
145.06509	0.9
145.10104	1.5
147.04413	20.1
147.06261	0.9
147.06793	0.7
147.08054	11.5
147.09210	1.2
147.11687	10.4
148.04793	0.9
148.07561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03942	2.8
55.05513	10.2
59.20683	1.0
59.92836	0.9
65.03941	2.4
67.05512	2.8
69.07068	3.6
69.07471	3.5
69.07904	6.3
69.18148	1.0
75.75861	1.0
79.05506	9.1
81.07066	3.0
91.05487	39.5
92.05843	1.9
93.07052	4.3
95.05009	1.3
103.05475	5.7
105.07034	84.0
106.07363	5.7
107.08598	4.9
115.05460	1.7
116.06269	1.6
117.07025	18.8
119.04951	3.8
119.08585	100.0
120.08152	1.4
120.08909	7.4
123.96488	1.5
129.06978	2.0
131.08560	1.5
132.09340	5.8
145.10094	6.1
147.04399	3.2
147.05522	3.3
147.08032	3.0
147.09207	2.8
147.11694	47.1
148.07573	5.7
148.12038	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	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.02366	0.9
53.03937	2.9
55.05516	10.9
64.99922	0.9
65.03950	5.4
67.05501	2.5
68.10595	0.8
69.07066	2.4
71.11047	2.0
71.42220	0.8
78.88597	0.8
79.05497	9.1
89.03893	1.1
91.05483	71.5
92.05807	3.2
93.07030	3.5
95.04939	2.0
103.05458	3.7
104.06217	1.7
105.07032	70.4
106.07359	3.2
107.04959	1.0
107.08591	11.1
115.05454	2.3
116.06271	1.9
117.07022	21.5
119.04947	20.2
119.08580	100.0
120.05262	1.4
120.08894	5.9
129.07011	2.9
130.07753	1.0
131.08569	1.9
132.09366	8.3
135.10876	1.3
145.10132	8.2
147.04425	11.5
147.08069	5.3
147.09161	1.9
147.11690	49.1
148.11958	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03938	1.8
55.05515	11.7
67.05492	3.1
69.03618	9.8
69.07059	1.6
77.04002	1.0
79.05502	8.1
81.07059	3.3
91.05484	36.6
92.05780	1.6
93.07047	4.5
93.65546	1.0
103.05452	3.9
105.07032	100.0
106.06760	1.0
106.07312	5.8
107.08604	5.6
115.05459	1.7
116.06266	1.6
117.07020	15.2
119.04974	1.7
119.08585	92.9
120.08901	4.7
122.37811	0.9
130.07748	1.0
131.08548	2.2
132.09378	5.6
145.10130	7.7
147.08115	1.2
147.11687	52.6
148.12025	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51921	0.7
53.03966	0.9
55.01883	0.8
55.05514	5.0
65.03947	12.0
66.04281	0.6
67.05513	1.2
69.07071	1.4
70.87065	1.3
71.45193	0.5
78.48576	0.5
79.05502	4.3
81.07058	0.9
85.52210	0.6
91.05484	100.0
92.05816	4.9
93.07044	2.2
95.04967	1.4
102.04678	1.1
103.05461	2.8
104.06258	1.1
105.03394	0.5
105.07034	35.0
106.06599	0.6
106.07359	1.8
107.04963	1.3
107.08590	4.2
115.05470	1.5
116.06232	2.1
117.07043	10.2
118.07816	0.9
119.04948	65.7
119.08582	56.6
120.05266	4.6
120.08883	3.6
121.10059	0.7
128.06209	1.2
129.06996	3.9
130.04140	0.9
130.06541	3.3
130.07910	1.0
131.08607	1.2
132.05641	0.7
132.09378	4.7
145.10130	5.9
147.04414	25.8
147.08055	5.2
147.11688	24.5
148.04800	1.7
148.07547	1.3
148.12042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57282	0.7
53.03937	2.3
55.05270	1.0
55.05513	10.8
61.85260	0.7
63.62936	0.7
65.03938	9.3
67.05495	1.9
69.07072	5.1
70.67963	2.0
79.05496	8.4
80.28123	0.7
81.07052	1.5
91.05484	89.9
92.05807	4.3
93.07042	3.2
95.04957	1.9
103.05463	5.5
104.06245	2.4
105.03383	1.2
105.07034	63.7
106.07375	2.7
107.04971	2.8
107.08604	8.9
115.05470	3.5
116.06219	3.4
117.07022	18.1
119.04951	30.7
119.08584	100.0
120.05302	0.9
120.08922	7.9
128.06235	2.0
129.07027	4.1
130.07779	2.0
131.08562	2.7
132.05713	3.2
132.09370	6.3
143.53282	0.8
145.10144	9.2
147.04419	25.3
147.05450	1.0
147.08087	9.6
147.09201	1.8
147.11687	45.1
148.04796	2.2
148.07507	0.9
148.12027	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03935	1.3
55.01862	0.7
55.05513	6.1
61.56709	0.5
65.03947	1.3
67.05508	1.6
69.07066	1.4
71.16191	1.1
77.03902	0.8
78.29010	0.5
79.05497	6.5
81.07037	0.8
81.96524	0.5
91.05483	37.8
92.05824	1.9
93.07043	2.8
95.04966	1.3
98.31400	0.6
99.77637	0.7
103.05456	3.4
104.06267	1.6
105.07031	49.6
106.07372	2.5
107.04968	1.6
107.08595	11.0
109.06477	0.6
115.05468	1.6
116.06234	1.7
117.07022	14.3
118.07326	1.1
119.04929	3.2
119.08580	100.0
120.08909	6.0
128.06285	0.7
129.07022	2.3
130.07791	0.8
131.08568	2.2
132.05725	1.4
132.09355	6.7
144.40971	0.5
145.10135	7.1
146.10452	0.5
147.04468	2.2
147.08063	6.0
147.11690	39.0
148.12033	3.1
153.75359	0.6
157.62427	0.5
165.45343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05511	9.0
65.03938	2.0
67.05511	3.7
69.07055	2.6
70.84190	1.6
74.32430	0.6
77.03923	0.9
78.12028	0.6
79.03909	0.6
79.05497	8.9
81.07048	2.4
81.29575	0.7
91.05485	40.2
92.05811	1.9
92.90775	0.8
93.07053	3.2
95.04980	1.5
103.05469	5.1
104.06261	0.7
105.07034	87.5
106.07328	4.2
107.08577	5.4
115.05456	1.4
116.06258	2.0
117.07023	17.0
119.04952	4.1
119.08585	100.0
120.08920	6.9
129.06970	0.8
130.07774	0.8
131.08565	2.1
132.09369	5.6
145.10114	8.5
147.04430	2.7
147.05511	1.5
147.08041	2.1
147.11694	53.4
148.07568	2.0
148.12022	4.8
153.03706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91375	0.3
53.03946	2.0
55.01860	0.8
62.56247	0.3
65.03610	0.6
65.03944	10.2
69.26567	0.3
69.30898	1.9
71.30602	0.3
77.03936	1.0
78.04694	0.8
79.05495	1.0
79.27247	0.3
81.03410	0.4
89.03921	2.3
91.05482	4.3
93.03419	2.3
93.07030	1.4
95.04960	2.1
98.03670	0.4
98.22686	0.6
102.04701	0.4
103.05471	100.0
104.05804	4.8
105.04499	1.2
105.07041	0.7
106.04183	1.0
107.04957	1.2
107.08589	0.7
111.04447	1.8
117.03366	0.9
119.30793	0.3
121.02874	10.8
121.03987	4.4
121.06503	4.5
121.10140	0.4
123.13712	0.3
126.30707	0.3
131.04932	55.3
132.05251	3.7
134.03639	1.2
135.04419	0.9
149.02351	17.1
149.05989	15.4
149.07198	0.6
149.09674	0.5
150.02711	1.1
150.06372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03949	2.3
53.47161	0.3
55.01865	0.9
65.03941	11.8
71.25701	0.5
75.92605	0.3
77.03936	0.8
78.04697	1.1
79.05489	1.2
79.79389	0.4
89.03915	3.3
91.05488	4.7
92.05788	0.5
93.03406	2.5
93.06177	0.3
93.07034	1.4
95.04967	2.1
102.04695	1.0
102.62531	0.3
103.05470	100.0
104.05804	6.3
105.04502	0.9
105.07024	0.7
106.04158	1.2
107.04948	1.3
107.08591	0.6
111.04454	1.7
117.03370	1.1
121.02863	12.0
121.03976	3.7
121.06499	5.4
121.10110	0.5
122.03264	0.5
131.04929	56.3
132.05251	3.3
134.03630	1.1
135.04388	0.8
144.62505	0.3
149.02345	20.1
149.05981	15.7
149.09607	1.0
150.02702	1.1
150.06348	0.8
150.66284	0.3
154.47766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02357	1.4
53.03942	5.7
54.10098	1.2
55.01879	14.8
55.05510	3.3
60.52943	1.1
65.03944	55.0
66.04259	1.3
66.66487	1.1
67.01859	1.4
67.05504	3.8
69.03433	2.6
69.07066	2.2
69.43419	5.3
69.43826	2.7
77.03912	1.5
79.05496	35.1
80.02621	1.3
81.03416	1.4
81.07043	4.0
82.15607	1.3
83.04983	1.2
89.03918	4.7
91.05485	34.9
92.05804	2.8
93.03403	10.5
93.07051	38.3
95.04971	8.0
98.03687	2.4
98.22679	2.1
102.04733	1.1
103.05476	64.6
104.05859	2.4
105.04509	3.5
105.07029	36.1
106.04138	2.2
107.04961	16.8
107.07863	1.6
107.08595	30.2
109.02862	1.2
109.06544	2.5
111.04471	8.0
115.05479	1.2
116.06284	2.6
117.03349	1.4
119.06039	1.3
119.08576	3.4
121.02870	61.5
121.03983	20.7
121.05581	1.8
121.06486	16.3
121.10129	13.4
122.00365	1.1
122.03222	2.9
129.07022	3.3
131.04932	47.4
131.08572	14.6
132.05234	1.8
133.06517	1.8
134.07239	2.3
149.02348	100.0
149.05994	15.6
149.07085	2.3
149.09631	35.6
149.10834	1.8
149.13248	3.0
150.02687	5.5
162.09467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.50356	1.1
53.03948	5.6
55.01878	6.8
55.05499	1.3
57.17139	1.1
60.88785	1.1
65.03940	62.5
66.04240	1.5
67.05503	1.5
69.03421	3.4
71.31667	1.8
76.44751	1.2
77.03931	2.9
78.04720	2.8
79.05058	1.8
79.05491	21.7
81.07036	1.2
89.03914	4.6
91.05482	64.2
92.05818	2.1
93.03410	13.3
93.07049	28.5
94.07388	1.1
95.04963	4.9
98.03675	3.0
103.05470	42.9
104.05829	1.5
105.04501	1.3
105.07032	36.4
106.07812	3.5
107.04916	3.4
107.08585	4.9
109.06506	4.6
111.04447	10.2
115.05468	8.9
116.06242	26.3
119.04951	1.4
119.08562	6.4
121.02862	57.9
121.03977	21.6
121.06507	24.2
121.10145	24.5
122.03188	3.0
122.06844	1.4
122.10511	1.8
123.08067	4.1
128.06310	1.2
128.07344	1.3
129.06984	6.8
131.04933	20.1
131.08560	21.8
132.08923	1.9
133.07619	2.3
134.07288	3.9
135.90202	1.2
147.08058	2.1
149.02336	100.0
149.05992	8.6
149.07011	2.1
149.09628	50.3
150.02699	7.0
150.09985	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03944	3.9
55.01862	3.3
55.05502	2.4
58.16935	0.8
65.03941	58.9
66.04266	2.2
67.05506	1.2
69.03431	7.0
69.07037	1.0
71.30877	1.2
77.03905	1.1
78.04722	1.8
79.05492	16.2
80.02620	1.2
81.03431	0.8
81.07043	3.3
89.03894	1.4
91.05481	23.1
92.05805	0.8
93.03406	13.8
93.07045	27.8
94.07376	0.8
95.04970	4.7
95.08659	0.9
98.03671	2.4
103.05466	9.7
105.04489	1.3
105.07034	17.9
106.04179	1.9
106.07803	3.0
107.04954	14.7
107.08588	9.0
111.04448	9.6
115.05502	0.9
116.06236	3.3
119.08587	4.4
121.02863	58.2
121.03976	22.2
121.04818	1.6
121.06487	9.3
121.10141	17.4
122.03203	3.1
123.08036	1.5
131.04947	4.4
131.08559	3.7
133.07645	1.7
134.03680	1.3
134.07266	0.9
149.02342	100.0
149.05983	3.6
149.09619	50.5
149.10835	1.8
149.13263	1.8
150.02707	7.0
150.09959	2.8
159.16125	0.8
167.03430	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.01403	1.5
53.03949	10.4
53.82289	1.9
55.01888	3.5
55.05506	6.1
57.03446	2.0
65.03944	50.3
67.05506	3.6
69.03425	4.5
69.07055	7.0
69.21885	10.8
77.03943	1.9
79.05065	2.6
79.05497	40.1
81.07053	13.1
91.05485	55.1
92.05838	2.8
93.03420	11.1
93.07048	76.9
93.91132	1.6
94.07351	2.1
95.04982	10.3
95.08634	2.2
100.88625	1.7
103.05481	15.2
105.04517	4.5
105.07037	41.4
106.07853	3.3
107.04959	30.4
107.08601	31.1
108.08937	2.3
109.06511	3.9
111.04440	7.3
115.05452	2.2
116.06245	7.4
119.06139	2.0
119.08605	9.0
121.02869	52.8
121.03987	15.1
121.06510	18.8
121.10143	42.7
123.08054	4.2
129.07048	2.8
131.08577	13.5
133.06438	1.6
133.07570	2.4
134.07314	2.9
149.02353	89.9
149.05995	6.8
149.09627	100.0
149.13286	9.1
150.02664	5.8
150.09953	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03944	4.7
53.90351	1.2
55.01866	3.0
55.05515	6.0
56.87363	1.3
57.07072	2.6
65.03942	53.7
66.04291	2.6
67.05498	2.3
69.07077	9.0
70.02496	2.1
70.02898	3.1
74.17567	1.2
77.03951	1.9
79.05498	19.1
81.03406	1.4
81.07047	6.7
87.74543	1.3
89.03920	1.4
89.58559	1.2
91.05486	28.8
93.03407	11.9
93.07047	34.9
95.04967	4.7
95.08606	2.5
98.03667	2.7
103.05472	5.4
105.04491	2.2
105.07030	43.7
106.04200	1.6
107.04962	1.3
107.08596	51.6
108.08897	3.0
109.06543	3.7
111.04427	6.9
116.06260	2.6
116.81923	1.2
119.06084	2.0
119.08576	11.1
121.02866	54.0
121.03983	18.2
121.06509	4.7
121.10144	84.6
122.03181	2.8
122.10468	4.1
123.08071	4.3
129.07051	1.6
131.08549	3.6
133.07605	4.1
133.10155	4.8
134.07263	1.6
134.10931	3.9
149.02347	100.0
149.05989	2.7
149.07050	1.8
149.09622	12.1
149.13257	18.8
150.02718	6.4
150.05469	1.4
150.10010	1.4
150.13577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.78240	1.6
53.03934	6.6
54.59385	1.7
55.05523	10.8
65.03947	36.7
66.04282	1.7
67.05179	2.3
67.05507	31.5
69.07075	26.9
69.80196	7.4
75.41416	1.7
79.05499	64.7
79.35397	1.5
80.05806	1.8
81.07062	93.7
82.07401	2.8
83.08598	3.2
89.99282	1.5
91.05489	24.7
93.03416	7.3
93.07050	100.0
94.07379	6.7
95.04961	4.9
95.08624	19.2
105.07059	8.4
107.08602	82.6
108.08898	3.2
111.04527	3.6
121.02867	34.0
121.03984	11.0
121.10159	26.0
122.10475	2.5
147.11617	1.8
149.02356	63.0
149.09695	4.1
149.13264	46.9
150.02646	2.9
150.13599	4.8
168.46858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02392	1.8
53.00332	1.5
53.03956	8.3
53.17691	1.7
55.05507	12.7
65.03947	23.6
67.05505	35.9
68.01459	1.4
68.52522	1.5
69.07065	22.2
70.87049	4.2
77.03932	2.8
79.05493	74.9
79.26139	1.4
80.05831	2.7
81.03396	2.3
81.07057	100.0
82.07397	3.0
83.08621	6.3
91.05484	30.7
92.06281	2.2
93.03416	3.6
93.07044	95.4
94.07388	5.3
95.04974	6.6
95.08611	18.6
105.04503	3.7
105.07031	12.9
107.04951	37.3
107.08597	78.3
108.05269	2.0
111.04458	1.7
119.04938	2.5
119.06081	2.2
120.05730	6.3
121.02874	27.7
121.03997	6.7
121.06511	2.7
121.10139	20.5
149.02339	36.5
149.09636	16.0
149.13252	47.7
150.02617	2.5
150.13644	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03933	6.7
53.30426	1.6
55.01864	7.1
55.05511	14.4
57.07069	5.1
65.03613	2.6
65.03942	41.9
66.04288	1.8
67.05495	5.8
67.22511	2.1
67.41174	1.7
68.26103	1.7
69.03424	5.2
69.07062	19.1
71.10263	3.6
77.03909	2.5
79.05061	3.2
79.05496	46.6
79.05953	2.4
80.05817	1.9
81.07065	15.3
91.05480	63.5
92.05801	2.5
93.03397	13.2
93.07041	87.0
94.07360	5.4
95.04967	10.3
95.08598	2.3
103.05458	8.0
105.04494	4.6
105.07029	52.5
106.04152	3.0
107.04932	4.3
107.08595	100.0
108.08930	5.6
109.06525	6.7
111.04425	7.4
111.75677	1.6
114.15333	1.7
115.05453	1.9
116.06228	4.3
119.06105	3.6
119.08573	19.1
121.02862	46.7
121.03961	14.3
121.06511	15.3
121.10139	83.6
122.03224	3.4
122.10497	5.1
123.08044	5.3
131.04991	2.7
131.08604	9.4
133.07623	4.5
133.10130	5.4
134.10922	8.5
149.02344	90.9
149.05966	5.6
149.09613	28.9
149.13251	29.2
150.02693	5.7
150.10030	2.6
150.13603	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	150.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79408	0.6
53.03947	0.9
56.05037	100.0
57.03442	0.9
57.05370	1.3
58.06263	0.6
60.04530	4.9
61.01152	65.6
62.01487	0.8
62.14073	0.6
62.25996	0.6
65.03938	1.6
66.04278	2.1
67.05518	1.1
69.03432	1.8
69.81170	2.6
72.04507	0.8
74.02447	8.4
74.06077	7.0
75.02733	0.8
76.00249	1.5
77.00667	0.7
81.07066	0.6
81.61934	0.7
84.04518	4.6
85.02912	3.0
87.02691	14.2
91.41634	0.6
94.06568	2.0
95.04942	1.0
96.04507	0.7
102.04858	0.8
102.05542	16.8
104.05328	48.0
105.00143	0.9
105.03739	1.2
105.07022	3.1
121.02841	0.8
122.03247	3.4
122.04363	1.3
122.06050	1.5
123.04452	0.8
132.06538	3.4
133.03191	30.4
145.03514	0.7
150.02673	10.8
150.05643	3.4
150.07899	0.8
150.09172	1.9
151.03955	1.3
151.08809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0584
Annotation	L-Methionine
Peak:m/z	Relative Intensity
52.28488	0.6
56.05037	100.0
57.03426	1.1
57.05373	1.8
59.57119	0.6
60.04535	5.0
61.01154	72.0
62.01487	1.1
65.03938	1.5
66.04288	1.5
67.05516	0.7
69.03442	0.8
69.98594	2.6
74.02435	7.1
74.06078	7.0
74.99088	0.7
75.02698	0.8
76.00253	1.1
80.34434	0.6
84.04507	3.4
85.02490	0.7
85.02897	3.8
87.02695	15.3
87.03191	1.1
94.06578	1.5
95.04987	0.8
96.04469	1.0
102.05542	17.4
102.06163	1.2
103.67924	0.9
104.05331	51.2
105.00093	1.8
105.03742	1.4
105.05677	0.9
105.07015	4.3
107.41107	0.6
122.00747	1.3
122.03225	4.2
122.06054	1.8
123.04453	1.0
132.06587	1.9
133.03189	31.5
134.03539	1.0
135.63458	0.7
146.97835	0.8
150.02715	9.8
150.03851	1.3
150.05659	4.3
150.07661	1.6
150.09091	1.2
151.03944	1.3
154.49268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	7782-26-5
Peak:m/z	Relative Intensity
53.03943	4.3
54.71448	0.5
55.01876	5.1
55.05520	1.6
57.02036	0.6
57.03441	0.9
57.07084	1.0
61.10011	0.5
65.03937	2.4
66.28964	0.6
67.05516	4.9
67.53167	0.5
69.03432	84.1
69.07069	0.7
70.03776	1.7
70.09086	0.6
70.09451	2.4
77.03925	1.0
79.05493	32.8
80.05826	1.1
81.03418	7.8
81.07056	6.0
91.05473	3.8
93.03383	0.6
93.07058	1.9
94.75319	0.6
95.04983	7.0
95.08610	11.4
98.26494	0.6
102.33102	0.6
103.05467	19.4
104.05798	0.7
105.04507	2.6
105.07030	100.0
106.07375	3.8
107.04945	0.9
107.08609	0.9
108.05711	0.7
109.02885	17.2
109.06519	8.9
109.10155	4.9
115.05437	1.9
119.04978	0.9
123.08057	2.3
123.11707	1.1
133.06491	17.4
133.10130	0.8
140.70529	0.6
151.02782	1.4
151.03932	1.5
151.05031	1.1
151.07553	19.4
151.08649	1.4
151.11186	2.2
151.14807	0.8
152.07062	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	0.5
55.05513	1.8
65.03942	5.1
67.05504	1.8
69.03451	0.4
69.23135	0.4
70.56528	1.2
79.05505	2.2
80.06260	1.4
80.32080	0.5
81.07067	1.5
91.05482	100.0
92.05814	3.2
93.07027	1.1
95.04973	9.0
95.08638	1.1
103.05479	0.7
105.07024	2.4
106.06633	0.5
106.07379	0.4
107.04955	1.1
107.08593	1.1
108.00064	0.4
108.02100	1.0
108.05770	2.3
109.06519	1.3
109.10181	0.7
112.38376	0.5
119.04948	46.8
119.33911	0.4
120.05285	1.5
123.04436	1.2
123.08062	1.7
124.03954	0.9
129.13609	0.4
133.02821	0.5
133.10147	0.5
136.05203	9.7
137.06003	3.7
151.02782	0.7
151.03891	2.4
151.04965	0.9
151.07542	34.9
151.11131	1.0
152.07965	1.0
158.84554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02379	1.4
53.03950	7.4
55.01878	9.6
55.05512	37.0
57.03436	1.5
57.07072	1.9
59.04997	1.2
63.02356	1.3
65.03944	13.0
67.05507	34.9
69.03432	24.5
70.97208	1.2
70.97533	1.8
71.04979	1.2
77.03934	1.9
79.05057	2.3
79.05489	23.3
80.77951	1.4
81.03407	5.8
81.07056	25.9
83.04982	45.6
83.08622	3.1
84.05315	2.0
85.02899	3.9
91.05477	33.7
92.05805	2.5
93.07048	11.7
95.04955	14.1
95.08609	34.8
96.08926	1.5
97.06500	1.4
103.05428	6.6
105.07030	41.0
106.07347	1.3
107.04961	2.9
107.08604	9.2
108.02102	8.3
108.05718	5.4
109.02882	8.2
109.05781	2.7
109.06519	44.1
109.10138	7.2
110.06815	1.7
111.04452	10.2
119.04926	8.5
123.04420	5.6
123.08070	40.1
123.11705	5.2
133.06493	38.6
133.10136	5.8
134.06857	1.4
136.01465	1.3
136.05180	2.0
141.05458	3.7
151.02708	2.5
151.03906	32.0
151.05031	12.5
151.07542	100.0
151.11189	17.3
152.04404	1.3
152.06166	3.2
152.07961	3.5
169.08643	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
53.03952	5.8
55.01871	5.9
57.03429	0.9
57.07058	1.3
63.96427	0.6
65.03934	1.4
67.05508	7.0
69.03433	80.4
69.06595	4.9
69.06999	1.4
70.03749	1.5
77.03925	2.0
79.05499	32.4
80.05832	1.3
81.03416	7.8
81.07065	5.5
83.01293	0.7
91.05479	4.7
93.07051	1.8
95.04951	6.9
95.08607	12.0
98.23396	1.1
103.05476	18.5
105.07035	100.0
106.06654	0.8
106.07354	3.7
107.08604	0.8
107.77367	0.8
109.02886	16.2
109.06524	8.8
109.09524	0.7
109.10166	4.5
115.05460	2.3
121.02891	1.0
123.08078	2.8
131.04982	1.0
133.06508	18.4
151.02838	2.3
151.03987	1.3
151.05064	1.4
151.07549	18.7
151.08682	1.7
151.11223	3.0
151.14857	1.2
152.07024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
51.02370	0.6
53.03950	1.9
55.01874	1.7
55.05514	8.3
57.03442	0.8
64.59410	0.5
65.03945	6.9
67.05136	0.5
67.05505	9.7
67.08921	0.5
69.03422	1.7
69.07068	0.9
69.27174	3.2
71.04991	0.8
79.05499	6.4
80.06255	1.0
81.03427	1.3
81.07064	11.0
83.04963	0.5
84.95716	0.4
91.05485	100.0
92.05815	2.8
93.07051	6.2
95.04967	12.6
95.05554	0.8
95.08617	4.2
96.08141	0.5
97.06533	0.9
103.05451	1.4
105.04548	0.8
105.07032	8.1
107.04963	1.1
107.08587	4.6
108.02106	1.6
108.05751	2.0
109.06530	5.3
109.10150	4.5
119.04948	47.5
120.05281	2.0
121.69019	0.4
123.04434	1.4
123.08080	4.5
123.11703	2.4
124.07566	0.6
133.06514	1.2
133.07542	0.6
133.10144	2.7
136.05211	10.0
137.05992	3.8
141.05431	1.1
151.03912	7.1
151.05026	3.3
151.07549	41.3
151.11177	9.0
151.12302	0.8
152.04297	0.6
152.06981	1.2
152.08051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13800	1.0
51.02361	1.1
53.03955	6.0
55.01868	3.8
55.05501	10.2
57.03428	3.7
57.07073	4.1
58.70442	1.0
59.04993	1.2
64.44878	1.0
65.03941	8.4
67.05506	35.1
68.05798	1.2
69.03432	15.0
69.07063	6.4
69.50372	3.7
69.50784	3.1
71.04999	10.1
79.05493	29.2
80.05843	1.0
81.03418	7.8
81.07057	100.0
82.07379	3.0
83.04982	3.5
83.08609	1.3
85.06549	2.4
91.05482	35.6
92.05819	2.0
93.07047	32.4
94.07355	1.3
95.01311	1.8
95.04974	22.6
95.08604	28.2
96.05770	1.3
103.05470	1.7
105.04533	1.6
105.07032	43.8
106.07344	2.7
107.04990	3.0
107.08589	27.3
108.02098	3.0
108.05740	3.0
108.08918	2.2
109.02890	2.3
109.06517	36.1
109.10159	27.9
111.04429	1.8
117.07021	1.2
119.04927	4.1
119.06081	1.8
121.06484	1.8
121.10155	4.1
123.04418	3.1
123.08072	21.0
123.11698	18.6
131.08598	1.6
133.06493	3.7
133.10136	18.9
136.05231	2.0
136.08829	3.3
141.05444	1.5
151.02800	2.0
151.03915	20.1
151.05046	8.6
151.06340	1.9
151.07559	20.9
151.08647	1.7
151.11188	79.5
152.07091	1.9
152.11511	3.9
162.73036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
50.13800	1.0
51.02361	1.1
53.03955	6.0
55.01868	3.8
55.05501	10.2
57.03428	3.7
57.07073	4.1
58.70442	1.0
59.04993	1.2
64.44878	1.0
65.03941	8.4
67.05506	35.1
68.05798	1.2
69.03432	15.0
69.07063	6.4
69.50372	3.7
69.50784	3.1
71.04999	10.1
79.05493	29.2
80.05843	1.0
81.03418	7.8
81.07057	100.0
82.07379	3.0
83.04982	3.5
83.08609	1.3
85.06549	2.4
91.05482	35.6
92.05819	2.0
93.07047	32.4
94.07355	1.3
95.01311	1.8
95.04974	22.6
95.08604	28.2
96.05770	1.3
103.05470	1.7
105.04533	1.6
105.07032	43.8
106.07344	2.7
107.04990	3.0
107.08589	27.3
108.02098	3.0
108.05740	3.0
108.08918	2.2
109.02890	2.3
109.06517	36.1
109.10159	27.9
111.04429	1.8
117.07021	1.2
119.04927	4.1
119.06081	1.8
121.06484	1.8
121.10155	4.1
123.04418	3.1
123.08072	21.0
123.11698	18.6
131.08598	1.6
133.06493	3.7
133.10136	18.9
136.05231	2.0
136.08829	3.3
141.05444	1.5
151.02800	2.0
151.03915	20.1
151.05046	8.6
151.06340	1.9
151.07559	20.9
151.08647	1.7
151.11188	79.5
152.07091	1.9
152.11511	3.9
162.73036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03948	7.2
55.01862	1.0
55.05513	100.0
56.05842	2.6
57.03432	1.8
57.07058	2.6
58.03329	0.9
59.04997	3.2
65.03938	7.5
65.11559	1.0
67.05176	1.8
67.05505	23.6
69.03423	3.2
69.07049	3.4
70.04035	4.1
73.65340	1.1
79.05495	13.4
81.03423	1.5
81.07057	40.4
82.07365	1.2
83.04981	1.8
84.05331	1.0
84.93488	1.0
91.05479	84.8
92.05814	3.3
93.07033	7.2
95.04975	17.9
95.08607	8.9
97.06532	14.4
105.07028	14.1
106.07375	1.1
107.04960	2.0
107.08597	14.8
108.05745	1.9
109.06522	13.2
109.10159	22.0
113.67722	1.1
113.72263	1.0
119.04943	37.8
120.05275	1.2
121.06514	1.3
121.10131	1.7
123.04440	4.6
123.08089	7.5
123.11703	10.4
125.09649	1.6
131.08565	1.7
133.02859	2.0
133.06485	1.7
133.07603	1.3
133.10123	5.1
136.05199	5.8
137.05969	3.0
151.03928	5.4
151.05032	3.1
151.07544	30.6
151.08612	1.5
151.11182	23.1
152.07025	1.5
152.08055	1.5
152.11554	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.02383	1.9
53.03950	8.9
55.01865	9.0
55.05516	19.9
55.37354	1.4
57.03432	3.0
57.07072	4.0
59.04981	2.5
65.03939	11.6
67.05508	56.4
68.05841	1.8
68.99792	2.3
69.03429	18.1
69.07063	6.8
71.04998	11.3
71.30672	1.9
77.03931	2.6
79.05501	36.2
80.05864	2.0
81.03427	12.9
81.07059	100.0
82.07399	4.1
83.04974	4.2
90.66508	1.7
91.05488	56.5
92.05811	1.5
93.07052	42.6
95.01345	7.3
95.04975	43.6
95.08609	55.7
96.08163	1.8
96.08934	2.0
97.02902	1.3
97.06528	5.0
103.05459	2.9
103.80484	1.5
105.03398	4.1
105.04505	2.2
105.07039	52.7
106.06562	1.6
106.07333	1.4
107.04949	4.8
107.08603	22.8
108.02100	5.3
108.05735	6.3
109.02882	7.3
109.06526	40.1
109.10160	30.4
110.06026	1.7
110.10465	1.6
119.04953	16.2
121.06474	2.6
121.10136	2.5
123.04437	6.3
123.08083	27.3
123.11698	23.1
124.07562	2.9
127.03900	6.1
131.08635	1.9
133.06477	6.5
133.10144	19.2
134.05995	2.3
136.05211	4.0
141.05455	2.1
151.02805	3.5
151.03912	35.7
151.05045	12.0
151.07552	53.1
151.08630	4.4
151.11192	63.8
151.14763	3.1
152.06108	3.5
152.07074	4.9
152.08081	2.2
152.11534	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	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02991	0.9
56.96549	1.0
63.47721	0.3
67.77814	0.3
70.13499	0.6
70.13823	0.3
70.79189	0.3
77.08252	0.2
77.36584	0.3
80.02500	0.4
80.05016	0.3
82.04061	0.6
85.01415	0.4
93.49471	0.3
95.04948	0.3
103.02441	0.4
106.06545	0.4
107.03517	0.7
109.05147	2.0
110.03530	14.1
110.97550	0.9
115.02499	0.3
119.01860	0.5
124.03957	0.7
128.04561	4.8
128.98650	1.3
129.00323	0.4
129.04901	0.4
134.04596	1.1
134.06023	0.9
135.03024	24.9
136.01398	0.4
136.03365	0.4
144.89655	0.3
146.99632	0.7
147.01401	1.2
149.03647	0.3
149.53835	0.3
152.05676	100.0
153.04083	31.8
153.05099	0.7
153.05943	2.0
154.02496	0.7
154.04408	1.0
170.03008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0408
Annotation	Xanthine
Peak:m/z	Relative Intensity
51.38015	0.8
52.12302	0.6
53.03943	1.1
55.01863	0.8
55.03000	4.1
55.05499	1.5
56.96564	7.0
57.03439	0.8
58.77331	0.7
60.52987	0.7
65.03944	5.7
67.05502	2.1
68.96333	4.0
69.03431	3.9
69.07056	1.0
70.94260	2.9
70.95882	1.1
71.04988	1.0
71.30318	1.1
71.95254	2.0
73.31135	0.7
79.05504	4.2
80.05013	1.6
81.00902	1.9
81.07059	1.1
82.04067	2.3
82.47223	0.7
83.02457	0.8
83.04972	2.0
86.97386	0.9
91.05492	1.0
93.00908	0.8
93.03418	2.3
93.07044	1.7
94.06608	0.6
95.04971	9.1
95.06078	0.8
97.02895	1.9
97.06538	3.7
98.97571	2.5
101.00902	0.8
107.04980	3.9
107.06116	1.2
107.08591	2.2
108.01945	1.5
108.04464	1.3
108.08123	1.7
108.47375	0.8
109.06505	0.9
110.03534	51.4
110.06036	0.9
111.03209	2.0
111.04453	9.4
111.05584	1.5
111.08110	0.7
112.05045	1.1
116.98605	1.5
118.03515	1.1
119.01941	1.6
121.02897	0.9
125.02377	1.0
125.04293	0.8
125.06004	5.2
125.06989	1.1
125.07926	1.1
125.09638	0.8
126.05513	3.4
126.09177	1.2
128.04572	8.4
130.96312	3.2
131.00194	1.8
131.01875	5.1
134.99657	1.4
135.03023	1.4
135.04468	1.5
135.05484	0.9
135.08145	1.1
135.09180	1.2
136.01425	74.0
136.07619	1.9
138.03172	1.2
147.01482	1.0
148.01491	2.3
148.97354	7.4
149.01183	4.1
149.03001	1.3
153.01974	2.7
153.04092	100.0
153.09071	2.3
153.10260	2.0
154.02481	75.2
154.05161	6.6
154.08633	2.5
155.02824	2.1
167.02345	1.1
171.03140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
53.03949	0.1
55.01876	0.7
55.05513	1.0
57.03429	0.3
65.03941	5.8
67.05504	0.7
69.03423	0.2
69.07072	0.7
69.60684	0.5
71.01342	0.1
71.04980	0.4
79.05489	1.0
80.02625	0.2
81.07059	1.0
83.04984	1.7
91.05472	0.8
93.03402	2.2
93.07054	0.7
94.04237	0.2
95.04971	2.4
95.08598	0.5
97.06551	0.6
98.03661	0.3
102.12786	0.1
105.07009	0.2
107.04944	0.3
107.08598	1.3
108.08983	0.1
109.06513	0.9
109.10150	0.6
111.04462	1.6
111.08081	0.6
115.70116	0.1
121.02869	100.0
122.03196	3.5
125.09653	0.3
135.08072	0.7
136.64412	0.1
138.03120	0.2
139.03885	0.1
152.06247	0.4
153.05475	3.6
153.06958	0.8
153.09015	0.6
153.12756	0.8
154.08688	0.1
166.94911	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	153.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03942	0.6
55.01854	0.3
65.03939	1.2
67.05508	0.4
69.30865	1.6
70.94249	0.3
71.95285	0.5
75.02347	0.6
79.05482	0.7
79.35915	0.3
80.62044	0.2
81.07049	0.7
82.04224	0.3
83.05010	0.6
91.05468	0.6
93.07061	0.7
95.04964	1.5
97.06527	0.3
98.22556	0.3
103.05470	2.7
105.07074	0.2
107.08607	0.5
110.03650	0.5
111.04443	0.4
111.08096	0.3
117.07015	0.4
121.06540	0.4
125.05977	0.8
125.09652	0.3
126.04680	1.0
127.05445	7.7
145.06499	4.8
150.04649	1.4
151.05481	1.4
152.06216	100.0
153.07002	36.1
153.09052	1.0
154.05060	0.3
154.07768	5.4
155.04794	0.4
155.06041	7.0
156.06372	0.5
169.05124	0.6
169.06505	9.3
169.07959	0.4
170.06850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.07
Annotation	ACENAPHTHYLENE
Peak:m/z	Relative Intensity
51.02377	0.7
53.03942	0.6
55.01854	0.3
65.03939	1.2
67.05508	0.4
69.30865	1.6
70.94249	0.3
71.95285	0.5
75.02347	0.6
79.05482	0.7
79.35915	0.3
80.62044	0.2
81.07049	0.7
82.04224	0.3
83.05010	0.6
91.05468	0.6
93.07061	0.7
95.04964	1.5
97.06527	0.3
98.22556	0.3
103.05470	2.7
105.07074	0.2
107.08607	0.5
110.03650	0.5
111.04443	0.4
111.08096	0.3
117.07015	0.4
121.06540	0.4
125.05977	0.8
125.09652	0.3
126.04680	1.0
127.05445	7.7
145.06499	4.8
150.04649	1.4
151.05481	1.4
152.06216	100.0
153.07002	36.1
153.09052	1.0
154.05060	0.3
154.07768	5.4
155.04794	0.4
155.06041	7.0
156.06372	0.5
169.05124	0.6
169.06505	9.3
169.07959	0.4
170.06850	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.00309	1.4
53.03938	4.4
55.01635	2.1
55.01875	31.5
55.05511	53.9
57.03439	8.5
57.07072	2.4
59.05004	29.4
65.03939	9.6
65.63578	1.6
67.05508	21.1
68.99777	3.6
69.03087	1.5
69.03431	22.4
69.07070	17.6
69.34795	8.4
71.04984	6.1
73.06554	2.0
79.05497	53.6
79.05962	2.7
81.03402	2.3
81.07057	22.2
83.04984	86.1
83.08598	3.3
85.02880	2.4
85.06483	1.3
91.05482	43.2
92.06316	2.3
93.03391	4.2
93.07045	29.1
95.04359	2.0
95.04966	30.8
95.08606	18.2
96.04399	1.4
96.57224	1.3
97.02912	2.8
97.06542	14.8
98.23312	2.9
105.07034	23.3
106.04143	1.6
107.04952	12.5
107.08592	100.0
108.05721	1.9
108.08933	3.7
109.06520	17.7
109.10184	8.3
110.03654	2.4
111.04439	25.2
111.08074	27.1
115.05445	4.5
117.07018	10.3
119.06050	4.4
121.04008	1.6
121.06520	1.6
123.08082	15.2
124.08849	3.1
125.05951	4.1
125.09634	30.9
126.05499	4.0
126.09946	2.1
135.04364	1.5
135.08055	51.7
135.09079	3.3
135.11679	7.4
136.07497	1.7
138.03104	1.7
138.06712	1.4
148.97417	1.5
152.06201	1.8
153.01843	6.2
153.05461	7.1
153.06966	10.4
153.09097	29.7
153.10286	2.3
153.12746	16.8
154.04953	3.7
154.07616	2.2
154.08676	1.8
159.67615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03945	2.2
55.01880	3.6
55.05516	14.3
57.03430	3.7
59.04984	0.9
65.03940	5.4
67.05509	11.0
69.03431	3.3
69.07068	6.2
69.40592	1.8
69.40995	2.5
71.01338	0.7
71.04996	2.0
73.12499	0.6
79.05496	16.0
80.05824	1.1
81.03416	1.2
81.07059	13.9
83.04484	1.1
83.04982	21.1
83.05462	1.6
83.08625	2.3
85.04871	0.7
91.05485	12.2
91.29969	0.7
93.03376	0.8
93.07048	15.7
95.04973	100.0
95.08605	5.2
96.05315	4.2
96.05840	0.7
97.06533	6.9
105.07006	4.3
107.04964	1.9
107.07862	1.4
107.08595	26.3
108.04450	0.8
108.08949	0.9
109.02875	2.6
109.06524	17.0
109.10161	6.2
110.03644	2.1
111.04456	3.5
111.08086	12.5
115.05519	1.2
117.06983	1.4
119.06048	1.1
121.06544	0.9
125.02362	0.9
125.06038	1.9
125.09659	3.2
126.05531	2.6
135.04469	1.1
135.08069	15.1
135.11676	3.6
137.76280	0.7
138.06764	1.0
148.97313	0.8
152.06218	2.1
153.01833	1.3
153.05502	4.5
153.06975	8.4
153.09105	12.1
153.10272	1.5
153.12741	6.2
154.04999	1.9
154.07635	0.8
158.75810	0.7
174.77924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
52.48213	0.6
53.03946	1.8
55.01871	36.6
55.05511	14.2
55.85736	0.6
57.03436	7.7
57.88317	0.6
59.05001	32.2
65.03943	8.8
66.31759	0.6
67.05507	18.4
68.05821	0.9
68.99787	2.2
69.03426	17.7
69.07066	9.2
69.26795	1.2
69.27207	3.2
71.04974	2.3
79.05494	55.8
80.05851	1.4
81.03418	1.5
81.07057	11.0
83.04485	1.2
83.04982	23.4
83.08620	2.3
85.02910	1.5
91.05483	47.5
92.05820	1.7
92.06316	1.3
93.03395	2.7
93.07046	25.1
94.07356	0.9
95.04967	24.5
95.08608	5.8
96.05270	0.8
97.02908	2.0
97.06533	4.9
97.10159	1.1
103.05484	1.1
105.04515	1.3
105.07030	23.2
106.04172	1.2
106.07342	1.7
107.04958	10.8
107.08594	100.0
108.05747	1.5
108.08923	4.4
109.06522	17.8
109.10139	1.8
110.03657	0.8
111.04444	28.5
111.08077	18.8
112.04799	1.2
115.05453	8.1
117.07017	10.1
118.52850	0.7
119.06049	5.6
121.03934	1.0
121.06446	1.4
123.08061	15.7
124.08906	1.1
125.05997	1.3
125.09631	36.4
126.09980	1.7
129.03253	0.7
133.07626	1.6
135.08052	66.7
136.08400	2.9
152.06146	1.0
153.05615	1.3
153.06982	3.9
153.09102	30.2
153.12727	2.4
154.09573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	p-Mentha-1,8-dien-4-ol
Peak:m/z	Relative Intensity
53.03957	1.6
53.76487	0.8
55.01871	1.4
55.05511	11.6
57.03436	5.1
57.07072	2.3
59.04991	1.4
61.36749	0.9
65.03925	1.0
67.05509	29.7
69.03434	2.0
69.07073	49.2
69.35332	5.2
70.07402	0.8
70.95875	2.1
71.04985	2.2
71.95270	7.3
73.14404	0.9
79.05502	24.5
81.06579	1.9
81.07062	37.5
82.07389	1.5
83.04989	4.9
83.08623	5.1
85.06543	1.8
91.05467	5.2
93.07047	44.8
94.07344	2.2
95.04987	2.4
95.08048	1.2
95.08615	16.4
97.06538	16.8
98.06121	0.8
105.07028	1.3
107.08601	47.9
108.08910	1.2
109.10165	35.8
109.10918	1.7
110.10509	1.0
111.08113	5.6
125.05976	1.4
126.05513	2.2
126.06365	2.3
135.11702	100.0
136.04005	1.1
136.07587	1.1
136.12038	4.3
144.55307	1.0
148.97250	1.4
152.04863	0.9
153.05435	2.0
153.06519	2.7
153.07434	3.3
153.12750	78.5
154.05000	3.1
154.08603	2.8
154.09776	1.1
154.13139	4.9
154.15930	1.4
165.31577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03947	3.2
55.01869	6.2
55.05508	8.9
57.03440	3.7
57.07064	1.7
59.04996	8.0
64.20173	0.8
65.03941	5.4
66.40615	0.7
66.81485	0.7
67.05505	19.3
68.05835	0.8
68.96332	1.2
68.99791	0.9
69.03433	5.2
69.07069	13.4
70.94255	1.7
70.95864	1.3
71.01343	0.8
71.04987	3.6
71.31367	0.8
71.95258	1.6
75.04469	1.3
79.05493	22.2
81.07059	17.5
83.04985	12.3
83.08617	3.4
85.02914	1.3
85.06551	0.9
91.05483	18.1
93.03401	1.8
93.07044	64.1
94.07375	2.5
95.04979	11.8
95.08607	52.0
96.08980	1.2
97.06538	19.4
105.04511	1.3
105.07030	7.3
107.04971	3.5
107.08595	100.0
108.05755	0.9
108.08209	1.2
108.08900	5.4
109.06526	6.0
109.10152	18.9
109.24043	0.7
110.03674	5.3
110.10474	1.4
111.04448	9.0
111.08077	7.1
115.05454	1.5
117.07018	1.4
119.06072	2.0
121.02847	2.5
121.06483	3.5
123.08067	2.4
125.06004	2.9
125.09624	6.7
125.10247	0.6
126.05508	2.8
130.96301	1.4
135.08063	12.1
135.09093	1.0
135.11693	29.1
136.12019	2.0
138.03151	5.1
138.06790	1.5
148.97319	3.6
152.06235	1.7
153.05472	11.1
153.06961	7.7
153.09106	9.9
153.10236	1.2
153.12744	21.1
153.13857	1.2
154.05022	2.0
154.07579	0.8
154.08661	0.9
154.13097	0.7
162.97574	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00315	1.7
53.03944	5.4
55.01868	6.5
55.05515	29.5
56.02221	1.2
57.03442	4.8
57.07071	2.8
57.15465	1.4
59.05013	8.5
60.44528	1.1
65.03941	9.4
66.37370	1.1
67.05508	35.3
68.05031	1.3
68.96332	1.9
68.99800	1.4
69.03432	8.0
69.07066	19.1
70.05683	1.0
70.94270	2.2
71.01360	1.2
71.04993	31.6
71.30963	1.6
71.95271	2.0
73.02935	2.1
73.06564	18.6
75.04479	1.3
77.03931	1.4
79.05498	56.2
79.74008	1.0
80.05000	1.4
80.05822	2.6
81.03410	2.1
81.07060	100.0
82.06596	1.1
82.07378	2.7
83.04987	22.6
83.08612	5.4
84.08149	8.7
85.06570	2.5
86.97392	1.5
91.05488	20.3
92.05820	1.6
93.03426	4.8
93.05787	1.9
93.07051	48.6
94.07399	1.7
95.04973	37.4
95.08621	10.5
95.70387	1.2
97.02906	2.4
97.05265	2.8
97.06528	16.8
98.06118	1.1
98.09724	2.3
105.04541	1.7
105.07030	8.9
107.04959	42.2
107.08597	70.0
108.05279	1.4
108.08139	4.1
108.08850	2.6
109.06528	12.3
109.10146	13.3
110.03679	5.0
110.06080	2.7
111.03230	2.1
111.04441	15.5
111.06923	2.2
111.08087	18.1
117.07064	2.4
119.06088	1.8
119.08588	1.2
121.06480	3.1
123.08102	3.0
125.05999	4.8
125.09644	4.3
126.05504	7.9
126.09157	3.1
130.96330	1.8
135.04439	6.7
135.08057	12.1
135.11693	20.5
136.07556	6.6
138.03113	5.7
139.06313	2.4
148.97388	4.8
152.06216	17.1
153.01820	1.4
153.05501	21.6
153.06996	69.2
153.08963	13.0
153.10187	1.9
153.12740	14.3
154.05098	6.3
154.07686	9.2
154.08658	52.0
162.74985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03953	6.0
53.17170	1.2
55.01869	3.9
55.05518	23.0
57.03445	3.0
57.07074	1.9
57.98370	1.3
59.04998	6.8
65.03935	5.5
67.05506	24.5
69.03437	6.0
69.07067	15.8
70.59557	1.4
70.63315	3.3
71.05000	37.9
73.06561	22.0
79.05500	44.1
80.05850	2.0
81.07059	100.0
82.07411	2.8
83.04986	11.4
83.08627	4.1
85.06554	2.7
91.05484	20.6
93.03406	2.5
93.07047	46.2
94.07369	1.4
95.04974	19.2
95.08601	8.8
97.02927	3.1
97.06538	9.4
98.22676	1.7
105.07057	6.5
107.04973	3.2
107.08595	51.6
108.08941	2.9
109.06525	6.5
109.10139	10.5
110.03682	4.0
111.04446	9.2
111.08079	23.5
119.06083	2.3
119.08592	1.4
125.05994	2.5
125.09637	8.9
126.05520	2.8
130.96284	1.3
135.08081	8.0
135.11696	25.6
136.07552	1.6
138.03209	2.9
152.06250	7.4
153.05501	7.2
153.07007	27.9
153.09010	8.9
153.12738	14.9
154.05051	2.4
154.07721	6.3
162.85860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Thujone
Peak:m/z	Relative Intensity
53.03938	8.8
55.05511	19.6
57.03432	2.8
65.03951	5.0
67.05507	39.1
68.96307	3.8
69.03413	5.0
69.07079	23.8
70.86535	4.3
70.86871	3.6
70.95843	4.0
71.04992	93.3
71.95265	34.2
79.05496	100.0
80.04997	4.3
80.05793	3.4
81.07064	33.0
83.04977	11.4
85.06537	5.5
91.05489	20.2
93.07047	94.1
94.07344	4.1
95.04974	11.6
95.08604	30.6
97.06545	38.3
100.78810	3.1
104.44041	2.9
105.04547	3.5
105.07037	3.4
107.04987	3.9
107.08601	12.3
108.04512	3.5
108.08145	3.8
109.06553	3.5
109.10217	3.4
111.04443	5.7
111.08083	22.2
121.02921	5.1
121.10141	28.8
125.07096	3.2
126.05518	11.1
126.85809	2.8
132.14723	3.1
136.03972	4.9
136.07529	3.3
148.97357	5.8
153.05527	4.0
153.06818	11.7
153.09116	7.1
153.10225	7.5
153.12750	23.5
154.04987	12.1
154.08653	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	154.05
Annotation	(5R)-Carbapen-2-em-3-carboxylate
Peak:m/z	Relative Intensity
53.00299	0.2
53.03942	0.6
55.01881	0.9
55.05518	1.7
56.05032	0.3
56.96571	6.0
57.03438	0.4
59.05020	0.4
65.03945	6.5
66.96836	0.2
67.05508	1.3
68.05033	0.4
68.96348	2.1
69.03435	1.2
69.07076	1.3
69.15974	0.5
69.16380	1.3
69.96191	1.1
70.02953	7.5
70.06596	0.8
70.07413	0.4
70.94268	1.5
70.98138	0.5
71.04987	0.3
71.94106	0.5
71.95271	2.1
72.93806	1.5
73.02928	0.4
79.05501	0.7
80.05035	1.1
80.38812	0.3
81.03433	3.3
81.07055	1.4
82.06603	0.7
82.74486	0.2
83.03716	2.3
83.04988	1.6
84.04514	0.8
84.08141	0.4
85.02922	0.5
86.06047	0.4
86.97384	0.7
87.04467	0.4
88.95267	0.6
90.94845	0.4
91.05493	0.7
92.05018	0.7
93.03407	2.5
93.07064	0.3
94.06582	0.8
95.05003	1.2
95.06152	0.3
95.08637	0.3
95.41528	0.2
96.02139	0.3
96.04505	0.4
96.08148	0.5
97.02895	0.5
98.06081	0.6
98.97595	2.7
98.98487	0.7
99.04465	0.6
99.97915	0.5
107.01303	0.3
108.04512	1.2
108.08141	1.6
109.02878	2.1
109.06537	1.4
109.98961	0.6
110.06052	1.5
110.97537	0.3
111.03196	46.1
111.04388	10.9
111.06831	0.4
112.03555	0.8
112.05088	0.3
112.07621	0.4
113.03490	0.3
113.06017	1.0
113.96417	0.7
113.98597	0.3
116.98643	1.6
117.99010	0.3
119.01872	0.3
123.04415	0.4
123.06850	1.3
123.07664	0.2
123.69808	0.2
124.07619	1.9
126.05523	100.0
127.00605	0.3
127.03915	0.8
127.05861	2.5
127.07571	0.5
128.00032	0.4
128.02274	0.5
128.98593	0.4
129.05528	0.3
130.85768	0.3
130.96332	2.0
131.00189	0.9
131.01990	0.3
131.96161	1.5
131.97424	0.5
134.99683	0.5
136.03976	0.8
136.07579	3.9
136.08521	0.4
137.02350	14.8
137.05992	1.1
137.06996	0.5
139.02647	1.2
140.04684	0.3
146.99666	0.6
147.03296	0.8
148.97371	4.2
148.98509	0.2
149.01219	1.4
149.97223	3.2
153.06976	0.3
154.04999	56.8
154.08609	5.4
154.90746	0.4
154.94194	0.7
155.03549	1.4
155.05498	1.9
155.07037	2.4
158.99669	0.7
165.04343	0.6
167.02206	0.3
167.98242	0.4
171.98965	0.3
172.95303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	0.8
55.05512	6.7
56.05029	0.7
56.05845	0.3
57.03445	0.4
57.07079	7.6
57.18335	0.2
58.06600	0.3
59.04995	0.3
60.94890	0.2
65.03941	0.2
67.05503	3.0
68.05013	0.3
69.03432	0.7
69.07057	0.7
69.36171	0.9
69.36596	0.7
70.02952	0.3
70.06588	0.8
71.04984	1.3
71.08625	0.7
72.93785	0.6
79.05495	2.6
80.05814	0.4
81.06577	0.5
81.07057	10.7
82.06580	1.6
82.07391	0.6
83.04977	1.2
83.07362	0.4
83.08606	1.2
84.04474	0.3
84.05311	0.3
84.08113	0.5
85.06531	1.6
91.05502	0.8
93.05782	0.7
93.07082	0.3
94.06567	0.3
95.04975	2.1
95.08614	2.9
96.04504	0.7
96.05295	0.2
96.08105	0.3
97.05276	3.4
97.06580	0.3
98.06062	3.0
98.09692	2.6
99.04414	0.3
99.08100	0.4
108.08109	2.9
108.08787	0.3
109.06519	6.1
109.10139	1.2
110.06054	4.9
110.06812	0.4
111.03165	0.3
111.04426	0.6
111.06148	0.3
111.06840	4.4
113.06024	0.4
113.96419	0.5
115.05460	0.3
123.04404	0.3
124.07546	0.6
125.08361	0.9
126.05535	0.8
126.09161	3.8
128.06230	0.4
129.07030	0.5
130.96271	0.2
137.09549	0.5
137.13240	0.4
138.05501	0.9
139.06294	5.3
141.64627	0.3
145.01180	0.2
148.97401	0.3
149.97180	0.3
152.07065	0.5
153.07013	2.9
154.08636	100.0
155.07059	0.6
155.08807	6.5
155.10493	0.4
155.14305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.034
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
50.01600	0.5
51.02397	1.2
53.00286	0.5
53.03954	6.0
54.93545	0.4
55.01889	2.6
55.05516	3.9
55.93529	4.2
56.96570	4.1
57.03443	0.6
62.42649	0.5
65.03944	1.0
66.01083	0.4
67.01872	0.5
67.05506	2.4
68.05028	0.4
68.99799	4.3
69.03427	3.9
69.07072	0.5
69.96178	1.9
70.06598	0.9
70.95869	39.3
71.01376	2.1
71.04993	0.5
71.30981	0.5
71.94093	0.5
72.08157	1.0
72.93793	31.4
73.02917	0.6
73.94579	0.6
79.01856	7.0
81.03423	57.2
81.07072	1.8
82.03761	1.6
82.06566	0.9
83.01350	0.5
83.04987	8.2
83.06113	0.7
84.02118	2.9
85.02908	0.8
85.07692	0.8
85.82884	0.4
88.96384	0.9
88.96911	10.0
89.02406	0.7
90.94830	8.4
91.05487	0.6
93.03416	0.9
93.04549	0.5
93.07030	0.6
95.01341	1.8
95.04977	3.6
97.02904	1.7
97.06548	0.8
98.98483	1.8
99.04469	4.0
106.97956	1.2
107.01324	1.1
108.95894	0.9
109.02886	100.0
109.06523	1.0
109.10155	0.8
110.03223	2.6
110.06043	1.1
110.07171	5.5
111.04450	6.4
111.98486	12.8
112.01589	34.8
113.02414	0.9
113.06006	4.7
113.96411	3.7
114.94804	1.0
118.92091	0.9
119.01982	0.4
119.31488	0.4
123.00841	0.5
123.04448	1.1
125.02367	2.0
127.03923	59.6
127.07559	2.6
128.04288	1.7
129.05469	0.7
129.99525	6.8
131.01895	0.6
131.96123	2.6
131.97433	2.2
132.95844	35.7
136.93129	1.8
137.02353	10.9
137.03389	1.0
137.05988	1.5
137.07033	0.7
140.04677	3.7
141.01828	1.7
149.97226	6.4
150.96896	76.2
154.94183	3.4
155.03400	31.9
155.07022	11.5
155.08174	1.1
155.97415	2.9
156.03931	1.4
156.10266	0.6
168.97971	2.9
172.95280	6.8
173.98524	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	155.0855
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.02375	0.6
53.03949	5.6
55.01890	1.9
55.05507	4.2
55.93525	0.8
57.03431	0.8
57.07077	3.1
59.04992	0.6
65.03938	3.4
67.05506	13.8
68.99720	2.9
69.00127	1.0
69.03424	1.5
69.07071	4.8
70.95861	6.3
71.04604	0.6
71.04991	7.5
71.08623	3.0
72.93789	6.9
77.03940	1.0
79.05499	2.4
81.03413	1.6
81.07058	15.8
83.04975	3.0
83.08630	0.4
83.88708	0.4
85.02904	0.8
85.06543	4.8
85.10157	0.8
87.63513	0.4
88.96896	1.4
90.94827	1.6
91.05511	0.6
93.07032	1.2
95.04971	32.6
95.08607	16.6
95.09222	0.5
96.05315	0.7
96.08895	0.5
97.02888	1.5
97.06525	1.5
98.22623	0.7
98.98480	0.5
99.04456	1.7
99.08124	2.0
103.05476	1.7
105.04517	3.1
109.02953	0.4
109.06522	2.2
109.10158	5.1
110.03680	0.7
111.04468	2.8
111.08105	1.3
111.98460	2.2
112.01572	0.8
113.06000	2.8
113.09634	0.6
113.96374	1.9
115.05459	14.6
117.83932	0.4
119.08618	0.5
121.04009	0.6
122.24274	0.4
123.04436	11.9
124.04759	0.6
125.02344	6.3
127.03925	3.8
127.05378	1.8
127.07568	0.7
128.06235	8.0
128.07106	0.7
129.07014	14.2
129.99521	0.8
130.07344	0.8
131.96156	0.6
131.97441	1.1
132.95831	7.3
137.02449	0.4
137.05969	1.0
137.09616	1.8
137.13261	1.0
138.09138	0.9
139.05336	0.4
140.04683	21.2
141.05003	0.6
141.06958	1.5
145.06480	2.7
149.97197	0.8
150.96889	10.8
150.98044	0.7
152.06201	3.6
153.06992	32.0
154.07765	14.1
155.03477	0.9
155.04938	1.8
155.06000	4.3
155.07146	3.7
155.08553	100.0
155.14282	3.1
155.97459	0.8
156.06599	0.7
156.08939	7.4
173.98550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0855
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.02378	1.1
53.03944	4.2
69.30065	1.6
69.30485	1.0
77.03925	1.8
89.03918	0.5
91.05489	0.6
95.04964	3.2
98.23356	0.5
102.04682	0.6
103.05482	3.1
105.04533	1.7
108.15225	0.5
115.05458	27.3
116.06238	2.0
120.04337	0.4
122.74622	0.5
126.04616	0.5
127.05457	4.1
128.06223	22.9
129.07024	16.4
130.07367	1.1
139.05426	1.1
140.06207	1.5
141.07011	4.3
145.06497	6.2
152.06210	7.8
153.06998	43.8
154.07794	17.6
155.06047	9.4
155.08559	100.0
156.06433	0.6
156.08916	6.7
161.62439	0.4
162.63266	0.4
169.06514	0.6
172.95457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
50.32231	0.4
51.02379	1.0
53.03951	3.6
69.10572	2.9
70.95861	1.6
72.93788	1.6
77.03936	1.3
77.81052	0.4
83.04981	0.7
87.88758	0.4
91.05487	0.7
92.28291	0.4
95.04972	4.2
96.93621	0.4
98.29448	0.4
99.04483	0.4
102.04687	0.5
103.05462	3.2
105.04500	1.4
109.06585	0.4
111.04507	0.5
111.98457	0.6
113.06027	0.7
115.05460	23.1
116.06239	1.7
123.04443	0.4
127.05436	3.5
128.06230	17.8
129.07019	17.0
130.07343	0.8
132.95842	2.2
139.05420	0.7
140.06174	1.2
141.06982	3.5
141.07979	0.5
145.06494	5.5
150.96887	2.4
152.06223	6.8
153.07001	41.7
154.07794	16.6
155.06049	9.1
155.08559	100.0
156.08920	7.4
169.06493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0856
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.02377	0.5
53.03943	1.3
55.05506	0.6
55.59264	0.2
57.30148	0.2
57.60386	0.2
67.05492	0.6
69.96165	0.4
70.95864	1.0
71.05012	0.2
72.93787	0.9
77.03931	0.5
81.07047	0.2
83.04984	0.8
88.96918	0.3
90.94833	0.3
91.05453	0.2
95.04962	2.2
98.98467	2.0
99.04470	0.3
103.05463	0.9
105.04510	0.9
109.07644	0.3
111.04457	0.5
113.05980	0.5
115.05455	8.7
116.05766	0.4
127.05447	0.9
127.07563	0.3
128.06233	5.0
129.07014	8.4
129.99493	0.3
130.07370	0.4
131.96136	0.8
132.95824	0.6
137.07106	0.4
138.05528	0.2
138.09229	0.3
141.07066	0.3
142.15134	0.2
142.88280	0.2
145.06488	1.9
149.97240	1.1
150.96916	1.8
152.06201	1.7
153.06996	22.4
154.07788	10.0
154.97810	0.2
155.06050	3.4
155.08553	100.0
156.06378	0.5
156.08928	6.1
173.98460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03924	1.1
55.01866	4.1
55.05513	24.1
55.93526	1.5
56.96559	1.8
57.03436	3.4
57.07084	1.3
57.15429	0.9
57.62793	0.8
58.55572	0.9
59.05003	4.1
65.03946	3.3
67.05507	100.0
68.05835	2.3
69.03425	4.2
69.07072	1.9
69.54256	1.8
69.54667	3.4
69.96178	2.2
70.69102	0.9
70.95869	18.4
71.04993	5.3
71.94094	1.4
72.93789	19.7
73.02895	1.8
79.05492	4.0
81.03398	1.2
81.07059	15.1
83.04987	12.0
83.08628	5.5
85.02903	1.8
85.06536	2.6
86.06059	1.5
88.96899	4.7
90.94833	8.0
91.05483	6.9
93.07038	2.9
95.04967	3.1
95.08622	6.0
97.06519	1.4
98.98477	11.0
99.04477	6.0
99.99535	0.9
107.08587	2.7
109.10151	17.3
110.06096	1.6
111.04436	7.2
111.08073	5.8
111.98505	5.6
113.05997	6.9
113.96436	4.8
114.05482	1.2
115.05426	1.3
119.08530	1.3
127.05881	1.0
127.07538	2.9
129.05449	1.1
129.99518	2.6
131.96175	1.5
131.97453	4.4
132.95839	16.1
137.06082	1.1
137.07104	2.1
137.09656	2.3
138.01895	0.9
138.05499	1.3
149.97203	8.2
150.96896	43.1
153.06982	1.0
155.05901	1.9
155.07036	21.3
155.08443	6.1
155.10670	1.1
155.97406	1.7
156.06541	1.0
156.08064	2.6
156.10207	1.0
168.97899	1.8
173.98512	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	155.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01174	0.4
53.03959	0.5
55.05524	1.8
57.03438	1.5
57.07080	100.0
58.07418	2.3
67.05511	1.3
69.07075	1.0
70.14896	1.2
70.95879	1.1
71.05006	1.0
72.93804	2.0
75.21383	0.3
81.07064	2.5
81.67255	0.4
83.05006	1.2
85.06548	9.6
88.96916	0.4
95.04987	1.3
95.08594	2.5
98.98511	0.8
99.04463	0.8
107.16033	0.4
109.10166	0.4
111.04439	0.5
111.46996	0.4
111.98473	0.6
113.06033	0.7
113.96452	0.4
115.05479	1.1
127.07576	0.6
128.06255	0.6
129.07065	1.1
132.95865	1.8
141.07053	0.6
149.97237	0.5
150.96893	3.3
153.07005	2.0
153.89877	0.4
154.07677	0.6
155.07109	1.2
155.08606	6.0
155.14330	4.1
156.08116	0.5
156.09280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	p-cis-Menth-2-en-1-ol
Peak:m/z	Relative Intensity
53.03943	3.0
55.01865	1.4
55.05511	12.9
57.03421	1.8
57.07076	18.8
60.66193	0.7
65.03925	1.9
67.05503	52.3
68.05819	1.6
69.03416	2.6
69.07069	26.3
70.07395	0.9
70.27693	1.9
70.95866	9.5
71.04993	64.3
71.08630	15.3
72.05321	1.5
72.93788	9.2
75.33904	0.7
79.05493	10.6
81.03417	1.0
81.07056	96.1
82.07396	4.0
83.04973	3.9
83.08626	2.0
85.06544	22.6
85.10187	6.6
86.06847	0.9
88.96901	1.5
90.94830	1.6
91.05470	2.4
93.07034	4.0
95.04963	8.6
95.08605	100.0
96.08929	5.3
97.06561	1.1
97.10171	1.1
97.58888	0.9
99.04447	2.0
99.08084	8.4
105.04562	1.2
106.69463	0.7
107.08578	0.9
109.06517	2.1
109.09443	1.3
109.10153	16.0
111.04446	1.6
111.08087	1.8
111.98470	3.2
113.06012	2.6
113.09641	3.8
113.96381	2.6
115.05443	5.0
123.04411	2.9
127.07552	1.2
128.06209	3.0
129.07011	5.2
129.99539	1.1
132.95828	11.3
137.09613	2.8
137.13211	4.5
140.04681	3.0
141.06987	2.4
150.96895	14.0
152.06239	1.5
153.06981	12.1
154.07748	5.1
155.05986	1.3
155.07063	5.5
155.08537	36.8
155.10622	1.8
155.14291	15.1
156.09013	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	155.1431
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
52.33462	0.3
53.00289	0.3
53.03942	0.8
55.01877	3.3
55.05512	4.4
57.03438	2.1
57.07076	100.0
58.07408	2.7
59.05011	0.5
65.03930	0.8
67.05505	10.1
69.03439	0.5
69.07073	3.1
70.58454	1.0
70.95860	2.3
71.04989	4.7
71.08630	1.7
72.93793	1.8
77.03874	0.3
79.05499	1.6
81.03432	0.5
81.07057	9.1
82.07403	0.7
83.04983	1.9
83.08648	0.3
85.06542	13.5
91.05515	1.1
93.07070	1.4
95.04974	5.5
95.08606	10.3
96.08940	0.8
97.06567	0.4
98.98460	0.4
99.04450	0.8
99.08092	1.9
103.39718	0.3
105.04533	0.4
109.06535	1.3
109.10155	4.4
109.64951	0.3
111.04428	0.9
111.98497	0.4
113.06042	0.8
113.09733	0.4
113.96422	0.6
115.05484	1.2
119.08598	0.6
123.04424	1.0
123.80328	0.3
128.06233	0.8
129.07033	0.8
129.99535	0.4
132.95816	2.2
137.05957	0.3
137.09645	1.1
137.13281	0.5
140.04724	0.5
141.06984	2.3
145.06511	0.4
150.96889	3.3
152.06296	0.3
153.06969	2.4
154.07776	0.9
155.07097	1.2
155.08572	9.4
155.10745	0.8
155.14310	5.0
156.09238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.143
Annotation	Ipsenol
Peak:m/z	Relative Intensity
55.05518	2.5
56.59173	0.4
57.03441	1.7
57.07076	100.0
58.07420	1.7
67.05512	4.5
68.22274	0.5
69.07071	1.4
70.61818	1.2
70.95875	2.2
71.04990	1.4
72.93796	3.0
79.05515	1.3
81.07053	6.5
82.57364	0.5
83.04993	1.0
85.06544	10.3
91.05540	0.5
93.07066	0.7
95.04997	1.8
95.08614	4.7
97.06537	0.7
98.98470	0.7
99.04482	0.7
99.08076	0.8
109.06548	0.7
109.10200	1.9
111.04510	0.7
111.08122	0.5
113.06002	0.6
113.96422	0.7
115.05450	1.3
120.07977	0.5
122.19728	0.6
123.04485	0.7
128.06226	0.8
129.07031	1.0
132.95876	1.8
137.09702	0.7
137.13322	0.8
148.31758	0.6
150.96895	3.0
153.07053	1.6
154.07848	0.6
155.07083	2.1
155.08594	5.8
155.10631	0.9
155.14314	3.9
156.09288	0.8
171.20749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
50.01174	0.4
53.03959	0.5
55.05524	1.8
57.03438	1.5
57.07080	100.0
58.07418	2.3
67.05511	1.3
69.07075	1.0
70.14896	1.2
70.95879	1.1
71.05006	1.0
72.93804	2.0
75.21383	0.3
81.07064	2.5
81.67255	0.4
83.05006	1.2
85.06548	9.6
88.96916	0.4
95.04987	1.3
95.08594	2.5
98.98511	0.8
99.04463	0.8
107.16033	0.4
109.10166	0.4
111.04439	0.5
111.46996	0.4
111.98473	0.6
113.06033	0.7
113.96452	0.4
115.05479	1.1
127.07576	0.6
128.06255	0.6
129.07065	1.1
132.95865	1.8
141.07053	0.6
149.97237	0.5
150.96893	3.3
153.07005	2.0
153.89877	0.4
154.07677	0.6
155.07109	1.2
155.08606	6.0
155.14330	4.1
156.08116	0.5
156.09280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
53.03959	1.2
54.56910	1.2
55.01851	1.8
55.05513	16.7
57.03434	1.0
57.07082	12.6
67.05506	10.6
69.07072	61.7
69.10310	1.0
70.07407	1.8
70.79920	2.5
70.95872	6.7
71.04980	3.3
71.08634	100.0
72.08967	2.4
72.93792	7.8
79.05498	2.5
80.42171	1.0
81.07057	26.1
83.04981	5.5
83.08616	3.5
85.06547	75.0
85.99734	1.1
86.06873	2.8
90.94814	1.7
95.04987	2.5
95.08617	20.7
98.98446	3.0
99.04449	1.6
99.08092	37.5
100.08418	2.3
109.10165	6.6
111.04415	2.5
111.11735	2.5
111.98465	1.3
112.96974	1.1
113.06008	2.5
113.96443	1.1
127.07611	1.5
131.97527	1.1
132.95863	7.1
137.09616	1.2
141.07028	2.2
150.96895	10.2
153.07002	2.2
154.07727	1.8
155.07033	5.0
155.08536	7.8
155.14313	91.1
156.08119	1.4
156.14676	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	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
69.78764	1.4
70.05810	4.6
70.06593	1.5
74.09721	22.6
81.91758	1.3
83.06109	2.7
89.46439	1.3
93.04512	1.7
95.06094	2.1
96.96904	5.4
110.07172	21.9
112.05276	7.2
121.01788	1.4
130.06306	28.2
130.20557	1.3
156.04218	100.0
157.04549	1.7
171.56560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0133
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
54.67233	0.3
55.01872	100.0
55.05515	1.7
56.02205	1.8
56.96563	10.3
57.03439	2.9
57.93560	0.4
58.06598	0.4
61.02947	0.3
62.85674	0.3
65.03931	0.5
67.05513	0.9
68.99799	0.4
69.03421	1.8
69.07082	0.5
69.11954	1.1
69.12386	1.1
70.06586	3.5
70.98132	0.8
71.01352	1.7
71.05000	0.3
71.95262	1.4
72.08158	0.6
73.02914	3.8
74.93836	0.4
77.00913	0.4
78.93269	0.3
81.03423	0.6
82.06553	0.3
83.00838	0.7
83.01340	8.2
83.04981	3.4
83.06091	0.4
84.04479	0.3
84.06488	0.4
84.08133	0.4
84.96053	0.3
84.99262	5.7
85.02908	2.5
93.03377	0.4
93.07038	0.3
95.01330	0.4
95.04983	1.0
97.02908	0.8
97.96796	0.5
98.06070	1.1
98.06694	0.3
98.97581	15.2
99.04473	0.4
101.00906	1.0
101.02382	1.6
101.06031	0.4
102.01039	1.1
102.09207	0.4
103.00629	0.7
103.93703	0.3
110.07205	1.0
110.97577	0.5
111.00803	4.2
111.01418	0.3
111.04410	1.7
111.05616	0.9
111.06853	0.9
111.07530	3.8
112.07645	1.0
112.08772	0.7
113.02386	0.5
114.05551	0.4
115.00660	0.6
115.02408	0.8
116.00269	0.4
116.97331	1.9
116.98617	13.5
118.01176	0.3
119.01923	4.5
120.02003	5.3
121.01672	3.5
124.35549	0.3
127.03946	0.4
128.98650	0.9
129.01857	2.0
131.01897	0.5
131.91180	0.3
133.01648	3.4
133.03452	3.2
134.01279	0.3
134.03729	0.5
134.04739	0.3
134.99654	8.5
135.03236	0.5
137.02943	1.5
138.03053	2.1
139.02727	1.8
139.03909	0.8
139.08707	0.7
140.07097	0.6
142.02646	0.3
142.96521	0.7
143.03619	2.8
144.03275	0.9
146.99712	0.9
151.02736	1.0
151.04570	0.8
152.04703	0.4
152.96947	0.5
153.00716	1.6
157.01337	7.2
157.03528	1.2
157.04869	1.6
157.07730	0.3
157.09692	0.5
158.08205	0.6
158.09492	2.0
158.11873	1.0
158.15498	0.9
160.02251	0.8
160.97647	1.0
161.04706	0.9
162.04346	0.3
171.39922	0.3
174.98976	0.5
175.02763	0.9
175.04601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1224
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03937	2.7
55.01879	5.2
55.05512	73.1
56.05843	2.7
56.96568	13.2
57.03436	8.7
57.07077	32.5
57.93571	9.7
59.04998	4.3
62.98256	3.0
67.05507	20.1
69.03426	9.3
69.07069	100.0
70.06594	2.1
70.07395	2.7
70.43040	1.0
70.95851	1.0
71.04996	5.7
71.08633	16.6
71.10883	1.3
71.11226	1.0
71.95271	3.6
72.93808	1.3
73.06567	5.6
74.06077	1.1
74.93164	15.9
74.93826	1.8
75.94592	2.9
79.05492	30.3
81.07067	18.8
83.04982	74.4
83.08616	2.9
84.05336	1.1
85.06572	1.1
85.31847	1.0
86.06087	1.3
87.04470	3.9
91.05478	4.3
93.07046	36.0
93.95636	2.5
94.07394	1.3
95.08604	28.2
96.04530	1.2
97.06528	20.1
97.10169	25.4
98.06045	3.1
98.06933	1.0
98.96165	1.8
98.97585	55.8
99.08101	5.0
101.05991	1.2
102.09177	51.1
102.37057	1.5
105.06982	1.3
109.10101	1.2
111.11720	1.8
112.07627	5.2
115.11238	1.2
115.96442	1.1
116.07079	1.4
116.10736	1.4
116.97261	25.9
116.98615	56.8
121.10149	12.4
122.10471	2.0
129.06982	3.3
130.06526	1.2
131.99547	2.0
134.95927	1.2
134.99657	45.3
139.08714	1.8
139.11185	28.0
140.00230	2.9
140.11478	1.3
142.07771	4.2
148.96181	4.2
150.96913	1.9
151.97150	1.6
152.96925	11.1
153.00722	8.0
157.04341	1.6
157.07594	5.3
157.10124	3.0
157.12231	11.9
158.01295	4.1
158.06081	1.5
158.09644	14.6
158.15396	73.8
174.98364	1.3
176.02325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98634	0.2
56.96566	13.7
58.60638	0.2
60.99900	0.2
69.06342	0.2
70.74239	0.4
71.95264	3.6
74.37536	0.2
88.62278	0.2
97.99200	0.6
98.97584	100.0
99.97929	0.9
116.00221	0.8
116.98621	51.3
117.98990	0.7
124.67320	0.2
134.01271	0.3
134.02982	0.3
134.04852	0.3
134.99660	15.3
135.03151	0.3
135.99939	0.2
140.00217	0.8
152.96896	0.3
153.00687	1.5
158.01265	0.5
166.94275	0.2
167.76472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.3
55.05509	0.6
55.79390	0.3
56.05049	0.3
56.96569	14.2
57.93574	2.8
62.15664	0.2
69.07084	0.3
70.06586	1.5
70.76101	0.5
71.95264	4.1
71.95623	0.4
72.08152	0.4
75.94607	1.1
83.85175	0.3
93.95663	0.5
97.99184	0.8
98.06094	0.5
98.97589	100.0
99.97926	0.8
101.00886	0.4
102.09177	0.5
106.57784	0.3
112.07582	0.7
112.08749	0.8
116.00216	0.8
116.07062	0.5
116.97365	8.3
116.98625	62.3
117.99000	0.3
119.01923	0.6
121.01686	0.3
130.03546	0.5
130.06563	0.4
131.99583	0.5
134.01213	0.4
134.03061	0.4
134.95854	1.0
134.99664	22.7
136.00108	0.4
136.60303	0.3
140.00198	1.0
140.07060	0.5
143.01891	0.5
148.96193	0.8
152.96944	2.6
153.00693	1.9
158.01279	0.9
158.05986	0.3
158.08115	0.6
158.09399	1.0
158.15421	1.2
161.02960	0.5
175.98566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98651	0.5
56.96567	14.3
57.93564	0.5
65.12381	0.2
69.03415	0.3
70.06620	0.3
70.11607	0.7
70.11962	0.3
70.98139	0.4
71.01347	0.4
71.05003	0.2
71.95269	3.9
75.94572	0.2
78.51408	0.2
84.36189	0.2
97.95328	0.2
97.99193	0.8
98.97588	100.0
99.97922	0.6
109.51033	0.2
112.08722	0.3
116.00231	0.7
116.97258	1.4
116.98625	48.9
117.98982	0.5
119.01895	0.3
121.01645	0.3
127.00269	0.3
127.01578	0.4
127.07814	0.2
130.06531	0.2
134.01244	0.3
134.99661	15.4
140.00191	1.3
145.01369	0.2
152.96939	0.4
153.00668	1.2
154.80966	0.2
158.01311	0.6
158.15440	0.7
159.02867	0.3
176.02383	0.3
177.00902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
56.96566	19.5
57.93587	1.0
59.93112	6.9
63.36103	0.5
67.81506	0.5
68.15855	0.6
69.33953	1.1
69.34354	3.4
70.06578	1.0
71.95268	6.0
72.04512	0.8
72.08178	1.3
73.95719	0.8
74.87692	0.7
76.93372	1.0
77.94163	1.4
84.04485	1.0
88.77641	0.7
91.05478	1.3
95.95174	1.2
96.08155	0.7
98.97585	67.7
99.97923	4.6
103.05484	1.1
104.05797	0.8
105.07050	1.3
108.73294	0.6
114.05510	1.4
114.09208	1.4
115.05460	19.2
116.04990	0.8
116.98623	57.5
117.05762	17.2
117.95992	0.8
117.97562	1.7
117.98953	3.6
118.06580	4.5
118.96765	17.7
118.99069	0.8
119.01931	2.1
130.06531	26.5
131.04924	1.1
131.06824	4.3
131.08493	0.8
132.08092	100.0
133.08426	3.8
133.99069	0.9
134.99655	34.2
136.00000	2.2
136.95442	1.3
140.00153	0.9
140.05017	0.8
141.01910	1.4
142.03503	1.5
142.06519	27.5
143.07109	1.3
145.03201	0.6
150.95734	1.4
152.96910	0.9
153.00703	5.3
153.96909	1.1
154.96466	6.9
156.07793	0.6
158.01253	0.9
158.08423	2.3
158.11871	0.6
159.09175	80.4
160.04622	3.0
160.06151	1.0
160.07576	16.8
160.09555	3.0
172.97552	1.2
177.98068	0.9
178.05695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.05516	1.6
56.96564	1.8
57.03439	38.8
57.07077	100.0
58.03793	0.8
58.07416	2.1
59.04998	0.7
60.66178	0.6
61.02932	3.4
67.05502	5.4
70.06573	0.8
71.05015	1.0
71.30962	1.0
79.05513	2.0
81.07058	5.5
85.02911	1.9
85.06546	28.6
87.00846	1.3
87.04488	1.1
91.05481	24.8
93.07037	0.8
95.08616	5.0
98.97585	3.5
99.08138	0.9
99.97917	1.0
103.05460	4.2
103.07585	24.8
105.07030	9.2
114.05642	0.9
115.05447	6.0
116.06270	3.9
116.98669	2.9
117.07025	14.5
118.06492	0.8
118.96790	2.1
119.08580	4.5
123.08089	0.9
128.06244	1.6
129.07001	14.3
129.07889	1.1
130.07808	2.7
131.04941	4.2
131.08569	43.4
132.08104	1.8
132.08949	2.2
134.99742	1.8
141.06982	4.3
142.06577	0.8
142.07809	0.9
144.05698	5.6
144.09369	13.1
151.19576	0.7
154.96443	0.9
157.10168	1.8
159.04498	1.9
159.08078	20.8
159.10229	16.9
159.11736	40.4
160.05220	1.1
160.07584	2.6
160.10574	1.1
160.12105	2.1
169.07623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.1
59.04991	2.0
61.02910	1.5
67.05508	11.2
69.45695	3.8
69.46114	2.9
71.04990	5.7
79.05499	3.9
81.07056	12.3
83.04988	8.8
83.08595	1.8
85.06551	2.5
87.00830	3.9
87.04511	0.9
91.05480	27.3
93.07043	2.9
95.08611	33.4
97.06529	3.4
98.97582	1.4
99.08092	5.7
101.06021	3.4
103.05480	3.0
105.07034	20.8
111.08105	1.2
113.09616	0.9
114.05499	1.1
115.05461	6.3
116.06262	6.9
117.01851	3.7
117.07024	25.5
119.08591	10.9
123.08059	8.1
128.06223	3.0
129.07005	21.6
129.23712	1.1
130.07809	8.8
131.04935	2.3
131.08569	62.0
132.08902	1.7
141.06972	6.4
141.09079	1.7
142.07794	1.3
143.08542	1.9
144.05724	7.1
144.09352	30.5
145.10135	4.7
157.10107	4.1
159.08067	25.2
159.11694	100.0
160.05225	1.2
160.12038	4.7
169.07626	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.40509	0.2
53.03949	0.9
55.05511	1.1
56.96564	0.4
59.93119	0.4
65.03954	0.7
67.05511	9.1
68.01716	0.3
71.30367	0.4
74.06076	0.2
77.03947	0.4
78.47652	0.3
79.05499	12.3
80.05824	0.5
81.07065	8.6
91.05486	28.1
92.05846	1.1
93.07057	4.3
95.05000	0.6
98.97589	0.6
103.05464	1.3
105.07038	23.6
106.07367	1.1
114.05540	0.5
115.05461	5.6
116.06262	2.3
116.98645	0.7
117.07026	71.8
117.99010	0.3
118.07349	2.2
118.07872	1.4
118.96798	0.8
119.08603	2.9
127.05513	0.3
128.06174	0.3
129.07013	9.0
130.07817	4.7
131.08574	91.4
132.08913	4.7
142.07805	0.9
143.08609	0.3
144.09343	6.5
145.09686	0.3
154.96458	0.5
157.10136	4.6
158.10483	0.4
159.11700	100.0
160.12029	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02394	0.6
53.03955	0.4
54.44070	0.5
59.27924	0.5
65.03960	0.6
67.05511	3.1
70.06590	0.5
70.70387	0.8
76.55726	0.5
79.05492	3.8
81.07061	4.2
84.04512	0.8
91.05482	16.7
93.07050	1.3
103.05425	0.7
103.09502	0.7
105.07032	14.6
106.07399	0.6
114.05576	0.5
115.05446	5.8
116.06247	2.7
117.07024	50.3
118.07377	1.8
118.96770	1.4
119.08590	5.4
121.77269	0.4
128.06219	0.8
129.07004	10.4
129.07898	0.9
130.07793	15.2
130.75215	0.6
131.08571	87.4
132.08893	4.8
134.99559	0.6
142.07767	0.6
143.08498	0.8
144.09349	9.5
146.75287	0.4
154.05467	0.4
157.10147	2.6
159.08093	4.4
159.11696	100.0
160.12022	6.8
178.88792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93077	0.2
56.96563	0.4
63.65725	0.2
68.45076	0.2
69.05012	0.6
69.05432	1.2
69.23626	0.2
72.32437	0.2
76.46261	0.2
78.66653	0.2
79.16467	0.2
82.01445	0.5
82.12543	0.2
82.13097	0.2
82.99832	3.7
98.97597	1.0
99.97931	0.8
100.02477	3.4
100.97195	0.5
101.00880	39.4
102.00939	1.1
115.96312	0.2
116.98631	0.5
117.98946	0.3
118.03525	7.0
119.01919	100.0
120.02009	1.7
120.73752	0.2
121.02361	0.3
124.02448	3.7
125.02480	0.2
133.07664	0.2
134.99663	0.5
136.04572	2.8
137.02954	23.9
142.03500	31.9
143.03629	2.4
160.04553	33.2
161.03014	1.9
161.04652	2.2
165.05159	0.3
178.04025	0.4
178.05611	8.3
179.04001	2.8
179.05690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.3
58.99865	0.2
59.93113	2.1
60.00644	0.2
64.81816	0.1
71.30346	0.2
76.93348	0.2
77.94141	0.7
82.01450	0.3
82.99831	2.2
95.95215	0.3
98.97570	0.7
99.97916	0.3
100.02480	2.5
100.97190	0.3
101.00882	26.9
102.00920	0.7
111.28873	0.2
114.05571	0.2
116.54826	0.1
116.98650	0.5
117.98971	0.2
118.03527	6.3
118.06541	0.2
118.96776	5.5
119.01923	100.0
120.01985	2.1
121.02352	0.5
124.02437	3.0
133.99094	0.2
134.99634	0.3
135.99976	0.2
136.04556	4.9
136.95430	0.4
137.02959	32.8
138.03035	0.7
139.03439	0.2
142.03502	31.0
143.03616	2.4
150.95720	0.5
154.83469	0.2
154.96481	1.6
157.96419	0.1
160.04559	34.2
161.02979	1.6
161.04698	2.4
161.07108	0.2
165.05145	0.7
172.97539	0.2
177.98032	0.2
178.05618	10.6
179.04024	3.3
179.05757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.3
69.30436	1.1
82.99841	2.4
83.99918	0.3
98.97579	0.6
100.02496	0.4
100.97214	0.3
101.00881	31.8
101.95062	0.2
101.97215	0.3
102.00940	3.4
102.96886	1.1
103.00618	0.9
111.00404	0.2
116.98634	0.6
118.03535	0.3
119.01922	100.0
120.01999	9.6
120.97887	0.7
121.01672	1.4
121.02382	0.5
126.02155	0.2
135.71544	0.2
137.02956	26.1
138.03067	2.4
142.03481	1.5
143.03630	3.0
144.03235	1.7
153.77515	0.2
160.04576	0.4
161.02974	3.5
161.04716	3.7
162.03114	0.4
162.04300	1.8
177.73204	0.2
179.02434	0.4
179.04022	4.6
179.05699	0.9
180.04103	0.4
180.05464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30292	0.2
53.03938	0.2
55.01865	0.7
56.05042	0.2
56.96565	8.9
56.96850	0.4
57.03441	1.2
57.07069	0.5
58.96165	0.4
58.99826	0.2
60.95850	0.7
61.02923	0.9
65.03932	0.2
67.05492	0.8
68.00260	0.4
68.99802	0.2
69.03132	0.2
69.03436	2.5
69.07057	0.3
69.94426	0.7
71.01351	0.5
71.04987	0.7
71.95261	0.3
73.02923	1.3
74.06080	0.4
74.97572	0.2
75.94552	0.2
77.00787	0.8
79.05488	0.5
81.03423	0.8
81.07037	0.3
82.99838	1.9
83.01328	0.4
84.04473	0.3
84.08138	0.3
84.96037	0.5
85.02481	0.3
85.02912	2.5
85.06510	0.3
87.04455	0.7
89.00787	0.4
90.01592	0.2
91.05461	0.4
95.00770	0.2
97.02890	3.7
98.01291	0.2
98.03150	1.0
98.05980	0.3
98.23255	0.3
98.97585	7.8
99.04442	0.4
99.97916	0.3
100.97206	1.1
100.97985	0.9
101.00878	24.1
101.02377	0.8
101.95021	0.9
101.97200	0.5
102.00931	2.5
102.02237	0.2
102.96177	0.2
102.96867	4.4
102.97514	0.4
103.00622	0.8
103.01270	0.3
103.05487	0.2
105.06999	0.8
107.03616	0.7
109.02871	0.7
110.01252	0.3
110.03074	0.3
110.97574	0.3
115.00681	1.7
115.02435	0.3
115.03963	0.3
116.07130	0.2
116.98624	4.0
118.03506	0.5
118.98204	0.8
119.01918	100.0
119.98260	0.3
120.01998	9.7
120.03316	0.4
120.96564	0.2
120.97907	3.1
121.01640	2.1
121.02399	0.3
123.03877	0.3
124.02498	0.2
125.02567	0.3
125.03619	0.3
127.03894	0.5
128.02269	0.5
128.98569	0.5
129.02122	0.3
129.04021	0.3
131.01959	0.2
131.03635	0.4
132.04359	0.4
133.01744	2.1
133.03452	0.7
133.06448	0.3
133.10118	0.3
134.99664	1.6
136.99214	0.5
137.02953	34.0
138.03053	3.0
138.98917	1.3
139.00702	0.2
139.02594	0.4
141.02234	0.3
142.03471	1.8
143.01968	1.0
143.03621	3.7
144.02026	0.2
144.03238	1.3
145.04930	0.3
151.02731	0.3
157.03517	0.3
158.99666	0.7
159.03287	1.6
159.04974	0.3
160.04544	0.4
161.02953	4.4
161.04654	4.1
161.06851	0.9
161.09570	0.4
162.03105	0.4
162.04323	1.8
162.05457	0.3
162.07675	0.2
163.02623	0.2
170.05095	0.2
172.50490	0.2
177.00661	0.4
177.04330	2.6
179.02411	0.3
179.04004	4.8
179.05717	1.3
179.07512	0.3
180.04037	0.3
180.05449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02377	0.5
53.03946	2.8
54.04297	0.2
55.01873	4.4
65.03932	0.8
66.04723	2.2
69.03415	0.5
69.58873	0.9
70.06582	0.3
72.04511	0.7
74.06079	0.4
76.88464	0.2
77.03934	0.8
79.05494	21.9
80.05817	0.3
81.03410	0.5
81.04399	0.3
84.04495	0.8
85.02921	0.3
89.03913	1.0
90.04696	4.1
91.05476	4.8
91.06006	0.4
92.02637	1.1
93.07059	0.3
94.04144	0.3
95.04969	3.8
95.33666	0.2
97.02876	0.7
98.06059	0.5
101.95053	0.3
102.04694	0.7
103.05470	28.4
104.05800	1.0
105.04592	1.5
105.07030	100.0
106.06623	0.5
106.07350	3.8
107.04954	0.9
114.05559	0.3
115.05454	31.0
116.05786	1.0
118.04160	20.5
119.04459	0.5
119.08562	1.5
120.96531	0.5
127.99333	0.3
130.04196	0.3
131.04918	4.6
132.05678	1.1
133.06493	47.2
133.10168	0.9
134.06825	1.8
138.98943	0.4
143.04930	0.6
143.06041	5.6
144.06523	0.8
144.08047	0.3
146.03606	0.9
161.05975	9.3
161.07135	1.3
161.09581	0.6
161.10802	0.4
161.13292	1.2
162.05435	0.6
162.06575	0.4
162.07724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02361	0.7
53.03956	2.3
55.01877	5.0
59.73758	0.4
65.03944	0.7
66.04717	1.6
77.03922	1.1
79.05497	23.1
80.05836	0.7
80.99841	0.5
83.83524	0.5
89.03920	1.4
90.04715	4.0
90.43491	0.5
91.05486	5.1
92.02633	1.1
94.04162	0.8
95.04986	3.9
102.04668	1.0
103.05473	26.8
104.05780	1.2
105.04605	2.4
105.07035	100.0
106.07364	3.6
107.04960	1.1
115.05459	30.3
116.05813	1.3
118.04166	20.1
119.04504	0.8
119.08601	1.9
130.32162	0.5
131.04942	4.7
132.05734	1.6
133.06496	47.9
133.10088	1.1
134.06854	1.8
143.04987	1.0
143.06050	5.9
146.03590	0.7
161.05991	9.7
161.07211	0.8
161.09628	2.3
161.13286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.08482	0.2
51.02395	0.6
53.03951	3.2
55.01627	0.4
55.01876	4.8
56.05035	0.2
61.79910	0.2
65.03947	0.6
66.04724	2.0
68.99814	0.2
69.04752	0.2
69.07080	0.4
70.53332	0.2
70.53658	0.3
72.04517	0.4
74.06078	0.4
74.14915	0.2
77.03923	0.8
79.05495	22.8
80.05821	0.7
81.03420	0.5
81.07058	0.6
82.25917	0.2
82.34422	0.2
82.80557	0.2
85.02911	0.4
89.03922	1.8
90.04702	4.5
91.04963	0.3
91.05483	4.8
91.06007	0.4
92.02636	1.2
93.07038	0.3
94.04195	0.5
95.04974	3.8
96.05248	0.2
98.06080	0.2
102.04711	1.0
102.05325	0.2
103.05472	30.0
104.05801	0.7
105.04591	1.8
105.07033	100.0
106.07357	3.2
107.04978	1.2
115.05458	30.1
116.05756	1.2
117.03341	0.2
117.07021	0.3
118.04163	22.6
119.04507	0.9
119.08592	2.7
125.78403	0.2
130.04105	0.2
131.04929	4.8
132.05725	1.4
133.06494	42.6
133.10114	1.0
134.06830	1.6
143.04930	0.3
143.06042	5.0
143.08582	0.3
144.06528	0.3
146.03613	0.9
147.04376	0.3
149.05981	0.3
154.45218	0.2
161.05975	8.2
161.07066	0.6
161.09589	1.8
161.13263	1.7
162.05437	0.3
162.07645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.21915	0.3
51.02373	0.6
53.03948	2.8
55.01628	0.4
55.01874	4.8
55.05508	0.7
60.04519	0.3
65.03938	0.7
66.04719	2.2
67.05499	0.7
69.03450	0.4
69.07068	0.6
69.39193	1.8
73.02901	0.3
77.03910	1.5
79.05492	21.6
80.05824	0.8
81.03403	0.4
81.07047	0.8
84.04492	0.5
89.03926	1.3
90.04712	4.0
91.05484	7.4
92.02605	1.0
93.07045	0.8
94.04208	0.5
95.04967	4.1
97.02865	0.4
102.04695	0.8
102.96877	0.3
103.05471	25.2
104.05800	0.9
105.03472	0.6
105.04613	1.6
105.07030	100.0
106.07362	4.1
107.04957	1.2
107.08611	0.4
111.41917	0.3
115.05456	29.4
116.04926	0.7
116.05803	1.2
117.07001	1.3
118.04161	21.8
118.06538	0.7
119.01871	0.3
119.04440	0.5
119.05057	0.3
119.08569	7.5
121.06499	0.5
124.45673	0.2
128.06216	0.9
130.04167	0.4
131.04919	5.5
131.08556	1.0
132.05807	1.4
132.06538	0.3
133.06491	44.4
133.08522	0.9
133.10115	4.7
134.06854	1.7
134.10471	0.3
137.02988	0.3
143.04961	0.4
143.06039	5.1
143.08566	1.2
144.06511	0.4
146.03647	1.7
146.07259	1.2
147.04384	0.7
147.70537	0.3
155.51894	0.3
161.05977	13.1
161.07056	0.6
161.08015	0.9
161.09595	6.8
161.10878	0.6
161.13258	4.9
162.03198	0.3
162.05424	2.1
162.06558	0.3
162.10023	0.3
176.09003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03947	2.9
55.01877	4.7
56.45842	0.4
57.14641	0.3
64.35293	0.4
65.03935	0.5
66.04721	2.3
69.26854	1.5
69.27251	0.6
77.03920	1.6
79.05495	21.3
80.05821	0.6
89.03921	1.6
90.04705	4.5
90.26462	0.3
91.05490	4.4
92.02628	0.8
95.04959	4.2
96.60275	0.3
98.23376	0.8
102.04688	0.7
103.05474	28.4
104.05746	0.8
105.04518	1.4
105.07033	100.0
106.07359	3.8
107.04967	1.0
115.05457	31.9
116.05777	1.4
118.04164	21.2
119.04487	0.7
131.04929	5.6
132.05702	1.3
133.06494	50.4
134.06802	1.8
143.04993	0.7
143.06041	5.5
146.03638	0.6
161.05984	10.2
161.06947	0.4
162.06393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03955	2.9
55.01874	5.1
55.05503	1.2
65.03929	0.4
66.04726	1.5
66.63725	0.3
67.05492	0.5
69.03431	0.3
69.07069	1.1
70.70610	0.6
71.21449	0.3
77.03931	1.0
79.05496	21.3
80.05833	0.6
81.03419	0.5
81.07063	1.2
89.03929	1.1
90.04706	3.8
91.05486	9.6
92.02627	1.4
93.07064	1.7
95.04418	0.5
95.04972	3.6
97.02883	0.4
102.04688	1.3
103.05472	25.6
104.05791	1.1
104.77285	0.3
105.04536	1.4
105.07032	100.0
106.07366	4.9
107.04969	1.3
107.08578	0.7
115.05457	27.8
116.05769	0.8
117.07018	2.0
118.04166	18.5
119.05014	0.5
119.08582	13.1
121.06519	0.6
121.10189	0.6
128.06244	1.3
130.04173	1.1
131.04919	4.6
131.08621	1.6
132.05696	1.4
133.06494	46.2
133.10130	8.5
134.06845	1.8
138.30405	0.3
143.04996	0.6
143.06030	5.1
143.08546	1.3
146.03642	2.5
146.07260	0.8
147.04382	2.0
161.05986	12.3
161.09605	5.4
161.10905	0.5
161.13264	9.6
162.06609	1.1
162.13576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.46819	0.4
50.79454	0.4
51.02382	0.4
53.03951	2.8
55.01872	5.2
55.05516	0.6
64.46886	0.4
65.03941	0.8
66.04725	1.4
69.89166	0.6
70.67047	0.6
70.67361	0.9
77.03922	1.5
79.05498	23.1
79.05965	1.1
81.03414	0.5
81.07047	1.4
82.11378	0.4
89.03939	1.3
90.04707	3.9
91.05489	6.6
92.02612	0.9
95.04979	2.8
102.04690	1.5
103.05475	24.9
104.05756	0.7
105.04544	1.2
105.07034	100.0
106.07365	3.5
107.04954	1.1
115.05458	28.5
116.05792	1.3
117.07004	0.6
118.04165	22.0
118.05016	1.1
119.08591	6.2
120.08923	0.7
120.29898	0.5
131.04932	5.2
132.05716	0.7
133.06497	42.2
133.10114	3.6
134.06841	2.1
143.04968	1.0
143.06015	5.0
143.08556	0.7
146.03619	1.0
161.06001	10.5
161.07205	0.9
161.09601	2.3
161.13278	4.4
173.29883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02377	0.5
53.03948	3.4
55.01875	5.5
66.04723	2.0
70.93234	0.5
75.28124	0.3
77.03929	1.3
79.05496	22.8
80.05848	0.3
81.03413	0.6
82.17470	0.3
89.03912	1.4
90.04714	4.4
91.05484	4.7
92.02634	1.1
94.04226	0.6
95.04977	3.4
102.04694	0.5
103.05473	26.7
104.05756	0.6
105.04585	1.7
105.07033	100.0
106.07368	3.4
107.04959	1.3
115.05458	30.0
116.05811	0.9
117.07009	0.4
118.04165	21.6
119.04452	0.5
119.07819	0.4
119.08558	2.6
121.06445	0.3
131.04027	0.3
131.04942	5.1
131.08580	0.5
132.05722	1.6
133.06494	45.6
133.10161	1.5
134.06842	2.1
143.06038	5.7
143.08592	0.4
146.03600	1.0
146.07216	0.7
161.05980	8.6
161.06976	0.3
161.09633	1.7
161.13243	1.7
164.94179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03950	1.9
53.96160	0.9
55.05502	3.9
56.05029	2.0
60.04533	1.8
60.53252	0.8
64.63718	0.8
65.77892	0.8
67.05180	1.5
67.05509	19.1
69.03432	2.3
69.06017	3.3
69.06448	5.1
69.07086	4.9
69.23064	0.8
70.06586	1.5
72.04539	2.0
74.06089	1.7
79.05499	31.8
80.35204	0.8
81.06585	1.3
81.07061	28.0
82.07386	1.0
84.04500	3.4
85.02917	2.0
91.05484	36.1
92.05816	1.3
93.07046	14.8
94.06445	0.9
95.08618	12.0
97.01186	0.8
97.02887	3.4
98.06063	1.9
103.05453	2.2
105.07037	51.6
106.07366	1.5
107.08586	4.1
114.05463	1.5
117.07026	3.5
119.08589	63.7
120.08871	1.4
126.05520	1.2
128.06221	1.8
131.08542	4.4
133.06454	1.3
133.07535	1.1
133.10138	41.6
134.05977	1.4
134.10457	2.3
143.08511	2.4
144.06557	2.1
145.62448	0.9
146.07291	1.9
159.11711	2.7
161.06024	1.4
161.07167	6.6
161.09654	9.9
161.13269	100.0
162.05487	2.1
162.07603	3.0
162.09013	1.8
162.13618	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03952	2.5
55.01873	3.2
55.05518	4.8
59.08017	0.4
59.26263	0.4
63.20985	0.4
65.03933	0.6
66.04726	1.4
67.05505	1.9
69.00392	3.7
69.03432	0.9
69.07072	4.6
72.53451	0.4
73.18923	0.4
74.06076	0.4
77.03934	0.7
79.05498	18.3
81.07055	4.7
89.03912	0.9
90.04714	3.3
91.05479	12.4
92.05804	0.5
93.07045	5.2
95.04984	3.6
95.08620	0.7
97.02866	0.6
102.04695	1.2
102.96877	0.5
103.05474	19.3
104.05748	0.6
105.04545	1.2
105.07034	100.0
106.07347	5.1
107.04958	1.4
107.08591	2.2
115.05453	22.7
116.05725	0.8
117.07010	2.8
117.98348	0.4
118.04168	14.9
119.08583	44.9
120.08932	1.7
121.06561	0.5
121.10146	1.7
128.06239	1.5
130.04153	0.5
131.04948	4.5
131.08577	4.8
132.05725	1.3
132.09341	0.7
133.06496	33.6
133.10130	23.2
134.06828	1.8
134.10468	1.1
143.04988	0.7
143.06013	4.0
143.08510	2.0
144.09294	0.6
145.10167	0.8
146.03651	1.7
146.07266	1.6
146.10945	1.9
147.04425	0.9
159.11710	1.6
161.04649	0.3
161.05977	10.4
161.07077	0.9
161.09631	9.1
161.13263	33.6
162.13620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	0.5
55.05506	1.6
60.07439	0.4
61.03976	0.4
62.70624	0.3
63.40395	0.4
65.49004	0.3
67.05502	0.9
69.07075	1.9
69.97700	1.4
79.05494	2.8
81.07065	2.8
88.83575	0.3
91.05482	9.8
92.05842	0.4
93.06527	0.3
93.07012	1.9
95.04964	0.4
95.08624	0.7
95.24837	0.3
103.05463	2.1
104.06244	0.5
105.07035	35.0
106.07368	1.3
107.08573	0.5
115.05446	2.1
117.07020	2.3
118.04164	1.1
119.08585	100.0
120.08898	4.1
121.10147	1.0
128.06299	0.3
131.04935	0.5
131.08566	1.6
133.06488	2.1
133.10135	12.6
134.10509	0.5
140.84175	0.4
145.10150	0.6
146.07220	0.4
154.43541	0.4
156.83044	0.4
159.11699	0.8
161.05965	0.7
161.07167	0.8
161.09636	1.8
161.13271	20.2
162.05449	0.4
162.13622	1.1
181.68518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.01864	0.5
55.05515	1.2
55.25431	0.2
63.37791	0.2
65.03926	0.3
67.05496	0.6
69.07066	1.3
70.83546	0.4
77.03934	0.3
79.05496	3.2
81.07071	1.8
87.61195	0.2
90.04761	0.2
91.05481	8.2
92.05811	0.4
93.07040	1.8
95.04961	0.5
103.05472	2.6
104.06261	0.6
105.07034	25.8
106.07372	1.4
107.08586	0.4
112.68689	0.2
115.05473	3.0
117.07024	2.5
118.04160	1.6
119.08582	100.0
120.08901	3.4
120.23938	0.2
121.10168	0.4
128.06215	0.4
131.04929	0.5
131.08553	1.0
133.06497	3.4
133.10133	10.0
134.10489	0.5
143.06105	0.2
145.10147	0.3
146.03687	0.6
146.07304	0.3
146.10878	0.7
159.11722	0.6
161.05974	1.5
161.07178	0.4
161.09615	2.9
161.13269	14.2
162.05478	0.3
162.13594	1.0
170.80350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03946	4.3
55.01871	2.9
55.05512	4.2
57.03434	1.3
57.07078	0.9
59.36853	0.5
59.44411	0.6
61.02941	0.7
62.01578	0.9
63.02383	2.0
63.68184	0.5
65.03941	1.7
65.61389	0.6
67.05495	2.7
69.03432	4.9
69.07069	7.8
71.04990	0.6
72.08157	1.2
73.02921	0.6
77.03938	1.5
78.95250	0.5
79.05497	23.6
81.03411	1.7
81.07053	6.8
83.04991	1.1
83.08611	2.9
85.02920	6.4
89.03921	64.7
90.04248	2.2
91.05479	12.5
92.02599	0.8
92.06322	0.7
93.07048	17.9
95.01350	0.6
95.04980	5.4
95.08611	6.9
97.02911	1.8
103.05471	40.3
104.05820	1.1
105.03389	2.1
105.04518	1.5
105.07032	11.4
106.06592	1.0
107.04957	19.7
107.08599	32.0
108.08154	1.1
108.08858	0.7
109.06541	1.0
109.10162	0.6
114.41488	0.5
115.05464	1.3
117.03384	54.1
117.07014	6.1
118.03721	2.1
118.06493	0.8
119.04936	1.3
119.05970	0.7
119.08577	5.0
120.02061	0.7
121.00795	0.6
121.02885	0.8
121.06508	4.1
121.10148	21.3
122.05990	0.8
123.08103	1.3
130.06548	1.6
130.07779	2.8
131.04932	38.8
132.02101	2.6
132.05287	1.4
132.08087	1.8
133.02847	2.8
135.04420	85.5
135.08044	5.5
135.11700	11.1
136.04747	3.8
136.07571	3.7
143.08539	1.1
145.02855	39.7
145.06485	1.4
145.10124	10.1
146.03191	1.3
147.04453	0.9
148.05185	1.1
148.08818	1.3
163.03908	100.0
163.07542	17.3
163.11180	23.4
163.12253	1.2
163.14819	12.3
164.04268	5.1
164.06934	3.0
164.11644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
51.02375	0.6
52.53018	0.5
53.03944	2.7
54.17417	0.5
55.01888	0.5
62.01592	0.6
63.02379	2.2
69.23475	1.5
69.23882	1.7
76.34290	0.5
77.03943	0.7
79.05495	11.1
89.03919	79.9
90.04257	2.6
91.05502	0.6
92.39840	0.5
95.04959	2.3
103.05459	1.9
105.04507	0.6
107.03836	0.5
107.04955	14.7
117.03380	63.3
118.03728	2.8
131.04932	2.2
134.03616	0.5
134.40569	0.5
135.04419	100.0
136.04733	4.2
145.02856	41.5
145.03888	2.1
146.03217	2.1
163.03908	68.7
164.04260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.07994	0.4
53.00294	0.7
53.03946	1.9
55.01882	0.8
63.02361	2.2
69.03432	0.5
69.35250	0.6
69.35661	1.6
77.03934	1.0
79.05492	11.1
81.07064	2.2
84.36348	0.4
85.02895	0.7
89.03918	73.4
90.04247	2.6
91.05495	1.2
95.04967	2.9
98.22615	0.9
98.64952	0.4
99.08121	0.9
103.05466	13.3
105.03402	0.9
105.04516	1.0
107.04958	13.6
108.05287	0.6
109.06517	1.9
109.07171	0.4
115.45446	0.5
117.03381	60.5
117.09124	0.8
118.03724	1.8
124.12019	0.5
127.07603	0.6
131.04933	15.5
131.05925	0.8
133.02881	0.6
135.04414	100.0
136.04753	3.3
136.07631	0.5
145.02850	40.8
145.03867	1.7
146.03156	1.5
163.03905	77.3
163.07562	5.1
164.04250	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	2.7
55.01874	0.7
63.02381	2.1
65.03953	0.6
69.07051	0.6
70.24701	1.3
72.08161	0.7
77.03934	1.0
78.95291	0.6
79.05057	1.0
79.05492	12.4
81.03426	0.9
81.07060	1.1
82.41733	0.5
85.02926	0.6
89.03919	79.6
90.04250	2.4
91.05489	2.2
93.07040	1.6
93.41441	0.5
95.04945	2.8
95.08614	0.6
103.04787	0.8
103.05472	16.9
104.06352	0.7
105.03415	0.8
105.04526	0.9
105.07018	1.3
107.04961	15.4
107.08589	3.9
117.03381	64.8
117.06993	1.7
118.03730	2.5
121.10146	2.4
131.04939	7.2
132.02095	2.1
133.02911	0.7
135.04417	100.0
135.11671	1.4
136.04779	3.1
136.07594	0.8
145.02856	41.9
145.03900	1.9
145.06441	0.8
145.10150	0.8
146.03209	1.8
163.03906	98.1
163.07428	3.1
163.11133	1.4
163.12340	0.7
163.14778	0.7
164.04256	3.8
174.81531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0601
Annotation	2-Deoxy-scyllo-inosose
Peak:m/z	Relative Intensity
53.03705	1.2
53.03943	6.6
55.01632	2.2
55.01875	26.2
57.03443	25.1
60.08161	2.7
61.02932	13.7
61.08474	1.1
63.02405	1.2
69.03435	76.8
70.32884	2.3
71.01347	2.7
71.04990	2.7
73.02613	1.1
73.02927	11.3
75.62460	1.4
76.43125	1.3
79.05510	8.1
80.05060	1.3
81.03413	6.5
82.06603	1.3
83.01350	2.3
85.02911	100.0
86.03255	3.3
87.04491	1.4
89.03925	35.5
89.04479	2.0
91.03979	2.0
95.04969	5.5
97.02903	22.2
99.04459	12.2
101.02397	14.9
101.78590	1.2
103.00625	2.8
103.03971	6.4
103.05476	4.6
104.04292	3.7
105.03363	3.5
105.04504	1.5
106.06493	1.2
107.04948	9.8
109.02885	4.6
115.03957	1.7
116.65192	1.1
117.03389	27.7
121.01675	7.0
121.02419	1.2
127.03925	21.1
130.06488	2.0
131.04921	4.5
133.02861	8.3
135.04427	56.0
136.04753	1.9
139.02742	1.3
145.02856	15.5
153.62007	1.1
163.03915	59.1
163.07539	3.2
163.08710	3.6
163.11519	6.9
164.04326	3.3
164.07089	3.0
183.61659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.5
54.63715	0.8
55.01875	7.3
55.81073	0.8
56.96565	10.6
57.03439	10.9
59.05018	0.9
60.95848	2.7
61.02652	1.3
61.02934	18.8
63.92943	2.1
65.03934	1.5
67.05489	3.5
69.03435	41.4
69.10077	0.8
69.18698	1.4
69.19110	4.0
70.03761	1.0
71.01338	2.2
71.04992	2.6
71.95227	1.2
72.07807	0.9
72.08163	8.9
73.02932	8.2
77.03939	1.0
78.77048	0.8
78.95271	3.9
79.05494	8.0
81.03425	12.8
81.07071	1.4
83.01363	1.2
84.08131	3.7
84.96035	1.3
85.02910	100.0
85.06526	1.8
86.03265	1.9
87.04472	4.2
89.03403	1.5
89.03922	25.0
89.18719	0.8
91.03939	1.7
91.05483	2.9
92.02641	0.9
93.07030	2.1
95.04948	4.3
97.02900	22.9
98.97586	9.8
99.04446	4.9
101.02423	1.6
102.96877	11.8
103.00629	3.5
103.03940	1.0
103.05504	5.9
105.03400	2.6
105.04549	1.1
105.07036	1.0
106.06546	3.0
107.04972	8.9
107.08604	1.7
109.02876	6.3
110.97585	1.6
115.03943	1.1
115.05442	1.5
115.79315	0.8
116.98622	5.1
117.03391	17.6
117.05743	2.5
117.07006	1.9
119.01849	0.9
119.05006	0.9
119.97880	2.3
120.97917	7.7
121.00822	1.6
121.01668	11.5
122.94212	1.0
127.03909	7.5
128.10724	0.9
128.98627	1.7
130.06534	4.8
131.04947	7.7
132.08096	7.2
133.02838	6.3
133.07622	2.3
134.99658	1.6
135.04424	40.2
135.08034	2.3
136.04774	1.8
136.07626	1.0
138.98973	2.8
139.01775	1.5
139.02727	3.0
140.95229	2.1
141.02242	2.4
145.02844	12.2
145.03952	1.3
145.05037	1.1
145.06514	1.5
145.07593	2.5
152.04108	1.4
158.96323	3.2
158.99670	1.0
159.03291	4.4
161.04607	1.8
163.03911	47.3
163.07513	5.0
163.08690	11.5
163.12343	3.8
164.04216	2.6
164.07025	1.9
164.09143	1.0
170.93378	0.9
177.04257	0.9
181.02931	1.6
183.03107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02405	0.4
53.03945	1.2
57.76946	0.4
63.43682	0.3
69.50954	0.3
70.68288	0.7
77.03924	0.8
77.25608	0.3
79.05494	2.2
82.33531	0.3
83.36794	0.4
85.11921	0.3
89.03905	1.6
89.76883	0.3
91.05492	1.0
91.96071	0.3
93.07028	0.6
93.62055	0.4
95.04965	1.6
102.04709	0.7
103.05473	99.9
104.05817	3.5
105.03440	1.0
105.04496	0.8
105.07058	1.0
107.04958	4.1
107.08607	0.7
109.06540	0.3
114.19807	0.3
115.05478	0.9
117.03401	1.0
117.07024	1.2
119.04933	0.7
119.08655	0.4
131.04933	100.0
132.05252	3.3
133.02869	1.4
135.04427	2.3
135.08043	1.7
144.97247	0.4
145.02875	0.7
145.10141	0.4
148.04749	1.7
163.03897	3.0
163.07549	24.4
163.11200	1.1
164.07899	1.5
169.83311	0.3
177.81439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02400	0.5
53.03944	2.0
55.01873	1.5
55.05509	1.7
57.17620	0.5
58.30788	0.4
63.02342	0.4
63.97532	0.4
65.03960	0.6
65.91511	0.4
67.03283	0.4
67.05509	4.0
67.60326	0.4
69.03433	2.6
69.07080	3.2
69.20179	2.7
69.86121	0.4
71.05000	0.5
71.09018	0.4
77.03936	1.3
79.05492	8.7
81.07053	3.0
83.08622	0.7
89.03910	3.7
91.05479	7.0
93.03374	0.5
93.07049	13.0
95.04981	3.5
95.08606	2.6
97.06530	0.6
103.05473	96.3
104.05793	3.2
105.03383	0.6
105.04495	1.2
105.07025	8.3
107.04955	9.1
107.08598	20.9
109.06506	1.0
115.05475	1.6
115.82962	0.4
117.03365	2.5
117.07011	4.2
119.04969	0.6
119.08587	4.1
120.05747	0.9
120.09394	0.6
121.06510	2.5
121.09292	0.8
121.10146	9.2
122.59373	0.4
130.06575	0.7
130.07794	2.2
131.04933	100.0
132.05251	3.9
132.05907	0.4
132.08061	0.5
133.02852	1.4
135.04439	5.9
135.08073	3.4
135.11700	12.3
136.07585	1.6
145.02866	1.5
145.06526	1.0
145.10136	7.7
148.04990	0.6
163.03926	9.1
163.07552	29.1
163.11188	14.0
163.12254	0.5
163.14851	4.6
164.07968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57785	0.7
53.03945	6.6
54.86718	0.8
55.01865	2.3
55.05508	2.3
57.03432	4.8
59.04973	0.8
61.02924	1.5
61.78372	0.7
62.37139	0.7
63.02373	2.3
65.03939	1.8
67.05502	2.4
69.03424	5.4
69.07054	2.6
69.26491	4.9
71.04986	2.8
71.08615	2.7
71.83953	0.7
72.08156	2.1
74.67120	0.7
77.03929	2.1
77.75851	0.9
79.05064	1.4
79.05495	20.8
80.05866	0.8
81.03404	3.0
81.07054	19.1
83.04961	0.8
84.08112	1.1
85.02900	7.6
85.06531	2.1
89.03917	74.9
89.23936	0.8
90.04208	1.9
91.05479	8.6
92.02615	1.4
93.07034	7.6
95.04968	9.3
95.08597	2.2
97.02900	1.6
97.50207	0.8
99.08101	7.2
102.28105	0.8
103.05467	96.7
104.05807	4.0
105.03379	2.7
105.04509	3.0
105.07024	6.2
106.06588	1.5
107.04954	21.2
107.08595	8.9
108.08168	1.0
109.06517	12.5
115.05434	2.9
117.03379	58.6
117.07010	7.1
117.09120	4.5
118.03712	3.5
119.04932	2.5
119.08569	2.6
121.06555	4.5
121.10155	5.0
127.07542	4.8
130.06531	1.3
130.07813	2.0
131.04926	91.2
132.02060	1.4
132.05278	3.2
132.08076	1.9
133.02908	4.1
133.06447	0.8
135.04413	100.0
135.08022	4.1
135.11679	2.8
136.04759	6.1
136.07574	3.4
145.02847	41.1
145.06497	3.7
145.10060	3.8
146.03185	1.8
147.04361	1.0
148.05180	1.2
150.46158	0.8
155.37732	0.8
163.03905	95.4
163.07523	29.1
163.11177	8.7
163.12347	1.6
163.14812	2.7
164.04286	6.6
164.07086	3.2
173.03268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03945	5.3
55.01875	2.0
55.05519	1.6
57.03442	5.4
59.05014	1.3
61.02940	1.3
63.02076	0.6
63.02388	2.7
65.03945	1.5
67.05507	1.6
68.99792	0.8
69.03438	4.2
69.07075	2.6
70.41823	0.7
70.76305	1.2
71.05000	2.4
71.08649	3.5
72.08142	0.9
77.03925	2.2
79.05498	19.9
81.03427	1.0
81.07057	16.6
82.07362	0.8
85.02905	6.2
85.06517	1.5
89.03922	74.7
90.04240	3.6
91.05488	7.9
92.02611	0.9
93.07057	7.0
95.04971	6.4
95.08630	1.7
97.02892	0.7
99.08109	6.0
103.05474	55.5
104.05826	2.0
105.03398	3.5
105.04527	2.1
105.07036	5.9
107.04960	18.0
107.08592	9.8
108.05338	1.0
108.08134	0.6
109.06517	11.0
115.05473	1.9
117.03386	57.1
117.07027	5.3
117.09144	6.3
118.03740	3.4
119.04936	1.5
119.08594	2.2
121.02867	0.9
121.06519	2.6
121.10139	5.4
127.07545	4.7
130.06537	1.9
130.07808	1.8
131.04933	56.8
132.02049	1.7
132.05310	2.7
132.08116	1.4
133.02879	3.8
135.04422	100.0
135.08080	2.8
135.11710	2.0
136.04758	5.4
136.07526	3.2
145.02858	35.4
145.03882	1.5
145.06497	2.9
145.10106	4.1
146.03210	2.1
148.05173	1.3
154.47276	0.7
163.03914	86.9
163.07544	22.0
163.11148	9.4
163.12314	1.2
163.14850	2.1
164.04277	6.6
164.07068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02378	0.9
53.03952	5.5
55.01879	4.8
55.05520	5.4
57.03427	2.4
65.03937	1.9
67.05502	4.9
69.03432	10.9
69.07064	6.4
70.55734	2.4
71.04985	2.5
73.26043	0.8
75.97527	0.9
77.03936	2.0
79.05060	1.6
79.05495	22.0
79.90852	0.7
80.05804	1.0
81.03440	1.4
81.07055	15.9
83.04970	3.3
83.08608	0.9
84.08131	0.8
85.02913	2.3
89.03932	5.5
91.05478	24.0
92.05804	0.9
93.07043	32.1
94.07408	1.3
95.04979	10.3
95.08613	4.4
103.05470	100.0
104.05795	4.2
105.03393	2.4
105.04488	2.3
105.07030	28.1
106.07288	1.0
107.04954	10.0
107.08592	38.5
108.08923	1.5
109.06507	2.3
111.84206	0.8
115.05436	4.1
117.03378	6.2
117.07008	14.4
118.07353	0.7
119.04939	1.0
119.08580	17.9
120.05759	1.1
121.06519	12.5
121.10146	35.5
122.10451	1.1
123.08075	1.7
128.06184	0.9
129.06996	2.7
130.06441	1.0
130.06732	1.0
130.07790	11.2
131.04929	91.0
132.05235	4.4
132.08032	1.4
133.02856	6.6
133.06439	2.7
133.07463	1.0
133.10127	1.6
135.04420	12.8
135.07162	1.3
135.08058	7.1
135.11682	16.5
136.04776	0.8
136.07574	3.0
143.08553	2.5
144.42383	0.9
145.02864	3.0
145.06474	2.7
145.10124	38.4
146.10443	1.5
147.08057	1.1
148.05063	1.7
148.08836	4.0
149.02316	1.5
163.03900	22.8
163.07536	31.2
163.11182	71.3
163.14832	3.4
164.04314	2.3
164.06924	1.5
164.11522	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03757	0.3
53.03951	4.0
54.55015	0.4
55.01865	2.3
55.05517	2.6
57.03423	0.5
65.03943	0.7
67.05505	4.6
67.14079	0.3
68.99799	0.6
69.03413	1.9
69.07066	3.2
70.23092	1.2
72.04506	0.5
72.08143	0.5
77.03910	1.0
79.05494	14.8
80.05023	0.7
80.05804	0.6
81.02982	0.7
81.03422	7.4
81.07056	6.3
83.04988	0.5
83.08614	1.1
84.08150	0.8
85.02914	1.4
89.03902	1.2
91.04907	0.4
91.05479	8.3
92.02613	1.0
92.05786	0.4
93.03374	0.4
93.07049	15.4
93.07632	0.9
94.07384	0.5
95.04980	6.2
95.08614	3.9
97.02857	0.5
97.06523	0.5
103.05477	8.2
105.03401	3.4
105.04524	1.8
105.07028	5.9
106.06541	2.4
107.04955	8.3
107.08595	14.1
109.06519	0.8
109.10194	0.4
112.02174	0.3
115.05434	1.0
117.03383	0.6
117.05719	2.0
117.07001	4.3
118.06534	0.6
119.04955	1.7
119.08573	3.5
120.05676	1.1
120.08113	1.0
121.06514	8.6
121.10143	7.9
122.09653	0.8
122.10484	0.4
130.06531	5.0
130.07773	1.3
131.04930	8.3
132.05315	0.6
132.08092	5.5
132.43480	0.4
133.02855	7.2
133.06462	0.5
134.07292	0.6
135.04424	8.6
135.05426	0.3
135.07199	0.4
135.08055	2.2
135.09157	0.7
135.11690	3.8
136.07614	1.1
139.98311	0.5
143.08586	0.7
145.02850	0.5
145.06479	0.9
145.07584	0.5
145.10132	4.8
146.10483	0.5
148.05159	0.6
148.08821	0.6
149.02353	0.9
163.03909	25.9
163.07552	4.7
163.11179	100.0
163.12233	3.7
163.14827	5.8
164.04301	1.3
164.07050	2.3
164.11653	4.1
165.40900	0.4
170.84738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02358	0.8
53.03948	4.1
55.01875	1.7
55.05511	13.1
56.08967	0.8
57.07075	2.2
59.89056	0.7
61.02933	4.4
65.03932	2.2
67.05507	32.1
67.14027	0.7
69.03432	2.2
69.07069	17.9
71.30135	1.2
71.45190	0.9
73.02914	1.3
77.03930	1.6
79.05495	79.9
80.05005	1.8
80.05831	2.8
81.03403	1.5
81.07059	59.8
82.07384	1.6
83.04985	1.0
83.08621	11.7
84.08141	1.2
85.02431	0.8
85.02892	4.5
88.50732	0.7
88.60725	0.9
91.03969	1.2
91.05486	22.9
91.06072	1.1
92.05801	0.8
93.07047	93.2
94.07375	3.1
95.04961	9.1
95.08607	60.0
96.08940	3.0
97.10169	1.8
103.05463	1.6
105.03397	2.9
105.04501	2.5
105.07037	9.4
106.06567	3.7
107.04955	1.4
107.08596	83.3
108.08906	2.4
109.06505	1.3
109.10155	4.3
114.74072	1.0
115.05442	1.2
117.05747	3.9
117.07016	3.5
119.04957	1.0
119.06044	0.9
119.08569	7.6
121.06474	1.2
121.10145	100.0
122.09689	1.6
122.10484	5.2
123.39329	0.8
127.70505	0.8
130.06520	8.0
130.07759	1.6
132.08090	11.0
133.02852	3.2
133.10094	1.4
135.04416	3.5
135.08095	1.4
135.11678	14.4
136.07614	1.1
145.10118	6.0
163.03886	10.3
163.05023	0.9
163.07423	1.3
163.08725	1.8
163.11183	26.4
163.12387	5.1
163.14821	75.6
164.04381	1.5
164.07060	3.6
164.11636	1.5
164.15227	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02380	1.4
52.92416	1.3
53.03944	6.2
55.01876	2.4
55.05514	13.0
57.07080	1.4
65.03931	2.3
67.05505	35.3
68.05019	1.6
69.03418	2.7
69.07072	18.1
70.92842	2.4
77.03902	1.8
79.05496	76.9
80.05013	2.6
80.05819	2.9
81.07059	55.9
82.07362	2.8
83.08621	8.9
84.08117	2.9
84.86417	1.4
91.05484	26.9
92.05779	1.7
93.07047	89.1
94.07383	2.6
95.04972	18.3
95.08610	51.3
96.08943	2.2
103.05478	3.3
105.03393	5.7
105.04546	2.8
105.07031	17.7
106.06570	8.8
107.04939	1.6
107.08596	86.1
107.14030	1.1
108.08910	4.0
109.06500	2.8
109.10151	4.8
117.05759	5.4
117.07001	5.2
118.06583	1.9
119.04985	2.2
119.06082	2.3
119.08588	9.5
120.08128	3.8
121.06518	6.1
121.10149	100.0
122.06055	1.6
122.09669	2.7
122.10500	4.2
129.07091	1.4
130.06532	14.7
130.07658	2.8
131.04988	2.7
132.08090	14.3
133.02855	4.7
133.06453	2.1
135.04427	4.0
135.08044	3.2
135.11674	14.4
136.07571	2.2
140.03493	1.4
145.10135	14.5
163.03908	17.3
163.07512	3.6
163.08719	6.0
163.11165	51.9
163.12352	9.9
163.14828	68.2
164.06990	9.0
164.10510	1.9
164.11676	2.5
164.15195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03941	1.6
54.03474	8.0
54.45297	0.6
55.03827	0.6
55.05511	5.4
57.07078	0.9
57.50606	0.6
65.03950	0.9
67.05506	3.7
69.03423	1.4
69.07071	19.8
79.05494	14.4
80.05038	0.9
80.05822	0.8
81.04540	4.7
81.07054	22.8
83.04961	0.9
83.08621	4.7
88.21984	0.8
91.05479	11.5
93.07040	36.9
94.07350	1.5
95.04959	6.9
95.08609	19.3
96.08929	1.0
98.23456	1.2
103.05437	1.1
105.03403	1.8
105.04489	1.1
105.07030	8.0
106.06596	1.2
106.07304	0.8
107.08594	100.0
108.08885	3.9
109.06487	2.2
109.10139	1.6
117.05754	1.0
117.07022	1.8
119.06040	1.7
119.08583	4.0
120.08104	0.9
121.06512	2.0
121.10145	26.2
122.07162	5.2
122.09660	0.8
122.10478	1.7
129.31909	0.7
130.06517	2.1
130.07773	2.2
132.08089	2.7
135.04382	1.0
135.07993	0.9
135.11691	11.0
140.08189	1.1
145.10124	5.6
146.16637	0.7
163.03854	3.1
163.05008	0.7
163.08662	1.3
163.09801	3.7
163.11169	18.4
163.12325	1.1
163.14816	36.5
164.07085	2.0
164.15147	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03935	4.9
55.01874	2.2
55.05513	14.6
57.07080	1.8
59.50977	1.4
65.03937	3.8
66.92847	1.1
67.05177	2.4
67.05508	31.9
69.03442	2.2
69.07066	18.2
69.81553	4.0
77.03945	1.5
79.05495	82.5
79.82278	1.3
80.05014	3.0
80.05835	3.0
81.07058	61.3
83.08614	9.1
84.08139	2.2
84.12378	1.2
91.05479	24.1
92.05807	1.8
93.07045	94.8
94.07384	3.1
95.04964	12.6
95.08608	58.2
96.08936	1.6
96.65222	1.4
97.06388	1.5
97.10155	2.4
103.05460	2.6
105.03379	6.8
105.04499	2.0
105.07024	12.5
106.06557	9.9
107.04967	1.7
107.08597	86.2
108.08948	3.6
109.06508	2.9
109.10157	5.5
115.05429	1.5
117.05782	7.3
117.06984	3.2
118.06598	2.1
119.04921	2.6
119.06071	1.8
119.08579	8.3
120.08109	2.6
121.06511	4.8
121.10144	100.0
122.06049	1.4
122.09682	2.2
122.10482	4.5
126.16354	1.2
130.06528	17.0
130.07655	2.8
131.04897	1.7
132.08112	15.8
133.02840	4.2
135.04443	3.3
135.08014	2.3
135.11687	16.1
136.07613	1.7
145.10118	8.8
162.22823	1.3
163.03883	13.9
163.04999	1.7
163.07509	2.4
163.08722	3.4
163.11171	36.1
163.12372	10.2
163.14824	75.5
164.07025	6.8
164.10603	1.4
164.15152	4.4
176.08192	1.6
179.61438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	1.8
55.01864	1.1
55.05512	7.3
57.03421	0.6
57.07077	1.3
65.03938	1.2
65.04261	0.3
66.19463	0.3
67.05504	4.3
69.03439	1.8
69.07068	19.0
69.62440	1.4
70.07394	0.4
77.03918	0.9
79.05492	19.3
80.05812	0.5
81.03427	0.5
81.07054	22.0
82.07373	0.8
83.04961	0.4
83.08614	5.0
85.02908	0.8
89.03925	2.4
91.05481	14.6
92.05795	0.6
93.07042	40.0
94.07382	1.7
95.04974	3.5
95.08604	17.6
96.08942	0.6
98.22634	0.5
103.04776	0.7
103.05466	13.2
104.05813	0.6
105.03431	0.5
105.04523	1.0
105.07027	10.9
106.04155	0.5
106.06596	0.4
106.07283	0.4
107.04961	3.0
107.08591	100.0
108.08891	4.1
109.06515	2.4
109.10151	1.1
115.05448	0.9
117.03372	2.1
117.07009	2.7
119.06030	1.6
119.08591	5.0
120.05747	0.4
121.06512	2.0
121.10139	35.7
122.10430	1.6
123.08044	0.8
127.07532	0.6
128.06236	0.5
129.07030	0.4
130.06531	0.7
130.07773	1.6
131.04930	13.8
131.05922	0.8
132.05226	0.8
132.08052	0.6
133.02881	1.3
133.06450	0.9
133.07474	0.5
133.10094	0.8
135.04416	3.6
135.08060	2.3
135.11688	13.5
136.07567	4.6
136.08504	0.4
136.12036	0.6
143.08565	0.6
145.02856	1.1
145.06476	0.4
145.10114	7.2
146.10466	0.7
148.05148	0.6
148.08820	0.7
161.13197	0.3
163.03897	4.4
163.07530	6.7
163.08772	0.6
163.09776	0.7
163.11176	15.8
163.14813	35.2
164.06958	1.5
164.11513	1.1
164.15160	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	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01864	1.1
55.05512	7.3
57.03421	0.6
57.07077	1.3
65.03938	1.2
65.04261	0.3
66.19463	0.3
67.05504	4.3
69.03439	1.8
69.07068	19.0
69.62440	1.4
70.07394	0.4
77.03918	0.9
79.05492	19.3
80.05812	0.5
81.03427	0.5
81.07054	22.0
82.07373	0.8
83.04961	0.4
83.08614	5.0
85.02908	0.8
89.03925	2.4
91.05481	14.6
92.05795	0.6
93.07042	40.0
94.07382	1.7
95.04974	3.5
95.08604	17.6
96.08942	0.6
98.22634	0.5
103.04776	0.7
103.05466	13.2
104.05813	0.6
105.03431	0.5
105.04523	1.0
105.07027	10.9
106.04155	0.5
106.06596	0.4
106.07283	0.4
107.04961	3.0
107.08591	100.0
108.08891	4.1
109.06515	2.4
109.10151	1.1
115.05448	0.9
117.03372	2.1
117.07009	2.7
119.06030	1.6
119.08591	5.0
120.05747	0.4
121.06512	2.0
121.10139	35.7
122.10430	1.6
123.08044	0.8
127.07532	0.6
128.06236	0.5
129.07030	0.4
130.06531	0.7
130.07773	1.6
131.04930	13.8
131.05922	0.8
132.05226	0.8
132.08052	0.6
133.02881	1.3
133.06450	0.9
133.07474	0.5
133.10094	0.8
135.04416	3.6
135.08060	2.3
135.11688	13.5
136.07567	4.6
136.08504	0.4
136.12036	0.6
143.08565	0.6
145.02856	1.1
145.06476	0.4
145.10114	7.2
146.10466	0.7
148.05148	0.6
148.08820	0.7
161.13197	0.3
163.03897	4.4
163.07530	6.7
163.08772	0.6
163.09776	0.7
163.11176	15.8
163.14813	35.2
164.06958	1.5
164.11513	1.1
164.15160	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	164.0707
Annotation	WF 5239
Peak:m/z	Relative Intensity
51.02404	0.3
53.03947	2.6
55.01883	0.3
55.05533	0.5
56.01410	0.1
63.62717	0.1
63.86397	0.1
65.03940	1.0
67.05508	1.3
67.49688	0.1
68.05031	0.1
69.03443	0.2
69.07079	0.3
69.32256	0.2
69.32654	0.4
70.02972	0.4
70.07420	0.1
77.03915	0.9
78.04739	0.1
79.05500	2.0
80.05039	0.6
80.05853	0.3
81.03415	0.6
81.07054	1.8
82.07399	0.3
83.04976	0.1
91.05483	8.9
92.05839	0.4
93.05799	1.3
93.07047	6.3
94.06598	0.7
94.07365	0.6
94.32993	0.1
95.04971	3.5
95.05550	0.2
95.08614	0.9
96.05312	0.2
96.08939	0.2
101.00878	0.3
103.05455	0.3
104.05818	0.5
105.03384	0.2
105.04511	1.5
105.07021	0.9
106.07374	0.3
107.05034	0.2
107.08585	0.9
108.04490	0.9
108.05193	0.2
108.08129	3.7
108.08932	1.1
109.06534	0.5
109.08459	0.2
109.10160	0.3
117.07044	0.1
118.06534	0.3
118.07327	0.2
119.01922	1.0
119.04945	0.4
119.08603	0.9
120.08919	0.2
121.10139	0.5
122.06034	1.6
122.06831	0.1
122.10474	0.6
123.08092	0.6
123.11730	0.2
126.05521	2.9
128.76144	0.1
131.08110	0.2
132.05287	0.8
133.02873	0.2
136.07579	100.0
137.02930	0.2
137.06094	0.2
137.07941	3.5
137.09557	0.3
140.07054	3.3
142.03494	0.6
146.10468	0.5
147.04370	0.2
147.08015	0.1
147.11682	0.4
164.04227	0.4
164.07054	11.4
164.11671	1.0
164.15128	0.5
165.05440	0.3
165.07137	0.8
165.09056	0.7
165.12749	0.8
168.64714	0.1
171.10101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36318	2.2
82.01443	0.6
82.68839	0.3
82.99848	5.2
98.23338	0.5
100.02499	1.0
101.00884	47.8
102.00962	2.6
119.01923	100.0
120.01997	5.6
121.02354	0.5
124.02454	6.9
127.75020	0.4
137.02953	19.4
138.03090	0.7
139.11691	0.4
142.03505	63.3
143.03618	3.4
158.37906	0.4
160.03285	0.8
160.04561	14.0
160.05905	0.7
161.04723	0.9
165.05089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64614	0.9
80.95014	0.4
82.01433	0.6
82.99832	4.5
91.05499	0.7
95.04959	0.7
100.02494	1.1
101.00885	42.7
102.00977	1.6
106.29367	0.4
108.76755	0.4
118.03476	0.4
119.01923	100.0
120.02003	5.5
120.08069	0.9
121.02335	0.7
123.04430	0.8
124.02445	6.8
125.02502	0.4
137.02960	21.5
138.03040	1.6
142.03505	67.1
143.03612	4.2
146.86703	0.5
160.04556	14.3
161.04688	0.9
165.05112	0.6
165.10275	0.5
166.08614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03953	0.9
55.01867	1.1
55.05511	1.5
63.02375	0.3
65.03941	2.4
67.05505	2.8
69.03426	0.9
69.07071	1.0
69.23994	2.0
71.05001	0.3
77.03963	0.3
79.05503	3.5
80.05030	0.3
80.05816	0.4
81.03410	0.9
81.07059	3.8
83.04979	0.8
91.05479	35.0
92.05827	1.4
93.05787	0.3
93.07044	2.6
94.04190	0.6
94.06127	0.8
94.74951	0.3
95.01304	0.4
95.04974	5.3
95.08611	3.0
97.06539	0.6
98.97629	0.3
101.00873	3.6
103.05437	1.7
105.03412	0.5
105.07031	6.9
107.04969	1.0
107.08600	2.2
108.08125	0.4
109.02850	0.5
109.06531	3.0
109.07813	0.3
109.08458	2.0
109.10141	1.8
115.05390	0.4
117.07005	0.7
119.01927	11.9
119.04940	59.8
119.08579	5.4
120.02104	0.5
120.04488	0.6
120.05231	2.0
120.08111	3.3
121.06541	1.5
121.10137	1.2
122.03656	0.5
123.04433	6.2
123.08076	3.6
123.11708	0.8
124.02466	0.4
129.07004	0.4
133.02844	2.0
133.06483	2.2
136.07515	1.0
137.02988	3.1
137.05977	4.3
137.07930	2.4
137.09599	2.4
137.13171	0.4
138.09148	0.6
142.03494	7.2
143.03625	0.5
147.04405	100.0
147.08003	2.1
147.11684	1.4
148.04755	4.2
158.99600	0.3
160.04568	2.0
164.58105	0.3
165.05467	3.9
165.07167	7.6
165.09113	5.9
165.10216	0.3
165.12746	2.7
166.08620	1.0
171.01245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	1.1
55.05513	1.3
57.03446	0.3
63.02390	0.2
65.03938	2.3
66.04688	0.3
67.05503	2.9
69.00797	1.8
69.01209	0.5
69.03436	0.9
69.07065	0.6
73.39276	0.3
74.58931	0.2
79.05486	3.8
81.03418	1.1
81.07059	4.0
83.04993	0.6
91.05481	35.3
92.05807	1.2
93.07059	2.7
94.04195	0.5
95.01324	0.6
95.04979	3.9
95.08610	2.9
96.05313	0.3
97.06555	0.3
101.00875	2.8
103.05466	1.1
105.03387	0.5
105.04514	0.2
105.07037	3.6
107.04925	0.7
107.08598	1.8
109.02864	0.3
109.06522	2.2
109.10142	1.6
110.09688	0.4
115.05453	0.4
117.07009	0.9
119.01929	9.6
119.04942	58.7
119.08581	6.5
120.02033	0.5
120.05251	2.2
120.08092	1.9
120.08862	0.4
121.06506	0.8
121.10149	1.0
122.03647	0.6
122.07262	0.4
123.04424	3.5
123.08070	2.8
123.11703	0.7
129.07018	0.3
132.05582	0.3
133.02849	1.3
133.06525	0.6
135.08026	0.3
136.07596	0.4
137.02960	3.1
137.05978	3.5
137.07919	0.5
137.09616	2.3
137.13190	0.3
138.09108	1.1
139.05414	1.0
142.03505	5.3
143.03587	0.3
147.04407	100.0
147.08026	2.1
147.11707	1.3
148.04752	4.3
150.06740	0.4
160.04527	1.5
165.01814	0.5
165.05455	4.1
165.07007	5.6
165.09099	5.2
165.10414	0.6
165.12759	2.5
166.04980	0.3
166.07426	0.3
166.08649	1.2
168.05699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03948	3.5
55.05520	9.2
56.59509	1.8
57.03442	15.0
57.07075	4.4
61.69546	1.6
62.71676	1.6
67.05508	20.1
69.03401	1.5
69.07060	6.7
70.88004	3.0
71.05013	2.2
74.73905	2.0
79.05495	13.9
81.07058	44.5
82.07362	1.8
91.05494	19.2
93.07065	15.4
95.04965	9.3
95.08607	48.6
101.00890	7.1
103.05482	5.2
105.07034	96.5
106.07343	2.0
107.06081	2.5
107.08611	11.5
109.06538	5.8
109.10153	10.9
117.07006	3.5
119.01923	34.1
119.08584	59.0
120.08121	3.7
120.08917	2.1
121.10147	100.0
122.07185	1.9
122.10454	4.1
123.08071	8.4
123.11712	9.5
124.08733	5.2
125.08232	4.4
133.07622	2.3
133.56381	1.8
137.02963	15.2
137.09633	4.0
137.13258	9.5
138.80830	1.9
142.03514	20.6
143.03635	2.2
144.03473	2.1
145.10120	5.2
147.11693	67.8
148.08685	2.5
148.12024	2.5
160.04553	7.1
165.05107	2.6
165.07829	2.8
165.09064	4.1
165.10272	2.2
165.11464	3.4
165.12762	20.7
166.13176	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03954	1.3
55.05515	8.6
57.03436	13.3
57.07076	3.1
67.05502	10.6
69.05581	6.5
69.06015	5.0
69.07069	5.1
71.04996	2.2
79.05498	13.2
81.03434	1.5
81.07059	33.6
82.07446	1.1
91.05486	23.3
93.07050	17.7
95.04955	5.7
95.08612	39.6
101.00895	3.2
103.05494	3.6
105.07033	100.0
106.07334	2.9
107.08588	7.5
109.06535	4.1
109.10145	9.6
117.07030	4.5
119.01926	14.8
119.08585	74.0
120.08926	2.3
121.10142	98.4
122.10470	5.5
123.08085	9.8
123.11710	8.3
124.08720	1.4
133.07571	1.4
137.03011	3.4
137.09616	2.7
137.13281	9.4
142.03476	9.4
145.10168	3.2
147.11690	63.4
148.12053	3.1
160.04584	3.9
165.09119	2.2
165.11407	1.3
165.12740	20.8
169.63150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
52.75792	0.2
53.03938	0.2
70.33837	0.4
79.05500	1.5
91.05463	1.0
93.07052	2.8
95.04949	0.1
103.05474	13.4
104.05807	0.5
107.04968	2.0
118.06588	0.3
120.08112	100.0
121.08450	3.3
131.04938	2.3
149.05988	0.5
166.08662	0.9
166.09865	0.1
178.03548	0.1
180.64540	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	166.0864
Annotation	5-(3-Pyridyl)-2-hydroxytetrahydrofuran
Peak:m/z	Relative Intensity
53.03937	2.7
55.01864	1.5
55.05227	0.4
55.05513	2.2
57.03429	0.8
65.03927	1.5
67.05507	3.8
68.05018	0.8
68.05827	0.4
69.03418	1.0
69.07047	1.4
69.92184	1.4
70.06592	0.7
71.04978	0.6
77.03916	1.2
78.04725	3.7
79.05494	13.3
79.05959	0.7
80.05017	2.2
80.05815	0.8
81.03405	1.3
81.05782	0.7
81.07069	3.6
82.06590	4.2
82.07360	0.4
83.04993	2.4
83.08625	1.0
91.05477	12.4
92.04979	1.2
92.05809	1.6
93.03391	0.6
93.05807	2.8
93.07041	18.2
94.04201	0.6
94.06562	8.0
94.07246	0.7
94.07354	0.7
95.04974	5.5
95.07353	6.8
95.08593	2.5
96.04489	0.6
96.07571	0.5
96.08136	7.9
97.06539	2.2
98.22573	0.6
103.00625	0.4
103.05463	4.4
105.03385	2.0
105.04512	1.5
105.05719	0.8
105.07008	0.8
106.04182	1.7
106.06562	0.8
106.07339	1.2
107.04962	2.8
107.07323	1.0
107.08601	3.8
108.04500	0.7
108.08118	19.2
108.08806	0.6
109.02872	0.5
109.06519	1.7
109.08938	5.1
109.10104	0.7
110.06046	14.0
110.09695	13.7
110.10453	1.0
110.87442	0.4
111.04436	0.9
111.06393	0.5
111.08067	0.7
111.09998	0.5
115.45216	0.4
118.05598	0.4
118.06535	1.0
119.01935	0.7
119.04956	1.1
119.07310	0.5
120.02029	2.4
120.04443	0.8
120.05302	1.9
120.08106	23.7
120.08844	0.9
121.01662	1.5
121.02856	1.8
121.06515	9.9
121.07510	0.7
121.08418	1.1
121.10143	2.3
122.06025	2.9
123.04432	9.3
123.06807	1.4
123.08087	2.0
124.05218	2.4
124.07613	3.4
125.06001	0.8
125.09582	0.8
131.08531	0.5
134.03564	0.5
135.04411	0.5
136.07582	12.3
137.08359	25.6
138.05501	3.4
138.09161	8.6
138.10165	0.8
139.07547	0.6
143.03622	1.3
144.03267	0.8
147.04352	0.5
148.03758	0.8
148.04868	3.1
148.07533	6.9
149.05998	4.0
149.09630	1.4
151.03859	2.1
151.06325	0.5
152.04680	1.7
152.06163	2.3
165.06982	1.6
166.04919	2.8
166.08630	100.0
167.07048	57.3
167.08636	5.6
167.10696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.07786	0.3
51.02374	0.4
52.03160	0.4
53.03947	1.6
55.05504	0.4
65.03944	0.8
66.04714	1.4
67.05492	1.0
69.07065	0.6
74.15507	0.3
77.03938	0.7
78.04713	18.5
78.30211	0.3
79.05061	0.7
79.05486	4.5
81.03407	1.0
81.07053	1.5
82.04175	0.3
83.04961	0.4
91.05481	1.1
92.82594	0.3
93.03417	0.6
93.07027	0.4
94.04173	1.1
95.04986	2.7
96.05754	0.7
103.00609	0.6
105.03378	0.9
105.04527	0.6
105.58069	0.3
106.04180	7.6
107.04973	3.6
107.08588	0.9
109.02885	1.7
109.06525	0.8
120.02065	0.7
121.01692	1.4
121.02849	0.3
121.06591	0.3
121.10126	0.4
122.03638	1.9
122.06033	0.3
123.04433	30.9
124.05240	9.0
132.57446	0.3
134.03622	1.8
135.04419	1.0
135.66953	0.3
137.02332	0.6
137.05989	1.2
138.03055	0.6
139.02696	0.5
144.03252	1.0
149.02347	0.8
149.07111	0.5
150.03105	0.5
151.03909	6.1
152.04695	7.5
153.07021	0.4
167.07042	100.0
168.04160	0.7
168.07381	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02382	0.5
53.03937	0.9
55.01864	0.3
55.05482	0.4
62.48987	0.3
65.03931	0.7
66.04705	0.7
67.05496	1.3
68.99804	0.4
69.03429	0.6
70.32631	0.6
70.32955	0.4
77.03926	0.8
77.56774	0.3
78.04714	19.9
79.05054	0.7
79.05488	3.3
81.03427	0.8
81.07045	0.5
85.02888	0.4
91.05473	0.7
92.02623	0.4
93.03411	0.8
93.07018	0.4
94.04181	1.5
95.04983	2.8
96.05755	1.1
103.55362	0.3
105.03394	1.3
105.04504	0.9
106.04178	8.4
107.05008	1.8
109.02877	2.1
109.06502	0.4
110.03580	0.3
120.02077	0.5
121.08452	0.5
122.03650	2.0
123.04432	31.3
124.05241	8.4
134.03642	1.5
135.04437	0.6
137.02327	0.9
137.05984	1.3
138.03087	0.4
150.03082	0.4
151.03926	5.6
152.04692	6.5
167.07040	100.0
168.04193	0.6
168.07407	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.4
53.03950	1.4
55.01868	0.7
65.03930	0.5
66.04716	0.5
67.05486	0.7
68.99780	0.3
69.03433	0.4
70.35856	0.4
70.36241	0.5
77.03928	0.8
78.04714	11.4
79.05493	6.3
81.03413	0.3
81.07050	1.2
85.02884	0.2
85.56120	0.2
88.86300	0.2
91.05483	4.1
93.03439	0.4
93.07051	5.1
94.04168	0.9
95.04976	2.4
96.05745	0.8
97.06511	0.4
105.03399	0.9
105.04527	0.8
106.04178	5.8
107.04984	1.7
109.02885	1.3
120.02153	0.5
121.02952	0.3
121.06502	3.5
122.03645	1.1
122.06894	0.2
123.04429	21.7
123.08053	0.3
124.04467	0.3
124.05238	5.4
134.03625	1.0
135.04407	0.7
137.02278	0.3
137.05994	1.0
138.03111	0.5
139.07550	0.4
139.28882	0.2
140.07054	0.6
149.05988	2.4
150.03082	0.5
151.03903	4.5
152.04681	3.9
165.05579	0.3
167.07037	100.0
168.04167	0.4
168.07414	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02385	0.5
52.03162	0.3
53.03947	2.0
55.01860	0.9
55.05509	3.7
57.03439	0.4
57.20010	0.3
59.04990	0.5
59.59462	0.3
65.03933	0.8
66.04720	1.2
67.05502	2.0
68.99780	0.6
69.03427	4.9
69.07069	1.7
71.04988	0.9
76.25255	0.3
77.03926	0.8
78.04710	17.9
79.05078	0.5
79.05490	8.7
81.03430	2.5
81.07064	4.0
83.04988	3.4
83.08619	3.8
85.02894	0.8
91.05482	3.2
91.34079	0.3
92.02635	0.4
93.03410	0.4
93.07045	5.4
94.04194	1.5
95.04971	3.5
95.08609	2.5
96.05783	1.5
97.02911	0.5
97.06522	1.6
97.10175	0.5
103.05480	0.5
105.03390	1.1
105.04511	0.9
105.07034	2.0
106.04173	7.8
107.04398	0.3
107.04984	2.8
107.08595	6.5
108.04501	0.4
109.02873	2.4
109.06538	2.2
109.10156	1.1
111.04437	0.8
111.08100	1.4
115.05500	0.5
119.06030	0.3
119.08532	0.3
120.02096	0.7
121.01643	0.7
121.02885	0.7
121.06512	1.6
121.07596	0.4
121.08405	0.3
121.10144	4.9
122.03648	2.2
122.06007	0.3
122.10479	0.5
123.04430	28.9
123.08076	1.4
123.11677	0.5
124.05238	8.0
125.05965	0.5
125.09628	1.1
128.06226	0.6
131.08560	0.9
134.03630	1.6
135.04408	1.1
137.02322	0.7
137.06013	1.4
138.03107	0.3
139.02748	0.4
139.03857	0.4
139.06580	0.3
139.07538	1.6
139.08537	0.4
139.11240	0.4
141.06985	0.6
149.02321	0.5
149.09630	1.8
149.13269	0.8
151.03905	6.0
152.04683	5.7
152.06200	5.1
153.06717	0.3
155.06047	0.4
165.06993	4.2
166.07626	1.1
167.07043	100.0
167.14243	1.7
168.04179	0.8
168.07381	3.9
169.06386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02378	0.3
52.03167	0.4
53.03947	1.6
55.01875	0.4
57.03440	0.2
58.81758	0.3
65.03945	0.7
66.04717	1.2
67.01880	0.3
67.05499	0.7
69.03427	0.3
69.57809	1.4
75.09257	0.3
77.03931	0.5
78.04716	19.3
79.05060	0.6
79.05492	4.9
81.03422	0.6
81.07048	1.0
81.31535	0.2
83.04955	0.5
91.05472	0.8
92.02629	0.4
93.01606	0.2
93.03413	0.4
93.07046	0.5
94.04186	1.0
95.04977	2.7
96.05743	1.1
97.06555	0.3
103.00617	0.3
105.03390	1.1
105.04523	0.7
106.04182	8.5
107.04981	3.7
107.08589	0.6
107.65080	0.3
109.02878	1.6
109.06522	0.4
110.03699	0.3
111.08074	0.5
112.52318	0.3
119.18745	0.2
120.02110	0.3
121.01598	0.3
121.02863	0.3
121.06524	0.7
121.07573	0.3
121.10140	0.6
122.03632	1.9
123.04438	31.3
124.05247	8.5
125.05985	0.4
134.03629	1.5
135.04456	1.7
137.02371	0.3
137.05988	1.5
138.03116	0.7
139.07574	0.5
149.02307	0.3
149.05936	0.3
149.09560	0.3
150.03136	0.3
151.03917	5.8
152.04695	6.5
167.07047	100.0
168.04172	0.7
168.07388	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	167.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
52.03144	0.8
53.03942	4.6
55.01873	9.6
55.05512	14.0
57.03440	4.0
57.07064	1.0
59.05001	1.3
65.03929	1.5
66.04706	1.2
67.05507	14.8
69.03431	5.1
69.07074	5.8
71.04977	3.0
71.30566	1.2
72.89730	0.7
77.03893	1.6
78.04266	1.1
78.04710	18.0
79.05490	59.5
80.05813	2.0
81.03415	2.2
81.07051	11.2
83.04980	16.1
83.08623	6.6
85.02918	1.1
85.06528	2.1
91.05479	22.2
92.05849	1.4
93.03395	1.5
93.07045	46.6
94.04162	1.3
94.07394	1.6
95.04970	10.0
95.08611	6.9
96.05222	0.8
96.05761	0.9
97.06532	7.8
97.10189	1.2
98.60217	0.7
103.05469	3.6
103.39754	0.7
105.03368	1.1
105.04536	1.6
105.07027	39.1
106.04189	6.1
107.04954	11.3
107.08591	81.0
108.08913	3.0
109.02877	2.6
109.06557	5.2
109.10147	3.3
111.04446	2.5
111.08053	5.2
116.06235	1.9
119.06071	3.0
119.08589	3.8
121.01689	2.2
121.02870	1.0
121.06501	11.1
121.07415	1.0
121.07581	0.7
121.10143	36.3
122.03654	1.6
122.10445	1.2
123.04426	27.9
123.08067	4.5
123.11718	2.1
124.05235	8.8
125.05976	3.3
125.09637	4.5
126.09261	1.0
129.06978	2.1
131.08565	29.1
132.08908	1.4
134.03638	1.9
135.04405	3.3
135.08038	1.0
137.02385	0.9
137.05980	1.8
137.09610	10.4
139.07564	1.8
139.11224	1.6
143.58000	0.8
144.03250	1.2
149.02371	1.1
149.05960	2.2
149.07053	1.9
149.09613	63.1
149.13249	1.6
150.05479	0.9
150.09996	1.9
151.03893	5.6
152.04681	5.8
152.06190	2.2
153.05400	2.2
155.06026	0.9
165.06992	1.1
166.07756	1.3
167.07042	100.0
167.08403	6.9
167.10677	22.9
167.14304	4.8
168.04190	1.0
168.07991	2.2
168.11055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02375	1.2
52.03144	0.8
53.03942	4.6
55.01873	9.6
55.05512	14.0
57.03440	4.0
57.07064	1.0
59.05001	1.3
65.03929	1.5
66.04706	1.2
67.05507	14.8
69.03431	5.1
69.07074	5.8
71.04977	3.0
71.30566	1.2
72.89730	0.7
77.03893	1.6
78.04266	1.1
78.04710	18.0
79.05490	59.5
80.05813	2.0
81.03415	2.2
81.07051	11.2
83.04980	16.1
83.08623	6.6
85.02918	1.1
85.06528	2.1
91.05479	22.2
92.05849	1.4
93.03395	1.5
93.07045	46.6
94.04162	1.3
94.07394	1.6
95.04970	10.0
95.08611	6.9
96.05222	0.8
96.05761	0.9
97.06532	7.8
97.10189	1.2
98.60217	0.7
103.05469	3.6
103.39754	0.7
105.03368	1.1
105.04536	1.6
105.07027	39.1
106.04189	6.1
107.04954	11.3
107.08591	81.0
108.08913	3.0
109.02877	2.6
109.06557	5.2
109.10147	3.3
111.04446	2.5
111.08053	5.2
116.06235	1.9
119.06071	3.0
119.08589	3.8
121.01689	2.2
121.02870	1.0
121.06501	11.1
121.07415	1.0
121.07581	0.7
121.10143	36.3
122.03654	1.6
122.10445	1.2
123.04426	27.9
123.08067	4.5
123.11718	2.1
124.05235	8.8
125.05976	3.3
125.09637	4.5
126.09261	1.0
129.06978	2.1
131.08565	29.1
132.08908	1.4
134.03638	1.9
135.04405	3.3
135.08038	1.0
137.02385	0.9
137.05980	1.8
137.09610	10.4
139.07564	1.8
139.11224	1.6
143.58000	0.8
144.03250	1.2
149.02371	1.1
149.05960	2.2
149.07053	1.9
149.09613	63.1
149.13249	1.6
150.05479	0.9
150.09996	1.9
151.03893	5.6
152.04681	5.8
152.06190	2.2
153.05400	2.2
155.06026	0.9
165.06992	1.1
166.07756	1.3
167.07042	100.0
167.08403	6.9
167.10677	22.9
167.14304	4.8
168.04190	1.0
168.07991	2.2
168.11055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02364	1.3
53.03953	6.2
54.72055	1.0
55.01875	2.8
55.05510	19.7
57.03403	1.1
57.07075	2.8
59.04985	3.2
60.98716	1.0
62.39771	1.2
65.03935	2.4
66.04720	1.3
66.14726	1.2
67.05497	7.3
68.65801	0.9
69.03418	4.6
69.07069	47.7
69.86424	4.8
70.06586	1.7
71.04991	1.5
77.03953	1.3
78.04704	12.5
79.05494	32.0
80.05029	1.2
80.05827	1.4
81.03413	1.4
81.07059	18.4
83.04539	1.0
83.04967	5.5
83.08631	6.6
84.96027	3.3
91.05477	14.4
92.64569	1.2
93.07044	88.4
94.04197	2.0
94.06595	1.5
94.07359	2.1
95.04966	7.0
95.08608	15.8
96.05750	1.1
97.06532	9.5
97.10166	1.8
98.06056	2.2
100.11233	2.5
103.00636	5.1
103.05440	2.7
105.07035	24.8
106.04174	4.1
107.04966	12.9
107.06072	1.8
107.08600	10.1
109.02886	2.0
109.06506	5.6
109.10155	1.8
111.04472	1.2
111.08086	2.3
111.11703	6.7
119.06017	1.2
119.08624	5.1
120.32075	1.1
121.01653	19.6
121.02419	1.9
121.06516	3.3
121.07636	3.7
121.10143	100.0
122.03630	1.7
122.06041	2.5
122.10471	3.1
123.04436	19.3
123.08041	5.6
123.11738	1.6
124.05249	8.9
125.05970	2.2
125.09635	2.1
133.07642	2.0
139.02702	9.1
139.07539	1.3
139.11151	3.3
140.07080	2.1
144.03207	13.6
144.48816	1.1
149.02324	1.9
149.07121	4.6
149.09633	16.1
149.13228	1.5
150.05492	2.7
151.03926	3.5
152.04709	6.2
152.05853	1.1
153.06915	2.2
155.06023	1.5
162.04329	5.2
165.07091	1.1
166.07494	1.0
167.03484	1.6
167.07043	66.1
167.08376	9.7
167.10686	30.9
167.12032	2.2
167.14336	3.0
168.04276	1.0
168.06487	2.9
168.09331	2.5
168.10934	1.1
168.13808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
52.82781	0.8
53.03942	4.3
55.01867	3.1
55.05513	96.5
56.05842	1.2
57.03429	3.8
57.07063	3.5
59.04999	10.9
60.75605	0.9
62.91075	0.8
65.03944	1.0
67.05508	17.6
69.03431	25.1
69.07065	10.5
69.44960	4.7
69.45372	1.3
71.04991	1.9
78.04718	2.3
79.05488	6.7
80.78687	0.9
81.07063	15.3
83.04984	100.0
83.08618	37.8
83.09116	1.6
83.37132	0.8
84.05315	2.6
85.06540	8.7
91.05482	2.5
93.07037	7.9
95.04979	1.5
95.08617	7.5
97.06532	5.5
97.10180	10.1
99.08085	2.7
105.07027	2.5
106.04080	1.0
107.04918	1.3
107.08596	16.2
108.08817	1.0
109.06522	1.7
109.10158	19.1
111.07343	1.9
111.08083	25.2
112.08905	7.1
113.09647	2.9
121.06557	1.9
121.10154	12.6
123.04410	4.5
123.08049	0.9
123.11722	7.4
124.05209	1.0
125.09628	15.9
149.13252	4.9
167.07076	16.2
167.08485	1.6
167.10599	1.3
167.14322	33.9
168.14610	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01870	5.0
55.05512	69.9
56.05835	1.6
57.03438	5.0
57.07061	2.2
59.05005	8.5
65.03940	1.9
66.04733	1.2
67.05508	16.0
69.03429	21.4
69.07071	8.5
69.45605	4.4
71.04990	4.3
71.08618	1.2
72.26398	0.6
73.06570	0.9
73.43177	0.7
77.03917	0.8
78.04712	18.9
79.05042	1.0
79.05486	19.7
80.05846	1.3
81.03414	1.9
81.07056	16.0
83.04981	76.1
83.08621	27.8
84.05311	2.0
85.06544	7.0
91.05482	8.2
93.03418	2.1
93.07042	17.8
94.04162	1.5
94.07342	0.8
95.04961	6.5
95.08614	10.3
96.05758	1.3
96.08947	1.0
97.06534	4.9
97.10167	9.5
99.04433	0.7
99.08077	1.4
99.92158	0.8
101.36240	0.6
101.37025	0.6
103.00645	1.0
103.05442	0.8
105.03394	1.3
105.04530	1.2
105.07014	6.5
106.04185	7.5
107.04968	6.4
107.08592	25.8
108.04493	0.9
108.08928	1.8
109.02880	3.0
109.06534	4.0
109.10159	14.5
109.51466	0.7
110.10495	0.6
111.04456	1.8
111.08077	22.4
112.08897	5.2
113.09672	2.4
119.06078	0.8
119.08624	0.7
121.01685	1.8
121.06505	3.5
121.07642	0.8
121.10142	16.7
122.03660	3.1
123.04432	31.1
123.08064	6.2
123.11733	6.6
124.05256	8.9
125.05994	2.2
125.09641	12.1
131.08583	1.8
134.03642	1.8
135.04399	2.5
137.02324	0.7
137.05989	2.6
138.03156	0.8
139.07558	1.2
139.11227	1.2
144.03293	2.0
145.06473	1.3
149.02330	1.6
149.04993	0.9
149.09616	6.9
149.13257	4.4
151.03912	6.4
152.04677	7.4
152.06204	3.7
155.06032	2.5
165.07021	3.0
166.07654	0.8
167.07056	100.0
167.08521	11.6
167.10625	6.5
167.14319	24.8
168.07503	3.1
168.10219	1.3
168.14699	1.6
184.45122	0.7
184.53357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.01874	4.2
55.05515	79.1
56.05849	1.5
56.40667	1.1
57.03437	3.0
57.07079	1.9
59.04996	10.0
67.05505	18.4
69.03429	22.7
69.07072	12.2
69.69239	1.0
70.48234	1.3
70.48565	1.7
71.04981	4.8
71.50972	0.8
72.40330	1.0
73.06554	1.6
78.04718	14.3
79.05062	1.6
79.05498	23.8
80.05814	1.6
81.03408	2.0
81.07057	17.9
83.04983	100.0
83.08620	30.9
84.05318	3.6
84.08982	1.2
85.06548	8.3
91.05476	9.4
93.07048	20.2
94.04227	1.9
95.04981	5.7
95.08608	9.0
96.05765	1.5
97.06540	6.1
97.10157	8.3
98.23282	1.0
99.08109	1.9
103.00675	1.2
103.05457	1.2
105.03401	2.5
105.07029	8.5
106.04166	5.6
107.04964	8.8
107.08592	32.1
108.08917	1.7
109.02916	1.8
109.06531	3.7
109.08467	1.1
109.10152	15.9
110.06038	1.2
111.04453	3.0
111.08085	24.2
112.08904	5.8
113.09663	3.5
121.01665	1.8
121.02965	1.5
121.06521	4.1
121.07638	1.3
121.08417	1.6
121.10152	24.4
122.03699	1.8
122.06052	1.1
123.04437	24.1
123.05305	1.6
123.08074	5.8
123.11711	7.2
124.05276	6.8
125.05984	1.7
125.09636	14.4
131.08565	1.9
134.03590	2.1
135.04475	1.4
137.05957	1.6
138.08702	1.3
139.03926	1.6
139.11208	2.1
145.06497	1.4
145.55553	1.1
147.87373	0.9
149.00552	1.0
149.02382	1.8
149.07074	1.4
149.09625	9.0
149.13243	5.3
151.03931	3.4
152.04794	5.2
152.06107	6.1
155.06085	1.7
165.06987	5.8
166.07567	1.8
167.07068	76.5
167.08578	12.7
167.10669	6.3
167.14316	34.8
168.02774	1.1
168.07433	2.3
168.14746	2.0
175.93428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03934	4.5
55.01863	4.4
55.05510	74.5
56.05856	1.7
57.03431	4.2
57.07065	3.8
59.05003	9.8
65.03940	2.1
66.04727	1.4
67.05503	19.2
69.03431	20.9
69.07072	13.7
70.90841	1.3
70.91171	1.7
71.04995	7.2
78.04708	15.1
79.05492	18.2
80.73777	1.1
81.03458	1.3
81.07053	23.2
83.04980	100.0
83.08614	31.3
84.85636	1.0
85.06521	7.3
91.05484	9.2
93.07041	17.2
95.04974	6.5
95.08605	14.5
97.06544	8.4
97.10155	8.0
99.08109	1.6
102.63353	1.4
102.68109	1.4
105.03406	1.8
105.04527	1.5
105.07027	4.4
106.04176	5.9
107.04961	13.6
107.08588	24.3
109.06522	3.5
109.10149	21.0
111.04435	1.8
111.08077	22.0
112.08866	5.3
112.87626	1.5
113.09679	2.5
121.01715	2.5
121.06503	8.9
121.10144	15.7
123.04435	22.1
123.08025	2.0
123.11703	8.7
124.05268	6.2
125.05993	1.8
125.09637	15.3
131.08612	1.9
135.04424	5.4
135.08044	5.0
139.07512	1.1
139.11215	1.5
149.05977	2.1
149.07123	1.2
149.09613	6.3
149.13249	6.1
151.03917	3.9
152.04678	6.3
152.06180	2.0
158.97040	1.2
166.07416	1.4
167.03365	1.8
167.07050	73.9
167.08501	7.9
167.10631	5.9
167.12018	1.5
167.14311	35.5
168.07431	2.6
168.14709	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01867	4.3
55.05272	2.2
55.05515	31.0
57.03439	3.7
57.07062	4.3
59.04997	7.1
65.03942	2.6
67.05507	33.1
69.03432	8.4
69.07070	31.7
69.26429	3.6
69.26853	6.6
70.96482	1.2
71.04993	27.9
73.06551	9.8
74.67678	1.3
77.03903	1.2
78.04714	21.1
79.05061	2.3
79.05498	31.9
80.94895	1.3
81.03425	1.9
81.07058	34.4
83.04985	21.2
83.08624	11.0
85.06526	3.7
91.05472	14.8
91.52915	1.3
93.07043	51.4
94.04176	1.2
94.07378	2.5
95.04965	7.3
95.08609	75.1
96.08958	1.7
97.06533	11.8
97.10171	2.5
98.23347	2.8
103.05445	1.4
105.03374	1.9
105.04525	1.5
105.07025	11.5
105.15596	1.5
106.04182	7.6
107.04973	9.6
107.08594	47.1
109.02879	2.8
109.06511	5.0
109.10159	20.8
111.04421	2.4
111.08110	8.8
121.06466	2.3
121.10146	40.1
122.03670	2.1
122.10480	1.6
123.04436	31.7
123.08070	3.6
123.11707	7.2
124.05234	10.1
125.06023	1.6
125.09611	7.7
125.96625	1.4
131.08577	4.0
135.04411	1.8
137.06029	1.3
139.11182	2.4
149.09637	7.7
149.13263	18.6
151.03915	7.3
152.04671	5.8
152.06007	1.4
153.06947	1.9
165.06989	2.3
167.07054	100.0
167.08495	6.9
167.10616	9.1
167.14316	14.6
168.07399	5.1
168.09364	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03940	3.4
55.05514	19.8
56.22351	1.6
57.03427	2.6
57.07075	4.5
57.79264	1.4
59.05001	4.8
65.03945	1.8
67.05510	33.6
69.03433	1.5
69.07072	17.6
70.52414	3.8
71.04603	2.0
71.04996	37.5
73.06559	16.8
77.70155	1.5
78.04694	3.1
79.05498	16.4
81.07065	35.1
83.05000	2.6
83.08630	8.2
84.62794	1.5
85.06535	3.2
87.08118	3.2
91.05493	5.9
93.07052	36.0
95.04970	3.4
95.08611	100.0
96.08943	3.8
97.06547	5.9
97.10199	1.7
98.89584	1.5
99.42905	1.3
105.07041	3.9
106.04160	1.9
107.04921	1.5
107.08601	43.3
108.08817	1.4
108.42634	1.4
109.06530	2.5
109.10162	19.8
111.08097	2.6
120.56865	1.3
121.01647	2.0
121.10135	19.2
123.04425	3.7
123.11726	8.2
125.09615	3.4
149.13268	24.5
150.13550	1.7
167.07059	14.4
167.08394	2.4
167.14323	14.1
188.78394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	3.2
53.03936	8.2
55.01875	4.7
55.05510	31.7
57.03441	4.6
57.07059	5.7
59.04988	7.1
67.05181	2.5
67.05505	35.0
67.11422	2.0
69.03413	8.3
69.07076	30.8
70.90862	3.4
71.01343	3.6
71.04995	44.0
73.06559	20.9
78.04715	18.2
79.05068	3.0
79.05496	36.2
81.03423	3.5
81.07052	41.5
83.04974	11.2
83.08624	10.9
85.06551	3.1
85.99983	1.9
91.05471	13.5
93.07045	67.6
94.07361	2.0
95.04946	10.0
95.08607	100.0
96.08918	4.0
97.06538	16.5
103.09106	1.9
105.07035	15.3
106.04176	9.3
107.04970	6.9
107.08595	73.7
109.06521	7.0
109.10156	28.6
111.08073	6.0
119.06023	2.6
119.08589	2.5
121.06569	3.0
121.10143	44.2
123.04428	34.0
123.08088	3.2
123.11711	8.0
124.05264	10.5
125.06023	3.2
125.09622	6.5
131.08635	2.7
139.11191	3.0
144.03169	2.1
149.02391	3.0
149.05977	3.0
149.09610	8.5
149.13272	23.4
151.03925	3.5
152.04666	8.5
165.07010	2.8
167.07042	87.6
167.08401	5.3
167.10628	13.0
167.14281	16.1
168.07582	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	168.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	0.4
71.30077	0.5
80.05001	0.3
81.07072	0.4
85.29740	0.4
87.45390	0.3
90.23365	0.3
91.05477	0.4
95.57879	0.3
96.04527	0.4
98.06071	0.4
103.05482	0.8
121.01690	0.4
121.99392	0.8
122.06041	1.0
124.04008	0.3
128.06195	0.9
140.00427	0.6
140.07071	0.8
141.06972	2.0
145.00914	1.0
145.06471	1.0
150.05486	1.2
151.08606	0.4
152.06203	5.7
153.06995	100.0
154.07320	5.3
155.06033	1.7
163.02002	1.0
165.06978	2.8
166.07587	1.3
167.08569	48.3
168.06462	1.6
168.09343	76.6
169.04924	0.3
169.06287	0.4
169.07553	0.5
169.09756	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	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61846	0.4
53.00309	26.5
54.00644	0.5
55.01876	0.5
56.96562	0.8
57.03442	1.1
59.01356	0.4
59.02353	0.5
65.03941	1.2
67.05511	1.1
68.32539	0.4
68.99793	5.1
69.03428	12.9
69.07050	0.6
70.00565	0.5
71.04996	0.9
71.21569	0.8
79.05504	1.0
81.03422	1.1
81.07058	1.4
82.00553	0.6
83.01321	0.5
85.02907	100.0
85.94578	0.5
86.00034	0.8
86.03241	2.3
87.00854	0.5
88.01598	0.5
93.07040	0.8
95.01346	0.7
95.04987	0.8
95.08599	0.8
98.00036	1.4
99.04441	0.5
100.53094	0.5
103.00489	0.4
107.08556	0.5
109.02880	1.0
109.06567	1.0
110.03653	0.8
110.06030	0.4
111.04482	0.9
111.08086	1.4
113.02369	83.6
114.02677	1.7
115.05444	2.2
123.04408	0.6
124.07629	0.9
125.06013	0.9
125.98786	0.5
125.99500	13.5
126.99799	0.6
131.03419	1.7
134.05933	0.5
137.02348	7.3
141.01842	4.5
141.05437	1.1
141.07005	0.6
142.06523	1.3
144.00540	1.0
145.96622	0.5
151.03917	0.8
151.08652	0.5
152.07120	0.5
154.07855	0.7
163.97734	0.6
166.24356	0.4
169.01326	50.4
169.05003	1.4
170.01646	1.9
170.06050	3.6
187.02388	14.5
188.02698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03948	0.4
55.01867	0.4
55.05503	0.2
55.45397	0.3
56.98580	0.2
57.03433	0.2
67.05502	0.3
68.99788	3.1
69.07072	1.2
69.40377	1.7
70.04234	0.3
71.04989	0.4
79.05533	0.3
80.02629	0.3
81.03408	0.5
81.07061	0.4
85.02905	0.6
85.06518	0.2
97.02903	1.5
97.06535	0.3
98.03671	2.9
99.04442	0.4
109.02898	1.2
111.00803	27.2
112.01145	0.7
113.06023	0.8
115.05500	0.3
123.08136	0.3
125.02325	0.6
126.03133	32.2
127.03469	0.9
141.05463	100.0
142.05795	4.2
154.07968	0.3
168.34468	0.2
169.04964	41.9
169.07474	1.0
169.10059	0.6
170.05270	1.7
183.81041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.4
52.03191	0.4
52.44970	0.5
53.03944	0.9
55.01874	0.7
55.05509	1.0
56.33628	0.5
65.03944	1.9
67.05505	2.8
68.99791	0.7
69.03429	0.8
69.07073	0.7
69.73685	2.0
70.06582	0.5
71.05005	1.0
71.63967	0.4
79.05508	1.3
81.03420	2.1
81.07056	3.3
83.04963	0.8
85.06554	0.7
85.87798	0.4
89.03912	0.5
89.16071	0.4
91.05484	10.1
91.06011	0.9
93.07079	1.1
95.04971	1.6
95.08621	1.7
97.06539	0.6
98.23304	0.5
99.04475	0.6
102.04751	0.5
103.05484	0.8
105.07048	1.3
107.08604	1.3
109.02878	3.0
109.06536	1.6
109.10135	2.1
111.00805	2.6
111.04449	0.7
111.08086	1.3
115.05457	44.1
116.05786	1.8
117.07006	0.4
123.04465	0.6
123.08064	1.6
123.11708	1.5
124.07623	0.8
125.06013	0.5
126.03134	4.2
128.06224	10.7
129.07021	11.9
130.07333	0.5
137.02345	0.7
139.05388	0.7
141.05472	10.3
141.06992	84.2
142.07327	4.2
151.05473	0.4
151.07617	0.8
151.11186	0.9
152.06200	1.9
153.07001	16.7
154.07779	57.6
154.21561	0.4
155.03409	0.7
155.08141	2.3
156.06442	0.7
165.07071	0.9
167.08580	4.5
168.05710	1.5
168.09331	1.4
169.04968	3.6
169.06485	24.2
169.07704	4.1
169.10126	100.0
170.06978	1.3
170.10519	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	169.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54647	0.5
51.02391	0.5
53.00290	0.6
53.03937	1.3
53.72914	0.6
55.01860	1.2
55.05525	1.3
55.78460	0.5
57.03438	0.8
65.03944	3.9
67.05496	1.8
68.99786	4.2
69.03407	1.7
71.04975	1.4
79.05495	1.1
81.03059	0.6
81.03423	6.9
81.07042	3.2
83.04987	1.2
85.02904	1.4
85.29308	0.5
85.94605	0.6
91.05485	11.7
93.03391	1.5
93.05785	0.7
93.07044	1.0
95.04959	2.1
95.08598	1.7
97.02890	1.1
97.06542	0.7
98.03664	1.7
98.23363	1.4
99.04436	0.9
105.07030	1.1
107.08624	0.9
109.02881	15.4
109.06493	1.2
110.03745	1.0
110.06046	0.7
110.24551	0.6
111.00806	13.8
111.04446	6.5
113.06004	0.9
115.05460	42.5
116.05765	1.9
117.07029	0.8
123.04429	1.8
123.08072	1.5
123.20366	0.5
124.07555	1.4
125.05990	1.9
126.02251	1.1
126.03140	17.6
127.03947	5.0
128.06230	10.5
129.07019	11.8
134.06032	0.9
137.62971	0.6
137.89513	0.6
139.05434	0.9
140.06195	0.8
141.05464	39.6
141.06984	89.4
142.05780	1.5
142.07318	5.6
145.72008	0.6
151.03917	1.1
151.05046	0.7
151.07552	2.5
151.08665	1.2
151.11243	0.7
152.06181	2.0
152.07198	1.0
153.06998	15.7
154.02626	1.6
154.07774	59.3
155.03374	3.6
155.08121	2.2
163.97713	1.3
165.07002	0.8
167.08533	3.8
169.04958	11.6
169.06474	24.3
169.07671	8.9
169.10123	100.0
170.05786	2.9
170.06918	1.0
170.08115	1.4
170.10661	5.0
183.14790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05510	0.5
57.07079	2.4
60.04535	0.1
69.30391	0.8
70.16708	0.1
72.04520	1.0
80.04967	0.1
83.04977	0.7
83.08646	0.2
85.02895	0.5
86.06083	1.0
86.09707	100.0
87.09490	0.1
87.10033	2.5
89.07162	0.4
110.06057	0.1
111.04430	0.3
115.05473	0.2
116.10735	1.0
124.07600	0.2
128.06206	0.4
128.10721	19.2
129.07054	0.1
129.11058	0.6
142.12262	0.4
143.08575	0.3
152.07077	0.2
155.08571	0.1
156.09302	0.3
170.08211	0.2
170.09659	0.3
170.11768	2.6
171.06573	0.1
171.07957	0.2
171.11728	0.2
171.14850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	2,6-Dimethoxyhydroquinone
Peak:m/z	Relative Intensity
53.49395	1.0
55.05515	24.6
57.03430	1.9
65.03934	1.4
67.05506	3.3
69.03416	1.9
70.69203	1.6
71.01351	1.3
71.04995	1.6
72.04527	4.5
83.04984	89.7
84.05309	2.4
85.02907	100.0
86.03249	1.9
87.00823	1.5
87.04470	2.3
89.07143	2.5
99.04440	3.0
101.05999	1.5
111.04444	44.5
112.04731	1.3
128.06226	1.2
129.05486	10.9
129.06976	1.3
139.03825	1.2
143.08615	1.1
154.07100	0.8
156.08162	0.9
156.09340	3.5
157.10066	0.9
157.19675	0.8
171.06538	36.7
171.11678	3.8
171.14922	1.5
172.06964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0652
Annotation	2,6-Dimethoxyhydroquinone
Peak:m/z	Relative Intensity
50.57105	0.8
51.99689	0.9
55.05515	21.1
57.03424	3.1
61.02920	1.6
65.03915	1.7
65.95827	0.7
67.05492	3.4
69.03400	1.2
69.19640	6.3
71.01343	1.7
71.05000	1.3
72.04512	4.2
83.04984	100.0
83.08621	1.5
84.05297	3.0
85.02906	96.7
86.03227	2.9
87.00813	1.5
87.04482	2.5
89.02399	1.3
89.07143	3.2
98.23365	1.5
99.04436	2.8
111.04447	27.6
115.05450	0.9
124.91489	0.8
128.06238	1.1
129.05484	11.9
129.06999	1.4
141.06970	1.0
142.07690	1.1
143.08569	2.0
146.18143	0.9
156.09329	3.5
171.06529	39.4
171.11711	4.0
171.14932	2.6
172.06844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.96792	0.4
52.92139	0.3
53.03945	1.0
55.01870	2.4
55.05516	3.2
60.81582	0.4
65.03944	27.5
66.04276	0.9
67.05504	2.2
68.02676	0.5
68.99797	10.0
69.03439	1.8
70.34921	0.9
71.01362	0.4
72.04515	1.4
78.12947	0.4
79.01862	0.4
81.03419	4.4
82.08617	0.3
83.01345	0.6
83.04988	12.6
83.08646	0.6
86.09747	0.5
89.07136	0.9
93.03405	12.3
94.03752	0.5
96.02123	1.7
97.02898	1.5
98.97587	1.1
101.28609	0.3
111.04447	93.4
112.04777	2.6
116.98678	0.7
121.02979	1.1
121.03989	10.8
132.17972	0.4
139.03905	100.0
139.22731	0.4
140.04213	2.9
148.97293	0.4
171.05579	0.3
171.06569	3.5
171.14951	0.7
184.31293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0806
Annotation	2-Hyroxybiphenyl
Peak:m/z	Relative Intensity
53.03947	1.0
55.01877	1.0
55.05515	3.1
60.72993	0.4
64.46838	0.4
65.03928	1.2
67.05503	0.5
69.54469	0.7
69.54876	1.3
71.96630	0.4
72.04505	2.7
79.05490	3.3
83.08619	0.8
89.07154	2.1
91.05482	8.8
93.07059	1.2
93.93737	0.4
94.16127	0.4
95.04944	0.8
103.05466	2.9
105.03389	0.7
105.07043	4.8
106.76281	0.4
115.05453	10.0
115.85361	0.4
117.07012	1.8
120.63537	0.4
127.05449	1.7
128.06223	67.9
129.07027	36.6
130.07845	3.1
131.08578	2.1
141.06981	13.9
142.07806	10.6
143.08563	66.1
144.08919	2.3
145.06470	3.7
152.06204	6.0
153.06998	7.8
154.07802	0.7
155.06049	5.5
155.08531	2.3
156.05693	1.0
156.09349	25.0
157.09714	0.8
159.68587	0.4
169.06453	1.0
169.10162	1.2
170.07132	1.2
171.08057	100.0
171.11685	69.8
171.14873	1.8
172.08368	5.5
172.12065	3.1
181.07600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.36092	0.8
55.01876	8.4
55.05511	100.0
56.05841	1.5
57.03447	1.4
57.07068	3.0
58.07405	0.9
59.04996	2.1
65.03951	1.1
67.05499	9.3
69.03439	3.9
69.07069	13.2
70.07401	1.5
71.04967	0.6
71.30984	1.0
72.04516	25.4
77.71467	0.7
79.05492	17.3
81.07052	14.7
82.21055	0.6
83.04974	7.3
83.08616	38.2
84.08942	1.0
85.02905	2.7
85.06536	2.4
86.06909	1.1
86.09708	4.3
87.10039	4.5
89.07150	15.8
91.05486	4.3
93.07054	3.7
95.08617	0.9
96.08098	0.7
97.06551	0.8
97.10166	38.8
98.10500	1.3
98.97553	0.9
99.04458	0.8
101.09652	1.5
105.07018	2.5
107.08586	11.4
109.06542	1.1
111.04420	1.5
111.08071	1.6
115.05453	1.6
118.91840	0.7
125.09632	8.1
126.09186	0.6
128.06218	6.5
129.07007	13.3
135.08025	0.9
139.03879	0.8
141.06993	2.2
142.07750	4.0
143.08568	12.5
144.08897	0.7
156.09349	4.4
171.05533	2.3
171.07993	1.8
171.10181	1.5
171.11693	22.2
171.14793	9.4
172.16901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01878	7.0
55.05515	100.0
56.05848	2.1
57.03422	0.8
57.07086	0.6
59.05006	2.0
65.03941	1.0
67.05511	9.2
69.03441	4.3
69.07070	11.9
71.20862	0.6
72.04516	6.2
79.05495	15.0
81.07058	13.3
83.04987	4.7
83.08622	33.0
84.08962	1.0
85.06542	0.6
87.04444	0.8
89.07159	4.9
91.05486	2.5
93.07068	2.0
97.10175	35.3
98.10553	0.7
101.09690	1.5
105.07050	1.5
107.08598	11.2
107.09287	0.8
108.27576	0.5
109.06551	0.6
111.08132	0.7
117.07007	0.8
119.69753	0.5
125.09647	9.4
126.09937	0.8
128.06248	1.3
129.07007	4.4
135.08150	0.9
142.07935	0.6
143.08612	2.3
156.09364	0.8
168.22725	0.7
171.11708	4.6
171.14987	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01876	3.8
55.05508	7.4
57.03435	4.1
57.07077	0.7
59.04995	0.7
65.03942	5.8
65.61424	0.4
67.05505	71.5
68.05837	2.4
69.03429	3.4
69.07066	5.8
70.14912	0.6
70.67507	0.7
70.67842	1.1
71.04996	2.6
71.93022	0.5
72.04529	3.1
73.02920	9.8
75.04479	1.8
75.42888	0.4
79.05492	47.2
80.05812	1.5
81.07059	44.5
82.07378	1.2
83.04981	11.2
83.08619	1.3
85.02901	0.8
85.06529	0.8
86.09707	1.1
87.04459	0.7
89.07153	2.5
91.05484	9.1
93.03407	4.4
93.07030	4.9
94.03641	0.5
95.04979	1.1
95.08599	1.6
97.06532	2.9
97.10179	1.8
98.97558	0.5
99.04444	1.1
103.05465	0.5
103.35485	0.5
105.07030	4.1
107.04955	2.2
107.08595	100.0
108.08942	3.7
109.06482	2.5
109.10153	20.3
110.10460	1.0
111.00774	0.8
111.04441	38.5
111.08074	3.9
112.04770	1.2
115.03948	0.5
115.05445	2.7
117.07018	3.8
119.06010	1.2
125.09631	12.7
128.06223	6.3
129.06961	1.7
135.08054	11.0
135.11705	1.0
141.06989	1.9
142.07782	1.4
143.04875	0.7
143.08562	3.5
144.08017	0.6
146.61244	0.6
153.09103	53.3
154.09479	2.7
155.06050	0.9
156.09358	6.7
171.02864	0.6
171.04333	0.7
171.08025	5.3
171.10138	30.0
171.11670	5.6
171.14954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Boonein
Peak:m/z	Relative Intensity
51.02409	0.5
53.03945	0.9
55.01875	4.9
55.05517	9.4
57.03440	4.5
59.05000	1.1
65.03946	6.1
67.05506	74.0
68.05843	1.5
69.03430	2.6
69.07070	3.9
71.04979	2.6
71.30286	0.7
71.60511	0.4
72.04520	3.5
73.02919	10.2
74.30049	0.5
75.04487	0.9
79.05495	51.2
80.05833	1.3
81.07059	49.0
82.07403	1.3
83.04984	10.8
83.05457	0.7
83.08632	1.5
84.08119	0.4
85.02903	0.9
85.06546	1.2
86.09696	2.7
87.04485	1.6
89.07150	2.8
91.05482	9.3
91.06004	0.7
93.03412	5.8
93.07047	5.4
95.04968	2.2
95.08624	2.0
97.06544	2.9
97.10178	1.7
99.04458	2.0
99.08131	0.6
103.05483	0.9
104.03481	0.9
105.07036	5.3
106.04198	0.6
107.04966	2.8
107.08596	100.0
108.08908	3.0
109.06520	2.9
109.10155	18.3
110.10480	0.8
110.39912	0.4
111.00821	0.6
111.04444	39.4
111.08057	4.6
112.04783	0.7
113.02380	1.5
115.05466	4.6
117.07035	3.9
118.07386	0.5
119.06077	1.5
125.09632	15.5
127.05440	0.7
128.06226	17.7
129.07027	4.7
135.08047	11.0
136.08411	0.5
139.03894	1.3
141.07033	3.7
142.07753	1.4
143.08556	8.4
144.05679	0.6
145.06509	1.0
152.06233	1.8
153.07025	3.0
153.09108	54.5
154.09500	2.7
155.05989	1.3
155.08600	0.7
156.04149	2.6
156.09354	8.1
171.05467	0.8
171.06676	1.2
171.08058	14.4
171.10173	30.9
171.11700	8.4
171.14925	1.3
172.08527	0.8
172.10606	0.7
181.07713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86602	0.7
53.03925	1.3
55.01867	4.3
55.05517	8.8
55.11508	0.7
57.03434	3.7
58.32538	0.8
60.76695	0.9
65.03938	6.2
67.05504	75.8
67.82996	0.9
68.05853	1.9
69.03410	2.0
69.07070	5.2
69.37810	0.9
69.38130	5.1
70.94241	1.2
71.04992	2.3
72.04517	9.2
72.08150	2.5
73.02917	10.8
79.05490	49.7
81.07056	47.7
82.07378	1.1
83.04984	12.7
83.08620	3.0
84.08135	1.0
86.09700	3.1
87.04467	2.5
88.95290	0.9
89.07158	5.5
91.05473	11.0
93.03407	5.6
93.07031	4.4
97.06541	1.1
97.10179	1.3
99.04446	1.6
103.05453	1.3
104.03472	3.2
105.07042	4.6
107.04966	2.4
107.08592	100.0
108.08929	3.4
109.06527	2.8
109.09443	1.7
109.10156	23.0
111.04440	43.6
111.08088	4.7
112.04731	0.9
112.07590	0.8
113.02356	1.5
115.05452	2.9
117.07021	2.7
119.06051	1.3
125.09630	15.8
127.04015	1.0
128.06223	10.9
129.06990	5.5
135.08055	10.7
139.03915	3.6
141.06985	1.4
143.08577	7.6
153.09103	59.7
154.09454	2.7
155.06049	1.1
156.04199	3.9
156.09389	2.5
171.06500	3.5
171.07906	6.8
171.10172	29.7
171.11703	9.5
171.14984	3.3
172.09596	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01882	2.7
55.05510	7.4
57.03441	4.1
59.05005	0.9
61.84002	0.4
65.03944	5.2
67.05507	76.2
68.05838	2.2
68.99793	0.7
69.03431	2.2
69.06743	0.6
69.07068	3.6
69.25833	3.1
69.26154	0.7
70.94248	1.4
71.04980	1.1
72.04526	6.4
73.02506	0.6
73.02919	11.7
75.05612	0.6
77.03938	0.6
79.05495	42.7
80.05843	1.6
81.03440	0.6
81.07060	47.3
82.07378	1.2
83.04990	9.7
83.08622	2.5
86.09711	3.6
87.04459	0.8
88.95283	1.2
89.07162	4.9
91.05475	8.1
92.58511	0.5
93.03413	4.8
93.07039	4.1
95.04964	1.4
95.08611	0.8
97.02972	0.5
97.06538	1.9
97.10165	1.8
98.97581	0.9
104.03481	1.2
105.07030	4.4
107.04964	1.8
107.08597	100.0
108.08923	5.2
109.06525	2.3
109.10158	19.6
110.10506	0.7
111.04445	36.6
111.08070	2.3
112.04787	1.4
113.02342	0.8
115.05443	1.6
117.07034	2.1
119.06060	1.0
125.09634	11.5
128.06223	4.7
129.06981	1.2
131.46083	0.6
135.08049	10.5
139.03906	2.0
141.06955	1.0
143.08527	2.6
143.11713	0.6
147.96591	0.7
153.09109	55.5
154.09467	2.9
156.04153	1.2
156.09396	2.5
171.06696	0.9
171.08009	3.4
171.10181	29.8
171.11679	2.3
171.14963	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.33004	0.6
53.03936	1.4
54.04287	0.5
55.01864	1.0
55.05511	3.7
55.10072	0.6
65.03937	3.1
67.05492	3.0
69.27326	3.7
69.27660	0.6
72.04504	1.3
77.03949	0.6
77.67120	0.5
79.05489	9.5
81.43314	0.6
89.07104	0.8
91.05479	18.6
93.03397	4.8
93.07040	4.2
95.04964	2.1
102.04604	0.6
103.05485	3.7
105.03374	1.8
105.04536	0.8
105.07031	11.6
115.05447	14.8
117.07023	5.3
127.05417	1.7
127.59406	0.6
128.06218	83.3
129.07016	49.3
130.07739	5.2
131.04939	1.0
131.08571	2.9
141.06989	16.5
142.07787	14.9
143.08557	76.0
144.05791	0.7
144.08919	3.1
145.06502	3.8
152.06212	5.1
153.06996	4.7
154.07719	0.9
155.06052	7.3
155.08493	3.6
156.05595	0.6
156.09344	28.7
157.06494	1.1
157.09668	1.4
169.06454	0.9
169.10167	1.9
170.06943	2.0
171.08052	53.8
171.11682	100.0
172.08562	4.1
172.12009	5.9
181.07674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03949	0.6
54.04708	0.3
55.01873	1.9
55.05514	3.3
57.03436	2.4
57.07079	0.4
65.03960	0.5
67.05502	1.2
68.99791	0.4
69.07076	2.0
71.04991	1.2
71.30555	0.6
72.04530	1.8
75.04459	0.6
79.05498	2.0
81.07058	2.8
81.90900	0.4
83.04968	0.6
83.08624	1.2
85.06549	0.5
89.07153	1.4
89.90864	0.3
91.05479	1.7
93.07060	0.9
95.04975	0.8
95.08606	0.7
97.06541	1.3
99.04447	0.5
102.04671	0.4
103.05462	0.8
105.07040	1.9
107.08588	1.4
109.10161	1.4
111.00754	0.4
111.04433	0.6
111.08064	0.9
115.05431	3.4
116.06210	0.5
117.07040	0.8
119.08591	0.4
125.09653	0.9
127.05447	0.5
128.06226	21.9
129.07031	8.3
130.07782	0.5
131.04875	0.6
131.08542	0.8
135.11655	0.6
139.00208	0.5
139.03854	0.4
141.06995	22.0
142.07808	5.3
143.08565	24.0
144.05743	0.5
144.08893	1.2
145.06458	1.1
152.06195	1.0
153.07007	2.3
153.08990	0.4
153.12718	1.0
154.07678	0.6
155.06044	1.7
155.08548	6.0
156.09346	100.0
157.09683	7.0
169.10072	0.9
170.39516	0.3
171.08069	18.1
171.11688	69.9
171.14850	1.4
172.05164	1.3
172.08388	1.1
172.12019	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	171.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	1.8
55.05512	6.9
61.68165	0.5
65.03942	3.7
67.05509	5.4
67.23064	0.5
71.31523	0.7
72.04518	8.4
74.75338	0.6
74.75748	0.6
77.03940	0.7
79.05498	9.6
83.08627	2.0
89.07163	5.6
91.05485	25.8
93.03407	5.6
93.07044	6.5
95.04970	2.0
103.05466	3.9
105.03378	1.0
105.07037	11.2
115.05456	14.3
116.06244	0.8
117.07042	7.4
127.05453	1.1
128.06226	77.4
129.07019	56.1
130.07893	5.8
131.04942	0.8
131.08562	2.7
139.03886	1.4
141.06987	15.5
142.07797	12.9
143.08568	69.8
144.08929	3.3
145.06467	3.7
152.06224	4.8
153.06993	4.6
154.07729	1.4
155.06039	6.1
155.08615	3.0
156.09354	25.8
157.06439	0.7
157.09665	0.8
169.06436	0.9
169.10135	2.3
171.08063	46.2
171.11691	100.0
172.08382	2.9
172.12064	5.8
181.07632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.50232	1.1
55.01875	16.7
55.05268	2.1
55.05515	24.6
55.05766	0.8
57.03441	66.5
57.07075	1.2
65.03948	2.6
67.05507	53.2
69.07072	60.2
70.70982	2.8
71.04995	5.8
72.04515	7.2
72.08170	3.6
73.02916	1.9
73.06560	3.4
79.05487	8.6
81.07058	21.8
83.04980	6.6
83.08627	25.8
85.02902	2.5
85.06537	6.7
87.04462	1.5
89.07156	5.2
91.05479	4.8
93.03411	1.3
93.07065	7.4
95.04968	3.5
95.08600	6.8
97.06538	16.5
99.08065	1.6
103.05453	2.2
107.08591	11.6
109.06542	1.3
109.10160	100.0
110.10507	4.1
111.00792	2.8
111.04492	2.8
111.08084	15.2
115.05446	5.8
115.65150	1.5
125.09668	2.4
127.11195	22.7
128.06230	29.9
129.07050	13.8
134.76308	1.2
135.11739	3.8
141.07011	9.8
142.07791	5.5
143.08577	25.0
144.05727	1.9
152.06206	1.7
153.07014	4.9
153.09138	2.8
153.12767	6.9
155.06076	2.2
155.08611	1.7
156.09361	35.6
157.09787	1.6
167.74683	1.3
171.04280	2.2
171.08051	26.8
171.10211	3.0
171.11679	32.0
171.13728	2.9
171.14972	3.3
172.05292	2.7
172.08577	2.1
172.12080	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01875	10.7
55.05517	14.7
57.03438	38.0
57.07074	1.6
65.03918	1.4
67.05506	31.9
68.05833	1.1
69.07070	38.9
69.50887	5.0
70.07406	1.2
71.04984	8.8
72.04507	5.7
72.08162	4.8
73.02908	1.4
73.06542	1.8
79.05483	3.5
81.07060	12.1
83.04993	4.7
83.08621	14.8
85.06538	3.7
89.07155	3.0
91.05474	2.9
93.07022	5.1
95.04984	1.6
95.08595	4.9
97.06533	10.4
103.05457	1.2
105.07032	3.8
107.08599	6.5
109.06560	1.2
109.10161	63.1
110.10468	2.4
111.00809	3.9
111.08084	12.0
115.05448	5.0
117.07048	1.0
124.26999	1.0
127.11186	11.2
128.06230	30.2
128.67516	0.9
129.07021	13.6
130.07797	0.9
131.08496	0.9
135.11732	1.8
139.00276	1.3
139.03740	1.0
141.06982	28.2
142.07806	12.3
143.08563	38.9
144.08905	2.6
145.06520	1.6
152.06192	1.6
153.06976	2.7
153.12732	3.7
155.05981	1.9
155.08563	8.9
156.09352	100.0
157.09691	6.2
171.08069	21.8
171.11696	67.5
171.14909	2.0
172.08684	1.1
172.12033	4.3
192.08109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0599
Annotation	6-Methyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.03957	0.3
55.05513	9.8
59.05006	1.8
64.29001	0.3
65.03955	0.4
67.05511	0.9
69.03423	0.9
71.31076	0.3
72.93789	1.8
76.02296	0.3
79.05483	0.6
81.07068	0.5
83.04983	10.9
85.06554	0.3
87.04476	0.5
89.02388	1.1
89.03911	0.7
90.94833	1.1
91.05486	13.8
92.05823	0.3
95.04962	0.4
99.04453	0.6
101.05360	0.5
101.06019	6.8
102.04691	8.6
102.35966	0.2
103.03283	0.4
103.05476	10.1
104.05806	0.3
105.03379	0.6
105.07036	2.6
108.95835	0.3
111.04443	10.6
113.06019	1.2
115.05458	100.0
116.05665	2.9
116.06400	0.5
117.07022	55.0
118.06593	0.5
118.07356	2.6
119.08583	1.2
126.04627	0.5
127.05435	5.6
127.07549	1.0
128.06223	1.6
129.03313	0.3
129.05505	3.1
129.06998	1.7
130.04160	7.2
130.07846	1.4
131.04973	1.8
131.05820	0.3
131.08574	8.7
131.97435	0.3
132.05214	0.3
132.95830	0.4
137.06009	0.3
143.04926	3.6
143.08565	2.3
144.05685	0.9
144.09322	0.5
145.06490	50.4
145.10133	4.7
146.05884	0.3
146.06853	2.3
149.96164	0.5
150.96924	0.5
155.04982	1.0
155.06027	24.7
155.07083	4.5
155.08572	0.8
156.06361	0.8
158.07274	1.3
158.10916	2.7
161.05980	3.1
167.97156	0.5
171.05664	0.3
172.05333	0.5
173.05975	44.4
173.08099	9.7
173.09601	4.6
173.13258	8.9
174.06377	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	173.1174
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
53.03940	2.4
55.05513	57.3
57.03433	2.5
57.07069	2.8
59.05005	15.8
63.04508	1.3
67.05508	100.0
68.05831	3.3
69.03410	1.7
71.04998	1.7
72.39948	1.3
72.93787	9.7
81.07065	9.2
83.04980	41.2
83.08637	7.2
85.06537	4.1
87.04485	3.1
89.02386	3.8
90.90376	1.9
90.94851	6.3
91.05483	4.3
93.07028	1.9
95.06113	2.2
95.08598	3.8
98.22561	3.2
99.04464	3.0
101.06024	31.8
103.03294	3.7
107.08628	2.0
109.10157	59.2
110.10527	1.9
111.04444	48.8
111.08104	2.0
112.04733	1.4
113.06018	5.9
113.96426	1.6
114.05536	1.6
117.07047	2.1
118.06543	3.4
119.08598	3.8
124.54200	1.3
127.07566	5.6
127.72174	1.4
129.05487	15.4
130.06593	1.5
131.08571	3.4
137.09605	2.9
145.07565	3.3
145.10068	2.0
149.94095	3.0
149.96053	2.9
155.07030	32.6
156.04416	1.2
167.97179	2.1
173.08133	40.9
173.11745	4.0
173.13278	3.5
174.08763	1.5
174.12717	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	173.1173
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
53.57112	1.0
55.05513	33.9
56.05840	1.4
57.03434	2.3
57.07078	2.5
59.05002	9.2
65.03941	1.3
67.05504	100.0
68.05830	2.2
69.03443	1.4
69.07075	1.5
70.27686	0.9
71.04989	2.8
71.20449	1.6
71.46793	0.8
72.93793	2.8
76.02238	1.1
79.05482	3.4
81.07059	13.1
83.04980	24.8
83.08623	7.3
85.06553	3.2
87.04461	2.3
87.45409	0.9
89.02406	1.6
90.94823	1.6
91.05472	4.4
91.37718	1.0
93.07043	3.0
95.08592	1.7
99.04485	1.1
101.06013	17.9
103.03255	0.9
105.07025	1.3
107.08587	2.3
109.10157	56.8
110.10490	3.1
111.04449	26.7
111.08080	1.4
113.06047	2.9
115.05468	1.9
117.07001	6.0
118.06538	1.1
119.08587	3.8
127.07579	2.7
129.05467	6.9
129.07018	1.3
131.08554	10.7
137.05995	1.3
137.09631	1.4
145.10127	2.2
155.07043	13.7
155.08200	1.7
173.08142	21.1
173.11847	1.9
173.13284	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	173.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
54.18818	1.3
54.31266	1.1
55.01865	2.5
55.05513	91.9
56.05836	2.9
56.26964	1.2
57.03432	4.8
57.07064	4.8
59.04710	1.3
59.05001	18.1
61.02922	1.7
62.88899	1.5
65.03921	1.8
67.05507	100.0
69.03419	2.3
69.07053	2.9
70.95858	1.6
71.04995	3.1
71.06097	1.5
72.93786	18.3
73.02911	1.7
73.06538	1.2
76.02230	3.4
76.80366	1.2
79.05499	2.1
81.07056	11.2
83.04982	79.7
83.08624	6.8
84.04447	1.1
84.05283	1.9
85.06532	3.6
86.06028	1.2
86.09705	54.2
87.04459	6.6
89.02406	6.3
89.05998	1.7
90.90372	2.0
90.94816	15.4
91.05474	12.1
93.07048	3.5
95.06073	2.7
95.08601	3.4
99.04439	3.8
101.06021	56.3
102.04753	1.6
102.06355	1.5
103.03254	3.2
103.05469	1.9
105.07040	4.9
107.08555	1.5
108.95882	6.4
109.07638	1.8
109.10159	61.4
110.10480	2.6
111.04444	88.1
111.08065	1.3
112.04762	3.5
113.06010	8.1
113.96391	3.1
114.05487	1.1
115.05463	20.0
117.07034	14.7
118.06529	4.7
119.08601	4.4
127.07561	9.9
128.07047	2.1
129.05486	35.1
129.06947	2.1
129.83594	1.2
130.04205	1.3
131.08578	17.6
131.97415	4.6
132.06573	1.2
132.08102	1.6
132.95836	2.9
137.05988	3.6
137.07024	1.5
137.09689	1.5
145.06482	12.8
145.07637	4.1
145.10110	7.0
146.05928	2.3
147.06483	2.0
147.97626	1.3
149.94096	1.5
149.96112	5.2
149.97224	1.2
149.98486	1.9
150.96892	4.4
155.06062	4.9
155.07054	56.9
156.07391	2.0
158.10924	3.5
167.97151	6.4
173.05934	8.1
173.08128	78.2
173.11731	4.2
173.13199	20.2
174.08607	2.0
174.12605	2.2
174.14908	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	173.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.02446	2.5
55.05516	99.7
59.05013	17.0
61.34371	2.3
65.03944	4.2
67.05511	80.8
72.93791	14.1
73.02925	2.8
74.38445	2.6
76.02239	3.5
81.04556	3.2
81.07063	8.2
83.04990	93.4
83.08636	4.0
84.04505	3.1
84.05295	4.0
85.06546	4.2
87.04462	4.8
89.02420	7.4
89.45702	2.8
90.90405	13.0
90.94845	12.4
91.05503	7.5
95.06086	6.6
99.04463	4.9
101.06036	61.5
103.03313	11.9
108.91431	3.1
108.95873	3.9
109.07643	3.2
109.10163	50.8
111.04449	100.0
112.04815	4.8
113.06031	9.0
117.07011	3.9
118.06577	5.5
127.07578	11.9
129.05484	38.5
129.06927	2.7
131.08594	15.1
131.93015	2.9
137.07190	4.9
145.07622	9.6
145.10152	7.1
146.05991	4.4
149.94055	8.7
155.07039	64.8
155.08163	4.5
156.04454	2.9
156.07410	4.0
158.10966	4.7
167.97197	4.5
173.08153	74.8
173.13147	17.3
174.05519	7.1
174.12811	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	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.86434	0.4
53.03920	0.4
55.05512	13.2
56.05847	0.9
57.07087	0.6
59.05016	2.3
65.03940	0.5
67.01842	0.6
67.05506	3.2
69.03436	0.7
69.62566	0.4
70.67574	1.1
72.93790	4.9
73.02923	0.5
79.05492	1.6
81.07072	1.7
83.04985	13.2
87.04467	1.1
89.02406	0.9
89.94067	0.7
90.94825	2.8
91.05483	9.6
93.03376	0.4
93.07069	1.1
99.04435	0.5
101.06019	8.4
103.03278	0.5
103.05442	0.5
104.76523	0.4
105.07033	8.2
106.07327	0.6
106.88921	0.4
108.95834	0.5
111.04448	16.4
112.04847	0.5
113.06015	1.2
115.05454	3.9
116.06248	1.9
117.07025	6.7
119.08582	16.7
119.45441	0.5
120.08902	1.0
127.07551	1.6
128.06210	2.1
128.57330	0.5
129.05511	3.8
129.07001	10.3
130.07874	2.5
131.08569	62.7
132.08852	2.9
132.95850	0.7
133.10117	2.8
142.07774	1.1
143.08565	26.5
144.09369	9.1
145.06526	2.8
145.10127	30.3
146.10454	1.9
149.96092	1.0
150.96895	1.2
155.05885	0.7
155.07051	8.2
155.08372	1.1
156.09370	1.5
157.10164	1.2
158.10916	38.6
159.11246	1.9
167.97173	0.9
171.11699	3.0
173.05942	2.0
173.08139	11.0
173.09654	2.9
173.13261	100.0
174.13658	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	173.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.1
57.07091	1.1
59.04999	4.6
61.63127	0.8
67.05515	1.8
69.03413	1.1
69.07069	10.7
69.09715	8.0
71.08636	100.0
72.08964	2.5
76.02207	0.9
79.05499	1.2
81.07060	2.2
83.04986	11.3
85.06528	1.3
91.05481	4.0
93.66584	0.9
95.04957	0.9
99.08100	51.9
100.08478	1.8
101.06003	6.9
101.50298	0.9
105.07041	3.5
111.04449	13.3
113.05984	1.2
115.05453	4.3
117.07012	4.8
119.08584	2.8
124.68712	1.0
127.07541	1.9
129.05489	2.8
129.07048	2.3
129.12747	3.0
131.08575	16.8
143.08562	3.8
144.09373	1.5
145.06503	2.9
145.10118	7.7
146.06000	1.2
155.06010	1.5
155.07066	6.8
155.08392	1.9
156.07416	0.9
158.07246	2.1
158.10936	4.0
173.05856	1.9
173.08142	10.0
173.09654	9.2
173.13261	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	174.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03953	0.3
55.05505	0.7
56.05844	1.1
57.03428	0.5
57.07073	4.5
59.04996	0.3
61.02927	3.3
61.12276	0.3
67.05498	0.9
68.05838	1.2
69.03442	0.4
69.07050	0.3
70.06593	0.5
70.95857	0.6
71.31405	0.5
72.93785	0.7
73.02915	1.2
73.93797	0.3
75.90838	0.3
81.83479	0.3
83.04983	1.0
84.04516	0.5
84.05302	0.9
86.06046	0.4
86.09705	100.0
87.10021	2.0
89.06022	2.3
91.05482	1.4
98.97849	0.5
98.98463	7.0
101.06031	0.7
102.06335	0.8
103.05453	0.4
104.06275	0.5
105.07012	1.1
106.06543	0.4
110.10484	1.1
111.04424	0.7
112.04774	0.9
114.05495	0.7
115.05457	2.0
116.05788	1.0
117.07052	0.6
118.06544	0.8
118.07312	0.6
119.08572	2.0
128.07048	0.6
129.06956	0.4
130.05801	0.6
131.04938	0.4
131.08565	0.5
131.97415	0.4
132.05666	1.0
132.06529	0.6
132.08113	1.0
132.95811	0.7
133.10127	0.9
143.04909	0.5
144.08069	0.3
146.05925	0.5
146.06953	0.4
146.11774	0.5
147.08031	1.0
149.98512	0.6
150.96883	1.4
156.07388	1.4
157.07565	0.3
160.05235	2.1
174.05434	0.6
174.12770	2.2
174.14896	11.9
175.07506	3.4
175.08762	0.5
175.11145	0.8
175.14951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03953	0.6
54.48122	0.4
55.01869	1.8
61.58998	0.4
65.03942	1.0
69.03429	1.0
69.07063	0.8
70.06588	0.9
79.05495	2.4
80.90184	0.4
81.07059	1.1
89.03931	0.8
90.45895	0.5
91.05481	25.2
92.05821	1.0
93.07030	1.2
98.23461	1.0
98.98463	4.8
103.05477	2.2
104.06258	1.4
105.03390	1.2
105.07040	5.2
107.04953	10.9
109.02889	0.7
115.05453	3.0
116.07027	0.5
116.97246	0.6
117.07003	5.9
118.06574	0.6
119.04971	3.3
119.08578	19.7
120.08907	0.8
128.06206	6.3
129.07008	12.1
130.06511	1.2
130.07364	0.5
131.04939	2.0
131.08553	1.7
132.05725	8.7
133.06522	2.3
133.10135	3.9
134.03644	5.9
135.04420	0.9
142.07751	0.8
145.06474	2.0
147.04408	100.0
147.08044	81.0
147.26849	0.5
148.04726	4.2
148.08395	3.4
155.06029	1.5
157.06526	4.1
157.10101	1.4
160.05203	5.6
175.07544	66.4
175.10968	4.0
175.14752	3.6
176.07974	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	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.05513	3.2
58.66990	0.4
65.03941	0.4
67.05503	1.5
69.07064	4.9
69.33485	2.9
79.05482	2.2
81.07068	5.1
83.08627	1.2
83.83628	0.4
89.03909	0.6
90.04688	0.4
91.05481	10.3
93.07059	3.2
95.04990	0.6
95.08620	3.3
98.98493	2.7
103.05469	1.5
104.06248	1.8
105.03391	1.5
105.07032	17.9
107.04890	0.5
107.08605	2.9
110.91057	0.4
115.05459	52.7
115.25253	0.4
116.06374	3.2
117.07027	13.2
119.04932	1.5
119.08585	29.2
121.10143	0.6
128.06227	3.2
129.07021	4.7
129.10541	0.4
131.04918	3.3
131.08566	2.1
132.05713	10.7
132.09331	0.5
133.06390	0.6
133.10135	22.5
134.10477	0.7
142.04158	0.5
142.07785	1.1
143.03859	0.9
143.04926	9.0
144.05711	14.3
145.06398	1.5
145.10107	2.9
146.07159	0.6
146.10861	0.6
147.08043	6.0
147.11707	5.3
148.08539	0.4
155.06070	2.0
157.10124	1.3
159.04420	1.0
160.05202	86.9
160.12444	0.9
161.05563	3.7
173.13211	0.6
175.07552	100.0
175.11002	5.7
175.14825	25.2
175.16417	0.6
176.07936	5.0
176.11555	0.6
176.15166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.74619	0.4
55.05517	0.7
67.05526	0.9
69.07083	1.3
69.40974	1.3
69.41399	1.1
70.06612	0.8
79.05523	0.8
81.07075	1.7
83.05016	0.5
86.06087	0.3
91.05490	6.2
93.07056	1.3
95.08648	0.6
98.98472	14.0
103.05484	1.0
104.06271	1.1
104.89127	0.4
105.03405	1.0
105.07039	6.7
106.07368	0.5
107.04960	0.5
107.08570	0.9
113.70562	0.4
115.05463	44.4
116.05698	0.9
116.06265	2.3
116.97204	0.9
116.98647	0.4
117.07034	11.6
118.04231	0.5
119.04958	0.8
119.08582	13.0
120.08910	0.6
128.06239	3.1
129.07025	5.0
130.06555	0.4
131.04932	2.9
131.08591	1.9
132.05724	7.6
133.06352	0.4
133.10129	7.0
142.04132	0.4
142.07857	0.5
143.04942	6.8
144.05716	12.7
145.06441	1.2
145.10170	1.0
146.07324	0.5
147.04407	0.6
147.08066	5.7
147.11711	2.8
148.10080	0.4
155.06053	1.4
157.04362	0.7
157.10112	1.1
159.04387	0.7
160.05205	85.4
161.05588	4.7
174.06755	0.4
175.07552	100.0
175.11188	3.8
175.14818	8.6
176.07982	6.0
179.94498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	D-Arginine
Peak:m/z	Relative Intensity
53.02827	0.3
60.05651	34.9
69.61777	0.6
69.62138	1.2
70.06594	100.0
71.05003	1.9
71.06928	1.9
72.08154	4.1
82.62921	0.3
84.08165	0.5
97.07652	0.6
98.06078	0.6
100.17412	0.3
112.08737	4.1
113.07134	0.4
114.10294	0.9
115.08691	1.0
116.07099	27.2
117.07422	0.7
130.09770	12.1
131.00705	0.3
132.02118	42.1
141.06544	0.3
154.04929	0.4
157.10909	0.9
158.09261	7.3
175.11916	17.4
176.01097	8.4
182.92859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03951	1.6
55.05494	4.2
61.97643	1.0
67.05504	14.0
69.07068	4.9
70.06582	3.2
71.30548	1.2
79.05502	18.9
81.07063	28.9
82.07384	1.1
83.08652	1.6
86.59376	1.0
91.05486	27.5
92.05799	0.9
93.07047	28.8
95.04978	1.7
95.08613	20.5
98.98470	19.5
105.07034	31.5
106.07351	1.3
107.08596	11.0
109.10155	2.6
116.07127	1.0
117.07035	2.4
118.07858	1.0
119.08585	44.6
120.08916	2.4
121.10133	5.7
129.07043	1.0
131.08559	4.1
133.10133	48.0
134.10500	1.9
142.07791	3.0
145.06534	1.2
145.10085	1.9
147.08028	1.2
147.09183	1.0
147.11682	17.3
157.04295	4.3
157.10153	3.1
160.08842	1.4
173.13306	2.0
175.07451	2.5
175.08794	2.5
175.11241	11.2
175.14830	100.0
176.07030	1.2
176.10579	1.2
176.15228	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03940	2.0
54.94164	0.9
55.05513	12.7
55.48426	1.0
55.63461	1.0
57.98293	0.9
58.87262	0.9
65.03936	3.9
65.34624	0.9
67.05516	4.5
69.06728	1.4
69.07074	14.5
69.30775	6.9
69.31178	1.6
77.03947	0.9
79.05500	5.5
81.07063	19.1
83.08601	4.9
89.03941	2.3
91.05482	52.3
92.05805	2.9
93.07034	12.5
95.04971	1.4
95.08596	12.1
98.98463	7.4
103.05465	3.0
104.06216	1.0
105.07035	63.6
106.07357	2.4
107.08598	11.3
107.91338	0.9
115.05485	2.6
117.07042	5.8
119.04959	13.0
119.08585	100.0
120.08865	4.5
121.06540	1.2
121.10138	1.7
129.06990	4.0
130.06526	3.6
131.08557	11.9
132.05745	1.9
133.06514	3.0
133.10135	67.6
134.10472	3.5
142.07809	2.5
144.05765	1.0
145.06512	1.8
145.10104	6.5
146.10931	4.7
147.04401	9.2
147.08052	5.4
147.11690	20.4
157.03958	1.1
158.05991	1.8
160.05197	3.5
160.08844	3.0
160.12448	2.3
173.13295	2.6
175.03894	2.9
175.07509	8.8
175.11235	12.8
175.14832	93.7
176.11649	1.2
176.15154	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02428	0.6
52.90577	0.7
53.03960	1.0
55.05518	11.0
65.03928	1.0
67.05515	2.9
69.07069	23.3
70.33321	1.3
70.33672	1.5
79.05497	4.7
81.07063	9.4
83.08628	5.5
91.05484	17.3
93.07043	5.8
95.08609	7.2
98.98454	2.5
99.30450	0.8
103.05466	1.1
105.07034	36.9
106.07364	0.7
107.08599	6.5
115.05451	2.0
116.41570	0.9
117.07019	4.7
119.08584	100.0
120.08968	3.0
121.10138	2.8
129.03294	1.1
129.06998	1.2
131.08588	7.2
132.09328	1.5
133.02763	0.7
133.10133	85.3
134.10533	2.8
145.10123	8.7
146.10915	1.7
147.04451	1.1
147.08099	1.0
147.11688	14.5
158.10872	0.7
159.11617	0.9
160.05229	1.5
160.12437	4.1
173.13290	2.4
175.03851	1.1
175.07576	2.9
175.11404	4.7
175.14828	92.3
176.07025	1.4
176.15166	6.6
178.48427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03939	0.9
53.19016	0.5
55.01875	0.5
55.05514	9.7
57.07072	0.6
65.03916	1.1
67.05508	4.3
69.07069	25.8
69.16295	0.4
69.39250	1.3
69.39680	1.7
70.07410	0.4
77.03918	0.7
79.05491	4.8
81.07058	14.1
83.08615	5.7
91.05479	16.5
92.05815	0.6
93.07051	6.2
95.04971	0.4
95.08605	9.4
96.08944	0.4
98.98473	1.6
103.05473	1.6
104.06275	0.7
104.93880	0.4
105.07030	42.8
106.07359	1.1
107.08597	7.5
109.10144	1.0
115.05442	1.6
116.06294	0.5
117.07011	5.9
118.07796	0.5
119.08579	100.0
120.08819	3.6
121.10158	3.6
128.06190	0.8
129.06999	1.5
130.06541	0.4
131.04907	0.5
131.08554	8.3
131.09479	0.6
132.05743	0.9
132.09296	0.6
133.10127	93.5
134.10435	3.6
135.11674	0.7
142.07776	1.1
145.06491	0.7
145.10139	9.0
146.10953	2.1
147.08063	1.2
147.11682	14.9
148.12000	0.6
157.10144	1.6
158.10904	0.8
159.11649	0.8
160.05196	1.8
160.08694	0.8
160.12485	4.3
173.13286	2.6
175.07535	3.8
175.11427	4.5
175.14821	97.9
176.15169	5.2
194.78828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05517	7.8
57.07081	1.3
60.25142	0.5
60.39368	0.7
65.03952	0.8
67.05508	2.8
69.07073	24.1
69.15816	3.2
69.16230	1.3
75.12788	0.5
77.03917	0.7
79.05512	3.3
81.07057	6.2
83.08626	4.9
91.05487	14.0
92.05816	1.1
93.07039	4.0
95.08611	5.7
98.98458	3.3
104.06293	0.6
105.07034	28.0
106.07325	1.0
107.08601	5.9
115.05468	1.9
117.07032	3.4
117.83038	0.6
119.04951	1.6
119.08585	97.5
119.21661	0.6
120.08814	2.9
121.10157	3.6
129.07018	1.3
131.08588	4.4
132.05765	1.0
132.09406	0.8
133.10135	85.8
134.10355	3.3
135.11690	0.8
145.10110	7.9
146.10872	0.8
147.04422	1.7
147.08043	2.4
147.11700	13.1
148.12068	0.9
157.10170	0.6
159.11688	0.7
160.05208	1.8
160.12497	5.3
173.13283	2.8
175.07512	4.5
175.14828	100.0
176.15202	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84438	0.6
51.02379	0.8
51.24377	0.5
53.03945	1.3
55.01874	1.1
55.05513	10.5
57.07073	0.9
60.05659	0.6
65.03944	0.8
67.05503	4.1
69.07072	24.4
69.12981	1.4
69.13374	3.7
70.06596	1.9
70.07406	0.6
77.03928	0.9
79.05494	6.3
81.07060	17.2
83.08636	4.0
84.98978	0.7
91.05485	24.2
92.05824	0.8
93.07041	7.9
95.04964	1.2
95.08610	10.5
98.97556	1.0
98.97803	0.9
98.98477	11.9
103.05486	1.6
104.06276	1.3
105.07034	47.6
106.07383	1.5
107.08595	10.9
109.02895	0.8
109.10201	1.5
115.05445	3.9
116.06281	0.9
116.07025	0.7
116.97225	1.1
117.07027	6.3
118.07865	0.7
119.04994	2.8
119.08583	100.0
120.08855	4.5
121.06531	0.8
121.10177	3.9
128.06223	1.5
129.07034	3.5
130.79231	0.5
131.04918	0.8
131.08562	10.0
131.09496	0.9
132.05705	2.4
132.09413	0.8
133.03210	0.6
133.06471	2.8
133.10132	87.3
134.10432	3.8
135.11642	0.8
142.07774	1.6
145.06528	0.7
145.10124	8.2
146.07272	1.2
146.10919	1.5
147.04413	0.9
147.08037	5.3
147.11690	16.1
153.29401	0.6
157.10170	2.8
158.10873	0.8
159.11725	0.8
160.05185	5.3
160.08868	1.5
160.12436	3.5
163.49121	0.6
173.13292	2.2
175.07549	13.2
175.08922	1.2
175.11244	10.0
175.14825	93.2
175.77057	0.6
176.15199	6.6
193.03871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.00331	0.6
53.76343	0.5
55.01879	0.6
55.05518	9.2
57.07102	0.6
60.05663	0.8
65.03951	1.0
67.05506	3.9
69.02792	5.9
69.07076	27.1
70.06593	1.8
70.07430	1.1
71.60911	0.5
79.05501	3.9
81.07062	8.3
83.08624	4.8
91.05494	15.4
92.90448	0.7
93.07052	6.0
93.11999	0.5
95.08620	6.5
98.98477	19.4
98.99124	1.3
103.05478	0.8
105.07040	33.7
106.07375	0.9
107.08600	6.1
107.61948	0.6
109.10187	0.8
115.05427	2.0
116.07067	0.7
116.97215	1.0
117.07022	4.5
119.08589	100.0
120.08829	3.2
121.09405	0.5
121.10148	3.4
129.07007	1.6
131.08585	7.1
132.05719	0.6
132.09360	1.4
133.10139	88.6
134.10420	3.5
135.11719	1.1
142.07759	0.7
145.10138	8.7
146.10893	1.2
147.08049	0.6
147.10608	1.0
147.11705	12.7
151.93924	0.6
157.04243	0.6
157.10123	1.9
158.10794	0.6
159.11700	1.1
160.05196	1.3
160.08792	1.1
160.12498	4.7
173.13228	2.7
175.07385	3.1
175.08794	1.5
175.11302	7.9
175.14835	99.8
176.06990	1.2
176.15172	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05512	10.5
57.07067	1.0
65.03925	1.8
67.05510	2.7
69.03396	0.8
69.07070	22.0
70.28969	1.4
77.03915	0.7
79.05506	3.6
81.03398	0.6
81.07056	6.6
82.04968	0.4
83.04980	9.8
83.08617	4.3
83.24902	0.4
84.05315	0.6
91.05487	18.2
92.05820	0.9
93.07065	4.2
95.08611	6.0
96.45489	0.5
98.97549	0.5
98.98479	4.6
103.05460	1.8
105.07034	32.6
106.07369	1.5
107.04973	0.9
107.08604	6.6
115.05456	2.8
117.07030	5.4
119.04951	3.7
119.08585	100.0
120.08858	4.0
121.06507	1.0
121.10135	2.7
122.61282	0.5
128.06219	0.9
129.07007	2.5
130.06508	1.1
131.04956	0.7
131.08571	6.2
132.05710	2.0
133.06529	1.9
133.10133	78.4
134.10410	3.1
135.08055	1.4
135.11720	0.8
142.07770	2.1
143.04958	0.7
145.06519	3.8
145.10147	7.7
146.07263	1.5
146.10757	0.6
147.04449	2.9
147.08070	4.6
147.11696	16.7
148.11995	0.8
157.06476	0.6
157.10135	1.6
159.11713	0.8
160.05241	3.7
160.08849	11.3
160.12497	4.3
161.09291	0.7
173.13263	3.1
175.03893	1.2
175.07565	7.3
175.11230	25.4
175.14832	92.3
176.11557	1.5
176.15178	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02383	0.6
53.03954	1.0
55.05512	7.0
67.05521	2.6
68.81127	0.4
69.07073	20.0
70.06587	1.2
79.05502	4.2
81.07063	14.4
82.07391	0.6
83.08626	4.2
91.05487	12.4
92.05804	0.4
93.07043	6.4
94.07410	0.5
95.08607	10.6
98.98481	3.4
103.05473	0.8
105.07037	36.8
106.07367	1.0
107.07938	0.9
107.08605	9.0
116.06157	0.5
116.07092	0.5
117.07037	4.6
118.07774	0.6
119.08585	92.1
120.08874	3.6
121.10146	1.9
131.08571	6.0
133.10136	83.1
134.10469	3.6
135.11697	1.1
141.75705	0.5
145.10136	6.3
146.10876	1.1
147.08014	0.5
147.11691	13.6
148.11995	0.6
155.01382	0.5
157.04263	2.4
159.11729	1.0
160.08920	0.5
160.12492	4.3
170.54866	0.4
173.13243	3.0
175.11295	2.3
175.14830	100.0
176.15163	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.49799	1.1
55.05496	6.3
60.05663	1.3
60.49732	1.1
67.05498	5.4
69.07072	9.4
70.06588	3.7
73.89729	1.1
79.05500	7.8
81.07057	25.3
83.08606	2.1
91.05479	19.4
93.07043	13.3
95.08036	1.9
95.08605	19.5
96.70599	1.2
98.98482	2.9
100.25207	1.5
103.05475	2.1
105.07035	48.3
106.07373	2.5
107.08589	14.7
109.10105	1.4
117.07004	4.5
119.08583	100.0
120.08825	2.6
120.28323	1.2
121.10136	2.8
125.63126	1.1
131.08572	8.6
133.10132	65.9
134.07155	1.8
134.10477	4.4
145.10081	6.2
146.10947	3.1
147.11693	22.1
152.32988	1.3
157.04271	6.2
160.12448	2.9
173.13339	1.9
175.14827	90.7
176.15211	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05636	1.3
62.51735	0.8
70.06583	3.0
70.58604	1.4
70.58931	1.2
71.06928	3.4
93.96810	0.8
100.91293	0.8
117.07397	1.0
132.02118	100.0
133.02405	2.3
145.99043	0.8
168.34145	0.9
171.33563	0.8
176.01097	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	177.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96301	1.1
56.96570	14.9
70.51923	1.6
71.95277	3.7
98.97594	100.0
99.97930	2.6
103.00645	0.8
105.02204	1.0
107.45656	0.6
109.02730	0.6
113.00871	0.9
116.98633	62.1
117.03440	0.6
117.98991	2.1
119.01926	1.3
121.01669	2.5
131.01932	1.8
134.41907	0.6
134.99666	25.0
135.03214	3.4
135.99956	1.0
136.28572	0.6
136.92201	0.7
140.00159	0.8
149.02368	0.7
149.06012	0.7
153.00734	2.2
153.04298	0.6
154.03520	1.3
154.93185	0.9
158.01321	0.6
160.04573	1.5
172.94307	2.3
173.02979	1.6
177.00908	5.2
177.04211	4.1
190.95343	1.9
193.79887	0.6
195.01987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03949	2.1
55.97457	0.6
63.02390	1.7
70.63081	1.4
77.03928	1.5
78.04717	4.3
79.05499	1.1
89.03922	59.5
90.04244	1.8
91.05485	8.4
93.07045	1.3
95.04979	2.1
98.23278	0.6
98.98431	0.9
103.05476	4.2
105.03406	1.4
105.04552	1.0
106.04179	5.9
107.04967	2.0
107.08613	0.9
117.03384	96.1
118.03732	2.5
119.04964	1.0
121.06512	14.7
124.05223	0.6
128.15723	0.6
131.04965	1.6
134.03638	12.0
135.04465	5.4
135.08098	0.6
145.02853	100.0
146.03169	4.1
149.05986	71.7
150.06287	2.8
159.11720	0.9
162.03081	3.0
163.03906	2.6
177.05470	33.8
177.08997	1.0
177.12758	1.0
178.05949	1.9
183.06892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.75624	0.3
53.03938	0.8
63.02383	1.5
69.95802	1.0
69.96128	0.4
77.04539	0.3
78.04720	3.8
79.05485	0.5
89.03917	50.2
89.84946	0.4
90.04245	1.4
90.22334	0.4
91.05489	3.9
93.07042	0.7
95.04977	0.9
98.23306	0.4
98.97611	0.5
98.98460	1.0
103.05466	2.0
103.99374	0.4
105.03400	1.0
106.04175	4.7
107.04987	0.4
117.03380	83.8
118.03685	2.8
119.04939	0.4
121.06515	1.5
124.05235	0.4
129.04498	0.5
131.08444	0.5
134.03636	11.6
135.04407	5.4
144.12650	0.5
145.02846	100.0
146.03200	3.5
149.05980	26.5
150.06363	1.3
158.05978	0.4
162.03139	2.0
163.03918	2.7
177.05464	25.3
177.08904	0.7
178.05881	0.7
186.05568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.5
63.02387	1.1
65.03940	0.4
67.05505	1.2
69.69031	1.6
69.69427	0.8
71.05001	2.0
78.04716	4.6
79.05489	0.9
81.07049	1.9
89.03918	52.2
90.04250	1.4
91.05484	4.9
93.07050	1.4
95.04965	1.3
95.08627	0.4
103.05473	2.4
105.03435	0.8
105.04508	0.4
105.07036	1.7
106.04176	4.2
107.04969	0.4
107.08597	0.8
117.03379	87.1
117.07037	1.0
118.03679	2.1
119.04915	0.8
121.06503	2.6
121.10136	0.6
124.05216	0.9
131.04926	1.0
131.08588	0.8
134.03638	11.2
135.04413	5.7
135.08025	0.9
141.12727	0.6
141.23207	0.4
144.09253	0.4
145.02847	100.0
146.03180	2.8
147.04324	0.5
149.05980	27.3
150.06384	0.8
158.06084	0.5
159.04379	0.5
159.11676	1.0
162.03122	2.8
163.03841	2.3
177.05463	26.2
177.09052	1.3
177.12708	1.8
178.05806	1.0
198.86110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.5
50.54205	0.4
53.03954	1.5
55.01869	1.7
55.05516	1.6
56.98531	0.5
57.03437	3.8
57.07077	68.0
58.07408	1.3
62.01612	0.5
63.02395	1.8
65.03942	1.0
66.83292	0.5
67.05508	2.0
69.03423	1.2
69.07079	0.9
69.47846	0.4
69.78036	0.9
69.78449	1.4
71.04974	0.8
77.03934	0.5
78.04713	5.1
79.05501	4.1
81.03444	1.0
81.07066	2.8
85.06549	6.8
89.03918	56.2
90.04256	2.2
91.05480	11.6
92.05820	0.6
93.07038	7.7
95.04961	2.9
95.08610	1.1
98.98480	2.7
103.05472	4.6
103.07578	4.1
105.03398	1.0
105.04519	0.9
105.07032	4.5
106.04180	8.7
106.12217	0.4
107.04982	2.2
107.08582	4.2
109.06525	1.2
115.05447	1.2
116.06205	0.5
117.03380	86.2
117.07039	2.9
118.03623	2.8
119.04948	0.8
119.08582	3.1
120.08926	0.6
121.02818	0.7
121.06506	8.5
121.10137	3.5
124.05230	0.9
129.07014	0.9
131.04930	2.5
131.06888	0.7
131.08559	4.0
133.06505	0.6
133.10170	1.4
134.03636	13.0
135.04436	7.9
135.08044	2.5
135.11684	2.0
144.09354	1.0
145.02846	100.0
146.03168	4.7
147.04445	0.7
149.02333	1.0
149.05978	37.5
149.09618	1.3
149.13269	0.7
150.06332	1.5
158.06042	0.6
158.26338	0.4
159.04410	0.6
159.06442	0.5
159.08047	0.8
159.10159	4.0
159.11690	3.5
162.03111	8.4
162.06708	0.4
163.03912	3.5
177.05464	34.8
177.08978	3.4
177.12749	9.1
177.16460	0.5
178.05902	1.3
178.07767	1.2
186.05487	1.0
192.62263	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02378	0.5
53.03943	2.1
55.01874	6.3
55.05512	4.6
56.47478	0.4
57.03429	2.0
57.07064	0.5
61.60648	0.4
65.03936	1.9
67.05508	21.2
68.05840	0.5
69.03425	0.9
69.07070	6.0
71.04969	0.8
71.20995	0.7
72.35736	0.4
77.03970	0.9
79.05497	32.7
80.05814	1.0
81.03425	5.2
81.07061	35.3
82.07380	0.9
83.04977	4.5
83.08631	2.8
85.06532	1.2
89.03899	0.5
91.05485	30.7
92.05803	0.9
93.07048	46.5
94.07378	1.4
95.04974	10.2
95.08611	8.0
97.06538	9.1
98.98469	0.6
99.08095	0.6
103.05479	0.8
105.04504	0.5
105.07036	22.6
106.04185	1.1
106.07392	1.0
107.04971	4.5
107.08597	17.8
108.08888	0.5
109.06532	5.2
111.08102	4.1
115.05426	1.3
117.07024	22.8
119.08589	6.5
121.06516	3.5
121.10148	8.7
123.08080	0.7
126.74952	0.4
129.07013	2.3
130.07872	0.9
131.08577	25.9
132.08913	1.3
133.06499	0.7
133.10139	31.4
134.10458	1.8
135.08058	11.3
135.11690	8.1
136.08720	0.6
136.12025	0.5
144.09395	2.4
148.08821	0.5
149.06003	0.4
149.09674	4.2
149.13263	16.2
150.13608	0.7
157.10147	1.3
159.11702	42.4
160.12059	1.6
177.12753	100.0
178.13127	5.4
194.09412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.25066	0.5
53.03937	2.2
55.01872	4.7
55.05515	4.2
57.03429	2.0
65.03933	1.2
67.05508	20.8
69.07075	6.3
70.17577	1.8
70.17926	0.6
71.05000	0.7
79.05498	30.2
80.05827	0.9
81.03429	4.1
81.07063	32.7
83.04986	4.2
83.08619	2.3
84.64916	0.6
85.06545	1.1
91.05485	30.9
92.05807	1.0
93.07050	45.3
94.07366	1.7
95.04976	9.1
95.08604	7.6
97.06535	7.7
98.98463	0.9
103.05476	0.8
105.07038	20.1
106.04184	1.1
106.07378	1.1
107.04961	2.4
107.08601	19.9
108.08949	0.7
109.06532	4.2
109.10146	0.7
111.08082	4.1
115.05453	1.1
117.06198	1.3
117.07028	21.9
119.08585	6.1
121.06535	4.3
121.10157	8.5
123.08057	0.8
129.07027	1.1
130.07800	1.2
131.08577	24.3
132.08905	0.9
133.10133	28.6
134.10458	1.6
135.08075	10.6
135.11694	10.7
136.11983	0.6
144.09332	1.8
148.08755	0.7
149.09662	4.0
149.13261	14.3
150.13599	1.0
157.10139	0.9
159.11705	38.9
160.12093	2.8
172.34138	0.5
176.78044	0.6
177.12755	100.0
178.13118	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
52.98077	0.6
53.03935	2.7
55.01869	1.7
55.05272	0.9
55.05514	11.0
57.03417	1.1
57.07063	0.6
63.02378	0.9
65.03933	1.6
66.17490	0.6
66.37929	0.7
67.05508	3.9
69.03431	17.4
69.07069	6.3
71.04989	2.4
71.30806	0.8
78.04707	3.2
79.05497	8.3
81.07057	11.0
82.07407	0.7
83.04994	4.1
83.08636	1.0
84.85571	0.6
85.06514	0.7
89.03396	1.2
89.03916	17.4
90.04225	1.0
91.05481	15.9
91.49432	0.6
93.07049	18.3
94.07360	1.0
95.04969	3.4
95.08606	5.4
97.06559	3.1
98.98440	1.1
103.05457	2.5
105.03425	0.7
105.04531	0.8
105.07030	17.1
106.04170	9.4
107.05006	3.0
107.08598	25.5
108.05746	0.9
108.08933	0.8
109.06547	4.1
109.10158	1.0
115.05441	1.2
117.03386	24.9
117.07014	7.1
119.04992	1.0
119.08584	9.8
121.06506	15.5
121.09303	0.9
121.10153	13.0
123.08064	11.3
129.07014	4.8
130.07814	1.4
131.04921	1.7
131.08571	11.7
133.06372	0.7
133.10135	8.8
134.03641	3.6
135.04420	1.8
135.08055	21.1
135.11691	13.2
136.12054	0.8
144.09348	8.6
145.01714	1.4
145.02850	26.4
146.03242	1.5
147.08084	2.4
149.05981	11.7
149.09636	1.9
149.13286	5.1
157.10107	1.1
159.11700	35.6
160.12007	1.9
161.09621	0.7
162.03130	2.2
162.10435	3.7
163.03860	0.9
177.03937	1.1
177.05489	10.4
177.09207	2.1
177.12752	100.0
177.16301	2.7
178.13161	4.5
182.60150	0.6
182.95071	0.6
185.06320	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.02382	1.4
53.03947	3.3
55.01883	6.2
55.05526	5.2
56.96558	4.2
57.03440	1.1
65.03946	1.1
67.05176	1.7
67.05507	24.4
69.03418	1.5
69.07063	9.2
71.30343	1.1
79.05498	34.3
80.05795	1.7
81.03402	4.0
81.07059	39.4
83.04977	3.6
83.08614	4.2
88.02219	2.3
89.03909	2.8
91.05485	41.9
93.07046	54.8
95.01295	1.4
95.04968	8.9
95.08617	11.4
97.06529	11.1
98.98457	12.7
99.08134	1.0
103.05473	2.6
105.04507	1.2
105.07032	22.0
106.04184	2.3
107.04939	3.2
107.08595	27.4
108.08881	1.8
109.06520	5.7
111.08076	3.9
117.03371	2.8
117.07027	26.7
119.08598	8.3
121.06514	15.6
121.10135	16.8
123.08046	1.7
129.07005	2.3
131.08569	31.7
132.08908	1.3
133.06546	2.6
133.10130	38.0
134.10472	1.9
135.08046	10.9
135.11678	11.6
144.09332	2.2
145.02844	5.2
149.02325	2.6
149.05968	3.0
149.09644	4.4
149.13242	14.2
153.93811	1.3
159.08089	1.3
159.11691	41.6
160.12051	2.4
172.94218	1.8
177.05388	3.0
177.06601	2.8
177.09093	3.4
177.10265	3.0
177.12747	100.0
177.16367	3.4
178.05118	1.3
178.06818	1.7
178.08623	2.5
178.13174	5.5
190.95250	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	3.4
55.05511	13.4
57.07066	3.1
58.55487	0.9
65.03930	1.2
67.05507	43.8
69.07069	10.3
69.63699	0.9
71.30127	1.1
78.92446	0.9
79.05494	65.3
80.05827	1.4
81.07059	36.2
83.04973	1.4
83.08640	8.0
88.02177	1.4
91.05482	19.8
93.07044	79.4
94.07391	2.2
95.04979	6.4
95.08609	46.1
96.08931	1.4
96.22861	0.9
97.06522	2.2
97.10165	3.2
98.98463	6.5
105.04532	1.5
105.07034	8.0
107.04921	2.9
107.08596	41.5
108.08904	0.8
109.06522	2.6
109.10153	17.9
113.69530	0.9
117.03385	1.3
117.07018	4.2
119.08581	2.4
121.10145	100.0
122.10514	4.6
127.23429	0.9
131.08571	7.6
133.10121	7.6
135.08057	2.6
135.10655	1.9
135.11690	36.4
136.00896	0.9
136.12061	1.1
149.02344	1.2
149.05971	1.3
149.09615	1.8
149.13278	5.3
159.11729	8.9
177.09082	2.5
177.10356	1.6
177.12764	26.2
177.16388	53.3
178.08667	1.2
178.13243	1.6
178.16869	1.7
182.81673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03942	1.8
55.01857	0.7
55.05511	11.9
56.96577	2.4
57.07071	1.3
58.99585	6.3
65.03947	0.8
67.05511	6.8
69.07069	26.3
69.42317	3.2
71.08624	0.7
79.05058	1.0
79.05495	14.0
79.72983	0.5
80.05853	0.5
81.07056	13.8
83.08138	1.0
83.08620	17.2
84.08932	0.5
88.02180	0.5
89.03889	0.8
91.05476	9.2
93.07048	34.0
94.07401	0.7
95.04970	1.6
95.08609	36.2
96.08954	1.2
97.05874	0.5
97.06494	0.6
97.10130	2.6
98.22492	0.5
98.98463	4.8
103.05461	1.1
105.07035	10.2
107.04974	1.1
107.08595	72.0
108.08926	1.9
109.06538	1.3
109.10155	13.7
115.05466	1.9
116.06241	0.6
117.03394	1.0
117.07036	0.8
119.06034	1.2
119.08579	3.4
121.06516	1.2
121.10143	100.0
122.10462	3.2
123.08054	1.1
123.11728	0.6
131.08598	1.3
133.07565	0.5
133.10117	1.6
134.01874	1.4
135.10664	0.9
135.11696	17.1
136.11978	0.9
137.00584	0.5
145.02861	0.9
149.02359	1.2
149.06027	1.1
149.09613	0.7
149.13245	5.2
159.11661	1.5
172.94325	0.7
175.14828	0.7
177.03691	6.9
177.05421	1.5
177.06725	1.1
177.09064	0.8
177.12885	4.1
177.16386	60.3
178.07013	0.6
178.08569	1.1
178.16762	3.3
190.95226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03951	3.5
55.05510	14.3
57.07077	3.8
58.27471	1.4
65.03928	1.5
67.05510	43.1
69.07062	14.9
69.58125	6.5
79.05496	67.0
80.05823	1.5
81.07062	40.8
83.08612	7.9
86.52689	1.5
88.02227	2.6
91.05484	20.3
93.07050	77.1
95.04981	6.0
95.08610	50.2
97.06503	1.9
97.10159	2.7
98.23284	2.2
98.98473	10.4
105.07050	8.5
107.08602	42.5
108.08971	1.5
109.10168	20.7
115.59611	1.4
117.03400	2.2
117.07013	5.4
119.08582	4.6
121.06539	1.9
121.10151	100.0
122.10461	2.5
122.60546	1.7
131.08568	5.8
133.10126	7.0
135.08086	2.5
135.11700	33.9
145.02913	1.6
149.09683	1.9
149.13272	5.7
159.08008	1.7
159.11752	7.4
177.05307	1.6
177.06651	3.2
177.08978	1.8
177.10364	2.2
177.12782	24.4
177.16400	47.7
178.06902	1.3
178.08554	2.7
178.16760	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	ETHYL BENZOYLFORMATE
Peak:m/z	Relative Intensity
50.01609	0.2
51.02387	0.6
53.03712	0.4
53.03951	4.8
55.01871	0.4
55.05506	0.4
57.03440	17.0
57.07051	0.2
58.03780	0.2
67.05506	1.3
69.07061	0.6
70.92975	0.4
77.03928	1.6
77.33022	0.2
79.05494	20.3
80.05822	0.7
81.03421	0.6
81.07053	0.9
83.04985	0.9
91.05477	1.2
93.07051	1.0
95.04974	6.1
95.08607	3.0
105.03394	100.0
105.04538	3.2
105.07004	1.5
106.03730	2.6
107.08597	1.2
109.06512	0.7
109.10147	1.4
119.04943	0.5
119.08591	1.2
121.06512	0.3
121.10127	0.7
123.04434	16.5
123.08045	1.6
123.11703	0.3
124.04734	0.6
133.06480	0.6
133.10136	1.4
135.11717	0.4
137.05949	0.5
137.09590	0.9
147.04390	0.6
151.14790	0.8
161.05981	0.3
161.09619	0.4
161.13269	0.7
179.07033	12.5
179.10629	0.9
179.14293	2.5
180.07439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.2
51.02387	0.6
53.03712	0.4
53.03951	4.8
55.01871	0.4
55.05506	0.4
57.03440	17.0
57.07051	0.2
58.03780	0.2
67.05506	1.3
69.07061	0.6
70.92975	0.4
77.03928	1.6
77.33022	0.2
79.05494	20.3
80.05822	0.7
81.03421	0.6
81.07053	0.9
83.04985	0.9
91.05477	1.2
93.07051	1.0
95.04974	6.1
95.08607	3.0
105.03394	100.0
105.04538	3.2
105.07004	1.5
106.03730	2.6
107.08597	1.2
109.06512	0.7
109.10147	1.4
119.04943	0.5
119.08591	1.2
121.06512	0.3
121.10127	0.7
123.04434	16.5
123.08045	1.6
123.11703	0.3
124.04734	0.6
133.06480	0.6
133.10136	1.4
135.11717	0.4
137.05949	0.5
137.09590	0.9
147.04390	0.6
151.14790	0.8
161.05981	0.3
161.09619	0.4
161.13269	0.7
179.07033	12.5
179.10629	0.9
179.14293	2.5
180.07439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.80849	0.3
55.01881	2.7
55.49920	0.3
57.03427	0.4
65.03943	1.7
70.85806	0.6
79.05495	2.0
80.05826	0.4
81.07063	0.7
89.03928	0.7
91.05483	42.4
92.05822	1.3
93.07099	0.6
95.04962	0.7
103.05463	2.6
105.03410	1.1
105.07048	5.5
107.04986	0.8
108.05288	0.6
109.06568	0.6
112.22449	0.3
115.05478	1.4
117.03374	0.4
118.04218	2.9
119.04964	46.3
120.05304	1.5
121.06522	0.6
123.04471	0.9
132.05313	0.5
133.02878	1.1
133.06534	10.8
133.10161	0.5
136.04965	0.5
137.06027	1.5
146.03618	2.1
147.04420	100.0
148.04765	4.6
151.03906	0.4
151.07573	0.8
151.11299	0.3
152.07098	0.4
161.05991	5.8
162.06470	0.5
163.04106	0.4
164.04231	2.5
178.07822	0.5
179.03476	1.5
179.07014	14.6
179.08539	1.2
179.14384	0.5
180.07533	0.4
191.28333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.0
55.01861	7.0
56.96562	8.4
57.03439	17.3
58.03777	3.3
58.06594	3.2
60.04510	3.7
61.02922	12.3
65.03947	37.6
67.05497	17.3
69.03426	23.3
69.35771	2.6
69.81168	5.3
69.81554	9.1
71.05002	5.1
73.02933	5.8
79.05495	19.8
80.05023	2.9
80.05827	8.9
81.03430	14.0
81.07049	3.1
82.04182	15.7
85.02423	6.2
85.02908	88.6
89.03916	9.1
91.03989	6.0
91.05490	35.4
92.05797	7.3
93.03422	9.5
93.07034	17.7
94.06554	4.8
95.04976	16.1
96.04517	3.4
96.05292	3.9
97.02902	24.9
97.06535	7.6
98.97584	77.1
103.05475	13.6
105.03392	30.3
105.07053	5.5
106.03723	53.3
106.06551	4.4
107.04973	6.8
107.08602	8.2
108.02110	7.1
109.02895	9.0
109.06584	3.3
110.03673	17.0
111.04478	4.3
116.98626	67.1
117.03389	9.0
117.07043	5.2
119.04931	9.1
119.07301	4.0
120.05269	7.0
120.08126	9.5
121.06508	22.0
121.10150	5.6
123.00790	5.8
123.04462	8.4
124.04790	13.9
124.07587	3.4
125.05981	8.3
127.03935	14.8
134.03209	12.6
134.06027	7.2
134.09657	23.1
134.99661	33.0
135.04422	19.5
135.08116	5.7
136.07578	6.5
137.05971	21.6
138.03122	7.8
138.06616	3.4
142.02647	9.6
144.06505	3.6
145.02853	6.9
145.04965	10.5
147.04384	3.5
148.04774	13.4
149.04706	2.9
149.06003	8.0
151.03899	3.1
151.09952	6.2
152.07162	5.3
153.00725	4.8
153.07043	3.2
162.09105	37.0
163.03926	37.1
163.07574	6.2
166.93721	3.1
167.45914	3.1
171.06516	15.4
179.08192	13.5
180.03752	22.9
180.06581	17.8
180.07568	5.1
180.08891	19.4
180.10255	16.3
181.04988	100.0
181.06487	15.5
181.08577	13.9
181.10078	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	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.5
56.96556	5.6
57.03440	15.1
61.02917	11.1
69.03432	48.5
69.94698	6.5
69.95084	6.2
72.04515	18.4
73.02914	10.5
81.03416	7.8
84.04472	4.6
85.02900	100.0
96.04516	4.4
97.02893	25.1
97.25562	3.0
98.06036	3.4
98.22701	3.9
98.97614	3.9
99.04466	10.2
101.02389	10.6
109.02863	5.3
114.05521	6.7
117.70111	3.3
121.06573	3.7
127.03909	59.5
143.25603	3.1
144.06491	3.3
145.04971	22.8
149.60248	3.0
156.97426	3.9
157.03496	5.4
162.07680	3.3
163.03819	3.5
163.06009	4.9
175.04572	4.9
180.06549	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	180.1019
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03947	0.9
60.66010	0.5
65.03955	1.1
69.95969	2.5
72.04520	30.3
79.05493	4.8
81.03416	0.8
85.02936	1.1
89.03919	14.4
90.04226	0.6
91.05482	63.4
92.05824	2.1
93.07060	0.8
94.79265	0.5
95.04995	1.6
98.97581	1.7
104.05001	0.6
105.03393	34.6
106.03690	0.7
107.04964	5.4
107.08601	0.7
113.33061	0.5
116.98619	1.3
119.04939	27.1
120.05244	0.9
120.08125	3.6
121.06516	1.7
125.05935	0.7
134.05992	2.6
135.04417	99.6
136.04771	2.9
150.09140	31.2
151.09540	1.0
162.09137	7.9
180.03760	7.7
180.10191	100.0
181.03712	0.7
181.10524	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	180.1019
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03957	2.3
55.01884	0.8
55.05520	1.6
56.96573	1.3
57.03446	0.7
65.03928	3.0
67.05513	1.0
69.03425	2.0
70.57523	1.6
72.04517	30.2
79.05492	7.7
81.03387	0.6
81.07042	1.1
85.02908	4.9
89.03915	15.3
91.05480	65.6
92.05836	1.9
93.03425	1.4
93.07028	3.5
95.04973	2.5
97.02898	2.4
98.97577	9.3
98.98187	0.8
103.05485	3.2
104.05006	1.0
105.03391	32.0
105.07066	1.1
106.03719	1.6
106.06567	1.6
107.04955	6.9
107.08609	1.7
109.06532	0.8
111.04448	2.2
116.98615	5.8
117.03449	0.8
119.04939	28.1
120.05283	1.3
120.08105	24.7
121.06502	4.7
121.10115	1.7
122.06053	0.7
123.04385	0.7
123.08073	0.7
125.06004	1.3
134.06024	4.6
134.09634	1.4
134.99667	2.3
135.04419	100.0
135.11731	0.8
136.04782	2.9
136.07602	1.4
137.05988	2.0
139.03909	2.8
145.02843	2.0
145.04962	0.9
148.04774	0.7
149.05980	0.9
150.09142	32.7
150.88637	0.6
151.09445	1.3
152.07031	1.0
152.08084	0.8
162.05487	6.0
162.09126	7.3
163.03885	6.7
163.11188	0.9
165.01836	0.6
166.06207	0.7
180.03740	20.2
180.06764	4.0
180.10185	95.0
181.04962	2.0
181.08749	1.2
181.10483	4.5
181.12082	1.2
181.39548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
51.02412	0.5
53.00344	0.5
53.03945	3.7
53.50140	0.4
53.76532	0.4
54.33689	0.3
55.01870	2.1
56.20885	0.4
56.96565	2.6
63.02419	0.7
64.27975	0.4
64.95859	0.3
65.03943	4.6
66.04314	0.4
67.05505	2.0
68.37823	0.4
69.03459	0.7
69.07104	0.7
69.67535	1.7
71.05040	1.1
71.95311	0.6
76.02348	0.5
77.03934	0.5
79.05498	6.0
81.03467	1.6
81.07087	0.8
82.04221	0.9
85.02914	2.1
89.03916	21.8
90.04276	0.5
91.05484	30.7
92.05805	0.6
92.06312	1.1
93.03438	1.2
93.07045	17.4
95.04967	8.4
95.08641	0.9
97.02943	0.6
97.06581	1.1
98.97587	18.4
99.97944	0.3
103.05477	14.4
105.03437	0.7
105.04520	2.2
105.07083	0.7
106.04221	1.2
107.04960	9.1
107.08624	0.9
108.02134	0.6
108.08158	0.5
109.06503	0.6
110.03689	1.7
111.04455	3.9
116.98624	15.3
117.03381	21.7
118.03735	0.9
118.06535	0.4
119.04951	5.3
120.05719	3.2
121.02911	0.8
121.06509	25.5
121.10175	0.7
122.06068	0.7
122.06850	0.7
123.04433	3.0
124.05262	0.6
125.06005	2.2
131.04939	1.2
131.06010	0.8
133.02826	2.5
133.07700	0.4
134.03612	0.5
134.99666	10.1
135.00618	0.7
135.04422	46.9
135.08054	1.5
135.09079	0.7
136.04855	1.5
136.07524	1.9
137.05980	6.2
138.03192	0.6
138.06773	2.1
139.03889	2.2
139.07573	1.0
139.08600	0.4
142.02646	1.2
145.02852	25.7
145.03825	1.0
145.10187	0.5
146.03185	1.0
147.04419	2.0
148.05194	3.0
149.00636	0.5
149.05980	8.7
151.03918	3.9
151.07523	0.5
153.00697	1.4
153.05508	1.0
153.06978	0.5
153.09120	1.2
154.08656	1.5
158.01186	0.7
163.03906	100.0
163.11201	0.9
164.04233	4.7
164.07056	0.9
165.06978	0.7
166.06277	12.5
166.07709	0.4
167.06754	0.6
171.06570	0.7
181.03322	0.8
181.05032	9.3
181.06679	1.5
181.08578	38.3
181.09903	2.1
181.12126	1.2
182.08147	1.5
182.09209	0.5
198.19917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02376	0.7
52.83571	0.6
53.00313	0.7
53.03950	7.3
55.01876	4.3
55.05500	2.0
55.78653	0.5
56.96569	3.7
57.03438	1.4
57.07053	0.6
63.02383	0.8
65.03943	9.5
67.05507	13.7
69.03430	2.6
69.07059	1.8
69.30364	0.5
69.30665	4.4
71.04996	1.8
71.95245	1.1
77.03928	1.9
78.04713	1.3
78.93589	0.5
79.05492	12.1
80.05816	0.8
81.03415	2.2
81.07043	4.6
82.04204	1.7
83.04974	2.1
83.08616	0.7
85.02910	3.6
85.06538	1.0
89.03400	1.2
89.03922	19.6
91.05483	62.8
92.05800	1.7
92.06270	2.5
93.03399	2.8
93.07044	43.8
94.04156	0.7
94.07411	0.8
95.04971	42.3
95.08613	3.9
96.05342	0.8
97.02880	2.0
97.06533	3.5
98.96923	0.8
98.97585	24.4
103.05473	30.5
104.05766	0.7
105.03408	1.8
105.04515	5.0
105.07045	3.4
106.04173	1.2
107.04958	10.9
107.08586	6.2
108.02110	1.3
108.05753	0.7
108.08118	0.9
108.08807	0.7
109.06519	2.9
109.10172	1.3
110.03643	3.1
110.06058	0.8
111.04441	7.0
111.08096	1.8
115.95615	0.7
116.98627	19.1
117.03379	21.9
117.06997	1.5
118.03696	0.8
119.04948	9.7
119.08578	1.6
120.05751	7.5
121.02885	0.9
121.06510	53.8
121.10126	8.0
122.06034	1.3
122.06866	2.0
123.04415	7.6
123.08059	2.0
124.05161	0.7
125.05988	5.3
125.09615	1.1
131.04929	3.3
131.06038	1.5
133.02872	7.0
134.03651	0.8
134.99660	10.3
135.04416	47.1
135.08054	4.9
135.11717	3.9
136.04846	2.1
136.07593	3.4
137.05988	10.4
137.09651	1.8
138.03085	1.5
138.06790	4.2
139.03885	3.6
139.07523	2.7
139.11209	0.9
142.02618	1.5
145.02852	24.9
145.10104	2.6
146.03146	1.2
147.04408	6.2
148.05206	6.9
149.05986	17.2
150.06801	0.9
151.03908	8.6
151.07573	1.7
153.00722	1.9
153.05455	1.9
153.06960	1.5
153.09106	1.4
154.08630	1.4
158.01259	1.0
163.03906	100.0
163.07568	2.5
163.11166	8.9
164.01634	1.6
164.04260	5.0
164.07074	2.4
165.06976	1.8
166.06274	28.1
166.07755	1.9
167.06601	0.9
171.06494	2.0
181.05069	14.7
181.06657	3.0
181.08594	83.7
181.09943	3.7
181.11935	4.6
182.00952	0.7
182.05247	1.2
182.07973	0.8
182.09207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	80638-48-8
Peak:m/z	Relative Intensity
51.02374	1.0
52.86362	0.4
53.03949	4.3
55.01872	9.3
55.05491	0.6
56.96563	1.4
57.03435	0.6
62.89274	0.5
64.17223	0.5
64.78394	0.4
65.03944	7.4
66.04718	0.5
67.05491	2.0
69.03418	0.8
69.11718	1.0
69.12123	2.2
71.95239	0.6
77.03934	1.3
78.04701	0.4
79.05055	0.7
79.05493	7.2
81.03400	1.4
81.07055	2.9
82.04211	1.2
84.69720	0.4
85.02898	2.0
89.03939	1.1
91.05483	42.2
92.05783	1.0
92.06296	0.9
93.03403	2.4
93.03967	0.4
93.07048	17.2
94.04192	5.0
95.04969	7.4
97.06546	1.4
98.97585	16.8
102.87641	0.4
103.05469	26.5
104.05804	0.9
105.03411	0.7
105.04500	1.4
105.07031	4.3
107.01299	0.4
107.04958	4.1
107.08605	1.0
108.02129	0.8
108.57333	0.4
109.06530	5.0
110.03667	6.9
111.04455	2.9
115.05457	0.5
116.97791	0.8
116.98622	11.2
117.03394	0.8
119.04947	22.8
120.05788	0.8
121.02863	1.0
121.06511	24.0
121.10145	1.3
122.03651	11.2
123.00813	0.5
123.04452	10.6
123.08099	0.5
124.05191	1.6
125.06036	1.1
131.03970	0.9
131.04916	8.6
131.12787	0.4
134.99664	5.7
135.04419	1.9
135.08069	6.1
136.05205	4.0
136.07587	1.4
137.05978	100.0
138.06837	4.5
140.00237	0.5
142.02625	1.2
145.02835	0.9
148.05161	0.7
149.05989	2.0
150.06749	0.8
151.07555	11.4
153.00691	0.8
153.05453	0.6
153.06963	0.4
163.03883	3.2
163.07494	2.7
164.07120	0.8
165.07021	2.0
166.06264	3.0
166.07787	2.4
171.06566	1.0
181.05014	7.7
181.06569	1.2
181.08600	5.1
181.10132	4.6
181.11685	0.6
182.08124	1.4
199.23073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.19381	0.8
57.03437	1.0
57.07079	16.1
59.04992	2.3
59.44309	1.2
69.07069	2.1
79.05499	6.7
81.03419	4.8
81.07053	3.8
83.04484	1.8
83.04984	37.1
84.40530	0.9
85.06554	1.7
91.05476	2.1
93.07053	6.5
95.04964	12.0
95.08606	1.3
97.06540	18.2
98.97586	3.3
105.07037	4.5
107.04939	2.4
107.08605	9.8
116.98636	4.6
119.08550	3.0
121.06531	2.3
121.10139	14.3
123.08056	1.0
125.05993	59.6
126.06279	1.2
130.07750	1.8
134.99677	3.0
135.11717	6.1
145.10130	10.4
163.11189	100.0
164.11523	6.0
181.06067	1.8
181.12236	32.7
182.12581	1.5
195.12581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.87352	0.5
53.03978	0.8
54.67849	0.6
55.01886	1.4
55.05520	1.9
56.96582	0.8
57.03445	0.6
57.07080	19.0
57.07349	1.2
58.07426	0.7
59.05011	2.3
65.03959	0.7
67.05511	1.3
69.03429	1.6
69.05325	5.8
69.05605	0.5
69.07068	3.1
69.51345	0.5
77.76645	0.6
79.05489	7.3
81.03422	5.3
81.07055	3.9
82.01698	0.7
83.04987	40.9
85.06573	0.8
87.04440	0.6
87.67094	0.6
91.05458	3.3
93.07053	7.5
95.04974	11.7
95.08626	1.1
97.06532	19.8
97.07133	1.1
98.97597	4.4
99.47769	0.6
105.07043	5.2
107.04971	2.1
107.08595	10.6
116.98624	4.8
117.07026	2.4
119.08598	3.5
121.06521	3.0
121.10144	13.8
123.08092	0.9
125.05997	57.3
126.06352	1.5
129.52271	0.7
130.07808	2.7
134.99651	3.1
135.08057	1.0
135.11702	6.3
137.09700	0.8
145.10135	11.2
154.87721	0.6
163.11189	100.0
164.11539	5.1
181.06122	1.3
181.12239	32.5
182.12619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03968	1.1
55.01878	1.1
55.05285	0.6
55.05504	2.9
55.23314	0.4
56.96600	0.7
57.03456	0.6
57.07075	17.6
57.88911	0.6
59.04494	0.5
59.05027	2.3
67.05533	1.8
69.03445	1.3
69.07072	3.5
71.05016	0.8
79.05492	7.0
81.03419	5.2
81.07064	3.9
83.04984	42.1
83.08637	0.6
84.05317	1.1
91.05488	3.3
93.07046	7.9
95.04971	14.2
95.08615	0.9
97.06536	22.6
98.97629	2.1
99.05567	0.6
105.07025	5.7
107.04990	2.0
107.08592	11.3
107.09264	0.7
109.06559	0.7
109.10175	0.5
116.98647	1.7
117.07044	2.7
119.08601	4.0
121.06522	3.0
121.10150	14.3
123.08142	0.8
125.05994	58.2
126.06366	2.4
130.07819	1.9
133.06569	0.6
134.99675	2.0
135.08110	0.6
135.11697	5.6
145.10129	10.7
146.10445	0.6
148.08847	0.7
157.25674	0.5
163.11186	100.0
164.11511	5.0
181.12234	31.6
181.15842	0.9
182.12593	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
64.05757	1.9
65.48840	1.9
67.05514	12.2
69.07078	24.3
70.96819	2.2
71.01361	100.0
71.11849	4.6
73.26707	2.0
79.05495	3.2
81.07053	5.4
83.04993	4.7
91.05510	3.0
93.07042	3.9
93.37952	1.9
95.04976	11.3
95.08619	3.6
97.06551	4.6
98.97581	7.3
99.05611	2.3
105.07042	4.5
107.08606	9.4
109.10162	45.2
111.08086	2.3
111.11730	26.9
116.98624	5.1
121.10155	9.8
125.05964	4.8
134.99661	5.2
135.11711	5.8
137.09642	9.8
145.10146	4.9
163.11156	8.0
181.12282	12.8
181.98141	2.1
182.12595	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1225
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.02367	1.6
53.03944	4.1
55.01865	2.7
55.05509	15.3
56.96564	2.1
57.07072	6.6
57.77868	1.0
65.03937	3.5
66.79766	1.1
66.97089	1.1
67.05507	13.4
69.03408	2.3
69.07072	4.5
69.50172	5.8
71.04987	1.9
71.98878	1.1
77.03941	1.2
78.04755	1.2
79.05495	10.0
81.07059	9.3
83.04992	7.5
83.08615	1.5
85.06544	2.5
91.05482	18.0
93.03377	2.1
93.06460	2.0
93.07050	33.1
95.04970	7.4
95.08610	21.7
97.06538	20.7
98.22616	1.7
98.97593	31.1
103.05471	4.0
105.04505	2.3
105.07049	7.8
106.04178	3.6
107.04977	1.7
107.08597	29.0
109.06516	4.8
109.10174	3.2
110.07285	1.2
111.04450	23.1
111.08086	12.4
112.04792	1.4
113.06001	2.1
115.05496	1.2
116.98621	18.1
117.07058	1.2
119.08580	3.2
121.06519	17.7
121.10140	4.4
122.07271	1.3
123.04407	1.8
123.08073	2.3
125.05997	85.6
125.09672	1.5
126.06364	1.7
130.07785	2.5
134.03641	1.6
134.99638	5.7
135.08060	11.6
135.11702	30.6
137.05975	1.5
137.13283	1.5
138.06743	12.4
139.03860	1.2
139.07535	4.5
145.10130	16.6
149.05965	8.4
153.09138	1.8
153.12746	8.4
163.11192	16.0
165.06963	1.3
166.07767	2.5
181.04967	2.3
181.08670	3.5
181.12236	100.0
182.12560	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	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02383	0.2
53.03952	2.2
65.03939	0.6
67.05502	0.9
69.64831	1.3
70.73396	0.2
71.05000	0.3
77.03944	0.8
79.05494	0.8
80.05017	0.3
81.03423	0.3
81.07055	1.0
91.05486	4.1
92.05814	0.8
93.05797	0.7
93.07043	3.6
94.06544	0.5
94.07375	0.5
95.04971	2.8
95.08620	0.7
97.06526	0.3
99.04453	0.3
102.39312	0.2
104.05799	0.4
105.04518	0.7
108.04478	0.8
108.08138	2.8
109.10128	0.4
113.59167	0.3
122.06020	1.4
122.06855	0.7
123.04435	0.8
123.08041	0.3
126.05529	1.7
126.06314	0.4
136.07578	100.0
137.07913	2.8
139.63733	0.3
140.07054	2.4
141.06967	0.3
150.06322	0.6
153.06970	0.3
155.08574	0.7
164.07069	50.8
165.07396	1.6
165.08769	0.4
167.08356	0.4
168.09308	0.3
181.06517	0.6
182.08150	0.5
182.10489	0.4
182.11894	0.2
182.15398	0.3
183.07964	0.4
183.11691	0.8
183.13899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03946	2.0
55.01876	0.5
57.07071	0.3
65.03950	0.7
67.05494	1.4
69.30127	2.2
71.05002	0.7
77.03941	0.8
79.05507	1.1
81.03442	0.4
81.07091	1.3
82.07363	0.4
83.05002	0.4
91.05476	4.5
92.05820	1.1
93.05799	0.8
93.07040	4.7
94.06548	0.4
94.07387	0.9
95.04967	3.3
95.08603	1.3
97.06537	0.3
98.23380	0.5
98.97543	0.4
98.98457	0.7
99.04475	0.4
104.05793	0.6
105.04504	0.7
107.08612	0.7
108.04465	0.4
108.08134	2.9
109.06556	0.5
109.10157	0.3
116.98622	0.4
122.06024	1.4
122.06868	1.2
122.10447	0.6
123.04440	1.7
123.11666	0.4
126.05515	1.9
127.07533	0.5
136.07579	100.0
137.07909	2.8
140.04692	0.6
140.07056	2.8
141.06969	0.3
147.09070	0.4
150.06320	0.8
153.06938	0.7
155.07014	0.4
155.08430	0.5
164.07068	51.7
164.11528	1.2
165.07367	1.8
166.07387	0.5
167.08304	0.3
181.06477	1.4
182.07143	1.0
182.08278	0.4
182.10516	0.7
183.07858	0.4
183.11725	1.0
183.13454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
51.24302	0.3
53.03939	0.8
54.55627	0.4
55.01875	0.7
56.05032	0.5
56.96566	0.8
58.02976	0.5
58.06622	0.5
60.04528	0.6
61.87463	0.3
62.91164	0.4
64.98290	0.4
65.03945	8.7
66.04751	0.4
67.05508	94.0
68.05037	0.7
68.05825	2.0
69.03447	1.1
69.07073	8.5
70.06590	0.9
70.12743	0.4
71.05008	0.7
71.31487	0.5
79.05506	1.1
80.05025	1.0
81.03438	1.9
81.07052	1.3
82.06571	0.6
83.04963	0.4
85.02892	0.6
86.02423	2.1
86.06075	1.6
86.77380	0.4
90.04290	0.5
91.04978	0.4
91.05474	2.2
92.05826	1.0
93.07056	1.1
94.06568	1.5
94.07391	0.6
95.04974	100.0
96.04520	0.4
96.05305	2.1
97.02890	0.4
97.06532	0.6
98.06052	0.4
98.97575	1.0
98.98480	1.9
99.04467	0.8
99.97909	0.5
103.05466	0.5
104.05817	0.5
105.03399	0.6
107.04964	0.8
108.04483	1.1
108.08111	1.4
109.06509	1.0
110.06053	1.1
111.04440	0.5
112.07588	0.4
113.06023	1.8
116.98631	1.3
118.03716	0.7
118.06525	0.7
119.01906	0.9
119.04898	0.8
120.08071	0.5
122.06029	1.6
122.06870	1.0
123.04425	3.8
123.08096	0.6
124.03964	0.6
124.07589	1.4
126.05522	0.5
126.09163	1.0
127.01530	0.5
134.06029	0.5
134.99658	1.0
136.04753	1.2
136.06509	0.5
136.07568	9.8
137.06000	1.2
138.05470	0.7
138.06422	0.5
140.04662	1.3
140.07030	0.7
146.03160	1.1
146.06039	0.7
150.06355	0.5
152.07059	1.2
153.06924	0.4
154.05008	0.5
154.08635	11.3
155.07022	0.7
155.08696	0.6
160.04512	1.0
164.04254	3.9
164.05457	0.4
164.05708	0.5
164.07056	5.1
164.10571	0.4
166.98567	0.5
167.00365	1.4
178.05656	0.4
181.06445	0.9
182.00948	1.1
182.02711	2.2
182.08136	20.2
182.19051	0.8
183.01184	0.4
183.06575	0.7
183.08284	0.8
183.11487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.22287	0.8
53.03949	5.2
54.24478	0.8
55.01873	2.0
55.05508	6.6
57.03447	1.2
58.02961	1.8
65.03937	7.1
65.96309	1.0
67.05506	30.4
68.05025	1.1
68.05861	0.9
68.06283	1.0
69.03438	2.1
69.07065	7.0
69.58791	2.8
69.59189	2.0
70.02959	1.3
70.06582	1.3
71.04996	1.3
79.05495	33.0
80.05023	3.1
80.05817	1.9
81.03426	1.3
81.07059	44.1
82.02952	1.8
82.06586	1.7
82.07391	1.2
83.08625	2.6
84.08138	1.2
84.08939	1.0
85.02916	1.7
86.02432	4.6
91.05480	12.0
92.05021	1.7
92.05826	1.8
93.05779	6.9
93.07047	5.2
94.06568	3.1
94.07394	3.1
95.04964	20.6
95.08615	4.3
96.04504	2.4
97.05290	1.9
97.06538	12.1
98.06063	3.6
98.09708	3.7
98.97602	1.8
98.98457	2.3
99.04452	1.8
105.04517	1.8
105.07044	2.0
106.06559	1.6
107.07357	4.4
107.08587	1.0
108.04486	2.8
108.08117	66.9
109.06522	9.4
109.08450	2.0
109.10163	2.6
110.06027	5.4
111.04465	1.4
116.98647	1.7
117.05763	1.3
118.06573	2.4
119.04996	1.0
119.08574	4.1
119.52509	0.9
120.08096	1.0
121.05259	3.9
121.10155	2.0
122.06045	3.7
122.10478	1.8
123.04449	6.0
123.08072	3.7
123.11756	0.9
124.05222	1.4
124.07610	2.3
125.05991	30.6
126.05519	31.7
126.09148	22.6
127.07491	4.2
134.06035	1.7
136.07576	100.0
137.06000	2.6
137.07979	2.5
137.09589	4.1
138.05508	2.8
140.04692	3.9
141.05438	2.1
141.07036	1.7
147.04433	2.2
147.08063	1.7
152.07082	2.0
153.05554	1.4
153.06900	2.3
153.07927	2.8
154.07471	2.0
154.08643	28.6
155.07083	2.8
155.08618	4.1
157.14095	0.8
164.07066	90.0
165.07373	3.5
165.09074	1.8
166.07407	1.4
167.08159	2.3
168.09497	1.2
181.06503	4.7
182.04797	2.7
182.05325	1.9
182.08174	81.8
182.15463	1.8
182.18967	1.1
183.08333	3.3
183.10118	1.3
183.11743	1.7
193.49525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.05520	7.5
57.03426	1.4
57.07072	2.7
58.02963	39.9
59.04996	1.1
67.05508	22.3
69.07069	60.2
69.78763	4.2
70.06583	2.8
74.06073	1.0
75.20641	0.9
75.48489	0.9
78.90651	1.1
79.05489	8.1
81.07057	21.0
82.26849	0.9
83.04990	2.6
83.08609	8.6
84.08149	9.5
86.06063	1.1
88.93397	1.2
91.05482	5.6
93.07050	12.3
95.04985	1.8
95.08617	6.5
97.06532	3.5
98.06048	3.0
98.09711	1.7
98.97591	2.5
100.07626	6.2
105.07038	13.3
107.08604	18.2
109.06506	2.8
109.10156	48.3
110.10489	1.5
112.07596	1.3
114.09158	13.1
116.98632	1.6
119.08573	1.3
121.10141	2.3
123.11701	6.3
126.09151	11.5
126.12763	2.5
133.10136	26.2
134.10439	1.3
135.11687	16.4
138.12784	24.4
147.11685	4.5
151.11177	11.0
153.12741	13.2
154.15857	1.8
160.14444	1.0
164.14320	2.8
165.12740	3.3
182.15411	100.0
183.15707	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	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01872	11.6
56.96572	5.0
57.03440	26.3
58.99868	3.5
60.08171	4.4
61.02925	20.3
68.02636	1.0
68.98293	1.2
69.03430	28.2
69.03804	1.4
70.03767	1.1
70.99851	3.3
71.01348	1.9
71.04998	2.2
71.07372	2.4
71.30037	0.8
72.08138	1.2
73.02918	52.3
74.03264	1.4
75.01951	0.8
77.00909	1.2
79.02190	0.9
80.02927	1.0
81.01893	1.8
81.03425	10.8
82.02700	1.1
82.99824	5.7
83.04979	1.0
84.04492	1.4
84.96011	1.1
85.02905	39.7
86.03249	1.3
86.03701	1.6
86.09703	20.0
86.99322	1.6
87.01888	3.4
87.04474	1.4
88.02680	5.2
89.00890	1.9
91.02156	1.2
91.03954	1.4
91.05479	1.4
92.05804	2.7
93.01891	7.8
94.02675	5.7
94.99841	1.6
95.01787	0.8
95.04958	5.7
96.02427	3.5
97.02891	32.3
98.03260	0.9
98.97589	5.6
98.98470	6.7
99.01951	1.4
99.04453	7.4
100.02641	6.6
101.00883	53.2
101.02391	1.9
102.00983	2.9
102.02406	12.6
102.52412	1.7
103.00629	1.8
103.02463	1.8
103.03206	1.4
103.03921	1.7
104.10747	19.1
105.00389	1.2
106.02673	2.8
107.03425	1.1
108.02409	5.9
108.52499	1.1
109.02840	8.2
110.02162	1.2
110.97609	1.5
111.02935	17.5
111.03650	1.5
111.04465	1.0
111.52954	1.3
112.02728	1.0
113.00871	14.1
113.01624	1.1
114.01028	1.2
114.02381	5.9
114.52493	1.3
115.02431	6.0
115.03194	2.4
115.03933	2.0
116.98627	2.8
117.02930	3.2
118.02788	1.1
118.03552	5.9
119.01919	100.0
120.02094	3.8
120.03348	1.5
120.05290	3.4
121.01659	2.2
121.03221	1.8
123.02931	9.8
123.04400	9.8
123.53028	1.3
124.02466	3.0
124.03809	1.1
124.04751	3.9
125.00008	16.7
125.00848	0.8
125.02325	6.8
126.02423	1.0
126.03439	1.6
127.02407	3.6
127.03920	9.8
128.02281	1.2
128.98590	2.1
129.02917	7.0
129.03972	2.4
129.52997	1.5
130.03690	2.0
131.01900	35.2
132.01967	5.2
132.03409	6.4
132.53551	0.9
133.01648	3.8
133.03473	4.5
135.02911	4.7
136.03658	2.0
136.04576	1.8
137.02963	19.9
137.06099	0.8
137.07909	10.0
138.03419	10.4
138.53534	3.3
139.02426	3.0
139.04231	1.2
140.04688	8.6
141.03941	1.3
142.03497	26.8
143.01904	44.4
144.01907	4.7
144.03432	3.9
145.01715	1.4
145.03462	15.5
145.04724	1.6
145.04935	1.4
146.03516	1.6
146.99677	1.9
147.01395	3.8
147.03990	2.6
147.05017	1.3
148.04730	1.8
149.02968	4.2
150.03094	2.0
153.03989	5.2
155.01900	33.9
155.03224	1.7
155.07016	23.4
156.02002	5.1
157.01645	2.3
157.03464	12.9
158.03635	1.6
159.01393	1.5
160.04558	33.2
160.05893	2.0
161.02960	48.5
162.03165	5.3
162.04442	0.9
163.02742	3.1
163.04550	2.9
166.05840	2.5
166.08594	1.0
167.01924	11.3
168.02040	1.1
169.03464	2.6
171.01389	1.1
171.05101	1.9
173.02965	49.4
174.03084	8.8
175.02774	2.6
175.04552	4.2
176.98317	1.0
177.02493	1.2
178.05594	9.5
179.01970	1.8
179.04022	5.6
183.05031	1.7
183.06525	9.4
183.11281	1.0
184.02075	1.1
184.04581	1.6
184.07487	18.2
185.02960	31.7
186.03186	5.5
187.02832	1.8
187.04552	3.5
191.04012	4.0
197.02991	5.3
199.04507	2.8
201.00804	1.0
201.02522	1.1
203.04010	16.0
204.04251	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	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.01603	0.5
51.02374	1.6
52.02401	0.3
53.03947	13.3
55.01871	3.9
55.05516	1.4
57.03431	0.6
65.03944	5.3
66.07690	0.3
67.05507	11.3
68.99744	0.3
69.03436	1.0
69.07064	1.1
71.04990	1.9
71.30157	0.4
72.96703	0.3
73.02879	0.4
74.00697	0.3
77.03938	2.4
78.32490	0.4
79.05479	2.0
80.02665	0.4
81.03413	2.5
81.07058	3.2
83.04978	1.1
84.74659	0.4
85.02917	0.4
85.06539	0.7
91.05473	2.3
93.03396	0.4
93.07045	3.9
93.16861	0.3
95.04970	100.0
95.08604	6.0
96.05296	2.3
97.02876	0.8
97.06522	1.2
98.03623	0.4
98.98439	2.4
99.04485	2.1
99.08063	0.5
105.03404	0.7
105.04514	7.7
105.07023	1.5
107.04977	0.5
107.08607	0.9
108.02097	1.4
109.02872	1.2
109.06522	1.7
109.08445	1.1
109.10191	1.8
110.03651	0.6
111.04449	1.1
111.08086	0.7
113.06087	0.5
119.01920	0.6
119.08580	2.7
121.03967	0.8
121.06503	0.6
121.10191	0.6
123.04431	78.6
123.08060	3.6
123.11680	0.5
124.04758	2.4
124.07611	2.2
125.02363	5.3
125.05960	0.7
125.09629	0.9
127.03950	0.4
127.07568	0.8
137.05975	1.1
137.07941	1.2
137.09587	2.3
138.09081	0.7
140.04681	30.5
141.04987	0.4
141.06984	0.6
142.03513	0.4
147.08089	0.8
151.03894	0.3
153.07014	0.8
155.07037	18.1
155.08456	1.6
156.07356	0.4
160.04588	0.9
165.07346	2.8
165.09103	2.1
165.12805	0.8
166.08722	0.7
168.09352	0.4
183.06526	5.1
183.08067	1.7
183.10091	1.0
183.11606	0.8
184.16924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.117
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
50.60798	0.7
51.02378	1.1
53.03951	4.8
55.05515	5.1
58.76223	0.8
59.15912	0.8
59.82094	0.8
62.90491	0.8
65.03951	3.9
67.05514	5.6
69.34973	5.4
75.22453	0.9
77.03936	1.4
79.05503	9.7
91.05486	62.4
92.05824	1.4
95.04983	3.6
98.22650	1.6
98.98477	1.0
101.95013	1.1
103.05465	3.6
104.06271	0.9
105.04536	1.5
105.07030	8.2
115.05466	18.5
117.07025	35.0
118.07270	1.5
127.05447	1.3
128.06235	14.9
129.07025	17.1
129.76724	0.8
130.07784	1.0
131.08598	1.1
134.12718	0.7
141.06998	39.7
142.07802	15.9
143.08589	6.2
145.06514	1.1
152.06223	3.8
153.07002	50.6
154.07794	15.2
155.08560	52.7
156.08949	2.8
165.07024	4.7
166.07779	4.3
167.08585	17.7
168.09358	29.3
169.09639	1.4
181.10124	3.0
183.11702	100.0
184.12029	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30267	0.3
59.05064	0.3
59.33928	0.3
69.94704	1.1
70.06592	0.4
82.01430	0.3
82.99844	2.2
90.57963	0.3
101.00887	27.5
102.00945	1.9
103.00626	0.4
106.53873	0.3
107.15313	0.2
110.06044	0.4
118.03573	0.4
119.01927	100.0
120.02011	6.7
121.01631	0.7
121.02387	0.6
121.07639	0.2
124.02446	1.7
124.07600	0.4
137.02962	30.2
138.03038	2.2
138.09140	0.7
142.03514	19.2
143.01898	0.4
143.03625	2.8
144.03267	0.9
148.07562	0.4
149.07144	0.3
160.04565	6.9
161.02980	6.9
161.04674	3.1
162.03110	0.6
162.04320	1.0
165.05127	0.5
166.08635	0.6
178.01109	0.3
178.05521	0.3
179.04041	8.5
179.05702	1.1
180.04120	0.4
184.09720	3.0
202.05658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86041	0.4
70.07909	0.4
71.18295	0.8
82.99846	4.2
100.02509	0.4
101.00881	42.7
102.00954	2.5
119.01922	100.0
120.01996	6.1
121.01652	1.1
124.02484	2.5
137.02960	21.9
138.03070	1.2
142.02396	1.0
142.03502	19.5
143.01921	0.4
143.03654	3.4
144.03261	0.5
160.04570	5.4
161.02979	7.1
161.04686	3.7
162.03012	0.6
162.04285	0.9
179.04045	8.4
179.05707	1.3
179.54784	0.4
184.04596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	4.8
57.03450	0.6
61.02919	0.7
63.08852	0.4
69.03423	1.0
70.06584	0.5
70.88811	0.6
70.89138	0.5
70.98106	0.4
71.95249	0.6
73.02911	0.8
81.03390	0.4
82.99828	2.1
84.08140	0.5
85.02903	0.8
86.03564	0.7
86.09701	1.3
97.02910	0.5
98.97581	5.7
100.02463	0.5
101.00883	29.5
102.00933	2.3
102.02277	0.5
102.96814	0.5
103.00607	0.6
104.10735	1.9
107.06146	0.4
110.06021	0.5
113.00877	0.6
115.00585	0.4
115.02392	0.6
116.98645	3.5
119.01922	100.0
120.02011	6.8
121.01638	0.6
121.07610	0.4
122.90041	0.5
124.02458	1.6
125.02587	0.4
128.98662	0.5
131.01869	0.8
133.01678	1.8
133.03409	0.4
134.99644	1.4
136.62621	0.5
137.02956	27.1
138.03087	1.5
142.03502	21.0
143.00146	0.5
143.01875	1.3
143.03603	2.7
144.02150	0.4
144.03223	1.0
145.03416	0.7
148.03986	0.5
156.03276	1.1
157.03470	0.9
160.04546	5.9
161.01591	0.8
161.02969	10.1
161.04697	3.2
161.06551	0.9
162.03119	0.8
162.04358	1.2
165.05083	0.7
167.08141	0.5
167.94109	0.5
172.42058	0.4
175.02643	0.4
179.02460	0.7
179.04037	10.5
179.05707	1.2
182.87120	0.4
184.02896	0.7
184.04630	1.4
184.06158	0.4
184.09712	0.9
185.02971	0.7
186.03127	0.6
202.03773	0.6
202.05609	0.7
203.04051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.75185	0.3
56.05027	1.2
58.06606	0.7
58.96028	0.4
60.08165	19.6
65.10667	0.4
65.12759	0.4
70.06561	0.5
70.65742	0.3
71.06980	0.6
71.07373	11.8
71.95259	0.7
73.48494	0.4
82.54029	0.3
85.04414	0.4
86.09706	100.0
87.10030	2.1
90.60454	0.3
90.66198	0.3
98.98466	18.9
101.32738	0.4
101.95031	9.6
102.96862	1.0
104.10738	4.6
107.06082	1.0
119.96065	5.1
120.02048	0.6
120.97920	0.6
121.07647	1.5
125.00002	80.8
126.00351	0.4
137.97089	3.9
138.98944	0.5
143.01064	1.0
149.07066	1.8
155.98186	0.8
160.98761	0.9
161.04631	0.5
166.08667	0.5
167.08162	0.9
169.17659	0.4
178.99780	0.5
184.07344	90.6
185.07680	1.4
185.09241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.05021	1.5
56.96541	0.6
57.03417	2.8
58.06594	1.9
60.08165	24.5
61.02924	1.4
69.03422	2.5
69.26223	4.5
70.06577	1.9
70.99837	0.7
71.07375	12.9
73.02927	4.6
78.61754	0.6
85.02898	3.6
85.47893	0.7
86.09708	100.0
87.10043	1.8
87.75726	0.6
95.06093	0.9
97.02907	2.9
98.98464	18.8
101.00865	5.0
102.00916	1.2
103.00630	1.2
104.10744	62.5
105.11095	0.8
107.06101	1.2
111.05583	0.7
112.71429	0.6
113.00850	0.7
119.01921	17.5
120.02080	2.2
120.08146	1.2
121.01678	1.6
121.07632	2.0
123.02930	0.7
123.52988	0.6
124.07605	0.7
125.00004	86.2
126.00332	0.8
127.03899	0.8
131.01935	2.6
132.02060	1.4
132.30800	0.7
133.01675	1.2
133.03342	0.9
137.02963	5.1
138.05481	0.7
138.09222	1.5
138.10286	1.3
142.03528	2.2
142.04939	0.7
143.01970	0.9
143.03712	0.7
144.01993	1.5
145.01665	1.3
145.03427	0.9
146.03587	1.0
147.03201	1.2
149.07146	2.1
155.01921	0.8
156.02121	1.6
156.08839	0.8
157.01703	0.9
157.03459	0.8
158.03656	1.0
161.02992	4.3
162.03136	1.8
163.02725	1.1
166.08687	1.6
167.08177	1.8
173.02979	1.0
174.03214	2.1
175.02802	2.2
179.04094	1.5
179.75221	0.7
184.07434	86.9
184.09836	2.5
185.02963	1.8
185.07782	1.5
185.09262	0.9
186.03177	1.2
187.02773	1.0
188.63695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0884
Annotation	Chlorphentermine
Peak:m/z	Relative Intensity
54.96410	0.3
55.01873	0.7
59.16641	0.4
66.99706	0.3
69.97066	1.5
82.46994	0.3
86.09712	0.6
91.05470	0.8
94.37644	0.3
101.95012	1.3
102.96819	0.4
107.06040	0.5
115.05450	3.6
116.06236	0.6
119.06049	0.5
120.97955	0.7
121.07624	1.1
124.99981	0.7
128.06216	2.8
129.06985	1.6
129.87831	0.3
130.07753	0.4
137.07094	0.5
137.97050	0.4
138.98964	0.5
141.06989	29.9
142.07843	2.9
149.07121	1.0
152.06178	0.8
153.07018	2.7
153.45639	0.4
154.07631	1.1
155.04895	1.5
155.08551	13.2
156.05753	0.6
156.09360	4.5
157.06569	0.8
157.10129	0.8
161.04736	0.4
165.07011	6.9
166.07751	2.2
167.08559	7.2
168.05731	1.1
169.06483	62.4
170.06839	3.1
183.08057	43.5
184.08824	100.0
185.09218	6.1
185.13373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30386	58.0
71.30820	80.0
73.33358	67.9
89.78128	71.1
95.25857	79.1
101.00887	87.3
131.01920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61697	50.3
69.46202	67.5
70.32690	100.0
70.33015	79.8
91.48366	50.2
123.53244	54.0
138.90193	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.9955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22466	0.7
52.52039	0.7
57.05828	0.8
69.51314	5.0
79.05969	0.8
104.99279	100.0
123.10477	0.7
138.06883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.0
55.01873	11.7
55.05510	29.5
56.05033	5.4
56.96564	3.6
57.03431	8.2
57.75717	2.6
58.06608	6.0
65.03954	6.5
67.05508	22.1
69.03436	31.6
69.07078	11.2
70.06591	10.0
71.01357	6.2
71.04996	62.1
71.31400	3.9
71.31847	2.9
72.08164	6.1
73.02928	4.0
74.06079	5.1
79.05499	29.2
81.03422	28.9
81.07059	59.9
83.04980	29.1
83.08625	6.6
84.04516	6.8
84.08139	13.4
85.02919	9.5
85.06554	4.2
86.06068	4.1
86.09731	3.3
87.04477	7.3
87.08105	22.5
88.02211	21.1
90.04259	3.0
91.05479	47.0
93.03409	14.0
93.07024	4.8
95.04958	9.9
95.08627	21.1
96.08164	2.7
97.02908	3.9
97.06557	5.9
99.04466	9.9
100.07641	3.2
101.07157	6.0
102.05547	3.4
103.03292	4.2
103.05455	6.3
104.04076	2.8
105.03389	3.2
105.07039	15.9
107.08594	35.5
109.02887	7.6
109.06503	5.3
109.07698	2.2
109.10181	2.5
112.01566	3.5
113.09627	4.6
115.05441	34.9
116.06257	13.6
116.07056	4.8
116.98576	4.1
117.06978	22.1
118.06535	16.2
119.08601	3.2
123.08092	17.8
125.06065	4.1
125.09632	100.0
127.03929	19.2
127.12311	4.6
128.06227	8.6
128.07092	8.1
129.05458	3.4
129.06992	20.2
130.06601	4.0
131.04941	11.4
131.08559	42.1
141.05505	3.6
141.06966	29.9
141.09099	20.9
142.06526	23.0
142.08664	8.7
142.12379	3.5
143.07355	4.2
143.08572	5.9
144.05693	17.6
144.08115	7.0
144.09338	7.2
145.06450	19.4
145.10126	11.4
146.03174	5.1
146.06020	26.5
146.91866	3.1
154.07759	3.8
155.03381	14.8
157.06505	5.5
158.07286	9.4
159.04448	6.8
159.06944	14.0
159.08095	43.2
159.10187	3.7
159.11667	6.1
160.07515	4.8
163.97729	5.1
169.06473	6.3
169.08630	66.0
169.10014	4.1
170.06024	63.7
170.11812	9.0
172.05177	6.3
172.08888	6.9
187.03955	7.6
187.06027	6.1
187.07504	50.5
187.09641	6.1
187.11150	45.7
187.12749	5.2
187.14563	13.9
188.03600	2.7
188.07045	47.7
188.08823	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	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93591	0.8
53.00304	1.2
53.03945	4.7
55.01869	2.9
55.05509	3.8
56.05023	2.6
56.96557	2.1
57.03428	2.6
58.06591	1.7
61.02931	0.8
65.03940	25.7
67.05504	11.3
69.03431	6.4
69.07070	5.7
69.79881	3.2
70.06590	2.5
71.04990	5.2
71.09817	0.7
73.02914	0.7
74.06080	2.0
77.03915	1.7
79.05497	13.4
80.05836	0.7
81.03408	7.0
81.07063	7.5
83.04964	3.1
83.08620	1.6
84.04494	1.8
84.08134	3.8
85.02911	2.2
85.06544	1.1
86.06058	1.2
86.09690	2.0
87.04471	1.3
88.02213	2.4
89.03909	1.4
91.05482	50.8
92.05830	1.2
93.03407	86.4
93.07055	7.6
94.03736	1.3
95.04436	1.1
95.04980	11.5
95.08590	2.2
97.02925	0.8
97.06510	1.5
97.10180	1.0
99.04455	1.2
100.07599	0.8
101.07149	3.4
103.05483	7.4
105.03406	2.0
105.04505	1.0
105.07033	22.9
107.04951	2.9
107.08600	1.9
109.02895	1.5
109.06526	2.8
109.10151	2.0
111.08079	1.3
113.05996	1.6
115.05456	19.0
116.06265	12.0
117.07028	21.2
118.06549	2.5
119.04935	1.7
119.08592	6.2
121.06511	4.4
121.10167	0.8
123.08105	1.7
123.11713	1.4
124.11272	1.0
125.05984	2.1
125.09674	1.1
127.03922	2.2
127.05399	0.9
127.12280	1.8
128.06239	14.0
128.07129	1.1
129.07010	31.6
130.07834	7.5
131.04936	5.6
131.08569	35.8
132.08942	1.2
133.06500	3.1
133.10184	1.2
141.06990	15.9
142.07745	3.1
142.08714	1.5
142.12283	2.6
143.08559	8.4
144.05699	8.8
144.08293	1.3
144.09366	9.6
145.06500	16.2
145.10133	15.0
146.03217	1.1
146.06017	3.3
146.07176	4.0
146.10497	1.4
147.08034	0.8
151.11206	0.9
153.07013	4.7
154.07785	9.6
155.06033	1.6
157.06487	6.3
157.10155	2.2
158.07280	20.6
158.99583	0.8
159.07011	1.8
159.08069	32.8
159.11694	17.7
160.08452	1.2
163.39433	0.7
169.07634	1.4
169.10118	9.6
170.06102	2.1
170.11789	2.2
171.08054	2.0
172.05209	2.3
172.08856	18.9
187.03888	1.2
187.07561	17.3
187.11186	100.0
187.14603	5.1
187.18851	1.1
188.07129	2.7
188.09319	1.1
188.11507	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
55.05507	0.5
55.90870	0.4
56.33717	0.4
57.07070	0.5
58.91807	0.4
63.11684	0.4
65.03931	0.4
67.05501	0.9
68.63557	0.4
69.03434	0.7
71.24667	0.4
79.05494	1.8
79.66581	0.3
81.03420	1.3
81.07063	3.0
88.02227	1.3
91.05483	12.8
92.05793	0.4
93.07063	1.5
95.08620	1.5
103.05484	1.3
105.07036	8.7
107.08588	1.3
115.05426	1.8
116.06244	5.5
117.07030	6.2
117.96147	0.4
119.08578	13.8
119.09420	0.7
120.08915	0.5
128.06212	1.7
128.07057	0.5
129.07005	4.8
130.07799	5.8
131.08571	41.0
132.08904	1.1
133.10144	1.6
141.06987	0.8
142.07724	0.6
143.08563	7.6
144.05722	1.0
144.09377	2.3
145.10124	100.0
146.05908	0.5
146.10472	4.0
153.73444	0.4
155.06064	0.5
157.10123	4.9
158.10913	5.0
159.06956	0.8
159.08086	1.9
159.11702	11.9
169.10039	0.4
170.10918	0.7
172.05367	0.5
172.08850	0.9
172.12469	6.2
173.12778	0.6
187.03957	0.6
187.07596	2.6
187.11356	3.1
187.14821	68.3
188.09279	0.5
188.10722	0.4
188.15141	3.3
188.20012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03935	0.9
55.05509	1.6
55.94809	0.4
57.07076	4.8
60.43842	0.5
65.03940	0.6
67.05505	8.2
69.03444	1.4
69.07072	3.4
69.28197	3.3
72.28447	0.4
77.03973	0.4
79.05492	6.4
81.03423	2.1
81.07052	4.9
81.32085	0.5
83.08617	1.8
84.09795	0.5
88.02218	4.3
91.05481	20.6
92.05803	0.7
92.70723	0.5
93.07037	5.0
95.08607	4.0
98.23396	1.0
98.44467	0.5
103.03342	0.6
103.05455	0.8
105.07033	18.4
106.07373	0.6
107.08599	4.0
115.05461	1.8
116.06232	1.6
117.07029	20.0
119.08585	15.7
119.09447	0.7
121.10159	2.8
123.06337	0.5
126.74931	0.5
128.06224	1.1
129.07024	4.8
130.07803	4.5
131.08571	56.4
132.08911	2.0
133.10132	4.8
143.08575	4.2
144.09346	2.1
145.10126	89.7
146.10474	3.8
157.10170	1.6
158.10898	1.6
159.06992	2.2
159.11690	13.4
160.11964	1.0
169.09961	0.6
172.12486	1.0
185.13226	1.5
187.07596	1.1
187.11389	2.8
187.14824	100.0
188.09297	0.6
188.15184	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
52.37820	0.7
53.03949	1.5
55.05510	2.6
56.08256	0.7
57.07084	4.3
67.05509	8.6
69.03427	2.0
69.07064	3.1
71.30479	0.8
79.05500	8.4
81.03426	2.5
81.07041	6.4
83.08606	3.1
88.02222	9.1
91.05488	21.4
93.07040	6.6
95.04995	1.4
95.08608	4.7
103.05511	1.0
104.04056	1.5
105.06372	1.5
105.07039	22.2
107.08604	3.6
109.07639	1.8
109.10172	1.1
115.05444	2.1
116.06232	1.8
117.07028	21.9
119.08589	17.3
121.10152	2.8
121.83424	0.7
128.06229	1.4
129.07021	6.7
130.07806	6.9
131.08574	54.5
132.08885	1.4
133.10175	4.9
141.06976	1.1
142.07788	2.5
143.08588	4.7
144.09360	5.8
145.10129	100.0
146.10464	4.5
153.07135	0.9
154.07819	1.6
157.10120	4.3
158.10905	2.9
159.06985	3.5
159.08130	1.3
159.11711	20.7
169.10115	2.2
172.08896	1.3
172.12440	2.1
185.13292	1.2
187.06334	1.2
187.11249	8.7
187.14830	94.2
187.22534	0.9
188.15123	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55202	0.3
56.55710	0.3
70.02201	1.0
71.04991	0.6
73.82425	0.3
89.98614	0.3
91.05474	4.5
97.13840	0.3
98.97575	0.3
99.33888	0.3
103.05458	0.8
115.05451	6.6
116.06256	0.3
116.16597	0.3
117.05798	1.7
117.07019	4.9
117.78519	0.3
118.06545	71.3
119.06902	1.9
128.04967	0.5
129.57013	0.3
132.08112	0.8
140.04947	0.3
142.06517	6.2
143.07309	12.0
144.04442	1.0
144.08090	24.1
145.06497	0.3
145.08441	1.0
146.06009	100.0
147.06352	3.6
155.06015	1.0
160.07591	0.9
170.06013	9.6
171.06441	0.4
188.07066	18.5
189.07329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.30835	0.7
89.03955	0.3
91.05473	4.6
92.05851	0.3
103.05456	0.5
115.05452	6.7
117.05769	2.0
117.07028	4.5
118.06542	73.2
119.06874	2.4
127.05458	0.3
132.08121	0.7
142.06534	6.2
143.07309	14.5
144.04462	1.0
144.08092	25.0
145.06514	0.9
145.08455	0.8
146.06007	100.0
147.06343	3.7
155.06038	1.1
160.07558	1.3
163.32484	0.3
170.06013	9.2
188.07065	18.6
189.07356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89038	0.2
55.01873	0.8
57.07085	2.0
67.05497	0.3
69.02680	1.6
69.03086	0.6
72.04535	0.5
81.07061	0.9
84.04491	0.4
85.02879	0.3
86.06081	0.9
86.09707	100.0
87.04481	0.3
87.10022	2.1
91.05463	1.3
95.08592	0.4
103.05472	0.4
105.07026	1.5
107.08592	0.5
109.10126	0.3
115.05447	0.7
116.10718	0.8
117.07070	0.3
119.08622	1.2
128.06252	2.8
128.07086	0.7
128.10716	35.3
129.07013	7.3
129.11063	0.9
131.04953	0.9
131.08575	1.4
132.08965	0.3
133.06483	0.4
133.10127	1.8
142.12286	0.4
143.08528	0.9
145.06541	1.6
145.09982	0.3
145.91689	0.2
146.03693	0.3
146.06114	0.6
146.07254	1.1
146.11754	18.1
147.08047	0.3
147.11917	0.7
155.05962	0.5
157.06497	3.6
158.07317	1.7
159.04379	0.5
159.08046	0.3
160.08417	0.7
161.06001	0.6
161.09566	1.5
161.13264	0.3
170.06113	0.3
170.11766	15.1
171.07980	0.3
171.12082	0.6
173.05952	0.8
174.06761	11.0
174.10301	0.3
188.08044	1.5
188.12828	0.9
188.15198	0.4
189.09111	15.5
189.12691	1.8
189.16284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
55.05516	30.4
56.57647	1.9
57.03436	7.0
59.04987	2.9
60.85666	2.0
61.02926	10.1
61.92726	2.1
67.05493	9.6
69.03427	10.8
69.07069	11.1
71.04995	28.6
79.05495	7.9
81.07065	18.4
83.04984	100.0
83.08598	2.3
85.02908	96.3
87.04469	3.4
91.05476	22.2
93.07023	10.0
95.04967	2.9
95.08609	26.4
99.04430	2.4
101.06037	3.5
105.03383	7.5
105.07030	52.0
106.07333	2.7
107.08597	17.6
109.10162	6.1
111.04440	68.2
112.04786	2.5
115.05450	2.9
117.05499	2.4
117.06995	6.2
119.04985	4.1
119.08582	77.9
119.09450	3.8
121.06544	5.0
121.10162	5.6
128.06245	6.4
129.05493	16.7
129.06973	11.0
131.08582	10.0
133.06506	9.2
133.10127	40.1
143.08585	12.8
145.10120	12.7
147.08060	15.5
147.11700	31.3
156.09338	5.9
157.06439	3.0
159.11652	2.9
160.08824	2.0
161.05981	2.9
161.09610	6.5
161.13260	14.9
171.06525	13.7
171.07922	3.9
171.11711	8.5
174.06827	4.0
174.10416	5.0
189.05499	4.3
189.07414	3.7
189.09122	13.7
189.12755	52.5
189.16414	51.4
190.06259	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67701	0.9
53.03938	1.5
54.33854	0.9
55.05515	13.9
56.29096	0.9
56.62280	0.9
57.03443	3.8
57.09935	1.0
61.02927	3.6
65.03945	1.1
67.05505	1.5
69.03413	1.8
69.07059	1.8
71.05004	7.4
71.31497	1.3
81.07050	2.5
83.04986	61.0
83.92759	1.1
84.05318	1.9
84.79704	1.0
85.02908	100.0
86.03249	2.1
91.05478	4.0
93.07025	1.6
95.08613	2.2
101.06017	2.5
105.07029	8.0
107.08630	1.3
111.04444	29.8
115.58915	0.9
117.07063	1.3
119.08575	13.5
121.27374	0.9
127.03911	3.7
128.06223	1.9
129.05482	6.1
129.07010	2.4
132.05748	1.2
133.06464	2.1
133.10155	5.6
143.08531	1.4
145.10150	2.1
147.04431	1.8
147.08078	7.8
147.11707	4.6
159.07999	1.2
161.09706	1.5
161.13298	2.3
171.06557	18.7
173.19250	1.0
174.06808	2.0
174.10416	1.7
189.05489	1.3
189.07559	1.3
189.09106	3.4
189.12755	16.1
189.16348	8.0
190.06294	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	189.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86646	1.4
55.05511	16.2
57.03436	2.6
61.02909	3.2
67.05507	2.1
69.03441	2.3
69.07060	1.6
70.35531	1.3
70.35865	3.2
71.01375	1.5
71.05007	6.5
79.45872	1.2
83.04983	55.0
85.02905	100.0
87.04448	1.5
91.05462	3.9
95.08592	3.0
101.06003	5.7
105.07044	9.5
107.08599	1.4
111.04440	31.3
119.08592	14.9
121.06509	1.5
127.03958	2.0
129.05450	7.8
129.06984	2.6
131.08510	1.3
133.06467	3.1
133.10152	7.3
135.81625	1.2
145.06444	1.6
147.08054	9.0
147.11687	5.3
161.09644	1.7
161.13245	2.5
171.06551	16.0
171.11743	1.8
174.06747	2.5
189.09116	4.3
189.12747	18.8
189.16414	6.8
190.06334	1.6
192.03963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49364	1.4
55.05514	18.6
57.03450	7.0
61.02924	7.8
61.56057	1.4
67.05521	2.0
69.03429	8.3
71.01356	2.0
71.04994	5.1
75.77610	1.4
79.05486	2.3
81.07064	1.5
83.04984	58.5
85.02909	100.0
86.03234	2.3
87.45084	1.2
91.05488	3.8
93.07021	2.4
95.08053	1.5
95.08622	3.4
99.04476	2.9
101.06023	3.6
102.65430	1.8
105.07013	7.1
111.04447	78.2
111.64745	1.6
112.04816	2.3
118.39514	1.3
119.08585	11.8
126.93157	1.4
127.03955	3.4
129.04712	1.3
129.05472	7.6
129.06995	2.7
131.08575	2.5
133.10104	6.7
147.08058	2.5
147.11725	4.4
150.52242	1.3
152.80400	1.3
171.06532	18.2
174.06708	1.8
189.09129	3.3
189.12688	7.8
189.16431	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	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01870	0.8
55.05500	0.3
56.05031	0.4
56.96568	2.9
57.03436	0.7
57.04569	0.3
57.05817	0.4
60.05645	0.6
60.07885	0.3
60.08169	5.1
60.08474	0.3
61.02928	0.2
67.05506	0.7
68.99794	0.3
69.03430	0.6
69.07072	8.0
70.06595	6.2
70.98113	0.3
71.01358	0.3
71.04997	0.4
71.30586	0.3
72.08161	2.3
73.02920	0.4
74.07201	1.7
79.05492	0.3
81.03394	0.3
83.01376	0.2
84.04531	1.2
84.08150	16.8
85.02899	0.4
85.06551	0.7
85.08483	0.3
86.09709	100.0
87.04449	0.7
87.10043	2.3
91.05479	0.4
98.97588	9.6
99.04456	0.2
101.00906	0.5
101.02382	1.0
103.00620	0.2
103.02452	0.8
105.07015	0.5
107.08633	0.2
110.97577	0.4
115.03954	1.0
115.05441	0.4
115.08739	0.2
116.07092	2.1
116.98632	8.9
118.08647	0.3
119.01926	2.7
119.04945	0.3
119.08566	0.4
126.05585	0.2
128.06236	0.3
128.98630	0.4
129.01892	0.2
129.07030	0.2
129.16974	0.2
130.04994	0.6
130.08644	6.6
130.09575	0.3
133.06528	0.4
133.10081	0.4
134.99660	6.0
137.02942	1.0
141.61694	0.2
143.03329	0.2
143.11824	0.2
144.10239	0.3
144.11327	0.7
144.13834	0.5
145.03517	0.2
145.06483	0.3
146.99686	0.4
147.01408	0.3
148.03973	0.2
153.00719	0.8
157.01355	0.8
158.06001	0.3
161.05986	0.8
163.04668	0.2
172.09680	0.7
172.10948	0.3
174.06752	0.5
177.00690	0.5
177.04413	0.3
179.04008	0.3
185.02969	0.5
189.04060	0.7
189.06686	1.1
189.09030	0.5
189.10591	0.3
189.12392	0.9
189.13670	1.0
189.15965	2.6
190.05013	0.4
190.08704	0.7
190.14397	0.3
207.05411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
52.57711	0.2
55.01842	0.3
56.96559	1.1
60.08162	1.1
67.05511	0.5
69.03434	0.4
69.07059	1.1
70.06602	2.4
70.45214	0.6
70.45558	0.3
70.98121	0.3
72.08161	2.2
74.07197	0.6
74.34877	0.3
81.86250	0.3
84.08147	6.3
86.09709	100.0
87.09558	0.3
87.10037	2.1
91.05506	0.3
92.70523	0.3
98.97589	4.7
101.02322	0.4
116.07085	0.6
116.98634	3.0
119.01926	1.0
128.98723	0.3
130.08638	2.4
134.99663	1.1
157.01357	0.3
161.05980	0.6
189.09000	0.3
189.10606	0.4
189.12404	0.7
189.13857	0.3
189.16042	1.1
190.08618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01871	4.9
55.05512	9.8
55.47471	1.0
57.03435	1.4
57.07079	1.2
65.03937	1.2
65.54131	0.8
67.05506	9.6
69.03432	31.2
69.07062	2.8
69.94473	0.8
71.04995	7.1
71.19906	0.9
71.20255	0.9
77.03923	1.1
79.05495	14.8
81.03416	1.6
81.07056	13.3
83.04984	12.5
85.44716	0.8
90.14487	0.9
91.05481	32.1
93.07043	11.8
95.04967	6.6
95.08601	5.8
97.06526	3.1
103.05487	4.5
105.03385	1.7
105.07030	47.5
106.07365	2.6
107.04956	7.3
107.08586	5.6
109.06516	2.0
115.05441	7.2
116.06255	1.2
117.07011	11.0
119.04927	3.2
119.08582	35.2
121.06505	8.1
121.10187	1.6
125.41524	0.8
128.06226	27.0
129.07028	16.8
130.07846	4.7
131.04936	1.4
131.08572	9.6
132.05722	1.7
133.06490	11.2
133.10132	18.9
134.07230	1.3
135.08025	2.2
141.06990	6.1
142.07817	5.4
143.08566	26.4
144.08887	1.3
145.06517	5.1
145.10139	13.4
146.07236	3.2
147.04427	2.2
147.08046	27.4
147.11697	9.8
148.08769	0.8
155.06018	2.5
155.08615	1.7
156.09369	7.8
159.08028	2.2
159.11684	1.4
160.05234	1.5
160.08853	3.5
161.05984	2.3
161.09627	14.5
161.13264	7.5
171.08058	2.5
171.11684	17.9
172.12032	1.4
174.06776	3.0
174.10429	2.0
175.03958	1.1
189.09143	15.1
189.12744	100.0
189.16327	9.3
190.06294	2.2
190.13080	4.3
195.78656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27922	1.4
63.35186	1.7
69.03425	6.0
69.40863	1.4
74.67300	1.5
76.74394	1.6
81.07056	3.4
91.05486	10.4
93.07037	5.2
95.04938	1.9
105.07034	14.3
107.08608	2.8
115.05417	1.9
117.07052	3.9
119.08588	29.1
121.06516	2.9
121.10262	2.1
128.06227	4.9
129.06998	6.2
130.07790	2.3
131.08537	9.4
133.10150	10.7
141.06989	6.4
142.07623	1.5
143.08557	7.7
145.10117	16.5
146.07285	1.9
146.10857	2.3
147.08081	19.7
147.11681	32.4
155.08571	2.6
156.09340	36.4
159.08064	7.6
159.10515	1.8
159.11636	8.6
160.08777	4.2
161.09613	7.0
161.13225	5.8
171.11694	45.2
172.11986	2.7
174.10396	15.1
189.09128	3.1
189.12749	100.0
189.16341	3.0
190.13060	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05505	4.4
65.03925	1.4
67.05506	2.5
67.08295	0.9
69.03420	8.2
69.07052	4.2
69.69350	0.9
79.05495	5.4
81.07073	5.1
83.04961	1.5
86.09684	3.3
91.05471	15.2
93.07036	4.3
95.04973	2.8
95.08603	4.6
98.97554	1.2
105.07036	31.2
106.42162	1.2
107.04940	1.6
107.08589	8.3
109.06491	1.3
115.05415	4.8
117.07008	9.1
119.04955	3.4
119.08578	41.7
121.06486	2.0
121.10159	3.6
128.06216	7.2
129.07005	13.0
130.07785	5.4
131.04871	1.5
131.08568	14.6
133.06480	5.1
133.10132	16.6
135.08023	3.2
141.06996	8.1
142.07724	2.1
143.08546	10.0
144.09239	1.2
145.06462	4.5
145.10126	19.7
146.07227	2.3
146.10805	3.0
147.04393	4.4
147.08038	14.1
147.11684	36.7
148.11917	1.2
153.06931	1.4
155.08539	3.1
156.09343	44.6
157.06499	2.1
157.09776	2.6
158.07330	1.1
159.08047	10.8
159.11714	9.0
160.08818	4.1
161.05965	3.7
161.09601	6.4
161.13242	10.5
171.11685	45.6
172.12038	2.6
174.06715	6.5
174.10397	13.6
189.05447	3.1
189.06972	4.5
189.09105	16.6
189.12740	100.0
189.16330	9.5
190.13071	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01868	1.4
55.05516	5.9
59.04999	1.2
65.03949	1.4
67.05506	4.3
69.03082	1.1
69.03432	15.8
69.07072	7.0
73.11856	0.5
78.83945	0.6
79.05491	7.4
81.07062	7.1
83.04985	4.0
85.02859	0.7
88.82150	0.7
91.05479	14.9
92.05783	1.1
93.07053	7.8
95.04958	2.5
95.08591	2.9
97.06532	1.4
103.05466	2.5
105.03371	1.1
105.07030	53.7
106.07326	1.6
107.04958	1.8
107.08585	6.5
109.06544	3.2
109.10145	1.2
115.05452	2.5
116.06241	0.8
117.07015	7.4
119.04955	12.1
119.08578	63.4
120.08836	1.5
121.06507	3.8
121.10115	3.1
121.49155	0.6
128.06232	9.5
128.57710	0.6
128.98878	0.6
129.07010	17.8
130.07808	1.2
131.04919	2.5
131.08565	11.5
132.05739	1.3
132.09302	0.8
133.06482	9.9
133.10132	24.6
134.10452	0.9
135.08063	8.9
141.07016	6.2
142.07764	2.5
143.08571	16.7
144.09143	0.6
145.06508	5.4
145.10120	11.4
146.07317	3.2
146.10872	2.1
147.04436	1.2
147.06308	0.8
147.08054	27.0
147.11684	37.4
148.08330	0.8
148.12004	2.1
155.06070	1.1
155.08530	1.6
156.09341	32.8
157.06485	4.8
157.09682	1.4
158.07253	2.2
159.08032	11.3
159.11670	5.0
160.08846	6.9
161.05965	1.4
161.09645	10.8
161.13246	26.1
162.13589	1.6
171.11690	36.5
172.12021	2.0
173.09596	1.0
174.06781	12.4
174.10394	17.6
175.07100	0.7
175.10670	0.9
187.11172	0.8
189.09128	19.0
189.12741	100.0
189.16306	8.5
190.06294	1.2
190.13051	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	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03940	2.4
55.05503	9.5
56.53611	1.4
56.81392	1.4
57.07080	3.0
59.05042	1.5
67.05510	17.9
69.07070	15.8
69.37878	9.9
79.05490	10.2
81.07063	22.1
83.08612	4.4
86.15492	1.4
91.04972	2.1
91.05488	32.2
93.07045	14.7
94.69878	1.5
95.04968	1.7
95.08608	77.1
96.08971	2.1
97.10111	1.6
103.05455	2.5
105.07031	60.8
107.08592	25.3
109.10157	10.3
117.07011	5.2
119.08585	85.8
120.08923	2.7
121.10126	12.2
123.11692	1.3
128.06201	2.0
129.07001	2.2
131.08560	9.4
133.06462	2.0
133.10130	76.7
134.10507	1.6
135.11794	1.4
143.08516	1.6
145.10139	9.6
146.10970	4.2
147.08041	6.4
147.11684	45.1
149.02335	2.4
149.88377	1.5
156.09375	2.3
159.08076	3.3
159.11699	5.1
160.12465	5.0
161.09669	2.4
161.13252	15.8
171.11728	4.2
174.10440	1.8
174.14076	4.0
181.98763	1.6
189.06650	3.6
189.08984	3.7
189.12697	14.9
189.16389	100.0
190.04950	1.7
190.16740	3.4
192.32333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
51.04533	0.2
55.01896	0.2
66.15082	0.2
67.05499	0.3
69.03423	0.4
69.07056	0.3
69.82842	0.8
75.70087	0.2
79.05470	0.4
81.07061	0.6
83.04955	0.3
85.76183	0.3
89.03922	1.2
91.05486	3.1
93.07005	0.5
95.04954	0.3
95.08629	0.3
102.04691	8.8
102.05373	0.4
103.05505	2.1
104.06274	0.5
105.03415	0.5
105.07040	0.8
106.07355	0.3
107.04916	0.4
107.08595	0.6
115.05473	2.7
116.06252	1.0
117.03387	4.7
117.07012	0.6
118.04163	1.0
119.04944	3.2
119.08574	0.3
121.10149	0.4
129.03381	1.2
129.04483	0.7
130.04161	5.7
131.04945	7.0
131.08565	0.4
132.05719	5.6
133.10146	1.3
135.04385	0.5
135.08083	0.3
143.04932	3.6
144.05655	0.6
145.02870	1.4
145.10106	0.5
146.03569	0.4
147.04413	55.0
147.11618	0.3
148.04706	1.7
157.02867	2.9
158.03648	1.6
159.04446	2.2
160.03864	0.5
160.05208	10.5
161.05861	1.0
163.07536	1.3
172.05185	0.3
173.13283	0.6
175.03912	28.6
176.04407	1.2
184.65215	0.3
190.06256	100.0
191.06659	4.9
191.10535	0.3
191.14340	1.3
209.05038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0864
Annotation	1-Methoxyindole 3-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.32820	0.5
53.03951	0.9
55.05513	0.7
56.96568	7.6
57.03434	0.8
58.06594	0.8
65.03952	0.7
66.75958	0.5
66.97244	0.5
67.04257	1.9
67.04863	0.5
67.05505	3.0
69.03434	1.3
69.07071	3.5
70.06580	1.3
71.30323	0.5
72.93796	1.0
73.02922	0.6
79.05487	0.8
81.03436	1.0
84.08146	0.8
85.02912	0.8
90.94825	1.0
91.05479	0.9
92.29021	0.6
93.07030	0.7
94.02936	1.2
95.04975	3.0
95.08595	3.1
97.02911	1.0
98.06060	0.6
98.97570	3.4
103.05470	11.9
105.07092	0.6
106.06542	0.5
107.04950	1.0
107.08593	0.8
109.10163	6.1
111.11695	1.0
112.99104	0.8
115.05486	0.7
116.98620	4.3
118.06545	2.6
119.01826	0.7
119.04881	0.6
119.07327	0.8
119.08575	1.2
120.08167	1.1
121.06548	0.7
123.04428	1.9
128.04919	0.6
128.98622	0.8
130.06535	65.5
130.96263	0.8
131.00169	1.5
131.04962	2.5
131.06908	1.8
131.97415	1.0
134.05989	0.8
134.99666	1.8
135.08104	0.5
136.11208	0.7
137.09616	1.5
140.02272	0.7
145.06509	2.6
146.06001	2.2
146.99637	1.4
147.06822	4.6
148.07492	0.7
148.97388	1.5
149.01228	6.1
149.02281	1.0
149.96150	1.4
150.96861	1.2
154.12270	3.0
158.06021	87.2
159.06786	6.2
162.05472	1.7
162.09135	1.6
163.07454	0.8
166.98804	0.6
167.02271	2.4
167.97147	1.1
172.07578	1.2
172.13327	4.7
175.06288	18.4
176.06700	0.7
190.08630	100.0
190.14381	2.1
190.98654	0.7
191.06982	1.5
191.08926	3.3
191.14281	2.3
208.99939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
65.03940	3.5
67.05502	2.3
69.03436	0.8
69.22950	2.6
69.23353	0.8
79.05462	0.7
81.07068	0.7
83.04971	0.4
91.05482	16.7
92.05823	0.5
93.07045	1.3
95.04963	0.5
95.08620	0.8
103.05493	0.5
105.07017	1.1
107.08598	1.3
109.06532	9.3
109.07246	0.8
109.10135	0.6
110.06805	0.4
119.04946	100.0
119.06001	5.1
119.08601	1.5
120.05258	3.3
120.08932	0.5
121.10164	1.2
130.06372	0.5
131.04907	1.1
131.08565	1.4
133.10143	1.9
135.08041	1.2
135.11658	0.4
143.08614	0.6
145.10146	1.1
147.04424	1.3
147.11739	0.5
149.13258	0.7
158.10919	0.4
173.13217	1.0
175.03925	0.6
190.06277	1.6
190.13144	0.4
191.14301	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	190.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01870	0.7
55.05502	1.7
59.15819	0.5
61.74732	0.5
65.03941	4.0
65.35380	0.6
67.05500	2.2
69.03428	3.2
69.07066	1.8
70.18189	1.8
70.18578	0.5
79.05504	2.9
81.07058	2.7
83.04975	1.5
83.08625	0.5
83.54272	0.5
86.09699	0.8
91.05483	19.9
93.07047	3.6
95.04980	1.3
95.08603	2.4
97.06532	0.7
103.05466	1.9
105.07037	5.1
106.07422	0.6
107.04966	1.1
107.08593	6.1
109.06520	9.3
109.10139	1.3
117.07037	0.9
119.04945	100.0
119.06007	4.5
119.08574	4.2
120.05266	2.9
120.08897	1.4
121.06525	0.9
121.10162	3.7
123.08097	0.7
129.06970	0.7
131.04912	1.6
131.08563	4.0
133.09210	0.9
133.10136	12.2
134.10493	1.1
135.08020	1.4
135.11705	1.4
137.09599	1.0
145.10190	2.5
147.04379	0.7
147.11688	1.7
148.05144	1.2
148.12015	0.6
149.09612	1.8
149.13260	1.7
151.54549	0.5
158.10916	1.9
161.09644	1.0
163.07594	1.7
172.52678	0.6
173.13287	4.7
176.04727	0.7
190.06305	0.7
190.09488	0.8
190.13095	1.7
190.16707	1.1
191.06981	1.5
191.10648	1.2
191.14328	10.1
191.17859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05523	2.6
57.07075	0.7
62.84058	0.5
65.03950	3.1
66.04673	0.5
67.05514	3.3
69.03439	1.9
69.07066	3.1
72.96760	0.5
79.05486	3.2
81.07058	3.7
83.04977	1.1
83.08624	1.4
84.08562	0.5
91.05480	19.1
92.05819	0.9
93.07055	6.9
94.07403	0.7
95.04976	1.6
95.08609	4.3
97.06534	0.8
97.10167	0.7
98.22632	1.3
102.04669	0.8
103.05491	4.3
105.07037	7.0
106.07362	1.7
107.08601	8.8
109.06525	10.7
109.10165	2.7
115.05469	0.9
117.07002	1.8
118.04162	1.4
119.04946	100.0
119.05999	5.0
119.08594	4.7
120.05277	3.6
120.08927	1.7
121.06503	2.3
121.10155	6.2
123.08038	1.0
129.07091	0.6
130.04195	0.6
130.06546	2.8
130.07378	1.0
131.04971	3.3
131.08566	5.2
132.08931	1.3
133.02884	0.7
133.06470	0.8
133.10136	7.1
134.10469	2.4
135.08067	3.7
135.11690	3.8
143.08543	1.3
145.10143	3.9
147.04414	3.8
147.08064	0.7
147.11687	2.9
148.05159	1.7
148.12047	1.7
149.09630	1.4
149.13274	1.8
158.06883	0.9
158.10931	1.7
160.05118	0.6
162.09068	0.8
163.07520	2.7
163.11192	1.1
163.14842	0.9
172.12009	0.8
173.05949	0.9
173.13315	5.4
175.03897	2.2
175.07159	0.7
175.10735	0.6
176.04692	0.7
190.06297	5.9
190.09401	1.9
190.13051	2.4
190.16751	3.0
191.06874	2.9
191.10715	2.2
191.14342	11.8
191.17967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.56760	0.3
50.99080	0.8
51.74941	0.3
55.05526	0.5
57.07077	27.1
58.07428	0.3
59.99115	5.6
62.93336	0.2
62.99076	0.9
68.42678	0.3
69.07096	0.3
70.99130	0.5
78.00155	45.5
79.05492	0.4
81.03374	0.3
84.08141	0.7
86.09708	9.6
86.10239	0.5
87.10036	0.4
88.02160	0.5
91.05460	0.7
92.01707	1.1
94.60616	0.3
102.04691	0.4
103.05481	3.0
115.05466	0.4
116.05305	1.2
117.07030	0.4
118.04164	0.8
121.10142	0.5
131.04924	2.2
132.05725	0.4
133.02835	0.6
134.06355	49.5
135.06622	0.7
147.04387	1.2
148.05136	1.8
148.07895	3.6
149.01242	0.3
149.02368	0.9
160.05234	0.4
163.07570	2.6
163.35860	0.3
175.03935	0.7
176.04681	0.6
190.06277	1.6
190.12605	100.0
191.06934	2.0
191.11511	0.4
191.12941	3.2
191.14400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12867	1.5
53.03934	3.9
54.53048	1.5
55.01863	2.7
55.05522	7.6
56.96572	16.2
57.03430	3.8
57.07063	4.2
58.18279	1.4
61.37055	1.5
65.03934	3.2
67.05507	7.9
69.03433	9.1
69.07076	12.9
70.56837	1.4
70.95865	2.4
71.04984	5.4
71.31527	2.2
72.93789	11.3
79.05493	15.6
80.05017	4.9
81.03436	2.5
81.07058	10.9
83.04975	5.6
83.08624	3.7
84.52005	1.5
85.06552	2.9
85.85544	1.2
86.16017	1.3
90.94839	12.4
91.04963	3.0
91.05490	38.4
93.07055	18.2
95.04988	7.9
95.08617	13.7
97.06519	7.1
98.97570	4.8
103.05464	11.6
105.04536	2.0
105.07034	56.5
106.06592	9.9
106.07211	2.6
107.04964	3.7
107.08600	47.1
108.04544	2.4
108.08154	1.7
108.95896	2.5
109.02864	2.8
109.06534	10.8
109.10161	17.2
110.06071	3.2
115.05450	5.7
116.06250	2.9
116.98623	3.7
117.07015	11.3
118.04192	2.0
118.06548	11.2
119.00160	1.9
119.04946	2.7
119.08581	25.8
120.05692	1.5
120.08121	8.9
120.08825	1.7
121.06503	9.1
121.10152	32.5
123.08063	6.1
128.04977	3.6
129.06995	7.9
130.04079	1.8
130.06523	2.3
130.07779	2.0
131.00134	3.2
131.04953	10.4
131.08578	47.7
131.97452	6.2
132.04405	3.7
132.32269	1.7
132.95840	17.4
133.06508	2.8
133.10135	100.0
134.05994	3.8
134.10472	4.2
135.08064	22.1
135.09097	2.5
135.11725	9.4
136.07553	3.7
143.08580	13.0
144.09326	6.3
145.06471	6.0
145.07625	6.0
145.10126	32.4
146.06017	75.7
147.08081	2.7
147.11684	10.6
148.05173	5.3
148.12383	1.7
149.01233	16.8
149.09669	9.6
149.13266	35.8
149.96101	12.5
149.98497	2.0
150.96899	42.0
158.10925	22.9
161.09676	2.7
162.05486	2.7
163.03934	2.2
163.07541	13.1
163.08722	3.0
163.11195	5.2
163.14812	3.4
164.07088	6.2
167.02301	5.6
167.97162	11.7
173.05864	3.3
173.07130	4.6
173.09604	4.2
173.13268	67.7
174.05544	6.8
176.04623	2.8
190.98755	2.2
191.06712	11.0
191.08257	7.3
191.10670	4.7
191.11960	2.2
191.14311	79.9
191.97125	6.2
192.06483	12.4
192.08504	2.6
192.10255	4.8
192.14716	2.6
209.98259	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	2.0
53.98461	0.9
55.01869	2.2
55.05500	4.1
56.96562	3.4
57.03424	2.7
57.07064	2.1
59.04979	2.4
65.03931	1.9
67.05503	7.5
69.03426	5.3
69.07071	11.8
69.29961	5.6
71.04982	3.9
72.93787	3.8
79.05498	11.8
79.58354	0.9
80.04991	1.0
81.03398	1.4
81.07062	9.3
83.04975	3.7
83.08630	5.1
85.06520	2.6
90.94820	3.0
91.05487	23.8
93.07044	18.2
95.04979	3.7
95.08613	9.5
97.06544	7.1
98.97568	1.4
103.05482	4.8
105.03368	1.0
105.07035	48.2
106.06557	2.4
106.07292	1.1
107.04975	2.0
107.08596	37.3
109.06500	8.5
109.10161	15.4
111.08076	1.1
115.05450	2.4
116.06246	1.7
117.07021	8.5
118.04149	1.2
118.06525	3.3
119.04990	1.1
119.08580	24.9
119.09438	1.2
120.08096	2.0
120.08907	1.2
121.06525	5.8
121.10140	24.7
123.08094	5.4
123.11687	2.2
128.04958	2.6
128.06258	1.1
129.07039	5.1
130.04161	0.9
130.07780	3.0
131.00188	1.4
131.04929	3.4
131.08572	41.6
131.97424	1.4
132.04449	2.1
132.05598	1.0
132.08977	1.3
132.95865	5.6
133.10133	100.0
134.10480	3.6
135.08052	21.6
135.11702	5.4
136.07571	1.1
143.08559	9.4
144.09309	3.6
145.06483	2.2
145.10135	23.9
146.06010	28.5
147.08073	2.9
147.11685	11.2
148.05161	2.3
148.07553	1.7
148.08778	1.4
149.01224	4.2
149.05969	1.1
149.09599	7.0
149.13268	30.3
149.14456	1.5
149.96104	2.2
150.13541	1.6
150.96895	9.7
158.10918	20.7
160.64886	0.9
161.09612	1.6
162.20445	1.0
163.07552	3.9
163.11165	3.3
163.14822	3.1
164.07082	1.7
167.02274	1.4
167.97229	2.2
171.11652	2.2
171.78673	0.9
173.07130	2.3
173.13264	61.0
174.05507	1.5
174.13625	1.9
176.04630	1.2
191.06964	3.0
191.08316	2.7
191.10670	3.1
191.14310	57.7
191.97090	1.2
192.06578	3.4
192.10213	1.7
192.14653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03950	2.3
55.01886	1.7
55.05499	6.3
57.07081	1.7
62.25163	1.4
64.19130	1.3
67.05502	12.0
69.03430	13.2
69.07066	15.8
69.27133	3.3
69.27535	6.9
71.05003	14.1
79.05490	15.8
81.07058	25.3
83.04985	7.0
83.08612	4.6
85.06551	7.3
91.05473	20.1
93.07043	14.8
95.04980	7.8
95.08617	29.6
97.06522	6.2
98.22625	3.0
99.08106	2.7
103.05466	5.9
105.07034	36.0
107.04971	2.5
107.08601	32.8
109.06528	10.7
109.10141	10.0
111.07990	3.6
115.05457	2.7
116.27637	1.3
117.07042	7.5
118.04161	2.2
119.08577	24.6
121.06489	8.5
121.10155	22.9
123.08047	8.1
129.07011	5.8
130.07799	2.9
131.04916	5.5
131.08572	42.4
133.06500	1.6
133.10135	45.5
134.10385	1.7
135.08070	22.2
135.11693	6.4
136.08817	1.7
143.08589	8.6
144.09329	3.5
145.06505	2.3
145.10124	25.2
147.08060	2.3
147.11693	12.8
148.05151	2.5
149.09636	21.1
149.13263	16.5
155.08560	2.5
155.14267	3.9
158.10904	13.4
161.09641	2.0
163.07516	3.8
163.11157	4.6
163.14838	5.7
173.09668	1.9
173.13264	51.5
174.13564	1.5
176.11954	2.9
191.07014	4.9
191.10709	12.4
191.14316	100.0
192.14597	3.4
203.58157	1.4
210.28508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01867	3.8
55.05511	9.0
56.88797	1.1
57.03444	2.1
57.07056	3.3
59.05005	1.7
65.03941	2.1
67.05509	8.2
69.03426	11.0
69.07069	14.7
69.31852	6.6
71.04991	2.9
71.43765	1.1
79.05133	1.3
79.05501	15.5
81.07061	21.6
83.04984	11.5
83.08606	3.2
85.06545	3.5
87.18699	1.0
91.05482	26.8
93.07047	32.6
95.04958	6.3
95.08608	27.5
97.06533	10.7
98.23441	1.5
99.08075	1.5
102.04688	2.5
103.05468	28.5
105.03414	2.3
105.07031	34.3
106.07357	1.2
107.04954	16.2
107.08597	62.4
108.08916	1.3
109.06522	17.4
109.10136	7.6
111.08080	6.8
115.05450	3.6
116.06202	1.2
117.07027	8.3
118.04143	8.6
119.04900	3.3
119.08591	20.7
120.05708	2.0
121.06508	35.3
121.10140	49.2
122.10463	1.8
123.08071	16.9
123.11714	1.6
129.07021	5.3
130.04149	5.0
130.07751	1.6
131.04932	16.1
131.08568	36.9
132.08884	1.3
133.02841	5.0
133.06499	2.7
133.10130	29.6
135.08052	26.7
135.11661	9.1
137.09569	1.6
143.08574	6.0
144.09329	3.3
144.89796	1.0
145.06473	2.6
145.10123	18.9
146.03616	2.5
147.04457	2.0
147.08069	2.6
147.10597	1.7
147.11688	20.0
148.05203	15.5
148.08841	1.3
149.09616	35.2
149.13258	15.0
158.07388	1.3
158.10921	8.1
159.04495	1.1
159.08003	6.2
163.07544	19.6
163.11235	5.7
163.14815	13.2
169.43871	1.1
173.05875	1.6
173.13268	45.4
174.13622	2.0
176.04655	4.7
176.11980	1.3
177.35468	1.1
191.07004	17.7
191.08545	1.7
191.10638	7.3
191.14313	100.0
192.14651	4.1
198.14630	1.1
211.88745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73077	1.3
53.03957	3.1
53.96166	1.3
55.01864	3.7
55.05508	12.0
57.03436	3.3
57.07064	4.2
59.04993	2.6
65.03937	1.3
67.05502	14.6
69.03436	12.4
69.07063	17.7
71.04982	5.2
71.15866	2.9
73.18777	1.1
73.97674	1.3
79.05489	14.3
81.07058	20.6
83.04971	8.5
83.08617	5.9
85.06536	3.7
86.80845	1.2
91.05479	25.5
93.07044	35.1
95.04970	10.9
95.08605	26.1
95.09173	2.5
97.06529	7.6
97.10169	1.7
103.05479	10.4
105.07028	41.8
106.07368	1.6
106.17317	1.3
107.04964	8.2
107.08591	56.8
108.08941	2.2
109.06525	17.4
109.10149	18.5
111.08093	6.6
115.05415	2.4
116.94064	1.2
117.07001	5.4
118.04147	2.2
119.08574	38.4
119.09452	2.2
121.05653	1.6
121.06512	22.3
121.10138	46.7
123.08066	13.1
123.11702	4.9
125.09631	1.2
126.02236	1.3
129.06955	6.1
131.04893	3.6
131.08566	43.8
133.10127	56.3
134.10445	1.5
135.08049	28.5
135.11665	13.7
143.08559	9.2
144.09326	4.3
145.10120	19.8
147.11662	18.2
148.05194	3.9
149.09615	24.3
149.13271	25.2
152.01350	1.3
158.10925	15.0
162.10425	1.6
163.07539	5.6
163.11188	6.0
163.14806	11.6
173.13269	50.2
174.13647	1.7
176.12000	1.8
191.07037	4.3
191.10698	3.2
191.14317	100.0
191.17918	6.6
192.14644	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05505	6.5
57.03419	5.2
57.07068	2.4
59.04992	2.4
67.05499	9.2
68.84795	1.6
69.07079	11.0
70.43727	4.0
70.44110	3.3
71.04997	4.8
79.05489	11.7
81.07051	13.5
83.04989	2.1
83.08607	5.9
85.06537	2.9
91.05494	19.9
93.07044	20.7
95.04976	7.6
95.08620	11.9
97.06519	6.1
103.05434	1.8
105.07034	47.0
107.08594	31.2
109.06506	11.6
109.10151	19.3
115.05537	2.3
116.06219	2.0
117.07011	5.0
119.08581	23.5
120.08849	1.7
121.06522	3.7
121.10160	30.3
123.08045	6.0
123.11688	6.0
129.07018	3.4
130.07780	3.1
131.08560	36.2
133.10133	100.0
134.10489	3.1
135.08063	23.9
135.11652	3.6
143.08527	11.7
144.09329	4.7
145.10129	26.2
147.11726	12.0
149.09616	5.8
149.13261	32.2
150.10426	2.2
158.10921	21.2
163.11208	2.9
163.14778	4.2
171.11751	2.4
173.13272	56.9
174.13640	2.5
191.12578	3.5
191.14316	53.4
191.17961	2.1
192.14511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
53.03942	2.6
55.01859	1.6
55.05523	6.1
57.03428	2.2
57.07063	3.7
65.03936	2.4
67.05506	8.4
69.03437	14.8
69.06715	1.8
69.07074	18.0
70.35243	2.7
71.04984	4.6
79.05064	1.6
79.05490	17.7
81.07050	17.0
83.04992	6.5
83.08613	4.0
85.06547	5.0
91.05486	21.7
93.07050	17.5
95.04948	6.9
95.08611	16.9
97.06518	7.3
101.76514	1.0
103.05463	6.1
105.07035	34.8
107.04959	7.3
107.08601	39.2
108.08919	1.5
109.06527	12.3
109.10172	5.6
111.08089	7.7
115.05438	3.0
116.06264	2.3
117.07035	7.9
119.08584	33.3
121.06516	10.9
121.10143	34.3
123.08057	9.5
123.11644	1.4
123.15927	1.1
129.06989	5.9
130.07823	1.6
131.04906	2.6
131.08569	31.3
133.10129	28.4
134.57898	1.0
135.08060	25.3
135.11711	6.6
137.09659	2.3
143.08562	4.7
144.09319	3.5
145.10130	16.5
147.08067	2.3
147.11684	14.5
148.05168	1.8
149.09619	41.9
149.13258	13.6
158.10901	10.0
161.09621	1.7
163.07564	2.7
163.11168	3.7
163.14830	4.4
171.11748	1.8
173.09608	1.6
173.13269	33.9
174.13652	1.5
176.12077	1.5
191.07065	2.8
191.10657	4.1
191.14316	100.0
192.14645	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01871	5.2
55.05511	6.8
57.03425	1.0
57.07062	2.5
67.05191	0.9
67.05499	5.8
69.03079	1.1
69.03432	13.2
69.07072	20.5
69.82633	3.6
69.89149	0.7
71.05006	1.6
73.21349	1.0
77.03943	0.8
79.05497	11.0
81.07062	10.2
83.04994	4.7
83.08611	3.1
85.06538	1.5
91.05480	15.7
93.07045	22.6
94.35311	0.7
95.04956	3.9
95.08611	11.4
97.06510	4.1
97.10168	1.1
103.05468	4.8
105.04546	0.8
105.07038	19.1
107.04941	2.7
107.08595	36.7
109.06506	4.1
109.10164	8.6
111.08053	2.0
115.05469	1.8
116.06202	1.0
117.07016	4.0
119.04932	0.9
119.08586	13.7
121.06510	17.1
121.10146	27.0
122.07318	0.9
122.10469	1.1
123.08063	6.1
123.11694	0.9
129.07027	2.1
130.07767	0.8
131.04953	2.2
131.08563	16.9
133.06512	1.0
133.10133	37.6
134.10535	1.1
135.08066	16.6
135.11688	13.1
137.09612	5.6
143.08539	2.9
144.09314	1.2
145.06473	0.8
145.10138	9.4
147.08002	1.5
147.11688	27.6
148.05168	2.0
148.08772	1.1
149.09628	11.2
149.13254	19.5
150.13391	0.8
158.10916	5.6
161.09642	4.9
161.13216	1.6
163.07541	3.3
163.11147	1.7
163.14854	6.2
173.09673	1.5
173.13266	23.7
174.13455	0.8
176.04726	1.2
176.11990	3.0
187.46094	0.7
191.07007	3.1
191.10652	2.9
191.14313	100.0
191.17863	5.9
192.14650	3.2
197.33345	0.7
212.84183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	2.2
55.05519	6.6
55.71286	1.2
57.03432	3.5
57.07070	1.8
67.05500	8.1
69.03082	1.9
69.03435	25.8
69.07075	7.5
70.32967	3.6
71.04994	1.4
79.05495	16.7
81.07063	15.4
83.04960	5.4
83.08617	2.3
85.06526	1.3
89.55694	1.3
91.05484	12.5
93.07045	15.6
95.04969	1.6
95.08624	8.9
97.06555	1.5
103.05479	2.2
105.07040	20.9
107.04965	7.6
107.08598	34.8
108.08965	1.7
109.06528	3.1
109.10168	12.7
115.05428	1.9
117.07042	2.6
118.07751	1.7
119.08609	10.9
121.06508	4.1
121.10152	28.6
123.08072	4.1
129.06960	1.5
130.07787	2.5
131.08569	15.0
133.10136	100.0
134.10440	3.2
135.08064	9.1
135.11708	8.5
137.09607	15.5
143.08565	5.2
144.09369	2.0
145.10117	11.0
147.11685	6.5
149.09636	5.0
149.13255	17.0
158.10904	10.3
161.09554	1.1
163.14813	4.7
173.13284	36.3
174.13539	1.7
191.10699	2.5
191.12575	2.7
191.14322	47.7
191.18031	1.5
192.14598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.1
55.05297	1.5
55.05514	14.1
57.07082	2.6
65.03931	3.7
67.05515	14.1
69.03090	3.7
69.03432	52.5
69.05811	14.6
69.07073	12.5
71.04993	2.2
75.63241	1.8
77.03914	2.1
79.05493	92.5
80.05846	2.1
81.03423	2.6
81.06577	3.8
81.07056	73.4
83.04993	17.8
83.08627	4.4
85.06535	5.0
87.50322	1.9
88.88850	1.9
91.05478	33.5
92.24803	1.8
93.07050	33.6
95.04961	10.6
95.08612	11.9
97.06531	5.1
103.05473	14.3
105.04504	2.2
105.06385	2.7
105.07037	29.5
107.04282	3.0
107.04962	50.6
107.08596	100.0
108.05203	2.6
109.06506	8.7
109.10162	10.6
111.08032	3.6
115.05443	4.5
116.06287	1.9
117.07014	5.2
118.04159	5.0
119.04930	2.2
119.08592	15.7
121.06487	15.9
121.10141	29.0
122.07257	5.4
123.08053	4.5
128.83334	1.7
129.07011	3.8
130.07808	2.5
131.04912	6.6
131.08565	23.4
133.02846	3.1
133.06531	3.2
133.10132	88.2
134.10486	2.3
135.08044	19.5
135.11685	6.8
137.09610	25.2
143.08592	4.7
145.10126	10.9
147.11673	7.8
148.05177	5.3
149.09613	9.1
149.13261	16.7
158.10892	11.0
161.09628	3.6
163.07552	10.0
163.08765	1.7
163.14778	4.1
173.13257	33.4
174.13631	1.8
176.04630	1.9
176.12039	1.6
184.68312	1.8
191.07018	9.4
191.14313	97.9
192.14723	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.7
55.05520	20.2
57.07080	5.2
66.06962	2.9
67.05499	22.8
69.03429	5.4
69.07075	46.4
71.30587	4.8
74.24605	2.6
79.05494	27.5
81.07061	28.1
81.86314	2.8
83.08622	18.5
83.77444	2.8
87.15000	3.5
91.05478	21.0
93.07049	67.8
95.08606	81.5
97.10161	8.8
102.13996	2.8
105.07031	18.9
107.04960	4.6
107.08602	90.2
109.06557	6.5
109.10157	48.9
111.11749	3.4
117.07027	4.0
117.18935	3.4
118.06537	4.3
119.04932	4.4
119.08573	14.0
121.06510	4.7
121.10150	97.1
122.10504	4.0
123.08099	4.0
123.11713	9.7
131.08582	20.9
133.07697	3.6
133.10115	14.0
135.08067	18.8
135.11694	72.7
136.11978	4.0
143.08554	3.3
145.07642	3.1
145.10104	19.7
146.06015	4.9
147.11710	7.9
148.07507	3.8
149.09648	10.8
149.13252	15.8
163.11195	6.7
163.14871	3.0
170.85347	2.8
173.07179	3.5
173.09512	3.7
173.13235	15.3
175.07527	4.7
176.08369	4.9
191.08398	10.0
191.10596	43.1
191.14317	50.7
191.17973	100.0
192.06633	6.7
192.10248	3.9
192.13779	5.7
192.18330	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05513	22.5
55.81225	2.9
57.07072	4.8
67.05499	11.4
69.07075	28.7
79.05481	17.5
80.05831	3.3
81.07054	20.5
83.08635	22.0
91.05499	11.0
91.96677	2.9
93.07048	60.4
95.08606	46.7
97.10176	12.0
105.07050	11.8
107.08606	69.5
109.10159	34.1
121.10150	100.0
121.36349	3.2
123.11693	6.4
135.11702	61.3
147.11607	3.2
149.13264	14.0
191.14290	3.4
191.17979	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05507	21.4
67.05496	12.1
69.07084	38.8
70.36275	14.2
70.97273	5.6
73.89886	5.5
79.05483	16.6
81.07069	18.6
83.08625	17.3
85.14935	5.7
91.05506	6.9
93.07060	51.4
93.51717	6.3
95.08609	75.8
97.10134	8.6
98.23280	6.9
98.24681	6.0
105.07021	9.2
107.08609	61.9
109.10161	37.9
121.10143	100.0
121.77012	5.2
123.11739	10.9
131.43188	7.1
135.11699	66.1
149.13295	17.1
191.17961	92.3
191.68970	7.2
192.10284	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	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.48318	2.0
53.03947	3.5
55.05509	30.0
57.07060	7.6
67.05502	26.0
69.03429	2.7
69.07068	48.5
71.04978	2.3
79.05493	28.1
81.07058	37.9
82.30339	2.1
82.30856	2.1
83.08618	24.5
91.05474	20.8
93.07044	78.8
95.04976	2.5
95.08612	95.5
96.08948	3.5
97.10181	18.5
98.22549	4.4
105.07019	15.9
107.08598	100.0
108.08950	2.3
109.06529	2.3
109.10154	64.4
117.06973	2.6
119.08581	7.0
121.10149	98.7
122.10488	2.0
123.11720	13.0
131.08571	9.4
133.07602	2.2
133.10149	4.8
135.08051	4.1
135.10660	4.9
135.11694	96.6
145.10126	6.5
146.05951	4.2
147.11670	7.5
149.13275	24.0
163.14728	4.1
173.13277	12.6
179.12552	2.0
181.09492	2.1
191.14348	20.2
191.17950	97.1
192.06419	2.8
192.10081	3.5
192.18279	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01876	1.3
55.05511	15.0
57.03426	1.3
57.07072	3.9
62.03222	1.2
66.24117	1.1
67.05505	13.8
69.03430	1.5
69.07071	36.4
79.05495	15.2
81.07063	18.1
82.74344	1.3
83.08620	13.7
90.46661	1.0
91.05470	12.1
91.96474	1.4
93.06468	2.6
93.07048	46.3
94.93581	1.4
95.04960	2.0
95.08606	75.0
96.08937	2.4
97.06502	2.3
97.10181	7.4
98.22619	3.1
105.07042	12.9
107.08598	65.7
108.08900	3.0
109.06527	3.9
109.09447	2.4
109.10162	35.6
111.11719	1.5
117.06994	2.8
119.04975	2.4
119.08573	7.8
121.06493	2.7
121.10145	77.3
122.10468	2.5
123.08067	2.3
123.11723	5.9
131.08600	7.6
133.10133	7.8
135.08099	6.0
135.11691	57.2
136.12021	2.2
145.10107	6.5
146.05963	1.6
147.11678	9.2
149.09610	3.3
149.13254	16.7
163.14809	3.9
173.13231	7.5
191.10622	3.2
191.14316	27.7
191.17952	100.0
192.06523	1.5
192.14197	1.6
192.18280	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	1.4
55.05515	13.9
57.07064	1.8
67.05510	12.0
69.07071	36.5
69.08476	9.3
71.08605	1.2
79.05486	8.5
81.07060	14.5
83.08623	12.9
91.05484	7.5
93.07053	42.0
94.07398	1.1
95.04980	1.4
95.08613	70.0
96.08945	1.6
97.10174	9.0
97.74791	0.9
105.07030	7.0
107.04936	1.1
107.08601	54.8
109.06516	1.5
109.10156	32.2
111.11703	1.7
119.04937	1.1
119.08565	1.5
120.42419	1.0
121.06532	1.1
121.10151	71.5
122.10464	1.9
123.11750	6.4
129.41718	1.1
131.08588	2.1
133.07599	1.4
133.10109	2.7
135.08083	2.2
135.11703	54.6
136.08635	1.2
136.12067	2.0
145.10106	1.7
147.11670	2.2
149.13258	11.0
163.14781	2.7
173.13304	2.4
173.88116	1.0
191.10683	1.9
191.14381	10.9
191.17950	100.0
192.08447	1.1
192.18356	5.7
208.75246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0656
Annotation	5-Hydroxyindoleacetate
Peak:m/z	Relative Intensity
51.02387	0.4
52.52615	0.4
53.03953	0.8
53.08980	0.3
55.01870	1.1
56.56931	0.5
56.64243	0.5
56.96557	0.9
65.03939	0.9
67.05499	0.7
68.18861	0.4
69.03423	0.8
69.07053	0.5
69.50045	1.6
70.95859	0.9
71.04991	0.5
72.93784	2.1
79.05496	3.4
80.05005	1.8
81.03408	1.2
83.04972	0.6
90.94827	2.3
91.05473	3.2
93.07037	1.1
95.04972	1.3
102.41795	0.4
103.05487	3.1
104.05022	0.7
105.03393	0.5
105.04544	0.6
105.07032	10.3
106.06558	9.2
107.04935	1.0
108.04506	0.8
108.08129	0.7
108.95869	0.5
109.02879	1.3
109.48196	0.4
110.06052	0.6
115.05444	2.2
117.05775	1.0
118.04157	1.8
118.06554	5.6
118.07350	0.7
119.04942	1.1
119.06799	0.4
120.08107	2.7
121.07607	1.1
122.03676	0.7
122.06010	0.6
128.04973	4.8
130.06566	0.5
131.04932	1.2
131.97473	0.5
132.04453	3.7
132.95827	5.6
133.02856	2.3
133.06487	9.3
133.07332	0.4
133.10138	0.6
134.06053	1.2
136.07571	2.1
137.05978	0.8
143.06044	0.6
146.06006	100.0
147.04448	0.9
147.06386	2.3
148.07550	1.2
149.96092	1.4
150.03091	3.5
150.09178	0.5
150.96901	11.2
161.02342	0.8
161.05989	8.1
164.07037	3.6
165.05566	0.7
165.06738	0.5
167.97182	2.0
174.05521	5.9
174.09193	0.5
174.13667	0.7
178.02618	12.3
180.97028	0.4
191.97176	1.6
192.06554	7.6
192.08453	1.1
192.09973	3.2
192.13776	0.8
192.14565	0.7
193.04967	32.3
193.08322	2.3
209.98151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1021
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
53.03953	1.0
54.96479	0.8
55.01869	3.3
56.05052	1.9
57.03432	0.8
60.04525	1.4
68.05011	2.5
69.96552	1.9
69.96928	2.8
70.06582	1.9
72.04504	1.6
76.64888	0.9
79.05491	2.1
80.05008	2.3
81.05817	2.2
91.05473	4.6
97.02923	1.1
98.06061	2.3
98.97588	1.1
103.05471	4.5
105.07043	23.1
107.04960	29.4
115.05434	3.2
117.07027	18.5
119.04952	1.4
119.08575	3.1
121.02865	3.8
121.06503	3.6
127.05445	1.5
128.06235	1.7
129.07025	3.1
131.04918	5.4
132.05711	1.1
132.95883	1.1
133.06499	98.5
134.06851	3.0
142.04140	0.9
144.05698	1.7
145.06490	59.1
146.05911	1.4
146.06931	2.0
146.09724	1.1
147.08049	20.8
147.76062	1.0
150.96906	1.1
155.06042	10.7
157.06491	19.2
158.06752	1.2
159.06763	10.9
160.07553	3.0
161.08369	13.6
162.09145	20.6
174.09146	24.9
175.07544	4.9
175.09392	1.0
192.10197	100.0
193.10461	3.1
203.41454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	DEET
Peak:m/z	Relative Intensity
53.03947	0.1
55.01877	0.7
65.03935	2.2
67.05513	1.0
70.83450	0.1
71.00743	0.2
71.01078	0.1
72.04517	6.1
72.08147	0.3
79.05485	0.3
80.05021	0.1
80.48111	0.1
81.07076	0.1
91.05478	8.5
92.05804	0.2
93.07056	0.3
95.04967	0.4
100.07616	5.5
103.05461	0.3
105.07027	1.6
107.04967	0.1
109.06519	7.2
110.06847	0.2
115.05442	0.4
118.04176	0.3
118.06547	0.5
119.04943	100.0
119.05939	3.7
120.05263	2.6
120.08066	0.1
121.07656	0.2
124.47128	0.1
132.08102	0.2
133.06502	1.3
135.04434	0.1
137.05940	0.1
143.06079	0.1
144.64972	0.1
146.06071	0.2
150.06802	0.2
161.05975	1.2
165.09128	0.2
171.24126	0.1
174.05478	0.1
192.13828	36.3
193.08556	0.4
193.14206	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02356	0.4
53.03937	1.3
55.01863	1.5
55.05494	0.5
59.70943	0.3
65.03933	0.9
66.04708	0.5
67.05486	1.0
68.99792	0.7
69.03425	1.0
70.06603	0.5
71.31556	0.5
79.05494	4.6
81.03410	1.0
81.07048	1.0
83.04948	0.4
90.04715	0.4
91.05481	4.8
93.07038	0.9
94.04169	0.7
94.06563	0.5
95.04961	1.2
95.08602	0.6
97.02884	0.7
97.06525	0.7
103.05470	5.4
105.03377	1.2
105.07030	29.7
106.06582	0.4
106.07372	0.6
107.01333	0.6
107.04984	0.8
107.06857	0.5
107.08582	0.8
108.04501	0.4
109.02874	0.7
109.05254	0.5
109.06509	1.1
109.24664	0.3
110.06021	0.4
115.05456	6.7
116.35826	0.3
118.04169	3.7
118.06554	0.4
119.04921	1.5
119.06072	0.3
119.06862	0.6
119.08572	1.3
120.08097	0.5
121.02876	0.5
121.06470	0.4
121.06820	0.4
121.07647	3.6
122.03648	2.0
122.07260	0.5
123.04379	0.5
124.22408	0.3
127.95698	0.3
131.04918	1.9
132.05653	0.9
133.02863	5.9
133.06493	23.5
133.10129	1.0
134.06828	0.7
135.11710	0.8
136.07565	1.4
137.05983	2.4
143.05054	0.5
143.06006	2.2
146.06003	1.9
147.04404	1.9
147.06357	10.2
147.08104	0.7
147.11652	0.5
148.07547	1.1
149.05936	1.0
150.03131	9.6
150.96834	0.4
151.03886	1.2
151.07523	0.6
151.96994	0.4
152.07069	0.6
160.05186	0.4
161.02345	1.6
161.05978	23.5
162.03107	1.0
162.06395	0.7
163.03857	0.3
163.46716	0.4
165.01933	0.4
165.05475	1.8
165.07283	0.6
165.09082	0.8
165.10329	0.4
166.08633	0.6
175.03860	0.4
175.05948	0.5
175.07559	0.9
175.08827	0.5
176.07115	0.5
178.02609	39.2
179.03070	1.4
188.92380	0.5
193.04965	100.0
193.08553	4.2
193.10072	3.6
193.15814	0.7
194.05353	4.2
194.07986	1.8
194.15356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	1.2
55.05510	0.9
56.29360	0.3
57.03422	0.7
59.58184	0.3
62.98132	0.3
63.40664	0.3
65.03930	0.5
66.09026	0.3
67.05505	1.9
68.88258	0.3
69.03426	0.5
69.07053	1.1
71.04984	1.1
71.31213	0.5
77.03924	1.4
79.05489	4.7
81.03397	1.0
81.07050	2.7
83.04975	0.6
85.84717	0.3
89.03913	0.4
90.04676	0.3
91.05477	6.7
93.07030	2.7
94.04177	1.3
95.04973	2.1
95.08617	2.0
97.02901	0.5
97.06543	0.7
99.01855	0.3
99.08092	0.5
103.05467	3.4
104.06271	0.4
105.03394	5.0
105.07030	23.6
106.07339	0.8
107.04941	1.4
107.08588	2.6
109.02910	0.3
109.06506	1.4
109.10158	1.5
111.04490	0.4
112.35538	0.3
115.05459	4.7
117.03338	0.5
117.07040	0.6
118.04151	2.5
119.04971	0.6
119.08577	3.8
121.06511	0.5
121.10116	0.9
122.03648	6.7
123.08054	0.6
123.11720	0.4
128.06175	0.4
129.06970	0.8
131.04944	1.1
131.08592	1.0
132.05679	0.9
132.16084	0.3
132.58659	0.3
133.02853	39.0
133.06490	19.0
133.10120	6.8
134.03197	1.4
135.08002	0.8
135.11676	1.8
137.05978	12.5
137.07039	0.7
137.09630	1.3
138.06343	0.3
143.05020	0.5
143.05994	1.7
146.03642	0.4
147.04404	11.5
147.08040	2.8
147.11691	2.1
148.04778	0.4
149.05969	1.8
149.09624	0.9
149.13234	0.5
150.03122	4.8
151.07539	0.5
151.11206	0.8
156.04288	0.3
157.10078	0.4
160.05190	0.5
161.02342	0.6
161.05978	16.3
165.05476	4.4
165.09048	0.4
175.07582	1.9
175.11208	1.8
175.14876	1.5
178.02614	26.7
178.06161	0.9
178.39888	0.3
179.02971	0.8
193.04965	100.0
193.08522	6.1
193.12157	3.3
193.15991	2.2
194.05292	3.9
194.15353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
50.54739	0.3
51.02392	0.3
53.03938	0.7
55.01871	1.8
55.05517	0.3
59.04992	0.3
65.20438	0.2
66.04714	0.7
67.05500	0.5
69.03419	0.4
69.07086	0.2
69.61861	0.5
69.62270	0.8
73.39710	0.3
77.03941	0.7
79.05494	5.1
81.03417	0.6
81.07055	1.1
83.05024	0.3
89.03928	1.2
90.04692	0.5
91.05485	3.3
93.00341	0.3
93.07048	1.0
94.04195	1.2
95.04949	1.3
95.08605	0.5
98.22558	0.3
103.05473	5.7
104.06281	0.3
105.03389	1.6
105.07030	35.4
106.07362	0.6
107.04972	0.8
107.08592	1.2
109.06534	1.4
115.05460	8.2
116.05794	0.4
117.03384	0.6
117.07030	0.4
118.04166	4.4
119.04922	0.5
119.08573	1.8
122.03651	7.0
123.08086	0.4
131.04932	1.5
132.05724	0.7
133.02853	44.1
133.06488	31.1
133.10129	1.1
134.03090	1.3
134.06816	0.8
135.04442	0.4
135.08055	0.4
135.11705	0.9
137.05978	12.6
137.09558	0.4
143.04921	0.6
143.06058	2.6
147.04440	0.7
147.08032	0.4
147.11688	0.6
149.06000	2.6
149.07112	0.4
150.03133	5.1
150.06612	0.4
151.07530	0.3
151.11171	0.8
161.05981	30.1
162.06371	0.9
165.05479	4.4
165.09148	0.5
175.11162	1.3
175.14850	0.4
178.02608	28.0
179.03014	1.0
193.04967	100.0
193.08505	4.9
193.12103	1.5
194.05347	3.4
201.15225	0.3
208.64655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54739	0.3
51.02392	0.3
53.03938	0.7
55.01871	1.8
55.05517	0.3
59.04992	0.3
65.20438	0.2
66.04714	0.7
67.05500	0.5
69.03419	0.4
69.07086	0.2
69.61861	0.5
69.62270	0.8
73.39710	0.3
77.03941	0.7
79.05494	5.1
81.03417	0.6
81.07055	1.1
83.05024	0.3
89.03928	1.2
90.04692	0.5
91.05485	3.3
93.00341	0.3
93.07048	1.0
94.04195	1.2
95.04949	1.3
95.08605	0.5
98.22558	0.3
103.05473	5.7
104.06281	0.3
105.03389	1.6
105.07030	35.4
106.07362	0.6
107.04972	0.8
107.08592	1.2
109.06534	1.4
115.05460	8.2
116.05794	0.4
117.03384	0.6
117.07030	0.4
118.04166	4.4
119.04922	0.5
119.08573	1.8
122.03651	7.0
123.08086	0.4
131.04932	1.5
132.05724	0.7
133.02853	44.1
133.06488	31.1
133.10129	1.1
134.03090	1.3
134.06816	0.8
135.04442	0.4
135.08055	0.4
135.11705	0.9
137.05978	12.6
137.09558	0.4
143.04921	0.6
143.06058	2.6
147.04440	0.7
147.08032	0.4
147.11688	0.6
149.06000	2.6
149.07112	0.4
150.03133	5.1
150.06612	0.4
151.07530	0.3
151.11171	0.8
161.05981	30.1
162.06371	0.9
165.05479	4.4
165.09148	0.5
175.11162	1.3
175.14850	0.4
178.02608	28.0
179.03014	1.0
193.04967	100.0
193.08505	4.9
193.12103	1.5
194.05347	3.4
201.15225	0.3
208.64655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0498
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03949	0.6
55.01875	1.9
65.03940	0.7
66.04706	0.5
67.05497	0.9
69.03425	0.6
70.06582	0.4
71.30499	0.5
73.32201	0.3
77.03912	0.6
79.05490	3.9
80.05042	0.3
81.03423	0.4
81.07040	0.8
83.04964	0.3
90.04711	0.3
91.05481	4.6
93.07025	0.6
94.04176	0.5
95.04969	1.4
95.08596	0.5
97.02864	0.5
97.06522	0.6
103.05468	4.3
104.06250	0.4
105.03382	1.2
105.07031	24.4
106.06587	0.3
106.07384	0.4
107.01329	0.4
107.04945	1.0
107.06886	0.7
107.08575	0.7
108.02098	0.4
108.04454	0.4
109.02850	0.4
109.06506	1.0
109.10152	0.4
111.04423	0.4
111.08078	0.4
115.05453	5.8
118.04171	3.2
119.04928	0.8
119.06863	0.3
119.08582	1.1
120.08098	0.3
121.06528	0.5
121.07629	1.5
122.03631	1.7
123.04489	0.3
124.07561	0.3
125.02319	0.3
129.05370	0.4
131.04935	1.5
132.05724	0.4
133.02859	5.3
133.06491	21.2
133.10143	1.3
134.06845	0.7
135.11685	0.6
136.07581	0.8
137.05972	2.0
137.09589	0.4
143.05031	0.4
143.06015	1.8
146.06024	1.1
147.04568	1.6
147.06361	7.2
147.08107	0.9
147.11670	0.6
148.07570	0.4
149.05983	0.6
150.03116	9.6
150.96922	0.4
151.03825	0.6
151.97130	0.4
152.07021	0.5
157.10115	0.3
157.13914	0.3
161.02380	1.6
161.05981	20.5
162.03094	1.3
162.06300	0.9
165.05446	0.9
165.09097	0.7
166.08624	0.6
175.03918	0.5
175.06009	0.4
175.07513	0.5
175.11264	0.4
178.02615	37.9
179.03003	1.4
193.04971	100.0
193.08582	3.5
193.10019	2.3
193.15895	0.5
194.05359	3.0
194.08154	0.9
194.15384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03953	1.2
55.01876	4.4
56.16331	0.4
66.04718	0.7
69.98626	0.4
70.68241	0.9
79.05493	11.4
89.03909	0.5
90.04709	1.6
91.05482	3.7
95.04958	1.7
103.05470	16.1
104.06264	1.0
105.07032	100.0
106.07375	2.9
115.05458	21.3
116.05754	0.7
118.04163	11.2
118.05007	0.6
130.04129	0.6
131.04918	3.6
132.05684	1.7
133.06493	84.2
134.06825	2.6
143.04930	1.7
143.06021	7.5
144.06393	0.5
149.05946	0.9
157.80289	0.5
161.05981	87.9
162.06337	2.5
162.80569	0.4
178.06248	1.1
193.08617	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	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.99489	0.4
53.03947	1.8
54.92300	0.5
55.01881	3.7
55.48906	0.5
66.04739	0.6
69.07062	0.5
77.03911	0.7
79.05495	13.3
81.07066	1.5
90.04700	1.1
91.05477	6.0
91.78054	0.5
93.07043	1.0
95.04964	1.4
95.08610	1.4
102.34361	0.5
103.05475	14.2
104.06274	0.9
105.07036	100.0
106.07362	2.8
106.52184	0.5
107.04970	0.7
107.08591	1.6
109.06512	0.6
109.10153	1.2
111.03462	0.5
115.05460	21.0
116.05785	0.7
118.04167	13.1
119.08584	5.8
121.10152	2.1
123.08077	0.5
131.04959	4.1
131.08548	0.7
132.05717	1.6
133.06497	78.9
133.10135	4.2
134.06847	2.4
135.11697	1.2
143.04922	1.3
143.06036	7.2
147.11722	2.2
149.06026	0.6
149.13243	1.1
160.05301	0.5
161.05988	83.5
162.06339	1.9
175.14816	5.9
178.06314	0.7
193.04875	1.1
193.08617	12.1
193.15945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.84914	0.9
51.03728	1.1
52.70222	1.2
52.84375	1.0
53.03934	2.0
55.01870	4.2
56.28305	1.0
67.05505	2.3
69.58799	4.0
69.59178	2.0
75.47940	0.9
79.05502	14.0
81.03410	1.3
83.08633	1.0
89.02787	1.1
89.75631	1.1
90.04717	1.9
91.05486	5.7
93.07034	1.9
95.04974	2.6
95.08604	1.8
103.05473	17.8
105.07030	100.0
106.07359	2.3
107.05003	1.1
107.08567	1.1
109.10157	1.4
115.05459	24.9
118.04154	11.4
119.08561	1.7
121.07671	4.9
131.04936	5.1
132.05753	1.2
133.06491	81.2
133.10117	2.5
134.06824	2.5
136.31111	1.1
137.05952	1.5
143.05043	1.4
143.06029	6.9
148.07538	1.4
149.05896	1.4
161.05984	90.6
162.06345	2.0
178.07669	1.5
193.04910	2.8
193.08310	7.1
193.09993	3.1
193.12138	1.5
193.15935	2.2
194.08080	2.6
194.15315	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	194.0813
Annotation	2-(2-Hydroxyethyl)-4-hydroxyisoindolin-1-one
Peak:m/z	Relative Intensity
51.02393	0.6
55.01877	5.5
56.96582	0.5
58.10502	0.4
59.69909	0.4
59.88920	0.4
60.04529	0.5
60.23283	0.4
65.03925	0.6
70.80524	0.8
71.01366	0.5
71.39684	0.4
79.05505	1.2
80.05005	0.5
81.03367	0.4
81.07042	0.7
83.01348	1.8
84.08146	0.6
89.03930	1.3
91.01881	0.4
91.05470	2.9
93.03404	0.7
93.05785	2.1
93.07056	1.5
94.06575	1.7
95.04967	0.8
95.08646	0.4
96.04488	0.6
103.05473	3.2
104.04994	0.9
105.07034	0.9
106.06563	27.9
107.04963	0.5
107.06896	0.7
108.04482	0.5
111.04451	0.9
115.05486	0.6
117.03407	2.1
117.05749	1.2
118.06551	1.8
119.08608	0.5
120.04447	2.8
120.08128	5.4
120.08936	0.7
121.06533	0.6
125.05979	1.0
128.04947	1.7
130.02869	1.3
130.06534	100.0
131.04916	0.5
131.06787	3.0
132.04459	48.1
132.08098	12.0
133.04811	0.8
134.06015	5.0
134.06912	0.5
136.07652	0.5
138.05482	0.8
145.02853	3.6
146.06013	14.7
147.06342	0.4
148.07578	65.3
149.05997	1.7
149.07935	1.7
149.09625	0.6
150.05460	0.9
153.05438	1.5
158.06020	20.7
159.06412	0.5
162.06378	0.6
163.03882	0.6
166.08701	1.0
176.07076	51.5
177.05482	3.6
177.07381	1.6
194.05305	0.6
194.08122	4.1
194.09906	0.6
194.11795	1.0
194.15402	3.7
195.06505	0.8
195.08287	0.5
195.32751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01867	1.3
57.03440	4.2
65.03945	1.2
67.05508	1.9
69.03416	0.5
69.76105	1.0
77.03921	1.0
78.04707	1.0
79.05493	7.0
80.05833	1.0
80.06287	1.3
81.07043	0.8
91.05480	33.2
92.05824	1.3
93.03425	0.8
93.07048	3.6
95.04960	2.1
95.08584	0.5
102.04684	3.8
103.05473	17.6
104.05725	1.1
104.06348	0.9
105.03385	0.9
105.07033	21.1
106.07343	4.2
107.04972	4.0
108.05798	2.5
109.06503	1.3
112.36776	0.5
115.05473	5.6
116.06263	11.6
117.07037	1.8
118.04152	1.9
119.04951	46.1
120.05275	1.1
121.06522	2.8
123.04453	4.5
123.08077	6.8
130.04126	1.8
131.04927	37.4
132.05777	2.9
133.02852	7.1
133.06494	25.2
134.07214	7.7
135.04411	0.5
135.08014	0.8
136.05182	2.0
137.05986	2.4
138.06297	0.9
144.05688	2.0
145.06514	0.6
147.04407	24.4
147.08040	0.9
148.04723	1.0
148.07434	0.5
149.06023	2.3
151.07547	41.4
152.07870	1.0
159.11504	0.5
161.06004	7.3
162.06650	3.8
163.07544	19.6
164.08018	0.9
165.05487	3.1
166.09453	1.4
167.07036	2.3
177.09126	5.3
179.07031	53.7
180.07368	1.7
193.08598	1.8
194.09393	100.0
194.15295	4.6
195.09790	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03927	1.3
55.01850	0.7
58.71249	0.5
63.02361	1.2
65.03939	5.5
67.71565	0.7
70.06599	0.8
70.20892	2.1
71.04995	0.8
78.04696	2.1
79.05489	3.9
81.03406	0.9
83.04932	0.7
84.08115	1.1
85.94384	0.6
89.03915	29.4
91.05473	7.3
93.03409	8.0
93.07034	2.3
95.04972	1.9
98.22700	0.8
103.05457	2.3
105.04510	0.9
105.07018	0.8
106.04152	2.9
107.04942	6.7
109.06537	1.1
110.03645	1.0
111.04437	9.8
117.03376	52.9
118.03739	1.4
119.04923	2.8
121.02792	1.1
121.06499	2.2
123.04396	0.9
124.05183	1.1
125.05991	13.2
125.06926	0.8
133.02820	1.0
134.03641	8.3
135.04422	11.5
135.08054	1.5
137.05945	0.9
145.02843	81.2
146.03172	2.6
148.97369	0.9
149.05975	30.5
149.09465	0.7
150.09135	1.0
153.05455	22.9
162.03099	3.1
163.03902	12.7
165.05460	0.7
167.07040	2.5
167.08469	0.7
177.05461	100.0
178.05814	3.5
195.02907	0.8
195.06537	4.2
195.11429	0.9
195.15643	0.6
196.09659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
52.08450	0.5
53.00291	0.4
53.03954	1.9
53.20846	0.3
55.01877	1.2
65.03931	0.5
66.01275	0.3
67.05504	0.6
70.27920	1.3
71.43817	0.4
77.03934	1.0
78.04726	1.0
79.05493	13.1
89.03915	0.8
89.05993	0.5
91.05470	7.3
92.06301	0.5
93.03416	0.5
94.39355	0.5
95.04972	4.9
102.04635	0.4
103.05467	13.4
105.04527	1.2
105.07030	13.2
106.04161	0.6
107.04955	100.0
107.08598	1.9
108.05299	2.2
110.03666	0.7
115.05453	8.4
116.06249	0.7
117.03389	1.5
117.07035	2.8
119.04936	1.1
120.05736	2.7
121.06480	1.2
122.03621	0.6
123.04442	2.1
124.05232	2.2
124.47737	0.4
125.06011	1.2
131.04932	1.1
133.02826	1.9
133.06485	0.9
135.04453	2.1
135.08052	24.4
136.08357	1.3
137.05997	2.4
139.03926	1.9
145.02840	1.4
145.06570	0.5
145.07568	2.0
147.04414	3.2
148.05202	0.5
149.05959	1.3
150.03079	0.5
151.03934	1.0
152.04688	1.7
153.05415	2.3
154.06239	6.7
163.07549	31.3
164.07964	0.8
165.05457	2.2
167.07039	37.5
168.07372	1.0
177.05429	2.3
180.07808	6.7
195.10161	31.0
196.10466	0.9
214.15231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03933	1.8
55.01862	1.6
55.05502	1.9
57.03423	0.7
65.03940	6.0
67.05502	2.5
68.99776	0.5
69.03424	0.9
69.07051	1.3
71.04980	0.7
71.30599	0.6
78.04688	0.6
79.05489	10.8
81.03410	1.3
81.07059	4.0
83.04959	1.0
83.08620	1.1
84.55399	0.4
85.02898	0.6
85.06546	0.9
88.04875	0.5
91.05476	7.3
92.06284	0.7
93.03410	6.8
93.07037	4.3
95.04976	3.1
95.08604	3.1
97.06509	1.0
97.10173	0.6
103.05470	25.7
104.05795	0.5
104.90255	0.4
105.03400	0.8
105.04527	0.9
105.07030	11.6
107.04957	40.4
107.08572	3.6
109.02860	1.1
109.06537	0.7
109.10152	1.5
111.04446	5.2
111.08070	0.8
115.05458	5.0
117.03406	0.9
117.07012	1.8
119.04910	0.8
119.08586	0.7
120.05730	3.1
121.02836	0.6
121.06507	2.3
121.10130	1.5
123.04429	0.5
124.05225	2.6
125.05956	0.9
125.09650	0.8
131.04945	5.1
131.08589	0.7
133.06549	1.0
133.10150	1.0
135.04428	1.9
135.08054	18.6
135.11717	3.1
136.08386	0.7
137.05968	0.8
139.03900	31.2
140.04338	0.5
145.02826	1.1
145.06503	0.6
145.07622	1.0
147.04401	0.6
148.05228	0.5
149.05977	0.9
149.09613	0.7
149.13216	1.1
151.04012	0.5
152.04669	0.5
152.06244	0.7
153.05467	0.5
154.06250	100.0
155.06619	3.3
159.11687	0.9
163.03952	2.1
163.07544	30.8
164.07947	1.1
165.05759	0.6
165.07028	2.2
167.07047	5.7
167.08554	1.9
177.05481	1.3
177.07013	1.3
177.12798	0.7
180.07802	1.5
180.09343	1.7
195.06496	1.1
195.08098	2.4
195.10161	7.0
195.11729	2.9
195.13828	1.6
195.17520	0.5
213.08507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03954	7.8
55.01878	4.6
55.05508	18.0
57.03439	3.7
65.03943	4.5
67.05505	62.2
69.03431	2.4
69.07066	17.3
71.01365	2.3
71.04989	8.0
79.05495	53.4
81.03429	19.4
81.07056	100.0
83.04984	15.0
83.08616	13.0
85.06555	5.6
91.05481	44.1
91.63742	1.6
93.07044	61.7
93.07627	3.4
95.04980	9.5
95.08609	31.7
97.06528	11.7
105.04553	2.8
105.07024	16.4
107.04956	42.5
107.08588	31.5
109.06525	5.2
109.10156	8.4
111.08075	6.3
117.06999	12.7
119.08618	4.0
121.06516	8.6
121.10146	15.9
123.04427	1.6
123.08094	2.3
123.11725	2.9
124.05238	2.1
130.96283	2.8
131.08574	12.5
133.02835	4.9
133.10129	28.8
135.04416	13.3
135.08064	5.7
135.11691	38.3
135.12680	2.6
137.05994	7.4
137.09596	16.1
145.03951	2.8
148.97366	2.9
149.06038	2.8
149.09663	2.1
149.13258	16.8
149.97176	3.4
151.07477	1.6
151.11263	3.9
159.11697	14.7
160.12115	1.6
163.03900	16.1
165.05513	2.7
165.06905	2.2
167.07043	4.7
171.99036	2.2
176.41341	1.4
177.05380	2.6
177.12746	13.6
178.08537	1.7
190.95267	1.5
195.06506	7.2
195.08096	3.0
195.11449	4.8
195.13844	18.4
195.15701	5.3
196.09732	2.3
196.17041	2.9
197.01378	1.9
210.88588	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.01603	0.2
50.10104	0.2
51.02381	0.5
51.91957	0.2
53.03951	2.8
55.01622	0.4
55.01873	3.6
55.05515	19.0
57.03444	4.8
57.07078	1.6
59.05000	0.6
62.06417	0.2
65.03943	3.1
67.05508	67.2
68.05841	0.9
68.96332	0.2
68.99805	0.3
69.03426	1.4
69.07072	19.4
70.07379	0.3
70.38811	0.7
71.01361	2.6
71.04647	0.4
71.05000	5.3
71.08633	0.3
73.02933	1.3
73.06567	0.3
77.03930	0.7
78.04748	0.3
79.05497	47.4
80.05828	1.0
81.03424	18.0
81.07060	100.0
82.07393	1.6
83.04986	13.7
83.08627	11.7
84.08137	0.3
85.02905	1.1
85.06547	4.3
87.04468	0.7
91.05484	45.3
92.05829	0.9
93.07048	64.8
94.07361	1.4
95.04970	7.6
95.08609	34.3
96.08941	0.8
97.06535	11.3
97.10182	1.4
99.04449	0.8
99.08086	1.6
101.06026	0.3
103.05500	1.1
105.04514	1.7
105.07035	15.2
106.07362	0.4
107.04967	2.4
107.08599	29.0
108.08938	0.7
109.06522	4.0
109.10166	3.8
111.04430	0.4
111.08080	5.1
113.06013	0.9
113.09647	0.7
115.05453	1.1
116.06265	0.5
117.07027	13.6
119.06104	0.3
119.08591	3.3
121.06514	6.1
121.10146	8.8
123.08083	1.1
123.11707	2.8
125.06013	0.5
125.09618	0.9
129.07030	0.8
130.07843	0.5
131.08574	15.2
132.08929	0.3
133.10138	27.0
134.10461	0.7
135.08083	3.9
135.11697	33.0
136.12039	1.0
137.09572	0.3
139.07561	0.8
139.11162	0.4
144.09387	0.7
147.11671	0.7
149.09631	1.9
149.13263	16.0
149.97240	0.6
150.13618	0.3
151.11177	3.5
151.12308	0.4
153.09134	1.2
157.10147	0.5
159.11697	14.7
160.12039	0.5
165.06993	0.6
167.07016	0.2
167.14296	0.5
177.12756	12.2
195.07999	0.4
195.11885	0.8
195.13817	18.5
195.15562	0.8
196.14291	0.6
196.17009	0.4
197.24535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.2
54.84595	0.6
55.01864	2.6
55.05267	1.2
55.05513	12.8
57.03437	3.1
57.07074	2.1
59.05003	1.1
62.29406	0.7
65.03942	2.4
67.05506	54.2
68.53564	0.6
69.03441	1.8
69.07072	13.2
70.86237	1.3
71.01360	1.2
71.04983	5.1
72.16210	0.6
73.02929	0.7
73.12329	0.6
77.03946	0.9
79.05495	32.5
81.03422	8.5
81.07058	100.0
82.07373	1.1
83.04977	8.2
83.08625	8.8
85.02867	0.6
85.06540	3.3
87.04462	1.3
91.05480	21.9
92.05808	0.6
93.07046	62.0
94.07367	1.4
95.04975	5.0
95.08610	45.0
96.08899	1.1
97.06530	8.3
99.08108	1.1
105.04540	1.5
105.07027	9.0
107.04957	2.8
107.08595	23.4
108.08859	0.9
109.06521	3.0
109.10168	2.6
111.08092	4.3
113.05990	0.9
117.07021	8.8
119.08590	2.5
121.06502	5.7
121.10149	9.0
123.08094	1.1
123.11718	1.1
131.08562	11.3
133.08560	0.8
133.10129	13.2
135.08084	5.6
135.11694	38.4
136.12021	1.9
139.03891	0.7
139.07581	1.0
144.09372	0.9
147.11658	0.8
148.97343	0.9
149.09613	1.6
149.13254	17.2
149.97202	1.5
151.11188	1.2
153.09209	0.8
159.11693	14.8
165.07008	1.8
171.98962	0.7
175.83075	0.7
177.12743	15.2
190.34442	0.8
195.08040	1.2
195.11723	3.6
195.13849	16.6
195.15714	2.0
196.17004	1.1
196.66719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02386	0.9
53.03712	0.3
53.03950	5.4
55.01862	0.6
55.05504	0.8
57.03436	1.2
57.07076	0.5
64.43536	0.2
67.05511	0.4
69.04630	1.3
69.05029	0.4
69.07054	0.6
69.32699	0.2
70.19601	0.2
70.95859	0.5
71.04990	0.3
72.93796	0.2
77.03919	1.5
79.05495	4.4
81.03415	0.6
81.07067	1.0
83.08607	0.6
91.05479	1.2
93.07047	0.5
94.04173	0.3
95.04978	6.1
95.08592	0.3
97.06538	0.3
97.10154	0.3
105.03394	100.0
105.04541	3.2
106.03738	2.4
107.04984	0.4
107.08603	0.8
109.06516	2.3
110.09689	0.6
111.98443	0.4
115.05472	0.3
119.04961	0.3
123.04432	3.4
127.03900	0.3
128.06177	0.3
132.95836	0.7
133.02858	0.4
133.10167	0.6
135.11691	0.7
136.11998	0.2
137.05971	2.3
141.07043	0.6
150.96898	0.8
151.03909	0.5
153.06956	0.5
154.07761	0.5
155.08565	0.3
155.97447	0.5
161.09660	0.4
165.05510	0.6
167.07065	0.3
167.08519	0.2
173.98532	0.8
179.07057	3.3
179.08493	0.4
179.10619	1.1
197.08049	0.4
197.09641	1.4
197.11748	0.6
197.13374	0.4
198.18535	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03141	0.3
53.03934	0.8
55.01872	2.7
55.05501	0.9
57.03433	0.4
57.07075	0.7
61.45416	0.2
62.33342	0.2
65.03935	2.4
67.05499	2.2
67.53210	0.2
69.07069	1.1
70.06584	0.2
70.95854	0.8
71.05004	0.3
71.08627	0.3
72.93803	0.3
73.02918	19.0
74.03245	0.3
77.03949	0.2
79.05493	0.7
80.02688	0.3
81.03419	0.5
81.07044	0.8
83.08630	1.0
84.04507	0.5
85.02917	0.5
88.96930	0.2
89.03923	0.4
91.03968	0.3
91.05485	4.1
92.05830	0.3
92.53404	0.2
93.03410	0.9
93.07053	0.6
95.04974	1.6
95.08611	0.5
97.06535	0.5
97.10197	0.3
105.04544	0.4
107.04939	0.3
107.08592	0.3
108.02103	2.4
109.02827	0.3
109.06519	0.9
109.10167	0.4
110.03664	2.7
111.04424	1.6
111.98476	0.7
115.05475	1.3
119.04933	1.8
123.04456	0.4
125.05995	12.5
126.06298	0.3
128.06224	0.9
129.06992	1.0
132.95860	1.1
133.02866	0.5
135.72023	0.3
136.01570	0.7
137.05954	2.4
141.05473	2.6
141.07011	1.9
149.05968	2.7
150.96909	1.8
151.03912	100.0
151.04999	9.0
151.07428	2.8
152.04292	3.0
153.05779	0.3
153.06995	2.1
154.07782	1.6
155.04897	0.3
155.08578	0.6
155.97466	1.0
165.05545	0.5
167.07117	0.4
167.08537	0.5
169.06497	0.5
169.10150	0.6
173.98511	1.0
178.07805	0.6
179.07045	16.4
179.08403	0.8
180.07358	0.6
181.06554	0.5
182.05774	0.3
197.08101	4.9
197.09671	3.0
197.13202	0.3
198.18524	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02379	1.0
53.03951	4.0
55.01875	4.1
55.05513	6.7
55.24069	0.6
57.03437	4.4
57.07072	2.9
64.64590	0.6
65.03956	1.5
67.05513	3.4
69.03432	2.2
69.07075	3.9
70.06600	0.7
70.95871	4.0
71.05006	1.2
71.08646	1.0
72.08147	0.8
72.93800	1.8
73.02921	20.1
76.72883	0.6
77.03926	1.3
79.05508	7.3
81.03418	2.2
81.07078	4.7
83.04987	1.2
83.08633	4.2
84.04499	1.9
85.02919	0.9
85.06516	0.8
86.06052	1.0
86.09692	0.9
88.96896	0.8
89.03925	0.8
89.11028	0.7
91.05490	8.9
93.03407	1.7
93.07047	2.2
95.04983	6.2
95.08601	2.4
97.06550	1.5
97.10172	1.8
103.05495	0.9
105.03398	58.2
105.04542	2.2
105.07041	1.9
106.03721	1.2
107.04949	1.4
107.08586	3.7
108.02081	1.9
109.06526	3.1
109.10130	0.9
110.03656	1.5
111.04458	2.1
111.98458	3.6
115.05458	6.7
117.07038	0.8
119.04955	2.2
119.08646	0.7
123.04411	3.3
123.08121	1.1
125.06004	13.2
127.05462	0.9
128.06216	7.9
128.07080	0.7
129.07024	14.3
129.99507	1.8
131.04930	1.4
132.95842	6.2
133.02846	0.8
133.10152	2.8
135.11674	2.6
137.05974	5.2
137.09648	1.1
139.05519	0.6
141.05472	2.1
141.06995	17.7
142.07465	0.6
145.06488	0.7
147.04439	1.1
149.06026	2.5
150.96910	9.8
151.03918	100.0
151.04988	7.0
151.07442	3.6
152.04263	2.9
152.06169	3.1
153.05644	1.1
153.06996	12.1
154.07780	12.6
155.04941	1.2
155.06067	1.2
155.08543	4.6
155.97379	3.6
159.67776	0.6
161.09619	1.2
162.73227	0.6
165.05617	1.3
165.06958	1.2
167.07272	0.9
167.08549	3.7
169.06474	5.1
169.10155	5.0
173.98497	6.8
178.07779	4.4
179.05618	1.3
179.07053	21.3
179.08583	5.0
179.10616	4.1
181.06425	3.0
182.05843	0.8
182.07236	3.2
182.11011	0.7
197.06078	1.4
197.08081	4.7
197.09660	26.1
197.11713	2.6
197.13365	1.2
198.09937	1.6
198.18536	64.0
215.50409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.42311	0.3
51.02397	0.3
52.78370	0.3
53.03944	1.0
55.01874	3.5
55.05515	2.6
57.03437	1.9
57.07076	0.9
61.17067	0.3
65.03938	2.5
67.05517	2.6
67.56636	0.3
69.03432	0.7
69.07071	1.7
69.58509	1.1
70.95869	1.3
71.01340	0.3
71.04989	0.4
71.08636	0.4
72.08217	0.3
72.93770	0.7
73.02921	18.1
77.03942	0.4
79.05489	1.1
81.03437	0.7
81.07061	1.3
83.04974	0.4
83.08624	1.6
84.04493	0.4
89.03915	0.3
91.05487	4.5
93.03411	1.0
93.07041	0.6
95.04964	1.7
95.08610	0.9
97.06546	0.6
97.10197	0.8
99.04446	0.4
100.07584	0.3
103.05475	0.4
105.03394	0.9
105.04514	0.6
105.07051	0.6
107.05003	0.9
107.08614	1.2
108.02093	2.0
109.02902	0.4
109.06542	1.4
109.10163	0.4
110.03686	2.8
111.04459	2.1
111.08106	0.3
111.98481	1.2
112.01585	0.5
115.05460	1.9
115.44989	0.3
117.07020	0.3
119.04973	2.6
119.08643	0.3
123.04468	0.3
125.06001	11.6
128.06224	2.2
129.06122	0.5
129.07019	5.1
132.95862	2.1
133.10144	0.7
136.01514	0.5
136.05164	0.6
137.06004	2.4
141.05472	2.8
141.07008	5.4
147.04451	0.3
149.05991	2.1
149.07028	0.4
150.96933	2.9
151.03917	100.0
151.05008	9.7
151.07443	3.6
151.64784	0.3
152.04263	2.6
152.05247	0.4
152.06232	0.5
153.06985	3.8
154.07788	4.5
154.09018	0.3
155.06017	0.4
155.08582	1.6
155.97469	1.3
166.07684	0.3
167.08542	1.0
169.06499	1.1
169.10120	1.6
173.98502	1.9
178.07820	1.3
179.07063	16.4
179.08545	1.6
179.10553	0.6
180.07489	0.4
181.06494	0.9
182.07281	1.2
197.06039	0.6
197.08083	3.6
197.09665	7.0
197.11617	0.6
197.13252	0.4
198.18535	21.9
206.16174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03165	0.3
53.03940	0.7
55.01878	2.3
55.05515	1.6
57.07070	1.1
59.71336	0.2
65.03935	1.9
67.05514	1.8
69.07079	1.3
70.06582	0.2
70.76495	0.4
70.95863	1.3
71.04977	0.2
72.08153	0.5
72.93784	0.6
73.02921	19.3
77.03880	0.3
79.05484	0.8
81.07060	0.7
82.06516	0.3
83.08624	1.1
83.76679	0.2
84.11335	0.2
85.02879	0.3
86.06104	0.4
88.96926	0.3
91.05486	3.2
93.03415	1.1
93.07053	0.5
95.04963	1.6
95.08625	0.3
97.06557	0.3
97.10159	0.6
98.97598	0.5
99.62390	0.2
107.04967	0.5
107.08593	0.3
108.02090	2.2
109.02874	0.3
109.06526	1.2
109.10148	0.4
110.03671	2.3
111.04458	1.4
111.98504	0.6
112.01602	0.3
116.98642	0.4
119.04972	1.8
121.04088	0.3
121.10085	0.4
123.04475	0.3
125.05998	13.1
129.99518	0.7
132.95837	1.5
133.02768	0.3
136.01558	0.5
137.05995	2.1
137.06979	0.4
141.05487	2.4
147.04404	1.7
149.05969	2.6
150.96904	2.3
151.03918	100.0
151.05011	10.1
151.07434	3.4
152.04216	2.7
153.06879	0.3
154.90758	0.5
154.94142	0.3
155.97452	1.0
165.05457	0.3
172.95143	0.3
173.98515	1.6
179.07043	16.6
180.07355	0.7
182.05745	0.8
197.08058	5.2
198.08452	0.4
198.18538	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	197.0962
Annotation	trans-4-Hydroxystilbene
Peak:m/z	Relative Intensity
50.01606	1.2
53.03944	7.9
55.01864	8.2
55.05520	6.9
56.96550	1.6
57.03422	3.0
57.07066	4.6
59.78047	1.0
62.75478	1.1
65.03956	5.4
67.05506	5.5
69.03427	6.9
69.07070	6.6
70.06580	1.4
70.95855	6.5
71.04978	1.8
71.08633	1.3
72.93788	4.3
73.02923	1.9
77.03919	1.8
79.05495	12.0
81.03429	13.7
81.07084	5.4
83.05005	1.8
83.08611	4.8
84.04497	2.5
86.06056	2.0
86.09670	1.4
89.03908	1.4
91.05482	20.9
92.05029	1.1
93.07048	2.0
95.04977	10.3
95.08602	3.0
97.06542	1.6
97.10172	3.3
98.97619	1.4
103.05477	5.3
105.03397	89.3
105.04520	2.8
105.07020	4.2
106.03715	2.0
109.06513	4.4
111.98473	4.3
115.05457	41.3
117.07028	3.1
119.04929	2.5
123.04455	6.4
125.05986	1.5
126.04618	1.3
127.05474	2.7
128.06232	42.2
129.07013	88.1
129.99551	1.3
130.07359	2.8
131.04950	2.6
132.05750	1.7
132.95865	8.4
133.02884	1.5
133.10152	1.7
135.11629	1.5
137.05963	4.3
139.05414	2.4
140.06143	2.7
141.06992	75.9
142.07404	2.6
145.06497	4.3
147.04442	2.2
150.96902	15.0
151.03912	8.2
152.06165	16.9
153.07001	66.6
154.07782	55.4
155.04897	5.0
155.06068	7.0
155.08569	13.7
155.97452	4.0
156.05617	1.6
157.06519	3.2
161.09674	1.5
165.05696	1.3
165.06984	6.1
167.08545	11.8
168.05785	5.5
168.09280	2.2
169.06488	18.6
169.10130	21.1
173.98518	7.3
178.07767	18.3
179.07030	4.1
179.08543	18.6
179.10188	1.9
181.06477	14.5
182.07265	12.6
188.31494	1.2
197.09627	97.4
198.10020	3.8
198.18536	100.0
209.00069	1.4
213.97356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.6
53.03957	8.4
55.01882	6.7
55.05511	7.9
57.03437	1.9
57.07069	7.0
60.78866	1.3
63.02372	1.4
65.03938	8.8
67.01865	14.5
67.05510	13.8
69.03423	4.3
69.07063	10.1
69.72063	6.5
70.95856	2.5
71.01357	30.1
71.04990	3.2
71.08616	1.6
72.93789	2.2
74.03303	1.2
77.03921	8.1
79.05495	12.4
81.03433	2.9
81.07061	18.1
81.32171	1.6
82.07362	1.3
83.04987	2.9
83.08619	7.9
85.06531	5.0
85.10177	3.0
91.01848	15.3
91.05484	21.4
93.03413	11.1
93.07037	5.7
95.04976	13.1
95.08614	10.3
97.06527	5.8
97.10169	4.0
98.23360	2.2
101.03920	1.9
103.05479	16.3
105.03412	2.4
105.04521	4.1
105.07043	8.3
106.38118	1.3
107.04934	2.0
107.08594	7.4
109.06505	6.0
109.10163	15.7
111.08121	2.8
111.98477	1.5
115.05457	41.4
117.06967	1.6
119.04912	2.2
119.08573	3.5
121.10133	1.4
121.73595	1.3
123.08015	1.7
123.11657	2.7
125.09647	4.3
126.04664	10.4
127.05444	86.2
127.07509	2.5
128.06250	30.8
129.04539	1.9
129.07030	19.3
131.04922	12.1
132.95836	3.7
133.10155	5.0
135.11673	3.0
137.05974	5.2
140.06210	1.6
141.05403	2.1
141.06992	47.5
142.07509	1.4
143.08585	2.6
145.06468	8.2
150.96890	5.0
151.03883	2.1
151.11229	2.6
152.04939	2.2
152.06210	70.5
153.06995	100.0
154.07784	43.8
155.04915	21.4
155.06071	12.3
155.08582	17.1
155.10661	21.0
155.97473	3.7
156.05757	3.7
156.09344	3.1
157.06418	1.5
159.06393	1.5
161.09602	1.9
161.13277	2.2
165.05573	2.4
165.07030	5.9
167.08559	12.6
168.05690	2.4
169.06500	17.5
169.10123	14.4
173.98492	5.5
177.07030	2.4
178.07759	18.0
179.06003	1.6
179.08557	11.1
179.10638	4.3
179.14331	3.6
181.06473	14.6
182.07228	11.9
182.10875	12.5
195.08081	2.8
197.09633	96.7
197.11604	8.1
197.13298	17.3
198.09966	4.8
198.18535	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1171
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03932	2.7
55.01856	4.0
55.05301	1.1
55.05511	11.1
57.03430	1.6
57.07075	3.2
59.04998	2.5
62.18123	1.1
65.03925	2.3
67.05500	12.7
69.03418	3.7
69.07066	7.2
70.95865	1.6
71.04974	4.0
71.10059	1.1
71.30557	1.1
77.16734	1.3
79.05486	10.6
81.03410	1.6
81.07060	18.0
83.04964	4.3
83.08627	3.5
85.02888	1.5
85.06537	4.9
87.35426	1.4
91.05471	25.5
93.06476	1.6
93.07046	27.8
95.04981	8.9
95.08604	12.6
97.06512	3.8
97.10168	1.5
103.05440	2.9
105.07030	35.6
107.04937	2.7
107.08594	80.1
108.08871	1.8
109.06519	17.3
109.10150	8.4
111.08052	3.6
114.28113	1.5
115.05436	1.8
117.06992	2.2
119.04923	3.6
119.06107	1.8
119.08582	11.2
121.06493	5.1
121.10128	3.8
123.04413	4.1
123.08080	3.0
123.11689	5.1
128.06207	1.7
131.08539	2.4
132.95842	2.1
133.02802	2.1
133.10126	85.4
134.10440	3.1
135.08041	2.5
135.11691	58.0
136.12033	2.3
137.05980	14.0
137.09612	5.5
141.06969	5.8
143.08563	3.0
146.07278	1.4
149.32793	1.4
150.96869	3.1
151.03818	2.0
151.11174	8.6
153.06976	3.6
154.07724	4.3
155.08536	4.1
161.09625	32.3
165.05446	4.2
167.08556	3.9
169.06409	1.3
169.10141	6.2
173.98465	2.0
179.10672	100.0
180.10983	3.1
182.07307	2.1
182.10880	4.8
192.70596	1.1
192.88809	1.2
197.08055	2.1
197.09731	9.8
197.11707	77.8
197.13280	8.6
197.15083	2.6
198.12003	2.6
198.18526	46.1
216.20392	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02370	0.9
53.03949	6.5
55.01869	2.4
55.05514	5.5
57.03427	3.1
57.07071	2.3
59.04992	2.7
67.05505	8.0
67.33521	0.8
69.03426	2.0
69.07058	3.3
69.25294	5.1
69.25703	1.5
70.95860	1.5
71.04985	2.0
77.03909	2.3
79.05070	0.8
79.05496	12.4
81.03393	1.5
81.07063	9.0
83.04987	3.1
83.08611	1.6
85.06535	1.9
91.05482	19.0
93.07047	25.4
95.04974	16.8
95.08609	6.2
97.06535	1.8
97.10180	1.4
99.04465	1.0
103.05532	0.8
105.03396	100.0
105.04522	4.1
105.07031	29.3
106.03729	2.0
107.08597	65.4
108.08910	1.7
109.06501	7.8
109.10165	6.7
111.08081	1.7
111.98458	0.8
115.05463	1.1
117.07015	0.8
118.07764	1.1
119.04958	2.5
119.06040	1.2
119.08607	7.8
121.06548	5.7
121.10159	2.0
123.04453	7.5
123.08091	1.0
123.11667	3.4
125.05986	3.0
125.09634	1.5
128.06212	1.1
129.07037	0.9
131.08566	3.4
132.95821	0.8
133.02899	0.8
133.06487	1.6
133.10132	70.2
134.10393	1.9
135.08049	2.4
135.11697	52.2
136.12032	1.6
137.06000	6.4
137.08633	0.8
137.09576	4.6
141.06975	1.9
143.08586	2.1
146.07301	1.6
150.96896	2.4
151.03899	2.7
151.11183	7.2
153.07043	1.0
154.07742	1.9
155.97403	1.5
161.09621	34.1
161.13254	1.7
162.09917	1.4
167.07088	1.0
167.08543	1.0
169.10100	2.0
179.07108	3.2
179.10675	94.4
180.11000	2.7
182.11026	1.2
197.06261	1.1
197.09760	3.3
197.11725	56.1
198.12056	1.6
198.18538	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.75039	0.5
53.03951	1.3
55.01875	2.1
55.05511	4.0
56.24769	0.5
56.89463	0.5
57.03446	0.7
57.07078	1.0
61.02920	1.4
62.93673	0.5
65.03932	0.9
67.05507	4.2
69.03436	2.5
69.07068	2.4
69.49353	2.7
71.04972	0.8
73.02924	1.6
77.03915	0.5
79.05495	8.8
79.05914	1.0
81.03411	0.6
81.07058	8.9
83.04990	1.0
83.08596	1.1
84.04499	0.8
85.06557	0.7
87.04500	1.0
91.05475	15.0
93.07043	18.8
95.04962	2.8
95.08606	5.7
96.05863	0.6
97.06525	2.6
105.03392	1.3
105.07029	29.2
106.07346	0.8
107.08591	100.0
108.08927	2.5
109.06517	4.9
109.10155	6.1
110.18158	0.5
111.08067	1.2
111.98479	0.5
115.05474	1.0
117.07018	1.3
119.04937	2.2
119.08578	16.7
119.09445	0.8
121.06508	2.3
121.10145	15.9
123.04458	0.9
123.08067	2.5
123.11716	3.9
125.09643	1.1
128.06216	1.4
131.08531	3.0
132.05719	0.6
132.95789	0.6
133.02792	1.0
133.06505	1.0
133.10126	59.9
134.10469	1.5
135.08029	1.2
135.11684	5.1
137.05966	5.2
137.09598	3.3
139.07536	3.1
141.07021	1.1
143.08530	2.8
146.07254	1.2
149.09608	9.6
150.96895	1.1
151.03903	0.8
151.07555	2.9
151.11180	18.6
153.06989	0.6
154.07642	0.8
155.08574	0.8
161.09627	18.0
165.05539	1.0
167.08534	1.1
167.10681	24.0
168.11018	0.8
169.10135	1.8
173.98523	0.6
179.10664	41.8
180.11078	1.0
182.10944	0.5
197.09837	2.3
197.11719	52.1
197.13058	2.5
198.12093	1.5
198.18536	13.3
201.97479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03950	2.2
55.01878	2.1
55.05506	7.8
57.07077	4.6
59.04996	3.2
62.64422	0.7
65.03941	2.7
67.05506	13.7
68.99790	1.0
69.03416	4.2
69.07065	7.8
69.38036	3.6
69.38441	1.8
70.95869	2.0
71.04986	1.9
79.05485	9.7
81.03419	1.1
81.07059	24.2
83.04976	3.2
83.08616	3.3
83.40749	1.0
85.06552	3.0
91.05482	17.3
93.03402	1.6
93.07043	17.2
95.04967	33.0
95.08601	17.2
97.06541	3.6
97.10161	1.2
99.08079	1.0
103.05484	3.6
105.03400	2.9
105.04527	1.0
105.07030	20.4
107.04976	2.0
107.08595	44.1
108.08915	0.9
109.06520	16.5
109.10158	22.0
111.04435	3.2
111.08073	1.7
111.98527	1.3
115.05428	1.4
119.04939	2.4
119.06021	1.1
119.08554	5.9
121.06507	4.2
121.10138	3.0
123.04425	3.8
123.08063	5.1
123.11709	27.6
125.06025	1.6
128.06256	2.4
129.07013	1.2
131.04909	2.3
132.95856	2.1
133.02859	3.0
133.10126	41.7
134.10422	1.1
135.04346	1.0
135.08083	1.5
135.11691	29.5
137.05971	13.4
137.09610	22.8
137.10672	1.0
141.06993	6.5
143.08577	1.5
146.07254	1.4
147.21791	0.9
150.96875	2.9
150.97945	1.0
151.03914	2.2
151.07524	1.6
151.11180	16.8
152.06102	1.0
153.06998	2.9
154.06236	0.8
154.07744	5.8
155.08531	4.1
155.97472	2.4
156.09285	1.0
161.09621	21.0
161.13249	1.0
165.05481	4.1
167.08551	3.6
168.09215	1.7
169.06546	1.4
169.10086	6.1
169.12311	1.0
173.98514	1.3
178.07742	2.3
179.10667	100.0
180.11015	3.5
181.06346	1.7
181.43129	1.2
182.07321	3.6
182.10965	4.5
197.05922	1.6
197.08058	1.5
197.09653	16.2
197.11742	33.1
197.13312	7.0
197.15059	1.4
198.12151	0.9
198.18527	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.02384	0.6
53.03952	1.7
53.67113	0.6
55.01870	1.2
55.05513	5.2
57.07076	3.6
59.05004	3.8
65.03955	1.2
66.15521	0.6
67.05513	6.2
69.03443	2.4
69.07071	4.2
69.08575	1.3
69.08970	5.5
69.23390	0.6
70.95890	0.7
71.05009	1.1
71.08651	0.8
72.93793	0.8
79.05502	7.2
81.07061	11.5
83.04980	1.9
83.08631	1.6
85.06561	2.0
91.05485	22.9
93.07050	24.3
95.04961	8.0
95.08617	5.7
97.06522	0.7
97.10171	0.7
99.04526	0.9
105.03419	1.7
105.04500	0.9
105.07037	33.5
107.04948	0.8
107.08601	66.7
108.08959	1.5
109.06534	7.6
109.10164	8.5
111.08075	1.4
111.98518	0.9
115.05468	0.7
117.07024	1.3
119.04938	2.2
119.06055	1.0
119.08582	8.5
121.06523	6.3
121.10139	1.6
123.04430	3.6
123.08057	0.9
123.11713	4.0
125.06007	0.9
128.06259	0.9
129.06984	0.7
131.08572	2.4
132.95871	1.1
133.02896	1.1
133.10135	68.5
134.10510	1.4
135.08076	1.6
135.11699	54.8
136.12103	1.0
137.06007	6.5
137.09621	4.4
141.07034	1.6
143.08539	2.0
146.07289	1.4
150.96881	1.5
151.11206	6.0
153.06894	0.7
153.11259	0.6
155.08545	2.1
155.97440	0.7
161.09628	33.8
162.09955	1.3
165.05508	1.1
167.08603	0.9
169.10104	2.5
170.15428	1.0
173.98546	0.9
179.10678	100.0
180.11064	3.0
182.10921	2.0
197.09845	2.5
197.11734	66.2
197.13222	3.7
198.12088	1.3
198.18541	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03951	19.3
55.01860	5.4
55.05510	15.2
57.06832	2.3
57.07080	28.3
65.03920	2.2
67.05502	23.3
69.03414	5.9
69.07077	12.7
69.14219	1.9
69.14618	12.9
70.95862	2.1
71.01360	83.2
71.04993	8.7
71.08624	1.7
79.05496	15.5
81.03426	23.0
81.07059	37.5
83.04978	4.5
83.08632	11.6
85.06541	13.0
85.10184	8.0
91.05486	24.4
92.53482	2.0
93.07039	13.8
95.04988	14.2
95.08620	15.6
97.06539	11.7
97.10119	1.7
103.05482	1.7
105.07033	20.8
105.69551	1.4
107.07935	2.6
107.08597	22.4
108.05742	2.9
109.06508	12.7
109.10168	28.6
111.08076	7.4
111.98481	3.6
113.05971	3.7
113.09601	1.8
115.05436	2.4
117.07011	1.6
119.04881	1.8
119.08585	3.7
121.06521	1.7
121.10088	3.1
123.04417	5.0
123.08061	3.4
123.11698	5.1
125.05997	15.1
125.09623	12.5
127.11189	1.8
128.06213	3.4
132.95786	4.2
133.10139	18.5
135.09923	1.9
136.05182	2.2
137.06003	8.1
137.09584	3.7
139.07538	4.2
139.11160	2.7
141.04366	2.0
141.05470	41.3
141.07005	5.5
143.08589	1.7
150.96883	5.4
151.03946	1.8
151.11165	18.7
153.06978	2.2
154.07750	2.9
155.08739	7.8
155.10678	64.1
161.09644	6.7
167.08554	5.8
169.10120	7.4
173.98465	3.5
179.08919	2.5
179.10683	47.0
182.07210	2.4
182.10884	8.3
187.32661	1.8
197.09686	8.6
197.11714	100.0
197.13286	14.1
198.16745	3.7
198.18550	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78465	0.5
52.61113	0.5
55.01871	1.5
55.05274	0.6
55.05510	6.5
57.07076	3.6
57.37818	0.4
60.08166	3.1
61.02915	0.8
68.05016	0.9
69.03428	1.3
69.06779	0.5
69.07073	5.4
69.23375	2.0
69.23805	1.7
70.06573	1.7
71.08630	1.4
72.04515	0.7
72.08151	1.0
73.02930	0.6
74.09732	1.0
78.34377	0.6
79.05476	1.6
81.03379	0.6
81.07043	1.5
82.84859	0.5
83.04970	0.7
83.08619	4.9
85.02901	5.2
86.06065	1.3
93.07053	1.6
95.06100	9.8
95.08606	1.4
96.08118	0.6
97.02886	1.5
97.06542	0.9
97.10200	2.4
98.22607	1.2
100.07632	1.6
100.11273	1.1
104.22591	0.5
107.08630	1.0
110.07117	0.5
111.04419	0.6
111.08073	0.6
114.09177	0.6
119.01902	0.7
121.10155	0.5
127.03899	1.3
138.09097	0.8
140.04663	0.9
145.04956	1.7
150.21371	0.5
152.07069	1.0
154.13387	2.3
156.97447	1.0
163.08664	0.6
174.98563	1.1
182.08153	1.2
184.44267	0.6
198.18527	100.0
199.18843	2.1
210.09447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49551	0.2
55.04335	0.2
55.05516	0.3
56.32376	0.2
56.96548	0.9
58.99854	0.2
61.53365	0.2
69.64308	0.9
74.09732	0.2
75.47796	0.2
93.36084	0.2
98.97590	5.4
101.00863	2.1
102.94383	0.5
116.98624	2.7
119.01913	3.5
119.02689	0.3
120.95361	1.1
134.99669	1.0
136.93105	0.2
137.02983	0.5
138.96404	13.3
139.96480	0.7
156.97476	100.0
157.97534	3.9
158.01221	0.2
158.98053	0.3
163.08585	0.2
172.04520	0.3
172.95288	0.4
174.98535	96.8
175.98618	4.5
176.02298	0.7
176.98978	0.6
177.00966	0.3
179.99065	1.2
180.97472	1.1
180.99173	0.6
181.98813	0.2
193.94223	0.2
198.00174	0.9
198.18538	3.7
198.98540	15.9
199.00217	1.5
199.18909	0.8
199.98581	0.5
214.96399	0.3
216.96260	1.2
216.99583	40.2
217.99623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0602
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
50.01593	0.3
51.02378	0.9
53.03952	5.1
54.38826	0.3
55.01871	1.2
55.05510	0.7
56.05816	0.3
56.96561	0.3
57.93559	0.3
65.03944	3.7
67.05510	3.3
69.07070	0.5
70.76900	0.4
72.08161	0.3
72.51632	0.3
74.09718	1.6
74.47096	0.3
77.03932	0.8
79.05483	0.5
81.03423	1.0
82.04226	0.4
83.08638	0.4
92.02648	0.4
93.03413	0.9
93.07013	0.3
95.04974	26.6
96.05312	0.6
96.83002	0.3
97.02885	2.0
98.97578	0.9
100.07607	0.8
105.04523	2.8
107.01271	0.4
108.02168	0.4
109.07579	0.3
110.03671	2.0
111.04449	2.7
116.97235	2.3
116.98579	0.5
120.02093	0.5
121.02866	2.1
121.07618	0.5
123.04439	12.1
125.02357	15.9
126.02715	0.5
131.99529	0.6
133.07568	0.3
134.95901	0.6
134.99586	0.3
135.09157	0.6
137.05968	0.4
138.03114	0.3
139.03932	1.1
140.04689	100.0
141.05037	2.1
144.95578	0.3
149.02289	0.3
149.03429	0.3
151.08710	0.3
152.96947	0.5
153.05455	0.4
155.07036	12.6
156.81610	0.3
163.08595	0.6
166.02626	0.4
167.03334	1.3
173.08095	1.0
175.98561	1.1
181.04958	4.0
181.06442	0.3
181.09779	0.4
182.08157	1.2
184.03610	0.3
195.22403	0.3
199.06046	0.9
199.10866	0.6
199.18893	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	199.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.8
53.03942	4.6
54.40784	0.7
55.01873	4.5
55.05510	5.0
56.05807	0.9
57.03387	0.9
58.06562	0.6
61.02911	0.6
65.03902	2.2
67.05504	7.0
69.03432	3.4
69.07071	4.6
70.06568	0.7
70.07628	1.2
70.07992	1.3
71.04979	1.3
72.08132	1.3
74.09715	6.7
77.03896	0.7
79.05493	26.8
80.05790	1.0
81.03381	1.4
81.07059	8.6
83.04951	2.3
83.08578	2.1
84.08906	0.8
86.09706	10.6
91.05479	24.9
93.07043	43.4
94.07352	0.8
95.04971	11.3
95.08570	2.5
97.06522	4.5
97.63892	0.6
98.03013	0.6
98.22668	0.7
98.97545	2.2
100.07578	2.1
100.11247	0.9
103.05470	4.7
105.03387	1.3
105.04483	2.4
105.07038	3.4
107.01260	0.7
107.04947	4.3
107.08541	1.0
109.06530	2.8
109.07595	1.0
109.10139	0.8
111.04441	6.1
111.08073	3.9
112.07570	0.6
115.05424	1.8
116.97234	5.5
116.98582	1.2
119.08501	0.6
121.06508	53.4
121.07534	3.1
121.10123	0.7
122.06800	1.5
122.52086	0.6
123.04397	1.4
123.08064	16.3
125.05947	1.3
125.36882	0.5
128.06204	5.1
129.07025	4.3
131.08603	0.8
131.99557	1.0
134.99634	0.6
135.08113	1.0
135.09135	2.2
136.07559	1.3
139.07539	32.6
140.04652	0.9
141.06990	2.9
142.07762	2.4
143.08562	4.8
145.06459	0.7
149.04881	1.2
149.05975	14.0
151.08678	0.8
152.96922	1.7
153.06999	1.9
153.09010	0.7
155.07156	0.8
155.08557	1.8
156.09344	4.1
157.06485	2.6
157.10126	3.2
158.07298	1.1
163.08664	2.5
165.07036	1.2
166.06248	2.1
166.07753	2.2
167.07040	100.0
168.07388	2.5
169.06493	0.9
170.07225	0.7
171.07988	3.8
171.11722	5.1
175.98538	4.5
181.08591	7.7
181.09984	3.4
182.08138	2.1
184.08876	2.3
198.99249	2.4
199.07556	2.5
199.11189	20.1
199.14952	2.8
199.18887	28.4
200.09300	0.8
200.16505	3.2
200.19333	0.6
211.46605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0966
Annotation	Suspenolic acid
Peak:m/z	Relative Intensity
51.02348	0.6
53.03944	4.3
55.01873	5.8
55.05515	4.3
57.03395	0.6
57.93528	0.7
62.97873	0.6
65.03916	1.5
67.05503	4.9
69.03425	3.0
69.07076	4.4
70.06565	0.6
70.07389	0.7
70.08829	1.9
71.04963	1.1
72.04503	0.9
72.08124	0.6
74.09721	5.6
77.03922	1.0
79.05497	24.1
80.05797	0.7
81.03393	1.3
81.07061	7.5
83.04954	1.6
83.08589	1.6
84.08957	0.6
86.09215	0.7
86.09705	8.2
91.05484	25.0
92.05792	0.6
93.07043	42.8
95.04379	0.5
95.04973	11.0
95.08593	2.2
97.02875	0.7
97.06528	4.6
98.97549	1.9
99.04435	0.9
100.07594	2.3
103.05478	4.9
105.03371	1.6
105.04508	1.9
105.07037	3.0
107.04959	2.9
107.08558	0.9
109.06474	2.0
109.07650	1.2
111.04438	4.9
111.08086	4.0
113.06013	0.6
115.05430	1.3
116.97226	5.2
116.98576	1.9
117.06998	1.1
121.06508	49.1
122.06826	1.1
123.04449	1.1
123.08069	15.7
125.05968	1.3
128.06224	2.9
129.07027	4.2
131.99539	1.1
134.99603	0.9
135.09142	1.7
137.05956	0.9
139.07542	33.0
140.04697	1.1
140.07930	0.9
141.06982	2.9
142.07750	2.1
143.08559	5.3
145.06514	0.6
149.05984	13.8
151.03899	0.6
152.96921	1.7
153.06969	1.4
155.07065	0.6
155.08546	1.5
156.09303	3.7
157.06470	2.0
157.10143	2.6
158.07184	1.1
163.08681	1.7
165.06978	1.2
166.06279	2.0
166.07828	1.6
167.07040	100.0
168.07382	3.3
169.06430	0.8
170.07341	0.8
171.08058	3.2
171.11745	4.7
175.98502	3.8
176.02266	0.6
181.08595	7.9
181.09990	2.5
182.08147	2.0
184.08809	2.1
185.08202	0.6
198.99185	1.4
199.07579	2.1
199.11166	17.3
199.14864	3.0
199.18890	27.8
200.16499	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03931	2.3
55.01867	5.6
55.05512	10.2
56.05830	0.9
57.03425	1.3
57.07074	1.5
58.07389	0.7
64.71348	0.7
65.03932	2.0
67.05496	5.4
67.84707	0.7
69.03425	4.2
69.07069	9.0
71.04996	10.4
71.31268	1.5
72.04530	1.6
74.09724	7.0
79.05489	11.6
80.28433	0.8
81.03412	3.1
81.07053	8.1
81.16776	0.9
83.04971	2.7
83.08606	2.9
84.08942	1.0
85.02943	1.0
85.06538	3.4
86.09704	5.6
91.05482	15.4
93.03406	1.6
93.07050	9.1
95.04967	3.4
95.08600	3.9
97.06507	3.0
97.10156	1.2
98.97580	2.1
99.04452	0.9
99.08101	1.1
100.07601	1.4
103.05469	2.9
105.03395	2.6
105.07023	10.2
107.04944	3.1
107.08594	5.7
109.07651	1.0
109.10159	2.5
111.04438	5.3
111.08064	2.2
111.11694	1.5
112.61554	0.7
115.05455	9.7
116.97213	3.6
116.98605	1.0
117.06252	1.2
117.06992	7.0
119.04890	1.1
119.08604	1.6
120.77370	0.8
121.06490	2.4
121.07609	1.9
121.10148	5.2
123.11647	1.1
125.06052	0.8
125.09628	1.3
127.05408	1.0
128.05255	1.4
128.06219	40.9
129.07005	52.8
130.07747	2.8
131.04956	2.0
131.08562	3.2
133.06491	3.8
133.07516	1.0
134.99648	1.0
135.08067	1.1
135.09138	2.0
135.11691	2.4
139.11172	2.9
140.04652	1.1
141.06975	13.3
142.07779	12.4
143.04939	1.4
143.08563	31.0
144.05682	1.2
144.08998	0.9
145.06468	4.4
145.10074	2.2
152.06210	2.3
153.06982	10.6
153.08974	1.0
153.12738	1.3
154.07745	3.1
155.06059	4.2
155.08566	17.2
156.09319	8.7
157.06493	26.0
157.10107	14.7
158.07285	6.8
163.08699	1.7
163.11166	1.0
163.14766	1.3
165.06996	11.5
166.06360	1.3
166.07751	12.7
167.08430	0.8
169.06500	3.2
169.10133	3.5
170.07219	5.6
170.10948	2.0
171.08044	18.4
171.11697	15.3
175.98557	2.8
179.08481	1.0
181.10092	9.4
181.12260	1.5
182.08191	1.4
184.08809	6.9
184.12480	1.8
199.07262	3.7
199.11177	100.0
199.14891	9.1
199.18855	29.7
200.11523	3.2
204.52200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
50.01580	1.0
51.02374	1.0
53.03951	4.7
55.01865	4.0
55.05502	2.7
56.47432	0.9
58.12848	0.9
65.03943	5.4
67.05499	4.4
69.03432	12.4
70.53059	1.6
71.04962	1.1
77.03906	1.2
79.05490	9.9
91.04963	1.5
91.05482	17.0
93.03412	14.3
93.07034	1.5
95.04990	6.0
103.05484	10.5
105.04522	1.4
105.07041	7.1
107.04947	2.1
115.05459	25.5
116.06233	2.9
117.07015	5.1
121.06525	2.0
127.05431	6.4
128.06226	100.0
129.07016	67.2
130.07265	0.9
130.07838	1.6
130.11584	0.9
131.04935	1.8
131.08513	2.3
133.06508	1.6
138.80183	0.9
141.06995	23.3
142.07785	17.8
143.08574	20.9
144.05717	1.3
145.06480	10.0
151.35629	1.0
152.06218	5.3
153.06998	24.1
154.07756	11.2
155.06073	15.3
155.08557	25.9
156.09375	9.7
157.06499	19.9
157.10141	13.6
158.07275	7.5
159.07959	1.1
165.06995	16.8
166.07796	11.8
167.08377	1.0
169.06458	6.2
170.07292	4.6
171.08055	10.5
171.11688	7.2
179.08525	1.0
181.10098	7.9
183.08069	2.6
184.08864	9.7
199.11183	81.0
200.11537	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95279	0.8
51.02378	2.8
53.03955	6.6
55.01875	4.7
55.05506	2.2
57.03410	0.9
59.25585	0.7
63.20608	0.9
65.03941	4.8
67.05506	5.9
69.03437	6.4
69.19050	2.1
69.19460	4.6
77.03940	2.3
78.04718	0.8
79.05493	10.1
81.03388	0.8
83.04948	0.9
89.03919	1.0
91.05476	15.9
93.03406	10.5
93.07053	2.0
95.04979	6.7
101.78967	0.7
103.05461	10.4
105.04518	2.1
105.07056	7.7
107.04958	1.1
115.04656	1.7
115.05453	25.4
116.06267	1.6
117.07025	4.0
121.06554	1.0
127.05423	5.9
128.06226	100.0
129.07014	64.9
129.07701	0.9
129.08014	1.5
130.07674	1.6
131.04912	1.4
131.08572	1.8
133.06476	3.7
141.06989	19.3
142.07794	11.4
143.04915	1.2
143.08571	13.3
145.06470	11.1
152.06223	6.0
153.05730	1.3
153.06987	27.2
154.07787	11.5
155.06049	17.4
155.08562	26.5
156.09390	6.6
157.06502	16.5
157.10129	9.6
158.07263	4.8
159.08005	1.0
165.06987	12.1
165.28586	0.9
166.07780	7.6
169.06459	6.6
169.10109	0.9
170.07281	2.1
171.08049	7.0
171.11678	5.9
179.08630	1.3
181.10083	6.3
183.08026	1.6
184.08826	5.2
199.11179	55.5
200.11543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1119
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
53.03942	1.2
55.01866	1.8
55.05505	2.4
56.72139	0.6
64.88958	0.6
65.03931	1.7
67.05493	2.5
67.69940	0.6
69.03431	1.2
70.58247	1.4
71.04977	1.3
71.97772	0.7
74.09711	2.5
75.92917	0.5
77.03923	0.7
79.05495	3.9
79.96043	0.7
81.03374	0.9
83.04978	1.3
91.05486	28.3
93.07034	1.8
95.04974	16.9
98.97601	1.4
103.05452	1.3
105.07038	2.8
107.04977	1.0
115.05463	12.4
116.06241	1.9
116.97221	1.2
117.07029	24.2
119.04926	0.8
121.06505	3.3
128.06227	12.3
129.07011	25.6
130.07814	0.6
131.08546	1.9
133.06502	1.4
141.06999	17.2
142.07797	14.0
143.08571	11.5
145.06516	2.9
152.06174	0.7
152.97041	0.6
153.06992	6.0
154.07722	1.7
155.06004	1.3
155.08578	14.6
156.09366	12.4
157.06479	2.1
157.10139	21.5
158.07266	9.7
158.10471	0.6
165.07016	16.0
166.07803	21.4
167.08261	0.7
169.06482	3.9
170.07301	1.2
171.08060	8.9
171.11684	5.1
175.98512	0.7
179.08585	1.3
181.10117	14.3
183.08090	2.1
184.08824	7.7
197.09619	1.4
199.11191	100.0
199.18895	12.8
200.11514	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	199.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01869	1.5
55.05516	3.3
57.07055	1.0
65.03928	0.7
67.05487	2.2
69.03404	0.7
69.05495	0.6
69.07043	0.9
70.56232	1.7
70.56608	0.9
71.04961	1.2
72.04531	1.1
74.09714	6.9
79.05515	3.4
83.04967	2.1
83.08619	1.6
91.05483	25.6
92.97958	0.7
93.07043	1.7
95.04366	0.8
95.04968	13.0
96.49820	0.6
98.97566	2.8
100.07619	1.7
103.05467	1.5
103.45065	0.6
105.07026	2.5
107.04951	1.4
111.04433	1.0
115.05470	12.9
116.06280	0.9
116.97215	3.7
116.98582	0.9
117.07031	19.1
121.06508	3.1
121.07605	0.7
128.06233	12.8
129.07013	22.0
131.08620	1.4
141.06990	15.4
142.07794	11.4
143.08572	11.8
145.06468	2.5
152.06206	1.2
153.07042	4.5
154.07741	2.1
155.06024	1.2
155.08566	14.8
156.09361	9.5
157.06531	3.6
157.08884	1.3
157.10126	17.8
158.07268	7.4
159.07956	0.9
165.07031	13.6
166.07782	17.0
169.06502	2.6
169.10129	0.8
170.07353	1.0
171.08058	8.6
171.11681	5.4
172.08261	0.9
175.61130	0.8
175.98512	2.6
175.99910	0.7
177.90845	0.8
179.08575	1.9
181.10121	14.2
183.08037	1.0
184.08841	8.4
197.09615	1.5
199.11183	100.0
199.14938	2.3
199.18895	31.8
200.11520	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	199.1118
Annotation	3-Hydroxybibenzyl
Peak:m/z	Relative Intensity
52.07112	1.2
53.03942	4.1
55.01865	3.5
55.05513	8.4
57.07075	1.7
65.03943	6.7
67.05488	6.5
69.03434	13.6
69.07069	10.9
69.28223	5.8
69.28635	2.8
71.04973	2.4
74.09711	3.4
79.05489	12.4
81.03413	1.2
81.07045	4.3
83.08598	1.3
86.09720	2.8
91.05477	17.7
92.05800	2.2
93.03414	16.6
93.07034	7.9
95.04960	4.4
95.08608	1.4
97.06538	2.4
98.23313	2.4
103.05473	6.6
105.02162	1.1
105.03405	1.7
105.04502	1.7
105.07030	12.8
107.04951	1.5
107.08588	2.7
111.04420	1.9
111.11723	1.4
115.05453	17.8
116.06257	1.8
116.97272	2.6
117.07048	5.3
119.04936	1.1
119.08577	3.2
121.06486	4.6
121.10150	3.5
127.05424	4.3
128.06227	78.7
129.07016	57.8
130.07773	2.3
131.04961	2.2
131.08534	3.8
133.06473	4.6
135.78633	1.0
139.07541	1.4
139.11182	3.4
141.06989	20.3
142.07779	19.5
143.08572	34.5
145.06473	10.1
145.10182	1.5
152.06242	5.4
153.06995	20.0
154.07803	9.2
155.06013	9.9
155.08546	31.1
156.09328	12.2
157.06496	16.5
157.10115	33.2
158.07256	9.0
165.06999	15.1
166.07788	16.0
169.06482	6.0
169.10149	2.3
170.07240	4.6
170.10861	1.7
171.08035	16.1
171.11707	16.9
181.10097	9.5
183.08049	3.5
184.05225	1.8
184.08838	9.0
184.12442	3.4
199.07515	4.0
199.11182	100.0
199.14848	17.8
199.18866	15.7
200.11559	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	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05513	3.7
56.96298	3.2
56.96568	50.2
57.03450	2.2
61.02910	1.9
68.98289	1.7
69.03430	6.4
69.07085	2.6
69.45084	1.6
69.67972	3.0
69.68372	6.8
70.06585	3.9
70.13287	2.3
70.98109	2.9
71.95273	2.7
72.08158	14.6
73.02934	9.1
80.30754	1.7
81.03409	2.2
82.06605	2.1
83.06087	1.8
84.04508	3.9
84.08138	8.0
84.96037	5.3
85.02916	9.8
86.09720	13.0
86.99295	2.0
97.02900	8.2
98.97591	100.0
100.02479	7.4
101.00880	11.8
102.00942	2.3
110.01341	3.1
110.97582	7.6
113.00878	4.1
114.06622	2.8
116.98631	60.3
118.03518	4.8
119.01918	36.3
120.02003	4.4
125.01795	2.7
128.98628	9.1
129.10266	8.8
130.93309	2.4
131.01906	13.8
132.52518	2.2
133.01595	2.2
133.03470	5.8
134.99675	28.2
135.85133	1.7
136.07619	2.0
137.02995	9.1
137.03893	1.6
137.06001	4.3
140.00195	3.8
140.52281	3.2
142.03473	1.9
143.00156	2.5
144.99846	2.1
145.03519	1.8
146.02301	2.6
146.99667	3.0
149.02914	4.6
152.02342	2.4
153.00667	3.4
154.03494	6.4
154.98561	1.8
155.00073	1.9
158.01277	5.1
158.99646	10.0
160.04561	3.0
161.02925	5.3
170.99681	2.7
172.04523	8.3
172.08154	2.6
173.02829	2.1
176.00977	3.5
176.02379	4.0
177.00784	12.1
177.02490	4.8
177.04004	1.8
182.03122	2.6
188.05916	7.9
189.00754	2.4
190.05618	3.6
191.03998	1.9
195.01830	3.6
197.06461	10.7
197.56680	2.1
199.18852	7.5
200.04198	3.8
200.10469	3.6
200.14073	3.2
200.17456	2.2
201.00830	2.1
201.02470	6.3
206.06987	9.3
212.86812	2.0
218.05104	4.7
218.08867	2.3
219.01842	6.7
219.03661	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	201.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.1
53.03944	1.3
55.01872	1.6
55.05508	7.3
57.07068	2.9
65.03931	1.4
67.01857	2.1
67.05506	8.3
69.03425	7.0
69.06062	8.0
69.07072	7.1
71.04992	38.4
71.08628	1.7
75.55695	0.8
77.03934	1.1
79.05492	10.7
79.83688	0.8
80.05775	0.7
81.07062	14.3
81.80360	0.7
83.02304	0.7
83.08611	0.9
85.06545	1.7
91.05480	41.9
93.07047	15.2
95.04956	3.0
95.08044	1.1
95.08606	13.7
97.06530	1.7
103.05477	2.8
105.03418	0.9
105.07030	30.4
107.04922	1.2
107.08589	15.4
109.06494	1.7
109.10141	3.9
113.02323	0.8
115.05452	11.0
116.06277	6.1
117.07021	36.9
119.08583	17.3
121.06482	2.1
121.10146	5.4
128.06204	8.6
129.07007	21.9
130.07791	10.5
131.04903	2.5
131.08569	71.9
132.08870	1.9
133.10136	10.0
135.08026	1.9
139.78891	0.9
141.06985	11.4
142.07796	12.6
143.08569	16.4
144.05719	2.9
144.09370	7.4
145.06470	9.1
145.10123	92.4
146.10686	2.4
147.08076	2.1
153.06999	7.7
154.07814	1.9
155.08554	18.8
156.09148	0.9
157.06488	1.4
157.10121	20.0
158.07233	2.4
158.10893	8.0
159.08069	24.2
159.11690	63.0
160.08794	1.8
160.12079	2.7
167.08559	1.6
168.09354	7.7
169.07622	1.1
171.07997	1.9
171.11662	4.9
172.08870	3.2
172.12447	2.8
173.05972	1.4
173.09627	14.9
173.13260	17.0
183.11646	6.8
185.09593	0.9
186.10381	4.1
186.14053	3.0
201.05582	2.2
201.12746	100.0
201.16382	74.8
202.13147	3.9
202.16737	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	201.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.9
53.03948	2.0
55.01876	3.4
55.05507	1.6
65.03609	1.3
65.03944	19.4
67.05502	3.0
69.03436	3.2
69.07066	1.0
69.35500	1.4
69.35912	1.6
71.05000	6.9
79.05497	11.8
81.07063	2.5
89.16959	0.7
91.04907	0.6
91.05484	16.0
93.03412	100.0
93.07051	3.5
94.03739	2.1
95.04965	3.9
95.08615	1.0
98.22623	0.8
103.05499	1.1
105.04510	0.8
105.07034	7.3
107.05014	1.6
107.08602	5.4
109.06525	2.0
109.10132	0.8
115.05447	4.2
116.06221	1.8
117.07024	8.7
118.96764	1.5
119.08564	3.2
120.86166	0.6
121.06507	7.7
128.06223	3.6
129.07013	8.6
130.07761	1.8
131.04944	1.1
131.08569	18.5
132.09027	0.6
133.06491	0.9
133.10175	1.1
135.08070	4.4
141.06946	2.9
142.07780	3.7
143.08585	4.5
144.05693	1.1
144.09380	1.5
145.06538	3.3
145.10136	11.1
146.10556	0.7
153.06970	4.4
155.08537	4.1
157.06555	0.8
157.10135	3.4
158.07301	1.1
158.10876	0.8
159.08124	4.1
159.11707	6.7
160.08752	1.0
167.08559	1.0
168.09357	3.2
171.08049	1.0
172.08871	1.2
172.12431	1.0
173.09624	5.2
173.13228	2.8
177.98132	0.7
183.11807	1.4
186.10379	1.3
186.14023	0.7
197.40733	0.5
201.09036	1.0
201.12758	29.5
201.16367	10.5
201.18146	0.9
202.13104	1.3
215.42085	0.6
221.34012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03946	1.0
55.01871	1.4
55.05511	4.5
57.03419	1.1
57.07070	1.4
59.93118	0.5
65.03931	1.0
67.01846	0.8
67.05506	6.3
69.03423	7.7
69.07066	4.6
69.44546	2.7
71.04993	39.3
73.02917	0.8
76.61885	0.5
77.03898	0.5
79.05067	0.7
79.05499	7.0
81.03399	0.9
81.07048	5.0
83.04980	1.6
85.06532	1.4
86.09706	6.3
88.03989	1.1
91.05481	28.9
93.07045	6.4
95.04955	2.3
95.08604	4.2
96.08129	1.1
97.06551	1.2
98.02418	1.4
99.04356	0.5
102.04698	0.8
103.05451	1.9
105.03402	1.3
105.06369	1.1
105.07032	13.5
107.04959	1.1
107.08614	4.7
109.06511	1.9
109.10136	1.1
115.05459	9.1
116.06271	5.4
117.07020	21.6
118.96741	3.2
119.04932	0.5
119.08567	6.8
121.06496	2.8
121.10156	1.3
128.06224	6.1
129.07007	15.8
130.07813	5.8
131.04893	1.6
131.08569	41.1
132.08893	1.2
133.06454	1.1
133.10159	2.3
133.11832	0.6
135.08060	1.3
141.06984	12.0
141.10172	1.0
142.07784	9.5
143.08569	9.7
144.05702	4.4
144.09343	2.9
145.06502	9.7
145.10123	29.3
147.08025	1.5
153.06990	6.5
154.07744	1.2
154.96457	1.1
155.06050	1.4
155.08559	16.6
156.09061	1.0
156.10228	2.6
157.06454	1.3
157.10127	11.8
158.03589	1.4
158.07297	4.1
158.10855	1.8
159.06775	1.2
159.08064	21.8
159.09369	1.1
159.11690	20.9
160.08769	1.7
162.03215	0.6
167.08554	1.7
168.09340	6.0
169.06436	1.3
169.07742	0.7
170.07274	0.8
171.08023	1.6
171.11649	1.9
172.08813	4.0
172.12572	0.7
173.06044	2.8
173.09622	14.2
173.11121	0.7
173.13237	7.1
177.98073	1.5
183.11678	6.8
185.09618	0.8
186.03145	0.9
186.06769	2.6
186.10365	3.5
199.11227	0.9
201.05447	6.5
201.09053	7.4
201.12740	100.0
201.16364	22.4
202.13097	5.1
202.16721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.71469	1.0
53.03937	3.0
55.01868	2.2
55.05502	3.7
57.07059	2.0
58.44344	1.0
63.15106	1.0
65.03931	2.1
66.16262	1.1
67.01876	1.2
67.05505	9.7
69.03426	4.7
69.07057	2.1
71.04996	32.1
77.03912	1.1
79.05495	10.4
81.03403	1.2
81.07063	11.8
83.04993	1.7
91.05482	35.4
93.03410	4.8
93.07053	14.0
95.04949	4.9
95.08608	8.6
97.06544	1.1
98.22623	2.2
103.05479	3.4
105.07035	22.7
107.04967	1.7
107.08599	11.6
109.06541	1.7
109.10157	1.7
115.05453	8.7
116.06224	5.4
117.07024	23.5
119.08588	12.5
121.06503	3.9
121.10174	2.1
128.06235	7.5
129.07025	21.2
130.07832	6.5
131.04889	3.2
131.08574	46.9
133.06531	1.9
133.10114	4.5
135.08080	2.3
141.06961	9.4
142.07784	16.9
143.08577	8.6
144.05728	3.4
144.09323	3.8
145.06499	9.5
145.10126	40.5
146.10696	1.7
147.08049	2.7
153.07025	7.1
154.07741	1.9
155.08551	17.2
157.06561	1.6
157.10123	17.5
158.07353	2.7
158.10867	3.0
159.08073	23.7
159.11707	29.8
160.08836	2.8
160.12057	1.1
167.08586	3.1
168.09348	8.3
171.08047	2.0
171.11708	2.0
172.08876	3.9
173.09633	10.0
173.13264	12.8
183.11722	7.4
186.10422	3.4
201.12749	100.0
201.16386	43.6
201.20374	2.0
202.13104	4.1
202.16884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03941	2.0
55.01857	2.5
55.05514	5.6
56.69221	0.7
57.03429	1.6
57.07072	2.0
62.52634	0.6
65.03938	2.1
65.27433	0.6
67.01852	1.6
67.05508	11.0
69.03436	6.9
69.07068	4.2
69.41673	4.0
69.42077	1.0
71.04995	37.3
77.03905	0.9
79.05492	13.3
80.53882	0.6
81.03414	1.2
81.07062	12.6
83.04972	1.2
83.08616	1.8
91.05483	45.8
92.05786	1.3
93.03367	0.8
93.07043	19.2
95.04983	3.5
95.08602	13.1
97.06520	1.9
101.80351	0.8
102.70023	0.7
103.05483	3.8
105.03382	1.3
105.04559	1.1
105.07034	24.4
106.07332	0.9
107.04926	1.1
107.07877	1.0
107.08589	16.6
109.06501	2.7
109.10155	4.4
112.68946	0.9
115.05447	15.0
116.06269	6.5
117.07027	28.0
119.08578	15.7
121.06498	2.5
121.10146	6.5
123.08113	1.1
128.06229	10.7
129.07013	27.6
130.07813	8.2
131.04913	1.2
131.08571	55.7
132.08893	0.8
133.06479	0.9
133.10139	6.8
135.08057	1.9
141.06993	15.8
142.07779	19.3
143.08575	11.6
144.05708	3.1
144.09323	4.4
145.06491	8.0
145.10124	61.7
146.10651	1.8
147.08069	1.7
147.11665	1.0
152.06169	0.7
153.06985	10.6
154.07771	4.2
155.06078	1.8
155.08557	28.1
156.09250	0.6
157.06424	1.1
157.10144	23.1
158.07312	2.4
158.10826	3.3
159.08057	21.5
159.11694	40.3
160.08661	2.2
160.12277	0.9
163.31351	0.7
167.08574	1.6
168.09357	11.6
171.07999	1.3
171.11710	3.3
172.08847	2.7
172.12456	2.1
173.05910	1.0
173.09636	10.3
173.13268	14.7
179.81238	0.7
181.10223	0.8
183.11691	9.2
186.10390	2.4
186.14165	1.2
201.05424	2.1
201.08958	2.2
201.12750	100.0
201.16382	68.7
202.13083	4.7
202.16740	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	201.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01876	1.4
55.05515	4.4
57.03437	1.0
62.55351	0.7
65.03936	1.2
67.01872	1.0
67.05499	7.6
67.66272	0.7
69.03439	8.0
69.07067	3.5
70.44209	2.2
71.04997	32.8
77.03919	0.9
79.05499	8.4
81.07053	10.8
83.04996	0.9
83.08613	0.9
85.06519	1.1
88.23067	0.7
91.05478	32.2
93.07039	13.3
95.04976	2.5
95.08602	9.2
103.05462	2.4
105.07031	20.6
107.04931	0.9
107.08595	9.5
109.06515	2.2
109.10156	2.7
115.05450	8.7
116.06223	6.0
117.07027	27.3
119.08574	12.1
121.06508	2.8
121.10167	3.5
128.06223	7.8
129.07008	20.6
130.07840	5.8
131.04918	1.6
131.08568	47.3
132.08980	0.7
133.06494	1.3
133.10141	5.0
135.08066	2.0
141.06979	11.5
142.07787	15.5
143.08565	12.0
144.05664	3.4
144.09300	2.8
145.06477	6.9
145.10124	44.4
146.10626	1.2
147.08052	2.2
153.06985	6.8
154.07796	1.7
155.06218	0.8
155.08543	20.8
155.92235	0.8
157.06531	1.3
157.10136	23.2
158.07278	2.0
158.10815	2.3
159.08073	21.5
159.09415	1.5
159.11702	30.3
160.08842	1.5
167.08554	1.8
168.09351	8.9
169.09944	0.8
171.08051	1.3
171.11696	2.9
172.08803	3.7
172.12444	1.0
173.09613	12.9
173.13261	10.5
174.13638	1.2
183.11705	7.9
185.09592	0.8
186.10387	2.8
186.14053	1.3
196.63849	0.8
201.12749	100.0
201.16374	45.1
202.13159	4.4
202.16707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03936	3.1
53.60783	0.8
55.01871	2.9
55.05503	4.3
55.15805	0.9
57.03444	1.5
57.07070	1.6
58.69156	0.9
59.28357	0.9
65.03944	1.9
67.05511	7.9
69.03423	6.4
69.07071	2.1
69.26336	6.1
71.04995	42.9
79.05498	8.0
81.03402	1.6
81.07066	6.4
85.06552	1.7
91.05480	34.1
93.03404	2.8
93.07050	8.2
94.06064	0.9
95.04960	2.9
95.08614	5.6
97.06541	1.9
98.22658	1.3
98.67725	1.0
103.05434	3.0
104.69893	0.9
105.03384	1.2
105.06367	1.6
105.07036	16.7
107.04980	1.0
107.08601	5.8
109.06516	2.8
115.05447	11.1
116.06253	6.8
117.07027	20.0
119.08585	8.0
121.06493	3.6
121.10145	1.9
127.46609	1.0
128.06198	6.9
129.07007	20.3
130.07785	5.4
131.04918	2.8
131.08571	40.5
133.10158	3.2
135.08057	2.6
141.07018	9.3
142.07793	11.9
143.08517	9.3
144.05702	2.7
144.09343	2.6
145.06509	8.7
145.10117	27.4
146.07173	1.0
147.08037	2.6
153.07010	6.2
154.07761	1.2
155.06171	1.2
155.08572	17.0
156.09045	0.9
157.10114	14.4
158.07236	2.4
158.10852	1.8
159.08054	25.7
159.11688	20.1
160.08838	2.0
167.08553	1.7
168.09370	8.3
171.07997	2.2
171.11711	2.7
172.08864	3.3
172.12276	1.2
173.09645	11.1
173.13254	7.9
175.96576	0.9
183.11708	8.2
185.09572	1.3
186.10434	2.5
186.14070	1.6
201.12750	100.0
201.16397	23.6
202.13100	4.0
204.12254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02134	2.1
53.03941	5.5
55.01865	6.3
55.05499	8.7
55.47069	2.0
55.85373	1.9
57.07061	3.5
59.93122	4.2
60.68339	1.8
65.03922	10.6
67.05499	15.3
69.03425	34.2
69.07054	9.0
71.04990	10.9
77.94141	2.1
79.05497	19.3
81.03389	2.7
81.07056	11.8
89.67635	2.4
91.05480	61.2
91.13341	2.1
93.03396	35.7
93.07046	15.1
95.04965	8.3
95.08619	9.1
100.11298	4.9
103.05463	8.1
105.03368	4.3
105.04527	3.0
105.07027	29.7
107.04943	3.8
107.08585	11.0
109.06463	2.6
115.05445	34.1
116.06226	6.9
117.07012	37.4
118.96748	32.1
119.04974	3.3
119.08580	17.5
121.06516	19.7
121.10142	3.1
122.42886	2.0
123.04461	2.3
123.05531	7.7
128.06195	11.6
129.07001	33.8
130.07777	8.4
131.04941	7.1
131.08560	62.0
133.06458	4.6
133.10075	5.6
133.99071	8.2
135.08041	4.2
136.95389	3.8
141.06982	17.2
142.07784	13.2
143.08569	15.2
144.05725	7.3
144.09354	5.3
145.06459	22.3
145.10121	55.0
147.08072	5.9
150.95708	5.2
153.06999	11.6
154.96484	12.1
155.06029	4.3
155.08548	27.2
157.10130	16.3
158.07246	4.2
159.08037	28.8
159.11711	32.3
159.97020	3.2
160.08835	7.7
161.12440	2.1
167.08560	3.7
168.09320	12.9
169.13382	4.0
172.08824	6.6
173.09627	13.7
173.13261	14.4
177.98061	21.4
183.11697	11.4
186.10463	3.1
198.60376	2.2
201.09097	8.6
201.12750	100.0
201.16379	44.5
202.13092	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	201.1274
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
50.01567	0.3
51.02374	0.5
53.00310	2.2
53.03958	1.6
55.01873	3.0
55.05509	1.7
57.03433	0.3
65.03939	19.1
67.01853	0.3
67.05508	3.6
69.03426	3.8
69.03770	0.4
69.07065	1.2
71.04993	7.4
77.03931	0.5
79.05494	11.4
80.05804	0.3
81.03423	0.5
81.07061	2.6
83.04979	0.5
91.05479	18.5
92.05779	0.4
93.03405	100.0
93.07044	4.3
94.03724	2.0
95.04971	4.0
95.08593	1.4
98.22606	0.6
103.05458	1.4
105.04533	0.7
105.07030	8.0
107.04987	1.8
107.08597	4.3
109.06515	1.6
111.08087	0.3
115.05451	4.5
116.06240	2.5
117.07018	8.8
119.04950	0.4
119.06065	0.5
119.08572	3.3
121.05652	0.4
121.06507	6.4
128.06219	3.5
129.06999	8.0
130.07803	2.6
130.33995	0.3
131.04921	1.0
131.08568	16.8
133.06551	0.6
133.10162	0.9
135.08057	3.7
138.11298	0.3
141.06975	3.2
142.07799	3.6
143.08582	3.3
144.05717	1.0
144.09367	1.3
145.06505	3.5
145.10130	8.1
146.07237	0.3
146.10454	0.3
147.08031	0.5
147.11766	0.3
152.06218	0.4
153.06972	3.3
154.07741	1.1
155.06059	0.8
155.08534	5.8
156.09128	0.3
157.06502	1.0
157.10104	3.7
158.07280	0.9
159.08080	3.8
159.11696	5.3
160.08797	1.3
167.08588	1.1
168.09338	2.6
171.07970	0.9
171.11713	0.7
172.08791	1.5
172.12410	0.4
173.09627	4.9
173.13240	3.2
183.11650	1.3
186.10406	1.1
201.12738	26.9
201.16393	7.3
202.13077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92782	0.7
53.00297	2.4
53.03943	2.0
55.01868	3.0
55.05517	4.9
57.03437	0.8
57.07071	2.4
57.85207	0.6
65.03606	1.4
65.03942	21.9
67.05508	9.8
69.03442	5.5
69.07072	4.5
71.04995	15.3
71.07747	1.1
71.08636	1.3
71.24155	0.7
74.36814	0.7
77.03955	0.7
79.05496	22.0
81.03436	0.7
81.07061	15.2
83.04982	1.0
83.08640	1.0
91.05483	35.4
92.05809	1.0
93.03408	100.0
93.07043	19.5
94.03737	2.3
95.04975	6.5
95.08608	16.6
97.66008	0.8
103.05472	3.0
105.03416	1.2
105.04534	1.2
105.07034	29.7
107.04956	3.0
107.08592	20.7
108.08899	0.9
109.06526	2.0
109.10139	4.1
115.05467	9.0
116.06229	3.4
117.07021	49.5
118.07330	1.2
118.96768	1.1
119.08582	18.7
121.06510	8.1
121.10139	7.1
128.06207	5.4
129.07021	15.5
130.07809	8.4
131.04935	1.2
131.08571	65.6
132.08919	1.7
133.06514	2.1
133.10127	7.4
135.08047	5.0
135.11644	1.1
135.29958	0.8
137.15559	0.7
141.06993	7.2
142.07785	6.8
143.08554	8.7
144.05788	1.9
144.09338	5.9
145.06522	5.7
145.10126	61.4
146.10564	1.7
147.07999	1.1
147.11716	1.2
153.06969	5.8
154.07733	0.9
155.08554	9.5
157.06531	1.2
157.10141	13.3
158.07266	1.6
158.10922	4.3
159.08104	10.7
159.11696	60.9
160.08812	2.2
160.12047	2.0
167.08632	1.4
168.09366	3.7
170.10851	0.8
171.08095	2.3
171.11693	4.7
172.08867	2.1
172.12462	3.0
173.05945	0.9
173.09619	8.7
173.13258	19.2
174.86617	0.8
177.98137	0.8
181.10135	0.9
183.11710	4.1
186.10405	2.2
186.14038	3.2
201.08963	1.6
201.12756	54.1
201.16393	99.9
202.08578	0.7
202.13074	2.8
202.16754	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75401	1.2
65.76163	1.2
66.50872	1.4
69.56680	6.8
70.06576	6.8
71.06101	2.1
84.34055	1.2
88.08772	1.8
101.00877	6.9
116.07079	4.3
119.01950	6.7
125.25176	1.2
143.01912	6.2
161.02954	9.2
203.05270	100.0
203.14961	3.1
204.05699	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01875	50.9
55.05508	5.5
56.96567	49.1
57.03442	18.8
58.06602	4.9
59.01375	4.0
59.05003	11.2
60.04527	3.3
68.05025	2.9
69.03431	8.3
69.07053	5.3
70.06593	25.2
70.67704	2.0
70.98119	3.3
71.04989	5.5
71.06109	4.7
71.29989	3.8
71.95268	3.3
72.08156	14.0
73.02925	2.8
74.97622	2.1
75.04491	5.0
81.03440	2.4
81.07047	3.3
83.05010	3.5
84.04490	3.6
84.08149	13.5
85.02900	11.2
85.63919	2.0
86.09708	77.2
87.04465	37.9
88.08763	6.2
89.02421	2.1
91.05488	6.3
91.23439	2.1
95.04992	4.6
96.04495	5.3
97.02887	11.0
98.09649	3.3
98.97583	42.3
99.04476	3.6
100.02506	4.9
101.00898	8.2
101.06010	2.9
102.96931	2.4
105.03372	2.9
105.07024	7.2
110.06002	3.0
112.11253	27.4
113.02434	3.7
114.05530	4.2
115.03935	23.9
115.05468	5.2
116.07113	7.0
116.98624	34.7
117.05519	2.9
118.03563	2.4
119.01920	34.1
119.08575	5.4
120.02036	3.1
120.97931	3.6
121.01682	3.2
121.06538	3.0
126.05527	5.6
128.06184	3.0
129.07011	3.4
129.13899	16.2
130.06541	9.5
132.05644	3.9
132.10216	34.3
133.05020	3.3
133.10150	3.7
134.99660	21.3
137.02945	6.9
138.98920	3.0
140.07062	2.8
142.01753	2.3
143.01935	8.0
143.03400	100.0
144.06612	2.5
145.03531	2.6
147.04425	4.3
147.08171	2.5
152.96855	2.5
153.00687	6.4
157.04959	2.7
157.06491	3.7
157.07654	10.0
157.13374	7.3
158.05959	4.1
158.12939	4.1
160.05136	6.5
161.01543	4.2
161.02985	36.2
161.04495	14.1
161.05826	2.7
171.03014	11.9
171.04318	3.9
175.06044	4.9
175.07562	9.8
177.00703	3.9
177.04459	2.7
179.02321	4.3
191.04105	2.6
202.98666	4.4
203.03519	3.9
203.05310	53.4
203.06941	8.3
203.08586	13.7
203.10670	4.9
203.14737	7.7
203.18007	3.0
204.06595	2.5
204.08664	5.0
221.74440	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.03925	1.5
55.01850	2.6
55.05501	2.4
57.03441	8.4
65.03936	1.3
67.05471	1.9
69.03410	2.5
69.07050	1.6
71.04961	3.7
71.31770	1.2
79.05503	6.5
81.07017	2.6
83.04917	1.2
85.06541	1.1
86.06147	1.0
86.09698	2.0
87.04445	2.2
91.05485	49.8
93.07032	6.0
95.04929	1.9
95.08612	6.2
97.06503	1.4
103.05470	36.7
105.03378	2.2
105.07040	9.8
107.04939	2.0
107.08546	1.8
112.11202	1.4
115.03891	1.0
115.05447	20.5
117.07016	13.1
118.55343	0.9
119.04945	39.1
119.08574	6.3
121.10151	4.8
128.06226	10.1
129.07014	14.6
130.04080	1.0
131.04002	1.6
131.04924	21.6
131.08510	1.3
132.05737	8.0
133.06490	7.4
133.10097	1.8
139.11147	3.3
142.07745	1.9
143.04860	3.8
143.05977	1.8
143.08528	3.5
144.05746	1.0
145.06493	19.9
145.10121	0.9
146.25157	0.9
147.04411	100.0
147.08052	7.7
147.11620	1.9
148.04721	3.1
155.04863	1.4
155.06010	2.3
157.06480	12.3
157.07602	1.6
157.10071	2.7
157.12204	1.1
159.04414	36.9
159.08008	1.1
159.11819	1.2
160.05255	6.3
161.05981	8.1
161.09529	1.3
171.04373	1.7
172.05127	2.4
173.05975	32.6
174.06607	2.0
175.03845	1.0
175.07533	9.3
175.11121	1.0
185.04390	1.3
185.05969	21.8
185.09531	1.0
185.13158	1.2
186.06281	1.2
188.04657	2.1
188.08228	1.0
202.07678	2.6
203.03363	1.6
203.06947	41.0
203.08398	3.8
203.10638	5.7
203.14386	6.1
203.18004	1.4
204.07190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01850	2.6
55.05501	2.4
57.03441	8.4
65.03936	1.3
67.05471	1.9
69.03410	2.5
69.07050	1.6
71.04961	3.7
71.31770	1.2
79.05503	6.5
81.07017	2.6
83.04917	1.2
85.06541	1.1
86.06147	1.0
86.09698	2.0
87.04445	2.2
91.05485	49.8
93.07032	6.0
95.04929	1.9
95.08612	6.2
97.06503	1.4
103.05470	36.7
105.03378	2.2
105.07040	9.8
107.04939	2.0
107.08546	1.8
112.11202	1.4
115.03891	1.0
115.05447	20.5
117.07016	13.1
118.55343	0.9
119.04945	39.1
119.08574	6.3
121.10151	4.8
128.06226	10.1
129.07014	14.6
130.04080	1.0
131.04002	1.6
131.04924	21.6
131.08510	1.3
132.05737	8.0
133.06490	7.4
133.10097	1.8
139.11147	3.3
142.07745	1.9
143.04860	3.8
143.05977	1.8
143.08528	3.5
144.05746	1.0
145.06493	19.9
145.10121	0.9
146.25157	0.9
147.04411	100.0
147.08052	7.7
147.11620	1.9
148.04721	3.1
155.04863	1.4
155.06010	2.3
157.06480	12.3
157.07602	1.6
157.10071	2.7
157.12204	1.1
159.04414	36.9
159.08008	1.1
159.11819	1.2
160.05255	6.3
161.05981	8.1
161.09529	1.3
171.04373	1.7
172.05127	2.4
173.05975	32.6
174.06607	2.0
175.03845	1.0
175.07533	9.3
175.11121	1.0
185.04390	1.3
185.05969	21.8
185.09531	1.0
185.13158	1.2
186.06281	1.2
188.04657	2.1
188.08228	1.0
202.07678	2.6
203.03363	1.6
203.06947	41.0
203.08398	3.8
203.10638	5.7
203.14386	6.1
203.18004	1.4
204.07190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Tremetone
Peak:m/z	Relative Intensity
53.03934	0.8
55.01869	1.7
55.05483	1.4
67.05495	3.3
69.03449	0.7
69.07064	1.6
69.08665	5.1
74.69489	0.8
77.51936	0.7
79.05499	5.3
81.07061	3.3
86.09673	0.8
91.05480	7.8
93.07064	3.5
95.04983	1.4
95.08613	5.0
103.05473	3.2
105.07032	10.8
105.78941	0.7
107.04981	1.1
107.08593	2.4
109.10179	4.6
113.24139	0.8
115.05444	11.6
117.07021	5.8
119.04945	1.6
119.08582	10.5
119.29382	0.8
121.10138	3.0
121.10940	0.8
123.11694	1.5
127.05383	0.9
128.06224	62.5
129.06955	4.7
130.06474	0.7
130.07758	1.2
131.04938	4.3
131.08551	2.2
132.05743	1.7
133.06448	2.2
133.10139	5.9
135.11699	0.8
137.06001	2.6
141.06938	3.4
142.07806	3.7
143.04927	3.8
143.08563	71.5
144.05658	2.2
144.08890	1.9
145.06491	11.2
145.10181	4.1
146.07237	1.5
147.04399	5.1
147.08028	3.5
147.11690	9.2
152.06209	1.6
153.06972	1.9
155.06049	4.9
157.06467	3.1
157.10114	2.6
158.07185	0.7
159.04411	8.2
159.08057	2.7
159.11674	2.0
160.05211	12.8
160.08835	3.9
161.06010	4.5
161.09628	4.0
161.13269	2.9
162.06721	1.8
171.08058	54.0
171.15872	0.7
172.08722	6.3
173.06006	11.0
174.06764	40.9
175.07545	40.1
175.11102	3.3
175.14771	1.4
176.07889	1.7
185.09668	1.8
185.13257	3.1
188.04779	1.4
188.08328	41.3
189.08682	2.9
203.06841	4.6
203.10669	100.0
203.14169	5.7
203.17976	13.1
204.11015	4.9
221.11897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05272	0.2
55.01872	0.8
56.96565	1.6
57.03444	2.6
58.06583	0.2
59.01723	0.2
59.05003	0.9
60.15031	0.2
61.02923	0.4
68.05015	0.3
69.03431	0.6
69.07069	2.9
70.06595	5.8
70.56728	0.7
71.05004	0.6
71.06121	1.7
72.08156	1.0
73.02928	0.4
73.38479	0.2
79.87753	0.3
81.03439	0.3
84.04482	0.3
84.08150	1.9
85.01440	0.3
85.02927	2.1
86.09709	100.0
87.10018	1.3
88.08747	2.0
90.05564	0.4
96.04507	0.4
97.02895	1.0
98.97596	1.3
100.02491	1.1
101.00883	6.0
102.96840	0.4
103.00640	1.1
103.02445	0.4
105.00378	0.6
105.07043	0.3
110.07169	0.3
111.04426	0.3
112.11251	0.9
114.05542	0.6
115.02451	0.3
115.08731	0.3
116.07109	2.5
116.98635	0.9
118.03530	0.7
119.01926	14.2
120.02027	1.1
121.01671	5.9
126.05549	0.3
127.03911	0.3
129.10242	0.3
129.13898	0.5
130.06532	1.0
131.01898	1.7
132.01997	0.3
133.01683	1.4
133.03465	0.5
133.09843	0.4
134.99664	0.4
137.02948	3.1
138.03174	0.3
139.02698	2.3
142.01808	0.6
143.01891	4.4
143.03108	0.3
143.03477	0.4
143.04947	0.3
144.02080	0.3
144.03262	0.7
145.03427	0.5
149.02979	0.6
155.01907	0.6
156.97479	1.9
157.03534	0.8
157.07655	0.7
158.08067	0.3
158.11783	0.4
158.12941	1.4
160.02873	0.3
161.02962	17.6
162.03125	1.2
162.04375	0.6
171.02905	0.7
172.10887	0.7
173.02971	1.2
174.98531	1.5
175.02782	0.5
175.04547	1.1
179.00780	0.4
179.04045	1.0
179.99168	2.1
184.04587	0.4
185.02965	0.7
188.04683	0.3
191.03992	0.5
193.03813	0.6
198.00403	1.4
203.00676	0.4
203.02408	1.9
203.05377	7.1
203.06998	0.3
203.08325	0.6
203.10966	0.3
203.15034	2.3
203.18002	0.4
204.13832	0.5
221.01555	0.5
221.03349	2.4
221.05008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1392
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
55.05514	0.8
56.05027	0.9
56.96568	9.1
57.03436	1.0
60.04525	1.4
61.01134	0.7
69.03429	1.4
69.07071	1.1
70.06593	8.3
71.05020	0.8
71.06113	2.1
71.30110	0.7
71.95283	0.6
72.08155	1.7
79.05503	0.7
81.03414	0.9
84.04501	1.8
84.08156	1.9
85.02908	2.2
86.09707	100.0
87.04472	0.9
87.10066	1.0
88.08755	1.9
91.05457	1.1
96.04486	0.8
97.02891	1.7
98.06034	0.9
98.97601	1.4
99.04436	0.9
100.02483	0.8
105.07038	1.4
109.02874	1.8
110.06054	0.8
112.11266	4.7
114.05521	1.7
115.05491	1.5
116.07100	2.6
116.98618	1.7
119.01905	3.5
119.08588	1.4
120.96487	0.7
125.02357	0.9
126.03127	1.9
126.05529	2.3
127.90494	0.7
129.13910	2.6
130.06537	2.7
131.01996	0.6
131.31163	0.6
132.10207	66.5
133.10602	0.8
134.99614	1.1
137.02940	1.4
141.05467	7.3
142.01796	0.9
143.01935	1.2
143.03346	1.1
147.04451	0.9
157.06503	0.9
157.07602	4.0
157.13380	8.5
158.11771	1.3
158.12932	1.8
160.02908	0.8
160.05249	0.8
161.02956	5.5
161.05946	1.0
175.07553	1.7
185.12964	1.1
203.03519	1.1
203.05296	23.2
203.06831	1.1
203.08382	3.5
203.10527	0.9
203.13898	1.9
203.15013	2.8
204.06781	0.7
204.08662	1.8
204.10294	0.9
204.13821	1.0
222.04471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.02364	1.4
53.03945	16.7
55.01871	13.3
55.05511	13.1
65.03941	3.8
67.05183	1.6
67.05509	24.2
69.03434	9.4
69.07060	9.3
70.45921	4.1
71.04996	41.2
77.03915	4.5
79.05494	45.7
81.03410	7.6
81.07063	25.4
81.08427	1.2
83.04961	2.8
83.08621	2.7
83.77411	1.2
85.06542	1.9
91.05480	81.1
92.05772	2.0
93.07047	30.8
95.04964	16.2
95.08604	30.2
97.06534	14.3
103.05448	4.6
105.04524	6.2
105.07032	75.2
106.07381	1.7
107.04971	1.7
107.08592	15.3
109.06493	3.5
109.10163	16.6
111.08093	2.0
115.05464	9.9
116.06239	2.1
117.07021	21.7
118.07821	1.6
119.04974	2.0
119.08581	55.2
121.06507	2.8
121.10126	6.3
123.08067	11.4
123.11693	8.1
125.81464	1.1
128.06224	20.1
129.06999	23.4
130.07790	2.8
131.08562	20.2
133.06479	3.7
133.10129	25.1
135.08104	2.1
135.11736	2.6
141.06966	4.9
142.07779	15.4
143.08562	30.0
144.09329	4.2
145.06508	2.9
145.10120	6.7
147.08044	9.9
147.11681	31.9
148.08839	2.4
149.09563	1.9
149.11621	1.2
155.08534	4.9
156.09346	4.3
157.10133	20.5
157.11386	1.8
159.08075	2.1
159.11703	21.6
160.12418	2.0
161.09630	14.4
161.13239	10.6
170.10916	3.1
171.08046	2.0
174.06612	1.4
175.07561	2.8
175.11177	8.8
175.14774	3.8
178.68886	1.3
185.13263	13.0
188.08356	1.3
194.21181	1.2
203.07014	2.7
203.10689	3.8
203.14317	100.0
203.17929	33.7
204.14575	2.2
221.59932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.02377	1.1
51.13717	0.7
52.34684	0.7
53.03948	10.8
54.12180	0.7
55.01868	8.8
55.05516	9.1
57.03425	1.5
65.03932	1.5
67.01859	0.9
67.05505	15.2
69.03435	7.7
69.05037	1.8
69.05442	5.2
69.05946	0.7
69.07069	3.9
71.04996	35.0
77.03922	2.5
77.15131	0.7
79.05495	34.4
81.03412	5.1
81.07057	13.0
83.04971	2.5
83.08615	0.9
85.06541	1.7
91.05484	60.3
93.07047	18.2
95.04971	14.9
95.08607	16.7
97.06536	11.2
103.05438	3.6
105.03372	0.8
105.04520	4.5
105.07033	55.3
107.04951	1.7
107.08604	9.0
109.06516	3.2
109.10158	5.5
109.33314	0.8
111.08088	1.4
115.05450	5.3
116.06241	1.5
117.07028	14.4
119.04924	1.0
119.08582	31.3
121.06537	1.5
121.10152	3.2
123.08064	9.1
123.11703	2.2
128.06224	10.0
129.06120	1.2
129.07016	16.2
130.07762	0.8
131.08563	16.4
131.09492	1.2
133.06483	3.2
133.09161	0.9
133.10124	15.3
134.07268	1.1
135.08032	1.4
135.11662	1.0
141.07039	4.5
142.07780	10.0
143.08562	17.8
144.09273	3.2
145.06502	1.1
145.10147	6.6
146.07278	1.2
147.08069	6.0
147.11700	13.7
148.08856	2.0
149.09618	1.3
155.08574	3.4
156.09346	2.9
157.10161	12.8
159.11699	21.5
160.08879	1.2
160.11983	0.8
161.09618	15.3
161.13280	6.5
162.10251	1.1
169.09885	0.7
170.10909	3.5
173.13226	1.0
173.33635	0.9
175.11197	9.8
175.14792	3.4
185.13260	10.2
188.11862	1.0
203.14328	100.0
203.17921	12.7
204.14680	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
51.99107	0.8
53.03946	4.1
55.01875	5.5
55.02107	1.0
55.05516	5.0
56.61915	0.7
58.36451	0.7
65.03934	2.1
67.05510	10.6
67.14584	0.8
69.03430	4.0
69.07063	2.9
69.15117	7.2
71.04993	25.9
77.03929	1.8
79.05064	1.3
79.05497	19.5
81.03434	1.6
81.07066	10.1
83.04973	1.9
85.06548	0.9
91.05483	35.9
92.05785	1.2
93.07048	13.0
95.04974	5.0
95.08620	7.9
97.06538	6.2
98.22532	0.8
100.92384	0.8
105.04494	1.2
105.07032	33.3
107.04897	1.4
107.08619	6.5
109.06535	1.6
109.10159	3.5
115.05450	5.5
116.06274	1.1
117.07020	11.2
119.05043	1.2
119.08581	22.7
121.06525	2.0
121.10144	3.1
123.08060	3.8
128.06224	10.3
129.07024	14.1
130.07803	1.5
130.42450	0.8
131.08569	15.6
132.05707	0.8
133.06485	2.7
133.10135	12.2
135.08037	1.6
137.09637	1.3
141.06985	3.4
142.07788	9.0
143.08569	17.8
144.09341	3.8
145.06491	1.5
145.10144	6.1
147.08052	8.9
147.10622	1.1
147.11696	11.5
148.08801	1.2
155.06097	1.0
155.08559	4.0
156.09340	2.3
157.10138	16.1
159.11714	21.7
160.05225	1.1
161.09644	14.0
161.13243	5.6
170.10931	2.8
171.04356	1.1
175.07535	1.7
175.11169	9.4
175.14841	3.2
185.13246	12.6
188.12030	1.1
203.07016	3.0
203.14331	100.0
203.17792	8.6
204.14679	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03952	1.2
55.05512	10.6
57.07063	2.5
65.82076	0.9
66.90150	0.8
67.05511	12.4
67.55924	1.0
68.75431	0.9
69.06725	1.5
69.07072	20.1
70.61221	0.9
70.90530	1.8
70.90882	1.1
75.04595	0.8
79.05499	5.8
81.07062	26.4
82.07355	1.0
83.08632	4.4
91.05479	14.2
93.07048	12.3
95.08607	32.3
97.10228	1.2
105.07033	58.7
106.07329	2.2
107.08605	17.1
109.10155	21.4
117.07023	4.0
119.08583	65.7
120.08942	1.8
121.10139	17.0
123.11729	5.2
131.08560	5.4
133.10136	55.3
135.11681	5.8
145.10124	18.5
147.11690	67.4
148.12012	1.4
159.11696	7.3
160.12453	9.6
161.13254	33.4
162.13620	1.2
173.13388	1.2
174.14078	1.7
175.14836	6.3
188.15569	1.1
201.57007	0.9
203.17960	100.0
204.18295	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	203.1795
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03943	0.9
54.10245	0.8
55.05515	4.4
65.03934	1.2
67.05505	15.7
69.07069	9.5
70.70414	0.7
79.05491	8.9
81.07058	28.9
83.08615	1.9
91.05478	11.2
93.07046	18.4
95.08606	60.8
105.07031	29.9
107.08593	44.5
108.08923	1.1
109.10155	35.1
110.10473	1.5
119.08582	26.0
120.08904	0.9
121.10130	14.4
123.11723	6.5
133.10130	26.6
135.11679	3.8
145.10114	2.3
147.11687	49.4
148.12096	1.3
159.11737	1.5
160.12314	1.1
161.13239	12.8
162.13567	1.0
175.14841	8.0
203.17950	100.0
204.18332	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	203.1796
Annotation	Iso-alpha-curcumene
Peak:m/z	Relative Intensity
53.03934	2.9
55.01871	6.5
55.05507	11.4
55.84459	3.0
56.29776	2.6
57.07063	2.7
60.14368	2.8
61.49284	2.7
67.05510	29.8
68.99787	3.9
69.07067	23.7
69.35930	2.9
71.31480	3.2
79.05515	14.6
79.05914	2.8
79.71255	2.8
81.07060	44.7
83.08598	8.4
83.82796	2.7
91.05482	37.4
93.02163	3.6
93.07052	23.3
95.08615	61.8
95.09199	2.6
97.10151	3.5
97.52853	2.9
98.66541	2.8
100.02532	3.6
103.05440	3.1
105.07034	82.9
107.04951	5.5
107.08600	29.1
109.10152	63.7
112.11195	3.1
115.05468	29.4
117.07030	14.4
119.07780	5.7
119.08588	77.2
120.96493	7.7
121.10144	21.0
123.11705	10.8
129.01855	4.3
129.07001	7.0
131.04956	10.2
131.08553	7.8
132.05679	11.5
133.04959	10.0
133.10127	59.0
135.11720	6.8
135.98865	3.3
143.04953	15.0
143.08527	6.3
145.06528	3.5
145.10115	12.7
147.08083	20.5
147.10611	5.7
147.11696	83.0
157.04927	6.4
158.09628	3.5
160.05212	38.2
160.12488	4.8
161.09657	8.6
161.13268	34.0
171.04465	5.3
175.07541	47.9
175.08952	4.8
175.11147	5.4
175.14847	10.6
179.97833	5.6
185.13254	6.3
188.04729	23.0
203.06918	48.9
203.14334	43.8
203.17952	100.0
204.10161	3.9
204.18416	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	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.71978	0.7
52.64336	0.7
53.03944	1.2
55.05509	7.1
57.07075	2.5
62.06074	1.2
65.03941	0.9
66.46565	0.7
67.05509	21.9
69.07077	7.6
70.26324	1.6
79.05495	10.2
81.07060	38.0
83.08602	2.6
90.25266	0.8
91.05483	12.4
93.07047	19.8
95.08611	69.6
96.08921	1.2
97.10178	1.4
98.23376	0.8
105.07037	44.2
107.08595	39.1
109.10162	40.9
117.06988	1.4
119.08585	35.2
121.10146	17.7
123.11730	8.7
131.08565	1.6
133.09087	1.1
133.10132	27.5
135.11705	3.9
145.10135	3.2
147.11691	52.2
148.12338	0.8
159.11725	2.3
160.12480	0.9
161.13263	16.9
175.14793	7.6
185.20978	1.5
199.90402	0.9
203.17961	100.0
203.21973	17.0
204.18294	4.5
220.36081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01885	0.8
55.05520	0.4
56.05048	0.2
56.96566	1.2
57.03441	3.4
57.04565	0.3
57.07079	0.3
58.03790	0.5
58.06615	0.5
59.05001	0.4
59.07395	0.3
60.04528	0.6
60.08167	12.3
61.02919	1.1
67.05501	0.3
68.05027	0.5
69.03424	1.5
70.06596	0.5
71.04988	1.2
71.06116	1.0
71.06919	0.5
72.08155	0.7
73.02915	2.4
81.03428	0.8
84.04500	1.3
84.08144	1.2
84.35722	0.2
85.02908	100.0
86.03254	0.7
87.04455	0.4
89.00802	0.3
96.04524	0.4
97.02898	2.3
98.06051	0.4
98.97574	0.8
99.04449	0.5
101.00892	1.2
102.00962	0.3
102.02436	0.3
103.00618	0.3
109.02876	0.6
110.01272	0.4
110.57014	0.2
111.02913	0.3
113.00893	0.3
114.05549	0.5
116.98666	0.4
117.01982	0.2
117.05508	0.3
117.07377	0.3
119.01904	2.1
120.02006	1.2
121.01653	0.7
121.02923	0.3
123.02876	0.4
126.05553	1.0
127.03889	0.6
129.07831	0.5
130.04990	0.2
130.06511	0.5
131.01880	1.1
132.03471	0.3
133.21439	0.2
134.08087	0.6
135.02861	0.3
137.02866	0.4
138.03348	0.4
138.05467	0.8
142.08617	0.6
143.01921	1.3
144.01971	0.7
144.03423	0.5
144.06534	0.4
144.10193	2.2
145.01613	0.3
145.04961	7.8
145.84814	0.2
147.04013	0.3
149.02315	1.6
153.04027	0.2
155.01855	0.4
157.03438	0.4
158.05995	0.3
158.12920	1.2
161.02917	1.8
162.03145	1.9
162.04416	0.4
163.02664	0.9
172.03197	0.5
173.02988	1.4
174.03026	0.4
183.55077	0.3
185.02898	0.7
203.03944	0.4
204.03954	0.3
204.05618	1.9
204.08513	0.9
204.12227	15.7
205.12555	0.6
213.36279	0.2
221.04977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53164	0.2
55.01875	1.0
55.05511	0.3
56.02212	0.3
56.05059	0.2
56.96563	1.0
57.03440	3.8
57.04565	0.4
57.07088	0.4
58.03771	0.6
58.06615	0.6
59.05013	1.1
60.04531	0.9
60.05317	0.3
60.08165	11.7
60.14864	0.2
61.02933	1.8
62.43588	0.2
68.05026	0.4
69.03430	1.8
69.83907	0.7
70.06596	0.7
71.01376	0.3
71.04999	1.7
71.06130	0.9
71.06925	0.2
71.29424	0.2
72.04513	0.3
72.08158	0.8
73.02911	2.2
74.41576	0.2
81.03424	1.2
81.05737	0.2
83.01338	0.3
84.04500	1.4
84.08133	1.1
85.02907	100.0
86.03246	1.1
87.04462	0.4
89.09105	0.2
91.05499	0.2
93.01889	0.3
94.93011	0.4
96.04477	0.8
97.02892	3.0
98.06060	0.2
98.97592	0.9
99.04447	0.6
100.07585	0.3
101.00903	1.0
102.00948	0.4
102.02399	0.4
103.00617	0.3
103.03938	0.3
106.02693	0.2
106.69898	0.2
109.02851	1.0
110.06062	0.2
111.02940	0.4
111.04432	0.2
113.00816	0.3
114.05516	0.5
115.03191	0.2
115.05439	0.2
116.07056	0.3
116.98610	0.6
117.02895	0.4
117.05508	0.4
119.01913	2.8
120.01994	1.5
121.01636	0.8
121.02893	0.2
121.06516	0.2
123.02905	0.5
126.05505	1.1
127.03876	0.8
128.02269	0.4
128.98582	0.2
129.02882	0.2
129.07851	0.3
130.06500	0.7
131.01900	1.4
132.01938	0.2
132.03413	0.5
132.06551	0.2
133.03430	0.3
134.08080	0.5
134.99716	0.4
137.02896	0.4
138.03253	0.3
138.05463	1.2
142.08606	0.5
143.01924	1.1
144.02005	0.8
144.03362	0.3
144.06523	0.4
144.10207	2.4
145.03693	0.4
145.04955	7.3
145.06094	0.5
148.07516	0.2
149.02303	2.9
153.03874	0.6
155.01901	1.1
157.03371	0.5
158.06039	0.4
158.08070	0.3
158.11740	0.2
158.12881	1.4
161.02954	1.8
162.03110	2.2
162.04393	0.4
163.02676	0.9
163.04546	0.3
167.01814	0.2
168.06488	0.2
172.03143	0.8
173.02960	1.7
174.03029	0.3
175.02719	0.3
175.04472	0.4
185.02942	1.1
186.03062	0.3
186.05409	0.3
186.11185	0.3
199.04486	0.3
203.03905	0.6
204.05534	1.4
204.12202	15.0
205.05194	0.2
205.12379	0.6
215.03806	0.3
221.04965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03949	0.8
55.01879	1.6
55.05524	0.9
56.05027	0.8
57.03450	0.8
65.03605	0.9
65.03939	10.9
67.05506	100.0
68.05848	2.3
69.03431	2.5
69.07071	7.2
69.28220	2.9
71.04984	0.7
77.03885	0.5
78.33871	0.4
79.05491	3.7
80.04999	0.6
81.03410	1.6
81.07031	2.1
82.02946	1.3
82.06585	0.8
83.01328	0.9
83.04984	0.8
84.04506	10.7
85.02895	0.8
88.92663	0.4
91.05482	12.2
93.07031	1.8
94.02923	1.5
94.06571	2.3
95.04970	83.3
95.08617	1.4
96.05316	0.9
97.06522	0.5
98.23395	0.8
103.05488	1.2
105.03318	0.5
105.07025	6.2
106.06563	1.4
107.04969	1.3
107.07333	1.4
107.08591	3.5
108.04480	0.8
108.08125	0.8
109.06486	1.3
110.02426	2.7
110.06046	8.8
113.06010	7.1
115.05477	0.8
117.05766	1.3
117.07037	0.9
118.04172	1.0
118.06560	0.9
119.04941	9.4
119.08571	2.9
120.08119	0.5
121.06499	1.1
121.08813	0.5
121.10159	0.8
122.03210	0.4
122.06039	1.2
122.09655	4.8
123.04435	1.6
123.08062	1.4
128.06290	0.5
129.07016	0.9
131.05002	0.5
131.08588	0.9
132.02019	0.9
132.08084	2.2
133.06482	2.5
133.10124	1.1
134.06026	0.9
135.04428	0.6
135.06783	0.5
135.08015	0.9
142.07397	0.7
143.08543	0.9
145.02794	0.5
145.06467	0.8
145.10106	1.0
146.03552	0.6
146.06018	1.5
147.04410	7.6
147.08008	1.9
147.11652	1.1
148.07533	0.5
149.02354	3.1
149.08429	1.0
149.09619	1.2
150.02695	1.9
150.09149	20.4
151.07559	0.4
157.04022	1.0
159.07947	0.5
160.07533	4.3
160.08604	0.6
160.12129	0.6
161.05971	1.8
161.09650	1.5
161.13260	1.3
162.05400	0.5
163.11237	2.2
164.04596	1.0
168.08424	0.5
171.11774	0.9
175.03909	8.0
177.12772	0.7
178.08635	65.2
179.07025	1.0
179.08925	2.0
179.62064	0.4
188.06787	0.4
188.07928	0.6
189.05402	0.7
189.09073	1.2
189.12727	1.9
192.04257	2.2
206.08122	68.0
206.12131	1.6
207.06470	4.6
207.08322	2.7
207.10229	0.9
207.13802	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	207.0499
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01874	46.0
56.96564	27.0
57.03440	72.6
59.05002	6.2
59.21663	5.5
61.02919	19.3
62.36417	5.5
66.70685	4.5
68.21470	4.3
69.03428	14.8
71.01348	37.5
71.04999	11.2
71.30001	7.0
73.02913	46.3
81.03420	8.6
81.19165	5.2
83.00880	5.1
83.01327	26.6
83.04961	4.6
85.02906	36.2
87.00859	6.0
87.04470	44.0
88.98048	4.6
89.02398	10.4
91.05482	13.1
94.92997	5.5
95.01344	7.9
95.04984	6.8
97.02887	16.3
98.97582	48.5
99.00826	16.7
99.04472	6.1
101.02384	87.9
103.03974	8.3
104.01302	6.2
105.07057	11.3
110.01270	12.2
110.97591	11.6
111.00816	11.8
113.02439	8.0
115.03934	100.0
116.98629	20.3
119.01839	20.2
119.04893	7.0
119.08577	5.9
127.03886	7.6
128.02338	13.3
129.01846	63.9
131.01877	10.7
131.03374	16.8
133.04991	7.1
133.06671	4.3
134.99678	10.9
143.03409	24.1
146.02338	7.4
147.02921	19.2
147.04434	10.2
149.00246	7.3
157.01326	80.6
161.03076	6.3
161.04486	9.3
161.05972	10.8
165.05453	7.5
170.99625	6.3
175.02444	11.0
177.00789	10.6
185.02977	10.4
189.00681	6.7
189.03938	7.7
189.05467	10.4
201.00681	7.5
207.06557	20.6
207.11221	6.0
207.13847	5.5
212.01898	5.4
220.91039	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	207.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	1.1
65.03942	9.9
67.05511	1.3
70.63395	2.1
76.03148	0.9
77.03934	2.3
79.05513	1.1
80.06273	1.2
80.10875	0.9
81.06986	0.9
85.02344	1.1
85.02844	1.0
86.44139	0.9
89.03903	6.2
90.04707	1.0
91.05488	100.0
92.05819	2.1
93.03447	1.5
95.04943	1.0
96.69272	1.0
102.04696	1.0
103.05448	2.2
104.02681	1.1
105.03400	1.4
105.07034	2.1
107.04964	2.8
107.08568	1.2
108.05743	1.8
117.03442	1.2
118.04148	10.3
119.04953	98.3
119.08581	1.8
120.05272	1.3
121.02858	3.0
121.10102	1.0
122.95103	0.9
123.08092	1.6
129.03391	3.1
129.04437	1.0
131.04803	1.0
132.02060	7.7
134.03635	1.4
135.04420	3.8
136.05211	3.1
137.02315	1.0
137.05966	1.0
139.31235	1.0
144.54607	0.8
145.02817	2.7
146.03595	2.5
147.04419	74.8
147.11830	1.1
148.04778	2.3
149.02373	15.2
150.03137	1.0
150.70506	0.9
151.07594	1.5
157.03954	8.7
160.01703	1.0
162.03020	1.0
163.03876	2.9
164.04707	9.3
173.83545	0.9
174.03125	2.8
175.03912	82.4
176.04236	2.2
177.01836	4.2
179.07027	9.7
192.04185	36.3
193.04486	1.5
207.06538	47.0
207.13864	1.7
208.06836	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02379	1.1
53.03955	1.0
55.01874	1.3
55.05518	1.3
57.03446	0.8
64.03179	0.7
65.03942	9.3
67.05511	3.2
69.03435	2.7
69.07059	1.2
69.21158	5.6
71.05001	1.6
76.03142	1.2
77.03934	3.0
78.04729	0.6
78.72627	0.5
79.01854	0.7
79.05489	3.6
80.06260	1.5
81.07068	3.4
83.04981	0.8
85.02888	2.1
89.03906	4.3
90.04694	0.9
91.05484	100.0
92.05811	1.8
93.03414	1.1
93.07039	3.1
95.04967	2.6
95.08624	4.6
97.06491	0.7
98.83665	0.6
101.03865	0.8
103.05467	2.5
103.58824	0.5
104.02606	2.4
105.03402	2.9
105.07038	5.4
107.04953	2.3
107.08583	3.8
108.05766	0.8
109.06502	1.8
109.10154	1.4
117.03406	1.0
117.07037	0.9
118.04176	9.4
119.04948	91.7
119.08570	8.4
120.05277	2.2
121.02860	2.7
121.06488	1.7
121.10115	4.7
121.86499	0.7
122.03673	0.7
123.04448	0.8
123.08062	5.1
123.11694	1.9
129.03358	2.9
129.04468	1.2
131.04930	0.9
131.08594	1.6
132.02084	8.7
133.02831	1.5
133.06482	1.1
133.10124	3.5
134.03618	1.0
135.04417	3.0
135.08073	1.0
135.11684	1.0
136.05223	4.1
137.05986	1.1
137.09602	1.7
145.02826	2.0
145.10123	1.5
146.03645	3.3
146.07231	0.6
147.04413	71.6
147.08023	2.1
147.11691	4.3
148.04770	1.9
149.02341	11.1
149.09639	5.4
150.03246	0.9
151.07515	1.7
156.09363	1.2
157.03979	8.7
159.83075	0.6
160.01553	1.2
161.06001	2.5
161.09610	1.6
161.13287	4.2
162.03070	1.0
163.03912	2.3
163.11179	1.2
164.04698	7.3
165.12680	0.7
171.11641	0.9
174.03131	2.0
175.03914	89.0
176.04251	2.4
177.01807	4.8
179.07007	9.8
189.09126	0.9
189.12737	6.0
192.04172	34.0
193.04581	1.1
207.06523	52.8
207.13823	10.5
207.17513	0.8
208.06892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	1.0
55.01871	0.9
55.05511	5.3
57.03437	0.8
57.07071	3.2
59.05011	1.6
63.60381	0.6
65.03952	3.0
67.05508	33.4
69.03431	3.5
69.07059	2.8
70.80854	0.5
71.04996	1.5
71.12064	1.1
74.26546	0.5
76.25442	0.6
77.03947	0.8
79.05498	5.3
81.07053	5.3
83.04990	2.7
83.08604	1.1
85.02909	1.0
85.06544	8.0
91.05483	14.1
92.20143	0.6
93.07053	13.1
95.04991	3.7
95.08611	100.0
95.14454	0.6
96.08943	2.2
97.06542	1.4
103.05485	0.8
105.07034	14.7
105.07745	0.7
107.08600	15.8
108.05726	0.9
109.06535	2.9
109.10147	3.4
111.08084	0.8
113.06014	3.1
117.07030	1.8
118.04115	0.7
119.04980	4.3
119.08584	28.5
120.09375	1.2
121.06531	3.3
121.10156	13.9
123.08072	62.9
123.11700	7.0
124.08412	1.9
129.07025	0.7
131.08586	4.4
133.06512	1.5
133.10146	6.5
135.08086	1.5
135.11685	2.6
135.30469	0.6
137.09622	4.5
137.13223	1.7
139.07506	2.0
145.10158	1.7
147.04463	3.0
147.08052	5.6
147.11696	10.6
148.04861	0.6
149.09627	26.0
150.09987	1.1
151.07555	2.2
151.14824	4.9
153.09094	1.2
156.09352	1.7
156.19107	0.6
159.08041	1.3
160.08804	1.2
161.05974	1.9
161.09616	2.1
161.13266	18.3
162.13573	0.9
163.11140	2.0
164.04694	0.9
165.09091	1.4
165.12781	7.8
171.11674	2.7
174.10379	2.2
175.03902	3.2
179.07074	1.1
179.14337	3.4
189.09094	0.9
189.12756	16.0
190.13123	0.7
192.04155	0.8
207.06532	2.5
207.13806	28.3
208.14125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05511	1.6
57.07073	1.4
65.03937	1.5
67.05508	4.5
69.03419	1.6
69.07066	1.5
70.27383	1.0
70.27705	0.8
71.05011	0.7
79.05502	3.3
79.62507	0.5
81.06577	1.0
81.07056	16.7
81.07525	1.0
83.04985	1.2
85.02905	100.0
85.06567	0.6
86.03231	0.6
86.09966	0.5
90.61210	0.5
91.05482	12.6
93.07034	5.0
95.04978	1.3
95.08605	4.5
103.05417	0.9
105.07035	6.8
107.04958	0.6
107.08586	5.6
109.06486	2.5
109.10155	16.9
111.04446	1.7
117.07020	0.7
118.04173	0.7
119.04955	7.7
119.08577	6.8
120.05222	0.6
121.06519	1.5
121.10147	10.7
123.04498	0.7
123.08076	1.6
123.11707	63.8
124.12019	2.5
125.05988	12.3
129.03322	0.6
129.06947	0.5
131.08577	2.2
132.02084	1.0
133.10133	0.8
139.07492	1.0
141.05452	1.8
143.08551	0.5
145.10143	2.9
147.04407	7.5
147.08055	4.1
147.11682	8.7
149.02335	1.2
149.08505	1.0
149.09622	13.0
150.09911	0.6
151.07541	4.2
155.22687	0.5
156.09320	1.8
156.94322	0.5
157.03984	0.8
157.74255	0.5
159.08031	0.6
161.09692	0.6
161.13222	1.8
164.04742	0.6
165.12738	2.6
169.08672	1.5
171.11693	2.5
174.10326	1.2
175.03909	7.3
176.04201	0.6
179.07060	1.2
189.12749	8.9
192.01472	0.5
192.04176	3.4
207.06499	4.7
207.13803	38.8
208.14128	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.56697	1.7
53.03942	4.1
53.84551	1.7
55.01869	2.8
55.05508	15.5
55.98392	1.7
57.03430	7.3
57.07063	3.9
59.04997	7.9
59.85819	1.6
61.77875	1.7
62.93187	1.8
65.03590	1.6
65.03936	4.2
67.05238	1.5
67.05511	18.6
67.99030	1.5
69.03428	19.8
69.07066	16.5
70.58981	1.6
70.68358	3.7
71.04996	9.1
79.05484	16.8
81.07057	24.7
83.04984	15.4
83.08598	2.3
85.02900	3.9
85.06541	5.3
91.05479	32.3
93.07038	30.0
95.04974	13.4
95.08609	36.2
97.06529	7.5
99.04482	3.3
103.05471	2.0
105.07031	87.4
107.04935	2.6
107.08595	47.0
107.09289	3.2
108.05708	2.0
109.06517	27.2
109.10145	14.2
111.08102	5.5
113.06010	4.3
117.07009	6.1
119.04958	8.5
119.08578	100.0
121.06486	10.9
121.10152	38.9
123.04428	6.3
123.08075	43.7
123.11695	5.3
128.06268	1.7
129.06992	3.8
130.07739	2.3
131.08582	9.7
132.09332	2.1
133.06516	9.2
133.07428	1.9
133.10130	38.1
135.08054	18.0
135.11681	8.1
137.05995	4.2
137.09615	33.4
137.13260	2.6
139.07555	6.1
143.08548	7.8
145.10172	11.8
147.04399	4.9
147.08051	20.1
147.11687	90.0
148.12039	3.2
149.09616	35.9
151.07541	13.8
153.09178	2.9
156.09335	14.3
159.08090	3.7
159.11688	9.7
160.08856	5.1
161.09673	13.2
161.13257	66.1
162.13573	2.7
163.11234	9.5
165.09108	2.6
165.12775	11.8
171.11700	18.0
174.10374	5.5
175.03835	2.7
177.12807	13.1
179.14276	8.1
189.12746	50.1
189.16295	3.1
200.47217	1.7
207.06494	4.7
207.13812	98.7
208.14197	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	1.9
55.01870	3.1
55.05510	6.1
57.03449	1.1
57.07072	2.6
59.04998	1.2
65.03942	3.8
67.05509	14.4
68.99794	1.0
69.03431	4.2
69.07083	5.7
69.19637	6.5
69.20038	1.6
71.04998	4.4
72.08157	22.8
72.08538	1.6
77.03912	1.2
77.77481	1.0
79.05494	9.0
81.03419	2.8
81.07068	12.6
83.04989	4.5
83.08617	1.6
85.02915	4.9
85.06551	3.9
89.06033	3.8
90.17348	1.0
91.05487	41.1
91.06068	2.2
93.03419	1.3
93.07046	13.0
94.18731	0.9
95.04974	10.4
95.08611	16.8
97.06530	7.3
99.04445	1.0
103.05484	3.0
105.03395	1.1
105.07040	29.9
105.07748	1.6
107.04968	2.7
107.08589	14.9
108.05714	1.6
109.05785	1.9
109.06525	39.1
109.10159	9.8
111.08078	14.6
113.06006	0.9
115.05446	1.8
117.07045	3.3
118.04152	2.6
119.04950	100.0
119.05951	3.3
119.08588	30.5
121.02879	1.2
121.06498	7.0
121.10152	16.0
122.07298	1.7
123.04450	2.9
123.08076	15.1
123.11723	5.7
125.09651	1.0
129.07002	2.0
131.05057	1.0
131.08582	3.1
132.02119	1.0
133.06531	4.4
133.07466	1.0
133.10149	12.4
133.70674	1.0
135.04419	3.2
135.08072	4.0
135.11697	2.8
136.05240	4.9
137.06006	2.4
137.09625	31.3
137.13269	2.1
138.09953	1.1
139.07541	3.0
141.06999	1.6
143.08591	3.1
145.06497	1.6
145.10097	5.5
146.03668	3.6
146.07243	1.0
147.04407	16.0
147.08072	11.2
147.11693	24.4
149.02356	10.4
149.08501	1.8
149.09622	19.3
149.13272	1.3
151.07538	11.1
156.09322	5.4
157.04065	1.3
159.08052	2.3
159.11725	1.9
161.05962	3.8
161.09624	3.9
161.13249	15.6
162.03111	1.1
163.03944	3.1
163.07518	8.2
163.11205	6.8
164.04701	13.9
164.08339	1.6
165.09132	1.2
165.12764	7.4
171.11696	7.0
174.03110	3.7
174.10385	4.1
175.03935	9.3
177.05487	1.1
177.12784	1.5
179.07036	12.2
179.14337	2.1
180.09361	1.0
189.09155	3.0
189.12746	22.9
189.16428	2.6
191.64835	0.9
192.04172	5.6
207.06526	25.4
207.10245	3.4
207.13812	27.6
207.17519	2.5
208.13271	4.7
216.31320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
52.03975	0.3
53.03949	0.5
55.01866	0.3
55.05507	3.8
57.07079	1.9
66.93729	0.3
67.05502	3.2
68.47340	0.3
69.03431	53.6
69.07068	16.5
70.03757	0.5
71.31205	0.6
79.05494	1.7
81.07057	13.2
83.04983	6.0
83.08604	0.5
85.02898	0.4
85.06559	0.4
91.05450	1.5
93.07046	2.0
95.04946	0.8
95.08608	7.0
95.09218	0.4
97.06532	6.4
97.10184	0.8
105.07035	2.7
107.08591	3.6
109.06516	1.1
109.10151	3.9
111.08070	4.2
111.11720	7.0
114.27488	0.3
119.08576	4.9
121.10152	4.3
123.08109	2.0
123.11708	52.7
124.12035	1.2
124.63483	0.4
125.09725	0.3
131.08554	0.3
133.10143	3.9
134.10396	0.3
134.31128	0.3
135.11708	2.0
137.09607	1.5
137.13254	0.5
145.10138	0.4
147.11685	2.7
147.36609	0.3
149.09576	0.4
149.13261	1.6
151.11201	0.9
161.13268	0.9
163.14880	0.7
165.12790	0.8
189.12737	0.5
189.16385	5.5
190.16696	0.3
192.09261	0.9
207.17444	100.0
208.17752	4.3
226.04295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
55.05514	4.0
57.03427	0.7
57.07057	1.1
60.81727	0.5
67.05175	1.0
67.05509	10.7
69.03430	1.2
69.07069	5.1
69.98250	0.6
71.04987	2.3
71.31665	0.6
77.03952	0.7
78.13564	0.6
78.15256	0.5
79.05493	4.9
81.03388	0.7
81.06580	1.1
81.07056	20.4
83.08611	2.2
85.02905	1.2
85.06541	0.9
91.05473	5.2
93.07041	13.8
94.97671	0.5
95.04962	1.1
95.08607	33.9
97.06549	0.8
97.10166	1.7
99.08102	0.6
101.75340	0.5
105.07029	16.0
107.08596	12.4
109.06510	1.4
109.10158	40.0
110.10502	0.5
111.08076	5.2
116.94323	0.5
117.07063	0.7
119.08579	27.7
121.10143	24.8
122.10425	0.8
123.08065	2.2
123.11703	8.3
125.09579	1.2
131.08589	1.7
133.10135	30.7
135.11693	7.8
137.09663	1.7
137.13249	2.3
147.11688	18.4
148.11996	0.8
149.09608	0.9
149.13242	10.9
151.11151	0.9
160.12560	0.6
161.13264	6.6
163.14793	2.8
164.96239	0.5
179.17938	1.1
189.16394	47.7
190.16727	1.6
192.09338	1.3
207.11647	2.4
207.13853	3.2
207.17447	100.0
208.17812	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	207.1745
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
53.03941	1.1
55.05511	8.5
57.07064	2.2
58.27702	0.8
59.05020	1.2
67.05508	12.5
69.07074	11.9
69.25102	1.7
69.25504	3.6
71.04998	9.4
72.41739	0.7
79.05506	6.5
81.07063	25.2
82.07373	1.1
83.04988	1.0
83.08621	4.0
85.06545	2.3
91.05495	6.6
93.07053	18.1
95.04994	0.9
95.08612	47.7
97.06513	2.6
97.10191	2.3
99.08102	1.2
105.06380	1.3
105.07039	19.8
107.08599	20.6
109.06524	3.1
109.10160	34.6
110.10492	0.8
111.08083	23.5
113.09679	0.9
117.07015	0.7
119.08591	36.1
120.08882	0.9
121.09296	1.6
121.10152	29.6
123.08070	7.1
123.11710	20.0
123.12566	1.6
125.09624	8.7
126.52431	0.8
131.08531	1.7
133.10143	34.4
135.11699	11.0
137.09615	8.3
137.13243	5.2
145.10136	2.3
147.08086	1.1
147.11699	21.7
149.09668	0.9
149.13255	12.0
151.11180	11.7
161.13264	6.9
162.60051	0.8
163.14861	7.5
165.12749	1.5
174.14076	1.2
179.17931	1.3
189.12717	1.1
189.16396	36.9
190.16748	1.1
192.09341	0.9
207.13895	3.0
207.17453	100.0
208.15939	0.9
208.17760	4.3
221.50771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
51.82662	0.6
55.05514	3.4
56.57590	0.6
57.07063	1.4
59.04997	0.5
67.05512	8.1
69.03374	0.5
69.07073	5.4
71.04982	2.5
79.05494	2.1
81.07061	17.8
83.08630	2.7
84.20786	0.5
85.06526	0.9
89.74859	0.6
91.05475	2.4
93.07049	6.9
95.08611	24.4
97.06499	0.8
97.10164	1.9
105.07037	8.4
107.07880	0.6
107.08597	10.1
109.10166	24.1
111.08081	7.6
119.08588	15.2
121.10142	12.7
123.08078	2.4
123.11712	23.3
125.09637	18.1
131.08560	0.6
133.10139	18.1
135.11687	6.1
137.09668	2.7
137.13292	3.4
138.13492	0.6
141.19618	0.6
145.10107	0.7
147.11690	11.5
148.11931	0.6
149.13258	6.3
151.11183	3.8
161.13264	2.4
163.14806	3.0
165.12781	0.9
165.80675	0.6
179.18001	1.1
189.16394	28.6
190.16753	1.3
207.17448	100.0
208.17838	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	207.1745
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
55.05516	11.4
57.07053	2.9
65.43764	1.6
67.05502	14.9
68.65086	2.0
69.07072	14.3
71.04985	7.8
79.05495	8.3
80.96224	2.0
81.07059	28.8
83.08614	7.2
85.06525	2.2
91.05476	7.1
93.07034	19.0
95.04969	1.9
95.08608	48.8
96.17973	1.7
97.06533	4.7
97.10138	3.7
105.07027	24.5
107.08595	23.6
109.06474	3.8
109.10161	34.6
111.07352	2.6
111.08085	41.6
111.63482	1.7
119.08585	41.7
121.10139	30.0
123.08087	13.0
123.11719	23.1
125.09631	8.1
133.10138	37.8
135.11667	8.3
137.09605	9.2
137.13246	4.8
147.11687	26.9
149.13271	15.2
151.11163	9.6
161.13281	7.1
163.14853	5.8
165.69327	2.1
189.16394	44.3
207.11682	4.0
207.13678	3.6
207.17445	100.0
208.17711	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	208.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98166	0.2
53.03946	0.6
55.01880	0.9
55.05515	1.4
57.03449	0.2
65.03941	2.4
67.05508	2.0
69.03419	0.3
69.07072	0.5
71.04989	0.3
72.08157	29.5
73.08516	0.2
78.04713	0.2
79.05481	0.7
81.07081	1.0
82.46445	0.2
82.84855	0.2
83.04981	1.8
83.08625	0.5
85.02908	0.3
85.06535	0.4
89.03930	0.2
91.05482	10.0
92.05814	0.7
93.03421	0.4
93.07050	1.3
95.04977	1.0
95.08603	0.6
96.05318	0.3
96.08964	0.3
97.06532	0.6
103.05484	0.6
105.07045	0.8
106.04176	1.2
106.07362	0.5
107.04945	0.3
107.08598	1.0
108.08965	0.2
109.05771	0.4
109.06522	8.6
109.10159	0.7
110.06853	1.0
110.10491	0.2
111.08100	0.6
112.08416	0.5
115.05452	0.2
117.07039	0.2
119.04947	100.0
119.05971	3.8
120.05278	2.7
120.08936	0.6
121.06525	1.5
121.10137	0.9
121.65083	0.2
121.71078	0.2
122.10455	0.5
123.08088	0.5
123.11703	0.5
123.37138	0.2
124.08351	0.2
125.06006	0.5
125.09629	0.4
133.10153	0.2
134.03632	0.3
134.10533	0.4
135.04373	0.4
135.08058	0.3
135.11690	0.3
137.05949	0.3
138.09967	0.4
147.11655	0.4
148.04967	0.2
148.12018	0.6
148.48123	0.2
149.05960	1.9
149.09599	0.4
149.13254	0.4
150.09901	0.5
151.11192	0.5
152.07867	0.3
153.05487	0.2
153.09103	0.4
162.13712	0.3
163.07544	8.6
163.11163	0.2
164.07947	0.3
165.05046	0.3
167.14349	1.0
172.12019	0.4
175.10806	0.3
176.04250	0.2
177.05513	1.0
180.07376	0.4
181.08582	0.4
190.12126	2.1
191.14337	0.7
194.05717	0.2
207.54172	0.2
208.06775	0.8
208.13284	4.2
209.08110	0.7
209.13570	0.3
209.15393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1333
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
51.13262	0.2
53.03944	0.7
55.01868	0.9
55.05519	0.3
63.02376	0.3
65.03934	1.2
67.05508	0.4
69.62984	1.1
72.04519	4.5
72.08160	0.6
75.04484	0.5
77.03952	0.3
78.04730	0.4
79.05496	2.4
81.03459	0.2
81.07046	0.5
85.02911	0.4
89.03919	13.3
89.29074	0.2
90.04261	0.3
91.05482	3.7
92.05837	0.8
93.03419	1.6
93.07033	1.2
95.04974	1.3
97.06530	0.6
98.22673	0.4
100.07610	4.1
103.05473	1.0
105.03390	4.6
105.04510	0.4
106.04189	3.7
107.04957	5.7
107.08598	0.3
107.40366	0.2
109.06500	0.3
109.10205	0.3
119.04948	6.2
120.05293	0.8
121.06506	3.5
123.72811	0.3
125.05999	1.6
131.04915	0.4
134.03638	0.5
135.04420	100.0
135.05481	6.2
135.60492	0.2
136.04752	2.7
137.06039	0.3
138.06804	0.2
147.04407	0.3
148.04912	0.7
149.05981	4.6
151.07599	0.4
153.05475	0.2
153.09119	0.8
164.26158	0.2
176.04289	0.7
177.05487	1.8
178.12270	1.2
181.08580	0.8
193.04648	0.4
208.06844	0.9
208.13329	52.6
209.08105	0.8
209.13649	2.2
209.15382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.00299	1.2
53.03949	9.1
55.01876	16.6
55.05507	3.3
58.44505	1.3
65.03941	17.4
66.04684	1.3
67.05499	7.1
68.99805	1.4
69.03455	2.1
69.21607	1.5
70.68138	1.6
70.68445	2.4
71.05001	2.9
71.37959	1.3
75.04490	14.5
77.03917	1.8
78.04706	15.3
79.05496	10.9
81.03408	4.2
81.07055	5.4
82.04207	3.0
83.04999	2.2
84.52650	1.3
85.02913	10.4
85.06555	1.9
89.03914	5.8
89.06043	2.6
89.40913	1.6
91.05482	50.7
93.03409	34.5
93.07061	17.3
95.04976	21.2
95.08598	4.0
96.05769	1.9
97.06538	12.9
100.11259	1.8
103.05467	24.8
104.14186	1.3
105.03368	1.7
105.04515	4.8
105.07034	5.0
106.04177	81.6
106.67041	1.9
107.05005	7.1
107.08601	6.2
108.05779	1.5
109.06532	5.8
109.10146	2.4
111.04429	3.7
111.08083	1.9
117.03393	7.0
118.04162	2.1
119.04958	3.4
120.05727	2.1
121.06504	82.5
121.10139	4.3
122.03622	1.6
122.07317	1.7
123.04415	3.8
123.08084	3.3
124.05247	2.7
125.05992	26.4
125.09628	6.0
131.04930	6.3
131.06015	1.9
133.06541	1.5
133.10132	11.1
134.03621	12.8
135.04385	4.0
135.08051	4.2
137.05965	13.6
137.09637	9.0
138.06767	5.7
139.07567	3.1
145.02849	6.0
147.04428	2.6
148.05205	9.9
149.05984	100.0
149.13211	1.8
150.06357	2.3
151.03941	2.5
151.07530	3.6
151.11087	2.4
153.05469	5.8
153.09106	15.1
163.07574	6.4
164.07092	1.5
165.05518	2.1
165.12762	1.5
166.06343	3.2
167.07013	1.9
173.13263	1.9
177.05473	39.8
178.05925	2.5
179.08592	2.2
181.06459	1.2
181.08630	20.5
191.06834	2.9
191.08360	2.3
191.14340	6.1
194.10931	1.4
209.04169	1.7
209.08064	21.0
209.09810	1.9
209.13269	4.2
209.15372	8.3
225.10953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02388	1.3
52.03149	1.3
53.03947	8.5
54.38130	1.2
54.90240	1.2
54.93781	1.2
55.01878	13.1
55.05500	3.9
57.03436	2.0
57.07082	1.2
61.02935	1.4
62.35682	1.1
65.03941	14.1
66.67775	1.1
67.05505	7.6
69.03420	2.5
69.07083	1.3
71.04970	2.7
72.12327	1.0
75.04482	9.3
78.04706	11.2
79.05492	12.2
81.03413	3.3
81.07040	5.4
82.04210	2.1
83.01337	2.4
83.04968	5.5
83.08623	2.7
85.02905	9.8
85.06517	1.4
87.03600	1.1
89.03922	8.9
89.06027	2.7
91.05480	53.1
93.03403	27.4
93.07037	26.9
95.04963	20.3
95.08606	3.6
97.06542	15.8
98.22642	3.2
99.08076	2.7
102.04710	1.3
103.05473	27.6
105.03393	2.0
105.04494	3.9
105.07044	6.8
106.04175	71.4
107.04991	12.1
107.08591	8.6
108.05717	1.2
109.02911	2.1
109.06506	7.0
109.10139	4.7
110.03611	1.5
111.04430	3.4
111.08075	2.6
115.05495	1.4
117.03365	8.2
117.06992	1.9
119.04945	6.6
119.08580	2.7
120.05735	1.7
121.06504	86.3
121.10162	5.9
123.04414	5.1
123.08044	4.6
125.05995	22.9
125.09611	4.6
131.04927	17.0
131.08549	3.3
133.02843	2.1
133.06497	1.9
133.10097	2.9
134.03635	15.9
135.04414	6.3
135.08009	4.0
135.11690	1.8
137.05968	10.2
137.09569	2.0
138.06721	4.7
139.07489	6.6
145.02855	7.4
145.10184	2.2
147.04414	2.7
147.11626	1.5
148.05174	15.2
149.05980	100.0
149.09593	6.5
149.13243	3.0
150.06329	2.4
151.03970	1.6
151.07504	3.9
151.11163	3.1
151.41435	1.1
152.08298	1.6
153.05478	7.9
153.09113	19.0
157.37985	1.3
159.04431	7.2
162.03154	2.9
163.03952	2.0
163.07547	6.2
163.11163	2.7
163.14882	1.9
165.05406	2.1
166.06206	3.8
167.07030	14.5
167.14308	1.6
173.13286	1.7
176.04660	3.2
177.05470	61.7
177.09013	2.0
178.05951	1.6
181.04945	1.4
181.08597	17.5
181.10095	2.1
183.07764	1.2
191.06866	5.9
191.10695	1.7
191.14296	4.9
193.04805	1.5
194.05678	5.8
204.48756	1.4
209.08070	39.6
209.11273	1.7
209.15341	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	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
51.02363	1.0
51.54032	1.1
53.03947	8.2
55.01877	12.2
57.03427	1.3
58.39708	1.2
65.03941	16.5
67.05491	5.8
69.03434	2.0
69.16225	8.7
71.05014	1.4
75.04473	12.3
77.03909	2.3
78.04714	14.6
79.05482	10.4
81.03426	2.3
81.07047	1.7
82.04208	2.0
85.02904	8.2
85.06573	1.1
89.03916	4.9
89.06039	3.9
91.05479	49.6
93.03405	33.8
93.03967	2.2
93.07037	21.0
94.04206	1.4
95.04967	18.4
95.05539	1.2
95.08605	2.0
97.06528	13.7
103.05460	21.3
103.06129	1.6
105.03397	3.5
105.04526	4.9
105.07057	1.9
106.04173	91.1
107.05007	6.5
108.02084	1.2
108.05746	2.2
109.06535	4.0
111.04445	2.7
117.03403	6.4
118.04189	3.0
119.04976	3.2
120.05726	1.5
121.06507	88.7
122.07289	2.9
123.04445	4.6
123.08083	4.0
124.05225	2.4
125.05994	26.4
131.04922	5.1
133.06526	1.4
134.03642	13.6
135.04494	2.6
137.05968	11.2
138.06786	4.6
139.07523	6.8
139.34158	1.2
145.02820	5.8
147.04419	1.6
148.05180	9.0
149.05983	100.0
150.06377	1.7
151.03952	2.2
151.07574	3.6
153.05447	8.0
153.09113	19.5
154.61406	1.1
159.04414	1.4
162.03078	1.7
163.03934	2.0
163.07523	5.8
165.05528	2.4
166.06300	3.7
167.07065	2.0
169.34773	1.1
176.04752	1.6
177.05461	40.1
181.08618	18.1
183.34019	1.2
191.07068	4.5
194.05769	2.1
209.08107	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.02388	1.2
53.03952	7.4
55.01876	15.8
55.05511	1.0
61.34823	0.7
61.57431	0.7
65.03943	15.7
67.05500	6.2
68.01742	0.9
68.18431	0.8
69.03407	1.1
69.07056	1.7
71.05000	2.1
72.12799	0.8
75.04488	12.3
77.03928	2.6
78.04716	15.6
79.05502	6.5
81.03421	3.0
81.07059	2.9
82.04205	1.9
83.08621	0.9
85.02914	10.6
89.03922	7.2
89.06033	3.4
91.05482	48.2
93.03409	34.9
93.07047	17.6
95.04971	18.9
95.08606	2.2
97.06533	13.4
98.22588	3.0
99.04482	1.0
103.05471	18.9
105.03419	2.3
105.04496	4.4
105.07032	3.5
106.04179	90.9
107.05063	4.8
107.08578	2.0
108.02116	1.1
108.05730	1.8
109.06521	5.3
109.10162	1.1
110.07309	1.2
111.04457	2.3
111.08082	1.2
117.03376	5.5
118.04166	1.5
119.04968	4.5
120.05745	2.1
121.06512	84.6
121.10124	1.9
122.07343	1.7
122.90741	1.0
123.04430	4.6
123.08094	2.3
124.05220	3.1
125.05997	23.4
131.04927	7.8
133.02858	1.3
133.06487	2.2
134.03633	14.4
135.04388	3.5
135.08147	1.5
137.05974	12.1
138.06783	4.5
139.07545	7.2
145.02858	7.5
147.04454	2.2
148.05185	8.9
149.05984	100.0
150.06407	2.6
151.03926	2.1
151.07530	4.8
152.08305	2.0
153.05473	6.3
153.09106	17.8
159.04388	1.4
162.03261	1.2
163.03940	1.1
163.06470	0.8
163.07573	6.4
165.05516	1.9
166.06281	4.0
167.07008	2.4
167.08435	1.0
176.04710	1.9
177.05473	42.5
180.07762	1.3
181.08609	18.1
191.06995	6.1
191.14401	1.0
194.05785	1.8
209.08070	21.1
209.13388	0.8
209.15314	1.6
229.78238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03936	3.7
55.01878	4.6
55.05515	71.5
57.03434	2.9
57.07071	3.0
59.04996	5.2
61.84552	1.2
65.03948	1.4
67.05506	12.4
69.03435	7.8
69.07066	8.3
70.45321	3.1
71.05000	4.1
73.35152	1.1
79.05483	7.9
81.07056	18.5
83.04985	100.0
83.08138	2.5
83.08621	39.0
85.06548	3.6
91.05472	7.1
93.07043	17.2
95.04974	30.6
95.08615	11.1
97.06546	11.3
97.10178	8.7
99.04469	4.2
99.08118	1.5
103.05429	1.5
105.07048	7.7
106.04189	1.6
107.08600	25.6
109.06532	26.9
109.10165	27.7
111.04424	1.7
111.08107	10.0
113.09635	1.6
119.08574	2.9
121.06516	2.2
121.10141	30.4
122.10480	1.5
123.08081	3.0
123.11711	12.1
125.09638	15.5
131.08588	3.1
133.10124	12.8
135.08061	4.5
135.11693	1.4
137.09642	1.4
139.07559	1.7
145.10135	2.5
147.11653	1.4
149.05942	3.0
149.09648	1.8
149.13232	9.5
151.11189	32.5
152.11574	1.8
153.09138	11.3
154.15244	1.1
163.14822	4.6
166.65320	1.4
167.14320	66.4
168.14626	1.5
173.13277	6.6
177.05521	1.6
191.08163	1.8
191.14372	8.0
209.08012	2.3
209.15392	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	3.9
53.44186	1.1
55.01873	5.5
55.05514	65.5
56.41317	1.2
57.03434	2.2
57.07071	3.5
59.04996	4.7
59.97915	1.1
65.03962	1.3
67.05512	10.1
69.02129	8.8
69.03423	6.3
69.07071	5.4
71.04996	6.7
78.04754	1.2
79.05484	9.1
81.03417	1.6
81.07062	20.2
83.04985	100.0
83.08624	33.8
85.06553	3.8
89.03897	1.9
91.05482	10.8
93.03400	1.3
93.07054	16.0
94.78169	1.3
95.04976	23.3
95.08625	7.1
96.05786	1.5
97.06544	12.0
97.10145	6.9
99.04432	2.7
99.08082	2.1
103.05468	6.9
105.07050	8.0
106.04178	4.6
107.04980	2.5
107.08598	24.8
109.06509	30.7
109.10163	23.0
111.04467	1.5
111.08086	12.3
113.09659	2.2
117.03316	2.6
119.04950	1.8
119.08622	2.9
121.06506	13.0
121.10135	16.4
123.08071	2.4
123.11713	12.2
125.05961	2.4
125.09650	12.9
131.04938	6.8
131.08536	6.8
133.10136	14.2
134.03651	1.4
135.04424	1.2
135.08069	5.1
135.11702	1.2
137.09669	1.2
139.07497	1.1
143.08626	1.5
145.02817	1.6
145.10175	3.1
147.11740	2.2
148.05139	1.5
149.05980	10.8
149.09644	3.8
149.13268	8.3
151.11191	30.3
152.11594	1.7
153.09100	10.6
158.10966	1.3
159.04381	3.3
163.11111	1.6
163.14848	1.9
165.12698	1.9
167.14325	61.9
168.14700	2.1
173.13304	5.0
177.05495	18.8
177.19748	1.3
181.08669	1.6
191.14351	7.7
209.08124	3.4
209.11977	1.2
209.15387	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.79892	3.1
53.03949	4.6
55.01870	7.0
55.05510	30.6
57.03426	5.1
57.07064	6.2
57.11735	2.8
59.04985	5.6
65.03957	4.4
67.05492	16.6
68.99780	3.3
69.03429	10.8
69.07073	26.1
69.14030	8.5
69.14449	17.1
71.04984	9.8
79.05482	17.3
81.07056	41.7
83.04980	60.7
83.08627	18.7
85.06541	10.4
91.05481	16.4
93.03409	3.8
93.07047	35.2
95.04979	31.3
95.08611	29.2
97.06511	17.3
97.10162	4.1
99.04443	4.9
99.08102	24.0
101.96996	3.1
103.05467	3.6
105.07043	22.6
106.04166	8.5
107.08593	58.7
109.06522	33.3
109.10162	31.8
111.08068	17.2
117.07030	3.8
119.08564	9.2
121.06525	17.4
121.10142	48.8
123.08073	22.0
123.11700	18.2
125.05993	9.7
125.09631	22.9
125.13332	4.6
131.08548	12.0
133.10118	25.5
135.08051	16.8
135.11687	10.2
137.09624	9.9
139.07526	15.5
139.11186	4.0
145.10085	4.6
147.11673	8.2
149.05977	9.3
149.09622	97.3
149.13257	38.5
151.11171	49.3
153.09090	17.7
163.14871	17.1
167.14302	20.2
173.13245	22.6
177.05540	4.3
191.14331	40.6
209.15361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03927	3.6
55.01869	6.2
55.05269	3.4
55.05514	41.8
57.03418	4.0
57.07064	5.3
59.04991	6.6
65.03929	3.5
67.05499	22.4
69.03430	6.4
69.06770	2.5
69.07077	23.5
70.16794	4.5
70.17149	5.1
71.04988	11.0
78.04692	4.0
79.05501	20.5
81.07057	45.6
83.04977	73.5
83.08618	21.1
85.06557	7.2
91.05470	20.9
93.03415	6.1
93.07038	38.9
95.04975	46.9
95.08602	33.2
97.06523	17.3
97.10158	6.9
98.23321	3.1
99.04466	8.3
99.08086	17.2
103.05453	5.2
105.07030	24.7
106.04153	15.6
107.08592	65.8
109.06515	50.4
109.10144	33.4
111.04470	3.6
111.08070	13.1
117.06997	3.1
119.08585	12.0
121.06503	26.8
121.10142	48.8
123.08052	16.7
123.11699	17.0
125.06008	7.2
125.09657	22.4
125.13273	3.2
127.07483	2.4
131.08556	15.4
133.10126	22.6
134.03629	2.5
135.04462	3.1
135.08057	18.7
135.11697	8.7
137.05997	3.0
137.09650	6.7
139.07500	13.3
143.63852	2.9
145.10136	5.7
147.11670	8.3
149.06012	21.7
149.09618	69.2
149.13255	33.1
151.11171	51.0
151.12305	4.2
153.09099	25.7
154.09863	3.2
158.10901	4.6
163.14795	13.6
167.14325	23.2
173.13249	21.6
177.05499	8.0
181.08629	4.3
191.14322	34.8
209.08147	5.5
209.15388	100.0
210.15727	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	5.6
55.01855	6.7
55.02095	2.2
55.05511	51.7
57.03437	3.8
57.07056	6.1
59.04979	4.6
63.17133	2.0
65.03922	5.3
67.05501	14.0
68.99773	2.7
69.03425	4.9
69.07069	21.8
69.07606	17.0
71.04996	12.0
75.04465	2.0
78.04724	2.4
79.05495	14.9
81.07056	31.4
82.06561	9.3
83.04981	91.6
83.08616	31.0
85.02909	2.9
85.06538	3.4
85.45386	2.0
91.05476	18.8
93.03380	5.5
93.07040	23.1
95.04972	78.8
95.08602	28.1
97.06532	18.5
97.10151	3.6
99.04469	15.7
99.08076	3.7
100.07584	2.5
100.11250	23.8
103.05439	7.0
105.07034	13.7
106.04182	17.0
107.08599	31.2
107.50048	2.1
109.06522	90.4
109.09569	2.1
109.10154	26.0
110.06038	2.9
110.06784	2.5
110.14018	2.0
111.04430	3.9
111.08058	10.1
113.09644	3.4
113.27711	2.1
118.26133	2.2
119.08554	6.5
121.06504	19.1
121.10155	19.7
123.08062	18.4
123.11682	4.0
125.05939	7.2
125.09616	22.4
125.13225	8.5
127.08593	2.6
128.07094	2.3
131.08533	11.0
133.10118	20.3
135.08032	14.8
135.11647	3.0
139.07555	12.5
139.08525	3.0
139.11163	2.6
139.69495	1.9
140.83806	2.0
141.09006	2.9
147.04315	2.8
148.05151	2.8
149.05978	19.4
149.09558	5.8
149.13248	13.5
151.11206	10.8
153.05498	2.1
153.09103	36.0
154.09851	2.2
158.10866	3.6
163.14758	6.3
167.14268	7.0
173.13243	15.3
173.15309	1.9
177.05492	13.3
181.08528	3.4
182.15388	13.1
191.14297	20.1
209.08022	4.9
209.15289	100.0
210.15457	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.8
55.01872	6.8
55.05509	9.5
57.03437	1.4
57.07080	4.1
59.04998	4.0
62.22367	1.3
65.03946	3.8
67.05503	16.8
69.03435	17.5
69.07075	19.9
69.19478	9.1
69.19898	4.9
71.04993	10.2
75.28803	1.5
78.04722	3.3
79.05486	14.6
81.03444	1.6
81.07054	23.0
83.04984	14.4
83.08623	5.4
85.02916	3.0
85.06539	4.2
89.06039	2.2
89.60529	1.4
91.05486	19.9
93.03394	7.3
93.07046	24.3
95.04968	14.0
95.08606	35.6
97.06541	12.5
99.08096	4.0
103.05475	6.6
104.32397	1.6
105.07035	14.8
106.04185	20.1
107.04966	2.5
107.08599	45.9
109.06524	18.4
109.10162	19.3
111.08088	6.1
113.09692	2.4
116.72738	1.4
117.07011	3.5
119.04929	1.8
119.08575	8.8
121.06506	28.2
121.10139	42.2
123.08047	9.8
123.11707	8.0
125.06014	5.2
125.09631	11.4
131.08592	8.1
133.06581	1.8
133.10141	29.2
134.03632	3.5
135.08044	18.1
135.11693	12.0
137.05972	3.0
137.09586	11.3
139.07576	2.3
139.11205	6.7
143.08583	3.3
145.10158	6.4
147.11700	7.9
147.50069	1.9
149.05991	26.1
149.09631	10.6
149.13266	25.8
151.07629	2.2
151.11182	100.0
151.68755	1.6
152.11514	2.9
153.09134	5.0
158.10898	3.0
163.07491	2.3
163.11177	2.3
163.14835	9.9
165.12752	9.9
173.13257	14.4
177.05510	10.0
181.08600	4.3
191.14307	41.5
209.08110	4.8
209.11646	2.5
209.13445	3.6
209.15332	19.8
209.18839	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.84678	1.0
53.03927	1.2
55.05510	4.6
57.07079	8.4
67.05506	7.7
69.03431	19.5
69.07067	4.0
75.10577	1.0
79.05500	4.3
81.07060	10.4
83.04990	12.6
83.08612	2.5
85.06557	7.0
91.05462	4.7
93.07054	4.8
95.08604	9.2
97.06541	2.5
98.23360	1.9
99.08061	1.1
105.07022	4.6
106.04192	1.1
107.08591	21.3
109.06520	10.5
109.10179	2.4
111.08071	9.4
113.38700	0.9
114.13754	0.9
114.33802	0.8
115.59819	0.8
119.08582	4.4
121.06478	2.8
121.10156	10.6
123.08076	4.7
123.11678	4.8
125.09633	50.9
129.06990	1.2
131.08583	5.0
131.19496	0.9
133.10127	5.9
135.08060	11.7
135.11687	5.4
145.10101	3.6
147.11714	3.5
149.06006	1.7
149.09624	7.0
149.13254	8.1
150.10294	1.2
151.11177	3.1
153.09109	10.3
158.10916	4.0
161.09645	2.1
163.11169	2.2
163.14813	3.4
165.12749	14.8
173.13264	13.1
176.12112	1.3
191.14310	88.5
192.14644	3.3
209.15373	100.0
210.15714	3.6
229.03300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	4.8
55.01868	5.0
55.05515	75.2
57.03442	2.7
57.07085	2.9
58.82786	1.5
59.04993	4.2
61.76436	1.5
65.03936	2.3
67.05508	12.5
69.03436	9.0
69.07072	8.4
69.74809	1.4
70.37445	3.3
71.04994	4.6
79.05491	8.6
81.07058	21.8
83.04983	100.0
83.08617	36.1
84.05275	1.5
85.02921	2.0
85.06544	4.3
91.05483	12.0
93.03422	2.1
93.07050	18.0
95.04974	29.9
95.08617	10.3
97.06551	12.0
97.10175	8.9
99.04472	3.6
99.08113	2.6
103.05453	2.9
105.07043	7.8
106.04189	8.6
107.04992	1.5
107.08605	33.3
109.06523	41.6
109.10164	27.5
109.18788	1.8
111.08096	10.3
113.06008	1.5
113.09675	2.2
118.86808	1.5
119.08563	4.2
121.06532	10.2
121.10143	36.0
123.04423	1.6
123.08097	5.4
123.11714	13.9
125.06010	3.6
125.09624	16.9
131.04918	1.8
131.08586	4.3
133.10138	13.6
134.03603	2.6
135.08105	3.6
135.11732	2.8
139.07521	2.6
145.10098	2.2
149.05986	13.4
149.13264	12.3
151.11188	35.8
153.09096	14.4
157.58276	1.6
163.11270	2.0
163.14827	8.0
167.14322	72.0
168.14693	2.0
173.13293	6.3
177.05473	6.7
181.08620	1.8
191.14323	7.6
209.08073	3.1
209.15390	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	4.2
54.20320	1.3
55.01872	8.3
55.05512	73.2
55.15070	1.1
56.05014	1.1
57.03444	5.6
57.07066	4.4
59.04987	4.2
65.03934	4.3
67.05231	1.1
67.05515	10.4
68.33195	1.2
69.03431	9.8
69.07072	10.6
71.04992	7.2
71.31573	1.3
79.05495	12.5
81.03436	2.2
81.07055	16.5
81.09274	1.0
82.04196	1.5
83.04983	100.0
83.08624	35.1
84.05321	1.6
84.08929	1.2
85.02888	3.4
85.06542	3.8
88.71297	1.1
91.05479	18.4
93.03394	2.5
93.07052	26.9
95.04968	17.1
95.08605	11.0
97.06538	10.4
97.10182	9.7
99.04469	2.4
103.05454	5.4
105.07040	9.8
106.04170	7.2
107.04974	5.6
107.08598	34.4
108.08041	1.3
109.06509	14.0
109.10149	21.2
110.03690	1.1
111.04417	2.7
111.08086	12.4
113.05968	1.5
117.06997	1.5
119.08595	4.6
121.06507	14.6
121.10143	46.0
123.04473	2.3
123.08076	4.3
123.11694	11.6
125.04710	1.9
125.05993	2.7
125.09633	17.6
131.04951	1.9
131.08572	7.7
133.10156	7.8
134.03661	2.6
135.08115	7.1
135.11694	5.7
137.05977	2.0
137.09621	1.8
139.07545	1.6
142.02686	1.3
145.02899	2.2
145.10144	4.1
147.04407	1.8
147.11702	1.9
148.05179	3.4
149.05983	15.2
149.09628	17.7
149.13246	8.9
151.11176	35.9
153.05457	2.6
153.09088	9.5
159.04475	1.6
163.11197	3.1
163.14844	8.3
164.07048	2.1
167.07028	1.8
167.14319	70.6
168.14638	2.2
173.13248	4.3
177.05476	14.9
178.80580	1.0
181.04955	25.2
181.06448	2.1
181.08574	2.6
181.76056	1.2
191.08224	2.5
191.10689	2.9
191.14287	8.7
192.06641	1.2
194.05835	1.4
209.04457	5.3
209.08002	12.0
209.11693	2.3
209.15370	38.6
210.07622	1.7
210.11212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	4.9
55.01867	5.7
55.05516	51.2
57.03428	5.9
57.07072	9.0
59.04994	4.8
62.30507	2.4
65.03938	3.5
67.05228	2.2
67.05513	22.9
69.03433	53.8
69.07076	14.1
71.04997	12.8
71.10873	2.8
77.03962	1.9
79.05488	27.0
81.07067	34.4
83.04985	81.6
83.08620	28.2
85.06540	11.9
91.05485	19.5
93.03409	3.3
93.07051	31.3
95.04975	63.9
95.08615	18.8
97.06536	18.4
97.10178	5.7
99.04479	9.9
103.05447	5.1
105.07037	20.0
106.04171	6.4
107.04935	5.7
107.08607	57.7
109.06521	64.0
109.10149	25.6
111.04431	3.4
111.08092	15.1
117.07033	3.3
119.08575	10.2
121.06516	21.2
121.10144	48.3
123.08109	12.1
123.11723	18.2
125.05982	5.3
125.09641	67.6
129.07047	3.0
131.08582	31.3
133.10130	31.2
134.28163	2.4
135.08051	17.8
135.11736	11.2
137.05984	2.5
137.09634	2.9
139.07478	4.0
141.09148	2.7
145.10139	14.5
147.11681	10.3
148.05182	3.9
149.05966	9.6
149.09642	28.7
149.13258	16.8
151.11195	26.5
153.05489	3.6
153.09117	28.8
158.10883	4.2
163.11189	10.5
163.14833	11.1
165.09122	2.8
165.12801	11.3
167.07060	3.8
167.10678	2.9
167.14325	46.6
170.67743	2.6
173.13261	22.3
173.14723	3.5
177.05498	7.9
181.04915	3.9
191.10667	8.4
191.14316	78.2
192.14671	3.9
194.05719	2.8
209.08090	4.9
209.11780	9.7
209.15366	100.0
210.15683	3.9
221.91724	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.6
55.01873	3.9
55.05515	51.5
56.47551	1.3
57.03434	4.3
57.07084	3.1
59.02679	1.4
59.04995	4.7
65.03963	1.6
67.05510	13.2
69.03434	6.0
69.07066	11.9
69.73181	6.5
71.04990	6.7
79.05496	13.6
81.07056	27.3
83.04984	70.5
83.08621	32.4
85.06552	3.8
91.05494	13.5
92.47069	1.4
93.07050	22.9
95.04969	42.5
95.08600	14.7
97.06538	16.3
97.10168	6.7
99.04460	8.2
99.08082	2.4
100.77006	1.6
103.05480	2.5
105.07032	11.1
106.04185	5.4
107.04949	2.7
107.08591	32.4
108.04085	1.3
109.06522	100.0
109.10160	33.2
110.06827	1.8
111.08082	14.9
113.09624	2.6
117.07024	1.4
119.08599	4.9
121.06503	7.9
121.10142	46.1
122.10446	2.4
123.08051	6.9
123.11709	10.8
125.06046	1.3
125.09657	13.0
131.04895	2.7
131.08575	10.2
133.10135	26.3
134.03676	2.0
135.08058	16.3
135.11691	4.6
139.07500	1.9
145.10126	4.4
147.11729	3.8
149.06039	7.1
149.09642	5.2
149.13268	9.9
151.11189	27.0
153.09116	25.0
158.10945	2.5
163.11180	2.5
163.14836	10.0
167.14319	49.3
168.14667	2.2
173.13257	12.2
177.05475	9.2
191.06920	1.8
191.14304	22.0
194.02094	3.1
194.05841	2.2
209.04453	7.6
209.08081	6.2
209.15381	39.6
210.15813	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.79465	2.4
53.03941	6.8
55.01876	13.4
55.05511	86.9
57.03428	8.0
57.07062	9.3
59.05000	5.6
65.03933	6.3
67.05503	38.8
69.03419	30.9
69.07068	28.6
69.56511	16.2
71.04989	20.5
77.59277	2.6
79.05490	32.0
81.03411	4.5
81.07060	48.2
83.04978	100.0
83.08620	37.1
85.06541	10.4
87.82825	3.1
89.83499	2.6
91.05486	29.8
93.03371	7.2
93.07040	56.1
94.07411	2.7
95.04968	71.7
95.08609	26.7
96.08894	4.6
97.06530	20.4
97.10159	18.7
99.04449	10.9
99.08087	14.2
103.05481	9.2
105.07029	28.5
106.04164	10.9
107.04968	7.6
107.08592	79.3
109.06511	49.4
109.10156	36.6
111.04423	2.7
111.08062	21.7
113.06012	7.0
119.08582	14.2
121.02862	11.3
121.06516	27.5
121.09285	5.5
121.10134	74.2
123.04411	3.6
123.08068	12.0
123.11707	20.9
125.05986	10.6
125.09634	81.1
131.08549	17.9
133.10144	26.2
135.08076	20.0
135.11670	8.9
137.09596	6.1
137.13148	2.7
139.07506	7.8
139.11191	7.5
145.10133	10.6
147.11734	6.0
148.05148	3.5
149.05997	22.6
149.09618	82.4
149.13220	25.3
151.11176	60.4
153.09120	39.0
154.09830	2.6
158.10933	3.7
163.11192	10.4
163.14807	16.7
165.12708	4.0
167.07021	3.0
167.10730	5.0
167.14317	54.9
173.13287	13.6
177.05447	12.8
191.10632	9.8
191.14319	45.9
202.19299	2.7
209.08034	9.8
209.11766	10.2
209.15373	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.02376	1.3
53.03948	4.9
55.01873	7.4
55.05515	55.6
57.03437	2.3
57.07080	3.0
57.23544	1.0
59.05002	3.3
65.03943	2.8
67.05501	14.0
69.03429	11.3
69.07072	10.6
70.59937	1.2
71.04991	4.9
78.04717	1.6
79.05488	9.8
81.03448	2.6
81.07063	19.1
83.04984	100.0
83.08619	27.5
84.05318	1.9
85.02943	1.6
85.06561	3.3
91.05477	12.8
93.03388	2.7
93.07050	22.2
95.04978	14.5
95.08590	12.1
97.06538	10.1
97.10168	6.6
98.22558	2.4
99.04449	2.0
99.08101	3.3
103.05475	4.8
105.07056	9.0
106.04165	7.0
107.04979	4.0
107.08598	28.9
108.08942	1.6
109.06519	13.2
109.10162	22.0
111.04447	1.5
111.08083	11.3
113.09676	2.6
117.07025	1.8
119.08617	5.3
121.02863	7.5
121.06497	12.5
121.10148	20.4
123.08103	7.9
123.11711	12.6
125.06010	3.3
125.09638	16.6
130.12437	1.3
131.04930	1.7
131.07692	1.2
131.08537	6.4
133.10127	10.8
135.08026	5.9
135.11707	2.3
137.09605	2.8
139.07532	3.8
143.08620	1.7
145.10120	3.5
147.11708	3.0
148.05249	1.3
149.05988	12.9
149.09645	8.3
149.13280	13.4
151.11195	31.7
152.11537	2.2
153.05344	1.1
153.09079	6.6
155.08589	1.2
163.11276	1.3
163.14851	4.8
165.12791	1.7
167.14320	69.0
173.13303	6.0
176.39359	1.1
177.05505	6.1
179.14395	1.3
181.08600	3.0
191.10757	3.7
191.14316	13.6
209.04283	1.6
209.06250	1.6
209.08104	5.0
209.11510	1.5
209.15408	33.2
210.15770	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	2.2
55.01873	5.7
55.02741	0.7
55.05514	25.0
55.53983	0.8
57.03424	0.7
57.07076	2.9
59.04975	1.0
60.04044	0.7
65.03925	1.4
67.05509	14.5
69.03428	1.4
69.07073	5.5
69.22251	5.4
71.04984	1.8
72.52972	0.7
79.05494	12.9
81.03419	1.2
81.07061	19.3
83.04984	100.0
83.08631	2.9
84.05326	1.7
85.06544	2.3
91.05483	5.8
93.07048	21.7
95.05006	1.0
95.08607	17.9
97.06538	2.7
97.10169	1.1
98.23357	1.5
100.45142	0.8
101.47206	0.7
105.07041	2.9
107.05015	0.7
107.08595	16.9
109.06509	2.0
109.10167	5.2
111.04453	1.4
111.08084	7.0
117.07049	1.7
119.08612	1.6
121.06540	2.3
121.10142	8.8
123.11713	0.8
125.06026	0.8
125.09628	2.4
126.51170	0.7
131.08546	4.0
133.10158	2.2
135.08054	2.5
135.11674	1.7
145.10098	0.8
147.11691	1.1
149.09650	2.2
149.13272	9.1
153.05447	0.9
153.09125	1.5
163.08760	0.9
163.11163	0.8
163.14850	8.6
173.13313	2.9
175.91019	0.7
178.45503	0.7
191.08156	4.1
191.10724	1.0
191.14246	4.1
204.34187	0.7
209.09547	1.6
209.11780	2.4
209.13403	1.5
209.15341	18.1
210.07669	1.4
210.11171	0.9
210.15564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	3.9
55.01859	4.5
55.05514	71.6
57.03423	3.3
57.07073	3.4
59.04993	5.2
65.03938	1.7
65.98682	1.0
67.05507	11.8
68.99808	1.2
69.03441	7.5
69.06686	10.1
69.07062	11.2
70.06580	1.5
71.04993	5.6
79.05507	8.3
81.03419	2.4
81.06583	1.7
81.07056	20.4
83.04986	100.0
83.08625	36.3
84.05306	1.6
84.08130	1.5
85.02909	1.7
85.06534	4.7
90.72797	1.3
91.05495	9.4
93.03401	1.3
93.07059	18.0
95.04981	33.1
95.08613	9.6
97.06554	10.0
97.10180	7.5
98.23373	1.9
99.04463	5.6
103.05473	2.9
105.07030	9.7
106.04194	1.7
107.04930	2.6
107.08598	25.6
109.06524	30.6
109.10168	27.2
110.73203	1.2
111.08089	10.6
113.09644	1.8
117.03456	1.2
119.08553	2.5
121.06500	7.2
121.10154	37.6
123.08063	2.1
123.11712	13.4
125.04675	1.7
125.09653	17.1
131.04945	2.7
131.08592	3.3
133.07605	1.3
133.09351	1.3
133.10159	13.4
135.04388	1.6
135.08038	6.6
135.11713	2.0
136.07610	2.6
139.07541	1.6
139.11139	1.3
145.10109	3.3
147.11696	1.9
148.05180	2.4
149.05984	8.8
149.09540	2.8
149.13274	15.0
151.11186	38.4
152.11516	1.4
153.09102	13.0
163.07465	2.2
163.08688	1.8
163.14828	5.4
164.07045	2.7
167.14325	62.2
168.14693	1.7
173.13309	6.9
177.05501	7.7
191.06790	1.7
191.08302	3.1
191.14317	9.7
209.04472	4.7
209.08159	4.1
209.13353	2.4
209.15379	39.5
209.17284	2.6
210.07655	3.3
210.15768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.23280	1.5
53.03942	2.6
55.01876	3.9
55.05515	13.3
57.03412	2.0
57.07073	3.0
65.03941	1.8
67.05510	55.3
68.05826	1.5
69.07070	9.2
69.46471	3.0
69.46868	7.3
71.04994	4.0
79.05070	2.1
79.05499	30.5
81.03406	5.3
81.07061	100.0
82.07388	5.0
83.04980	6.5
83.08611	10.8
85.06547	3.1
91.05500	15.6
93.07047	32.7
94.07394	3.0
95.04954	6.7
95.08611	71.0
96.08949	3.7
97.06536	14.0
97.10144	1.5
97.36506	1.6
98.23345	3.3
99.08076	2.3
105.07041	9.8
107.08597	32.9
108.08900	3.1
109.06516	5.6
109.10160	15.2
111.08096	4.2
113.53515	1.8
117.07040	3.6
119.08577	5.7
121.06517	2.8
121.10126	14.6
123.08092	3.2
125.09558	2.8
131.08577	17.8
133.10100	8.0
135.08032	5.0
135.11694	1.8
145.10077	4.6
147.11681	7.4
149.09576	3.1
149.13263	13.5
153.09145	2.3
163.11182	2.3
163.14813	8.3
173.13272	23.3
174.13605	7.4
174.77390	1.6
191.08167	3.5
191.14308	8.1
192.14629	4.2
209.11696	1.8
209.15388	34.5
209.17220	2.1
210.18425	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1899
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
51.16941	1.1
53.03956	1.8
55.05511	14.1
57.03431	3.7
57.07079	6.1
67.05505	13.0
69.07070	49.9
69.17798	4.4
69.18216	7.1
70.71939	1.2
70.73918	1.3
71.05000	2.3
72.11339	1.3
74.45574	1.2
76.31252	1.2
79.05498	8.0
81.07053	28.8
83.08621	8.5
84.53755	1.4
85.06552	2.0
85.14001	1.3
88.87143	1.3
91.05456	3.6
93.07043	21.3
95.08607	84.4
96.08936	1.6
97.10152	10.8
98.22579	2.7
99.08090	7.7
105.07001	4.3
107.08598	27.2
109.10158	28.6
110.10477	1.3
111.11719	31.1
113.09612	1.7
121.09288	2.7
121.10143	39.6
123.11706	10.7
135.11696	30.7
137.13240	2.9
149.13284	7.6
185.89809	1.2
191.17946	100.0
192.18269	4.4
209.13515	2.5
209.15395	7.6
209.18938	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
54.42516	1.0
55.05514	17.3
57.03434	1.2
57.07080	3.1
61.75395	1.0
67.05502	13.8
69.07068	64.6
71.04996	3.6
71.08648	1.4
79.05494	8.9
81.06580	2.0
81.07057	37.6
83.04993	1.3
83.08615	8.1
85.06543	2.3
85.70595	1.2
91.05489	4.0
93.07053	20.4
95.08608	100.0
96.08956	2.5
97.06545	1.7
97.10160	10.3
99.08090	11.1
105.07031	1.8
107.08593	25.6
109.06504	1.4
109.10156	33.0
111.08043	1.4
111.11721	52.4
112.12046	1.8
113.09638	3.3
121.10139	45.5
122.10441	1.7
123.11710	12.2
125.09589	1.3
135.11691	33.7
137.13260	2.5
149.13260	6.6
153.09113	1.1
163.14745	1.3
179.08650	1.3
191.17943	70.1
192.18294	1.9
209.11650	1.5
209.13364	2.9
209.15392	7.0
209.18993	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	210.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01883	0.7
55.05515	1.6
56.05048	0.5
56.05843	0.6
56.96569	2.5
57.04411	0.3
60.04514	0.3
62.06100	0.4
64.21945	0.3
64.94405	0.3
65.03959	0.3
67.05500	0.4
68.05052	0.4
69.03443	1.0
69.07083	0.5
69.70303	1.4
70.06602	0.4
71.05028	0.5
72.04529	2.2
74.06091	0.5
76.91603	0.3
79.05507	3.0
80.05037	0.8
80.05822	0.3
81.03423	1.1
81.07092	0.5
82.07395	0.5
83.04996	2.5
83.08634	0.7
84.05322	1.1
84.08955	0.4
85.02930	1.3
86.06087	0.3
91.05477	5.8
93.07063	1.1
94.06563	0.5
94.07405	0.4
95.04988	0.7
95.08627	0.5
96.05372	0.3
96.08977	0.3
97.02904	1.2
98.06104	0.6
98.06793	0.4
98.97607	1.5
103.05480	7.1
104.05781	0.6
105.07030	9.2
106.06615	0.4
107.04964	5.5
107.08611	0.6
108.08919	0.4
109.06501	0.8
109.10185	0.7
110.06018	0.5
110.06834	0.5
110.10543	0.5
110.97588	0.4
115.05463	0.5
116.98609	1.0
117.05815	1.6
117.07027	4.5
118.05068	0.3
118.06556	4.5
119.04981	0.6
119.07328	7.6
119.08606	1.0
120.08115	9.0
121.06536	0.8
121.10123	0.5
122.06026	0.8
122.06855	0.6
122.10511	0.3
123.04444	0.7
123.08079	0.6
126.05544	0.6
128.06223	1.5
128.98630	0.4
129.07010	6.1
130.06503	0.8
131.04939	2.4
131.07285	1.7
132.05273	1.3
133.06502	4.2
134.05991	0.4
134.99640	0.6
136.07607	1.1
137.05992	8.0
139.03905	0.4
144.08080	1.2
145.06505	3.5
146.09647	7.9
147.04402	1.1
147.06497	0.3
147.08076	0.9
149.05916	1.2
150.05341	0.6
150.06349	1.2
151.03935	0.3
151.07536	0.7
152.07039	0.4
152.11549	0.7
155.05983	0.7
157.05035	0.5
157.06491	0.8
160.04796	0.6
162.09071	0.5
163.97705	0.9
164.07039	1.7
164.10713	100.0
165.11089	2.8
167.06967	0.9
168.06500	0.6
168.14647	1.3
174.09138	1.4
175.07455	0.6
178.05814	2.4
181.08604	0.5
182.08067	0.5
186.00827	0.3
186.96767	0.3
186.99138	0.9
192.06531	0.6
192.08873	0.4
192.10191	7.3
205.00168	0.5
205.98750	0.8
210.02237	0.3
210.07678	2.4
210.11234	12.8
210.15552	1.2
211.09561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01879	0.4
55.05505	1.0
56.05070	0.2
56.05846	0.5
56.96558	0.9
62.06091	0.7
64.05452	0.2
65.03953	0.2
67.05495	0.3
69.03417	0.4
69.07069	0.3
70.06602	0.4
70.71465	0.2
71.05003	0.2
72.04511	1.4
72.89478	0.2
73.02913	0.3
74.06086	0.4
79.05493	2.6
81.03411	0.3
81.07050	0.4
82.77782	0.2
83.04984	1.1
83.08599	0.3
84.05296	0.6
84.08961	0.3
84.41233	0.2
85.02898	0.3
86.06067	0.2
91.05476	4.1
91.06013	0.4
92.05814	0.3
93.07008	1.0
94.06595	0.3
94.07374	0.3
95.04979	0.8
95.08600	0.3
96.08955	0.2
97.02928	0.5
98.97627	0.5
101.04758	0.2
103.05467	6.0
104.05785	0.3
105.07031	8.6
107.04960	2.6
107.08612	0.3
109.06521	0.5
110.06004	0.3
111.04444	0.2
116.98559	0.2
117.05767	1.7
117.07024	3.3
118.04974	0.3
118.06549	4.0
118.07360	0.2
119.04960	0.4
119.07328	6.5
119.08600	0.8
120.08112	9.2
121.06474	0.4
121.08493	0.3
122.03624	0.3
122.06042	0.5
122.10480	0.6
123.04430	0.3
126.09954	0.3
128.06210	1.6
129.07004	6.6
130.06537	0.7
131.04929	1.8
131.07317	2.0
133.06493	0.8
136.07596	0.6
137.05975	5.7
144.08086	1.2
145.06540	0.3
146.09641	7.3
147.04395	0.5
149.05975	0.2
152.07066	0.2
152.11562	0.4
155.06032	0.4
163.97691	0.2
164.10712	100.0
165.05370	0.3
165.11061	2.6
166.08623	0.3
167.07045	0.5
168.14644	0.7
174.09164	0.3
178.05867	0.2
179.07018	0.2
182.08072	0.3
192.06531	0.6
192.10210	1.6
192.14644	0.3
193.10815	0.3
205.00183	0.3
205.98695	0.3
210.07867	1.0
210.11250	11.4
210.15526	0.7
211.09653	0.4
211.11545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37630	0.4
55.01880	2.4
56.05024	1.3
56.81507	0.5
56.96565	4.3
60.04493	2.0
65.03896	0.6
67.05497	0.7
67.56312	0.5
68.05024	2.5
68.87990	0.4
69.03414	0.8
70.06593	2.7
71.30908	0.6
72.04504	1.5
73.02905	0.5
74.06040	0.7
77.81174	0.5
79.05467	1.4
80.04978	2.1
81.03423	2.4
84.08123	0.5
86.06065	0.6
86.09677	0.5
86.76868	0.5
90.05526	1.3
91.05492	2.8
93.06986	0.7
95.04942	1.6
96.04458	0.7
97.02839	0.8
98.06059	2.9
98.97546	1.2
100.02471	0.7
103.05469	4.2
104.05807	0.8
105.07031	13.7
106.06536	0.8
107.04952	21.8
108.05216	0.6
109.02894	1.0
110.06054	0.7
114.05486	0.6
115.05416	2.0
116.98592	0.9
117.03924	0.5
117.07028	11.5
118.03487	0.5
119.01896	0.8
119.04945	0.7
119.08571	2.0
120.08083	2.1
121.02877	2.6
121.06474	2.2
122.06013	1.2
123.04355	0.6
124.07575	0.5
125.04714	2.1
126.05494	0.7
127.05450	0.6
128.06247	0.9
129.06969	1.9
131.04921	4.5
132.05714	1.2
133.06494	62.5
134.05974	0.9
134.06886	1.0
136.03911	0.8
136.07567	2.4
137.05957	0.8
138.05437	0.7
144.05717	1.1
144.08101	0.8
145.06485	36.2
146.05949	1.2
146.09561	0.8
147.08043	14.4
148.07526	0.5
149.05946	1.5
150.05519	2.6
151.05830	1.0
151.91400	0.5
152.07018	2.1
155.06021	7.4
157.06480	12.9
158.06758	0.5
159.03145	0.7
159.06810	6.8
160.07562	2.1
161.08385	7.8
162.09148	14.6
164.07054	3.3
164.10675	1.2
167.07063	0.8
168.06477	0.9
172.53673	0.5
172.95065	0.5
174.09138	14.6
175.07518	4.4
178.05835	0.5
182.08061	1.3
187.00801	0.6
187.02684	0.7
188.06065	0.5
192.06688	2.4
192.10196	100.0
193.10648	2.9
205.10806	0.5
210.02417	0.8
210.07726	4.1
210.11259	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.21166	44.2
73.02900	39.1
79.65578	24.8
82.10957	27.6
98.97563	28.1
110.14545	29.2
129.73770	30.6
143.20889	25.3
143.83685	24.9
210.94098	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03946	2.9
55.01878	1.0
65.03944	0.8
70.32804	0.7
77.03914	0.6
78.04714	4.1
79.05495	2.0
81.03424	0.5
81.07090	0.5
91.05488	13.2
93.07052	9.8
95.04971	3.6
96.05721	0.7
101.04049	0.4
103.05478	11.1
105.04536	1.6
105.07033	3.9
106.04193	2.4
107.04970	1.1
109.06460	0.5
115.05428	0.9
118.04170	0.5
119.04957	1.7
121.06511	18.5
122.03642	1.1
123.04442	8.1
124.05220	2.8
131.06058	1.3
133.06482	2.9
134.03653	0.8
135.04462	0.5
137.05980	9.5
147.04347	0.9
149.02414	0.7
149.05986	30.4
150.06305	0.6
151.03941	3.3
151.07507	0.8
152.04713	2.0
153.05302	0.4
159.55774	0.4
161.05977	3.7
165.05496	1.4
166.06270	7.0
167.07045	100.0
168.07405	2.7
179.06978	0.9
180.07835	2.1
181.08601	25.5
182.08936	0.7
193.08575	0.5
211.09656	3.2
225.57246	0.4
232.19800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00898	0.3
51.58503	0.3
52.78639	0.3
55.01871	0.6
55.05519	0.6
56.96564	1.9
57.03437	0.9
65.03949	0.7
67.05492	0.9
69.03432	0.5
69.07066	0.3
69.39851	1.4
69.40259	0.5
70.06582	0.7
71.04976	0.4
72.08137	0.4
79.05510	1.7
80.05025	0.4
81.03394	0.7
81.07064	1.2
82.06573	0.3
83.04975	0.4
84.08140	0.4
85.02921	0.4
90.92261	0.3
91.05491	4.8
93.07072	0.7
94.04177	1.2
95.04963	1.6
95.08590	0.8
97.02908	0.5
97.06529	0.3
98.06028	0.3
98.97585	1.3
99.04475	0.3
103.05469	0.8
105.03349	0.6
105.07047	3.0
107.04961	1.2
107.08694	0.3
109.02863	0.5
109.06520	3.0
109.10137	0.4
111.04503	0.4
112.03974	0.3
115.05504	0.3
116.32182	0.3
116.98634	0.6
119.01822	0.3
119.04951	5.3
121.06515	1.1
122.03663	5.3
123.04440	0.9
123.08040	0.9
124.03962	2.5
124.07604	0.5
125.06000	0.4
127.03954	0.4
128.98607	0.5
133.06511	2.1
135.04391	0.3
137.05983	100.0
138.06366	2.0
139.03905	0.8
139.05849	0.3
145.96683	0.8
146.99727	0.3
147.03337	0.6
147.04427	7.6
149.05992	0.9
151.03949	0.4
151.07558	5.1
153.05489	2.7
154.06261	1.3
161.05966	0.8
163.03915	1.4
163.97729	1.2
165.05449	0.7
165.11058	1.3
166.05057	0.4
166.08669	0.6
167.07019	2.6
168.07755	0.4
174.89484	0.3
178.06305	1.1
179.07039	4.4
180.02832	0.3
181.08635	0.9
181.98824	0.4
183.06586	0.5
189.00728	0.5
193.08629	0.8
194.08090	0.5
196.07339	0.3
205.98737	1.4
211.06030	0.5
211.07784	0.5
211.09570	5.9
211.11513	0.9
211.14349	0.6
212.05579	1.1
212.09174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.53770	0.6
51.02385	0.7
51.66972	0.6
51.94123	0.6
53.03942	4.6
55.01878	10.8
55.05510	0.9
57.03425	0.7
65.03941	6.0
66.25741	0.7
67.05505	3.9
69.03432	1.2
69.07076	0.9
69.55467	3.4
70.06611	0.7
71.05004	1.9
71.29884	0.7
78.04732	2.9
79.05495	15.0
80.06263	1.2
81.03415	2.1
81.07076	3.6
84.12584	0.6
85.02908	1.4
90.04712	0.7
90.93402	0.8
91.05482	98.3
92.05833	1.8
93.07046	7.9
94.04177	2.0
95.04974	10.0
95.08617	0.9
97.06556	1.0
98.22642	0.9
103.05470	12.0
105.03386	15.0
105.04536	1.8
105.06329	0.7
105.07027	17.3
106.04201	2.1
107.04958	40.5
107.08579	1.0
108.05803	4.6
109.06522	22.0
109.10135	0.8
110.03585	0.7
111.04478	1.4
115.05460	2.3
115.46510	0.7
118.04185	5.2
119.04944	100.0
120.05205	1.1
120.05763	0.7
121.06509	30.2
122.03693	0.9
122.07325	1.6
123.04427	6.3
123.08079	9.6
124.05208	2.6
125.06007	1.7
131.04974	1.4
131.05974	0.8
133.06488	12.8
134.02615	1.0
134.03633	16.2
135.04399	2.9
135.08046	2.1
136.05203	2.8
137.05957	10.5
140.04680	2.2
146.03729	0.7
147.04411	16.1
148.04869	1.0
149.05984	32.4
150.06612	1.0
151.03876	2.0
151.07544	48.8
152.04662	1.7
152.07909	0.7
153.05467	21.5
153.06715	1.3
161.05971	7.1
165.05498	2.1
165.07025	0.8
165.09137	1.1
166.06293	2.5
167.07047	39.8
168.07832	15.2
179.07036	13.9
180.07826	1.1
181.08621	8.5
183.08067	0.8
193.08482	0.9
196.07310	4.0
203.19917	0.9
211.07591	1.8
211.09633	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01868	1.6
55.05507	1.5
57.03439	70.7
65.03939	1.1
67.05501	3.8
69.03527	4.9
69.07079	1.0
71.04999	1.2
78.04707	4.5
79.05494	3.3
80.05017	0.9
81.03410	2.5
81.07059	3.7
83.04979	1.7
83.08595	1.6
85.06517	1.0
91.04964	1.3
91.05484	17.7
93.07044	13.9
95.04966	6.6
95.08591	3.3
97.02872	1.6
97.06595	1.6
99.08079	0.8
103.05476	9.6
105.03411	0.7
105.04500	1.3
105.07043	5.5
106.04156	2.0
107.04967	1.6
107.08591	2.6
109.06526	3.1
109.10181	4.1
109.10807	0.8
115.05450	1.3
119.04949	12.4
119.05813	1.3
119.08583	1.3
121.06505	17.8
121.10133	1.7
121.14602	0.7
122.03638	0.9
123.04440	11.6
123.08028	1.0
123.11700	1.1
124.05205	3.1
125.09595	1.0
131.06052	1.4
131.08514	0.8
133.06508	3.2
133.10144	1.8
135.04430	1.0
135.11664	2.1
137.05983	13.8
140.04695	2.0
147.04396	1.3
149.05984	32.1
151.03914	3.6
151.07516	1.2
151.11163	0.9
152.04671	2.3
152.07076	1.3
155.06993	1.4
155.08444	0.8
161.06026	3.5
165.05545	1.5
166.06273	7.1
167.07043	100.0
168.05861	0.7
168.07379	2.4
169.10155	1.9
180.07823	2.4
181.08604	24.6
181.10008	0.9
183.11742	0.9
193.08531	1.7
193.12279	1.1
196.12555	0.9
207.15736	0.8
211.05916	1.5
211.07654	2.7
211.09657	6.0
211.11356	1.2
211.14835	3.4
212.09175	0.8
224.22287	0.6
233.69463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.01606	1.1
50.90897	0.9
52.47219	1.1
53.03952	4.3
55.01869	8.8
57.03426	1.7
57.43514	0.9
58.15622	0.9
64.84532	0.9
65.03939	5.4
67.05505	2.6
69.04700	7.7
71.05004	1.1
71.21545	1.0
77.03941	1.3
78.04705	2.0
79.05490	14.6
80.06263	1.0
81.03423	1.0
81.07053	2.4
82.07436	0.8
85.02901	1.5
91.05482	92.4
92.05790	1.5
93.03381	1.4
93.07048	8.7
94.04205	1.8
95.04971	8.7
95.08640	1.3
98.22569	1.7
103.05479	13.4
105.03400	13.8
105.04507	1.6
105.07026	15.1
106.04196	2.0
107.04954	38.9
108.05740	3.3
109.06522	26.0
115.05430	1.9
118.04139	4.7
119.04946	100.0
119.08552	1.2
120.05779	1.4
121.05633	1.9
121.06511	31.7
122.07294	2.9
123.04426	7.4
123.08082	11.8
124.05221	3.0
125.05948	1.0
131.04932	2.0
133.02910	1.5
133.06491	14.6
134.03639	15.9
135.04494	2.2
135.08070	2.3
136.05194	2.2
137.02351	1.1
137.05972	17.0
145.96722	0.9
146.03590	1.1
147.03221	1.0
147.04411	18.3
149.05984	35.6
150.06502	1.4
151.03938	2.5
151.07541	44.0
152.04700	2.5
161.05971	8.9
161.07062	1.1
165.05510	1.9
165.09143	1.7
166.06282	3.6
167.07043	45.2
178.21777	0.9
179.07037	13.7
180.07715	1.7
181.08598	9.4
193.08516	1.3
211.07552	3.0
211.09685	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	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45456	0.4
53.03955	0.4
54.59574	0.3
55.01871	1.1
55.05507	1.3
57.03441	3.3
59.05010	0.4
65.03947	0.7
67.05512	2.8
69.03429	4.5
69.07059	1.4
69.81255	1.7
71.04996	1.6
75.04475	1.1
75.41957	0.4
79.05489	1.4
81.07061	2.8
83.04988	1.1
83.08609	0.6
83.09364	0.4
85.02865	0.4
85.06538	0.7
91.05482	100.0
92.05817	2.2
93.07059	2.6
94.06565	0.9
95.04941	1.1
95.08604	4.2
97.02897	0.4
97.06525	1.0
99.04460	0.5
105.07040	1.6
107.08594	2.8
109.06519	1.1
109.10172	2.7
111.04475	0.7
111.08081	0.5
119.06046	1.5
119.08588	1.8
121.06538	1.0
121.10164	1.2
123.08040	0.6
123.11705	0.8
125.09633	8.2
127.11147	0.4
129.07019	0.7
131.08629	0.6
133.10121	2.4
137.05984	3.0
137.09622	0.6
146.51559	0.4
147.08081	0.5
147.11664	0.9
149.06032	0.7
151.07571	0.6
151.11214	0.9
155.08536	0.8
157.10109	0.4
166.09871	0.4
167.07039	2.5
169.10181	1.4
175.11198	1.0
175.14938	0.4
183.11639	0.5
193.08568	3.8
193.09959	0.4
193.12248	1.1
193.15944	0.7
195.09183	0.7
196.12646	0.5
211.07585	1.4
211.11224	1.0
211.14845	2.9
211.16867	1.0
212.11794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01877	0.5
55.05500	0.7
56.96558	0.5
57.03440	0.4
65.03936	0.6
67.05502	1.2
69.47307	1.9
71.05004	0.4
79.05480	1.9
81.03422	1.0
81.07058	1.8
83.04985	1.0
83.08592	0.5
83.74656	0.3
88.85812	0.3
91.05477	5.2
93.07037	0.8
94.04191	1.5
94.07374	0.4
95.04956	0.9
95.08597	1.3
97.06548	0.4
97.99123	0.3
105.07027	3.0
107.04926	0.4
107.08607	0.6
109.06537	2.9
109.10129	1.2
110.06058	0.5
114.47371	0.4
115.05487	0.4
119.04935	5.1
119.08591	0.5
121.06519	1.2
122.03651	6.0
123.08062	0.5
133.06508	2.3
137.05978	100.0
138.06329	2.2
147.04404	7.3
149.05986	0.5
151.07556	4.4
153.05489	2.9
154.06233	1.2
161.05974	0.8
163.03929	1.1
167.07066	0.6
178.06277	0.5
179.07063	4.9
193.08427	0.5
193.09961	0.4
196.07320	0.4
211.07721	0.9
211.09589	5.8
212.09187	0.5
213.12422	0.4
233.53589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.00309	0.2
53.03956	0.3
54.58855	0.1
55.01873	0.2
55.05514	0.4
57.03436	0.2
61.89627	0.2
65.03935	0.4
66.04732	0.2
67.05511	0.5
69.07066	0.3
70.62193	0.3
71.04972	0.2
71.92371	0.2
79.05498	1.3
81.03418	0.3
81.07047	1.0
85.72733	0.2
91.05480	4.3
93.07063	0.4
94.04185	1.5
95.04993	0.4
95.08615	0.5
103.05477	0.4
105.07028	2.9
107.04931	0.9
108.05755	0.3
109.06519	2.7
109.10172	0.2
115.05454	0.4
118.04214	0.2
119.04955	4.5
121.06535	0.9
121.07240	0.2
121.10190	0.2
122.03652	5.8
123.04455	0.2
123.08076	0.6
125.05983	0.4
125.09676	0.2
133.06485	2.1
136.05194	0.5
137.05977	100.0
138.06308	2.2
139.03937	0.4
147.04413	7.5
147.11844	0.2
149.06017	0.4
149.16618	0.2
151.07544	4.6
153.05478	3.0
154.06252	1.1
161.06021	1.0
163.03911	1.3
165.05492	0.3
165.09140	0.2
167.07065	0.2
167.08348	0.2
168.07500	0.6
178.06219	1.2
179.07036	5.8
180.83867	0.2
181.08656	0.4
193.08537	0.5
209.26532	0.2
211.08035	0.2
211.09625	6.4
211.11650	0.3
211.14714	0.2
212.16321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.10017	1.8
53.03944	5.9
55.01867	6.5
55.05513	52.1
57.03444	8.2
57.07091	2.7
58.07178	1.5
59.05013	1.7
64.31199	1.6
65.03943	2.1
67.05510	43.9
67.82263	1.5
69.03433	12.0
69.07067	17.4
70.18705	5.1
71.04990	9.2
76.61519	1.6
79.05499	39.0
80.05018	2.3
81.03423	100.0
81.07058	50.7
81.07524	2.9
83.04987	48.9
83.08624	39.4
85.02923	2.0
85.06544	4.5
86.06097	1.7
91.05483	45.6
92.05824	2.1
93.07053	22.3
94.06596	1.9
95.04979	32.1
95.08612	32.8
97.02901	5.1
97.06543	8.4
97.10182	12.5
99.08119	2.3
99.20203	1.5
105.07035	32.9
107.04977	6.6
107.08596	11.1
108.04588	1.8
109.06506	9.7
109.10166	13.4
111.04465	3.1
111.08081	9.9
119.04913	2.6
119.08611	24.8
121.06520	2.2
121.10159	10.7
123.08066	3.0
123.11710	2.9
125.09660	2.4
129.07019	12.4
131.08585	15.8
133.06505	5.2
133.10112	11.8
137.05989	31.0
137.09621	4.0
142.07733	2.8
147.04416	2.8
147.08057	2.6
147.11710	14.7
149.09634	7.1
149.13246	2.1
151.03989	1.9
151.07513	1.9
157.10136	14.1
165.12808	4.6
169.10120	1.6
175.11171	11.6
175.14841	11.6
179.06982	2.0
193.12242	32.9
193.15898	2.8
211.11150	3.5
211.13318	13.5
211.16879	3.2
212.09222	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	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.82219	0.8
55.05515	16.1
57.03434	1.4
57.07083	5.1
59.05009	1.6
67.05510	27.4
69.03433	10.5
69.07076	14.6
71.04987	5.0
71.08636	1.9
79.05508	4.6
81.07062	29.2
81.07526	1.9
83.04984	12.1
83.08624	9.0
84.48780	0.8
85.06546	4.9
91.05472	5.7
93.07056	10.1
95.04957	2.8
95.08610	40.2
97.06548	1.7
97.10193	4.2
99.08102	3.5
105.07040	6.3
107.08597	26.9
107.09279	1.7
107.62112	1.0
109.06526	14.1
109.10160	100.0
110.10524	1.5
111.08104	4.0
113.09663	1.9
119.08585	22.7
119.09442	1.2
121.10146	10.7
123.08069	15.7
123.11711	10.8
125.09660	1.7
127.11237	1.7
133.10139	18.4
133.82875	1.0
135.11702	59.8
137.06030	2.2
137.09628	15.5
139.11203	2.4
147.11740	1.7
149.05994	1.3
149.13281	3.6
151.11188	12.2
151.14818	12.9
152.68053	0.9
153.12737	2.6
155.08765	1.3
165.16423	1.8
167.06990	2.1
175.14842	19.0
193.15875	15.7
211.16936	2.2
229.06717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.4
55.01870	0.9
55.05513	20.0
56.90268	0.9
57.03433	2.9
57.07076	4.9
59.05000	2.9
61.99914	1.0
64.92231	0.9
65.03907	1.4
65.07816	0.8
67.05505	39.3
68.85059	0.8
69.03434	18.4
69.07068	18.1
69.36557	6.1
70.21627	0.8
71.05003	5.1
71.08634	1.8
79.05493	10.6
81.03420	7.1
81.07058	39.5
83.04987	18.1
83.08620	15.8
85.06551	6.7
91.05481	8.7
93.07043	16.3
95.04978	8.8
95.08609	59.6
97.06534	3.5
97.10172	2.9
98.23363	1.1
99.04471	1.6
99.08105	4.2
99.17589	0.9
105.07029	11.1
107.05022	1.1
107.08598	25.6
108.26283	1.0
109.06518	12.3
109.10155	100.0
110.10511	2.2
111.08087	4.6
113.09662	2.0
115.07549	1.1
116.14800	0.9
119.08583	27.5
121.10140	11.8
123.08068	14.9
123.11703	11.6
125.09643	10.3
127.11182	1.9
129.07001	1.6
131.08598	1.6
133.10136	20.7
135.11693	60.7
136.12065	1.2
137.09624	16.0
138.10393	1.1
139.11195	3.7
147.11713	4.1
149.13310	4.7
151.11183	10.3
151.14838	10.9
153.06966	0.9
153.12747	3.6
155.08636	2.1
163.14865	2.4
165.16397	2.5
167.07127	2.2
167.08533	1.6
169.10138	4.1
175.11252	1.3
175.14821	22.4
181.10246	1.4
183.11761	1.0
193.12236	2.9
193.15869	18.8
196.12437	1.8
211.07596	1.5
211.11331	1.6
211.13028	1.3
211.14833	5.2
211.16956	9.7
212.10818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03949	1.8
55.01868	1.5
55.05515	17.2
57.03429	1.2
57.07084	4.4
59.05012	1.8
65.03943	1.6
67.05508	29.6
69.03430	10.9
69.07075	17.6
70.91246	1.8
70.91570	1.0
71.04992	6.2
71.08652	1.0
76.85254	1.0
79.05501	6.8
81.07056	31.9
83.04989	14.2
83.08627	11.1
85.06540	4.4
91.05500	6.5
93.07049	12.7
95.04982	4.0
95.08607	38.5
97.06545	2.8
97.10175	1.8
99.08093	4.4
101.09676	1.0
105.07038	8.5
107.08601	23.5
107.09291	1.9
109.06522	13.1
109.10159	100.0
110.10490	2.1
111.08082	4.5
113.06004	1.2
113.09661	1.3
119.08581	25.9
121.10147	12.6
123.08074	14.1
123.11709	11.4
125.09599	1.7
127.11214	1.1
131.08569	1.2
133.10133	19.2
135.11699	61.9
136.12054	1.4
137.06020	2.0
137.09636	17.5
137.13271	1.2
139.11172	3.2
147.11713	3.9
149.13243	6.2
151.11189	11.0
151.14815	11.4
152.07079	2.6
153.12758	2.3
155.08568	1.0
165.16481	3.3
167.07069	2.5
169.10196	1.9
175.14839	19.2
175.16228	1.8
181.08640	1.0
193.12282	1.3
193.15901	15.4
211.11317	1.9
211.14822	2.5
211.16901	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60390	0.5
53.03942	1.0
55.01880	0.7
55.05513	14.8
55.16664	0.6
57.03423	1.0
57.07079	4.2
59.04996	2.5
65.03953	0.8
67.05506	30.9
69.03429	11.2
69.07070	18.1
69.16910	4.9
71.04994	4.7
71.08625	1.7
74.62419	0.7
79.05492	5.1
81.03429	1.0
81.07059	27.8
83.04986	13.1
83.08621	9.1
85.06543	4.6
91.05484	5.2
92.68236	0.6
93.07043	11.5
95.04955	3.3
95.08607	40.0
95.14567	0.7
97.06532	1.0
97.10136	3.4
99.08086	4.0
105.07024	7.8
107.08597	26.2
109.06528	12.4
109.10159	100.0
110.10506	1.6
111.08089	4.0
113.09691	2.0
117.07024	0.9
119.06152	0.8
119.08583	22.7
121.06472	0.7
121.10152	11.3
123.08069	16.2
123.11720	9.7
125.09609	2.3
127.11196	1.5
131.08556	1.0
133.10130	20.7
135.11697	67.3
136.12019	1.3
137.05971	0.9
137.09624	16.6
138.10402	1.0
139.11194	2.0
147.11710	1.0
149.13261	6.7
151.11186	12.0
151.13655	0.8
151.14825	10.8
153.12744	3.6
165.16415	2.1
167.07028	1.5
175.14822	19.7
181.10033	0.7
193.15887	15.9
194.16212	0.7
211.11322	0.8
211.14827	0.9
211.16879	1.7
215.69287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01868	1.5
55.05515	17.2
57.03429	1.2
57.07084	4.4
59.05012	1.8
65.03943	1.6
67.05508	29.6
69.03430	10.9
69.07075	17.6
70.91246	1.8
70.91570	1.0
71.04992	6.2
71.08652	1.0
76.85254	1.0
79.05501	6.8
81.07056	31.9
83.04989	14.2
83.08627	11.1
85.06540	4.4
91.05500	6.5
93.07049	12.7
95.04982	4.0
95.08607	38.5
97.06545	2.8
97.10175	1.8
99.08093	4.4
101.09676	1.0
105.07038	8.5
107.08601	23.5
107.09291	1.9
109.06522	13.1
109.10159	100.0
110.10490	2.1
111.08082	4.5
113.06004	1.2
113.09661	1.3
119.08581	25.9
121.10147	12.6
123.08074	14.1
123.11709	11.4
125.09599	1.7
127.11214	1.1
131.08569	1.2
133.10133	19.2
135.11699	61.9
136.12054	1.4
137.06020	2.0
137.09636	17.5
137.13271	1.2
139.11172	3.2
147.11713	3.9
149.13243	6.2
151.11189	11.0
151.14815	11.4
152.07079	2.6
153.12758	2.3
155.08568	1.0
165.16481	3.3
167.07069	2.5
169.10196	1.9
175.14839	19.2
175.16228	1.8
181.08640	1.0
193.12282	1.3
193.15901	15.4
211.11317	1.9
211.14822	2.5
211.16901	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	212.1069
Annotation	2-Methoxy-3-methylcarbazole
Peak:m/z	Relative Intensity
53.03935	0.9
55.05489	0.8
57.07075	0.9
65.03927	1.8
67.05508	9.0
70.01064	2.2
70.01416	0.6
72.04510	2.5
76.01888	0.8
79.05483	0.9
80.05012	1.4
89.03918	11.2
91.05466	2.5
91.46375	0.7
93.03393	2.6
94.06557	2.0
95.04962	2.6
97.02908	0.9
98.06042	1.9
103.05489	1.5
105.14915	0.6
115.05429	1.1
116.04978	37.2
117.05823	0.9
118.06562	5.3
119.07320	0.7
122.06017	1.7
122.46992	0.7
125.14970	0.7
128.06215	2.2
129.07007	1.6
134.05960	1.0
134.21837	0.7
141.06976	1.1
143.07271	1.1
146.06007	2.6
148.07512	0.7
152.06172	3.2
154.06509	2.5
155.07230	0.9
156.08057	3.1
164.07042	0.9
165.06967	3.6
167.07256	1.5
167.08572	2.6
168.08046	3.7
169.08890	1.4
178.06496	1.0
183.06702	1.0
184.07599	8.3
184.09319	1.1
184.11211	2.3
192.08051	1.1
193.08919	1.5
194.08092	1.0
196.07504	0.9
197.08321	1.0
212.10707	100.0
212.16415	2.3
212.20015	4.1
213.10892	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	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03949	2.7
55.01875	1.5
56.96574	9.4
57.03420	1.3
61.02935	9.2
65.03951	8.9
67.05507	3.3
68.05068	1.0
69.03433	3.9
69.07075	1.3
70.06599	9.2
72.08160	2.7
77.03909	1.5
79.05502	20.8
83.82455	0.8
84.08157	3.0
85.02921	1.0
85.08451	0.8
86.09710	6.4
89.03926	1.2
91.05489	4.5
93.03414	9.4
94.04202	1.1
94.90128	0.8
95.04990	4.4
97.06560	0.8
98.97596	3.0
105.03403	2.2
105.04543	1.9
107.04965	32.8
108.02124	3.7
109.06548	0.8
110.03675	25.2
110.07162	4.4
110.97537	0.9
111.04466	14.9
112.07610	19.6
113.07960	3.3
116.98630	2.4
117.03386	2.1
119.00193	0.9
119.01922	2.3
119.04991	1.7
121.06521	10.5
122.03654	6.5
123.09238	0.9
125.06005	69.1
125.06919	2.3
126.06315	1.3
128.98640	1.4
130.08644	10.7
133.02863	14.4
134.03624	1.0
134.99673	2.4
135.04430	33.0
135.09216	1.3
136.01616	1.0
137.05952	5.7
141.05510	3.1
143.00127	1.0
144.98167	0.9
146.99643	1.3
148.97385	1.2
149.05998	30.4
149.10767	0.9
150.03125	10.4
151.03928	100.0
151.05028	10.5
152.04285	1.7
152.07092	1.4
153.05495	15.0
156.03329	4.8
156.07693	1.2
158.06529	13.9
158.56773	0.8
159.06808	4.6
160.06369	1.5
162.03172	2.2
163.03918	8.9
165.00664	1.2
165.05493	40.4
166.05930	1.1
167.07068	18.9
168.03397	1.3
169.02823	0.8
169.04982	0.9
169.07602	0.7
169.57344	0.8
170.05927	1.5
172.95384	1.4
174.04424	5.8
176.07741	1.2
177.05487	20.2
177.07797	4.0
177.10295	2.1
186.04335	6.0
186.05753	0.8
188.92525	2.0
189.00681	1.1
189.07838	4.0
192.05429	0.9
195.06502	13.5
195.11337	0.9
196.06657	0.8
204.05470	6.1
208.99670	1.2
211.20473	0.7
213.00313	1.0
213.07796	16.0
213.12398	2.7
214.07504	3.3
231.09000	8.7
232.08366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02380	1.3
53.03951	4.7
54.88301	0.8
55.01866	3.8
55.05503	3.7
55.48866	0.8
56.96555	2.7
57.03440	1.2
61.02705	0.8
61.02929	9.3
64.55308	1.0
65.03943	9.6
65.71191	1.0
67.05499	5.2
69.03411	1.9
69.07055	4.2
69.72434	0.8
70.06596	12.5
70.94228	1.0
71.01330	1.0
71.05006	1.1
71.30589	1.0
72.08157	11.7
77.03935	0.9
79.05493	22.5
81.03412	3.9
81.07068	1.9
82.06598	0.9
83.04972	1.0
84.04527	1.4
85.02898	2.0
86.09712	13.8
89.03912	2.2
91.05476	7.9
93.03421	6.9
93.07057	1.8
95.04963	8.4
95.08624	2.0
97.02902	1.9
97.06499	1.6
98.97586	1.5
103.05470	2.3
105.03370	2.6
105.04519	2.1
107.04954	31.7
107.08600	2.1
108.02092	1.6
109.02878	4.8
109.06504	1.4
110.03655	29.4
110.06056	1.5
111.04449	14.4
115.05440	3.1
116.07080	1.2
116.98636	2.4
117.03371	2.2
119.04953	2.1
121.06511	11.8
121.10170	1.2
122.03668	6.0
122.09669	1.0
123.04418	2.1
123.08005	1.1
125.05996	60.5
125.09669	1.1
126.06347	1.0
127.03903	4.2
128.06233	8.3
129.07031	4.2
130.96317	1.6
133.02840	12.2
135.04419	25.8
135.09192	1.4
137.02974	1.0
137.05997	5.9
137.06880	1.0
139.05449	1.8
139.07562	1.2
140.03447	1.5
141.05443	3.4
141.06969	3.5
142.07770	2.1
143.07037	1.7
145.06438	1.5
148.97377	3.7
149.05988	23.2
149.09616	1.6
149.10722	1.6
149.93103	0.9
150.03111	9.8
151.03914	100.0
151.05009	11.1
152.04283	1.7
152.06174	1.9
153.05466	17.6
153.06755	1.4
155.06050	1.3
157.06479	9.5
162.03094	2.4
163.03903	9.1
165.05479	38.8
167.07040	14.6
167.08383	1.9
171.08012	2.2
177.05452	19.1
177.10349	1.2
185.05988	1.6
185.09528	1.6
185.16512	1.5
195.06509	13.9
195.08168	1.4
195.11403	1.5
213.03645	1.3
213.05566	14.4
213.07468	3.5
213.09230	10.1
213.12459	5.0
213.16277	1.4
214.10718	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03940	3.1
55.01871	16.4
55.05512	85.9
57.03408	1.7
57.07048	1.7
59.04992	1.2
67.05505	30.0
69.03429	9.1
69.07067	16.6
71.04993	67.7
79.05495	23.3
81.03403	3.7
81.06593	1.2
81.07059	34.0
83.04968	9.0
83.08620	45.0
85.06552	6.7
87.03987	1.2
87.04469	12.2
89.86521	1.1
91.05479	8.3
93.07040	21.9
95.04985	1.8
95.08050	1.2
95.08605	11.6
97.06530	100.0
97.10169	66.8
98.06848	1.3
98.23392	1.9
101.09638	2.6
105.07048	5.4
107.08591	21.7
109.06479	2.4
109.10161	15.2
111.08054	5.2
113.05944	1.6
117.06989	5.0
119.08557	2.7
121.06471	1.7
121.10119	2.1
123.11662	1.4
125.09626	43.3
128.06184	3.1
129.06932	3.0
131.08559	5.3
133.10077	5.1
135.08086	7.0
135.11688	5.9
137.91171	1.1
142.07724	1.5
143.08575	14.3
143.10646	1.4
147.11624	1.8
149.09590	1.4
149.13190	3.1
151.55942	1.3
153.09059	2.5
155.08472	2.5
157.10159	6.3
159.11652	3.5
170.10916	2.1
171.11652	3.9
177.12746	6.6
185.09491	1.3
189.11198	10.1
195.13797	42.6
204.34142	1.2
213.12839	4.2
213.14774	96.1
213.16441	11.1
214.15147	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	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03946	3.3
53.76981	1.4
54.62281	1.6
54.62561	1.5
55.01868	2.2
55.05515	20.7
57.03426	8.0
57.07078	2.2
58.45593	1.5
63.75709	1.3
65.03927	3.7
67.05510	73.3
69.06736	1.7
69.07079	23.7
69.45434	8.2
71.04993	5.4
71.08630	2.0
79.05502	42.5
81.07062	100.0
83.04983	6.5
83.08634	20.8
85.06561	4.7
88.07619	1.5
91.05489	24.8
93.07049	65.2
95.04974	6.0
95.08602	28.5
97.06547	12.4
98.22739	3.0
99.08099	3.7
105.07033	8.1
107.08602	32.0
109.06548	2.2
109.10152	3.2
111.08091	8.0
117.07021	12.1
119.08659	2.1
121.10128	14.4
123.11684	4.3
129.07021	1.9
131.08557	11.1
133.10130	13.1
135.11699	15.3
138.13431	1.8
149.13269	35.8
157.10156	2.8
159.11678	16.2
171.11737	2.3
177.10381	1.7
177.12740	6.3
195.13852	5.5
213.16417	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03945	3.9
55.01885	3.5
55.05515	23.1
57.03437	8.8
57.07075	4.2
65.03957	2.1
66.15947	1.1
67.05506	71.9
68.68896	1.2
69.07071	25.9
70.45031	2.5
70.45383	1.5
71.05010	6.8
77.03909	1.5
79.05495	41.4
81.03430	2.2
81.07056	100.0
82.07404	1.5
83.04977	7.7
83.08620	19.4
85.06551	3.6
85.30194	0.9
91.05479	29.2
91.06004	2.2
93.07045	53.6
95.04974	5.4
95.08614	24.6
95.09219	1.6
97.06538	8.9
97.10175	2.2
99.04459	1.2
99.08090	2.7
102.73773	1.2
105.07032	9.6
107.08598	30.8
108.69966	1.0
109.06543	2.4
109.10146	3.1
111.08087	7.7
117.07008	13.6
119.08604	4.3
121.06518	2.0
121.10124	13.5
123.11736	3.7
125.09666	1.1
127.03889	1.7
129.07008	2.9
131.08582	15.7
133.10141	14.8
135.08086	1.7
135.11685	12.2
142.07799	1.4
143.08574	3.2
145.10120	10.0
149.09668	1.2
149.13264	31.4
149.14476	1.8
151.11238	1.7
157.10092	5.4
159.11714	14.5
167.14366	1.5
167.94287	1.2
171.11705	7.8
177.12776	6.8
185.13310	1.5
195.13768	5.8
213.13081	1.5
213.16370	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03952	4.6
55.01867	6.8
55.05514	52.6
57.03433	6.1
57.07076	12.2
59.05000	5.7
61.05214	1.8
63.82676	1.8
67.05502	25.7
68.99788	5.3
69.03426	7.9
69.07067	100.0
69.13038	15.4
70.06583	2.5
70.07389	2.2
71.04990	20.3
71.08608	3.5
71.39639	1.6
72.05177	1.8
79.05488	15.9
81.03416	7.8
81.07055	72.2
83.04984	11.6
83.08619	22.7
85.02917	4.1
85.06541	37.0
91.05484	10.4
93.07044	38.1
95.04976	3.9
95.08607	96.4
97.02889	2.1
97.06529	7.7
97.10172	20.9
99.04464	2.6
99.08093	26.4
103.05478	1.9
105.07034	8.7
107.08594	64.2
108.08936	2.4
109.02866	4.7
109.06514	2.2
109.10154	40.6
110.03619	2.7
111.08108	8.7
111.11732	10.0
111.12459	1.5
111.13454	1.9
113.09657	13.2
115.05424	2.2
117.07049	3.2
119.08585	5.9
121.10143	72.4
123.04405	1.8
123.11703	15.0
125.09629	9.9
127.03907	10.4
127.11188	2.2
128.06229	4.2
129.07011	7.5
131.08553	2.4
133.10120	2.6
135.11693	41.2
137.13255	35.0
138.99422	2.0
139.11159	14.3
141.06998	2.3
141.50986	1.7
142.07788	7.5
143.08556	14.2
145.10118	2.3
149.13255	8.3
151.14835	4.7
153.12746	10.9
155.08508	1.8
156.09337	5.3
157.10112	24.4
167.08562	2.5
169.10133	3.5
170.10938	3.6
171.08147	2.7
171.11697	16.7
177.16389	75.0
178.16634	2.9
183.11630	3.4
184.02110	1.8
185.09660	4.4
185.13313	2.8
187.66985	2.0
195.11462	2.1
195.17451	14.9
197.09717	2.0
209.68735	1.9
213.03761	3.0
213.05550	3.8
213.09193	11.8
213.12643	9.3
213.16386	29.4
213.18495	5.5
214.16776	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01869	5.7
55.05518	48.2
57.03430	5.2
57.07077	14.9
59.05005	6.8
60.12075	2.0
65.03953	3.1
67.05514	30.0
69.03424	9.8
69.07069	100.0
70.06596	3.9
70.07399	3.0
71.04646	2.4
71.04989	16.1
71.08618	3.2
71.30808	4.1
79.05486	18.1
81.03425	9.3
81.06581	3.6
81.07061	66.7
83.04961	8.2
83.08617	25.1
85.02914	4.3
85.06547	35.4
87.00832	3.9
91.05495	12.7
93.07049	40.8
94.15895	2.1
95.04950	3.3
95.08611	97.1
97.02886	3.2
97.06518	7.8
97.10169	21.7
99.08092	24.8
103.05466	2.5
105.07023	12.0
107.08598	60.1
108.08960	2.7
109.02872	9.3
109.10172	38.4
110.16660	2.3
111.08085	7.3
111.11738	10.9
113.09686	13.6
115.05452	5.2
117.07009	3.3
119.08598	8.0
121.10152	71.6
123.11715	12.8
125.09628	14.3
127.03929	12.5
128.06216	10.7
129.07022	15.6
131.08589	4.9
133.10156	3.9
135.11700	38.4
137.13266	33.7
139.11203	16.2
141.06990	8.0
142.07779	12.4
143.08577	24.9
145.06512	2.1
145.10109	7.0
149.13248	7.8
151.03941	2.4
151.14832	4.9
152.06276	3.7
153.07025	2.8
153.12766	12.1
154.25491	2.6
155.08600	4.2
156.09294	5.4
157.06522	4.4
157.10110	32.2
159.11742	3.8
159.74512	2.3
165.06979	7.0
167.71222	2.4
169.10123	6.3
170.10927	4.8
171.08005	6.1
171.11710	28.0
177.16402	79.0
180.09294	3.0
184.08841	3.1
185.07175	3.0
185.09595	4.4
185.13225	9.5
195.11671	7.0
195.17416	16.0
198.10455	3.9
201.99110	2.2
213.05534	7.4
213.09142	15.1
213.12827	29.7
213.16428	56.6
213.18440	8.9
214.16638	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	214.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62135	0.5
56.96567	11.4
67.05484	0.7
69.07072	6.4
69.57168	2.4
70.06578	0.6
70.73006	0.6
70.98125	1.4
71.95262	0.8
72.08155	1.5
72.44601	0.6
77.00906	0.7
82.99828	3.8
86.09707	100.0
87.10041	0.8
97.06535	10.3
98.97588	14.9
100.02477	2.2
100.99159	1.0
101.00885	35.2
102.00981	0.9
110.97542	0.9
112.02454	1.3
113.00881	1.0
116.98635	5.8
118.03526	7.5
119.01923	90.8
120.01981	3.3
128.98618	1.4
130.03517	3.9
130.93245	1.0
131.01920	5.2
134.99661	2.5
136.04536	1.9
137.02959	20.7
138.03032	0.9
142.03535	1.2
144.05075	2.7
144.08711	2.6
146.99609	1.1
149.02943	2.3
154.03462	2.4
155.05537	2.2
162.09735	3.0
165.00735	1.0
168.08681	4.7
170.04269	0.8
172.04530	4.4
172.08218	0.8
172.94389	1.4
172.97624	0.8
173.02968	1.4
173.06651	3.0
186.09758	70.5
187.09875	4.0
190.95370	0.9
190.98607	1.7
191.04019	2.3
191.07664	1.7
196.08142	2.2
197.06563	5.1
204.10817	30.3
205.11058	1.4
208.99702	0.8
214.09248	31.9
214.95412	0.9
215.07608	5.5
215.09442	1.9
216.98727	1.1
226.65828	0.7
232.10309	76.6
232.96335	3.2
233.08635	2.8
233.10706	3.6
234.99779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.253
Annotation	Medelamine A
Peak:m/z	Relative Intensity
50.67353	2.7
56.96558	3.8
57.07081	84.5
62.98251	2.7
69.48715	4.6
69.49113	9.4
70.06566	2.8
71.08636	51.0
74.09721	7.0
80.05022	2.5
80.94850	6.0
85.10193	22.7
87.62645	2.3
90.85138	2.4
91.05516	3.6
98.23396	2.8
108.06863	3.7
109.07693	3.3
116.10664	2.7
131.19606	3.2
137.07146	14.6
150.96881	4.1
153.74165	2.6
179.08200	3.5
197.09221	3.9
214.10745	6.5
214.21739	10.4
214.25307	100.0
215.10515	8.0
215.25601	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	216.1595
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
52.87443	0.2
55.01879	0.7
55.05511	1.6
57.07073	1.2
61.02943	0.5
69.52302	0.6
69.52708	0.8
72.04523	0.3
73.02894	0.4
83.04977	1.7
86.06068	1.0
86.09702	100.0
86.21252	0.3
87.10032	1.3
89.06030	0.5
98.23329	0.6
101.06030	1.1
104.10329	0.3
111.04436	2.8
113.05978	0.4
116.10735	0.7
127.07568	0.5
128.10712	51.1
129.05489	0.4
129.11058	0.9
142.12225	0.5
155.07021	3.2
164.62300	0.3
170.11757	45.9
171.12073	1.3
173.08090	1.9
174.14894	6.9
216.07922	0.3
216.15991	0.8
217.08841	0.3
217.10652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1588
Annotation	Orobanone
Peak:m/z	Relative Intensity
53.36873	9.1
53.90961	9.8
55.05507	18.7
57.07091	10.2
59.04994	10.7
69.07060	13.9
69.39545	18.7
69.39948	43.8
79.05521	12.6
81.07057	39.4
83.04996	18.5
91.05473	14.3
93.07049	17.3
95.08634	30.2
98.23346	11.2
101.05997	9.8
105.07027	54.9
107.08591	17.2
109.06522	13.9
109.07692	9.8
109.10126	12.1
111.04419	15.0
119.08579	39.6
121.10161	31.3
129.05542	9.1
129.07053	11.9
133.10127	36.1
143.08592	28.1
145.10117	16.1
147.08066	15.5
147.11684	15.1
155.07013	25.6
157.10159	50.7
159.11705	28.9
161.09634	56.3
171.11691	14.9
172.42690	9.7
173.13203	10.2
175.11249	26.7
188.05354	9.5
189.16420	14.6
199.14824	64.5
217.10530	24.3
217.15918	100.0
217.19510	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	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03952	16.3
55.01869	7.1
55.05510	50.0
57.03441	1.6
59.04987	4.4
60.44928	1.1
63.00824	1.1
65.03926	2.7
67.05503	13.9
69.03426	18.4
69.07079	9.7
71.04993	24.8
73.02917	1.4
78.96398	1.0
79.05487	22.1
81.03420	11.7
81.07059	15.0
82.26289	1.2
83.04980	63.9
83.08630	5.8
85.06550	5.4
87.04465	7.5
89.02399	7.1
89.06033	9.1
91.05482	22.4
93.07040	20.6
95.04959	5.6
95.08598	16.7
97.06511	4.6
98.22543	2.3
99.04447	4.7
101.06013	23.3
103.05457	4.0
105.07025	34.8
107.04922	4.1
107.08596	19.1
109.02880	7.1
109.06521	6.9
109.10149	5.2
111.04438	82.3
111.08107	5.2
112.04787	2.6
113.06000	11.0
115.05421	5.4
117.07001	7.7
119.08578	31.6
120.08854	1.2
121.06481	6.4
121.10124	12.2
123.08082	10.5
125.09507	1.3
127.03918	1.6
127.07566	13.3
128.06233	9.8
129.05496	14.8
129.06985	14.6
130.07796	2.3
131.04913	1.5
131.08549	15.9
133.06500	4.4
133.10133	26.7
135.08038	5.5
135.11670	1.9
137.05975	4.1
137.09619	1.6
141.06966	4.0
142.07774	10.1
143.08572	14.4
144.09299	3.1
145.06456	3.5
145.10107	13.2
147.04411	1.3
147.08040	9.5
147.11693	11.1
149.09595	2.5
150.32036	1.2
155.07027	95.7
156.05757	2.7
156.07355	3.7
156.09326	4.6
157.06454	1.5
157.10120	22.5
159.07970	1.7
159.11681	19.2
160.05193	1.1
160.12102	1.2
161.09663	10.6
161.10921	1.6
161.13287	3.4
165.07011	1.4
169.10121	2.2
170.10925	1.9
171.08037	3.3
171.11720	10.5
172.05205	1.2
173.08104	50.6
173.09576	4.2
173.13217	7.2
175.11162	5.5
175.14789	18.5
187.07521	1.4
187.14780	4.1
189.12755	3.6
189.16321	9.0
199.07820	1.4
199.09586	6.6
199.11243	3.0
199.14810	18.6
217.08601	4.6
217.10661	41.3
217.12344	15.0
217.15857	100.0
218.10889	1.8
218.16234	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	217.1589
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
53.03949	1.7
55.01864	3.2
55.05514	32.3
57.07073	2.4
59.05004	3.5
59.80846	0.6
62.99398	0.6
65.03952	1.8
66.48679	0.7
67.04179	0.7
67.05513	9.3
68.68822	0.6
69.03434	5.6
69.07071	10.0
69.27930	3.5
69.28339	1.1
71.04993	3.4
73.02921	2.2
75.40491	0.7
77.03918	1.3
79.05492	9.8
81.03403	0.8
81.07065	16.5
83.04987	42.2
83.08621	6.4
85.06542	4.7
87.04470	4.4
89.02407	4.0
89.06036	5.9
91.05487	20.5
93.03398	2.1
93.07053	22.6
95.04980	6.8
95.08605	15.3
97.06519	6.0
97.10147	0.8
99.04480	2.4
101.06028	12.8
103.05467	1.8
105.04490	0.8
105.07037	38.9
106.07368	1.0
107.04963	4.1
107.08603	18.9
107.56522	0.9
109.02882	0.9
109.06528	7.4
109.10192	5.1
111.04451	50.6
111.08115	3.5
112.04725	0.9
113.05981	5.2
115.05482	3.5
116.06236	0.9
117.07018	6.2
119.04962	1.6
119.08586	27.7
121.06516	9.2
121.10153	8.8
123.08105	5.1
127.07566	7.7
128.06224	7.2
129.05501	9.7
129.07001	8.0
130.07790	1.0
131.04938	0.7
131.08571	17.7
132.05760	1.2
133.06479	2.5
133.10139	25.7
135.08064	2.5
135.11700	1.9
137.05995	2.2
137.09607	2.8
141.06989	1.6
142.07771	6.1
143.08588	13.9
144.09366	1.2
145.06487	2.0
145.10126	12.1
146.07272	1.7
147.04361	0.8
147.08073	9.6
147.11694	9.2
149.09637	3.4
155.07040	67.4
156.05733	5.5
156.07344	1.8
156.09312	2.4
157.06508	1.2
157.10146	14.5
158.07231	1.1
158.10825	0.8
159.08040	1.4
159.11723	12.4
161.06030	0.9
161.09639	13.4
161.13235	4.2
165.06953	1.1
169.10167	0.9
170.10930	0.8
171.08012	1.7
171.11708	7.0
173.08127	35.1
173.09583	3.2
173.13251	10.0
174.08484	0.9
175.07539	1.0
175.11278	5.4
175.14832	26.5
176.15202	1.4
181.10207	1.3
184.05232	0.8
184.12506	1.7
189.09125	1.5
189.12735	2.8
189.16402	15.4
199.07710	1.2
199.09512	3.8
199.11189	3.2
199.14830	17.8
200.15169	0.8
202.06206	1.3
214.20538	0.7
217.08560	5.9
217.10684	24.9
217.12355	11.9
217.15884	100.0
218.16179	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05513	22.2
55.43150	2.6
62.97850	2.3
67.05505	23.3
69.07074	44.7
70.52200	3.1
70.52522	4.4
79.05499	13.1
81.07060	30.0
83.04967	5.3
83.08619	7.9
91.05509	16.6
93.07045	26.3
95.08603	47.0
95.44608	2.5
97.10174	6.7
105.06367	4.6
105.07034	54.4
107.08599	45.5
109.10155	40.8
111.04449	4.7
111.11731	9.9
119.07777	5.0
119.08583	67.9
120.09383	4.0
121.10149	54.7
123.11697	17.1
128.40054	2.4
133.10129	35.7
135.11714	10.4
147.11687	44.5
147.12761	4.4
155.06998	10.0
159.11708	3.1
161.13260	48.1
173.08157	2.8
173.13280	2.7
175.14824	25.8
176.15643	3.5
189.16371	8.7
217.10503	6.1
217.16267	4.5
217.19522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81858	21.5
69.77430	100.0
69.77779	32.8
78.18911	21.7
84.90929	24.2
99.02501	22.0
104.51917	29.9
140.54698	22.6
156.82372	23.2
171.01733	24.8
219.02763	45.3
238.46808	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.2
55.05503	0.9
61.02930	26.8
68.71925	0.9
69.82349	3.9
71.01360	43.2
75.04485	58.0
84.99243	1.5
87.04476	19.3
89.02386	9.6
98.02460	1.0
98.22694	1.6
98.97595	1.0
101.06046	1.0
103.03947	74.2
104.38370	0.8
131.03412	12.9
133.10165	1.2
159.02896	100.0
159.35295	0.7
160.03305	1.6
187.02388	10.2
203.14281	2.0
219.04961	7.6
219.17453	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.84026	0.8
55.01882	5.1
55.05500	2.8
56.05030	0.8
56.96298	1.3
56.96564	24.6
57.03432	2.3
59.04984	2.6
60.95855	1.3
61.02922	6.1
63.07054	1.0
68.99783	5.0
69.03426	5.3
69.07084	1.2
70.44656	1.9
70.44997	1.0
70.98118	2.0
71.01356	61.3
71.04966	1.0
71.95249	3.2
72.01698	1.0
72.08140	3.8
73.02926	5.9
75.04483	12.7
79.05484	1.3
81.03442	1.8
81.07042	1.5
83.04944	1.6
84.08131	5.6
84.96041	13.6
85.02901	10.3
85.08419	1.0
86.03239	2.6
86.09717	4.3
87.04449	2.0
90.05537	1.1
91.05472	3.8
93.07026	1.7
97.02879	6.9
98.97585	100.0
99.00793	2.6
99.97897	1.1
100.97056	0.8
100.99149	1.2
101.00871	3.5
101.02370	3.6
102.97009	2.0
103.00605	3.2
103.03942	19.7
105.02197	0.9
105.07021	2.4
107.04906	1.3
107.08615	1.2
109.06419	0.8
110.97570	6.0
111.00838	5.3
112.04774	0.8
112.99140	5.5
113.02352	1.9
115.00717	0.9
115.02348	0.8
116.98624	55.1
117.01833	6.6
117.06990	0.8
119.01908	10.8
119.04947	2.0
119.08590	3.5
120.01996	1.3
120.08098	1.1
120.98059	1.2
121.01656	6.9
121.10150	3.6
123.07953	1.0
127.00265	6.2
127.01569	1.1
127.03915	2.1
128.98608	6.7
129.01816	4.6
130.08670	1.0
131.00180	6.5
131.01859	3.0
131.03400	35.1
133.01692	3.4
133.03471	1.5
133.04961	1.8
133.06503	1.7
133.10095	2.0
134.99660	24.2
135.04353	0.8
137.02946	3.1
137.05945	2.8
139.02679	1.5
141.01819	3.4
142.02606	1.2
143.00153	2.0
143.01851	1.7
143.03442	1.0
145.01337	7.1
145.03479	1.3
145.04948	5.5
145.10097	1.9
146.99690	4.8
147.03201	6.1
147.04417	4.0
147.05731	1.2
147.11703	1.3
148.03899	2.5
149.01195	5.1
149.02913	1.0
151.02731	1.4
153.00710	2.4
157.04948	8.2
158.99681	13.1
159.02887	37.3
160.00060	1.0
160.07674	4.8
161.01253	1.5
161.02992	3.2
161.09584	1.1
161.13237	1.7
165.04292	3.6
170.99721	1.1
173.03004	2.0
173.04520	1.0
173.06445	1.3
174.09189	1.5
175.02731	1.1
175.14861	1.0
177.00745	29.4
177.02350	1.2
177.04167	5.0
178.01082	1.2
188.11870	1.0
189.00607	2.0
190.95453	1.2
191.02243	2.3
191.03975	0.9
195.01736	5.5
195.03542	1.9
195.05339	9.2
201.00752	2.3
201.02480	5.0
202.08633	1.4
203.14330	17.1
205.15901	2.7
207.01790	0.8
208.05032	2.0
208.06955	0.9
213.06450	1.3
214.05754	1.1
217.05688	1.6
219.01755	10.2
219.03548	5.7
219.05388	3.8
219.07013	1.7
219.11433	5.2
219.17444	51.3
220.02126	1.5
220.04086	1.3
220.05997	4.7
220.11823	1.8
232.96440	1.0
236.99130	1.8
237.02757	7.7
237.06422	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	219.1015
Annotation	Toxol
Peak:m/z	Relative Intensity
51.61940	1.2
53.03939	1.5
55.01869	2.7
55.05513	8.4
55.75494	1.2
57.03430	2.4
57.07066	2.2
63.63453	1.4
65.26152	1.3
65.78440	1.3
67.05509	16.4
69.03082	2.1
69.03429	33.3
69.07084	7.7
71.04994	56.1
77.03909	1.9
79.05495	13.5
81.03438	2.1
81.07058	22.6
83.04978	3.9
83.08618	3.0
85.06537	8.1
91.05480	33.9
93.07033	17.1
95.04978	3.4
95.08611	13.5
97.06532	4.9
103.05439	5.6
105.07027	36.0
107.04980	2.6
107.08599	15.7
109.06525	3.8
109.10147	8.2
111.08086	3.0
115.05443	15.9
116.06240	5.5
117.06998	12.0
119.04930	1.8
119.08574	18.8
121.06480	5.4
121.10155	12.4
123.08073	4.1
123.11732	2.1
125.09652	6.7
128.06226	13.0
129.07005	49.5
130.04144	2.0
130.07765	5.2
131.04941	9.4
131.08563	55.5
133.06477	2.2
133.10135	37.3
135.08076	7.1
135.11685	4.8
137.05951	4.9
137.09569	3.0
140.06209	1.6
141.06990	41.5
142.07765	1.7
143.04959	3.3
143.08527	4.9
144.05708	8.3
145.06497	12.1
145.10114	18.4
146.07245	6.0
147.04332	1.6
147.07996	3.0
147.11694	8.2
149.09608	11.2
151.07526	1.9
155.05998	3.2
155.08505	2.3
157.06476	25.8
157.07692	1.8
158.07269	24.9
159.04401	5.6
159.08067	31.1
159.11691	17.9
160.05196	5.1
161.09589	6.7
161.13242	7.6
163.07516	3.4
163.11169	5.9
169.06465	19.0
169.07719	2.6
170.07245	5.5
171.08028	2.2
173.05994	7.6
173.09607	2.0
173.13263	6.1
174.06757	78.3
175.07529	12.8
175.14827	4.3
177.12631	1.7
185.05949	1.5
186.06764	22.2
187.07439	2.0
188.08331	4.9
189.09103	100.0
190.09492	3.5
191.06926	2.3
191.08578	2.4
191.10631	7.9
201.09108	46.6
201.12730	2.0
201.16379	18.7
203.14342	6.8
219.08192	4.4
219.10149	96.2
219.13544	12.8
219.17419	60.2
220.10439	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05510	3.1
57.03434	1.2
67.05496	2.3
69.03416	1.8
69.83010	1.9
71.04989	4.1
77.03898	0.9
79.05495	2.3
81.07058	2.1
83.04987	1.4
85.06515	1.0
86.86947	0.9
91.05474	17.5
93.07036	4.2
95.04956	1.5
95.08607	3.1
98.23287	1.1
103.05449	2.9
105.07043	9.9
107.08593	3.5
109.06532	0.9
109.10138	2.7
111.08066	1.5
115.05456	12.3
116.06222	3.4
117.07035	4.8
119.08572	3.2
121.06513	1.1
121.10152	4.2
123.08083	0.9
127.05473	0.9
128.06210	11.1
129.07004	45.0
130.04146	1.0
130.07803	2.7
131.04939	9.3
131.08571	42.5
132.05682	1.1
132.08864	1.0
133.06447	1.4
133.10133	21.1
135.11676	1.6
137.05997	4.5
141.06992	40.1
143.04886	2.4
143.08534	3.6
144.05679	6.9
145.06476	8.6
145.10117	4.7
146.07271	6.5
147.08020	1.1
147.11682	3.4
148.05176	2.0
149.09599	1.2
155.06029	1.6
155.08546	1.4
156.05666	1.3
157.06499	22.0
158.05894	0.9
158.07280	25.0
159.04431	4.8
159.08052	30.4
159.11644	5.5
160.05188	7.4
161.05925	1.1
161.09633	4.3
161.13268	2.1
163.07489	1.5
163.11169	1.8
168.05809	1.9
169.06468	14.9
169.07672	2.1
170.07265	8.4
171.04280	1.1
171.08009	1.1
173.05983	5.2
173.09569	1.5
173.13304	1.8
174.06760	82.1
175.07521	13.8
185.05998	2.1
186.06761	19.9
187.07457	2.5
188.08331	4.6
189.09103	100.0
190.09483	3.0
191.07092	1.3
191.10693	7.1
201.09102	41.4
201.16382	5.0
202.09439	1.1
202.33392	0.9
219.10162	97.9
219.13716	3.6
219.17433	13.0
220.10521	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	219.1016
Annotation	Toxol
Peak:m/z	Relative Intensity
52.22749	0.9
52.43892	0.8
53.03967	1.3
54.11259	0.9
55.01870	2.3
55.05512	6.9
56.39410	0.8
57.03440	2.5
57.07055	1.2
59.05006	0.9
65.03934	1.1
67.05505	10.6
69.03433	42.5
69.06722	0.8
69.07060	5.9
70.63815	2.0
71.04994	63.3
79.05492	8.8
81.03417	1.2
81.07062	14.5
83.04973	3.3
83.08611	1.5
85.06544	8.4
87.04451	1.3
91.05479	31.7
93.07038	15.7
95.04965	3.9
95.08606	13.0
97.06542	4.8
101.19048	0.8
103.05460	5.9
105.07030	39.5
107.04948	2.1
107.08601	12.7
109.06508	2.9
109.10152	5.0
109.28005	0.9
111.08060	2.5
113.09614	0.9
115.05457	13.6
116.06242	5.2
116.07001	1.0
117.07031	13.2
117.76015	0.7
119.04929	1.7
119.08582	26.0
121.06503	4.1
121.10149	9.2
123.08094	4.1
123.11712	1.5
125.09615	5.7
128.06233	13.3
129.07005	57.7
130.04143	1.7
130.07884	4.3
131.04927	12.9
131.08571	53.2
132.08829	1.1
133.06497	2.2
133.10133	47.7
135.04376	0.8
135.08073	5.6
135.11707	3.4
137.05968	3.3
137.09575	1.9
139.11238	1.2
140.32362	0.9
141.06990	41.7
142.07310	0.9
143.04897	2.2
143.08542	3.9
144.05690	8.9
144.09334	2.0
145.06482	11.5
145.10123	15.4
146.07240	7.0
147.08064	2.0
147.11667	6.5
148.05159	1.7
149.09633	12.7
149.13202	1.1
151.07521	3.5
151.11160	1.6
153.07008	1.6
155.06001	2.0
155.08481	1.6
157.06487	26.2
157.07710	1.9
157.10078	1.1
158.07277	26.8
158.10832	1.3
159.04424	4.5
159.08063	30.3
159.11693	18.1
160.05208	6.5
160.12021	1.5
161.05933	1.7
161.09627	5.1
161.13255	6.9
163.07506	3.6
163.11174	3.8
168.05707	1.3
169.06473	18.4
169.07655	1.5
170.07272	7.9
171.07933	1.1
172.08691	1.4
172.66335	0.9
173.05975	8.9
173.09608	3.5
173.13289	7.3
174.06767	89.9
175.07541	13.5
175.14816	3.1
176.08305	0.9
177.12772	2.7
183.11685	1.6
186.06767	20.5
187.07501	4.7
188.08321	4.1
189.09106	100.0
190.09517	3.4
191.06949	1.6
191.10690	7.4
191.14294	2.8
201.09111	42.6
201.12698	3.7
201.16393	13.2
202.09502	1.2
203.14320	5.3
205.15865	1.6
219.10156	86.3
219.13487	11.9
219.17416	48.4
220.10541	2.9
220.17802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03944	2.5
55.01864	1.5
55.05500	4.1
57.03437	1.8
57.07057	2.4
67.05505	7.1
68.71191	1.3
69.03429	14.2
69.07058	4.4
70.63712	2.2
71.04993	17.3
77.37346	1.1
79.05482	5.7
80.62938	1.1
81.03403	1.3
81.07050	9.4
83.04987	1.7
83.08589	1.8
85.06529	2.9
89.48885	1.0
91.05478	21.9
93.07049	12.8
95.04950	3.3
95.08601	9.8
97.06535	2.1
103.05453	3.1
105.07029	18.1
107.04964	1.9
107.08604	9.6
109.06474	1.9
109.10143	4.6
111.08115	1.7
115.05476	12.1
116.06231	4.0
117.07036	7.9
119.04901	1.2
119.08573	12.3
121.06489	2.3
121.10132	9.9
123.08083	2.5
123.11729	1.3
125.09617	1.8
128.06219	13.1
129.07007	46.8
130.07759	2.3
131.04910	10.5
131.08562	44.3
133.06442	1.7
133.10135	13.9
135.08112	2.0
135.11644	2.0
137.05977	4.6
137.09610	1.8
141.05934	2.4
141.06987	38.7
143.04906	2.5
143.08568	2.4
144.05692	8.4
145.06511	13.9
145.10126	12.3
146.07265	5.4
147.04414	1.9
147.11674	3.9
148.05179	2.6
149.05899	5.8
149.09615	4.4
151.07678	1.4
153.06906	1.4
157.06482	23.9
157.10126	1.4
158.07262	21.7
159.04422	3.6
159.08058	30.0
159.11700	11.4
160.05205	6.3
161.09607	3.7
161.13249	7.1
163.07547	2.4
163.11171	3.8
169.06453	14.8
169.07709	1.5
170.07190	6.0
171.04419	1.9
171.08015	2.3
173.05988	5.5
173.09610	2.6
173.13269	4.3
174.06763	77.6
175.07536	13.4
175.14850	2.4
177.12753	1.5
177.16441	1.6
185.06030	1.7
186.06764	19.2
187.07492	5.3
188.08267	4.2
189.09102	94.1
190.09456	3.8
191.07037	2.1
191.10663	6.8
191.14423	1.5
201.09102	37.3
201.16360	11.6
202.09352	1.4
203.14310	2.5
205.15930	1.5
219.10155	100.0
219.13399	10.3
219.17404	35.6
219.19516	2.1
220.10608	2.9
220.18001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.05513	0.8
56.96574	1.6
60.04529	100.0
61.04859	0.5
63.77485	0.5
67.05483	0.7
69.07067	1.3
69.92921	1.7
70.02957	1.2
72.04524	0.5
75.38047	0.4
79.05499	0.5
81.07044	1.0
83.04986	0.8
84.08151	0.9
84.96040	1.2
85.08483	0.5
86.09709	71.3
87.05596	4.2
87.10061	1.2
90.05572	1.4
91.05530	0.5
93.07096	0.6
97.74530	0.4
98.97598	6.3
105.07047	0.8
108.29913	0.4
111.04429	0.6
116.98627	3.9
119.08577	1.7
121.10143	1.3
125.39657	0.4
128.10757	3.0
130.10504	0.5
131.04971	0.6
132.10207	51.4
133.06499	0.9
133.10240	1.0
134.99686	2.0
155.11812	0.7
157.06450	0.7
157.07649	0.7
158.11827	1.3
158.99675	1.0
160.07599	4.0
161.13264	0.6
172.09726	0.6
173.12865	24.2
174.09177	1.1
174.13211	0.7
175.08707	0.6
177.00734	1.9
201.12335	4.1
202.08817	0.5
202.10791	0.8
203.14331	7.6
205.15923	1.7
219.11296	3.3
219.13420	8.2
219.17438	21.7
220.09770	0.5
220.17920	1.0
237.02763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01874	1.2
55.05513	3.4
57.03436	0.9
57.07082	1.0
65.03938	0.8
65.74502	0.5
67.05505	5.6
69.03429	76.4
69.07060	3.8
69.31179	3.0
70.03764	0.6
71.04993	100.0
72.05335	0.8
79.05495	7.3
81.03401	0.5
81.07061	6.8
83.04971	1.2
83.08608	0.9
83.97965	0.5
85.06543	11.1
87.04468	1.3
87.35583	0.6
91.05476	14.7
93.03378	0.6
93.07048	6.8
95.04974	1.8
95.08612	5.2
97.06528	2.1
103.05463	2.3
105.07034	20.1
106.07349	0.5
107.04935	1.4
107.08598	7.5
109.02857	0.8
109.06525	1.5
109.10151	2.8
111.08080	1.9
115.05454	5.1
116.06221	2.1
116.06962	0.6
117.07013	5.4
119.08582	7.0
121.06496	3.3
121.10139	4.2
123.08041	2.4
123.11703	0.5
125.09637	2.9
128.06216	4.1
129.07005	15.0
130.07765	1.6
131.04926	3.8
131.08566	21.1
132.08926	1.1
133.06480	2.7
133.10130	18.7
135.08072	3.3
135.11716	2.3
137.05975	1.5
137.09628	1.0
141.06981	13.3
141.12373	0.5
142.07706	0.7
143.08578	1.9
144.05698	2.8
144.09334	0.6
145.06482	4.5
145.10127	6.6
146.07275	1.8
147.04413	0.6
147.08069	2.4
147.11685	2.3
149.09618	21.7
149.13216	1.0
150.09955	0.5
151.07536	2.8
155.05983	0.6
155.08553	1.9
157.06485	6.2
157.07669	0.7
157.10112	1.4
158.07262	7.0
158.10921	0.6
159.04425	1.4
159.08052	12.5
159.11681	6.4
160.05206	2.1
160.08650	0.4
161.09648	2.5
161.13263	2.7
163.07552	1.4
163.11208	1.2
169.06464	6.7
169.07622	0.5
170.07227	2.1
171.07942	1.1
173.05998	1.9
173.09615	2.6
173.13248	2.5
174.06764	23.2
175.07521	3.2
175.11133	1.1
175.14772	1.4
177.05428	0.8
177.12819	0.5
177.16380	0.6
183.11688	1.1
186.06750	6.0
187.07542	1.9
188.08383	1.3
189.09100	29.5
190.09518	0.8
191.06984	0.6
191.10672	2.4
191.14320	0.8
201.09102	10.7
201.12769	3.1
201.14632	0.6
201.16408	5.9
202.09424	0.7
203.14354	3.3
205.15874	0.7
216.27980	0.5
219.08173	1.3
219.10147	30.2
219.13748	12.4
219.17412	19.9
220.10468	1.3
220.17873	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1379
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
51.02381	0.7
53.03947	4.9
55.01873	4.7
55.05275	0.5
55.05512	6.7
57.03427	1.7
57.07064	0.7
58.22396	0.5
65.03950	2.9
67.05504	8.0
69.03416	1.9
69.07067	16.1
69.42486	1.7
70.16798	0.5
71.05000	3.1
73.06555	1.7
77.03927	0.7
79.05492	16.9
80.46805	0.5
81.03414	8.7
81.07064	6.7
83.04971	1.8
85.06535	1.5
91.05477	24.6
92.05768	0.6
93.03400	2.4
93.07044	6.5
94.04165	1.2
95.04964	4.5
95.08591	2.8
97.06510	1.7
103.05472	14.6
103.52453	0.5
105.03391	1.0
105.04507	1.9
105.07030	17.4
105.08082	0.7
105.36333	0.5
107.04959	12.1
107.08569	2.3
109.06519	0.9
109.10167	0.5
111.04401	0.9
111.08064	0.7
115.05450	11.5
116.06255	3.1
117.07021	18.1
119.04946	1.4
119.08577	5.0
120.08079	0.6
121.06517	4.8
121.10140	0.8
123.08042	0.8
128.06207	4.0
128.48857	0.6
129.07011	17.5
130.07800	1.2
131.03979	1.0
131.04918	12.9
131.08568	20.0
132.05652	0.8
133.06506	7.9
133.10130	2.1
135.08064	3.5
135.11696	0.6
137.05975	0.6
137.09689	0.6
141.06990	13.7
142.07755	0.9
143.08543	1.6
144.05704	4.2
145.06483	30.7
145.10104	3.9
146.07281	4.6
147.08041	3.3
147.11665	0.8
149.05980	1.3
153.06982	1.4
155.06013	2.0
155.08530	2.2
157.06493	7.2
157.10135	1.1
158.07280	8.4
159.04407	1.8
159.08060	16.1
159.11710	1.9
160.05194	2.1
160.08635	1.0
161.05887	0.6
161.09590	1.9
161.13094	0.6
163.07588	1.0
168.05919	0.5
168.09401	1.0
169.06473	5.0
169.07695	1.1
170.07283	1.7
171.08076	0.7
172.08739	0.8
173.05992	2.0
173.09570	1.5
173.13249	1.3
174.06763	21.0
175.07506	4.3
178.05009	0.9
183.11685	1.0
186.06804	4.5
187.07408	1.5
188.08289	1.6
189.09105	26.7
190.09366	0.8
191.07027	1.3
191.10722	1.6
201.05585	0.7
201.09096	11.2
201.12723	4.8
201.16483	0.8
203.14348	3.4
205.15889	0.6
219.06648	1.3
219.08154	1.7
219.10339	24.5
219.13799	100.0
219.17126	14.8
220.10539	1.0
220.14153	3.4
220.18028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62548	1.8
51.99522	1.6
53.00309	1.6
53.03937	2.2
55.01864	4.9
55.05510	3.4
56.23722	1.5
63.10931	1.4
67.05489	7.1
69.03433	100.0
69.07070	69.3
69.19593	11.9
71.04991	16.1
79.05501	18.4
81.03415	5.9
81.07049	7.0
83.04948	1.9
85.06521	2.4
91.05496	7.5
93.07059	8.2
95.04964	4.9
95.08627	8.4
97.06523	1.6
103.05465	10.0
105.07034	81.9
106.07330	2.0
107.08601	9.7
109.02885	22.0
109.06518	12.7
109.10159	4.9
111.08111	1.8
115.05460	3.9
117.07044	2.0
119.08577	3.7
121.10124	4.8
123.08067	1.8
129.06989	1.9
131.04968	1.8
131.08562	6.2
133.06488	22.4
133.10162	8.1
134.20393	1.7
135.08072	11.8
136.84714	1.5
145.10132	4.1
147.08003	1.8
147.11696	2.5
148.52007	1.4
149.13263	2.1
151.07547	85.4
152.07837	1.9
159.08054	2.9
159.11717	4.5
161.13229	1.9
163.07570	1.7
173.09653	2.0
173.13284	2.5
174.06749	2.4
175.14890	1.9
189.09033	5.0
197.19228	1.6
201.16385	5.0
203.14294	4.6
219.10081	2.0
219.13852	18.6
219.17444	22.4
219.21519	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	219.138
Annotation	Evofolin C
Peak:m/z	Relative Intensity
53.00317	1.6
53.03931	2.6
55.01869	5.7
55.05511	3.1
56.63527	1.1
57.07075	1.2
59.93996	1.0
64.86020	1.1
67.05502	8.0
69.03431	100.0
69.07069	64.0
69.72511	1.4
69.72855	3.8
70.06596	3.9
70.07402	1.5
71.05001	14.1
77.03932	1.4
79.05494	20.0
81.03410	6.8
81.07048	5.3
88.07640	5.4
89.07987	1.9
91.05491	7.2
93.07039	4.4
95.04987	5.5
95.08616	5.0
97.06566	1.6
103.05461	12.3
105.07031	78.1
106.08669	1.4
107.08584	4.1
109.02886	24.0
109.06506	11.9
109.10155	1.4
115.05451	2.9
117.07050	3.4
119.08586	3.6
121.10152	4.0
123.08081	3.0
129.06992	1.8
131.04926	1.6
131.08556	7.1
133.06497	26.2
133.10129	4.9
135.08107	2.3
141.07013	2.3
145.06505	3.6
145.10127	4.0
147.08008	2.3
147.11717	1.9
149.09636	2.4
151.07541	94.3
152.07870	2.1
157.06488	1.9
159.08089	4.3
159.11636	5.4
161.13284	2.7
163.11212	1.4
173.13310	1.5
174.06740	2.9
175.07486	1.6
175.11130	1.3
184.20575	1.1
189.09142	2.9
201.09195	1.3
201.12772	3.4
201.16351	1.8
201.20465	3.1
203.14333	4.0
205.15820	1.5
219.08302	1.5
219.10239	4.8
219.13878	14.1
219.17464	15.8
219.21481	33.5
219.23546	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.138
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
51.02375	1.9
51.31120	1.1
53.03948	6.5
55.01868	7.5
55.05512	20.2
57.03436	4.7
57.07064	4.4
65.03942	8.8
67.05505	100.0
67.64655	1.3
68.05827	1.4
68.18959	1.2
69.03430	78.1
69.07066	12.6
69.71886	5.4
71.04993	43.7
77.03918	1.7
79.05495	45.6
81.03410	4.0
81.07059	59.6
83.04991	7.7
83.08610	4.7
85.06544	17.4
87.04461	1.8
91.05479	57.6
92.05778	1.5
93.03380	1.9
93.07044	46.9
94.07386	1.2
95.04970	73.9
95.08601	26.9
97.06525	11.5
97.10175	2.2
103.05463	5.0
105.04512	3.6
105.07030	82.3
107.04949	5.6
107.08591	32.2
109.06522	13.5
109.10159	13.8
111.04457	2.2
111.08086	8.7
113.06042	2.4
115.05444	7.7
116.06191	3.0
117.07015	30.2
119.04968	7.2
119.08578	35.0
121.06520	18.1
121.10141	19.5
123.08067	14.3
123.11724	5.3
125.09615	5.7
127.07551	2.0
128.06216	6.2
129.06998	13.7
130.07774	3.3
131.04903	2.5
131.08565	38.5
133.06493	17.6
133.10129	30.9
134.07256	2.8
135.08046	13.3
135.11700	9.7
137.06012	1.3
137.09618	5.8
141.06944	7.7
142.07805	8.4
143.08556	7.6
144.05719	2.9
144.09358	3.4
145.06471	11.7
145.10123	33.2
147.08049	16.4
147.11690	10.4
149.09644	8.4
149.13254	5.4
151.07561	2.8
151.11208	3.6
153.07008	3.4
155.06053	2.2
155.08562	10.1
157.06470	2.3
157.10103	6.5
158.07256	2.6
158.10805	2.0
159.08047	10.2
159.11696	22.3
160.08858	4.4
161.09639	2.5
161.13274	13.5
163.11121	9.8
167.08553	1.2
168.09354	3.9
172.08884	1.4
173.09653	6.5
173.13268	11.9
174.06767	3.5
175.07709	1.6
175.11223	5.4
175.14853	4.7
177.12790	3.5
177.16418	1.4
183.11723	4.1
185.09593	1.3
189.09152	4.8
191.14339	2.6
191.17932	1.7
201.09105	2.0
201.12766	11.6
201.16383	23.8
202.16692	1.8
219.10278	4.1
219.13831	98.4
219.17363	58.2
220.14104	3.6
220.17233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
52.53517	1.0
53.03942	5.4
55.01877	5.3
55.05515	12.4
57.03424	3.6
57.07072	4.9
62.13677	1.0
65.03939	7.3
67.05505	100.0
68.05821	1.2
69.03423	9.4
69.07062	3.3
69.09244	4.2
69.09673	6.7
70.06577	1.2
70.36919	1.0
71.04992	28.3
79.05062	2.2
79.05492	30.3
81.03412	2.5
81.07057	28.6
83.04975	4.8
85.06532	7.7
87.04459	1.2
88.07671	1.6
90.27665	1.2
91.05482	38.1
93.07040	30.0
95.04971	90.8
95.08601	8.6
96.05317	1.2
97.06527	5.0
103.05461	4.9
105.07033	52.4
106.07397	1.4
107.04955	4.5
107.08578	13.7
109.06506	6.7
109.10188	2.0
111.04460	1.3
111.08082	2.7
113.06013	1.8
113.13628	1.1
115.05460	6.9
116.06253	3.4
117.07022	21.7
119.04930	3.8
119.08580	17.5
121.06508	14.3
121.10146	6.2
123.08092	7.4
125.09669	1.3
128.06207	4.0
129.07010	13.2
130.07762	3.6
131.04907	1.7
131.08568	26.4
133.06480	13.7
133.10124	9.0
134.07271	1.6
135.08049	7.8
135.11650	1.4
135.84785	1.1
137.05905	1.6
137.09584	1.5
141.06982	5.5
142.07788	9.2
143.08566	6.1
144.05698	2.8
144.09286	1.3
145.06456	8.6
145.10118	17.1
147.08035	9.1
147.11647	3.7
149.09639	2.0
151.07523	2.8
153.06964	2.7
155.06032	1.5
155.08559	7.1
155.82657	1.0
157.10136	4.0
158.07222	1.3
158.10799	1.9
159.08060	6.2
159.11685	7.5
160.08833	1.9
161.13312	2.2
167.08543	1.3
168.09317	3.3
171.11707	1.5
173.09604	5.1
173.13293	9.8
175.11154	3.5
183.11716	3.2
189.09045	3.4
191.14319	1.7
201.12772	10.1
201.16409	4.1
201.20551	1.3
219.10359	2.3
219.13808	61.0
219.17229	13.5
219.21486	12.8
220.14020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
53.03949	3.0
55.01876	5.4
55.05510	10.8
56.96572	1.8
57.03442	1.1
57.07078	3.1
65.03954	3.7
67.05507	19.6
68.99793	0.8
69.03429	6.2
69.07071	7.8
69.13969	1.7
69.14370	5.6
71.04996	19.3
74.94069	0.8
77.03915	1.7
79.01861	2.6
79.05497	23.3
81.03420	1.9
81.07058	21.1
82.07367	0.7
83.04989	6.6
83.08614	2.1
85.02905	1.1
85.06553	6.4
86.07824	0.7
87.04448	2.3
91.05482	39.2
93.03411	1.9
93.07053	22.3
95.04976	5.6
95.08613	11.8
96.19152	0.8
97.06539	7.7
101.05972	1.5
103.05448	4.0
103.93234	0.8
105.03463	0.9
105.04529	1.2
105.07034	34.6
107.04955	8.1
107.08601	17.2
109.06494	4.6
109.10146	4.7
111.04446	5.3
111.08074	1.8
114.36386	0.7
115.05447	6.5
116.06252	3.3
117.07033	23.0
119.04937	2.2
119.08582	24.2
121.02866	2.1
121.06523	10.4
121.10159	12.6
123.08062	2.8
123.11703	2.4
125.05994	1.5
125.09639	1.0
127.07532	1.1
128.06253	3.1
129.07016	14.5
130.07800	4.5
131.04941	2.5
131.08571	38.6
132.05647	1.0
133.06496	5.8
133.10126	13.4
135.04414	0.9
135.08046	11.1
135.11697	5.1
137.05963	1.8
137.09618	2.1
141.06993	6.3
142.07829	3.8
143.08578	6.1
144.05707	1.9
144.09340	5.3
145.06525	6.8
145.10135	21.1
146.06036	0.8
146.07219	1.0
147.08096	6.0
147.11662	6.1
149.05984	2.7
149.09650	4.6
149.13258	2.7
153.07022	1.3
155.08551	7.1
157.06471	2.1
157.07599	1.9
157.10132	13.9
158.07285	2.6
158.10803	1.8
159.08076	10.8
159.11697	49.4
160.12219	0.9
161.09641	9.3
161.13286	4.7
163.07597	5.6
163.11194	3.3
163.14815	0.9
168.09383	2.0
171.11612	0.8
172.94287	1.6
173.09644	9.4
173.13278	13.2
174.06750	5.6
175.07498	1.0
175.11188	13.5
175.14932	1.8
177.09117	6.2
177.12726	4.4
181.08571	0.7
183.11722	7.9
186.06735	1.2
187.07578	0.9
189.09116	8.1
189.12729	1.5
190.95369	2.0
191.07008	1.2
191.10684	3.5
191.14333	2.8
191.17841	0.8
201.09097	3.1
201.12743	15.6
201.16403	6.1
203.14304	11.2
204.09373	2.2
205.15918	2.7
219.10468	8.7
219.13829	100.0
219.17355	51.4
219.21225	3.3
220.14200	4.5
220.17856	2.2
226.90607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1381
Annotation	Chromoarnottione
Peak:m/z	Relative Intensity
51.02387	0.9
53.03947	2.1
55.01871	7.1
55.05516	10.6
57.03439	1.2
57.07068	1.7
61.31087	0.7
65.03936	2.9
67.05506	16.1
69.03431	4.3
69.07072	4.2
69.09254	6.0
69.09660	1.1
71.04997	32.5
77.03921	1.1
79.01847	3.7
79.05496	23.8
81.03429	1.9
81.07063	14.6
83.04978	4.8
83.08638	1.3
85.06541	6.9
87.04471	3.3
87.50849	0.8
91.05486	46.0
92.05833	1.0
93.03394	2.9
93.07055	18.4
95.04974	5.8
95.08598	9.9
97.06549	9.2
103.05502	3.8
105.03361	0.9
105.07032	21.8
107.04964	9.0
107.08602	12.9
109.06519	2.9
109.10168	5.1
111.04426	4.3
111.08113	1.4
115.05470	6.2
116.06234	2.8
117.07020	18.2
119.04974	2.1
119.08572	12.3
121.02863	1.8
121.06517	6.7
121.10133	5.3
123.04460	1.2
123.08064	3.2
123.11710	2.1
128.06224	3.2
129.07001	16.4
130.07765	2.1
131.04941	2.1
131.08568	29.7
132.05688	1.6
132.08873	0.8
133.06497	6.5
133.10141	5.6
135.04395	2.1
135.08060	13.6
135.11697	4.0
137.05971	1.4
137.09625	1.8
141.07001	7.8
142.07793	3.4
143.08583	3.3
144.05705	1.3
144.09296	0.9
145.06496	5.0
145.10139	12.8
146.07249	1.2
147.08066	6.1
147.11696	3.6
149.06035	1.2
149.09621	5.9
149.13275	3.4
153.06949	1.7
155.06053	1.0
155.08521	7.2
157.06480	1.9
157.10121	5.4
158.07295	2.0
159.08073	10.1
159.11691	6.0
160.08792	0.9
161.09601	2.7
161.13300	1.5
163.07550	2.7
163.11188	3.5
163.14842	2.0
168.09325	1.7
169.06500	1.0
171.11694	0.7
173.09630	8.7
173.13260	4.1
174.06798	5.6
175.11217	13.0
175.14821	0.8
177.09105	8.0
177.12668	1.3
177.16458	1.2
183.11749	3.9
186.06691	0.8
189.09116	6.6
191.10667	4.1
191.14281	3.0
195.10268	0.7
201.09111	2.1
201.12749	11.4
201.16452	2.0
203.14240	1.7
205.15875	1.0
219.10231	5.8
219.13812	100.0
219.17421	10.7
219.21123	2.9
220.14159	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	219.1744
Annotation	4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol
Peak:m/z	Relative Intensity
55.05502	2.6
57.07085	0.8
59.04992	1.0
67.05514	4.9
69.07072	16.5
70.69391	0.6
75.97269	0.7
78.88972	0.6
78.91721	0.6
79.05508	4.3
81.07047	5.3
83.08625	4.3
91.05472	3.7
93.07043	9.4
95.04980	0.7
95.08611	19.6
97.06537	1.1
97.10153	0.9
98.22607	1.2
99.08106	0.8
105.07037	7.7
107.08599	32.2
109.06501	1.2
109.10154	11.2
111.08051	1.5
113.09628	4.1
117.07011	1.3
119.08583	18.3
120.09340	0.8
121.10149	33.7
122.10477	0.8
123.08069	2.3
123.11680	1.6
130.07782	1.0
131.08580	2.5
133.10144	11.0
135.08087	0.9
135.11697	7.4
137.09599	1.0
138.25964	0.6
144.99657	0.7
145.10138	6.7
147.11700	1.8
149.09589	4.4
149.13278	3.7
151.11176	1.5
159.11696	8.4
161.13254	13.5
162.13618	0.7
163.11185	3.1
171.11658	0.6
173.13231	2.2
175.14833	23.5
175.16377	1.2
175.20715	0.7
176.15422	1.5
177.12764	2.5
177.16396	100.0
178.16737	3.6
182.53915	0.6
186.14127	0.8
186.16333	0.6
189.12653	0.7
191.14383	1.6
191.17908	0.8
192.83284	0.6
201.12851	0.8
201.16382	7.5
203.14302	1.8
218.22127	0.6
219.13921	2.3
219.17451	77.1
220.17769	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	219.1744
Annotation	4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol
Peak:m/z	Relative Intensity
55.05502	3.2
59.04996	0.6
67.05510	6.1
69.07072	17.6
69.26842	0.7
71.04973	0.7
79.05498	4.0
81.07057	5.6
83.08615	4.7
91.05468	3.8
93.07040	7.7
95.08613	21.1
97.06535	0.8
97.60525	0.6
98.23497	1.1
105.07021	6.0
107.08601	26.3
109.06494	1.4
109.10156	12.1
111.08064	1.3
113.09618	3.8
117.07014	1.6
119.07773	1.2
119.08593	16.2
120.09424	1.6
121.06502	0.9
121.10145	29.2
123.08065	2.5
123.11687	1.0
130.07822	1.1
131.08548	2.7
133.10135	11.4
135.08092	1.0
135.11711	5.8
135.44475	0.7
137.09628	1.4
144.09297	1.1
145.10138	7.6
147.11658	2.8
149.09685	3.4
149.13268	2.9
151.11160	2.3
153.86247	0.6
159.11693	7.0
161.13263	15.3
163.11198	2.6
173.13277	3.1
175.14819	28.5
176.15517	1.1
177.12967	2.1
177.16394	100.0
178.16696	2.3
191.14377	1.0
191.17978	0.9
201.16393	8.1
203.14302	1.2
219.17455	94.2
220.17720	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	219.1744
Annotation	4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol
Peak:m/z	Relative Intensity
50.29060	1.3
50.77384	1.2
55.05517	4.7
57.07079	1.7
59.04999	2.6
64.37753	1.3
67.05501	5.9
69.07078	12.0
69.22294	11.1
79.05486	5.3
81.03419	3.2
81.07057	7.0
83.08646	2.6
91.05489	4.3
93.07033	7.3
95.08613	19.2
97.06576	2.0
98.23370	1.4
102.35956	1.2
105.07005	9.1
107.08599	19.1
109.10151	10.5
109.71178	1.5
111.08086	1.8
113.09683	2.4
117.07027	1.6
119.08573	15.5
121.06516	1.6
121.10129	21.0
123.08065	2.1
123.11716	3.8
131.08556	4.2
133.10120	8.9
135.11728	8.1
145.10083	7.6
147.11647	2.1
149.09628	4.1
149.13239	4.1
151.11188	2.7
159.08084	2.0
159.11673	10.6
161.13280	12.5
163.11189	3.0
173.13231	4.2
175.14825	23.8
176.15089	1.7
177.09111	1.7
177.12848	2.7
177.16382	82.2
178.16818	1.8
201.12790	2.1
201.16408	10.9
203.14268	1.5
219.13792	5.1
219.17445	100.0
219.21011	4.3
220.17717	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03941	1.7
55.05504	6.8
55.30248	0.7
59.04998	1.2
65.03948	1.8
65.21458	0.7
67.05510	9.7
69.03437	2.5
69.07069	6.9
70.67652	0.8
70.67981	1.3
71.03630	0.7
71.04994	25.5
73.06559	0.8
79.05497	9.6
81.06579	1.2
81.07060	23.7
83.04977	2.9
83.08621	2.0
85.06540	1.9
88.78765	0.7
91.05481	24.3
93.07053	23.7
94.07369	0.7
95.04967	2.7
95.08609	17.7
97.06557	4.2
97.10153	1.0
99.08092	1.3
103.05490	1.6
105.07034	75.1
106.07343	1.2
107.08599	19.0
108.23695	0.7
109.06513	3.4
109.10155	10.8
111.08083	2.1
113.09663	1.1
115.05441	1.5
117.07006	8.4
118.07796	1.0
119.08594	27.8
119.09458	1.5
121.06511	3.3
121.10145	11.7
123.08071	5.1
123.11679	1.8
125.09631	15.0
128.06262	0.9
129.06993	3.2
130.07813	1.2
131.04945	0.8
131.08572	16.8
131.09494	1.5
133.10132	100.0
134.10466	2.0
135.08051	2.4
135.11681	5.9
137.09618	3.0
139.11185	1.3
141.06947	1.1
143.08566	1.1
145.06488	1.2
145.10120	20.6
147.08023	0.9
147.11685	11.6
149.09622	2.6
149.13271	3.0
157.10172	1.3
158.10915	0.9
159.08011	0.9
159.11705	21.2
159.52512	0.8
160.12064	1.0
161.13261	9.8
163.11200	4.3
173.13271	11.3
174.06828	1.0
175.14871	4.1
177.12738	2.2
177.16351	1.7
189.09138	2.1
191.14369	2.6
191.17978	1.6
201.16380	19.3
219.10211	2.0
219.13826	5.3
219.17445	51.6
220.17783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.81649	1.2
53.03938	2.6
55.01864	3.9
55.05515	12.8
57.03446	1.7
57.07064	3.6
59.05009	1.9
60.56761	1.3
65.03947	2.1
67.05508	18.3
69.03430	60.5
69.07069	9.9
69.56749	1.4
71.04994	73.6
77.03912	2.3
79.05488	20.6
81.03374	1.4
81.07059	41.2
83.04987	8.7
83.08627	4.4
85.06551	9.3
87.27439	1.2
91.05479	47.4
93.03400	1.5
93.07046	32.1
95.04992	8.3
95.08610	21.9
97.06550	9.4
97.10149	1.5
98.23369	2.4
99.08102	2.0
103.05478	7.4
105.07031	80.7
106.07356	1.3
107.04965	4.0
107.08594	22.3
109.06504	5.1
109.10168	12.3
111.04430	2.7
111.08069	3.5
115.05457	13.8
116.06234	4.9
116.89846	1.2
117.07019	17.7
119.04902	1.5
119.08583	30.9
121.06501	8.8
121.10148	21.3
123.08073	6.6
123.11758	3.2
125.09626	18.5
128.06238	9.9
129.07011	33.1
130.04204	1.9
130.07771	4.3
131.04903	7.8
131.08568	57.0
132.08878	1.4
133.06493	4.1
133.10130	100.0
134.10503	1.6
135.08054	8.7
135.11685	9.2
137.05952	2.4
137.09653	3.2
139.11104	2.4
141.06996	25.5
142.07710	2.0
143.08556	5.1
144.05682	13.7
144.09317	1.7
145.06483	12.6
145.10132	27.6
146.07251	3.1
147.08015	4.3
147.11693	19.0
149.09627	16.7
149.13228	3.2
151.07445	1.4
155.08548	2.9
157.06462	13.5
157.07549	2.5
157.10106	4.1
158.07259	11.7
159.04390	3.9
159.08047	29.4
159.11711	28.3
160.05180	3.3
160.08850	1.9
161.05986	1.5
161.09598	4.9
161.13281	16.7
163.07489	1.9
163.11154	7.4
169.06458	10.8
169.07697	1.9
170.07275	4.7
173.05975	5.8
173.09622	4.9
173.13251	12.1
174.06764	42.2
175.07491	9.3
175.11153	2.6
175.14810	4.7
176.04759	1.6
177.05435	1.6
177.12743	3.8
177.16400	3.0
186.06793	11.1
187.07578	11.2
188.08279	1.5
189.09103	51.8
190.09503	2.3
191.06941	2.1
191.10645	3.9
191.17941	2.9
201.05391	1.9
201.09085	24.5
201.12752	6.0
201.16374	25.3
203.14305	12.7
205.15912	3.7
219.06566	5.1
219.08293	2.5
219.10164	60.1
219.13846	27.5
219.17439	87.6
220.10408	2.7
220.17807	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	219.1745
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
50.11753	1.0
52.29373	1.2
53.03935	3.9
53.32563	1.3
54.50247	1.2
55.01867	4.5
55.05516	54.8
56.49440	1.3
57.03433	1.6
57.07070	4.9
65.03943	2.6
67.05172	1.8
67.05508	18.1
69.03433	20.0
69.07069	31.7
69.28117	9.6
70.06591	2.3
71.04992	9.6
71.08634	1.7
79.05496	23.1
79.05930	1.1
80.06258	1.5
81.03372	1.3
81.07063	41.2
82.04192	2.8
83.04977	5.9
83.08615	5.2
83.39365	1.2
85.06550	5.2
88.07611	6.2
89.07956	3.1
91.05486	25.0
93.07043	50.9
94.16382	1.3
95.04977	7.2
95.08610	39.1
97.06531	5.5
97.10219	2.4
103.05460	5.1
105.07034	59.1
106.08632	2.0
107.04958	3.8
107.08588	33.4
108.05718	3.8
109.02885	2.7
109.06531	33.2
109.10166	20.9
111.08078	5.5
115.05434	1.5
116.06219	1.5
117.07016	10.8
119.06011	1.4
119.08582	33.2
121.06512	5.8
121.10143	51.3
121.11017	2.6
123.08098	11.7
123.11697	7.8
125.09658	7.2
128.06200	1.9
129.06993	7.2
130.07802	2.4
131.08572	18.5
133.06464	5.1
133.10136	37.6
135.08035	6.8
135.11700	20.7
137.09607	3.3
137.13245	1.6
141.07028	3.3
143.08589	2.4
144.09346	3.7
145.06468	2.8
145.10133	29.8
146.10921	2.4
147.08080	1.8
147.11679	9.7
149.09633	7.8
149.13251	5.8
151.07542	14.4
151.11148	1.7
155.08560	1.9
157.10130	4.9
159.08057	4.7
159.11700	28.3
160.12111	1.5
161.09631	2.1
161.13271	27.6
163.11192	9.1
163.14838	2.0
164.11978	8.4
165.12643	2.2
173.13300	7.7
174.06734	3.1
175.11201	6.1
175.14825	5.2
177.12735	5.3
177.16414	3.6
183.11749	2.2
187.84029	1.5
189.09090	4.3
191.17935	3.7
201.09077	1.8
201.12688	4.2
201.16388	27.8
201.20438	3.6
203.14333	3.2
219.10265	6.5
219.14153	14.5
219.17447	100.0
219.21454	43.5
220.17699	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
52.13202	1.1
53.03933	2.5
55.01862	1.8
55.05511	24.0
57.07063	3.6
67.05502	13.9
69.03439	5.7
69.06719	1.6
69.07064	14.7
69.12730	10.1
71.04653	1.3
71.04996	18.4
79.05488	16.8
81.07059	45.0
83.04961	5.3
83.08617	4.1
85.06535	3.1
91.05480	26.8
93.07042	39.6
95.04969	3.0
95.08603	25.4
97.06561	7.0
97.10158	4.2
98.23418	1.4
99.08073	1.5
103.05461	2.1
105.07030	85.8
107.08592	27.8
108.08973	1.2
109.06519	6.5
109.10157	15.4
111.08078	2.8
115.05430	2.6
116.06170	1.5
117.07011	10.5
118.07801	1.5
119.08578	28.3
120.08870	1.4
120.51221	1.2
121.06489	4.9
121.09301	1.7
121.10145	32.3
123.08104	5.3
123.11700	3.3
125.08727	2.4
125.09623	24.6
125.99129	1.0
128.06151	1.5
129.03885	1.1
129.06969	4.0
130.07744	1.8
131.08569	18.6
131.09518	1.9
132.09323	1.5
133.10129	100.0
134.10431	2.0
135.08060	3.4
135.11708	11.9
137.09596	3.2
139.11156	1.6
141.06955	1.6
143.08519	2.3
144.09337	2.0
145.09013	1.6
145.10127	27.0
147.11688	20.4
149.09610	3.7
149.13268	4.0
151.07541	2.3
151.11201	2.2
157.10114	2.2
158.10959	1.3
159.11693	26.6
161.13274	16.7
163.11201	8.0
171.11641	1.2
173.13232	7.4
174.06754	3.4
175.07449	1.6
175.14850	6.0
177.12740	4.4
177.16324	2.9
189.09128	3.2
191.17932	4.0
201.09187	1.6
201.16391	26.2
203.14330	1.9
219.10251	1.4
219.13815	3.6
219.17426	58.3
219.21484	4.1
220.17796	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	219.1744
Annotation	4,11,11-Trimethyltricyclo[6.3.1.02.5]dodec-7-en-6-ol
Peak:m/z	Relative Intensity
51.92718	1.4
55.05501	2.7
57.07055	1.6
60.94824	1.4
67.05498	4.5
69.07059	16.6
69.21630	9.8
73.35023	1.4
79.05492	4.4
81.07052	4.8
82.47488	1.3
83.08622	2.8
91.05451	2.3
93.07034	6.7
95.08611	17.4
105.07029	5.3
107.08600	25.6
108.65697	1.3
109.10161	11.1
113.09637	3.8
118.48202	1.6
119.08583	13.8
121.10145	29.7
121.47266	1.3
123.53493	1.4
131.08530	1.8
133.10115	7.7
135.11685	6.7
145.10139	8.2
149.09558	1.9
149.13266	4.8
151.11214	1.7
159.11710	6.2
161.13248	12.9
163.11250	2.8
173.13187	1.7
175.14813	22.3
175.26991	1.3
177.16383	100.0
178.16714	4.0
193.80154	1.4
201.16425	6.0
203.14314	1.8
219.17442	82.0
220.17828	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	1.3
55.05513	7.8
57.07071	1.7
59.04979	1.0
65.03922	1.6
67.05495	9.4
68.18768	1.0
69.03415	2.3
69.07068	8.0
70.67207	1.0
70.67536	1.6
71.04997	20.8
73.06569	1.5
79.05487	11.0
81.07057	20.2
82.17086	0.9
83.04971	5.2
83.08594	2.4
85.02930	0.8
85.06522	2.1
86.43874	1.0
91.05478	21.7
93.07048	20.4
95.04965	9.0
95.08604	15.8
97.06535	6.5
97.10160	1.2
99.08084	1.5
103.05468	2.3
105.07029	54.7
107.04947	1.3
107.08580	15.6
108.86703	0.9
109.06506	3.2
109.10166	6.4
111.08060	3.0
115.05444	2.3
117.07003	7.5
118.07801	0.9
118.83800	1.0
119.08577	19.8
121.06491	4.4
121.10136	15.1
123.08044	3.6
123.11684	2.4
125.09617	15.9
128.06235	1.4
129.06998	5.3
130.07799	1.9
131.04935	1.3
131.08568	15.0
133.10127	100.0
134.10442	2.1
135.08008	2.3
135.11650	5.2
137.09604	2.5
141.06978	1.7
142.07710	1.6
143.08594	1.4
144.09373	2.1
145.06448	2.3
145.10120	19.8
146.89948	0.8
147.08035	1.8
147.11679	10.8
149.09589	3.0
149.13239	3.3
151.11256	1.0
157.06462	2.4
157.10094	1.1
158.07281	1.5
158.10928	1.4
159.08041	1.7
159.11702	28.4
160.11958	1.4
161.09628	2.0
161.12099	1.3
161.13272	13.4
163.11148	3.9
171.11656	0.8
173.13312	4.9
174.06757	3.6
175.07491	2.5
175.11227	0.9
175.14827	5.4
177.12753	3.0
177.16408	2.5
189.09088	6.4
191.14282	1.3
191.16273	0.8
191.17957	3.1
201.09042	1.8
201.12738	1.1
201.16368	19.1
219.10219	5.5
219.14021	9.2
219.17421	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	219.1743
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03947	2.1
54.07837	1.1
55.01873	1.7
55.05518	7.8
57.07072	1.5
67.01896	1.1
67.05508	10.3
69.03426	6.4
69.07066	6.7
69.23898	7.7
71.04990	30.5
71.69291	1.1
74.63838	1.1
79.05495	11.0
81.07054	20.9
83.04967	3.3
85.06551	2.7
91.05482	27.9
93.07044	30.2
95.04973	3.4
95.08610	17.8
97.06544	3.5
97.10162	1.6
99.08057	1.3
102.00990	1.1
105.07030	85.8
106.07350	2.1
107.08594	16.2
109.06487	2.3
109.10158	10.6
111.08063	2.9
115.05459	1.8
117.07000	8.6
118.07816	1.7
119.08585	23.2
121.06505	1.9
121.10143	10.1
123.08054	3.2
125.09623	12.9
127.11258	1.6
128.06192	1.5
129.06982	3.5
130.07791	1.3
131.08569	21.3
133.10130	100.0
134.10393	1.3
135.08064	2.2
135.11739	5.2
137.09592	2.6
141.06958	2.5
143.08510	1.7
145.06451	1.5
145.10130	19.6
147.09235	1.0
147.11681	11.2
149.09586	2.2
149.13312	2.9
151.07562	2.1
152.50494	1.1
157.06514	1.5
157.10135	1.2
158.10905	1.5
159.08025	1.3
159.11705	19.8
161.13242	9.4
163.11206	3.4
169.06505	1.5
173.13261	12.0
174.06731	5.7
175.11284	1.2
175.14832	4.5
175.45084	1.1
177.12700	1.3
177.16321	2.3
189.09113	8.0
191.14339	1.7
191.17964	1.7
201.09117	2.2
201.16389	21.0
219.10231	7.4
219.13805	3.8
219.17439	57.0
220.17828	1.2
227.10242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.02365	0.4
53.03946	0.9
55.01859	1.4
55.05512	4.4
57.03429	1.3
57.07068	1.4
62.75900	0.3
62.78234	0.4
65.03944	2.4
67.05508	21.6
68.05843	0.7
69.03085	0.4
69.03436	6.7
69.07069	3.1
69.20171	2.0
71.04991	6.6
79.05053	0.7
79.05491	7.7
81.03416	0.6
81.07060	10.0
83.04987	2.9
83.08616	1.5
85.06544	3.1
87.04454	0.5
91.05483	11.1
93.07050	9.0
95.04972	18.0
95.08615	7.2
96.05316	0.4
97.06535	8.7
103.05457	1.4
105.07032	14.6
106.07398	0.4
107.04931	1.6
107.07976	0.3
107.08598	8.0
109.06526	2.1
109.10162	7.7
111.04458	0.4
111.08084	20.5
115.05460	2.7
116.06245	0.9
117.07030	5.1
119.04907	1.0
119.08575	8.5
120.08041	0.4
120.08886	0.5
121.06521	4.2
121.10146	7.3
123.08070	2.6
123.11684	1.7
125.09644	0.6
128.06219	1.5
129.07011	5.8
130.07767	0.8
131.04897	1.2
131.08574	10.1
133.06540	1.9
133.10133	5.1
135.08055	6.4
135.11684	3.3
137.05971	0.5
137.09624	1.5
139.11139	0.6
141.07002	3.9
142.07755	1.3
143.08574	1.3
144.05701	1.1
144.09288	0.6
144.64333	0.3
145.06497	2.5
145.10135	8.0
146.10490	0.4
147.08070	2.0
147.11682	7.8
149.09624	2.0
149.13252	0.8
151.07574	0.9
151.11211	0.4
155.08476	1.6
157.06493	1.6
157.07642	0.5
157.10130	1.0
158.07292	1.2
158.10899	0.6
159.08110	3.0
159.11690	7.1
160.05148	0.5
160.08907	0.4
161.09584	1.5
161.13242	3.6
163.07533	0.4
163.11177	6.1
163.14914	0.7
164.11885	0.7
168.09348	0.9
169.06491	1.4
170.07288	0.4
171.11667	0.5
173.06013	0.6
173.09673	0.9
173.13278	2.8
174.06767	5.5
175.07506	0.9
175.11200	1.2
175.14818	1.4
176.11980	0.9
177.12744	1.7
177.16412	0.6
183.11708	0.7
186.06798	1.6
187.07468	0.5
189.09106	6.5
189.10924	0.8
189.12744	15.6
190.09485	0.3
191.10707	0.7
191.14267	0.4
191.17955	0.7
201.05516	0.3
201.09132	2.5
201.12779	2.5
201.16396	5.1
203.14261	2.0
204.15109	15.7
205.15691	0.8
219.10271	6.4
219.14197	13.0
219.17438	100.0
220.17793	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	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.02398	0.8
52.10855	0.7
53.03933	2.3
55.01867	2.5
55.05515	13.0
55.77303	0.7
57.03424	1.9
57.07080	1.7
62.86350	0.8
65.03938	1.8
67.05505	12.0
67.16465	0.9
69.03431	4.1
69.07072	6.0
69.18783	7.2
71.04995	23.4
76.02248	0.8
77.03931	1.0
79.05499	10.1
81.03403	1.0
81.07061	18.9
83.04987	4.6
83.08604	2.3
85.06538	2.3
91.05486	27.3
93.07050	17.4
95.04979	4.6
95.08604	17.1
97.06513	4.5
103.05452	3.1
105.07032	50.9
107.04934	1.9
107.08601	15.8
109.00366	0.8
109.06518	3.4
109.10174	8.4
111.08061	2.6
115.05447	8.0
116.06238	3.1
117.07032	9.4
118.07813	1.1
119.08582	17.9
121.06534	4.6
121.10149	24.2
123.08057	4.8
123.11696	2.5
125.09650	6.2
128.06233	5.9
129.07005	24.0
130.07770	2.7
131.04941	4.8
131.08574	42.4
133.10135	100.0
134.10452	3.1
135.08086	4.0
135.11691	6.9
137.05922	2.4
137.09612	3.3
138.86086	0.7
141.06981	18.7
143.04903	1.1
143.08556	3.5
144.05673	3.7
144.09297	1.9
145.06503	6.2
145.10129	19.6
146.07262	2.9
147.11694	18.1
148.05174	1.0
148.12010	1.0
149.05978	1.4
149.09592	3.5
149.13264	3.6
155.08525	1.1
157.06487	11.2
157.10085	2.5
158.07289	13.1
158.10898	0.9
159.04448	1.9
159.08076	17.1
159.09396	1.5
159.11705	22.1
160.05191	2.1
161.09599	3.1
161.13293	9.8
163.07515	1.4
163.09999	0.8
163.11198	5.7
169.06482	8.4
170.07216	4.5
171.08017	0.8
172.12433	0.8
173.05949	2.8
173.09584	1.8
173.13237	5.7
174.06769	42.6
175.07541	7.4
175.11110	1.7
175.14854	4.5
177.12738	2.8
177.16399	1.5
186.06790	9.6
187.07520	1.7
188.08359	2.2
189.09106	52.7
190.09612	1.2
191.10637	3.6
191.14273	1.4
191.17955	2.8
201.09122	21.1
201.12752	1.8
201.16393	19.4
202.09564	1.3
203.14171	1.3
219.08003	1.8
219.10181	44.9
219.13841	7.9
219.17429	48.3
220.10608	1.8
220.17790	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03945	3.5
54.11535	1.2
55.01866	2.8
55.05520	14.0
57.03428	2.2
57.07063	2.7
63.95256	1.0
65.03927	4.4
65.89869	0.8
67.05508	36.0
68.33870	0.8
69.03436	8.9
69.06783	0.9
69.07072	10.5
69.08487	8.8
71.05001	14.1
79.05495	20.8
81.03408	2.2
81.07063	38.7
82.07378	1.2
82.72462	1.0
83.04990	8.1
83.08620	2.9
85.06538	3.9
91.05489	23.8
93.07053	29.2
95.04977	27.0
95.08616	27.0
97.06537	9.3
99.08082	1.1
103.05470	2.8
105.07033	42.1
106.07342	1.9
107.04957	1.8
107.08603	28.2
108.05784	1.0
109.06542	8.0
109.10154	19.1
111.04449	1.3
111.08102	8.7
115.05455	3.9
116.06247	1.3
117.07030	12.9
119.08587	27.8
121.06501	4.5
121.10140	22.9
123.08064	10.5
123.11706	8.3
125.09596	4.9
128.06239	2.4
129.07027	9.8
130.07794	2.1
131.04979	1.7
131.08575	22.8
132.08960	1.3
133.06506	3.7
133.10126	21.8
135.08078	5.4
135.11710	11.1
135.18767	1.1
137.09616	2.7
141.07024	6.0
142.07684	1.5
143.08568	4.1
144.05696	1.4
144.09309	2.8
145.06451	4.8
145.10129	34.5
146.07323	1.7
147.08066	3.9
147.11711	11.3
149.09625	4.3
149.13248	4.3
151.11174	2.3
155.08496	1.5
157.06500	2.1
157.10124	2.5
158.07236	2.6
158.10858	1.8
159.08090	7.0
159.11696	27.7
161.09628	2.5
161.13274	17.3
163.11176	11.4
163.14786	2.5
168.09280	1.4
173.05962	1.1
173.09657	1.0
173.13266	10.4
174.06754	5.6
175.07527	1.7
175.11224	1.8
175.14827	4.8
177.12779	5.2
177.16327	1.8
186.06834	1.4
187.07466	1.8
189.09154	7.4
189.12785	1.4
191.14240	1.7
191.17963	3.4
201.09103	3.0
201.12752	4.6
201.16377	31.3
202.05432	1.1
203.14398	2.4
204.15134	1.8
219.10081	7.3
219.14011	22.9
219.17445	100.0
220.17770	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20747	0.5
54.01253	0.5
54.26862	0.5
55.01873	1.4
55.05515	1.5
56.28616	0.7
57.07086	7.0
59.04747	0.6
59.04993	3.7
61.02930	0.7
67.05508	6.2
69.07077	5.2
70.02960	7.3
70.06585	0.6
70.35657	2.0
71.01360	0.7
72.04521	18.0
73.02930	3.2
74.02436	1.7
75.04484	0.8
81.07063	1.4
83.04990	2.1
85.06551	9.2
86.09708	1.8
87.08098	2.0
88.16533	0.7
90.05559	100.0
95.04977	7.4
96.08119	1.6
98.01814	1.2
98.02422	17.0
99.97562	0.7
100.03995	2.3
103.07586	7.3
105.07035	0.7
113.06002	3.0
113.10907	0.7
116.03468	13.3
124.06689	1.1
124.07597	18.7
128.03529	0.7
131.06998	0.7
142.08641	7.7
145.10179	0.7
156.10178	0.9
158.11812	1.1
160.03249	1.1
160.07458	0.7
160.09671	2.2
166.08620	2.7
174.11238	2.6
174.82178	0.7
177.12599	0.8
184.09711	18.5
185.09991	0.7
193.60495	0.7
202.10759	32.7
203.11028	0.9
204.14586	1.3
205.15883	8.9
220.09773	2.9
220.11787	27.9
220.17921	4.8
221.11989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
52.76596	0.5
55.01870	2.0
55.05516	1.3
56.01394	0.9
56.75192	0.6
56.96592	1.2
57.03442	0.6
57.07074	9.8
59.05000	6.3
61.02937	4.4
62.03262	1.3
65.03951	0.8
65.54662	0.6
67.05501	7.5
69.03411	0.7
69.07069	6.8
69.28920	4.1
70.02959	8.4
71.01353	4.8
72.01689	3.0
72.04519	19.3
72.08163	1.5
73.02929	3.5
74.02451	1.4
75.04478	7.2
76.04828	3.6
79.05500	1.7
81.07037	1.6
83.04984	1.7
85.06545	12.0
86.09708	1.7
87.04484	1.5
87.08111	2.2
88.04820	1.4
89.02380	1.5
90.05557	100.0
91.05425	1.0
91.05928	1.1
95.04970	8.4
96.04531	1.0
96.08161	3.1
98.02419	17.3
98.97591	1.0
100.03983	3.1
103.03941	6.5
103.05501	0.9
103.07581	10.0
104.04272	6.8
105.04420	0.6
105.07001	1.4
112.07590	1.1
113.06018	4.5
116.02643	1.1
116.03455	17.0
116.98608	1.1
119.08656	0.7
120.08100	0.9
124.07596	21.6
128.04990	1.3
129.00810	0.6
130.06540	0.9
131.03380	1.0
131.04868	0.7
131.07103	1.4
132.03645	1.0
132.04509	1.3
132.10202	0.6
133.06546	0.8
136.07603	0.7
137.05951	0.7
139.63957	0.6
142.08652	9.1
145.10127	2.1
146.05989	6.3
147.04431	2.5
149.06009	0.8
151.21309	0.6
156.10269	1.4
157.07559	0.5
159.02878	3.6
160.03242	11.6
160.07576	0.7
160.09657	2.2
161.06006	1.5
166.08636	2.5
174.05573	1.9
174.09143	1.5
174.11278	3.5
175.03908	2.3
175.07417	0.7
175.08775	1.1
175.11194	0.6
177.12735	2.5
184.09697	21.4
185.09981	1.2
188.02733	1.3
202.10748	28.2
203.11157	1.3
204.14621	2.9
205.15892	24.8
220.05699	1.4
220.09691	3.3
220.11765	24.2
220.17859	11.0
221.07784	0.8
221.12526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01878	0.8
55.05509	1.6
56.01411	0.8
57.07075	7.0
59.05007	5.6
61.02935	0.9
67.05507	5.9
69.07076	5.3
70.02954	7.9
70.56881	1.3
70.57220	0.9
71.01356	0.8
71.32597	0.5
72.04519	16.1
73.02924	3.9
73.21748	0.6
74.02433	1.6
75.04485	1.1
76.04823	1.4
79.03602	0.6
79.05506	0.9
81.07054	0.7
82.16190	0.7
83.04974	1.7
85.06548	11.2
86.09715	1.9
87.08110	2.6
88.04822	0.8
90.05557	100.0
90.21584	0.5
91.05889	0.9
91.41463	0.6
94.06575	0.8
95.04967	6.4
96.08136	2.9
98.01810	1.1
98.02419	17.2
100.03972	2.4
103.03938	1.5
103.07582	7.6
104.04304	1.1
112.07578	0.8
113.05988	3.5
116.03460	16.2
124.07602	16.5
130.06519	2.2
131.07039	0.8
132.04529	1.4
142.08647	8.7
146.06003	3.8
151.52773	0.5
156.77673	0.7
158.05998	1.3
159.02972	0.6
160.03226	2.3
160.09694	1.7
166.08658	1.6
174.05553	0.8
174.11269	2.3
175.08672	1.9
177.05244	0.6
184.09706	18.2
188.02780	0.7
202.10753	29.2
203.11070	1.1
204.14874	0.6
205.15881	4.9
220.11798	26.5
220.17905	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	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36134	0.5
54.06321	0.7
55.01857	1.3
55.05521	0.7
56.96583	0.9
57.07079	9.7
59.05001	5.8
61.02910	1.1
67.05500	6.3
69.07070	6.0
70.02949	8.3
70.14307	0.5
70.62606	1.2
71.01358	1.4
72.04517	17.8
73.02921	3.7
74.02444	1.6
75.04495	1.4
75.33208	0.6
76.04844	0.6
79.05477	1.0
83.04972	2.0
85.06547	11.5
86.09715	1.9
87.08101	1.7
90.05555	100.0
93.07054	0.8
95.04977	8.5
96.08131	1.8
98.02420	15.9
100.03976	3.6
100.36613	0.6
103.03917	1.7
103.07581	8.1
104.04269	1.8
105.07052	0.8
112.07613	0.8
113.06020	4.6
116.03448	13.6
119.08601	0.7
121.06551	0.7
124.07594	21.2
130.06531	1.1
131.07089	1.2
132.04446	1.2
133.01033	0.5
133.10185	0.8
135.94362	0.6
139.24391	0.7
142.08646	9.4
145.10085	1.9
147.06375	0.6
156.10197	1.3
158.06013	1.5
158.11766	1.2
160.03215	3.4
160.09697	2.1
166.08604	2.9
174.09097	0.7
174.11249	2.7
175.08698	1.8
177.12781	2.2
184.09682	19.6
185.10060	0.8
189.12682	0.6
202.10739	28.5
204.14629	3.4
205.15875	21.6
220.09752	2.2
220.11780	29.0
220.17845	11.4
221.12137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01875	47.1
55.05501	3.1
57.03429	1.1
67.05503	4.7
68.25596	0.9
69.03418	2.4
69.07063	2.1
71.04990	3.3
71.34326	1.3
73.02921	100.0
74.03281	1.0
75.71871	0.8
75.98378	0.8
77.37141	0.8
79.05502	4.5
81.03430	1.0
81.07043	5.9
83.04987	1.9
83.08601	1.3
85.02924	1.3
85.06498	1.5
85.08577	0.9
87.04472	66.2
89.02345	1.2
91.05475	5.7
93.07030	4.0
94.20267	1.0
95.04986	4.8
95.08600	3.5
97.06520	1.6
103.05439	1.1
104.59138	0.8
105.05514	17.3
105.07037	7.7
107.04984	2.2
107.08592	3.6
109.06529	2.5
115.05477	2.7
116.06220	1.0
117.07010	3.0
119.08572	5.9
120.08119	1.4
120.09088	0.8
121.06506	2.5
121.10161	2.2
123.08064	4.4
128.06252	1.4
129.07028	2.8
130.06560	5.4
131.04930	1.3
131.08577	2.3
133.06483	4.1
133.10130	3.9
135.08051	6.0
137.05995	2.1
137.09570	1.4
143.04892	2.2
143.08606	1.8
145.06483	1.3
145.10081	2.1
147.04408	2.2
147.08058	2.5
147.11682	2.4
148.07587	1.4
149.09650	1.9
151.07556	1.6
157.07619	0.9
157.10115	1.7
158.06013	1.7
159.11719	1.2
160.05267	1.1
161.04620	1.1
161.05975	9.5
161.09630	3.3
161.13344	1.4
162.06824	2.0
163.07516	1.2
163.11177	1.8
165.09143	1.3
175.07523	4.0
175.08824	1.6
175.11215	2.6
175.14835	1.9
176.06998	2.1
177.09097	16.3
179.06947	0.8
179.10674	1.3
179.14279	1.3
189.05467	1.3
193.08519	1.6
203.06958	1.6
203.10631	1.8
203.14357	2.5
206.16223	2.3
207.02943	0.9
221.04393	1.8
221.08070	3.5
221.09790	1.7
221.11655	7.2
221.15318	9.8
221.18529	1.0
222.11429	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.93696	0.3
56.43650	0.3
59.24632	0.3
67.59704	0.4
71.22509	0.7
74.63760	0.3
81.03403	0.4
81.07067	0.5
82.02953	2.0
91.05462	0.7
94.06571	3.6
103.05464	0.7
104.05021	0.6
115.05476	1.0
119.33877	0.4
120.08052	0.6
130.06537	50.0
131.06851	1.5
132.04459	35.0
133.04865	0.5
133.06569	0.4
145.38329	0.4
147.09145	0.9
147.99982	0.3
148.07596	0.9
157.07625	20.8
158.06021	70.1
159.06340	1.7
175.08676	100.0
176.07068	1.6
176.09064	2.3
186.05565	1.9
203.08150	1.4
204.06596	3.5
206.16202	1.9
221.09230	20.9
221.15305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05493	0.4
56.96563	3.0
57.07076	0.6
69.07045	0.4
70.06589	0.6
70.23787	0.4
71.30032	0.8
72.08169	0.5
73.02924	0.5
74.02440	1.1
81.03410	0.6
81.07027	0.5
82.02925	1.9
85.02906	0.6
86.09707	0.5
87.04448	0.4
91.05863	0.5
91.73299	0.4
94.06561	3.9
95.04965	0.6
97.02874	0.7
98.97580	4.9
101.02393	0.5
102.75759	0.4
103.05481	0.8
104.05030	0.7
105.07033	0.6
107.04948	0.7
115.05479	1.0
116.98640	2.4
120.08088	1.4
121.06516	0.6
130.06526	67.2
131.01897	1.0
131.04880	0.5
131.06897	0.9
132.04448	41.2
133.04779	0.4
133.06470	0.5
134.99675	0.9
136.07588	0.9
143.04947	0.5
146.06017	0.7
147.04391	1.0
147.09187	0.9
148.07539	2.8
155.04666	0.6
156.06741	0.6
157.06303	1.2
157.07614	30.3
158.06009	77.1
158.99609	0.5
159.06334	2.1
161.05963	1.0
175.08669	100.0
176.07076	2.0
176.09081	2.3
177.00851	0.5
186.05516	3.0
203.08197	8.5
204.06561	5.1
206.16234	2.0
216.99713	0.5
221.04640	1.0
221.09242	20.7
221.12672	3.9
221.15100	0.7
221.18562	0.6
222.09508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03954	0.5
55.01853	0.5
55.42870	0.5
56.96572	3.5
57.03436	0.5
57.07081	1.0
60.04552	0.6
67.05502	0.9
68.05046	0.6
69.03425	1.1
69.07044	0.5
70.06609	1.7
71.30344	0.5
72.08165	1.6
73.02905	0.7
74.02441	0.9
79.05524	0.7
80.20658	0.5
81.07043	0.5
82.02948	1.5
83.05022	0.5
84.08138	1.3
85.02899	0.8
86.09713	0.9
90.05553	0.8
91.05483	1.6
93.07031	0.7
94.06568	4.2
95.01344	1.6
97.02911	1.3
98.97580	2.6
103.05438	1.1
105.07039	1.0
109.10172	0.4
115.05455	1.9
116.98611	2.4
119.01912	1.9
119.03426	0.5
119.04948	0.6
120.08129	1.2
121.06522	0.7
129.05505	0.7
130.06535	66.7
131.01845	0.7
131.04964	1.1
131.06868	1.9
132.04457	45.2
133.04768	0.7
133.06477	0.9
134.99706	1.6
136.07588	4.0
137.02887	0.6
137.05971	0.8
138.98994	0.6
141.05496	1.2
145.03574	0.5
145.06290	0.5
147.04434	0.7
147.09137	1.2
148.07593	3.2
156.97501	6.7
157.07619	32.0
158.06018	79.5
159.06384	2.9
161.05981	1.5
165.47903	0.7
174.98541	9.6
175.08676	100.0
176.07089	1.6
176.09056	2.5
177.05421	1.0
179.00528	1.1
179.99005	0.7
185.07091	1.0
186.05540	3.0
191.07069	0.6
193.09888	0.7
194.08032	0.5
198.00165	1.5
198.98515	1.8
203.08203	7.0
204.06544	4.8
206.16206	3.8
216.01341	0.7
216.99619	4.9
221.00980	1.2
221.09222	23.3
221.12488	2.9
221.15018	0.8
221.18362	2.0
222.11282	0.8
244.34044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
50.45794	1.7
53.03945	5.0
55.01868	12.5
55.05510	19.6
57.03439	5.1
57.07059	3.2
65.03934	3.2
67.05503	38.0
69.03433	45.1
69.07068	22.2
70.19128	4.9
71.04994	44.4
79.05493	37.2
81.03433	3.2
81.07058	52.2
82.07403	3.1
83.04972	8.0
83.08607	4.0
85.06541	15.7
87.04461	9.0
91.05473	50.1
92.05822	2.8
93.07045	53.3
94.07375	2.2
95.04979	11.5
95.08607	32.4
95.09174	3.3
97.06540	16.2
99.08092	3.2
103.05464	6.0
105.07030	70.4
107.04968	7.4
107.08595	41.0
108.05746	2.7
109.06515	8.4
109.10159	17.8
111.04488	2.3
111.08098	8.7
115.05471	8.6
117.07014	16.1
119.04944	2.6
119.08579	59.7
121.06498	10.1
121.10162	16.3
123.08089	7.9
123.11714	9.5
125.09638	4.4
128.06206	10.4
129.07014	17.7
131.04939	5.4
131.08577	20.4
133.06506	18.2
133.10133	36.9
135.02657	7.0
135.08028	13.1
135.11705	29.9
137.05998	3.5
137.09625	15.4
142.07738	6.0
143.08568	23.4
144.09340	2.3
145.06549	3.5
145.10107	8.9
146.03630	2.6
147.04462	3.2
147.08022	16.1
147.11681	24.3
149.09642	10.5
149.13327	2.8
151.03955	10.5
151.07527	2.5
151.11201	3.7
155.08583	1.9
156.09349	2.3
157.10138	16.6
159.08038	2.4
159.11676	25.6
160.05191	3.4
160.12102	2.1
161.04169	2.0
161.04633	2.2
161.05978	16.5
161.09622	24.0
161.13255	27.6
163.07526	2.0
163.11212	4.7
165.06982	4.5
165.09128	7.5
170.10846	2.6
175.07547	8.0
175.11118	11.3
175.14835	15.1
176.07233	2.9
177.09137	2.8
177.12724	8.4
177.16344	2.7
179.07050	2.3
179.10683	3.4
185.13232	15.7
188.11911	1.8
189.05511	2.9
191.07043	3.4
193.06859	1.8
193.08627	7.0
193.15833	1.8
203.06993	4.1
203.10651	2.2
203.14328	62.6
203.17883	14.7
204.14742	3.0
206.14494	1.8
206.16116	9.6
215.80443	1.9
221.04362	3.1
221.06085	3.9
221.08102	9.1
221.15399	100.0
221.18892	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03933	4.2
55.01874	12.1
55.05514	19.6
57.03425	4.6
57.07068	6.3
59.13658	1.7
63.97697	2.0
65.03941	2.2
65.44233	1.8
67.05502	43.1
69.03429	100.0
69.07066	21.4
71.04993	47.7
72.30015	1.7
72.53690	1.9
79.05490	40.5
81.03432	3.4
81.06574	4.2
81.07056	73.8
83.04975	10.5
83.08640	5.2
85.06544	20.0
87.04470	8.2
91.05472	59.7
93.07044	69.7
93.27429	1.8
95.04991	13.0
95.08607	47.4
97.06530	21.8
97.10168	2.4
98.23360	3.8
99.08103	6.6
103.05470	6.0
105.07031	69.6
107.04963	8.0
107.08593	46.3
107.09286	3.4
109.06525	9.9
109.10153	27.3
111.04466	2.5
111.08081	16.8
113.06003	6.0
115.05464	8.1
116.84231	1.8
117.07051	13.2
119.08582	69.8
121.06522	13.3
121.10147	20.1
123.08088	9.8
123.11697	18.1
125.09618	6.6
128.06215	6.0
129.07024	10.2
131.04886	4.6
131.08578	18.4
133.06493	24.7
133.10127	34.2
135.08057	14.6
135.11707	39.1
137.05997	1.9
137.09605	16.4
137.13332	3.3
139.07530	2.5
142.07814	3.4
143.04933	2.4
143.08565	19.6
145.10114	7.5
147.04402	3.1
147.08083	11.3
147.11676	25.3
149.02361	9.4
149.09642	5.1
149.13255	5.4
151.11218	5.2
153.09117	3.2
157.10141	13.7
159.11690	18.7
160.05156	2.3
161.05978	29.8
161.07224	3.1
161.09628	20.6
161.13278	27.4
163.11183	3.6
163.14836	6.0
165.06998	3.6
165.09155	6.5
171.05614	2.6
175.07410	3.5
175.11137	8.9
175.14842	12.2
177.09155	4.7
177.12794	7.0
177.16386	4.6
179.10681	3.3
185.13290	14.6
189.05431	8.9
193.08643	4.3
203.06906	2.5
203.14334	46.2
203.17972	25.9
206.05692	2.7
206.16136	5.1
221.04341	2.6
221.06253	2.8
221.08194	6.2
221.11806	4.0
221.15381	84.2
221.18915	33.0
222.11250	2.7
228.71545	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03954	2.6
55.01868	3.6
55.05502	7.1
57.03449	1.9
57.07066	1.5
65.03920	2.6
67.05163	2.7
67.05505	21.4
69.03432	100.0
69.07065	7.1
70.97765	1.8
71.04997	28.0
79.05496	19.7
80.70615	1.6
81.03371	1.6
81.07053	23.8
81.19377	1.4
83.04988	4.1
85.06561	8.0
87.04469	2.4
91.05479	32.2
92.05820	2.5
93.07043	38.1
95.01353	1.4
95.04962	8.8
95.08616	15.1
96.93920	1.8
97.06520	10.0
102.09313	1.4
103.05459	1.8
105.07028	25.2
107.08600	23.2
109.06538	5.4
109.10146	8.8
111.08086	6.7
113.06004	4.3
115.05435	2.2
117.06998	7.9
119.08578	30.8
121.06525	5.3
121.10172	4.0
123.08026	3.6
123.11732	2.0
128.06236	3.4
129.06996	7.1
129.77135	1.5
131.07739	2.1
131.08540	11.0
133.06502	5.2
133.10129	18.5
135.08052	5.7
135.11687	15.7
135.66377	1.9
137.09615	11.0
142.07782	1.5
143.08537	11.6
145.10141	6.2
147.08121	7.5
147.09129	2.3
147.11671	7.6
149.09625	4.5
149.13297	1.9
153.09047	3.3
156.09325	1.9
157.10101	5.9
159.11679	14.8
161.09625	9.7
161.13251	8.6
165.09142	2.0
175.11211	5.6
175.14859	4.6
177.12746	3.9
185.13249	10.8
203.10999	1.5
203.14334	28.5
203.17963	3.4
221.15410	40.4
221.19000	4.8
221.21991	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.88631	1.8
53.03932	6.3
55.01873	10.9
55.05512	20.7
57.03419	3.0
57.07059	6.8
64.28217	1.9
65.03937	3.6
67.05172	3.7
67.05504	44.7
69.03431	100.0
69.07063	27.6
71.04993	41.9
79.05061	3.2
79.05494	43.8
81.03409	6.0
81.07056	71.4
83.04971	6.3
83.08611	7.5
85.06537	7.9
87.04446	3.0
91.05469	49.7
91.05991	3.1
93.07045	66.1
95.04960	16.4
95.08605	44.9
97.06518	18.0
97.10153	3.9
99.08128	3.7
103.05459	5.4
105.03446	2.5
105.07025	81.9
106.07381	2.6
107.04971	5.8
107.08595	65.8
108.08869	2.3
109.06522	12.9
109.10148	29.1
111.08088	10.8
112.85044	2.0
113.05992	8.2
115.05465	7.3
117.07042	10.9
119.04946	3.9
119.08580	70.8
121.06515	9.2
121.10132	20.4
123.08073	10.8
123.11695	16.8
125.09629	4.6
127.11191	5.7
128.06224	5.6
129.06995	12.9
131.04982	4.2
131.08557	14.2
132.05757	3.7
133.06491	18.9
133.10144	35.7
135.08044	10.5
135.11687	71.0
137.05902	2.7
137.09625	17.8
137.13243	3.0
139.07561	2.2
142.07813	3.0
143.04939	4.3
143.08540	10.4
145.10123	4.4
146.03654	2.9
146.07201	2.5
147.08031	12.6
147.11688	27.8
149.09589	5.7
149.13266	9.3
151.03876	2.9
151.07547	3.8
151.11172	5.0
153.09195	2.7
157.10178	4.2
159.11710	8.5
160.05241	3.8
161.05969	24.1
161.07162	2.4
161.09604	16.3
161.13248	22.3
163.14874	5.9
165.06979	5.1
165.09111	3.6
173.13222	2.7
175.07448	3.5
175.11200	9.8
175.14882	14.0
177.05460	2.8
177.12833	2.8
177.16342	3.3
185.13269	6.0
189.05479	6.2
189.09091	5.1
193.08554	12.2
203.14310	26.6
203.17979	30.1
206.16212	10.4
212.91144	2.3
221.04309	3.7
221.06151	4.2
221.08041	6.5
221.09712	4.0
221.11766	5.3
221.15381	96.1
221.18935	45.0
221.22137	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	221.1538
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02370	1.1
53.03949	6.4
55.01865	2.2
55.05518	11.0
57.07087	1.1
63.42558	1.0
65.03933	2.0
65.71710	0.9
66.33836	0.9
67.05181	1.1
67.05508	16.4
68.34038	0.8
69.03413	0.9
69.07072	16.0
69.50744	5.8
70.07424	1.0
71.05004	5.4
73.06583	1.3
76.01810	0.9
79.05499	72.6
81.03407	1.2
81.07063	49.2
83.04982	2.4
83.05476	1.1
83.08637	7.1
85.02882	1.1
85.06544	4.4
87.04459	1.6
91.05485	50.5
93.07050	100.0
94.07375	1.5
95.04974	8.2
95.08043	1.7
95.08611	22.7
97.06516	2.2
98.22684	2.1
99.04430	1.4
101.06007	1.2
101.50883	1.0
105.04504	4.1
105.07035	42.0
107.04939	1.3
107.08601	88.3
108.08949	2.0
109.06547	7.2
109.10193	4.4
111.08112	1.1
117.06990	5.2
119.06092	2.1
119.08587	43.2
121.06511	3.7
121.10148	22.4
123.08067	5.2
127.07553	1.9
128.06223	1.2
129.07033	4.4
131.08591	9.4
133.06525	1.6
133.10130	14.1
135.08057	3.0
135.11711	2.4
136.04471	0.9
137.09630	2.0
142.07803	1.4
143.08577	9.4
145.10100	3.2
147.08069	5.3
147.11674	4.4
149.02319	1.6
149.59334	0.9
153.09137	1.4
157.10153	5.1
159.11713	8.9
159.85022	0.9
161.09645	8.3
161.11913	2.2
161.13261	38.0
162.13573	1.4
163.11101	1.2
165.09105	3.6
175.11240	7.0
175.14848	10.9
179.10655	1.6
185.13268	21.4
203.14316	15.1
206.10825	1.9
206.16185	2.3
208.38890	0.9
221.09438	2.1
221.11633	1.7
221.13422	1.6
221.15364	39.9
221.18726	1.5
222.15823	1.6
222.18500	1.6
227.12291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	14.6
57.07064	3.7
59.05008	1.7
65.03935	2.1
67.05502	10.4
69.03418	2.3
69.07072	14.0
70.73582	3.3
71.04994	25.7
79.05495	15.9
81.07059	57.7
83.04987	2.7
83.08596	7.1
85.06557	1.8
91.05480	11.5
93.06464	2.1
93.07043	33.4
95.04973	2.5
95.08044	2.0
95.08610	27.7
97.06578	1.3
97.10161	2.1
99.08092	6.4
105.07027	21.8
105.28642	1.1
107.08597	64.1
108.08912	1.4
109.06507	2.7
109.10162	20.1
111.08077	1.9
117.06998	1.7
119.08583	34.9
120.08913	1.7
121.10132	10.1
123.08092	2.1
123.11722	14.8
125.09611	1.8
127.11175	4.8
131.08557	1.8
133.10136	22.9
135.11696	100.0
136.12030	3.1
137.09647	3.0
137.13234	3.3
145.10107	2.3
147.11682	20.6
149.02324	5.1
149.13240	7.6
151.11237	3.6
161.13280	11.5
163.14798	4.6
165.12729	2.9
177.16399	2.1
196.73521	1.2
203.17941	30.5
221.15546	2.2
221.19017	49.4
222.19330	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
51.12770	0.9
53.03949	2.4
55.05514	12.4
57.07071	3.9
61.13055	0.9
65.03928	1.5
67.05505	11.3
69.03442	1.4
69.07073	11.4
70.66606	1.9
71.04997	28.5
77.03883	1.6
79.05496	20.4
81.07061	70.0
82.07375	1.0
83.04949	1.5
83.08619	4.7
85.06552	2.7
91.05482	11.6
93.07048	41.4
95.04973	1.4
95.08047	1.7
95.08611	26.1
96.59056	1.0
97.06532	1.8
97.10173	2.0
99.08102	4.2
100.91111	0.9
105.07029	28.6
107.08600	61.2
109.06501	2.2
109.10163	24.4
111.08080	1.2
113.09624	1.0
117.06989	1.6
118.98267	1.0
119.08585	45.8
121.10139	9.8
123.08056	3.2
123.11713	17.4
125.09610	1.3
127.11193	5.3
133.09206	0.7
133.10123	22.7
135.11697	100.0
136.12027	3.0
137.09621	5.6
137.13240	2.5
139.11203	1.6
145.10175	1.5
147.11682	21.0
149.13264	10.0
151.11195	3.5
159.11670	1.7
161.13284	10.9
163.14857	5.2
165.12747	3.0
170.96768	1.0
175.14851	2.9
177.16344	2.2
187.96564	1.0
203.14235	1.2
203.17952	34.2
204.18321	1.3
221.15724	7.3
221.19011	55.3
222.19241	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.34917	0.8
53.03939	2.2
55.01882	1.4
55.05509	10.7
57.03437	0.8
57.07066	3.1
58.03380	0.9
65.03941	1.6
67.05508	9.6
69.03421	3.4
69.07069	8.7
69.88353	2.6
71.04995	19.3
73.06547	1.1
79.05492	12.9
81.07059	38.6
83.04971	3.4
83.08617	5.3
85.06540	1.5
91.05469	10.9
93.07048	33.4
95.04958	2.1
95.08607	25.7
97.06509	3.3
97.10159	2.7
98.22590	1.2
99.08081	4.1
103.05490	1.6
105.07032	22.2
107.08595	56.4
109.06516	2.6
109.10154	16.7
111.08111	1.9
113.09658	1.1
115.05456	1.0
117.07037	1.0
119.08587	31.1
121.10168	9.8
123.08067	3.9
123.11715	17.0
125.09608	1.5
127.11181	4.1
129.55792	0.9
131.08533	1.1
133.06503	2.5
133.10126	20.5
134.10602	0.9
135.11691	100.0
136.12030	2.4
137.09628	4.8
137.13257	3.2
139.11076	0.9
140.13025	0.8
145.10114	2.3
147.08069	1.8
147.11687	17.5
147.12762	1.6
149.13266	5.3
151.11142	3.0
159.11687	1.5
161.05939	1.3
161.13245	10.9
163.14827	5.6
165.12782	2.4
175.14813	2.6
177.16467	1.6
203.17957	33.2
221.08006	1.1
221.15764	6.0
221.19003	46.5
222.19341	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	(Z)-Lanceol
Peak:m/z	Relative Intensity
53.03941	3.7
54.37383	1.5
55.05518	7.7
57.07080	1.8
62.16740	1.8
67.05507	9.0
69.07079	9.0
69.22079	13.1
69.22420	2.0
71.04995	31.6
72.05308	1.5
79.05499	21.5
81.07059	70.4
83.08618	5.1
85.44790	1.5
91.05473	8.9
93.06465	2.9
93.07047	43.6
95.08617	26.3
97.06534	3.6
97.10176	2.2
99.08086	2.8
105.07035	26.1
107.08596	60.5
109.06482	1.8
109.10165	19.1
119.07770	3.1
119.08582	42.5
119.09438	2.2
121.10139	9.5
123.11699	13.8
127.11223	4.3
133.10138	21.8
135.11699	100.0
137.09584	3.9
137.13248	2.1
147.11684	21.1
149.13240	9.4
151.11195	3.8
161.13246	10.5
163.14816	3.3
163.29172	1.6
175.14818	2.1
201.95462	1.6
203.17955	33.4
206.51021	1.7
221.19000	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.93495	1.5
53.03945	1.8
55.01876	2.3
55.05511	13.1
57.07067	3.6
59.44782	1.5
61.88561	1.5
64.96997	1.6
67.05513	13.3
67.13503	1.3
69.03409	1.6
69.07076	12.2
69.19053	3.2
69.19466	9.6
69.37012	1.4
71.05000	21.6
71.08669	1.4
79.05490	16.4
80.47732	1.6
81.07062	56.4
83.04977	1.6
83.08612	3.1
85.06522	1.8
91.05486	9.7
93.07049	41.3
95.04968	1.9
95.08057	2.1
95.08617	34.0
97.06529	3.7
97.10156	2.8
99.08102	4.4
105.07030	28.4
107.08599	60.0
109.06531	1.8
109.10165	23.8
111.08089	2.8
119.08585	40.2
121.10165	11.1
123.08085	4.3
123.11712	13.4
125.09666	2.8
125.76797	1.4
127.11203	4.3
131.08549	2.0
133.06493	2.9
133.10138	23.5
135.08073	1.8
135.11700	100.0
136.11990	2.0
137.09605	5.2
137.13239	4.3
147.11687	19.3
149.13271	8.0
151.11209	4.8
153.85892	1.6
161.06009	3.4
161.13289	10.4
163.14833	6.2
165.12787	3.8
175.14851	5.7
177.12723	5.6
177.16440	3.1
181.48370	1.7
193.15773	1.7
203.14256	1.8
203.17958	36.6
216.01721	1.7
221.15427	4.3
221.19011	60.0
222.19318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.5
55.01870	3.2
55.05511	21.9
57.07080	10.0
59.04989	3.1
61.76436	1.5
65.03954	2.0
66.28327	1.6
67.05507	25.4
67.78238	1.4
69.03419	3.2
69.07069	31.8
71.04985	9.7
71.08614	2.0
79.05497	17.7
81.07061	61.4
83.04977	6.4
83.08623	20.4
84.60132	1.3
85.06528	5.4
85.10200	2.1
91.05476	20.5
93.07043	36.1
94.07394	1.6
95.04940	3.5
95.08606	76.5
96.08949	1.8
97.06529	5.4
97.10165	9.8
99.08064	3.6
103.05479	1.6
105.07034	55.5
107.04974	2.1
107.08600	60.3
109.06538	7.2
109.10156	54.6
109.10909	2.4
111.08073	6.4
111.11703	3.3
114.10092	1.3
115.05476	1.5
117.07014	1.9
119.04976	1.7
119.08579	51.5
119.45893	1.5
121.06538	2.1
121.09296	2.4
121.10143	37.0
123.08044	6.8
123.11694	16.4
125.09641	13.7
131.08545	3.6
133.06462	4.7
133.10132	35.3
135.08054	3.2
135.11705	19.7
137.09605	5.9
137.13245	4.9
139.11154	6.4
145.10088	4.5
147.08034	2.0
147.11691	52.4
149.13261	5.9
151.03888	3.6
151.07520	1.8
151.11182	6.0
151.14758	1.5
153.12837	1.7
159.11682	3.0
161.05998	4.5
161.09622	1.7
161.13257	30.5
163.14832	16.8
165.06984	1.8
165.09073	1.9
165.12801	9.9
175.11234	2.4
175.14824	21.1
177.16383	8.7
179.14326	2.4
185.13301	2.8
193.08501	2.5
193.15918	1.9
193.19353	1.5
194.60419	1.4
203.14229	5.0
203.17964	100.0
204.18301	5.0
206.16092	3.0
221.07843	1.9
221.09749	2.6
221.13246	4.5
221.15622	13.2
221.18990	91.3
222.19319	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.77245	1.2
53.03934	3.2
55.01861	5.2
55.05513	20.3
57.03444	2.4
57.07085	7.3
59.05002	1.2
65.57050	1.3
67.05505	23.9
69.03430	26.2
69.07066	26.4
71.04999	31.1
73.06545	1.6
79.05496	27.8
81.03436	2.1
81.07061	77.8
83.04984	6.3
83.08602	5.4
85.06533	5.4
91.04904	1.6
91.05474	33.5
93.07046	50.6
95.04974	6.8
95.08610	41.1
97.06551	7.0
97.10175	3.1
98.23347	4.0
99.08089	4.7
103.05476	2.0
105.04479	1.7
105.07037	49.2
107.04972	3.1
107.08597	66.6
108.08925	2.4
109.06505	8.3
109.09447	1.9
109.10159	23.2
111.08060	5.0
113.09624	1.8
115.05450	5.6
116.06275	1.8
117.07004	7.9
119.08583	54.8
121.06498	4.5
121.10130	15.8
123.08034	6.3
123.11712	20.1
125.09646	4.4
127.11169	4.5
128.06223	3.0
128.74178	1.3
129.07008	5.1
131.04921	3.7
131.08568	5.6
132.05707	1.7
133.06525	10.6
133.09203	2.4
133.10124	26.1
135.02623	5.2
135.08069	5.1
135.11694	100.0
136.12070	2.1
137.04211	4.0
137.09619	6.5
137.13252	3.5
139.11189	2.2
142.07742	2.5
143.08577	5.9
144.09399	1.4
145.10106	5.8
147.08064	6.4
147.11711	26.1
148.08783	3.0
149.09647	2.8
149.13249	8.3
151.03865	2.1
151.11147	3.7
157.10165	3.4
159.11716	6.0
161.06000	8.4
161.09685	8.3
161.13290	19.9
163.14796	6.2
165.09155	2.5
165.12769	2.9
174.57870	1.3
175.07570	2.8
175.11121	1.5
175.14890	9.0
177.09088	1.5
177.12775	1.7
177.16348	3.6
185.13275	4.2
189.05418	2.7
191.06981	2.5
193.08630	3.3
193.19443	1.8
203.10846	2.5
203.14342	13.3
203.17963	32.5
206.16248	5.4
221.06117	2.0
221.08012	4.0
221.09911	3.3
221.11819	3.3
221.15437	50.7
221.18990	56.9
222.15778	2.3
222.19212	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	3.7
54.53693	2.4
55.05505	11.3
56.18622	2.4
57.07061	3.8
57.19875	3.1
59.91972	2.6
67.05503	10.9
69.07068	14.1
71.04997	22.3
71.31907	3.2
73.06559	2.9
79.05492	15.8
81.07056	48.4
82.79211	2.6
83.04948	3.4
83.08629	4.2
91.05478	12.2
91.32873	2.8
93.07050	37.1
95.04967	5.1
95.08606	30.0
97.06512	3.7
99.08078	4.1
101.05121	2.8
104.63013	2.3
105.07025	26.3
107.08598	56.1
107.09295	4.9
109.06544	3.0
109.10165	20.2
111.08131	3.9
119.08598	39.3
121.09264	2.1
121.10160	14.4
123.11742	15.7
125.09598	3.1
127.11164	3.7
127.23380	2.8
133.10124	23.5
135.11697	100.0
136.12059	3.7
137.09633	4.4
145.10152	4.6
147.07977	3.2
147.11685	23.2
149.13281	7.8
151.11197	5.4
157.09955	2.6
161.13274	11.3
163.14787	4.4
165.09146	4.0
175.14841	7.5
203.14403	5.7
203.17958	38.9
206.10992	2.8
221.09331	5.4
221.11469	5.1
221.13406	4.8
221.15395	10.7
221.19003	63.8
222.19171	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	beta-Chamigrene-10-ol
Peak:m/z	Relative Intensity
55.05508	11.7
57.07064	3.7
59.04998	2.7
65.03916	1.4
67.05508	13.5
69.03437	2.4
69.07070	24.9
69.38055	1.7
70.90195	1.6
70.90540	3.4
71.04993	11.0
71.08614	1.3
79.05494	10.8
81.07069	17.8
83.04959	1.7
83.08617	15.6
85.06545	5.2
87.11713	1.5
91.05468	6.7
93.07047	18.2
95.04989	3.4
95.08607	52.1
97.06522	2.9
97.10143	4.7
99.04479	2.8
99.08097	3.0
105.07027	20.4
107.08600	56.8
109.06534	4.0
109.10158	45.3
109.10910	2.0
111.08110	2.5
113.09683	2.0
119.08583	32.2
121.06533	2.0
121.10147	60.8
123.08061	5.5
123.11703	12.9
125.09666	3.7
131.08574	2.3
133.10133	45.6
135.11708	15.7
137.09627	4.1
137.13248	2.4
139.11139	1.8
145.10156	1.6
147.11682	40.5
149.13249	8.6
151.11151	3.1
151.14850	2.6
159.11647	1.9
161.09605	2.1
161.13283	16.5
163.14830	11.6
165.09076	2.7
165.12767	4.2
175.14790	9.7
177.16385	100.0
178.16780	3.8
179.17973	1.8
203.17958	80.8
204.18286	2.2
206.10837	2.3
206.16141	4.1
221.09499	4.1
221.13220	3.7
221.15602	9.3
221.19002	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	222.0761
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
54.14222	0.3
55.01882	0.5
67.05515	0.5
70.56493	0.8
78.13950	0.3
79.05499	0.4
85.02918	0.3
91.05467	1.6
93.07068	0.4
94.06612	0.4
98.97588	0.4
103.05480	2.8
105.07026	0.3
106.06550	1.1
111.96896	0.3
115.05459	10.3
117.05750	0.3
118.06548	3.1
120.08111	2.7
130.06529	100.0
131.04922	2.8
131.06842	2.4
132.04427	1.4
132.08109	0.8
133.06493	12.6
138.05542	0.4
140.04831	0.3
143.06046	2.8
146.06027	0.5
148.07573	11.0
157.83971	0.3
158.06017	74.5
159.06374	2.2
160.07570	0.8
162.05411	0.4
176.07069	4.7
176.08473	0.5
186.03847	0.4
186.05504	7.3
204.06575	12.1
209.70477	0.3
222.07616	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	223.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19072	1.1
55.05514	1.6
56.05016	1.2
57.03439	26.4
57.07075	2.1
65.03928	1.3
69.03444	1.2
69.60136	4.8
70.06597	3.0
73.31124	1.0
75.04488	13.3
79.05489	2.0
81.03438	1.4
81.07048	2.1
83.05016	1.3
84.04510	2.5
84.08167	1.2
86.09722	1.3
88.54679	0.9
91.05476	10.0
93.07051	1.8
94.06618	1.5
95.04965	2.2
95.08591	1.5
97.02921	1.9
97.06542	1.4
98.23434	1.2
98.97589	1.3
102.04700	1.9
103.05473	73.4
104.05778	1.2
105.07061	4.8
107.04967	1.5
107.08588	2.8
109.02884	1.2
109.10168	1.2
111.04477	1.0
115.05447	1.3
116.98611	1.3
117.07053	2.4
118.04178	1.9
119.04957	5.7
119.08616	1.6
120.08123	4.5
121.02881	1.4
121.06516	2.8
121.10168	1.1
129.07011	2.1
130.04105	1.3
131.04932	100.0
132.05305	1.7
133.06493	2.9
134.01984	1.0
135.04463	1.2
137.06017	1.7
145.06500	3.3
147.04417	19.0
147.08052	1.6
148.05156	3.6
149.02368	12.1
149.05984	91.4
150.06366	2.2
153.05557	1.2
157.06502	2.5
159.04434	1.0
159.08063	1.7
161.05995	2.8
163.03865	1.2
163.07599	1.8
166.08621	1.8
177.05510	3.3
177.12694	1.1
178.05032	1.2
187.07547	2.6
205.04953	1.5
205.08481	1.5
205.12242	1.0
208.03674	1.3
223.05855	8.6
223.11055	3.6
223.13286	1.9
223.17039	2.0
224.09169	1.9
225.04315	11.4
227.02267	3.9
230.24806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03940	4.9
55.01870	4.5
55.05512	22.1
57.03437	5.0
57.07080	3.0
58.20128	1.6
59.04992	5.1
61.02928	4.4
67.05503	10.6
69.03438	17.6
69.07079	12.9
69.39602	11.9
71.04982	5.8
79.05499	12.3
81.03414	7.2
81.07070	13.2
83.01342	3.8
83.04987	23.0
83.08636	2.0
85.02911	32.1
85.06533	2.2
91.05479	20.1
93.07039	35.7
95.04984	18.4
95.08604	14.9
97.02883	8.4
97.06540	5.3
97.10165	13.4
99.04451	2.3
99.08027	2.5
103.05447	2.0
105.07043	17.5
107.04970	5.3
107.08600	26.3
109.02850	1.9
109.06521	17.5
109.10154	7.1
111.04450	2.6
111.08094	8.4
113.05966	4.9
115.05468	1.8
117.07024	6.2
119.08595	21.1
121.06516	48.4
121.10147	16.9
123.04451	2.6
123.08086	11.8
123.11711	3.6
125.02357	1.9
125.05952	2.7
125.09647	4.9
127.03953	2.6
129.06956	2.8
130.07764	3.4
131.08549	5.9
133.06454	2.1
133.10115	16.2
135.08052	27.9
135.11694	16.0
137.05931	3.6
137.09622	14.6
139.07553	8.0
144.09340	3.4
145.06444	2.7
145.10150	16.8
147.08028	9.1
149.05997	5.0
149.08505	3.6
149.09628	44.3
149.13268	6.7
151.11209	5.5
153.09163	2.6
159.11664	20.3
161.09624	8.9
163.07561	4.4
163.11185	36.7
165.09096	24.5
167.07027	4.6
172.08803	3.4
175.11208	2.9
177.12769	32.0
179.10689	7.3
181.12236	4.6
184.14648	1.8
187.11191	12.3
193.12369	2.1
195.13802	4.7
205.12227	48.6
223.06004	4.0
223.13303	100.0
224.13527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.01858	7.4
55.05309	2.0
55.05512	19.2
57.03421	3.5
59.04984	9.3
61.02919	6.0
65.03914	3.3
67.05503	18.6
69.03430	37.6
69.07059	13.5
71.04996	13.3
71.34274	2.8
79.05495	21.7
81.03412	10.4
81.07061	24.9
83.04986	25.6
85.02908	30.3
85.06539	6.3
91.05474	25.0
92.60220	2.8
93.07045	52.0
94.06583	3.3
95.04973	20.3
95.08616	21.4
95.09185	3.6
97.02900	37.4
97.06523	7.5
97.10147	12.9
98.97543	3.7
99.04458	6.8
103.05480	4.4
105.07029	22.5
107.04956	11.8
107.08594	38.7
109.06505	22.3
109.10152	9.5
111.04408	4.4
111.08073	10.0
113.06009	6.5
115.05438	3.2
117.07019	8.9
119.04947	2.6
119.08576	25.1
121.06506	60.8
121.10135	26.1
123.08039	15.9
125.02423	3.6
125.05953	4.1
125.09600	6.6
127.03893	6.8
129.07010	4.3
130.07797	3.6
131.04926	3.1
131.08560	9.3
133.06537	2.3
133.10103	19.2
135.04437	2.5
135.08040	26.7
135.11670	19.0
137.06001	5.6
137.09622	33.7
139.07558	7.8
143.08582	4.7
144.09334	2.8
145.10124	24.8
146.07249	2.7
147.08054	15.0
147.09013	2.6
147.11694	5.0
149.02304	6.6
149.05965	12.0
149.09615	43.4
149.10712	4.4
149.13251	6.4
151.07541	2.6
151.11145	5.1
153.09102	2.6
159.08147	2.8
159.11670	27.3
161.09590	12.9
163.07509	4.9
163.11185	60.9
165.09113	24.8
167.07054	5.7
172.08813	2.7
175.11194	7.0
177.05513	4.2
177.09163	3.4
177.12747	34.9
179.10670	9.5
181.12259	8.0
186.77676	2.5
187.11154	17.4
193.05026	2.8
195.13811	3.9
205.12239	62.0
205.15837	3.1
208.03877	2.3
222.16769	2.4
223.05989	7.5
223.09651	4.5
223.11360	3.5
223.13281	100.0
223.16927	7.7
225.04272	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	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03935	0.4
55.05315	0.3
55.05519	3.2
56.56633	0.3
57.07067	1.5
59.05001	2.2
62.91070	0.2
67.05499	1.6
69.03430	1.4
69.07077	4.2
69.30229	2.2
71.04982	0.7
73.06535	1.0
79.05498	4.9
81.07068	4.5
83.04993	0.3
83.08633	1.9
84.08203	0.4
85.02912	0.4
85.06548	2.1
91.05483	3.5
93.07056	15.7
94.07378	0.4
95.04953	0.6
95.08614	7.2
97.06534	0.8
97.10170	0.6
99.08103	8.2
99.41976	0.4
105.06361	0.6
105.07035	6.0
107.08603	18.4
109.06522	1.4
109.10168	3.8
111.08086	1.7
117.07013	0.7
119.08591	13.2
121.10154	33.6
122.10382	0.7
123.08028	1.0
123.11713	1.0
125.09631	0.9
128.98486	0.3
131.08582	3.6
133.10150	7.3
135.08043	1.1
135.11694	9.0
137.09636	0.6
145.10129	8.5
147.10606	0.5
147.11696	5.0
149.09604	2.9
149.13258	2.7
152.45659	0.3
158.10936	0.6
159.11703	2.0
161.13229	2.6
161.83107	0.3
163.11195	9.8
163.14827	4.0
164.50142	0.3
165.12752	0.4
173.13257	2.0
175.14848	0.4
177.12804	2.5
177.16397	8.0
187.14841	11.4
188.15196	0.5
191.14316	0.5
205.15906	10.2
206.16292	0.4
208.12531	0.5
222.19539	0.3
223.16939	100.0
224.17244	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2057
Annotation	(2E,6E)-Farnesol
Peak:m/z	Relative Intensity
53.03933	3.0
55.01868	2.4
55.05240	1.4
55.05508	26.2
57.03432	1.5
57.07073	14.6
59.04997	6.3
62.89890	0.8
65.03927	1.7
67.05504	23.7
69.03414	2.6
69.07066	100.0
69.30626	5.9
70.07395	1.1
71.04990	6.8
71.08615	3.7
73.06561	1.0
79.05491	13.0
80.96338	0.9
81.03409	1.8
81.07056	59.5
82.07404	1.2
83.04958	2.5
83.08617	31.8
85.06528	6.2
85.10135	1.5
91.05468	6.8
93.07045	30.7
95.04972	5.5
95.08605	56.7
95.21722	0.9
96.08936	1.1
97.06530	3.2
97.10162	11.2
99.04414	1.2
99.08088	13.3
105.07024	4.0
107.04961	1.6
107.08590	27.6
109.06503	3.4
109.10149	43.5
110.85466	0.9
111.04446	1.0
111.08073	4.2
111.11726	17.4
113.09642	2.9
117.06985	1.5
119.08553	4.0
121.06509	2.0
121.10139	24.2
123.08061	2.2
123.11703	18.0
125.09612	3.4
125.13249	3.8
131.08571	1.4
133.06439	0.9
133.10114	2.1
135.08102	1.7
135.11696	17.2
137.09630	1.7
137.13251	4.6
139.11131	3.2
141.12621	1.2
145.10086	3.1
147.11632	1.2
149.02325	8.7
149.09602	3.1
149.13249	34.4
151.14816	0.9
153.12733	2.1
159.11636	2.6
161.13268	1.4
163.11182	2.4
163.14832	5.3
165.06984	1.5
165.16443	1.5
167.08559	2.1
167.14296	5.8
177.12766	2.0
177.16359	2.1
179.08461	1.1
181.10114	2.5
181.12189	1.4
183.11369	0.9
187.14912	1.2
193.10167	1.0
195.11688	1.2
205.12210	2.1
205.15912	3.3
205.19513	18.7
208.12405	1.1
223.05853	1.6
223.07808	1.6
223.11046	6.1
223.13258	6.3
223.14865	2.9
223.16917	3.1
223.20555	70.0
224.20886	3.1
225.04257	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36289	16.8
57.03445	16.6
60.45539	16.1
71.30870	29.8
73.02939	18.9
86.02425	21.5
87.04459	19.8
97.36617	16.1
101.02402	44.8
115.03910	32.7
127.30908	15.3
129.01836	100.0
133.05037	23.9
143.03413	26.8
146.04398	26.9
157.01385	28.8
161.04494	68.0
189.03944	35.6
224.09128	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	224.1282
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.01863	0.8
55.05511	5.1
56.05041	0.6
56.96571	0.8
57.03418	0.5
58.06613	3.5
59.05009	1.3
60.53039	0.4
65.03961	0.7
67.05503	1.6
68.05010	1.1
70.50426	0.9
71.04987	0.7
77.97071	0.4
79.05499	5.7
80.04967	0.5
81.03431	0.6
81.07068	0.9
82.06612	1.1
83.04984	9.2
86.06067	0.5
90.44476	0.4
91.05484	10.2
93.07030	2.2
95.04966	1.7
95.31566	0.5
97.06509	0.6
98.97570	0.9
99.04498	0.8
103.05472	12.7
104.05714	0.6
105.07031	38.8
106.07327	0.8
107.04947	5.5
107.08588	2.1
108.04456	0.6
109.06529	0.9
109.10134	1.1
110.06051	0.9
111.04424	0.6
111.08092	0.5
115.05418	0.8
117.07031	1.1
118.06548	15.0
119.04918	1.4
119.07296	2.0
119.08485	0.6
120.08110	21.1
121.06474	0.5
121.08455	0.9
121.10150	1.1
123.04414	0.7
123.08088	1.4
125.05972	0.8
125.09617	1.1
128.06223	7.7
130.06528	5.0
131.04939	3.2
131.07303	4.0
131.08568	1.9
132.07236	0.6
132.08090	2.5
136.07538	0.6
137.05986	0.9
143.08582	3.4
145.08859	0.9
147.04385	0.8
149.02312	0.8
149.09622	0.6
151.07603	0.5
158.06012	0.6
158.09628	0.5
160.11215	100.0
161.11607	2.7
163.11162	1.6
164.04346	0.4
165.05414	0.6
175.03883	1.6
176.86331	0.5
178.12271	77.8
179.12593	2.0
193.04883	0.5
201.00807	0.6
206.11746	11.3
207.06580	2.4
207.13815	0.6
224.09108	1.5
224.12808	24.9
225.12946	1.0
225.14896	1.7
226.04253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
53.76749	0.6
65.03928	4.0
69.17061	3.9
77.03916	1.4
79.05496	1.1
79.33456	0.5
81.07037	0.8
89.03916	2.2
90.69316	0.6
91.05482	58.6
92.05798	0.9
93.03412	0.7
93.07005	0.8
95.04970	2.0
98.22597	1.4
103.05435	1.7
104.02600	1.2
105.03384	2.1
105.04528	0.8
107.04956	1.3
108.05737	1.0
117.03399	0.9
118.04176	8.8
119.04945	56.1
121.02842	1.7
121.10160	0.6
122.03674	1.0
123.04466	1.2
129.03366	0.8
132.02080	4.3
133.02838	1.2
135.04407	1.6
136.05171	2.3
145.02881	1.1
146.03645	2.4
147.04405	45.6
149.02345	9.0
150.03105	0.7
153.05453	0.6
157.03937	6.0
160.01602	0.7
162.03192	1.3
163.03902	1.8
164.04666	7.0
174.03197	1.7
175.03908	82.5
176.04250	2.0
177.01814	3.5
179.07039	5.0
183.06496	1.6
192.04175	24.6
193.04739	0.7
207.06525	100.0
208.06882	3.4
225.02164	1.1
225.07552	1.1
249.13293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02386	0.7
53.03944	2.2
53.96436	0.5
55.01870	1.5
55.05509	4.2
57.03434	1.9
57.07086	0.8
65.03942	5.8
67.05508	4.5
69.03434	2.3
69.07070	4.6
70.91398	1.4
71.05002	4.4
71.94134	0.6
77.03930	1.7
79.05501	4.7
81.03424	4.2
81.07073	5.8
83.01363	1.8
83.04982	5.4
83.08628	1.3
85.02925	1.6
85.06556	1.9
89.03924	2.7
91.05483	65.6
91.98087	0.6
92.05821	1.0
93.03389	0.6
93.07051	4.9
94.04182	0.7
95.04967	7.4
95.08610	5.4
97.06534	3.6
98.97560	0.9
99.04451	5.7
103.05473	2.4
105.03392	2.1
105.04530	0.9
105.07042	6.0
107.04939	4.0
107.08590	7.5
108.05772	0.8
109.06519	5.1
109.10165	3.6
111.04486	1.1
111.08091	1.5
115.07574	0.9
117.03324	0.9
117.07016	1.3
118.04158	7.0
119.04947	64.9
119.08585	6.6
120.05316	1.2
120.08121	3.6
121.02875	1.8
121.06483	1.8
121.10143	4.5
122.03596	0.8
123.04431	2.5
123.08059	5.0
123.11700	2.2
125.06001	2.5
125.09650	2.6
127.07579	1.2
128.06233	0.8
129.03410	1.5
129.04478	0.9
131.08586	0.8
132.02066	4.4
133.02840	2.3
133.06479	1.0
133.10165	2.9
135.04416	2.1
135.08025	1.8
135.11696	1.4
136.05209	2.7
137.02342	7.7
137.05975	2.0
137.09618	2.2
137.13271	0.9
138.09149	0.6
139.07530	1.3
143.08595	0.9
145.02879	1.5
145.10114	1.7
146.03615	1.8
147.04411	49.2
147.11693	3.1
149.02354	8.7
149.09592	3.8
150.03032	0.6
151.03874	1.3
151.07545	2.6
151.11157	1.8
153.05464	1.1
153.09116	1.4
155.07066	1.1
155.08560	0.7
156.09384	0.7
157.03961	6.5
159.11639	0.8
161.09596	1.0
161.13255	2.4
163.03938	2.2
163.11169	4.5
164.04709	7.3
165.05475	2.0
165.09114	1.7
165.12752	1.9
167.07034	1.7
167.10657	1.9
169.09998	0.7
171.11702	1.4
174.03157	1.5
175.03912	84.3
176.04323	2.0
177.01788	3.4
177.12750	1.3
179.07039	4.4
179.08411	0.8
180.04146	3.1
180.10182	1.0
181.08609	0.6
181.12209	2.0
183.06477	3.3
189.12775	4.1
192.04170	28.2
193.05057	3.2
207.06528	100.0
207.13811	6.3
208.06876	1.9
225.02031	0.7
225.07573	2.6
225.11101	1.3
225.14819	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	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03948	1.3
55.01875	2.1
65.03940	5.1
69.07059	1.1
70.57262	2.2
71.04992	2.3
81.07067	1.6
85.57753	1.1
89.03922	2.9
89.14474	0.8
90.19469	0.8
91.05485	64.6
93.03439	1.4
93.07039	1.9
95.04971	7.7
99.04470	3.8
100.29575	1.2
103.05460	6.1
104.02624	1.8
105.03416	1.3
105.07096	1.0
107.04960	2.7
107.08615	2.7
107.20126	0.9
109.06536	2.5
117.03425	1.0
118.04157	5.2
119.04949	67.4
119.08585	1.0
120.05267	1.1
121.02882	2.5
121.06515	3.1
121.10147	2.8
123.04436	6.0
123.08033	1.1
129.03342	1.1
131.04951	2.5
132.02113	4.3
133.02884	2.1
135.04440	1.7
136.05203	2.4
137.02338	1.9
137.06000	2.4
145.02824	1.4
146.03604	2.0
147.04414	53.4
149.02338	9.0
149.05998	2.4
149.09644	1.4
153.05505	1.0
157.03979	6.6
163.03951	1.1
164.04689	7.7
165.05437	1.1
167.10709	1.7
174.03096	1.7
175.03912	88.8
176.04219	2.5
177.01892	2.3
178.33894	1.0
179.07086	4.4
180.04143	2.0
183.06435	2.0
183.13768	1.3
192.04184	27.6
193.05009	8.7
198.77092	1.0
207.06529	100.0
208.06870	3.1
225.07568	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03948	1.2
53.76749	0.6
65.03928	4.0
69.17061	3.9
77.03916	1.4
79.05496	1.1
79.33456	0.5
81.07037	0.8
89.03916	2.2
90.69316	0.6
91.05482	58.6
92.05798	0.9
93.03412	0.7
93.07005	0.8
95.04970	2.0
98.22597	1.4
103.05435	1.7
104.02600	1.2
105.03384	2.1
105.04528	0.8
107.04956	1.3
108.05737	1.0
117.03399	0.9
118.04176	8.8
119.04945	56.1
121.02842	1.7
121.10160	0.6
122.03674	1.0
123.04466	1.2
129.03366	0.8
132.02080	4.3
133.02838	1.2
135.04407	1.6
136.05171	2.3
145.02881	1.1
146.03645	2.4
147.04405	45.6
149.02345	9.0
150.03105	0.7
153.05453	0.6
157.03937	6.0
160.01602	0.7
162.03192	1.3
163.03902	1.8
164.04666	7.0
174.03197	1.7
175.03908	82.5
176.04250	2.0
177.01814	3.5
179.07039	5.0
183.06496	1.6
192.04175	24.6
193.04739	0.7
207.06525	100.0
208.06882	3.4
225.02164	1.1
225.07552	1.1
249.13293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01869	3.6
55.05512	19.8
57.03448	2.1
57.07079	1.7
65.03940	6.1
67.05513	6.9
69.03440	4.5
69.07067	8.3
71.04980	6.7
71.31090	1.5
74.93614	1.1
77.03927	1.9
79.05494	7.9
81.03411	9.1
81.07053	9.8
83.04983	40.0
83.08675	1.3
85.02915	5.6
85.06554	2.4
87.04464	1.3
89.03922	2.4
91.05482	64.3
92.05821	1.3
93.03407	1.1
93.07041	9.8
95.04367	2.0
95.04966	29.6
95.05547	1.7
95.08606	8.5
97.02873	1.7
97.06527	4.5
97.10168	1.1
99.04458	8.8
103.05452	3.1
105.03396	2.5
105.07018	8.7
107.04975	6.0
107.08592	13.6
109.02905	1.7
109.06516	9.8
109.10185	8.6
111.04453	2.4
111.08097	2.2
115.05467	1.7
115.07570	1.5
117.07030	2.0
118.04170	8.0
119.04944	75.8
119.08579	9.8
120.05279	2.1
121.02862	3.4
121.06528	3.0
121.10147	9.4
122.03610	1.2
123.04478	5.4
123.08076	14.7
123.11758	2.8
125.05969	6.1
125.09617	5.9
126.87296	1.1
127.11195	1.0
131.08597	1.9
132.02075	5.9
133.02867	2.5
133.06549	1.2
133.10123	5.5
135.04434	4.2
135.08066	2.6
135.11760	1.4
136.05244	3.0
137.02332	19.7
137.06013	4.2
137.09628	5.0
137.13235	1.5
139.11180	2.0
141.09090	1.6
145.02815	1.5
145.10107	3.2
146.03668	2.6
147.04416	51.3
147.08038	2.4
147.11711	4.6
148.04785	2.2
149.02348	9.6
149.09616	8.7
151.03934	7.6
151.04980	1.7
151.07556	5.1
151.11174	5.6
153.05521	1.7
153.09109	6.7
155.07021	1.6
156.09343	1.9
157.03967	4.7
159.11751	2.6
160.01604	1.2
160.52335	1.2
161.09653	2.2
161.13257	3.4
163.03949	3.0
163.11183	11.9
164.04668	6.6
164.40891	1.2
165.05536	2.8
165.09180	2.3
165.12764	3.2
167.07028	3.7
167.10695	3.7
169.08699	1.2
171.11725	2.1
174.03125	2.2
175.03905	87.5
176.04337	2.4
177.01825	2.3
179.07039	6.5
179.14294	1.8
180.04193	3.3
181.12274	3.9
183.06529	2.5
183.13786	1.6
189.12784	6.2
192.02396	2.1
192.04155	29.6
192.05779	2.0
193.04953	4.1
207.06526	100.0
207.10173	5.6
207.13809	12.2
208.06900	4.1
225.07552	4.4
225.11302	1.7
225.14825	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	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03942	10.2
55.01871	19.4
55.05515	38.3
57.03440	18.3
57.07081	6.3
57.68848	3.1
59.05005	9.1
65.03932	10.9
67.05505	67.6
69.03426	28.4
69.07076	49.2
69.46866	3.8
71.01340	4.3
71.04993	48.6
78.91515	3.8
79.05498	56.5
81.03418	34.7
81.07064	100.0
83.04970	38.1
83.08621	18.7
85.02902	52.2
85.06538	20.2
87.04469	5.5
91.05482	68.7
93.07040	63.3
95.04974	36.6
95.08607	93.8
97.02906	5.5
97.06530	43.3
99.04453	47.4
99.08109	7.5
100.11241	13.6
105.03403	8.7
105.04527	3.7
105.07034	80.3
107.04955	22.7
107.08595	84.5
109.02853	10.1
109.06529	61.0
109.10158	52.0
111.04425	13.4
111.08071	23.3
113.05993	6.0
113.09635	4.8
115.07555	5.0
117.07016	13.6
119.04946	17.2
119.06126	4.0
119.08575	86.0
121.06504	13.5
121.10152	80.3
123.04427	14.9
123.08064	76.4
123.11708	48.1
125.05961	15.8
125.09628	16.8
127.07568	5.5
131.08580	13.4
133.02798	9.0
133.06483	10.8
133.10139	46.5
135.04468	6.1
135.08034	17.4
135.11694	27.0
136.05142	4.2
137.02344	31.7
137.05957	23.4
137.09615	44.5
137.13235	7.3
139.03947	3.6
139.07549	6.5
139.11154	14.4
139.94853	3.4
140.04642	4.4
141.07057	4.3
143.08585	12.3
145.06517	3.7
145.10129	16.2
147.04382	11.0
147.08028	22.1
147.11688	51.8
149.09607	47.7
149.13223	4.7
151.07529	16.5
151.11159	20.5
153.05453	11.4
153.09129	6.7
154.12270	10.6
156.09329	15.8
159.08049	5.1
159.11772	6.5
161.02229	4.2
161.09598	32.3
161.13251	43.0
163.03897	8.6
163.11188	30.9
165.05495	16.1
165.06842	4.8
165.09105	30.1
165.11479	6.1
165.12759	47.7
167.03566	4.7
167.07060	43.2
167.10709	14.0
169.10078	3.9
171.11676	8.9
171.15025	4.1
174.10428	5.5
175.03915	11.8
177.12741	14.1
179.07098	7.8
179.10661	6.6
179.14265	9.5
180.04181	11.3
181.05013	6.3
181.12215	6.8
183.06543	5.9
183.11674	8.5
183.13783	21.5
189.12753	46.3
189.16423	6.5
193.04898	18.7
197.08064	4.5
207.06544	16.8
207.10123	11.3
207.13824	81.7
207.20793	3.6
210.06825	3.6
225.07483	10.9
225.09207	10.2
225.11134	9.0
225.14745	63.3
225.18446	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	225.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.0
57.07078	2.3
60.64904	0.8
65.03931	1.3
67.05497	4.2
69.03439	1.7
71.04978	1.2
71.12173	1.4
77.03951	0.8
79.05501	3.1
81.07057	19.8
81.07518	1.2
83.05009	1.1
83.08644	0.8
85.02905	100.0
89.03926	0.8
91.05481	12.2
93.07066	2.4
95.08597	4.7
105.07047	3.8
107.08619	3.6
109.06548	1.2
109.10168	10.0
111.04407	0.9
115.49726	0.8
118.04147	1.6
119.04955	9.3
119.08595	3.8
121.10165	8.5
123.04418	0.9
123.08102	1.7
123.11707	67.9
124.12055	1.8
125.05991	6.2
125.09608	1.9
131.08572	1.0
132.02069	0.8
137.09581	1.3
139.11148	0.8
145.10147	1.5
147.04419	8.5
147.08067	1.7
147.11708	2.8
149.02415	0.8
149.09622	7.5
151.07538	2.3
157.04013	1.3
167.10661	1.4
175.03899	11.1
177.01868	0.9
189.12749	4.0
192.04222	4.8
207.06560	13.1
207.13832	12.2
222.67944	0.9
225.14885	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01876	13.3
55.05518	25.6
56.37075	4.6
57.03434	7.7
59.04995	43.7
67.05511	30.1
67.26820	4.5
69.03429	17.2
69.07076	19.6
69.30514	36.1
71.04995	21.4
73.45932	5.1
74.97317	4.6
79.05524	28.1
81.07072	35.9
83.04986	15.5
83.08624	6.1
85.02911	25.2
85.06535	7.4
91.05496	30.8
93.07037	46.9
95.04955	15.4
95.08595	37.2
97.06547	14.5
99.04479	19.2
105.07036	61.2
107.04953	8.8
107.08599	100.0
109.06495	28.4
109.10171	20.2
111.08089	10.5
117.07138	4.8
119.04977	7.6
119.08593	50.3
119.77089	5.1
121.06544	7.8
121.10139	43.9
123.04498	8.0
123.08071	85.7
123.11702	5.5
125.05984	7.0
125.09637	10.7
133.06477	8.1
133.10156	23.0
135.08064	37.3
135.11702	18.6
137.09619	49.6
143.08563	4.9
147.04425	6.0
147.08058	7.1
147.11685	39.7
149.09607	17.2
151.07607	5.8
153.09138	14.3
156.09293	7.8
161.13275	25.8
163.11208	10.4
165.12686	10.1
167.07094	7.1
171.11673	11.2
177.12740	6.3
189.12752	22.4
207.13745	26.2
225.14900	14.1
228.38393	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.185
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
55.05512	32.1
62.81275	12.0
67.05492	32.8
69.07067	24.1
71.32299	15.1
79.05479	11.2
81.07058	67.7
83.08615	32.1
93.07048	26.1
95.08606	100.0
97.06550	14.7
97.10175	16.7
99.62695	11.0
105.07040	20.8
107.08599	38.2
109.10157	78.5
111.08096	22.2
116.09686	9.7
119.08584	33.8
121.10138	30.1
123.11712	33.5
124.41566	9.4
133.10129	33.3
135.11703	27.2
137.09604	16.3
137.13298	19.8
141.19719	9.1
147.11696	44.0
149.13278	45.6
151.11305	9.5
151.14813	26.2
155.08643	10.0
155.84552	8.6
169.10118	23.4
174.02046	9.6
183.11761	16.4
189.16360	94.2
207.17459	74.0
210.14117	14.4
225.09050	11.0
225.12749	18.9
225.14793	44.7
225.16779	59.1
225.19691	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	226.1073
Annotation	Radicamine B
Peak:m/z	Relative Intensity
51.05336	0.2
56.05033	3.1
56.96571	0.4
57.03460	0.3
60.04525	100.0
61.02910	0.2
61.04863	0.4
63.61400	0.2
70.12250	0.6
70.12640	0.5
72.04519	3.7
74.06070	1.4
78.88277	0.2
79.05482	0.3
83.06099	1.3
84.04535	0.4
84.08162	1.6
85.02985	0.2
85.90481	0.3
89.34629	0.3
90.05556	6.9
91.81478	0.3
93.07108	0.3
98.97640	0.3
101.00896	0.4
107.04957	13.3
119.01919	0.4
119.04980	0.4
133.06468	0.4
145.03485	0.3
145.06520	0.8
147.04401	3.9
149.06017	0.3
160.07661	0.3
161.02953	0.3
161.06047	0.8
162.09164	0.3
167.07120	0.3
169.18990	0.3
169.31767	0.3
172.07538	0.4
173.06058	0.3
180.10231	0.4
188.97186	0.4
190.08621	1.5
191.07088	0.5
203.04045	0.5
204.29688	0.3
208.09723	1.1
221.05153	0.8
226.10730	7.0
227.10120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.92184	0.4
53.03934	1.5
55.01877	5.5
57.03429	0.7
65.03941	8.6
67.05510	3.4
69.03429	1.1
69.15498	0.4
69.32712	2.3
73.02924	39.0
77.03947	0.6
79.05487	1.3
81.03427	0.7
82.04205	2.1
85.02911	4.6
91.05480	2.1
93.03410	3.0
93.07024	0.9
95.04978	4.9
97.02923	0.9
97.06514	2.2
98.22653	0.7
103.05475	0.9
107.04958	0.8
108.02110	2.0
110.03656	3.6
111.04475	1.1
113.34899	0.4
121.06503	2.1
123.04439	9.4
125.02319	3.2
125.05994	2.6
138.03125	1.6
140.04688	51.9
141.01877	0.6
141.05051	0.9
142.02615	2.8
144.77216	0.5
149.06010	1.0
153.05466	4.3
155.07037	54.1
156.07304	1.2
166.06296	0.5
167.07047	1.8
171.06523	4.5
173.08072	2.7
177.05415	0.6
179.07097	2.5
181.04967	100.0
182.05322	1.5
209.08109	19.8
209.10103	1.0
227.09163	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	227.0913
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
51.02361	0.8
53.03946	1.7
55.01871	6.6
55.05513	0.9
57.03425	0.6
65.03936	0.9
67.05493	1.3
68.05048	0.3
69.03423	0.9
69.07069	2.6
71.04991	1.3
71.31387	0.3
71.31818	0.4
71.47196	0.3
73.02911	1.1
77.03909	0.4
78.04710	3.7
79.05490	3.7
81.03405	0.6
81.07061	2.9
83.04963	1.7
83.08627	0.8
83.50770	0.4
85.02927	0.7
85.06556	0.8
86.09711	1.4
87.04459	1.4
89.03924	1.4
91.05477	9.6
93.03448	0.3
93.07063	5.1
94.04188	0.6
95.04977	3.2
95.08592	0.9
96.05731	0.4
97.06528	1.4
99.04443	0.9
99.08088	1.3
100.11266	1.9
103.05461	7.3
105.03397	0.9
105.04491	0.6
105.07036	1.1
106.04164	3.3
107.04947	4.3
107.08578	1.5
109.06488	1.2
109.10168	0.6
111.04426	4.2
111.08080	14.7
113.06023	0.5
115.03900	0.5
117.03347	1.1
119.04924	1.9
119.08605	0.6
121.06505	14.0
121.10141	1.5
122.03643	1.2
123.04420	8.6
123.08080	0.6
123.11691	0.8
124.05220	2.5
125.05991	0.9
125.09648	0.5
129.05478	0.6
131.04939	5.6
131.05933	0.7
131.08566	0.8
133.02859	1.1
133.10126	0.7
134.03613	2.2
135.04428	2.3
135.08020	0.6
135.97972	0.4
137.05978	9.4
137.07030	0.5
137.09604	0.5
140.04669	4.0
143.08591	0.4
143.43527	0.3
145.02834	1.2
145.10107	0.6
147.04402	0.8
147.11719	0.4
148.05203	2.5
149.05983	14.3
149.09613	1.6
149.13225	0.6
151.03882	1.9
151.11157	0.7
152.04646	2.2
152.83720	0.4
153.05406	0.5
155.07034	2.5
155.08167	0.4
157.10138	0.7
159.04434	3.5
159.05627	0.6
163.03889	1.1
163.07506	0.7
163.11183	0.8
165.05479	1.3
167.07036	100.0
168.07376	2.6
171.11676	0.7
176.04691	1.2
177.05467	27.0
178.05978	1.2
179.06952	0.5
181.04947	1.5
181.08614	1.2
185.13246	0.5
191.07036	1.4
191.10698	1.0
191.14325	0.5
194.05740	1.5
195.06503	0.9
209.08051	6.1
209.11659	1.9
209.15247	0.5
227.08879	0.7
227.10796	0.7
227.12654	0.8
227.14502	0.7
227.17773	1.2
233.53186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01874	4.4
55.05505	3.4
57.03436	2.9
57.07071	5.7
64.87769	1.5
65.03922	2.2
67.05503	27.6
69.03436	2.3
69.07058	5.6
70.45605	3.4
71.04988	20.3
73.02911	7.3
76.10675	1.6
79.05490	28.7
80.27962	1.6
81.07047	6.8
83.04973	6.9
85.02931	2.1
85.06543	100.0
91.05470	22.6
93.07037	28.3
95.04974	12.2
95.08602	3.3
97.06538	6.1
99.08088	6.3
105.07032	19.9
107.04961	13.2
107.08591	28.9
109.06496	6.7
110.67210	1.7
111.04431	12.7
116.06329	2.0
117.07030	5.5
119.08583	16.2
121.06513	18.7
121.10143	20.8
123.04420	4.3
123.08076	2.5
125.05992	6.0
129.07008	4.9
131.08566	68.7
133.10130	3.3
135.08040	2.5
135.11682	5.5
137.09570	7.9
140.04720	13.0
145.10107	29.6
147.08057	6.2
149.05965	2.5
149.09618	62.5
153.05461	4.3
155.07051	16.5
155.08307	2.9
163.07506	2.2
163.11169	23.7
165.09143	9.8
167.10684	28.7
173.09593	8.9
181.04962	21.5
181.08688	2.1
191.10660	52.0
197.11804	1.9
198.22185	1.8
198.73381	1.7
209.08208	4.4
209.11725	46.9
227.09154	4.1
227.12729	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.3
55.01872	5.1
55.05518	6.8
57.03432	3.1
57.07081	7.0
58.79489	1.0
63.35074	1.1
64.82476	1.1
65.03943	2.9
65.83698	1.1
67.05511	31.2
69.03435	5.2
69.07065	7.5
69.18257	1.7
69.18660	7.8
71.04998	22.4
73.02927	3.5
79.05497	36.2
81.03417	2.0
81.07059	15.6
83.04984	12.1
85.06549	100.0
86.09721	5.0
91.05489	26.3
92.05801	1.1
93.07047	35.3
93.07627	2.1
95.04981	19.7
95.08623	8.6
97.06525	10.1
98.97620	1.2
99.04469	3.9
99.08119	6.4
100.11270	4.9
101.06025	1.2
103.05485	2.8
105.07036	27.2
107.04966	12.7
107.07863	2.1
107.08599	45.1
109.06551	8.2
109.10175	5.6
111.04443	11.7
111.08113	2.6
117.07042	8.2
119.08586	23.2
121.06516	18.6
121.10152	29.8
123.04458	4.1
123.08099	4.0
123.11739	1.8
125.05995	10.6
125.09666	2.1
127.03918	1.3
127.07530	1.1
129.07010	8.6
130.07803	1.8
131.08574	70.6
132.08922	2.0
133.10118	9.0
135.04430	1.6
135.08084	5.4
135.11647	8.0
137.05959	1.6
137.09618	9.4
139.07556	1.9
139.11218	2.6
140.04684	5.3
143.07077	1.3
143.08585	2.0
145.06470	1.9
145.10123	33.3
147.08064	6.0
147.11719	4.0
149.06003	6.8
149.09625	69.7
149.13289	5.0
150.10005	2.3
151.11218	3.6
153.05499	4.5
153.09131	3.2
154.20746	1.2
155.07060	6.0
155.08379	1.8
163.07529	3.1
163.11189	26.7
163.12466	2.5
163.14841	2.0
165.09132	13.6
165.12790	1.2
167.05731	2.1
167.07062	18.8
167.08409	2.2
167.10678	38.2
173.09636	10.5
173.13307	3.5
177.05627	2.4
179.10684	1.9
181.04991	8.3
191.10678	57.5
191.14351	2.8
195.06606	2.1
197.11809	2.2
209.08241	3.5
209.11739	49.1
209.15355	4.0
227.06996	2.0
227.08951	1.7
227.12787	13.3
227.16228	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03925	4.5
55.01867	3.8
55.05510	10.4
57.03413	4.7
57.07056	6.4
59.05012	8.1
65.03930	2.9
67.05509	12.8
69.03400	6.7
69.07072	15.0
71.04994	27.0
71.31420	2.2
71.42157	1.5
73.02889	2.5
73.06535	3.5
75.79358	1.5
78.04691	3.6
79.05501	13.5
80.83431	1.4
81.07059	25.8
83.04973	4.9
83.08604	6.9
85.02872	2.6
85.06076	1.8
85.06547	20.1
86.09686	5.2
90.55399	1.6
91.05490	17.7
93.06482	1.8
93.07050	28.8
95.04970	91.2
95.08607	18.0
97.05917	2.3
97.06533	44.8
97.10136	5.7
99.04459	14.3
99.08097	33.2
100.11259	12.2
103.05491	11.2
104.05853	1.7
105.07034	15.3
106.04134	2.2
107.04922	5.9
107.08595	29.2
109.06515	25.3
109.10146	11.1
110.97690	1.9
111.04409	2.5
111.08077	8.0
113.05980	2.9
113.09617	3.8
115.07595	8.5
116.88774	1.5
117.03385	2.0
117.06986	2.1
119.04983	2.4
119.08586	8.6
121.06505	30.7
121.10147	28.3
123.04448	10.4
123.08015	3.5
123.11686	6.9
124.05165	2.6
125.05932	2.4
125.09612	16.1
127.07573	13.5
131.04929	6.9
131.08572	13.0
133.09236	2.2
133.10138	33.7
134.03560	1.6
135.08028	7.3
135.11700	10.4
137.06006	9.1
137.09613	9.6
138.91170	1.7
139.11185	11.6
140.04694	11.3
143.08623	2.3
143.10635	6.5
145.02782	2.6
145.10078	7.2
147.04207	1.7
147.11652	8.6
148.05177	2.1
149.05960	21.0
149.09598	7.3
149.13245	10.7
151.03856	1.8
151.11150	5.7
153.09102	28.0
155.06964	5.0
159.04434	3.9
163.11168	2.3
163.14812	5.3
165.12712	2.3
167.07045	100.0
167.10698	3.7
168.07295	3.8
171.10188	21.0
171.11656	3.3
173.13292	15.8
177.03995	2.6
177.05472	40.9
178.05960	1.8
181.04997	8.7
181.08539	6.9
191.10733	3.7
191.14389	11.5
195.06471	2.1
195.08032	2.1
199.07555	2.1
209.08000	9.5
209.11723	2.4
209.15297	14.9
227.06941	3.3
227.10567	4.6
227.14555	2.6
227.16367	58.8
228.23404	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03953	3.1
55.01877	5.6
55.05513	33.8
56.05871	2.6
57.03441	7.4
57.07071	7.2
58.02962	2.3
59.05001	5.8
65.03934	2.0
65.31995	1.8
67.05509	15.0
69.03436	10.3
69.07068	18.8
69.19348	12.1
71.04993	36.1
73.02923	5.1
73.06524	3.0
79.05491	14.6
81.07061	25.5
82.06581	5.6
83.04966	10.6
83.08612	22.2
85.06545	15.2
86.09706	2.2
91.05463	15.6
93.07050	32.3
95.04971	97.2
95.08607	29.8
97.06539	26.2
97.10181	6.5
98.09718	2.4
98.23381	4.1
99.04462	19.4
99.08092	38.6
100.09446	4.5
100.11259	100.0
101.11589	10.0
103.05477	4.4
105.07020	17.4
107.04948	3.5
107.08595	35.8
109.06524	23.1
109.10145	18.5
110.06049	3.3
111.04446	5.2
111.08048	9.1
113.06059	2.7
113.09643	3.5
114.09148	10.2
115.07574	7.5
117.07052	2.9
117.13947	3.2
119.08574	12.1
121.06510	7.9
121.10136	33.7
123.04440	5.9
123.08083	6.1
123.11694	11.8
125.06017	2.1
125.09631	16.3
127.07564	17.0
128.07097	3.6
129.07047	2.0
131.04915	2.7
131.08594	8.1
133.10130	45.3
134.10597	2.1
135.08075	8.0
135.11699	13.3
137.09656	6.8
139.11185	16.4
140.04694	7.0
141.11530	7.1
142.08656	5.2
143.08682	3.2
143.10684	10.0
145.10107	3.6
147.11661	9.9
149.06004	5.3
149.09662	3.3
149.13235	10.8
150.87357	2.0
151.11182	8.8
153.05501	2.3
153.09090	28.3
154.12305	2.5
155.07050	4.9
162.86836	1.9
163.14832	6.9
165.12729	3.0
167.07039	24.0
167.08371	3.8
168.13820	3.4
169.08635	4.7
171.08032	2.0
171.10199	17.6
173.13260	22.6
177.05482	7.3
181.04979	12.2
182.15337	8.8
191.14297	12.9
194.05719	2.3
196.13348	5.7
198.32565	1.9
199.18030	2.8
209.08066	4.9
209.15321	9.8
209.16769	6.2
210.14943	4.1
212.06612	2.2
213.17851	4.4
216.33798	1.8
227.07005	2.6
227.08853	5.0
227.10754	4.0
227.13985	2.8
227.16518	46.2
227.19579	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03939	3.8
55.01863	3.6
55.05508	8.8
57.03433	7.3
57.07068	5.7
59.05005	6.4
60.04527	1.7
65.03931	3.6
65.81841	1.5
67.05501	8.4
69.03422	5.8
69.07075	20.4
69.49134	7.2
70.06569	2.2
71.04610	1.5
71.04998	28.8
73.02930	10.7
73.06551	5.0
76.28229	1.2
78.04716	1.8
79.05497	10.1
81.03412	3.2
81.07062	18.7
81.07526	2.2
83.05001	7.3
83.08611	6.2
84.04535	2.2
84.08157	1.8
85.02880	1.6
85.06541	10.8
86.09711	100.0
91.05470	11.2
93.07048	25.2
95.04973	95.0
95.08604	16.7
97.02853	1.9
97.06535	20.1
97.10159	5.1
99.04481	12.2
99.08096	33.6
100.11235	2.5
103.05478	3.8
104.12814	1.5
105.07040	13.3
107.04956	2.5
107.08596	21.4
109.06532	18.5
109.10165	12.0
110.07159	2.4
111.04451	1.8
111.05591	1.5
111.08083	7.6
113.02476	1.3
113.05973	1.6
113.09653	1.7
115.07590	9.3
119.08576	7.1
120.10916	1.4
120.36311	1.6
121.06542	9.1
121.09299	2.1
121.10150	28.8
123.04438	5.0
123.08060	3.0
123.11703	9.1
125.05989	1.9
125.09642	14.5
127.07559	16.7
131.04964	2.4
131.08559	6.7
133.10139	35.0
134.10431	2.1
135.08038	5.5
135.11679	7.3
137.05952	3.4
137.09615	5.5
139.07513	1.7
139.11176	14.8
140.04698	14.5
143.08516	1.4
143.10658	10.2
145.10141	2.8
147.11720	7.5
149.05923	3.9
149.07062	2.8
149.09633	1.9
149.13254	9.1
151.11145	4.8
153.05417	2.2
153.07118	1.4
153.09100	24.5
155.07045	13.1
158.10867	2.4
163.07503	3.2
163.08784	1.6
163.14784	4.9
165.12759	1.6
167.07051	25.0
171.10168	17.9
173.13242	13.7
174.88528	1.5
177.05516	11.0
179.03410	3.9
181.04964	23.5
181.06456	2.6
181.08537	2.4
184.05211	1.5
191.08197	2.0
191.14337	12.4
194.05739	7.6
195.06638	3.4
199.07497	2.1
199.18103	3.3
209.08026	14.7
209.15326	15.5
210.07579	1.6
227.06982	4.5
227.08986	3.4
227.16402	63.8
228.08687	1.7
228.16696	1.8
228.23264	2.2
233.79320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.05506	5.1
57.07074	1.4
65.68011	1.3
67.05173	2.0
67.05507	24.5
69.07076	4.7
70.72361	2.0
71.04993	100.0
79.05489	12.1
81.07058	34.8
82.04062	1.3
83.04955	2.0
83.08623	2.5
85.06534	1.9
91.05486	6.4
93.07039	15.6
95.04972	1.3
95.08606	17.2
96.09713	1.3
97.06517	3.6
99.08071	1.4
100.11272	3.8
105.07043	1.8
107.08571	8.3
109.10149	3.0
111.08089	2.6
114.22484	1.2
117.07024	4.6
119.08530	1.5
121.06509	1.3
121.10125	3.1
131.08594	4.6
133.10184	5.0
135.08104	1.3
135.11702	10.0
137.07108	1.3
149.07066	1.6
149.13274	5.4
158.74817	1.1
159.11627	7.2
167.07056	1.5
175.14777	1.4
177.12747	3.0
197.56540	1.3
227.10481	2.0
228.23210	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03941	1.7
55.05504	9.9
57.03428	4.1
57.07071	6.4
58.18369	1.5
59.05002	7.6
67.05508	7.8
69.03414	4.7
69.04914	6.3
69.05341	9.7
69.07063	13.5
71.04602	1.6
71.04993	24.8
73.02904	3.6
73.06547	3.1
77.03944	1.6
79.05490	9.3
81.03416	2.7
81.07050	16.1
83.04974	8.3
83.08601	6.1
85.06538	9.3
86.09731	10.3
88.30628	1.4
91.05479	9.9
93.07054	24.6
95.04972	100.0
95.08601	15.3
97.06534	18.8
97.10152	5.1
98.22546	2.6
98.97527	1.5
99.04465	11.3
99.08096	32.6
101.06007	1.9
103.05440	3.3
105.07021	13.1
107.04940	1.8
107.08598	24.3
109.06523	19.4
109.10167	14.5
111.08092	9.2
113.05978	2.4
113.09657	2.5
115.07590	10.2
119.08580	7.5
121.06476	3.9
121.10146	27.9
123.04449	2.9
123.08047	4.1
123.11702	6.9
125.09648	13.5
127.07560	14.4
128.71539	1.6
131.04893	2.1
131.08565	6.1
133.10136	33.5
135.04419	1.8
135.08067	8.1
135.11676	9.0
137.05980	5.1
137.09612	6.9
139.11172	10.6
140.04663	4.5
143.10680	7.5
145.10144	3.0
147.11705	8.9
149.05963	4.5
149.13264	10.2
151.11165	6.2
153.09103	26.8
155.07027	5.2
163.07536	2.2
163.14799	6.1
167.07051	38.0
167.14304	2.3
171.10207	16.9
173.13301	12.6
177.05492	9.5
181.04938	5.7
184.05208	2.9
191.14325	11.1
204.66226	1.7
209.08090	5.7
209.15358	15.8
214.41548	1.9
227.07013	3.8
227.16406	53.2
228.16780	2.4
232.88339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.96558	11.8
69.03427	0.7
69.07065	0.7
69.41908	0.8
69.42304	2.6
70.06577	1.6
71.05029	0.5
72.08149	1.0
74.97610	1.1
75.34389	0.4
76.74934	0.4
81.03403	1.0
82.66402	0.5
84.04487	0.6
84.08095	0.7
85.02910	0.8
85.06546	0.5
86.09695	1.6
93.07030	0.6
96.04488	0.7
97.02872	1.6
98.97582	3.8
99.04518	0.5
106.81844	0.4
109.99187	0.8
112.03984	0.7
112.07638	0.6
114.05565	0.9
116.07060	0.7
116.98607	1.4
120.08027	0.5
124.07574	0.6
127.03879	0.5
134.99692	1.0
138.02228	1.1
140.07066	0.6
141.10239	0.6
143.05722	0.7
154.08601	0.6
156.03322	86.4
157.03673	0.5
160.02864	0.5
167.07089	1.4
168.03320	15.7
168.07433	2.6
174.04391	83.2
175.04803	1.2
178.05852	0.8
179.83971	0.5
182.08125	1.3
186.04390	100.0
187.04721	1.3
192.05432	12.2
197.05991	1.2
200.09175	0.9
204.05450	88.6
205.05791	1.1
206.05855	0.5
209.05965	1.9
210.07663	0.6
222.06493	4.3
227.07043	1.4
228.01723	0.6
228.05428	13.4
228.08688	1.4
228.12395	1.1
228.23190	1.9
229.06046	0.5
229.15462	1.2
246.06500	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.102
Annotation	Clausenol
Peak:m/z	Relative Intensity
51.74593	0.8
55.01888	1.3
55.05269	1.0
55.05517	11.4
57.03439	1.9
57.07072	2.8
65.03935	3.5
67.01863	2.2
67.05510	28.8
69.07073	6.1
69.89612	3.3
70.06580	1.0
71.04992	1.8
71.08620	1.1
72.08148	1.3
76.01889	0.9
79.05502	3.0
81.03429	1.8
81.07062	18.3
83.04982	4.3
83.08622	9.1
85.06533	1.8
88.07607	1.1
89.03920	8.1
91.05481	6.3
93.03397	4.2
93.07072	4.9
95.08613	28.7
96.04478	1.5
97.06523	1.6
97.10178	6.2
105.07001	1.9
106.06580	1.6
107.08583	1.3
109.10167	20.5
110.06061	1.1
111.08086	2.7
111.11682	1.0
115.05465	3.6
116.04985	17.2
116.06247	1.1
117.05769	3.7
117.07023	1.3
118.06536	3.4
119.08611	3.9
120.04459	0.9
121.10148	1.8
123.08038	1.0
123.11749	1.7
128.06252	6.0
128.80948	0.8
129.07007	2.4
130.06535	1.5
131.08470	0.8
133.10104	4.1
134.06021	2.0
135.11678	0.8
137.09648	1.3
138.05441	1.0
140.04979	0.9
141.05771	1.9
142.06523	1.3
143.07318	1.3
144.04459	1.8
144.08090	2.3
145.06549	1.2
145.10155	0.8
147.11690	2.2
149.13179	0.9
151.14883	1.5
153.07021	1.7
154.06526	3.8
154.07620	0.8
155.06071	1.4
155.07310	1.6
155.08562	1.5
156.08069	9.0
157.08844	3.5
170.06033	2.2
170.09727	1.1
173.11804	0.9
175.14828	10.0
183.06810	2.4
183.08195	1.1
184.07587	100.0
185.07906	4.6
193.15912	3.3
200.10698	6.4
210.09221	2.6
210.18495	1.1
210.87024	0.8
211.14589	0.8
211.16917	1.3
212.06534	2.2
228.10213	74.5
228.19685	1.6
228.23209	17.1
229.10483	2.3
229.14207	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39362	1.4
53.03930	2.1
55.05515	41.4
57.03436	1.6
57.07068	6.6
65.03937	2.4
67.05509	63.5
69.07072	22.5
69.33463	1.4
71.04997	3.1
71.32392	1.9
78.18867	1.8
78.68578	1.4
79.05504	9.2
81.07063	51.3
82.07391	1.8
83.08627	30.1
85.06530	5.0
91.05485	5.4
93.07046	10.8
95.08613	100.0
96.08942	1.9
96.18984	1.4
97.06530	4.8
97.10180	18.5
102.09193	1.6
105.07021	7.4
107.08614	5.7
109.10162	48.3
111.08094	5.5
111.11739	2.8
119.08596	10.8
121.10168	5.0
123.08079	4.3
123.09225	1.5
123.11722	6.2
125.09627	1.7
133.10141	13.9
135.11705	5.3
137.09642	4.1
141.09120	2.3
147.11696	5.7
149.13297	4.5
151.11246	2.8
151.14792	5.5
165.16452	2.1
175.14844	33.6
193.15891	15.3
210.18451	5.6
211.16977	5.0
211.18829	1.8
213.12717	1.5
228.14943	2.2
228.19627	6.1
228.23203	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	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.0
55.01877	7.7
55.05514	40.1
56.96556	3.6
57.03438	40.1
57.07069	4.6
60.79375	1.9
61.02924	5.4
65.03917	2.0
67.05502	14.0
68.81194	1.6
69.03433	100.0
69.07070	13.5
69.93044	5.5
71.01357	6.8
71.04996	30.0
73.02918	17.8
79.05495	8.2
81.03422	38.2
81.07067	8.6
81.07469	1.4
83.01341	3.1
83.04984	23.1
83.63141	1.6
85.02909	51.4
85.03430	2.5
85.06547	36.4
86.01951	1.8
87.04476	6.6
91.05484	13.4
93.07053	17.6
95.04978	7.7
95.08612	7.2
97.02900	29.0
97.06532	9.8
98.76185	1.7
98.97591	4.0
99.04445	17.7
105.07041	6.9
107.04993	1.9
107.08590	3.2
109.02895	9.7
109.06517	9.4
111.04449	11.4
111.08126	2.0
111.21647	1.5
115.03953	2.9
117.07054	4.8
119.08608	6.3
121.06503	8.5
123.04460	2.3
123.08104	4.5
125.06066	2.1
127.03053	3.1
127.03928	37.8
129.05508	18.0
135.08072	5.9
137.06023	1.6
139.07545	2.6
145.04973	6.6
147.08034	4.6
151.07516	4.5
156.03325	7.4
156.43900	1.5
157.03696	6.7
163.07544	2.3
168.03304	2.0
169.03691	1.9
174.04439	2.6
175.04662	4.9
185.03526	1.8
186.04370	4.6
187.04764	9.8
188.52115	1.7
193.08606	2.1
205.05785	6.4
211.09666	1.8
223.06944	1.8
229.10710	8.7
229.15520	2.2
247.06961	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03949	1.1
55.01860	0.6
55.05514	15.8
57.03444	1.5
57.07089	1.7
59.05002	0.9
67.05510	5.6
69.03432	1.6
69.07064	1.4
70.10471	2.3
79.05497	1.4
81.03431	1.1
81.07048	1.7
83.04984	100.0
84.05315	1.0
85.02905	1.4
91.05497	3.4
93.03403	0.8
93.07023	0.8
95.04974	1.7
95.08611	1.7
98.22540	0.7
105.07030	2.7
107.08585	1.3
109.02886	1.9
109.06578	0.8
109.09447	0.6
109.10147	3.7
109.61157	0.7
115.05444	1.1
117.07044	3.6
119.08597	3.1
121.06490	0.9
128.06212	3.3
129.07019	2.0
130.15944	2.1
131.08574	2.8
133.07726	0.7
133.10147	1.8
135.08061	1.0
141.07004	2.7
142.07785	1.3
143.08588	2.9
144.05679	0.8
145.06493	6.9
145.10149	2.3
147.08040	1.8
147.11705	0.7
148.08852	0.6
151.08667	1.4
153.07019	1.7
154.07729	1.3
155.04861	0.8
155.06064	0.7
155.08569	2.3
157.10097	1.2
158.07249	1.1
159.08060	4.7
159.11678	2.4
163.07538	2.2
167.08521	1.0
168.09358	2.3
169.10085	2.0
171.08096	3.4
171.11671	0.8
172.08827	1.8
173.05991	8.9
173.09607	1.7
173.11765	1.2
173.13228	0.9
174.10460	0.9
178.07828	2.0
181.06520	1.3
182.07164	0.6
183.08122	1.2
183.11703	3.0
185.09610	3.7
186.10390	5.8
187.07564	3.0
187.11191	12.7
191.07068	2.6
193.10033	2.7
195.08127	0.8
196.08823	4.2
199.07544	1.1
201.12733	2.9
211.11194	7.0
211.14917	0.9
214.09958	2.3
228.23251	1.1
228.26869	3.4
229.12234	80.0
229.15555	4.3
229.19507	3.5
229.23518	1.8
229.27266	1.7
230.12627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88423	0.2
55.01870	0.4
55.32281	0.2
56.62797	0.3
58.06604	5.9
59.07386	1.2
60.08170	7.5
68.05031	1.1
68.09354	0.2
70.06597	39.0
71.06941	0.4
72.08177	0.9
81.04564	0.3
84.04523	0.6
85.02922	0.6
86.09710	0.9
95.06141	0.4
96.08145	1.4
97.02911	0.4
98.06081	0.8
101.00899	0.8
114.05537	4.4
114.09173	1.8
116.07104	1.9
119.01933	2.1
124.07593	3.9
126.09167	0.9
142.08647	33.4
143.08954	0.8
150.87410	0.3
155.08192	0.3
164.97411	0.3
170.08177	1.5
183.07736	0.5
183.11285	0.6
187.00995	0.5
205.01973	0.3
215.00403	0.5
229.15486	100.0
230.15814	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	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19450	0.2
55.01868	0.3
55.05503	0.3
56.96568	0.5
57.03429	0.5
57.31631	0.2
58.06599	6.3
58.95150	0.2
59.07378	1.1
60.08163	7.2
62.89041	0.2
68.05026	1.3
69.03412	0.5
69.17529	1.5
69.17931	0.5
69.80789	0.2
70.06590	39.5
71.06929	0.4
72.08179	0.7
73.02911	0.3
81.04537	0.5
84.08134	0.3
85.02920	0.6
85.06538	0.3
86.50033	0.2
95.06092	0.6
96.08130	1.8
97.02905	0.6
98.06053	0.7
98.22589	0.4
98.97595	0.4
101.00868	1.5
114.05520	4.1
114.09151	2.3
116.07089	1.0
119.01918	3.2
124.07579	4.0
126.09171	0.6
127.86172	0.2
131.01895	0.8
133.03455	0.6
137.02983	0.6
141.09395	0.3
142.08632	34.6
143.08955	0.6
148.03836	1.0
168.99895	0.4
170.08112	1.3
183.11337	0.6
187.00848	0.9
187.04440	0.3
215.00342	0.3
229.03236	0.7
229.15462	100.0
230.15765	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	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01879	0.5
56.96566	8.1
58.06598	5.4
59.07380	1.3
60.08167	7.0
68.05026	1.0
70.06594	36.7
70.63833	0.5
71.06936	0.4
71.95280	0.8
72.08170	0.7
72.96051	0.8
83.97616	0.3
84.04504	0.3
84.08136	0.4
84.96016	0.3
85.11939	0.3
86.09713	1.0
95.27104	0.3
96.08143	2.0
97.99169	0.4
98.06057	0.7
98.22571	0.3
98.97588	17.6
114.05535	3.8
114.09156	2.1
116.00205	0.6
116.07102	1.0
116.98625	9.7
119.01917	0.8
124.07598	3.8
126.02303	0.4
126.09159	0.6
134.99678	3.0
140.03810	0.8
142.08636	32.2
143.09027	0.5
158.04892	0.7
160.06464	1.0
170.04897	0.6
170.08171	1.7
171.03302	0.7
176.05983	0.3
188.05954	0.8
189.04358	2.3
206.07053	2.0
207.05522	1.3
208.35846	0.3
224.08115	2.7
229.15474	100.0
230.06924	1.9
230.15785	2.2
231.05557	0.5
236.85382	0.3
248.08037	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
53.03952	4.7
55.01879	3.1
55.05241	3.7
55.05510	65.8
56.85744	2.2
56.98655	2.2
57.03426	10.3
57.07072	9.3
59.05000	10.9
67.05504	56.8
69.03426	22.5
69.03817	4.3
69.04171	25.8
69.07062	23.1
71.04991	11.9
79.05497	11.5
81.03400	4.7
81.07057	34.1
81.25488	2.2
83.04980	63.9
83.08622	35.1
85.02905	4.6
85.06539	33.0
87.04468	4.0
91.05487	10.4
93.07048	25.0
95.04976	8.3
95.08599	27.6
97.02900	2.9
97.10171	7.1
99.04473	2.5
99.08102	17.5
101.06029	6.7
102.43818	2.3
105.07027	18.2
107.08602	43.0
109.06515	3.2
109.10155	100.0
111.08085	9.4
117.07062	4.8
119.08585	18.4
121.10143	11.5
122.88393	2.3
123.11704	35.5
123.28836	2.6
125.09627	15.9
127.11163	21.9
128.06184	3.4
129.07022	5.9
130.07805	2.3
131.08575	22.1
133.10120	16.2
135.11688	34.2
137.09637	6.1
137.66920	2.3
141.06998	3.9
143.08595	5.2
145.10110	17.3
145.64748	2.8
147.07993	2.3
147.11726	7.0
149.13293	13.7
151.11160	11.3
151.14827	5.6
153.12744	11.5
155.08545	5.7
155.10576	2.6
156.09373	3.2
157.10153	6.1
159.08028	18.1
159.11725	19.5
159.21956	2.7
161.13242	2.8
167.14313	28.6
168.09372	3.4
169.10133	4.7
169.10869	2.9
169.12247	34.0
171.11760	3.7
171.13791	3.2
173.09624	8.9
173.11807	5.8
173.13289	10.0
175.14839	11.1
183.11720	7.3
185.13242	3.2
185.15335	6.2
187.11177	6.7
187.14835	5.6
193.15892	16.4
201.12637	3.1
201.16438	5.9
209.70692	2.7
211.11171	4.6
211.14830	7.4
211.16898	55.2
229.08565	5.7
229.12250	16.4
229.15945	59.5
229.17700	3.2
229.19635	26.4
229.23389	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.4
57.03436	1.5
62.28316	1.3
65.00533	1.3
67.05514	14.3
69.07059	1.6
69.50093	1.3
73.29916	1.1
79.05505	2.8
81.07050	5.1
82.55480	1.2
83.08613	3.7
91.05467	3.1
93.07043	5.5
95.08616	7.0
104.52428	1.3
105.07034	8.5
107.08614	8.6
109.10176	14.0
115.12743	1.4
117.07051	1.8
119.08595	11.1
121.10147	8.6
123.11795	2.0
129.06972	1.6
131.08607	6.6
133.10130	6.8
135.11710	3.8
145.10143	9.6
147.11708	3.9
159.11728	13.5
171.11691	9.5
173.11819	2.1
173.13245	13.8
185.13341	7.2
186.14061	41.7
187.14836	19.1
199.14850	26.6
214.17189	24.7
229.11993	1.9
229.15883	3.4
229.19536	100.0
230.19841	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	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98650	0.3
56.96564	30.4
57.03104	0.2
59.06924	0.2
65.28396	0.2
69.07063	0.4
70.06599	0.7
70.56350	0.6
70.98097	0.2
71.06930	0.6
71.95263	3.4
72.96039	1.6
74.97642	0.4
83.97634	1.4
84.96032	0.8
86.09707	3.3
97.99171	0.4
98.97581	100.0
99.97983	0.3
102.00956	0.6
110.97565	0.7
115.00739	0.3
116.00211	1.4
116.98618	52.3
117.98984	0.4
119.01922	0.5
120.02010	1.1
124.00705	0.5
126.02292	0.8
128.98592	0.7
129.02242	0.3
134.01248	1.6
134.99654	16.0
140.00206	1.0
140.03825	1.4
142.01770	0.3
142.05385	1.9
142.08644	0.3
143.09004	0.4
144.03339	0.6
145.01692	0.3
145.99901	0.2
146.99588	0.2
153.00697	1.3
153.02167	0.2
158.01280	0.3
158.04878	2.7
160.06462	3.3
170.04889	1.3
171.03247	1.6
176.05942	0.7
178.07495	0.8
188.01111	0.3
188.05965	2.2
189.00734	0.3
189.02615	0.4
189.04344	7.4
202.07481	0.5
206.06995	6.0
207.01878	0.3
207.05380	3.6
212.05936	1.1
224.08055	7.3
225.08440	0.3
230.04672	0.4
230.06982	8.4
230.15807	2.4
231.05345	1.8
248.08046	14.1
248.99338	0.4
249.06384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.9
55.01879	5.5
55.05516	3.1
57.03434	3.7
60.66103	0.9
61.02919	1.4
67.05496	3.0
68.99793	4.1
69.03431	100.0
69.07071	1.7
71.04994	6.8
71.30722	1.2
79.05505	2.8
80.62791	0.9
81.03418	60.1
81.07060	2.7
82.03766	0.9
83.01351	2.5
83.04993	1.5
85.02907	38.3
85.06541	2.7
87.00833	24.0
91.05473	4.0
93.07053	2.1
95.08618	2.7
97.02895	31.4
97.06535	1.2
99.04456	18.7
105.01886	5.3
105.07053	5.3
106.31659	0.9
106.43219	0.9
107.08613	2.8
109.02883	24.7
109.06507	1.4
109.10139	1.3
111.00826	1.2
115.05470	1.3
115.87112	0.9
117.07002	2.9
119.08603	2.9
121.06549	1.5
121.10194	1.1
127.03917	30.3
128.06238	2.4
129.01839	0.9
129.07021	3.0
131.08606	1.9
133.06506	1.1
133.10150	2.4
141.16191	1.0
142.07733	1.6
143.08585	4.1
145.04968	4.9
145.10097	7.8
147.04506	1.0
147.11690	2.1
151.20068	0.9
153.18364	1.1
157.10184	3.3
159.08041	1.1
159.11723	2.0
161.09686	1.1
170.11003	1.0
171.11723	2.8
173.09627	1.0
173.13319	1.9
175.14665	1.1
185.09631	1.1
185.13235	2.0
189.12798	1.2
213.03944	1.5
213.12802	2.4
213.16394	2.5
231.04807	5.7
231.10123	1.8
231.13840	5.7
231.17386	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01873	3.1
55.05530	2.1
57.03434	3.2
61.02934	1.2
67.05533	2.1
68.99792	2.7
69.03432	100.0
69.07068	1.9
69.81598	3.4
70.03765	1.5
71.04996	5.6
79.05499	3.4
81.03418	38.5
81.07070	4.8
83.01338	1.8
83.04989	1.7
83.08607	1.1
85.02905	38.0
87.00832	13.3
91.05479	5.3
93.07038	3.1
95.04982	1.2
95.08620	3.8
97.02891	20.5
99.04453	15.7
104.12488	1.0
105.01910	2.2
105.07038	5.2
107.08607	1.6
109.02883	12.2
109.06586	1.3
109.10186	2.2
111.04443	0.9
117.07021	1.7
119.08581	5.4
121.06510	2.0
121.10168	2.5
121.56780	0.9
127.03915	17.0
128.06270	1.5
129.07025	3.2
131.08586	3.1
133.06493	1.3
133.10162	3.5
135.08087	2.0
135.11702	1.6
142.06398	0.8
142.07828	1.2
143.08563	4.2
145.05005	2.8
145.06491	0.8
145.10152	3.9
147.08066	2.4
147.11708	2.7
149.13348	2.0
157.10190	5.1
159.11731	2.2
161.09671	1.3
161.13345	1.6
171.11710	3.8
173.13245	1.3
175.07626	1.6
175.11147	1.2
185.13269	3.9
187.07634	2.0
189.09125	1.2
189.12747	1.6
195.11737	1.0
198.10376	1.3
203.14369	1.2
213.03954	1.4
213.12787	3.8
213.16389	3.7
213.99138	0.9
231.04851	4.4
231.10216	3.2
231.13799	8.6
231.17393	7.4
231.21010	4.2
232.22729	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
52.65816	0.2
53.03948	0.5
55.05516	12.1
56.05030	0.4
57.05817	1.2
69.03420	0.3
69.21112	1.3
72.08160	100.0
73.08499	1.0
75.04488	0.3
78.16021	0.2
86.09705	5.3
91.05497	0.3
97.02839	0.3
98.22651	0.5
100.87550	0.2
105.05524	0.2
109.02894	0.3
129.07013	0.3
132.10202	3.8
156.04202	0.2
171.06557	0.6
183.23550	0.2
185.16527	0.7
199.06111	0.2
231.14714	0.3
231.17014	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.05515	9.2
55.57891	1.5
60.20433	1.6
67.05502	18.5
69.07070	12.6
79.05496	10.1
81.07059	34.8
83.08609	4.6
91.05495	12.6
92.73962	2.0
93.07041	28.8
95.08608	50.0
97.10148	3.2
98.23347	4.2
105.06380	2.0
105.07030	24.3
107.08600	34.2
109.10158	28.0
111.94859	1.7
119.08574	21.2
121.10149	32.3
123.11703	22.5
128.06294	1.7
131.08577	5.6
133.10155	13.7
135.11700	30.4
137.13261	5.8
137.91928	1.8
143.08569	3.7
145.10110	4.4
147.11696	26.4
149.13268	16.7
156.09320	2.8
157.10106	6.4
161.13263	26.6
163.14909	2.6
171.11671	4.9
173.13301	3.0
175.14819	21.3
185.13188	2.8
187.14850	3.6
189.16347	6.6
203.17941	2.9
213.16377	6.7
231.17688	12.3
231.21077	100.0
232.21394	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	232.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11059	2.2
50.39520	1.8
56.53349	2.3
56.96568	38.8
58.96172	3.0
60.05645	5.3
61.44344	2.0
66.37544	2.0
69.07056	2.7
70.06593	27.7
71.30099	2.7
72.08163	9.6
84.04510	3.7
84.08146	7.2
84.96043	3.6
85.02907	11.9
86.09705	68.6
87.10073	1.9
97.06505	4.3
98.97585	21.7
99.27209	2.1
100.97202	5.8
100.97991	3.4
100.99165	6.5
101.00876	13.2
102.00956	3.1
103.00620	2.6
110.97621	6.9
112.08730	3.2
116.00178	2.8
116.07108	5.5
116.98638	15.2
118.03486	3.9
118.98244	4.7
119.00171	5.8
119.01925	52.7
120.02048	8.7
121.01650	5.0
128.98615	7.2
129.10251	2.5
130.03548	2.5
131.01930	5.2
134.01265	2.9
134.99641	6.9
137.02986	14.7
143.01932	2.2
144.04926	2.2
144.98065	4.5
146.99684	5.6
158.09264	2.9
161.02937	13.1
162.99222	2.9
165.00636	5.8
168.08714	3.0
172.04590	3.3
172.97574	3.6
173.06587	2.1
173.09288	3.2
175.11977	4.1
183.01828	3.8
186.09766	34.8
187.09886	2.4
190.02557	4.0
190.98596	11.1
191.02274	3.7
191.03987	2.6
197.06551	2.2
204.10829	16.9
205.03990	2.8
208.99687	15.5
214.09238	40.7
215.07726	3.2
215.09618	3.0
215.11488	3.5
215.80727	2.4
227.00787	3.2
232.10310	100.0
232.14095	20.4
232.16568	4.8
233.06554	3.8
233.10542	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	232.1545
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
57.03442	1.6
58.06607	0.4
60.08167	7.8
65.70247	0.2
69.99400	0.9
71.04991	2.0
72.08163	0.3
84.08126	0.5
85.02907	100.0
86.03226	0.7
144.10194	1.8
173.08105	8.5
232.15440	18.9
233.15686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
87.35886	4.2
93.07057	8.7
98.97582	6.3
105.07058	7.9
117.07040	9.0
131.08583	4.8
145.06483	5.0
159.04268	6.4
176.04462	88.6
177.05449	9.0
178.06189	5.2
190.00587	4.5
202.06105	17.2
215.14211	4.9
233.07848	100.0
233.11694	8.9
233.15411	15.9
234.07750	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	233.1172
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.69985	1.0
61.74150	0.9
62.75195	0.9
66.83468	1.0
69.47926	2.1
69.48311	2.1
76.92157	1.0
79.05478	1.2
80.97168	0.9
81.07043	1.0
88.51903	1.0
91.05484	5.0
93.07018	1.1
98.97533	2.0
103.05438	1.4
105.07032	8.6
115.05447	4.4
116.98635	1.1
117.07015	5.6
119.08648	1.0
123.56484	1.1
128.06198	8.9
129.07016	4.7
130.07784	22.1
131.08517	1.4
141.06960	1.2
143.08566	34.6
145.06447	3.4
145.10124	54.9
146.10382	1.4
153.07036	2.2
155.08549	12.6
157.06506	2.7
158.07271	70.5
159.07793	3.1
171.04478	1.2
171.08026	3.9
172.08823	1.7
173.09622	100.0
174.09981	3.0
175.07539	2.4
177.05467	7.0
178.06207	6.3
178.96034	2.8
183.09216	7.2
186.06743	9.0
189.09055	3.5
191.07076	2.0
201.09105	88.0
202.09431	2.6
215.10527	1.2
218.09329	3.5
233.09680	1.3
233.11697	33.8
233.15346	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	233.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.6
69.53201	6.3
73.48428	1.3
79.05497	2.8
85.06525	1.5
91.05492	4.9
93.07029	2.7
95.08620	1.9
103.05476	1.9
105.07033	9.2
115.05479	5.8
117.07022	9.4
119.08569	1.6
125.06045	1.3
128.06247	5.8
129.06984	5.0
130.07785	21.1
142.07813	1.5
143.08562	36.9
144.05728	2.1
145.06473	6.1
145.10124	55.0
147.08054	2.1
153.07002	3.1
155.06076	1.8
155.08551	13.5
157.06493	3.9
158.07277	62.5
159.07832	2.6
161.05908	2.0
171.08067	4.7
172.05191	1.7
172.08858	1.7
173.09624	100.0
174.09929	2.1
175.07501	2.2
181.73389	1.6
183.09230	6.3
186.06767	7.3
189.09119	3.9
199.07825	1.5
201.09117	93.8
202.09535	2.7
205.06818	1.4
205.08623	5.9
218.09404	2.7
233.08003	8.4
233.11659	30.5
233.15427	3.7
240.99817	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02375	4.4
53.03717	3.6
53.03949	52.3
54.13055	2.3
55.01871	21.7
55.05506	11.9
57.03423	6.3
60.04530	12.0
65.03946	13.1
67.05179	3.7
67.05508	53.2
68.99778	5.1
69.03423	11.9
70.46063	3.7
70.46400	2.7
71.04996	86.2
73.02907	3.2
77.03899	2.6
79.05067	4.2
79.05496	56.0
81.03421	70.6
81.07054	16.4
83.04962	8.9
85.02886	10.1
85.06539	6.3
86.09711	24.1
87.04456	5.6
91.05485	100.0
91.83303	2.2
93.03400	7.5
93.07048	20.0
95.04967	24.1
95.08613	11.4
97.06525	2.4
103.05473	23.6
105.03385	7.5
105.04473	4.5
105.06367	4.6
105.07030	54.2
107.04948	23.9
107.08613	5.7
108.55040	2.5
109.02872	27.5
109.06525	7.4
111.04430	10.0
115.05460	51.0
116.06204	7.9
117.07027	48.1
119.04971	13.0
119.08572	11.8
121.06530	20.8
123.04406	2.9
123.08076	14.4
127.03960	5.3
127.05412	4.7
127.07535	8.3
128.05336	4.1
128.06221	44.7
129.07033	32.9
130.07831	6.4
131.04910	11.1
131.08574	28.6
133.06511	22.3
133.10106	4.2
135.08022	7.4
136.06166	14.4
137.09630	2.5
141.06956	26.2
142.07750	4.9
143.08574	18.2
144.05693	6.6
144.09285	3.6
145.06494	39.9
145.10107	11.2
146.07249	4.3
146.11754	15.6
147.04407	10.9
147.08025	8.6
147.68083	2.6
149.06044	5.6
149.09616	2.8
151.07550	3.0
153.06970	11.7
154.07803	20.5
155.06064	6.4
155.08510	6.2
157.06483	4.9
158.07227	4.8
159.08060	13.6
159.11719	3.6
161.05983	9.3
161.09599	5.3
163.56822	2.4
169.06476	2.7
169.10120	8.5
171.08066	21.0
173.06013	6.8
173.09679	11.2
173.12961	6.9
177.09099	2.9
182.96596	2.7
185.09680	3.1
187.07507	6.6
187.11159	9.9
187.14670	2.7
189.09105	7.4
190.01782	2.4
197.09634	5.5
203.10535	2.6
205.08562	3.7
205.12138	4.3
215.10663	32.6
215.14035	2.8
233.08112	5.5
233.11714	86.4
233.15347	6.7
234.13632	3.4
242.63487	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	233.1174
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.41602	1.5
53.03937	6.1
55.01871	9.2
55.05509	14.0
57.03423	4.3
57.07062	2.2
59.04987	2.9
65.03924	4.7
67.05505	21.2
69.03431	100.0
69.07050	8.0
71.04996	18.2
71.31538	2.2
75.79062	1.7
78.48891	1.7
79.05070	2.1
79.05495	28.8
81.02976	1.7
81.03407	8.6
81.06669	1.6
81.07059	14.5
83.04980	35.3
83.08612	3.0
85.02917	15.0
85.06533	3.8
91.05479	45.9
93.03387	4.2
93.07045	25.3
95.04972	12.1
95.08059	2.2
95.08606	36.2
97.06534	12.8
97.10168	1.9
99.04408	3.2
103.05433	11.1
105.07034	62.4
107.04957	10.1
107.08594	17.0
109.02855	3.0
109.06521	8.8
109.10141	6.2
111.04403	2.5
111.08075	4.7
115.05463	15.7
116.06203	3.6
117.07023	27.2
119.04903	8.1
119.08583	26.5
121.06493	18.1
121.10127	14.9
123.04429	2.7
123.08061	6.9
125.06027	2.2
127.03878	1.8
128.06219	13.9
129.07025	15.2
130.07741	6.3
131.04962	9.3
131.08575	31.6
132.05687	3.5
133.06487	18.7
133.10127	13.6
135.04405	4.9
135.08031	10.1
135.11676	3.3
137.05937	2.4
137.09587	2.3
139.07549	12.0
141.06973	12.5
142.07776	4.1
143.08585	13.0
144.05704	8.7
144.09322	4.0
145.06491	24.9
145.10121	47.1
146.10471	2.0
147.04395	13.9
147.08040	21.7
147.11699	14.1
149.05963	7.1
149.09607	7.7
154.07732	4.9
155.04893	2.3
155.06049	6.0
155.08510	9.6
156.09303	2.9
157.06427	4.2
157.10106	6.0
158.07300	8.4
158.10857	5.5
159.04317	2.3
159.08041	19.5
159.11665	19.6
160.03850	2.5
160.05093	2.4
161.05939	4.8
161.09612	20.6
161.13251	3.8
163.07501	3.6
163.11104	3.8
163.14804	2.3
167.08493	2.1
169.06470	3.0
169.10104	7.7
171.07999	6.2
171.11688	5.0
172.05170	6.4
172.08824	2.1
173.05940	6.3
173.09618	34.6
173.13264	25.8
174.06767	2.7
175.07513	4.0
175.11182	2.7
175.14771	2.0
177.09125	5.2
177.12660	2.1
185.09534	2.1
187.07483	4.8
187.11176	17.4
187.14801	26.7
189.09085	4.6
189.12738	2.1
190.06152	2.5
191.06911	2.4
191.10640	6.7
191.14246	3.5
197.09673	2.6
197.13257	2.8
200.04718	3.2
201.09058	7.1
203.14227	4.5
205.06572	3.6
205.08405	8.9
205.12236	2.6
205.15866	3.8
215.06975	4.2
215.10674	21.9
215.14291	10.6
215.17955	2.6
216.14485	2.0
233.05986	3.6
233.07973	19.6
233.11684	73.8
233.15282	49.8
233.18979	9.4
234.11786	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	233.1172
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
52.65738	1.7
53.03738	1.8
53.03949	16.6
55.01869	12.2
55.05499	4.3
56.35524	1.6
57.03434	3.1
57.07076	3.2
58.90583	1.7
65.03939	8.5
67.05502	31.1
69.03426	7.3
69.28059	2.0
69.34689	8.8
69.35098	3.8
70.56994	1.7
71.04992	100.0
74.06070	2.4
76.90250	1.7
77.03923	3.6
79.01816	1.8
79.05060	2.6
79.05492	32.1
81.03416	31.2
81.07048	9.9
83.04984	9.2
85.02886	5.6
85.06538	7.4
86.09648	2.3
86.61944	1.8
91.05483	63.2
93.03397	6.5
93.07042	12.1
95.04533	1.5
95.04971	15.7
95.08597	5.0
98.22546	2.2
103.05458	17.1
105.03391	6.2
105.04505	4.2
105.07019	29.0
107.04947	19.0
107.08543	1.9
109.02215	1.9
109.02864	10.9
109.06525	6.1
111.04416	4.0
111.20644	1.6
113.06015	2.7
115.05452	33.7
116.06231	5.2
117.07017	24.2
119.04939	8.1
119.08577	7.1
121.06490	13.6
123.08061	5.5
127.03963	1.8
127.05435	2.0
128.06216	27.4
129.07024	12.6
130.07793	2.1
131.04898	9.0
131.08562	11.5
132.02876	2.1
133.06494	14.8
133.10155	3.3
135.08060	3.6
141.06993	10.6
143.04897	3.1
143.08545	8.8
144.05711	5.9
145.06479	39.4
145.10118	6.8
147.04385	10.7
147.08023	6.5
149.05936	6.9
151.07539	2.7
152.06242	2.4
153.06985	7.0
154.07739	5.0
155.06018	6.4
155.08458	2.3
157.06488	2.8
159.08073	6.2
159.11646	2.7
161.05959	6.9
161.09627	3.4
161.73714	1.6
163.07509	2.1
169.10127	2.7
171.08066	15.0
173.05951	1.8
173.09633	4.9
173.13097	1.7
187.07538	3.2
187.11163	6.4
189.09094	6.8
190.98691	1.9
191.10480	1.7
205.08615	3.1
205.12215	5.9
207.36322	1.6
215.10701	22.0
224.49193	1.7
233.08099	2.8
233.11690	39.0
233.15388	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	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02375	2.4
53.03950	12.9
55.01876	20.3
55.05505	8.6
57.03428	5.6
65.03944	18.5
66.38244	1.6
67.05507	28.2
68.99771	2.5
69.03445	14.4
69.07067	2.9
70.06580	2.5
70.61192	4.3
71.04996	53.5
72.04526	2.9
73.02925	4.8
74.06065	1.9
77.03938	6.3
79.05492	27.5
81.03425	21.0
81.07059	11.0
83.04977	11.4
85.02912	4.7
85.06555	5.0
86.06549	1.8
86.09716	2.3
87.04494	2.7
90.05559	8.2
91.05482	100.0
93.03428	4.3
93.07034	10.3
95.04975	23.8
95.08630	5.2
97.06540	14.1
101.03903	5.0
103.05462	18.9
105.03370	9.9
105.04520	3.3
105.07035	33.1
107.04977	12.2
107.08604	3.2
109.02885	18.3
109.06508	14.4
111.04461	3.1
115.05459	69.6
115.06258	4.5
116.06236	5.8
117.07025	41.8
119.04946	15.8
119.08542	9.4
121.06525	15.8
123.04417	2.4
123.08087	3.8
127.05467	10.4
128.06229	75.9
129.03363	2.6
129.04489	3.6
129.07047	21.6
130.07811	4.5
131.04945	9.8
131.08572	14.4
133.06488	12.6
133.10167	3.6
135.08040	5.3
137.05992	4.0
137.09616	2.8
141.07008	15.2
142.07791	4.0
143.04933	6.2
143.08562	14.1
144.05667	5.8
144.09332	3.5
145.06479	38.4
145.10150	8.5
146.07170	3.2
147.04469	8.9
147.08054	12.6
148.05119	2.4
149.05986	6.9
151.07523	3.0
152.06215	7.9
153.07013	8.0
154.07767	6.8
155.06041	8.7
155.08586	4.0
157.06450	4.2
157.10173	3.3
158.07364	2.9
159.04428	2.8
159.08054	10.6
159.11708	4.7
161.05980	7.9
161.09650	9.1
163.07498	3.5
169.06496	3.1
169.10121	5.4
171.08083	17.4
172.08835	3.0
173.05974	5.1
173.09636	8.0
174.06860	4.0
175.07573	2.6
177.09070	3.2
179.08498	2.4
182.07414	2.1
187.07524	6.3
187.11182	8.3
187.14786	2.3
188.07021	13.2
189.09146	5.7
190.98799	2.6
191.10649	5.6
197.09653	2.5
198.11186	2.3
203.10701	3.9
205.08542	3.0
205.12198	4.3
215.07240	2.0
215.10666	19.6
215.14192	2.7
233.08096	7.4
233.11676	60.9
233.15436	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	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02406	1.9
53.03952	14.1
55.01870	12.3
55.05518	5.1
57.03422	2.3
57.42435	1.3
58.31130	1.4
65.03934	6.9
67.05504	23.7
69.03436	4.6
69.07069	5.0
69.48008	1.4
71.04996	100.0
71.20430	2.3
77.03941	3.6
79.05494	32.2
81.03419	24.0
81.07064	9.2
83.04986	4.2
85.06562	10.3
86.09704	2.9
91.05482	48.5
93.03419	5.0
93.07041	12.6
95.04967	13.9
95.08615	6.5
97.06536	2.5
103.05468	13.9
105.03393	5.6
105.04538	3.4
105.07040	26.2
107.04950	14.2
107.08601	5.8
109.02882	8.0
109.06550	2.9
109.10140	1.5
111.04485	3.0
115.05456	19.5
116.06264	4.4
117.07024	20.8
119.04942	7.3
119.08607	9.1
121.06507	12.5
123.08086	6.1
127.03860	1.8
128.06218	22.7
129.07054	12.0
130.07823	2.6
131.04913	10.6
131.08565	16.9
133.06493	14.8
133.10139	3.9
135.04456	4.9
135.08054	2.7
136.06177	3.9
137.09654	2.0
141.07018	10.0
142.07790	2.2
143.08575	5.9
144.05719	6.6
145.06496	23.8
145.10114	9.4
146.07288	2.3
147.04413	12.8
147.08031	5.0
147.11734	1.6
149.06018	8.4
151.07620	1.7
153.07018	4.8
154.07813	4.2
155.06079	3.8
155.08607	2.7
157.06462	3.9
157.10091	3.3
158.07306	4.5
159.08067	6.8
159.11740	3.0
160.05203	3.2
161.05945	10.2
161.09642	3.5
163.03911	2.2
163.07497	3.3
169.06487	2.2
169.10179	2.9
171.08054	12.6
172.05223	2.8
173.05969	3.6
173.09660	6.0
173.13307	4.2
174.06778	4.5
175.07669	2.1
177.05521	4.0
187.07596	4.9
187.11194	4.2
187.14786	2.4
189.09102	2.8
191.10674	2.5
201.09178	2.9
203.07019	2.9
203.10704	2.8
205.08720	2.6
205.12280	2.7
215.10689	19.8
215.14229	2.6
233.05963	2.3
233.07901	8.3
233.11661	30.5
233.15227	8.6
233.19125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02383	1.4
53.03947	14.0
55.01871	9.7
55.05513	5.2
56.05026	0.9
57.03433	2.3
57.07072	2.2
59.52241	1.0
65.03938	8.3
67.05504	29.4
68.05830	0.9
69.03432	5.7
69.07057	4.4
71.04993	100.0
71.31635	1.6
72.05325	1.4
76.02233	2.0
77.03912	1.5
79.05492	31.8
81.03417	34.8
81.07059	8.7
83.04958	5.4
84.30590	1.0
85.02896	3.1
85.06544	11.6
86.09699	1.5
91.05479	46.1
92.05776	1.2
93.03427	4.6
93.07042	16.2
95.04958	14.2
95.08586	7.8
97.06516	2.9
103.05477	16.0
105.03378	3.6
105.04516	2.9
105.07030	32.6
107.04954	16.1
107.05627	1.9
107.08591	6.0
109.02222	1.1
109.02886	12.5
109.05875	0.9
109.06502	5.6
109.10172	2.0
111.04430	2.8
113.05972	1.2
115.05455	18.2
116.06242	3.6
117.07014	19.9
118.04179	1.2
119.04937	7.7
119.08588	12.2
120.08083	1.0
121.06502	16.5
121.10138	3.6
123.08067	9.7
127.03928	1.5
128.06212	18.6
129.07034	11.7
130.07747	3.1
131.04930	11.0
131.08563	17.4
132.05670	1.4
133.05573	1.4
133.06491	16.8
133.10124	4.5
134.07213	1.4
135.04422	2.5
135.08047	5.1
135.11667	2.3
137.06000	2.1
137.09624	2.9
141.06973	10.1
142.07761	1.3
143.04897	1.3
143.08574	7.8
144.05717	5.3
145.06483	21.0
145.10114	16.5
146.07166	2.0
147.04393	10.2
147.08063	8.2
147.11694	2.1
149.05984	9.2
149.09610	2.2
151.03911	1.0
151.07513	3.1
152.06233	2.4
153.06989	4.4
154.07768	3.9
155.06076	2.4
155.08530	2.3
157.06508	2.0
157.10103	1.8
158.07236	4.0
158.10881	1.2
159.08061	7.5
159.11690	5.3
161.06004	9.5
161.09622	5.5
161.13239	1.1
163.07539	4.0
163.11093	1.4
165.09122	2.8
169.10138	3.8
171.08035	16.7
172.05165	1.2
172.08739	2.0
173.05971	3.9
173.09627	11.1
173.13258	6.1
174.06706	1.7
175.11209	1.6
177.09119	2.2
185.09621	1.8
187.05481	0.9
187.07495	3.0
187.11183	5.1
187.14815	5.3
189.09087	3.6
189.12762	1.4
191.10660	1.9
197.09634	2.2
197.13123	1.0
205.08618	2.2
205.12273	2.8
205.15839	2.1
215.07326	1.1
215.10686	25.4
215.14340	3.0
215.17955	1.1
233.08049	3.9
233.09814	1.5
233.11722	36.9
233.15305	19.6
233.19016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	7,8-Dihydrokavain
Peak:m/z	Relative Intensity
51.02371	2.9
51.53539	1.5
53.03944	11.7
55.01876	19.1
55.05497	4.4
57.03415	3.3
57.07068	2.7
65.03625	1.6
65.03938	19.9
65.91204	1.2
67.05176	1.7
67.05509	22.5
67.54794	1.2
68.99772	2.0
69.03426	11.3
69.07037	2.8
69.34344	4.3
69.34743	4.8
71.04611	2.4
71.04996	45.5
72.08144	2.5
74.06071	4.9
75.02361	8.2
77.03920	4.4
79.05062	2.2
79.05493	29.8
81.03419	16.4
81.07062	8.6
83.04980	7.3
84.08137	2.5
85.02872	6.4
85.06509	4.3
86.09220	2.7
86.09709	35.9
86.22630	1.4
87.04433	3.9
89.44949	1.3
90.94841	2.3
91.05486	100.0
92.05768	2.1
93.03367	2.5
93.07051	11.0
95.04973	21.7
95.08583	4.2
97.02847	3.2
97.06529	15.0
98.22575	1.9
99.04422	1.9
101.03883	6.8
103.05474	16.0
104.06215	2.9
105.03391	10.3
105.04507	2.5
105.07034	28.2
107.04967	11.4
107.08543	4.6
109.02886	11.2
109.06480	3.6
111.04431	3.2
115.05460	81.5
116.06324	7.3
117.07018	44.5
118.07346	1.5
119.04946	23.7
119.08595	9.6
120.06500	1.9
120.08054	2.0
121.06495	11.7
123.08031	4.0
127.05454	15.6
127.12461	1.6
128.06229	85.7
129.03357	3.9
129.04440	5.3
129.07021	19.1
129.10181	1.8
130.07791	3.9
131.04932	13.9
131.08571	16.1
131.97369	2.6
133.06491	12.9
133.10126	3.6
135.04321	2.6
135.08052	2.5
141.07027	13.7
142.07730	5.3
143.04944	8.2
143.08582	10.2
144.05710	7.8
145.06493	43.9
145.10039	5.0
146.07239	1.9
147.04390	8.4
147.08072	8.4
149.05872	5.2
149.09518	1.7
149.96086	2.1
151.03894	1.6
151.07544	1.8
152.06218	9.4
153.06935	6.2
154.07718	4.4
155.04941	2.8
155.06004	12.8
155.08487	2.7
157.06448	2.7
157.09982	2.3
158.07257	2.9
159.04361	2.4
159.08067	8.9
159.11676	1.9
161.06038	8.4
161.09618	4.0
163.07491	2.5
169.06447	3.2
169.10098	3.1
171.08069	13.8
172.05106	2.1
172.08804	1.6
173.05904	6.9
173.09546	6.1
173.13200	2.0
174.06723	4.6
175.03937	1.4
175.11183	1.8
177.09052	1.7
187.07469	8.8
187.11067	5.8
187.14787	2.2
188.07021	6.1
189.09052	3.3
190.98708	2.6
191.06946	2.9
203.10661	2.1
205.08527	3.4
205.12128	1.8
215.07028	4.0
215.10611	15.6
215.14061	3.4
233.07988	12.3
233.11653	49.6
233.15193	7.0
233.19122	1.7
234.11952	3.7
234.17935	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.50325	0.3
56.05038	18.3
56.96572	2.6
57.03248	0.3
57.03445	3.3
58.06605	3.9
67.05505	0.4
67.95955	0.4
69.03428	0.6
69.07056	0.4
69.23604	2.5
71.04983	0.4
72.08163	1.0
74.06083	100.0
75.06406	0.7
81.03397	0.3
84.04506	3.0
85.02917	1.2
86.09709	23.1
96.55579	0.3
97.02883	0.5
98.22607	0.8
98.97585	3.1
101.07137	2.0
110.97546	0.6
116.98644	1.1
126.12814	0.6
128.98610	0.6
130.97537	0.4
132.10208	17.8
142.12305	0.8
144.98131	0.8
146.99686	0.6
158.99702	0.7
169.13373	1.8
172.97588	0.4
175.77223	0.4
187.14427	9.7
190.98811	0.6
208.99779	1.2
214.21873	0.3
215.13959	3.8
232.71481	0.4
233.06602	0.7
233.14967	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	233.1534
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03929	4.2
55.05505	7.9
57.07064	6.0
67.05505	14.1
69.07070	10.5
71.32294	2.4
79.05070	2.7
79.05499	43.7
81.07059	48.9
83.08637	3.6
91.05481	16.8
93.07041	29.8
95.04970	8.4
95.08609	23.1
97.06538	16.2
99.08070	6.6
105.07026	38.8
107.04959	12.3
107.08602	14.7
109.06509	6.3
109.10165	18.3
111.08081	6.3
115.05430	2.6
116.21720	1.7
116.44357	2.0
117.06985	8.5
119.08585	37.1
121.06487	12.0
121.10133	17.9
123.08131	2.1
125.05992	69.8
129.07002	2.9
130.07780	6.1
131.05000	1.7
131.07689	2.4
131.08583	25.8
133.10124	42.0
135.08061	3.2
137.09546	1.8
139.07535	36.1
141.06967	2.0
143.08546	5.3
144.09349	2.7
145.06503	3.4
145.10123	55.6
147.08063	4.4
147.11688	19.3
149.05969	7.4
149.09625	4.1
155.08560	5.8
157.10091	9.4
158.07317	1.9
158.10829	3.0
159.08052	16.3
159.11678	15.5
160.08716	2.6
161.09634	2.4
161.13263	4.1
163.07507	8.3
167.08549	3.1
169.10104	4.7
171.11723	2.9
172.12483	9.1
173.09624	28.0
173.13310	12.1
175.11180	29.1
177.05470	2.1
177.09117	12.4
178.06160	2.1
182.10884	7.3
185.09506	2.1
186.10390	2.2
187.11200	2.3
187.14815	53.4
189.16415	5.8
191.10660	25.3
191.14325	2.2
197.13261	18.1
200.12006	2.5
205.15918	9.3
215.14316	100.0
216.14662	2.2
216.25298	1.9
233.11685	4.3
233.15364	98.3
233.18880	16.7
234.15738	3.0
236.63365	1.9
246.30527	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Oculatol
Peak:m/z	Relative Intensity
53.03951	5.2
55.01859	0.9
55.05520	3.7
56.53493	0.7
67.05499	4.7
67.95208	0.7
69.03410	0.8
69.06287	5.3
69.07068	2.0
76.04948	0.7
79.05492	14.6
80.14453	0.7
81.03423	1.0
81.07060	12.2
83.08617	1.1
91.05486	16.1
93.07048	14.7
95.04977	5.3
95.08605	9.9
97.06540	5.6
98.22586	1.4
99.08096	4.2
105.04502	1.7
105.06464	1.0
105.07040	10.1
107.04999	3.6
107.08611	3.2
109.06516	1.3
109.10161	7.7
111.08090	7.5
117.06993	2.8
119.08578	14.8
121.06507	100.0
121.10139	3.3
122.06850	2.1
123.08065	16.4
125.05991	20.9
130.07816	1.2
131.08582	5.3
133.10127	19.9
135.08020	4.3
135.29276	0.8
139.07544	18.2
143.08551	3.4
144.09256	1.1
145.06464	1.2
145.10124	10.3
147.08063	1.1
147.11661	2.5
149.05954	1.4
149.09666	1.0
155.65326	0.7
157.10146	3.5
159.08057	2.9
159.11711	4.4
161.09621	2.4
161.13246	6.1
163.07547	4.5
171.11690	1.8
172.12457	2.6
173.09610	2.5
173.13277	4.2
175.11218	3.6
177.09172	1.6
178.06212	1.4
182.10912	1.8
187.11139	1.2
187.14809	10.0
189.12755	7.7
189.16396	1.4
191.10619	1.0
197.13281	3.0
205.15822	2.5
215.14317	18.6
215.17844	0.8
233.11687	1.9
233.15361	46.5
233.19038	3.4
234.15671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.02364	0.7
53.03947	2.7
55.01873	0.6
55.05517	3.6
57.07085	0.6
67.05500	1.5
69.03432	4.6
69.07067	1.1
69.54068	2.3
71.04977	0.6
72.70173	0.5
77.03914	1.1
79.05495	58.6
80.05804	0.6
81.03419	1.0
81.07051	2.7
83.04990	1.7
83.08620	6.5
85.06546	0.6
91.05470	3.1
92.72413	0.5
93.07048	4.1
95.04977	3.7
95.08609	1.7
95.76458	0.4
96.19584	0.5
97.06508	0.6
103.05465	0.5
103.64880	0.5
105.04501	2.1
105.07039	6.3
107.04956	64.1
107.08595	9.3
108.05334	0.5
109.10154	0.8
111.04429	0.8
111.08090	5.9
117.07000	0.8
119.08587	6.7
121.06489	3.3
121.10140	6.2
123.08070	1.4
123.11676	0.9
125.09660	3.0
129.07043	0.5
131.08572	5.7
133.06541	0.6
133.10138	6.0
135.08055	1.4
135.11661	0.8
140.27261	0.4
142.07768	0.9
143.08560	0.8
145.10149	3.1
147.11696	9.3
147.12770	0.9
149.09630	9.2
149.13237	2.9
151.03920	1.2
157.10086	3.1
158.10919	1.2
159.08067	0.7
159.11618	0.6
160.08803	1.7
163.11172	0.7
163.14854	0.7
171.11595	0.5
173.13274	7.1
175.11188	9.5
182.10973	1.0
187.14832	1.1
191.14308	73.3
192.14616	1.8
197.13326	1.3
215.14282	1.8
233.15364	100.0
234.15677	3.2
247.78474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.56874	0.6
53.03944	3.6
55.01894	0.7
55.05506	2.6
57.07068	0.9
66.86419	0.8
67.05510	5.0
69.07068	2.8
69.72480	2.8
79.05495	14.7
79.05953	0.8
79.31168	0.6
81.03403	0.9
81.07062	14.9
82.32014	0.6
83.08628	0.9
91.05479	17.1
93.07048	12.6
95.04962	5.4
95.08612	9.3
96.13335	0.6
97.06541	5.0
99.08121	3.4
105.04527	2.5
105.07032	12.1
107.04951	2.8
107.08591	6.8
109.06482	0.8
109.10171	8.1
111.08079	10.4
115.05498	1.1
117.07023	2.8
119.08589	16.3
121.06507	100.0
121.10120	5.1
122.06854	1.8
123.07172	1.2
123.08067	17.3
124.45254	0.8
125.05992	21.5
129.06975	1.2
130.07793	0.9
131.08565	5.8
133.10135	21.2
135.08087	4.7
135.11693	0.7
139.07544	18.7
143.08548	3.3
144.09334	1.0
145.06512	1.2
145.10130	12.9
147.08035	0.9
147.11693	3.4
149.05977	0.9
149.09637	0.9
157.10120	2.9
159.08072	2.2
159.11714	4.5
161.09676	1.9
161.13251	4.9
163.07555	3.3
171.11699	1.4
172.12483	2.4
173.09642	2.9
173.13252	5.0
175.11221	2.4
177.05489	1.3
177.09047	1.2
177.16376	0.8
178.06203	0.8
182.10861	1.4
187.14815	11.5
189.12741	7.4
189.16339	0.7
191.10669	1.3
191.14322	1.2
197.13359	3.4
205.15855	1.8
215.14313	17.7
215.17796	1.1
233.15361	45.4
233.18790	4.6
234.15674	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.19
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03938	3.0
55.01864	2.1
55.05517	13.1
57.03433	2.7
57.07075	6.6
65.03937	1.8
67.05505	37.7
69.07063	10.3
69.70580	2.2
69.70981	1.8
71.04992	7.2
71.08618	1.7
77.03922	0.8
79.05493	61.1
80.05847	0.9
81.07059	40.8
83.04988	1.5
83.08619	6.4
85.06544	7.7
91.05479	33.7
93.07043	79.8
94.07392	1.1
95.04967	6.3
95.08602	29.8
97.06512	7.0
97.10162	3.2
98.22582	0.8
99.08070	4.7
103.05430	0.8
105.04485	1.2
105.07030	25.7
107.04939	1.5
107.08594	47.5
108.08941	1.4
109.06531	3.8
109.10162	12.6
111.08080	6.7
112.78674	0.7
113.09585	1.3
116.06297	0.8
117.07018	11.0
119.08578	21.8
121.06536	1.1
121.10144	46.5
122.10499	0.9
123.08062	3.4
123.11703	9.0
125.09634	3.1
129.06995	1.7
131.08565	30.0
133.06439	0.8
133.10124	25.7
134.10449	0.9
135.08049	2.8
135.11691	47.8
136.12064	1.7
137.09628	5.1
137.13225	2.1
139.11151	2.3
143.08534	1.8
144.09332	1.4
145.10130	23.2
147.11687	16.0
147.12671	0.5
149.09627	7.1
149.13255	22.1
151.11145	4.8
157.10019	1.4
159.11697	21.4
161.13240	4.4
163.11182	3.1
163.14761	0.8
165.12749	1.5
171.11679	1.4
173.13269	17.3
175.14848	3.4
177.05450	1.0
177.12720	1.9
178.06165	0.9
187.14822	8.2
189.16409	4.8
191.14365	1.7
205.19527	3.2
215.14499	2.0
215.17950	66.8
216.18315	1.5
233.15659	5.7
233.18997	100.0
234.19379	4.0
246.33385	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84379	0.7
52.51822	0.7
53.03955	3.8
55.01869	2.0
55.05511	12.9
57.03424	1.5
57.07082	6.8
64.03947	0.7
65.03952	1.6
67.05507	39.4
69.03441	1.9
69.07069	10.4
69.09692	6.9
71.04996	7.1
71.08621	1.2
77.03955	0.9
79.05494	63.2
81.07059	44.1
82.07388	0.9
83.04998	1.6
83.08626	9.0
85.06548	7.7
91.05484	39.4
93.07048	75.8
94.07366	1.1
95.04971	6.7
95.08607	29.0
96.08899	0.8
97.06532	7.9
97.10162	2.8
98.22543	1.5
99.08122	4.2
105.04533	1.2
105.07036	25.4
107.04961	3.7
107.08600	44.9
109.06532	4.7
109.07164	0.9
109.10160	12.8
111.08087	6.3
112.35820	0.9
113.09631	1.8
115.05484	0.9
116.98642	0.9
117.07014	11.8
119.06020	1.7
119.08587	21.5
121.06496	2.5
121.10146	42.3
123.08071	4.4
123.11706	7.6
125.09624	2.9
129.06989	2.4
130.07755	1.8
131.08566	29.9
133.10138	26.2
133.11166	1.0
135.08066	4.7
135.11702	49.8
137.09627	5.3
137.13210	1.4
139.11200	1.6
145.10120	22.1
145.11252	1.5
147.08064	1.6
147.11684	20.0
149.09650	5.9
149.13263	22.4
151.11205	3.7
152.52361	0.9
157.10194	2.2
159.08095	1.7
159.11694	19.9
161.13219	6.2
163.03922	1.0
163.11188	3.0
163.14810	2.1
173.13266	19.1
175.11127	1.1
175.14813	3.4
177.05464	3.4
177.09158	1.0
177.12755	1.0
178.06227	3.1
187.14827	7.9
189.12715	1.3
189.16386	5.3
191.14256	3.1
196.07037	1.0
205.15865	1.0
205.19527	3.5
215.14418	3.0
215.17958	63.8
216.18356	1.4
233.09299	2.3
233.11662	3.2
233.15536	14.7
233.19005	100.0
234.12689	0.9
234.15691	0.8
234.19221	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	233.1901
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03934	4.6
55.01861	1.7
55.05513	14.8
57.03430	3.6
57.07077	7.5
63.28762	1.2
65.03928	2.3
67.05508	47.0
67.56178	1.4
69.03430	2.7
69.07073	12.6
71.04990	6.7
71.29612	1.4
77.03951	1.5
79.05495	76.5
81.03415	3.0
81.07061	46.0
83.04971	2.5
83.08616	8.8
85.06551	9.6
91.05481	36.2
93.07049	82.8
95.04977	11.1
95.08603	31.3
97.06531	9.8
97.10161	2.0
99.08076	4.6
104.86752	1.4
105.04529	1.9
105.06377	2.1
105.07033	30.1
107.04961	8.5
107.08598	47.0
108.08878	1.5
109.06527	6.1
109.10153	13.6
111.08047	8.9
113.09653	1.3
117.07030	14.7
119.08590	23.5
121.06494	5.2
121.09299	2.6
121.10146	45.3
123.08040	3.8
123.10929	1.4
123.11678	8.1
125.09587	1.8
129.06975	3.4
130.07861	1.8
131.08575	30.2
133.06503	2.3
133.09225	1.8
133.10146	28.3
135.08063	5.5
135.11696	48.4
137.09618	5.0
137.13210	1.5
139.11134	1.7
145.10130	28.5
147.08032	1.4
147.11708	22.5
149.09628	11.6
149.13251	23.9
151.11137	4.0
157.10110	3.0
159.08093	2.2
159.11693	27.3
161.13246	5.6
163.11151	3.1
163.14861	2.0
171.11732	2.2
173.09642	4.7
173.13269	19.6
175.11127	3.3
175.14821	3.5
177.05478	1.7
187.11223	2.6
187.14905	8.9
189.12746	2.0
189.16414	4.9
191.14326	8.7
203.08533	4.2
205.19540	2.5
215.14355	4.8
215.17949	60.9
216.18274	1.9
218.10855	3.7
233.09593	2.0
233.11316	1.8
233.13225	7.5
233.15405	39.3
233.18999	100.0
234.15814	1.8
234.19403	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	233.2262
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
51.02388	0.5
52.39109	0.5
53.03952	1.9
55.05514	14.0
57.07086	3.3
57.57730	0.5
62.28925	0.5
65.03946	2.7
67.05508	96.6
68.05840	0.8
69.03408	0.7
69.07072	14.6
71.04995	1.4
71.08655	0.9
71.29665	0.7
79.05496	28.9
81.03417	0.7
81.07060	100.0
81.92230	0.5
82.07394	1.4
83.08621	10.0
85.06546	0.8
91.05487	10.4
93.07050	31.6
95.04972	2.4
95.08610	86.8
96.08944	0.9
97.06541	1.2
97.10181	4.8
105.07027	4.8
107.04963	1.6
107.08600	18.8
109.06536	0.8
109.10162	41.4
111.11718	1.4
117.07008	1.6
119.08603	4.8
120.95849	0.6
121.06510	1.9
121.10150	29.3
122.10430	0.6
123.08047	0.9
123.11717	19.0
126.80254	0.5
129.06995	0.7
131.08586	4.7
133.10132	4.5
135.08052	1.4
135.11702	27.9
137.09618	0.8
137.13261	11.3
145.10152	3.9
147.11691	3.3
149.09615	1.7
149.13254	13.4
151.14854	4.8
157.10132	0.9
159.08116	0.9
159.11671	2.3
161.13257	0.8
163.11168	1.1
163.14857	5.3
173.09613	0.7
173.13300	3.7
175.11119	0.9
177.05435	1.3
177.09094	0.6
177.16356	2.7
178.06274	1.3
187.14748	1.7
191.14252	1.4
191.17969	1.8
198.72050	0.5
205.02666	0.6
215.14310	1.6
215.17949	7.5
233.09348	1.3
233.11595	1.4
233.15555	8.2
233.18965	50.4
233.22595	90.1
234.19142	2.3
234.23093	2.6
253.68045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	Dehydrooreadone
Peak:m/z	Relative Intensity
52.27151	2.9
52.46268	2.8
53.03945	20.5
55.01871	39.3
55.05513	19.7
57.03429	6.8
57.07074	10.1
61.28299	2.7
65.03941	5.3
67.05501	27.3
69.03426	12.0
69.07072	61.4
69.15608	22.3
70.11356	2.7
71.04996	63.6
74.80825	3.2
77.03920	8.6
79.05058	5.9
79.05489	69.8
81.03415	34.9
81.07054	29.3
83.01332	4.2
83.04964	12.4
85.02907	9.5
85.06533	10.2
91.05485	100.0
93.03410	5.6
93.07045	36.4
95.04974	39.7
95.08609	19.3
97.02888	5.5
97.06534	11.3
99.04451	4.0
102.99215	3.0
103.05467	26.0
105.03387	12.0
105.04469	5.0
105.06372	5.5
105.07034	63.8
107.04948	26.6
107.08581	23.6
109.02875	14.0
109.06528	10.7
109.10138	6.9
111.04459	13.0
111.08102	5.5
115.05449	24.1
116.06275	6.6
117.07031	25.1
119.04932	17.7
119.08582	32.1
120.08098	13.7
121.06511	81.2
121.10126	12.8
123.04376	3.8
123.08080	7.7
125.09600	3.7
128.06232	19.7
129.07016	35.2
130.06520	9.5
130.07796	3.3
131.04962	23.7
131.08566	19.1
133.06491	34.5
133.10153	17.2
135.08058	11.4
135.11719	4.4
136.06168	6.1
137.05898	6.6
137.09645	5.4
138.10207	3.0
141.06999	8.4
142.07758	7.4
143.08569	12.4
145.06476	18.6
145.10130	8.1
147.04420	24.6
147.08051	22.7
147.11707	12.4
149.05994	22.1
149.09653	7.3
151.07619	7.2
153.06972	3.2
156.09402	5.5
157.06465	15.7
157.10135	9.4
159.08035	8.3
159.11681	5.5
161.05972	29.3
161.09634	11.3
161.13257	5.7
162.06784	4.1
163.07539	7.0
171.08095	6.2
171.11731	10.9
173.05914	5.8
173.09677	7.9
173.13182	4.6
175.07521	25.4
175.11209	11.1
175.14781	4.4
178.07845	5.5
179.10591	7.6
185.05945	3.3
187.07529	7.9
189.05530	5.7
189.09122	7.1
189.12753	14.4
189.16452	7.0
190.06178	6.5
199.11256	4.3
199.14825	4.9
205.08560	4.1
207.08220	4.2
216.74017	3.5
217.08766	5.8
217.12267	47.8
217.15868	11.8
235.07475	13.8
235.09436	25.9
235.13301	63.4
235.16859	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23474	1.1
53.03947	5.5
55.01875	31.6
55.05510	12.7
55.24301	1.3
57.03428	3.8
57.07065	5.5
59.04997	5.5
62.84456	1.4
65.03944	8.0
67.05508	21.3
69.03427	9.0
69.06722	2.3
69.07071	30.0
69.13039	8.8
71.04996	8.8
73.06551	3.6
79.05497	27.6
81.03426	8.3
81.07052	26.3
83.04987	7.5
83.08614	2.2
83.66269	1.3
85.02917	2.3
85.06544	3.5
91.05482	93.9
92.05795	1.6
93.07045	26.7
95.01328	1.8
95.04989	11.1
95.08598	15.9
97.06531	10.6
97.10179	1.7
99.08090	2.0
103.05445	3.2
104.07117	1.7
105.03362	1.5
105.04515	1.5
105.07030	45.3
107.04952	11.5
107.08604	19.0
109.02842	1.8
109.06549	6.1
109.10172	7.2
111.08081	56.7
115.05452	7.2
115.07593	1.7
117.07028	17.4
119.04942	33.5
119.08585	30.7
119.09433	1.4
121.06507	16.5
121.10139	13.5
123.04433	2.9
123.08065	5.0
123.09065	1.2
123.11692	1.8
125.05994	2.0
125.09600	2.2
128.06221	8.2
129.06996	20.5
130.07765	3.6
131.04921	2.5
131.08574	13.5
132.05682	2.8
133.06505	6.8
133.10133	27.1
135.08051	10.0
135.11703	4.4
137.05965	5.7
137.09641	4.7
137.13292	1.3
141.07010	3.2
142.07793	2.6
143.08556	15.4
143.31308	1.3
145.06506	7.1
145.10127	25.5
146.07283	1.6
147.04408	100.0
147.08040	13.2
147.11696	15.3
148.04761	2.5
149.05969	2.5
149.09616	5.5
149.13252	3.6
151.07516	2.7
151.11165	2.1
152.04645	1.9
153.06987	1.7
155.06007	1.3
155.08556	3.1
156.09291	3.1
157.06519	3.7
157.10095	8.7
159.08044	1.9
159.11679	8.9
160.05261	2.1
161.05936	3.6
161.09618	8.2
161.13284	9.2
163.07567	1.8
163.11209	7.7
165.05475	5.3
165.06876	2.3
167.07045	6.1
171.08011	1.7
171.11679	20.0
173.05943	2.0
173.09569	8.3
173.13316	2.6
175.07562	7.0
175.11188	9.8
175.14853	9.0
177.12799	2.4
179.10719	4.2
181.10205	2.1
183.06506	13.1
189.09090	3.2
189.12773	10.2
189.16382	14.5
191.10640	7.4
199.11221	8.7
199.14859	5.0
201.07684	2.9
203.07095	2.0
207.09975	2.3
207.13905	2.4
217.08836	2.0
217.12253	34.2
217.15836	19.1
217.19414	2.3
235.09576	3.7
235.13295	28.3
235.16908	37.6
235.20624	3.5
245.48192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
53.03956	2.5
55.01883	2.1
55.05518	0.7
57.07079	3.4
65.03948	0.7
67.05517	3.8
69.03436	2.2
69.07075	1.5
70.25361	0.7
70.25709	1.2
71.04996	100.0
72.05297	0.6
76.89388	0.5
77.03926	0.7
79.05495	6.7
81.03417	6.2
81.07054	1.2
82.93790	0.5
83.05006	1.7
85.02915	1.3
85.06527	1.1
89.06021	2.8
91.05489	24.0
93.07056	2.9
95.04987	2.9
95.08608	1.2
97.06517	1.3
101.68326	0.5
103.05456	3.5
103.51142	0.5
105.03371	0.8
105.04520	0.9
105.07032	9.9
107.04940	3.9
107.08556	0.7
110.07208	0.6
111.04408	1.2
112.59700	0.5
115.05459	2.2
117.07004	5.2
119.04928	0.5
119.08585	8.4
120.08085	0.8
121.06509	2.3
124.00468	0.5
128.06238	3.3
129.07010	8.0
129.49574	0.6
130.06525	0.6
131.04970	1.5
131.08549	1.2
132.05733	4.2
133.06506	2.2
133.10179	0.7
135.08075	1.7
136.07629	0.6
143.08649	1.0
145.06474	2.6
147.08054	87.0
148.08446	1.7
149.06004	0.6
151.07547	0.6
161.06036	0.6
175.07501	1.1
175.11223	0.9
177.09180	0.8
179.10690	1.6
189.09119	0.7
189.12756	0.6
217.12263	4.6
220.56229	0.5
229.74789	0.6
235.11168	1.0
235.13318	11.1
235.16853	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	235.1329
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
53.03940	3.6
54.33513	0.7
55.01873	2.2
55.05512	0.9
57.07082	1.7
65.03940	0.7
67.05513	3.1
69.03442	2.4
69.07072	1.7
71.04995	100.0
71.11512	1.0
72.05344	0.9
79.05496	7.2
81.03422	5.1
81.07073	1.5
83.04972	1.6
85.02898	1.5
85.06546	1.7
85.98437	0.7
89.06026	3.9
91.05479	22.0
93.07053	3.0
95.04971	3.8
95.08624	1.2
97.02905	4.2
97.06538	1.2
103.05479	3.1
105.03426	0.9
105.07035	9.2
107.04954	4.0
109.06511	1.6
111.04439	1.0
115.05467	2.5
117.07014	6.3
119.08585	9.4
121.06506	3.5
123.08014	1.0
128.06219	4.5
129.07004	7.7
130.07761	1.0
131.04913	1.0
131.08595	1.3
132.05739	3.5
133.06479	1.4
135.08058	1.8
142.07837	0.7
145.06523	2.5
145.10155	1.3
147.08051	91.0
148.08382	2.6
155.06053	1.1
161.05923	0.8
161.09764	0.8
171.08081	0.9
175.07574	0.9
177.09032	0.7
177.51868	0.6
179.10661	0.9
189.12738	0.9
216.63000	0.7
217.12216	4.7
228.52916	0.7
235.09712	0.7
235.13289	14.8
235.16988	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.84229	1.7
53.03947	16.4
55.01875	21.1
55.05514	17.0
57.03434	5.2
57.07067	6.6
59.04993	1.7
65.03951	8.2
67.05506	22.5
68.99767	2.7
69.03426	9.7
69.07066	22.3
71.04994	19.2
71.31311	2.0
71.31688	1.9
73.06531	1.9
73.49697	1.6
75.89117	1.7
77.03935	4.1
79.05495	52.7
81.03420	60.1
81.07053	21.0
83.04987	7.8
85.02917	3.6
85.06542	7.0
86.37988	1.7
91.05479	100.0
93.03410	6.2
93.07043	26.1
95.01307	2.1
95.04958	28.8
95.08610	13.9
97.02891	1.7
97.06536	7.7
103.05471	27.8
105.03393	7.7
105.07027	57.1
107.04958	22.9
107.08595	18.4
109.02876	5.3
109.06512	6.9
109.10162	4.6
111.04472	3.2
111.08088	9.8
115.05451	28.0
116.06252	3.5
117.07014	30.3
118.04156	2.1
119.04937	18.6
119.08566	22.0
120.04057	1.6
120.08145	2.7
121.06530	12.2
121.10185	4.3
123.08080	6.2
125.02380	2.9
125.09603	3.3
128.06219	19.1
129.07008	30.6
131.04944	23.7
131.08549	14.3
132.05759	2.8
133.06494	38.9
133.10126	14.4
135.04459	2.8
135.08037	19.2
135.11719	2.5
136.06181	4.2
137.05881	1.8
137.09618	4.0
141.06985	4.3
142.07779	4.8
143.08594	13.3
144.05664	3.1
145.06517	16.4
145.10086	16.4
146.03641	7.3
147.04414	40.3
147.08058	17.2
147.11691	6.9
149.05997	3.9
149.09604	11.2
151.07564	2.3
154.07742	2.1
155.08546	3.0
156.05638	1.9
156.09401	3.2
156.67072	1.6
157.06516	15.9
157.10132	8.3
158.07216	2.1
159.08034	5.4
159.11728	2.6
160.05212	2.0
161.02234	1.8
161.05977	43.8
161.09639	6.1
161.13330	3.5
162.06725	3.0
163.07549	3.0
163.11159	4.1
166.07661	1.9
167.10750	3.0
171.08054	7.8
171.11646	12.4
173.06004	6.7
173.09615	7.3
173.13243	2.1
175.07530	18.7
175.08707	1.7
175.11218	6.6
175.14859	3.9
177.12752	3.0
179.08464	2.3
179.10709	5.4
185.05986	2.3
187.07512	9.7
188.08086	1.9
189.05495	3.9
189.09175	5.9
189.12796	7.9
189.16389	4.3
190.06206	3.2
191.10681	6.3
199.07529	3.2
199.11130	5.0
199.14809	4.2
199.24014	1.7
205.08713	2.2
205.12209	2.2
207.08182	3.0
207.13808	3.4
217.08705	3.5
217.12227	50.5
217.15613	8.7
235.07491	9.2
235.09549	25.7
235.13264	47.4
235.16821	25.8
236.13422	2.1
259.84045	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Lobetyol
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.8
55.05515	2.9
57.03468	0.5
57.07077	0.8
59.04998	0.5
65.03940	4.0
67.05502	3.6
68.68008	0.4
69.03432	1.3
69.07074	21.6
70.57803	0.9
71.04996	2.0
73.06565	3.6
79.05493	6.8
81.03440	2.2
81.07072	3.3
83.04992	2.1
85.06535	0.5
85.28627	0.4
91.05486	55.3
92.05803	0.7
93.07044	4.4
95.04977	3.3
95.08603	1.4
97.06532	5.5
100.65965	0.4
103.05479	1.0
105.03394	1.3
105.04529	0.5
105.07030	5.6
105.69933	0.4
107.04961	1.1
107.08585	2.6
109.06502	0.9
109.10159	1.1
111.08076	0.8
113.06012	0.5
115.05467	1.8
115.07578	1.9
116.06230	0.6
117.07023	1.8
119.04951	28.8
119.08579	4.2
119.53605	0.4
120.08145	0.7
121.05651	0.5
121.06510	8.7
121.10175	2.2
123.04438	0.7
123.08076	0.9
123.11758	0.4
128.06255	1.1
129.07019	1.5
131.04977	0.6
131.08557	1.5
133.06497	1.9
133.10161	2.7
135.04431	0.6
135.08043	1.4
135.11655	0.4
141.78905	0.4
142.07813	0.4
143.08609	1.1
145.06493	1.9
145.10135	1.2
147.04416	100.0
147.07999	2.4
147.11714	2.0
148.04762	1.9
149.09587	1.4
156.09300	0.5
157.06435	0.7
157.10133	1.0
159.11742	0.7
161.02354	0.8
161.06000	0.8
161.09599	1.0
161.13269	1.2
162.06657	0.5
163.07518	0.7
171.11743	0.7
173.06013	0.7
173.09596	1.6
175.07538	2.4
175.11134	1.0
175.14836	1.3
177.12822	0.7
179.10684	0.7
183.06584	0.4
189.09012	0.5
189.12749	1.5
189.16342	0.8
190.06311	1.0
199.11165	0.5
217.05119	0.5
217.12253	19.0
217.15732	4.7
218.12523	0.5
229.95070	0.4
235.09537	0.9
235.13344	4.3
235.16928	7.2
236.17143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03941	5.9
55.01628	2.7
55.01877	36.3
55.05513	15.5
57.03443	3.9
57.07066	7.4
59.05009	15.6
65.03938	6.3
67.05507	27.1
67.37621	1.8
69.03425	11.2
69.07070	21.0
71.05003	14.9
78.04691	1.6
79.05498	47.3
81.03410	9.2
81.07062	58.6
83.04974	12.7
85.02897	3.2
85.06532	5.2
91.05485	100.0
93.07050	66.6
95.04975	28.0
95.08616	23.2
96.08903	2.2
97.06530	23.0
99.04469	5.8
99.08134	3.2
103.05481	7.8
105.04510	3.1
105.07036	77.9
107.04953	15.4
107.08604	29.2
109.02845	2.4
109.06520	30.8
109.10162	11.1
111.08085	57.6
112.08377	1.8
115.05461	18.3
116.06223	2.7
117.07026	26.5
119.04947	18.1
119.08592	52.7
119.09452	3.1
120.08137	2.3
121.06512	98.2
121.10153	18.6
123.04421	4.0
123.08059	13.1
123.11720	2.9
125.06007	4.3
125.09650	3.2
126.99512	2.7
127.07559	9.9
128.06227	13.0
129.07011	32.8
130.07802	5.7
131.04916	4.1
131.08565	21.9
132.05714	4.5
133.06528	12.4
133.10138	34.7
135.04436	4.7
135.08047	13.6
135.11705	6.4
137.06026	9.1
137.09608	8.9
139.07501	6.0
139.11237	2.7
141.07016	6.6
141.09135	2.4
142.07767	10.4
143.08566	25.7
145.06485	14.4
145.10144	29.3
147.04417	54.7
147.08069	26.6
147.11694	32.6
149.09612	23.4
149.13290	4.9
151.07491	3.4
151.11111	2.2
153.07018	2.5
155.06064	2.8
155.08594	5.8
156.05754	1.7
156.09364	7.3
157.06500	7.3
157.10139	22.7
158.07269	2.4
159.08034	3.8
159.11703	11.5
160.05229	4.2
161.05998	5.4
161.09647	15.2
161.13284	11.0
162.06891	1.8
163.07587	3.4
163.11169	8.4
165.07024	3.9
165.09056	2.0
165.12779	3.3
166.07800	6.1
169.10231	2.8
171.08102	5.2
171.11723	34.4
173.06030	9.5
173.09633	16.7
173.13297	4.0
175.07561	18.9
175.11180	32.1
175.14795	10.8
177.09100	2.5
177.12746	4.8
179.10696	5.2
181.10124	7.3
184.08812	3.7
187.11182	2.4
189.09132	4.1
189.12778	28.4
189.16388	10.0
190.06305	4.7
190.12996	2.0
191.10571	8.9
192.11386	4.5
195.78723	1.7
199.11203	27.7
199.14842	2.3
203.07066	4.1
207.08119	1.9
207.10156	2.8
207.13744	2.0
217.08662	5.1
217.12265	68.2
217.15701	15.2
217.19260	2.1
218.12704	2.3
218.16307	2.1
218.18556	1.9
235.07562	2.6
235.09648	10.1
235.13274	49.8
235.16905	42.7
235.20616	3.5
236.17433	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Pterosin N
Peak:m/z	Relative Intensity
50.23474	1.1
53.03947	5.5
55.01875	31.6
55.05510	12.7
55.24301	1.3
57.03428	3.8
57.07065	5.5
59.04997	5.5
62.84456	1.4
65.03944	8.0
67.05508	21.3
69.03427	9.0
69.06722	2.3
69.07071	30.0
69.13039	8.8
71.04996	8.8
73.06551	3.6
79.05497	27.6
81.03426	8.3
81.07052	26.3
83.04987	7.5
83.08614	2.2
83.66269	1.3
85.02917	2.3
85.06544	3.5
91.05482	93.9
92.05795	1.6
93.07045	26.7
95.01328	1.8
95.04989	11.1
95.08598	15.9
97.06531	10.6
97.10179	1.7
99.08090	2.0
103.05445	3.2
104.07117	1.7
105.03362	1.5
105.04515	1.5
105.07030	45.3
107.04952	11.5
107.08604	19.0
109.02842	1.8
109.06549	6.1
109.10172	7.2
111.08081	56.7
115.05452	7.2
115.07593	1.7
117.07028	17.4
119.04942	33.5
119.08585	30.7
119.09433	1.4
121.06507	16.5
121.10139	13.5
123.04433	2.9
123.08065	5.0
123.09065	1.2
123.11692	1.8
125.05994	2.0
125.09600	2.2
128.06221	8.2
129.06996	20.5
130.07765	3.6
131.04921	2.5
131.08574	13.5
132.05682	2.8
133.06505	6.8
133.10133	27.1
135.08051	10.0
135.11703	4.4
137.05965	5.7
137.09641	4.7
137.13292	1.3
141.07010	3.2
142.07793	2.6
143.08556	15.4
143.31308	1.3
145.06506	7.1
145.10127	25.5
146.07283	1.6
147.04408	100.0
147.08040	13.2
147.11696	15.3
148.04761	2.5
149.05969	2.5
149.09616	5.5
149.13252	3.6
151.07516	2.7
151.11165	2.1
152.04645	1.9
153.06987	1.7
155.06007	1.3
155.08556	3.1
156.09291	3.1
157.06519	3.7
157.10095	8.7
159.08044	1.9
159.11679	8.9
160.05261	2.1
161.05936	3.6
161.09618	8.2
161.13284	9.2
163.07567	1.8
163.11209	7.7
165.05475	5.3
165.06876	2.3
167.07045	6.1
171.08011	1.7
171.11679	20.0
173.05943	2.0
173.09569	8.3
173.13316	2.6
175.07562	7.0
175.11188	9.8
175.14853	9.0
177.12799	2.4
179.10719	4.2
181.10205	2.1
183.06506	13.1
189.09090	3.2
189.12773	10.2
189.16382	14.5
191.10640	7.4
199.11221	8.7
199.14859	5.0
201.07684	2.9
203.07095	2.0
207.09975	2.3
207.13905	2.4
217.08836	2.0
217.12253	34.2
217.15836	19.1
217.19414	2.3
235.09576	3.7
235.13295	28.3
235.16908	37.6
235.20624	3.5
245.48192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	2.8
55.05515	2.9
57.03468	0.5
57.07077	0.8
59.04998	0.5
65.03940	4.0
67.05502	3.6
68.68008	0.4
69.03432	1.3
69.07074	21.6
70.57803	0.9
71.04996	2.0
73.06565	3.6
79.05493	6.8
81.03440	2.2
81.07072	3.3
83.04992	2.1
85.06535	0.5
85.28627	0.4
91.05486	55.3
92.05803	0.7
93.07044	4.4
95.04977	3.3
95.08603	1.4
97.06532	5.5
100.65965	0.4
103.05479	1.0
105.03394	1.3
105.04529	0.5
105.07030	5.6
105.69933	0.4
107.04961	1.1
107.08585	2.6
109.06502	0.9
109.10159	1.1
111.08076	0.8
113.06012	0.5
115.05467	1.8
115.07578	1.9
116.06230	0.6
117.07023	1.8
119.04951	28.8
119.08579	4.2
119.53605	0.4
120.08145	0.7
121.05651	0.5
121.06510	8.7
121.10175	2.2
123.04438	0.7
123.08076	0.9
123.11758	0.4
128.06255	1.1
129.07019	1.5
131.04977	0.6
131.08557	1.5
133.06497	1.9
133.10161	2.7
135.04431	0.6
135.08043	1.4
135.11655	0.4
141.78905	0.4
142.07813	0.4
143.08609	1.1
145.06493	1.9
145.10135	1.2
147.04416	100.0
147.07999	2.4
147.11714	2.0
148.04762	1.9
149.09587	1.4
156.09300	0.5
157.06435	0.7
157.10133	1.0
159.11742	0.7
161.02354	0.8
161.06000	0.8
161.09599	1.0
161.13269	1.2
162.06657	0.5
163.07518	0.7
171.11743	0.7
173.06013	0.7
173.09596	1.6
175.07538	2.4
175.11134	1.0
175.14836	1.3
177.12822	0.7
179.10684	0.7
183.06584	0.4
189.09012	0.5
189.12749	1.5
189.16342	0.8
190.06311	1.0
199.11165	0.5
217.05119	0.5
217.12253	19.0
217.15732	4.7
218.12523	0.5
229.95070	0.4
235.09537	0.9
235.13344	4.3
235.16928	7.2
236.17143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02378	1.5
53.03948	7.1
55.01876	0.7
55.05496	2.2
65.03947	1.1
67.05507	20.6
69.07076	3.0
70.93069	0.4
70.93424	0.6
71.04982	1.0
77.03933	1.9
79.05496	32.0
80.05807	0.7
81.07062	8.4
81.70263	0.4
83.04996	0.5
83.08636	1.2
84.18137	0.4
85.06545	0.5
91.05486	38.3
92.05829	0.7
93.07047	100.0
94.07366	1.7
95.04978	8.7
95.08609	6.5
97.06535	0.7
99.08057	0.6
105.04508	3.5
105.07029	5.3
107.08595	15.6
109.06535	0.6
109.10136	2.1
117.07022	2.0
119.08591	4.7
121.06493	0.9
121.10148	24.5
122.10481	0.7
123.08067	0.6
129.07001	1.6
131.08594	2.4
133.10136	6.6
135.08037	1.9
135.11685	5.0
137.09621	1.1
143.08562	0.7
145.10101	0.9
147.11711	1.0
149.09636	1.2
153.09116	0.9
157.10135	1.7
161.09523	0.6
167.10713	0.5
171.11711	1.5
173.13304	0.8
175.11247	0.6
175.14784	2.6
179.10713	0.8
189.12790	0.8
189.16399	1.4
190.74097	0.4
199.14856	3.3
210.36526	0.5
217.15887	1.7
235.16940	15.1
236.17267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03954	5.9
53.60369	1.0
55.01868	4.4
55.05514	100.0
55.88237	1.3
56.05838	2.0
57.03428	3.0
57.07075	6.2
59.05013	1.4
61.25983	1.1
64.68151	1.2
65.03958	2.3
66.13750	1.2
67.05509	10.3
67.87785	1.3
69.03421	4.7
69.07067	4.6
71.04993	24.9
71.30568	1.8
79.05499	17.8
79.57841	1.1
81.03423	4.8
81.07056	18.1
83.04989	12.3
83.08606	1.5
85.02916	2.9
85.06580	2.0
85.44817	1.5
91.05484	29.0
93.07052	24.1
95.04968	11.4
95.08604	9.9
97.06508	2.8
99.08093	4.2
103.05467	3.6
105.07030	21.4
107.04935	6.8
107.08601	19.9
109.02887	1.7
109.06525	8.0
109.10160	6.3
110.10528	1.3
111.04474	1.9
111.08064	1.8
115.05441	5.1
116.06251	2.2
117.07033	7.9
119.08584	16.9
121.06507	6.6
121.10147	16.5
123.08068	5.2
125.06004	1.6
127.07545	1.7
128.06252	3.1
129.07028	8.2
131.04909	2.6
131.08563	18.1
133.06499	5.0
133.10139	12.0
133.81348	1.3
135.08035	6.1
135.11703	6.8
136.06201	4.4
137.06541	5.5
137.09616	15.7
142.07838	2.1
143.08585	7.2
145.06480	4.9
145.10101	6.3
146.03601	2.1
147.04440	2.1
147.08092	6.2
147.11729	8.5
149.09619	55.5
151.11169	3.5
153.07030	2.6
157.06526	6.0
157.10146	5.6
159.11722	3.0
161.02356	1.3
161.06012	2.8
161.09613	6.4
161.13298	2.5
162.10313	1.5
163.11224	2.8
169.06427	1.8
171.11647	2.7
173.06055	2.0
173.13132	1.2
175.07558	4.1
175.11234	4.8
175.14809	4.2
177.12767	2.3
179.10680	8.4
181.12331	1.4
189.09149	1.7
189.16399	6.5
190.06203	1.5
193.15895	2.1
199.14769	2.7
217.08574	2.1
217.12263	2.7
217.15892	18.0
218.15965	1.3
235.07642	2.5
235.09738	5.7
235.13419	18.8
235.16943	41.0
236.05325	1.2
236.17303	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	235.1695
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.03945	12.2
53.66157	2.7
55.05522	5.4
57.07080	8.3
58.50608	2.6
67.05510	28.8
69.07070	4.5
72.12692	3.4
72.60419	2.5
77.03911	2.6
79.05495	59.4
81.07069	18.5
83.08642	3.9
85.06572	2.7
91.05492	44.3
91.13965	3.0
93.07050	100.0
94.07407	3.1
94.74746	3.2
95.04972	9.4
95.08618	12.7
95.48597	2.6
96.43559	3.0
105.07056	12.8
107.08600	22.6
109.10181	3.1
117.07005	3.9
119.08594	11.0
121.06509	4.0
121.10152	46.7
131.08563	4.0
131.18320	2.9
133.10162	11.8
135.08063	3.8
135.11714	6.4
171.07152	2.8
175.11229	2.9
175.14859	8.2
179.10571	4.3
189.16319	5.3
199.14861	7.4
217.15948	7.1
235.05910	4.1
235.11060	4.0
235.13219	4.0
235.16943	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
50.15321	3.6
53.03951	7.3
55.01876	5.4
55.05510	16.0
57.07076	15.9
65.03984	4.5
67.05515	48.6
69.07072	17.8
70.15236	8.2
70.15588	10.5
73.51397	4.1
76.98659	4.3
79.05500	100.0
81.07058	52.0
83.08650	5.5
85.06570	4.2
91.05479	55.4
93.07041	98.6
95.04990	8.4
95.08607	33.5
99.79498	4.2
105.07056	27.7
107.04990	5.0
107.08597	61.4
109.06541	14.0
109.10152	12.7
115.05474	10.3
117.07047	12.9
119.08579	34.8
120.08932	4.0
121.06552	8.3
121.10146	69.0
128.06226	5.6
129.07019	9.7
131.08612	17.5
133.10165	28.5
135.08093	6.3
135.11720	14.3
137.09592	8.5
143.08554	8.2
147.08081	6.4
147.11705	9.4
157.10146	8.7
159.11703	5.8
171.11751	5.8
173.05952	4.9
173.13246	8.6
175.07533	9.1
175.11316	5.5
175.14859	9.9
179.10701	10.0
189.16377	10.1
190.69826	5.1
199.14862	12.1
207.10202	5.8
217.15904	10.9
235.09529	5.5
235.10948	6.3
235.14648	5.2
235.16908	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
53.03953	5.8
55.01900	1.5
55.05522	5.9
55.05732	1.3
57.07078	2.8
63.23706	1.2
65.03922	1.4
67.05508	29.5
69.03429	7.0
69.07085	7.5
69.22394	3.3
69.22812	4.1
71.04981	2.7
79.05492	54.9
81.03434	1.9
81.07059	20.1
83.04983	2.6
83.08595	1.6
85.06554	2.2
91.05486	44.9
91.64053	1.1
93.07049	100.0
94.07353	1.8
95.04973	7.6
95.08607	15.7
97.06509	2.3
97.10162	1.6
105.04501	4.1
105.07040	13.8
107.08595	33.0
109.06508	3.1
109.10163	4.4
111.08094	1.3
115.05451	1.3
117.07027	3.1
118.61564	1.2
119.08575	12.6
121.10146	44.7
123.08115	1.8
123.11723	1.6
129.06990	1.7
131.08565	4.0
133.10136	12.4
135.08040	4.6
135.11693	8.9
135.26091	1.1
137.09587	1.4
143.08577	2.0
145.10112	2.9
146.05908	1.1
147.08025	1.6
147.11693	2.0
149.09596	2.1
151.11270	2.3
153.09045	1.8
157.10101	4.5
159.11668	1.2
171.11714	2.0
173.13290	2.1
175.14809	7.5
179.10677	2.8
189.12822	2.5
189.16357	2.8
193.08633	3.0
199.14822	7.4
217.15887	5.2
219.59360	1.2
235.10869	2.2
235.13138	3.7
235.16913	50.8
235.20636	3.1
236.17216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2058
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
51.37923	1.7
55.01867	2.3
55.05519	14.2
57.02299	1.9
57.03424	1.8
57.07062	7.7
59.04993	2.1
65.03940	3.6
67.05181	2.3
67.05508	32.6
69.03439	2.2
69.07072	22.2
71.04998	26.8
79.05499	15.3
81.03412	3.8
81.07064	40.7
83.04976	3.3
83.08617	6.7
85.06042	1.8
85.06538	5.7
91.05487	18.1
93.07056	37.7
95.04983	4.2
95.08610	100.0
97.06516	5.1
97.10145	3.1
99.08092	5.7
103.05439	2.5
105.07035	20.5
107.04959	4.0
107.08604	52.6
109.06503	3.7
109.10161	38.7
111.08064	3.5
113.09602	2.2
115.05441	7.6
117.07011	7.5
119.08606	30.5
121.06518	5.5
121.10152	32.9
123.08064	6.2
123.11711	13.5
125.09631	4.3
127.11183	8.1
131.04993	2.1
131.08542	5.9
133.09233	2.0
133.10147	26.2
135.11707	11.5
137.09593	6.4
137.13272	10.3
143.08575	3.4
145.06487	5.5
145.10136	4.3
147.08037	6.5
147.11697	21.7
149.09593	3.1
149.13269	68.1
151.11169	4.0
159.11688	5.2
161.06033	2.1
161.09608	4.1
161.13287	20.3
163.14818	7.0
165.12830	2.5
171.11752	2.2
173.05919	4.6
173.13268	3.8
175.07562	6.4
175.11151	5.4
175.14835	9.8
177.16386	4.2
179.10706	3.5
184.11519	2.0
189.12770	2.2
189.16403	6.3
191.17780	3.2
207.08243	2.3
207.10153	3.1
217.08499	3.7
217.12222	4.2
217.15884	5.8
217.19498	25.8
227.40877	2.0
235.07666	2.0
235.09450	3.7
235.13251	6.7
235.16957	21.3
235.20566	61.5
236.20917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03943	2.5
53.68063	1.9
55.05512	16.0
57.07061	7.4
61.00480	1.7
67.05176	2.7
67.05507	31.9
69.07070	26.1
70.50748	4.3
71.04655	2.8
71.04993	34.4
73.23775	1.9
79.05497	14.4
81.03407	5.4
81.07059	44.0
83.08624	7.4
85.06534	2.7
91.05465	12.1
93.07049	46.9
95.04955	2.6
95.08606	100.0
97.06508	2.3
97.10184	3.8
98.08255	1.9
98.84332	1.7
99.08067	6.8
105.07027	20.9
107.08598	65.0
109.06521	3.1
109.09454	3.4
109.10158	47.6
111.08084	4.3
111.11710	2.6
113.09608	2.6
115.05449	3.3
117.06995	2.8
119.08595	34.6
121.01332	1.9
121.10141	36.7
123.08038	4.6
123.11726	16.4
125.09653	5.2
127.11215	13.4
131.08514	1.9
133.06400	2.4
133.10129	36.0
135.11685	8.2
137.09557	3.9
137.13237	13.4
139.11139	2.9
145.06461	2.7
145.10144	2.8
147.08054	4.3
147.11685	23.0
149.13252	81.5
151.11162	3.3
151.14864	2.1
161.09515	2.4
161.13271	22.0
163.14825	11.1
165.12813	3.5
173.05911	2.2
175.11206	2.8
175.14803	9.4
177.16364	6.6
179.10579	2.0
179.14339	5.4
189.12756	3.3
189.16364	4.3
191.17883	3.8
207.10240	2.8
217.15921	3.6
217.19522	33.3
235.17062	9.6
235.20547	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	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03933	2.3
55.01866	2.6
55.05513	18.8
57.03434	2.6
57.07074	20.3
57.82039	1.2
65.03941	2.6
67.05507	93.4
69.07075	18.5
71.04987	5.1
71.08645	6.7
76.14088	1.1
79.05059	2.3
79.05492	31.6
79.29108	1.1
80.01505	1.1
80.80878	1.1
81.07059	100.0
83.04966	3.7
83.08633	8.7
85.06545	14.0
85.10168	4.2
91.04963	2.3
91.05485	28.4
93.07047	31.1
95.04957	4.6
95.08612	81.8
96.08978	1.3
97.06534	10.9
97.10139	2.8
99.08099	13.3
103.05453	1.8
105.07034	18.3
107.08600	19.8
109.02888	2.6
109.06509	3.2
109.10154	30.6
111.08081	8.1
113.09634	5.4
114.51220	1.2
116.98624	1.4
117.07025	2.5
119.08585	22.1
121.10150	19.9
123.08087	6.1
123.11714	19.0
125.09615	1.3
127.11074	1.3
129.06967	1.6
131.08563	2.9
133.06438	1.3
133.10139	25.8
135.11703	20.0
137.09615	4.6
137.13260	23.9
139.11180	1.6
147.08049	1.9
147.11687	14.0
149.05922	1.4
149.09608	1.9
149.13243	5.1
151.07565	1.8
151.11186	4.2
151.14824	8.3
153.12756	2.3
159.11649	1.6
159.32268	1.1
161.13274	13.7
175.07436	1.3
175.11115	1.7
175.14803	8.1
177.16510	1.9
179.10625	1.9
189.16399	5.0
191.17998	2.7
193.12215	1.3
217.12262	3.3
217.19518	44.3
220.12372	2.6
235.11105	2.7
235.13022	8.1
235.16988	10.6
235.20563	81.4
236.20831	1.5
239.63629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1234
Annotation	Phe-ala
Peak:m/z	Relative Intensity
55.05526	1.2
56.96589	1.2
57.07064	1.4
63.53312	0.9
68.05023	1.0
69.07066	2.3
69.31815	1.8
69.32217	4.1
70.06632	1.2
71.04982	1.3
72.08173	1.8
74.02438	2.7
79.05521	1.8
79.87358	1.0
81.07073	1.8
88.82979	1.2
91.05475	2.2
93.07033	1.8
94.06569	5.5
103.05493	5.7
104.04986	1.1
107.05019	2.1
107.08528	1.1
118.06535	5.2
119.08591	1.1
120.04476	2.1
120.08110	100.0
121.06546	1.3
121.08476	2.2
121.10171	1.4
123.05561	1.1
124.24252	1.0
128.04971	1.5
131.04933	3.6
132.04482	1.6
135.04422	1.7
136.07574	9.3
145.02948	1.3
146.06009	42.4
148.03960	5.9
148.05098	1.7
149.06020	2.9
150.05493	3.1
163.03973	3.2
163.08835	1.3
164.07130	1.3
166.08643	54.8
174.05498	8.4
177.05493	2.1
185.86041	1.0
185.94604	1.0
191.08156	3.2
191.11841	3.6
192.06526	5.3
192.10167	2.0
202.05058	1.7
220.06084	1.2
237.07623	1.8
237.09082	1.1
237.12427	6.6
237.22090	2.3
241.14615	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
51.02387	3.7
51.84814	3.6
53.03946	5.3
55.01862	3.5
55.05514	25.1
57.03419	3.8
57.07059	6.8
59.05006	8.2
65.03945	6.7
67.05507	31.3
69.03433	9.8
69.07067	32.4
69.34921	15.0
69.35323	8.4
71.04993	52.4
73.06531	3.2
74.62174	2.8
79.05492	30.2
81.03376	4.7
81.07056	79.7
83.04984	14.6
83.08615	11.6
85.06551	5.2
91.05482	28.7
93.07043	53.6
95.04974	100.0
95.08607	59.9
97.06538	31.0
97.10181	7.5
98.22653	8.2
99.04444	4.6
99.08090	13.9
101.06005	3.2
103.05447	3.1
105.07021	65.6
107.08583	60.0
109.02892	6.9
109.06541	18.6
109.10151	52.3
111.08064	7.5
111.11769	4.0
116.76708	3.2
117.07011	3.1
119.08598	26.6
121.06461	3.5
121.10148	56.7
123.08080	9.5
123.11710	28.3
125.09629	12.3
127.07523	6.5
127.11204	9.1
130.07788	4.6
131.08565	17.1
133.06442	3.7
133.10130	94.1
135.08055	13.0
135.11700	32.7
137.09663	10.6
137.13269	4.9
139.11208	9.3
143.10684	4.8
145.10106	24.7
147.11713	18.0
149.09576	7.9
149.13269	34.6
151.11174	52.2
152.79314	3.3
153.12741	9.1
156.79387	3.3
159.11678	23.6
161.13293	11.2
163.11166	10.0
173.13289	4.9
174.32632	3.6
175.14839	11.9
177.12737	6.4
177.16423	5.5
189.16428	7.1
190.71738	3.3
191.17984	10.4
201.12587	3.3
201.16367	14.1
219.13916	6.9
219.17401	31.4
237.14819	7.1
237.18486	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03942	5.2
55.01864	8.7
55.05510	27.4
57.03416	5.3
57.07065	7.0
59.04993	5.0
67.05502	26.4
68.09582	2.5
69.03427	25.9
69.07064	20.6
70.26228	7.2
71.04994	59.5
79.05492	30.4
81.07058	100.0
83.04987	16.2
83.08611	8.4
85.06552	10.3
91.05471	32.8
93.07049	60.3
95.04967	23.8
95.08607	42.4
97.06528	17.7
99.08086	33.2
103.05469	4.4
105.07031	72.1
107.04942	3.0
107.07879	2.7
107.08596	53.0
109.06519	22.1
109.10161	36.7
111.04465	3.1
111.08073	7.6
117.07010	10.6
119.08573	24.8
121.06509	4.2
121.10141	32.5
123.08068	6.3
123.11697	28.8
125.09620	7.8
127.07572	14.4
127.08357	2.3
127.11189	26.0
129.06998	3.1
131.05003	3.0
131.08562	19.1
133.10132	85.2
135.08041	3.7
135.11707	17.4
137.09612	6.4
139.11171	12.2
143.10666	7.9
145.10138	21.5
147.08014	3.9
147.11667	17.5
149.09602	6.7
149.13257	11.6
151.11182	81.8
153.12732	3.3
155.10666	7.3
159.11684	18.5
161.13257	9.8
163.03918	12.3
163.07605	2.8
163.11151	8.1
165.12729	4.2
173.13235	11.5
175.14848	4.1
177.12683	2.8
177.16322	5.0
191.18039	4.0
192.06575	2.4
201.16382	18.3
219.10147	5.6
219.13881	5.7
219.17451	44.3
229.15320	2.8
234.65955	2.8
237.05511	3.5
237.09128	5.5
237.11107	3.9
237.14780	8.3
237.18504	65.3
238.15997	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01878	0.9
55.05500	2.1
56.73080	0.7
60.47740	0.8
62.59748	0.8
63.83008	0.7
67.05505	4.2
69.03421	1.0
69.07088	3.5
69.07397	0.9
71.04993	12.5
71.12235	1.2
71.39011	0.6
79.05502	6.8
81.07063	9.1
83.08614	1.3
85.06527	1.7
91.05473	6.9
92.86316	0.7
93.07043	17.5
95.04958	1.5
95.08615	7.3
97.06532	2.2
99.04472	0.9
99.08096	3.5
104.13039	0.8
105.07031	20.9
107.08594	29.1
109.06523	2.6
109.10153	11.3
111.08068	1.8
117.07024	2.7
119.07774	1.0
119.08581	13.0
120.08199	0.8
121.06496	1.8
121.10126	6.2
123.08073	1.9
123.11715	2.8
125.09651	4.7
127.11157	4.1
131.08559	3.0
133.10127	22.0
135.08043	3.9
135.11681	2.7
137.09654	0.9
138.09164	1.4
139.11176	3.8
143.10655	1.8
145.10117	9.5
147.04427	1.5
147.11667	3.7
149.09612	1.3
149.13278	1.9
149.14684	0.7
151.11180	100.0
152.11542	1.2
153.65254	0.7
159.11696	8.3
161.13298	2.9
163.03955	1.0
163.11172	2.8
163.14830	3.3
173.13280	2.4
175.14796	2.1
177.12747	2.7
191.14352	2.4
191.17921	1.8
201.16394	7.4
219.14069	1.3
219.17433	21.8
237.14888	2.6
237.18489	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
50.47231	2.8
55.05521	18.9
57.07078	6.2
59.05008	4.1
61.53262	2.7
67.05505	28.3
69.03433	10.2
69.07072	18.4
70.47868	6.4
71.04994	39.7
79.05491	22.8
81.07062	100.0
83.04985	9.1
83.08607	5.3
85.06535	7.9
89.71777	3.0
91.05485	25.7
93.07047	90.8
95.04971	35.4
95.08613	56.9
97.06535	13.3
97.10170	3.3
99.08099	12.1
105.07037	59.4
107.08603	44.1
109.06519	16.7
109.10151	41.3
111.08074	8.2
113.06010	4.3
117.07046	3.9
119.08588	27.0
121.06532	3.0
121.10157	32.2
123.08081	8.8
123.11715	40.8
125.09660	10.2
127.07580	6.2
127.11218	11.8
131.08575	11.7
133.10138	82.1
134.00374	2.6
135.08064	5.8
135.11694	21.3
135.22241	2.5
137.09593	6.2
137.13246	3.3
139.11272	6.0
143.10687	3.1
145.10135	15.8
147.11728	17.3
149.09671	6.7
149.13278	14.1
151.11195	55.0
151.12325	5.1
155.10634	3.6
159.11734	16.5
161.13272	11.4
163.11246	3.2
165.12680	2.9
173.13203	7.7
177.16295	3.5
189.16481	3.7
191.14366	3.9
191.17995	10.5
195.17310	2.7
201.16420	22.2
207.17661	2.8
219.17477	49.0
237.18509	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.02390	0.9
53.03940	2.3
55.01880	2.4
55.05511	8.9
57.03434	1.1
57.07079	2.8
59.05000	7.9
65.03944	0.8
67.05505	7.6
69.03436	5.1
69.07072	18.1
71.04996	10.8
71.31093	0.5
73.06557	2.6
75.85814	0.5
77.03951	0.6
79.05499	9.2
81.03431	2.2
81.07063	18.0
82.29350	0.4
83.04992	7.5
83.08622	2.1
85.06561	2.9
87.04471	3.4
90.34665	0.4
90.76522	0.4
91.05486	10.0
93.07050	35.1
94.07414	0.7
95.04969	5.0
95.08609	14.3
97.06538	9.3
97.10172	1.1
99.08102	3.0
103.05490	0.9
105.04531	1.0
105.07034	12.2
106.28929	0.4
107.04955	1.2
107.08601	17.1
108.04504	0.5
109.06541	4.5
109.10162	10.8
111.04483	0.7
111.08076	2.8
111.11752	0.4
113.06017	0.5
113.09648	0.9
115.05486	0.9
115.07592	4.0
116.32903	0.4
117.07003	2.2
119.08588	8.0
121.06512	2.1
121.10143	7.9
123.04478	0.8
123.08069	8.2
123.11714	5.2
125.09621	2.2
127.07552	1.7
127.11190	7.7
129.06998	0.9
130.07774	0.5
131.08577	3.8
133.06552	0.4
133.10138	11.0
135.08031	3.2
135.11703	11.7
137.09615	1.7
137.13263	2.2
139.11163	2.1
141.09077	0.6
143.10672	1.5
145.10136	7.8
147.08034	1.0
147.11707	2.6
149.05986	100.0
149.09605	2.8
149.13277	2.1
150.06323	2.2
151.07573	1.1
151.11183	14.8
151.14723	0.5
155.10670	2.0
159.08128	0.6
159.11700	6.1
161.05914	0.6
161.13278	6.2
163.03961	0.6
163.11226	2.2
163.14778	1.4
164.08328	0.6
173.13266	1.5
175.11223	1.0
175.14830	1.5
177.09096	2.6
177.12727	0.6
177.16429	0.9
179.14307	1.7
181.12283	0.5
189.12596	0.6
189.16393	1.1
191.14256	0.8
191.17957	2.2
194.07231	0.6
201.12692	0.9
201.16415	5.8
207.17331	0.9
219.13835	22.9
219.17374	11.9
220.14136	0.5
220.17667	0.7
237.05537	0.9
237.09192	1.0
237.12640	0.9
237.14726	4.9
237.18489	16.6
238.18840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
53.17918	2.5
55.01875	4.4
55.05511	13.1
57.03437	2.1
57.07077	3.7
59.05004	6.4
61.36277	2.0
62.55128	2.3
63.04679	2.3
67.05508	22.5
69.03428	11.7
69.07059	11.3
70.43790	3.2
70.44133	6.2
71.05001	42.9
79.05499	20.2
81.07064	76.5
82.76206	2.4
83.05003	3.6
83.08634	4.8
85.06551	7.3
91.05481	25.0
93.06470	4.2
93.07051	66.8
95.04981	11.0
95.08614	35.8
97.06554	7.4
97.10177	2.9
99.08099	29.3
105.07037	68.1
107.08607	40.3
109.06530	14.9
109.10155	27.2
111.08061	4.8
113.09634	2.8
117.07047	7.9
119.08562	19.2
121.10169	18.3
123.08076	7.3
123.11717	33.0
125.09648	9.8
127.07570	13.5
127.11202	16.8
131.08568	12.6
133.10136	90.2
135.08083	3.0
135.11708	11.0
137.09685	3.7
139.11244	2.9
143.10699	6.2
145.10081	16.4
147.11671	16.1
149.09669	4.1
149.13281	7.3
151.11188	100.0
152.11479	3.9
155.10687	5.8
159.11707	15.0
161.13298	7.5
163.11273	4.2
173.13312	9.9
175.14885	3.4
177.12752	4.1
191.18025	4.6
201.16374	21.8
219.17444	60.6
219.19519	4.1
237.18512	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	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.40728	3.5
53.03933	6.9
55.01867	8.0
55.05512	75.0
57.03434	6.7
57.07071	8.9
59.04994	15.0
67.05506	31.8
68.14835	3.0
69.03425	18.9
69.07067	33.1
70.36153	6.0
71.04992	46.1
75.19859	3.4
79.05489	34.3
81.07059	100.0
83.04987	95.9
83.08610	9.3
85.06538	14.0
87.04459	5.4
91.05474	31.2
93.07046	64.8
95.04958	23.2
95.08598	56.5
97.06525	29.4
97.10129	3.8
99.08083	15.5
99.79353	3.6
103.05486	5.5
105.07027	55.1
107.08591	66.5
109.06510	19.4
109.10150	62.2
111.08066	25.3
115.05443	4.4
115.19387	3.3
117.07011	14.7
119.08585	27.7
120.14829	4.2
121.06490	9.8
121.10137	65.8
123.08080	17.5
123.11717	29.1
125.09620	10.8
127.07513	3.9
127.11196	20.6
127.26948	3.0
131.04945	4.2
131.08606	19.0
133.10126	72.9
135.08049	9.7
135.11707	34.4
137.09616	9.8
137.13145	5.0
139.07643	3.9
139.11169	37.3
144.05649	4.9
145.10120	24.8
147.11661	22.4
149.05988	25.4
149.09572	10.7
149.13231	21.0
151.11179	68.6
153.09142	4.9
153.12729	10.8
155.10640	7.5
159.08073	6.9
159.11688	37.7
161.13243	22.2
163.03932	4.5
163.11241	11.9
165.12648	4.3
173.13327	6.0
175.14767	7.4
177.12733	8.0
177.16371	7.8
179.14355	4.7
191.18030	8.5
193.16040	4.0
201.16383	20.4
216.12753	4.2
219.13852	5.2
219.17424	64.3
237.14783	9.3
237.18488	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01879	2.2
55.05507	14.5
57.03427	5.1
57.07079	4.6
59.04994	2.9
65.03925	2.1
67.05506	16.7
69.03074	3.2
69.03428	34.1
69.07063	11.8
71.04994	71.2
73.06566	2.8
79.05480	14.8
81.07056	56.0
83.04981	5.6
83.08619	6.4
84.57618	1.6
85.06532	7.1
91.05492	16.1
91.37749	1.5
93.07042	40.7
95.04969	10.3
95.08044	2.4
95.08611	29.4
97.06544	8.8
97.10168	5.1
98.23401	5.5
99.08104	16.6
105.07033	50.2
107.08598	46.0
109.06519	28.8
109.10164	26.9
111.08122	2.5
111.11728	1.9
113.05983	1.6
113.09667	2.2
117.07030	7.1
119.01689	1.8
119.06113	2.1
119.08584	20.7
121.10150	23.3
123.08058	10.7
123.11720	19.0
125.09653	10.8
127.07564	7.4
127.11202	62.3
130.07799	2.3
131.08565	9.4
133.10132	94.1
133.43645	1.7
134.10483	2.0
135.08078	1.9
135.11703	8.3
137.09608	2.2
139.11197	11.1
143.10703	11.9
145.10129	27.4
147.11723	9.2
149.09660	2.0
149.13292	5.2
151.11185	100.0
152.11531	2.5
155.10689	21.5
159.11705	18.7
161.13278	5.5
163.11185	6.2
163.14824	1.9
173.13286	5.7
175.14923	8.7
177.12683	4.0
177.16440	3.3
191.17941	2.6
201.16393	21.0
219.13968	2.1
219.17462	23.8
237.14716	3.1
237.16548	1.4
237.18510	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
51.49515	3.2
53.00307	2.9
55.01868	5.8
55.05265	4.5
55.05509	39.5
57.03439	4.8
57.07072	4.0
57.28687	2.9
59.04994	9.2
67.05501	17.9
67.75045	2.8
69.03432	28.4
69.07072	14.9
69.41361	5.7
69.41776	12.4
71.04998	65.4
73.06578	3.7
78.05351	3.0
79.05499	15.4
81.07053	79.6
83.04983	33.5
83.08606	3.7
85.06540	8.1
91.05486	14.8
93.07043	36.6
95.04971	13.5
95.08601	29.8
97.06528	18.7
98.06844	2.9
99.08092	27.0
103.58375	3.3
105.07035	38.3
107.08596	41.8
109.06524	20.3
109.10144	35.7
111.08025	6.3
119.08594	23.4
121.10155	26.8
123.08073	8.5
123.11698	21.2
124.33302	3.1
125.09654	9.5
127.07545	9.4
127.11198	62.5
127.36787	3.3
131.08536	9.2
133.10124	69.2
133.41528	3.4
135.08105	4.4
135.11652	14.4
137.09613	3.3
139.11203	16.9
143.10695	9.5
145.10106	26.3
147.11699	12.6
149.13298	9.5
151.11180	100.0
153.12659	4.1
155.10657	19.5
158.11052	3.5
159.11720	20.0
161.13231	8.8
163.11185	6.2
175.14821	3.8
177.12805	4.4
191.17969	5.7
201.16373	15.1
219.17430	25.5
237.18491	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
50.31355	2.6
53.03949	4.5
55.01884	3.3
55.05515	19.5
56.16499	2.5
57.03450	3.2
57.07079	8.5
59.05008	7.3
63.22544	2.6
67.05511	27.3
69.03434	26.3
69.07058	17.9
71.04996	53.9
76.06485	2.9
79.05490	21.5
81.03403	3.2
81.07062	100.0
83.04985	6.9
83.08617	4.7
85.06544	4.8
91.05492	25.8
93.07050	54.7
95.04972	17.2
95.08609	39.6
97.06534	12.3
97.10143	2.9
99.08102	39.3
105.07034	61.0
107.04947	3.6
107.08591	43.5
109.06535	21.0
109.10148	36.6
111.08103	3.5
113.09666	2.9
117.07001	4.7
119.08606	24.3
121.10150	22.5
123.08073	12.7
123.11709	15.9
125.09612	10.1
127.07571	14.5
127.11195	38.4
131.08551	13.8
133.10138	74.9
135.08054	3.5
135.11703	14.1
137.09630	5.4
139.08737	2.9
139.11212	7.5
143.10690	5.9
145.10141	25.1
147.11682	16.7
149.09616	3.3
149.13271	12.8
151.11183	80.8
152.11493	3.5
155.10660	13.8
159.11716	14.1
161.13252	9.2
163.11279	2.9
169.12209	3.7
173.13266	8.8
177.16354	4.0
191.17896	4.2
201.16406	18.6
202.16560	3.0
219.17424	42.0
228.82062	3.1
237.14874	4.0
237.18480	52.8
238.18990	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	237.1849
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03935	4.2
55.01878	2.2
55.05513	74.5
57.07073	3.5
59.05005	2.9
64.52232	1.9
67.05509	14.0
69.01860	18.2
69.03416	6.2
69.03759	2.0
69.07068	10.2
71.04996	36.2
73.06533	1.9
79.05477	9.3
80.58288	2.0
81.07054	37.9
83.04982	100.0
83.08608	2.1
84.05337	1.7
85.06525	2.8
91.05464	10.1
93.07035	23.6
95.04971	10.3
95.08601	19.4
97.06532	18.2
97.10191	2.1
99.08100	7.3
105.07024	25.8
107.08591	21.3
109.06499	11.7
109.10160	33.2
111.08096	13.6
117.07067	2.4
119.08630	9.3
121.10149	37.9
123.07266	1.8
123.08086	7.6
123.11707	21.6
125.09655	4.4
127.07569	2.7
127.11203	14.2
131.08572	5.4
133.10126	55.7
135.11687	13.6
137.09660	4.3
137.13205	2.1
139.11171	30.8
143.10646	3.1
145.10114	14.0
147.11703	11.3
149.09644	3.6
149.13249	15.4
151.09952	2.6
151.11183	51.7
153.12770	8.0
155.10681	4.0
159.11702	24.9
161.13289	4.3
163.11203	7.1
167.14310	2.4
173.13298	2.3
175.14836	2.0
177.12769	7.0
177.16411	2.6
181.12183	2.4
191.17993	3.8
201.16396	16.4
218.01328	1.9
219.17398	24.8
237.18509	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	237.1849
Annotation	(+)-Curcudiol
Peak:m/z	Relative Intensity
53.03945	1.0
55.01859	1.9
55.05508	3.6
56.40364	0.6
56.76087	0.7
57.07063	2.4
59.05000	1.0
67.05226	0.6
67.05510	6.8
68.58363	0.6
69.03435	3.3
69.07070	7.3
70.58298	1.0
70.58630	0.7
71.04983	2.8
72.86648	0.7
76.36080	0.8
79.05489	5.8
81.06577	1.0
81.07059	14.6
83.04987	1.8
83.08627	4.3
91.05482	6.1
93.07045	15.4
94.51839	0.7
95.04980	1.6
95.08611	8.3
97.06548	6.5
97.10193	0.9
104.07106	0.7
105.07013	7.6
107.04933	1.1
107.07859	0.9
107.08600	13.7
109.06509	2.8
109.10157	9.7
110.49734	0.6
111.08084	19.4
117.07008	1.8
119.08572	7.2
121.06506	4.6
121.10157	10.1
123.08045	3.2
123.11704	19.4
125.09615	2.4
131.08546	3.7
133.06511	1.1
133.10155	5.1
135.08034	6.1
135.11702	8.8
137.09610	2.6
139.07625	0.8
145.10103	6.6
146.06018	0.8
147.08087	1.1
147.11684	1.9
149.06006	6.8
149.09619	34.0
149.13249	3.9
151.11195	13.5
151.12337	0.6
159.11722	6.3
161.08415	0.7
161.09657	2.0
161.13263	13.5
163.03877	0.9
163.07513	0.9
163.11177	23.4
173.13332	1.0
175.11078	0.9
175.14795	1.7
176.11960	1.7
177.12727	2.9
177.16397	3.4
181.12259	1.3
189.12679	5.5
191.17938	2.3
201.16371	6.9
204.15150	6.1
219.17442	100.0
220.17737	4.2
237.09146	1.6
237.12517	1.1
237.14734	1.6
237.16624	1.0
237.18509	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	238.1075
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
52.43176	0.4
55.05525	0.7
56.96583	0.9
68.05019	0.5
69.03422	0.5
70.06594	0.6
70.91875	0.6
72.66120	0.4
79.05489	2.8
83.08610	0.4
84.08175	0.7
85.02917	0.8
87.66199	0.4
90.05546	0.8
91.05478	4.6
91.05944	0.5
93.07083	0.5
95.04983	0.5
96.04434	0.4
98.97639	0.4
100.03985	0.4
103.05479	8.1
103.70260	0.4
104.06324	0.5
105.07037	14.9
106.06574	1.0
107.04965	3.8
110.89233	0.5
116.98657	0.5
117.05753	2.7
117.07021	0.5
118.06551	9.0
118.07339	0.8
119.07327	13.4
119.08627	1.2
120.08116	15.6
121.06522	1.5
121.07657	0.5
121.08456	8.5
122.06202	0.5
124.03915	0.5
128.06210	1.4
129.07019	7.0
130.06519	0.8
131.04906	2.6
131.07318	2.3
131.08595	0.4
132.08116	1.2
135.04491	0.6
136.07593	0.5
138.05580	0.4
144.08076	1.6
146.09656	98.0
147.10008	2.5
149.05963	1.0
154.05034	1.1
164.10709	2.4
165.05545	0.5
169.38904	0.4
192.10204	100.0
193.10559	2.2
220.07257	0.5
220.09627	0.7
221.17545	0.4
238.02431	0.5
238.07034	0.8
238.10696	6.6
238.14578	0.6
239.08936	1.2
239.14201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
52.02829	1.2
55.01871	12.9
55.05515	13.2
57.03418	2.8
59.04953	1.2
65.03918	1.7
67.01856	2.1
67.05511	28.6
68.99793	59.6
69.03413	4.5
69.07059	3.2
69.20934	1.7
69.21342	7.4
71.04998	31.6
79.05501	10.0
81.03387	4.3
81.07056	16.9
83.04952	4.0
83.08604	3.1
84.04490	2.3
85.02900	3.7
85.06544	11.3
87.04456	2.8
89.75194	1.0
91.05487	15.4
93.06542	1.5
93.07049	16.8
95.04972	7.5
95.08613	38.8
97.02889	2.7
97.06537	28.7
99.04439	1.3
99.08078	4.0
100.11230	4.7
101.06028	2.4
105.07012	4.8
107.04960	2.1
107.08563	4.0
109.06492	4.2
109.10165	16.9
111.04447	100.0
111.07366	2.0
111.08083	29.4
119.08596	12.5
121.06517	1.8
121.10123	2.2
123.08072	25.7
125.06004	26.9
125.09604	5.0
128.06224	1.4
128.54434	1.0
129.06985	2.1
131.08560	1.8
133.10094	3.5
137.05978	1.4
137.08650	1.9
137.09624	29.7
139.07542	12.3
141.09111	22.9
143.08522	1.7
143.11813	2.1
147.07965	1.4
147.11638	1.8
149.09570	2.0
151.11128	2.1
153.09088	1.4
154.12251	3.7
155.10670	36.6
156.10934	1.1
161.13193	2.0
171.14836	3.2
177.12697	1.4
179.14230	1.7
180.36771	1.1
203.14410	1.9
221.11937	1.4
221.15341	8.1
232.67854	1.2
239.16350	42.3
240.13776	2.7
240.16573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05511	38.5
57.07075	28.4
59.05001	36.7
62.64462	8.6
67.05504	28.4
69.07058	45.0
70.92052	14.4
71.05010	17.7
79.05452	12.3
81.07072	96.0
83.08621	14.7
91.05484	11.4
93.07047	42.3
95.08612	100.0
97.10185	13.4
105.07060	22.0
107.04912	8.9
107.08591	51.4
109.10155	51.9
111.08134	10.6
119.08579	47.1
120.76358	7.7
121.10149	29.3
123.08081	10.4
123.11740	46.3
125.09616	14.1
133.10107	35.7
135.11685	59.6
136.54897	9.0
137.13248	81.2
139.11189	14.0
147.11707	30.3
153.12755	12.1
155.08589	12.4
157.03424	10.0
161.13396	9.3
163.14862	28.0
169.10135	25.6
183.11699	13.3
189.78874	9.0
203.17972	53.6
221.19023	59.8
239.08778	57.0
239.10893	9.0
239.17978	26.3
239.20105	16.6
240.09241	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.72707	2.0
53.03951	2.2
55.05513	37.8
57.03445	6.1
57.07084	22.9
59.05004	35.8
67.05511	24.5
69.03430	5.9
69.07074	40.5
69.07420	3.7
69.21074	1.9
69.36362	8.6
69.36770	3.3
71.04999	11.7
71.08627	4.7
73.06569	3.7
79.05496	18.2
79.46002	2.0
81.07061	88.7
83.04982	3.9
83.08619	19.8
85.06554	9.4
87.04469	3.1
91.05501	9.0
93.07047	38.0
93.07621	2.7
95.08608	100.0
96.08961	3.5
97.06541	13.3
97.10176	17.5
98.22618	3.9
99.08102	4.7
105.07019	18.0
107.08604	56.4
109.06553	5.6
109.10158	46.2
110.10526	2.7
111.08085	12.0
111.11714	10.1
113.09743	2.1
115.07591	4.5
117.07075	2.6
119.08597	25.5
121.10152	38.1
123.08053	4.9
123.11702	36.9
125.09649	13.5
127.07609	2.6
127.11169	2.7
131.08606	2.5
132.75734	2.1
133.10141	30.2
135.11696	35.1
137.09645	6.3
137.13260	84.1
139.11180	21.1
142.72412	1.9
143.10707	6.6
147.11690	23.2
148.24991	2.2
149.13280	14.6
151.11163	14.6
151.14880	3.0
153.12798	7.0
153.34386	2.0
157.12250	3.0
161.13290	14.6
163.14825	28.2
165.12785	8.2
171.60114	2.1
175.14890	4.4
177.16432	8.3
183.11766	1.9
193.19572	3.5
203.17953	56.5
204.18259	3.1
221.15637	2.7
221.19012	54.2
239.08875	2.8
239.17888	6.0
239.20047	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03949	4.0
55.01873	5.5
55.05513	26.0
57.03441	3.6
57.07082	23.3
59.05002	32.0
65.03932	3.3
65.06892	3.0
67.05508	29.8
69.03427	7.2
69.07069	42.0
69.12223	7.0
69.12634	21.9
71.04990	18.4
71.08636	7.0
79.05486	15.0
81.06580	5.9
81.07060	93.8
83.08617	22.3
85.06561	8.6
91.05489	12.1
93.07050	27.4
95.04967	6.8
95.08612	100.0
97.06545	16.9
97.10165	13.1
97.24195	3.0
98.22649	6.9
99.08105	8.8
105.07008	18.4
107.08611	35.8
109.06503	8.9
109.10160	48.3
111.08093	13.9
111.11726	12.5
115.07551	4.3
119.08589	25.3
120.65033	2.9
121.10130	32.5
123.08036	7.6
123.11710	36.5
125.09625	11.3
133.10132	25.3
135.11707	32.8
137.09648	4.0
137.13257	90.6
139.11166	22.3
143.10629	7.3
146.99579	2.9
147.11684	33.5
149.13232	17.6
150.13565	3.8
151.11188	10.0
153.12842	4.3
159.11739	3.2
161.13298	14.6
163.14813	33.0
165.06966	4.0
165.12741	4.5
167.07048	3.6
169.10115	6.0
175.14851	7.7
177.16429	8.1
193.19444	5.0
203.17960	58.0
221.18985	50.8
226.01787	5.1
239.08864	68.5
239.14142	3.2
239.17906	8.4
239.20021	35.3
240.09312	3.1
244.94362	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
55.05515	26.1
57.07080	100.0
59.04998	1.5
65.03948	2.0
67.05508	56.2
69.07070	25.8
69.07654	8.2
71.04996	1.3
71.08634	61.7
79.05514	5.9
81.07060	57.7
83.08623	29.3
83.09117	1.9
85.06530	3.1
85.10188	31.0
93.07039	4.4
95.08611	73.6
97.10175	14.1
98.23372	1.6
99.04456	7.1
99.08083	2.5
99.11723	1.2
105.07025	1.8
107.08595	1.4
109.10167	29.5
111.11684	1.1
118.35796	1.1
119.08573	1.8
123.11710	6.5
129.07033	1.9
137.09698	1.1
137.13249	2.1
141.06984	1.1
151.14778	1.2
155.08533	2.2
157.10173	1.6
169.10155	3.9
171.11697	2.1
183.11703	5.3
197.13237	3.5
219.23018	1.0
239.08849	14.3
239.10863	1.2
239.14233	2.1
239.18124	10.8
239.23705	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	240.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03140	0.2
54.98642	0.4
55.56667	0.2
56.96567	11.7
69.39163	1.5
69.46573	0.2
71.90768	0.2
71.95267	3.4
79.87051	0.2
98.97588	100.0
99.97907	0.5
109.34254	0.2
116.98627	45.5
117.98981	0.2
132.40883	0.2
134.99666	12.5
140.00183	0.7
142.77098	0.3
153.00700	0.9
156.63181	0.3
174.97632	0.3
179.75932	0.2
179.83963	0.2
216.98810	0.3
219.01994	0.6
221.87364	0.2
234.99831	0.9
240.98685	1.9
258.99777	22.9
259.99954	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.2
55.05524	0.3
56.96566	13.9
58.06601	9.2
59.51056	0.2
61.02898	0.2
69.03436	0.3
70.06598	2.0
70.98109	0.3
71.29575	0.2
71.29942	0.2
71.94879	0.3
71.95264	4.3
72.08141	0.3
78.52851	0.2
81.03412	0.4
84.08144	4.2
84.08617	0.3
85.02916	0.5
97.02888	0.4
98.09676	0.6
98.97585	100.0
99.97913	0.4
110.97579	0.2
116.98623	52.8
119.01881	0.4
126.05528	0.3
127.01579	0.2
128.10722	1.5
128.98573	0.4
134.99657	17.3
140.00183	0.6
144.10202	0.5
153.00677	1.2
156.96623	0.4
158.01309	0.3
168.10176	0.5
174.97664	1.1
192.98665	0.4
196.09674	2.8
198.97638	0.5
211.52844	0.4
213.15979	0.2
216.98619	1.1
219.01862	0.2
234.99651	1.2
240.98627	1.5
241.15468	43.7
242.15829	0.9
258.99771	22.2
259.06531	0.7
259.99884	1.0
260.08310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98646	0.4
56.96568	13.9
58.06601	9.0
61.02914	0.2
68.78919	0.2
69.03419	0.4
70.06587	1.4
71.29728	0.2
71.95267	3.6
72.08158	0.2
80.79990	0.1
81.03426	0.5
84.07628	0.2
84.08144	4.6
84.96069	0.2
85.02897	0.3
86.09711	0.4
97.02900	0.4
98.09675	0.8
98.97585	100.0
99.97974	0.5
100.11263	0.3
114.05509	0.2
116.98624	54.6
117.98962	0.3
119.01981	0.2
120.76826	0.2
127.04001	0.2
128.10724	1.9
131.00174	0.2
131.01981	0.2
134.99660	17.0
140.00197	0.7
144.10170	0.8
145.06305	0.2
153.00706	1.3
156.01897	0.2
156.96632	0.4
158.01279	0.5
158.08240	0.2
160.06526	0.2
161.02953	0.2
163.02809	0.2
168.10240	0.4
169.45364	0.2
174.97655	1.3
175.01076	0.1
192.98724	0.7
196.09711	2.7
198.97699	0.3
211.52890	0.2
213.15959	0.3
216.98615	1.2
217.99060	0.2
219.01930	0.3
232.06105	0.2
234.99774	0.9
240.98648	1.9
241.15465	46.2
242.07237	0.3
242.15686	1.0
258.99765	23.4
259.06268	0.8
259.56732	0.3
259.99893	1.2
260.08316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.20019	0.2
58.06602	19.0
59.45490	0.2
60.04511	0.2
63.70118	0.2
69.56322	0.9
70.06593	3.2
71.04989	0.2
72.08147	0.4
72.52449	0.2
76.02647	0.2
81.03419	0.6
84.08143	10.5
85.06535	0.3
97.02891	0.4
98.06086	0.4
98.09702	1.9
100.11245	0.5
104.10734	0.9
108.86990	0.2
114.05531	0.4
116.07086	0.3
126.05534	0.6
126.09134	0.3
128.10715	3.8
144.10193	1.7
152.10669	0.3
168.10208	1.2
196.09695	5.6
213.15936	0.5
237.17479	0.2
239.60181	0.2
241.15465	100.0
242.15804	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	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98650	0.2
56.96297	0.4
56.96567	6.5
57.14347	0.2
57.86333	0.2
58.06600	18.9
60.04525	0.4
62.27995	0.2
66.56452	0.2
70.06597	2.7
70.35255	0.2
70.35590	0.4
71.95263	2.2
72.08162	0.6
81.03417	0.6
84.04510	0.3
84.08143	10.5
84.96010	0.2
86.09697	0.3
87.43843	0.2
97.02927	0.2
98.06029	0.3
98.09698	1.9
98.97584	46.6
99.97900	0.5
100.11275	0.4
114.05569	0.4
116.07121	0.4
116.10764	0.2
116.98622	25.0
126.05528	0.3
128.10721	3.8
134.99661	8.0
140.00240	0.6
144.10158	1.2
152.10657	0.4
153.00708	0.9
168.10210	1.0
174.97690	0.6
196.09703	5.1
213.16035	0.4
216.98679	0.8
223.11607	0.2
234.99704	0.4
240.98697	0.9
241.15460	100.0
242.15776	2.8
258.99759	10.9
259.02634	0.3
259.99911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
57.03432	3.3
58.06601	13.3
58.42551	1.6
59.06937	3.9
60.04523	17.5
63.71315	1.6
70.06595	2.1
70.35160	2.0
70.35519	4.5
71.01360	2.8
71.06911	2.1
72.90428	1.5
83.06090	5.2
84.08142	6.3
85.02906	1.8
85.08492	2.8
97.88375	1.6
101.02385	4.6
101.20862	1.4
102.31159	1.6
110.07147	1.9
115.03938	7.0
123.04470	1.8
123.10635	1.5
129.01830	7.4
137.17316	1.4
143.03412	4.8
157.01349	8.7
161.04433	5.2
189.03925	18.7
197.10060	4.8
204.41582	1.6
241.15616	1.6
242.10391	2.8
242.15808	100.0
243.15947	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	12.0
60.04523	40.5
62.07180	2.0
70.06578	3.3
70.19780	4.3
70.20116	3.3
71.41763	1.9
72.08161	2.8
81.03419	6.0
82.06577	4.2
83.04987	3.0
83.06099	2.6
84.04498	2.7
84.08122	5.0
85.02895	2.7
86.09700	9.1
91.05492	10.0
95.04967	3.2
98.22726	3.2
98.97600	8.6
103.05471	28.0
116.98618	9.8
117.07022	10.6
119.04954	5.1
121.23170	2.1
122.03663	3.9
128.06213	11.9
129.07011	57.7
131.04922	40.7
134.99663	5.3
137.05974	100.0
144.05605	2.2
145.06491	12.8
147.08116	3.0
154.08698	1.9
155.07030	3.0
157.06491	62.0
158.07118	3.5
161.05989	4.6
161.09534	2.6
162.05542	3.0
162.06793	5.0
163.07547	62.1
174.06766	12.8
174.49196	2.0
177.09093	18.5
181.05029	2.7
189.09106	97.9
192.03256	2.7
196.09756	2.9
206.11734	6.3
207.06586	3.0
207.10172	14.9
217.00195	2.8
224.09447	2.9
224.12788	4.3
242.10136	7.9
242.13818	18.3
242.24699	3.1
259.99963	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.99237	1.3
53.03962	3.5
55.01882	1.6
55.05504	1.7
55.06229	1.1
56.96584	3.9
61.02932	10.6
65.03949	9.7
65.32391	1.2
67.05515	7.8
69.03444	5.7
69.07076	3.6
70.06603	1.9
70.65501	3.3
71.04995	1.5
72.08170	2.0
79.05502	7.0
81.03381	1.6
81.07057	8.3
82.04188	1.9
83.05006	4.1
84.04538	4.3
84.08147	15.2
85.02912	7.0
86.09711	10.0
87.04488	1.4
91.05476	17.1
93.03449	2.1
93.07047	2.3
94.04237	2.4
95.04980	14.9
95.08614	2.2
97.02937	4.3
97.06577	4.2
98.97610	8.1
99.04437	1.2
103.05511	1.4
105.03428	2.6
105.07053	2.5
107.04961	8.9
108.02125	1.4
109.02842	1.4
109.06521	14.6
109.10206	1.3
110.03666	3.0
111.04475	3.6
116.98665	5.0
119.01967	1.2
119.04963	5.4
119.08590	1.5
121.06519	2.1
121.10133	1.6
121.95544	1.3
123.04426	15.8
123.08153	1.8
125.02316	7.7
125.06033	4.2
128.06340	1.7
133.02847	11.6
134.99696	3.5
135.04475	4.3
137.05988	22.1
137.20476	1.2
138.03140	2.7
140.04691	100.0
142.02640	2.8
145.06555	1.5
147.04469	5.6
149.05956	1.5
151.07552	2.1
152.04738	2.6
153.05461	2.5
155.07036	70.8
158.06020	2.0
163.03929	3.6
165.01860	1.4
165.05486	18.0
165.06648	1.7
171.06584	4.2
173.08173	5.3
179.07011	10.2
180.04193	15.3
181.04964	68.7
183.06564	3.1
184.03731	2.3
184.05234	1.5
193.04987	23.0
195.06532	12.4
197.06067	5.5
197.08145	9.6
201.05559	1.5
207.06528	25.2
225.05479	1.7
225.07516	16.0
243.06541	2.8
243.08682	11.1
243.13795	3.4
243.17406	2.1
244.09985	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02383	1.3
53.03944	3.2
56.96565	1.9
57.03454	1.8
61.02932	11.3
61.30722	1.0
65.03949	9.8
67.05505	4.1
69.03438	1.4
70.06593	3.4
70.81673	2.1
70.82005	1.2
72.08158	1.8
77.03937	1.1
78.04693	1.0
78.26513	1.0
79.05499	10.6
81.03423	2.1
81.07056	6.5
82.04207	3.9
84.04531	2.5
84.08146	6.0
85.02896	5.2
86.09702	5.2
87.05203	1.0
91.05480	17.3
92.02634	1.3
93.03416	4.1
94.04206	4.0
95.04968	22.6
97.02919	1.6
97.06532	2.0
98.97595	2.4
103.05484	1.3
105.03384	5.6
105.04516	1.7
105.07026	2.3
107.04964	9.3
107.72137	1.0
108.02120	1.9
108.60427	0.9
109.06524	29.0
110.03655	4.8
111.04437	3.8
116.98627	2.5
118.04159	1.2
119.04929	6.5
121.06519	2.0
122.03652	1.4
122.38039	1.0
123.04432	14.8
125.02362	8.9
125.06023	5.8
126.34812	1.1
129.06915	1.1
133.02844	14.2
135.04451	6.6
136.05176	1.7
137.02350	1.9
137.05983	28.2
137.07043	1.8
138.03152	3.6
140.04689	100.0
141.05251	2.3
142.02646	1.2
146.03659	3.2
147.04437	4.7
148.01614	1.6
148.05165	1.3
149.02296	1.9
149.06033	1.3
151.03905	1.9
151.07565	4.0
152.04720	1.2
153.05420	5.3
155.07037	77.8
163.03928	4.2
165.01865	1.9
165.05492	18.7
165.06844	2.2
165.10316	1.5
167.07062	1.8
169.04988	2.8
171.06496	9.1
173.08101	5.9
179.03424	1.2
179.07034	18.6
180.04185	15.8
181.04962	84.3
182.05414	1.6
183.06551	5.1
184.03777	1.1
192.04242	2.6
193.04958	23.1
193.06595	1.7
195.06526	14.0
197.08095	19.1
207.06538	44.3
219.01772	1.6
225.07573	21.7
225.09703	1.4
243.08540	10.2
243.13530	1.3
243.17870	1.2
260.95996	1.3
261.02823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03943	3.0
55.01868	1.7
57.03423	2.0
61.02701	0.8
61.02935	9.4
65.03947	9.7
67.05516	4.9
69.03419	2.6
69.07049	1.5
70.06594	2.3
70.28791	1.6
70.29121	1.6
72.08159	1.1
79.05501	6.7
81.07065	5.1
82.04195	2.6
84.04497	2.1
84.08144	4.9
85.02913	5.7
86.09705	5.1
90.86106	0.8
91.05481	17.6
93.03409	1.4
93.07066	0.8
93.93980	0.8
94.04176	1.2
95.04976	14.3
96.10207	0.7
97.02917	1.9
97.06530	3.2
98.97573	2.5
103.05475	1.6
105.03390	3.7
105.04539	1.0
105.07028	1.2
107.04945	8.1
108.02096	0.9
109.06526	15.1
110.03661	4.3
111.04432	3.7
116.98635	2.4
119.04942	6.1
122.03654	1.1
123.04435	19.0
125.02375	7.1
125.05989	4.4
127.03919	1.1
133.02861	12.1
135.04399	3.7
136.05157	1.2
137.05977	21.5
138.03110	2.3
139.03958	1.1
140.04688	100.0
141.07108	1.0
142.02573	2.4
143.57188	0.8
146.03612	1.4
147.04399	6.4
147.08051	0.8
151.03937	1.3
151.07542	1.0
152.04666	2.0
153.05466	2.4
154.06390	1.0
155.07037	72.8
156.07414	0.8
163.03951	4.4
165.01880	2.0
165.05495	15.5
167.07033	1.4
169.04999	2.2
171.06529	2.7
173.08121	5.9
179.07010	10.1
180.04167	15.7
181.04956	66.5
182.05583	0.8
183.06573	2.9
183.08066	0.9
184.03738	1.5
192.04271	1.0
193.04974	22.1
195.06548	10.6
196.07236	0.9
197.06218	1.6
197.08112	7.8
197.12895	1.2
207.06520	25.8
225.07561	13.1
225.09671	1.1
243.08539	9.7
243.10698	1.5
243.13387	1.7
243.17828	1.4
250.34163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1379
Annotation	4,4'-(2-Methylpropylidene)bisphenol
Peak:m/z	Relative Intensity
53.03930	2.2
55.01873	9.4
55.05515	8.1
57.03422	1.4
65.03925	2.0
67.05503	11.6
69.03430	17.8
69.07063	4.8
69.32556	8.4
70.06582	1.4
71.04998	8.9
79.05489	11.5
81.03430	5.9
81.07061	11.3
83.04964	5.0
83.08619	1.7
85.06549	2.6
91.05482	21.6
93.03361	1.6
93.07042	8.2
95.04971	9.3
95.08614	6.3
97.06522	3.1
103.05454	2.6
105.07027	12.2
107.04929	4.1
107.08579	4.4
109.02845	1.7
109.06521	2.6
109.10153	2.2
111.04417	3.2
111.08073	5.6
113.06004	1.2
115.05470	6.7
116.06206	2.6
117.07021	11.1
119.04948	3.4
119.08572	7.1
121.02882	1.6
121.06494	6.3
121.10131	2.7
123.08057	4.8
125.09656	2.6
128.06221	8.1
129.06996	17.8
130.06525	2.9
130.07664	1.3
131.04927	12.3
131.08568	15.6
133.06512	3.2
133.10129	3.4
135.04399	3.5
135.08073	3.3
135.24350	1.4
141.05847	2.3
141.06995	14.9
142.07777	3.9
143.07297	4.7
143.08548	11.2
144.05698	5.6
144.09238	1.8
145.06497	24.1
145.10107	11.1
147.08037	5.0
147.11630	1.8
149.09613	1.6
153.06955	6.8
154.07782	5.0
155.08559	22.9
156.06912	2.1
156.08095	5.8
156.09335	4.3
157.06512	7.2
157.07579	1.6
157.10130	5.8
158.07256	3.4
159.08047	16.0
159.11667	3.5
160.08760	1.5
161.06071	3.2
161.09586	4.0
165.06979	4.4
166.07800	1.8
167.08542	6.9
168.05643	1.9
168.09300	3.6
169.06476	14.6
169.10130	12.3
170.07283	2.1
171.08041	9.5
171.11736	2.7
172.08850	1.8
173.09613	12.9
173.13237	2.6
175.07613	1.4
179.08524	3.1
181.06421	3.3
181.10132	4.7
182.07236	1.8
182.10936	4.3
183.08069	24.9
183.11610	4.2
184.08803	5.4
185.07127	1.8
185.09621	4.4
185.13307	1.6
187.07526	5.1
187.11046	3.3
187.14812	2.5
192.09357	3.0
195.08087	3.1
196.08800	3.0
197.09694	12.2
197.11436	3.0
197.13159	9.9
199.11192	16.0
200.09578	2.7
200.11928	1.4
201.09052	10.2
201.12721	3.0
207.11624	2.8
210.10373	2.9
213.12762	1.3
215.14284	8.9
220.70801	1.4
225.09348	1.5
225.12746	23.0
243.06580	8.3
243.10042	3.0
243.13794	100.0
243.17320	8.5
243.20972	5.9
244.08363	2.9
244.13988	1.6
244.22842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
55.01875	2.9
55.05518	8.8
57.03443	2.9
57.07081	2.2
57.16477	1.4
57.75056	1.2
61.66707	1.1
67.05510	27.6
67.05876	1.6
69.03426	2.3
69.07082	4.6
71.04989	11.5
79.05501	11.7
81.07063	37.1
83.04993	5.2
83.08642	2.3
85.02870	1.3
85.06545	22.0
86.09699	2.5
89.16720	1.3
91.05478	9.9
93.07050	16.6
95.04966	4.4
95.08612	42.0
97.06552	7.1
97.10245	1.4
99.08104	3.7
101.06017	1.2
105.07031	25.1
107.08603	12.7
109.06540	6.4
109.10163	2.2
111.08076	6.8
113.09656	20.7
119.08579	15.0
121.06512	1.4
121.10166	9.3
123.07178	3.1
123.08076	55.7
123.11716	12.0
125.09662	3.7
131.08617	1.4
133.10172	3.2
137.13292	3.0
139.11139	1.6
140.04680	3.2
141.05496	1.5
141.09128	9.4
145.10156	2.4
147.11688	25.3
155.79477	1.4
157.10196	1.2
159.11697	1.7
161.09650	1.7
161.13269	3.2
165.12764	100.0
166.13135	3.2
169.04977	4.8
181.05043	1.5
183.13809	15.6
189.12808	3.0
195.98419	1.3
197.04468	2.0
197.13472	1.5
207.13802	11.0
212.46204	1.2
225.11356	1.3
225.14931	6.0
243.10170	2.9
243.13832	1.9
243.15804	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	244.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61370	7.1
55.05513	40.7
57.07081	13.6
65.86561	6.8
67.05512	40.6
69.07075	50.6
71.04976	14.4
71.08601	7.6
71.32117	7.1
71.32561	8.5
76.94044	8.2
79.05484	27.1
81.07065	100.0
83.04956	15.6
83.08632	51.6
91.05477	33.3
93.07043	46.7
95.08613	70.4
97.06539	26.1
97.10186	39.0
102.72894	9.0
103.30286	7.0
105.07030	24.6
107.08594	46.6
109.10181	18.9
111.08086	25.3
117.07008	8.2
119.08582	11.4
121.10159	37.5
123.11649	14.4
125.63365	7.7
131.08536	19.3
133.10144	54.6
149.13257	23.5
163.14812	39.4
173.13292	31.5
181.15883	22.1
191.14357	16.5
209.15422	47.3
226.18034	18.7
227.16383	15.4
227.70798	7.9
244.21411	15.1
245.22763	17.2
249.65999	8.7
263.12000	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	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	39.0
58.06607	13.5
69.14169	8.3
70.06596	29.8
71.29561	17.6
71.29925	10.4
72.08154	21.2
72.88219	9.1
76.72720	7.9
82.99854	10.8
84.08143	30.5
94.93047	19.1
98.97601	40.2
100.07603	22.2
101.00887	66.5
104.10753	71.5
109.81625	8.0
116.30032	8.1
116.98634	16.5
119.01937	100.0
131.01907	29.9
132.82150	7.3
137.00864	8.8
137.02917	9.0
139.08664	8.3
142.96577	9.6
143.01927	25.5
145.03497	30.9
153.74361	8.1
155.01901	42.6
157.03497	24.6
161.02945	45.4
167.01865	9.5
173.02936	49.7
185.02962	87.2
188.84142	8.5
188.97069	20.0
197.02992	35.6
203.04008	20.8
215.04073	11.2
221.05077	14.1
245.05008	65.6
245.15005	9.7
246.18123	11.2
267.72910	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	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51583	0.2
50.51818	0.2
55.01859	0.3
56.05028	0.2
58.74359	0.2
69.07069	1.2
70.06594	0.9
70.81963	0.4
72.08171	0.2
84.08157	0.5
85.02908	1.7
85.12601	0.2
86.09710	100.0
87.10036	1.0
90.91615	0.2
91.05495	0.4
111.04455	0.3
115.05459	0.3
115.74451	0.2
116.17239	0.2
117.05515	0.3
128.06239	0.3
129.07031	0.3
132.10211	5.2
143.04985	0.2
155.01666	0.4
157.06516	0.3
158.95334	0.2
185.05920	0.4
187.09698	0.2
199.18068	2.6
201.05569	0.2
205.17241	0.2
217.08673	0.2
220.02678	0.2
227.07034	0.3
245.04501	0.6
245.08189	0.7
245.18626	3.2
268.37350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
50.43799	0.2
55.01868	0.4
55.05506	0.6
56.05031	0.4
57.05817	0.4
58.06586	0.5
67.05507	0.4
69.03408	0.3
69.07073	12.6
70.06577	0.2
70.07407	0.2
71.04980	0.2
79.05534	0.2
81.03423	0.4
81.07066	0.4
83.04993	0.9
85.02915	1.1
86.06070	0.4
86.09709	100.0
87.10058	1.0
90.60569	0.2
91.05489	3.7
93.07056	0.2
96.19527	0.2
104.45971	0.2
105.07030	0.4
111.96085	0.2
115.05508	0.3
117.07008	0.3
119.08612	0.5
121.06514	0.2
124.07652	0.2
128.06276	0.4
129.07031	0.7
132.10223	1.8
133.10103	0.2
135.04501	0.2
137.36217	0.2
142.07765	0.2
143.08568	0.5
149.06013	0.4
152.03139	0.2
157.06505	0.6
157.10158	0.5
161.09587	0.2
167.03374	0.4
171.11575	0.2
175.07559	0.3
185.05966	0.4
189.09145	0.3
199.18077	0.5
203.06975	0.3
203.10837	0.2
213.05518	0.2
217.08617	0.4
227.07083	0.4
245.07985	1.2
245.11761	0.3
245.13455	0.3
245.15436	0.6
245.18645	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	245.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75007	0.2
58.97235	0.2
69.07070	1.2
70.06593	0.5
70.18041	0.2
70.18374	0.5
75.04481	0.6
85.06492	0.2
86.09707	100.0
87.10036	1.0
99.04449	0.5
105.05511	2.4
115.03886	0.2
129.07039	0.2
132.10216	3.1
157.04999	0.7
157.06557	0.3
171.02913	0.5
186.05382	0.4
199.18039	1.2
213.04051	0.3
217.07056	1.9
245.06287	0.4
245.11838	0.3
245.18622	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82746	1.7
54.75067	1.8
55.05524	13.9
57.07066	5.3
67.05235	1.7
67.05505	19.1
69.07072	19.3
71.32376	2.8
79.05493	12.0
81.07053	44.7
83.08620	7.5
91.05474	11.0
92.84006	1.9
93.07039	30.3
95.08604	53.6
97.10161	7.2
105.07014	20.5
105.93521	2.0
107.08598	44.4
109.10157	34.6
111.11730	2.3
115.56049	1.9
119.08575	23.0
121.10146	39.0
123.11724	24.1
133.10153	17.3
135.11685	30.7
137.13275	11.0
143.08566	2.4
145.10069	4.7
147.11697	11.8
149.13254	32.2
157.10139	2.6
161.13268	18.4
163.14804	10.7
171.11794	2.2
175.14810	19.0
185.13268	2.5
187.14827	3.6
189.16388	23.0
203.17929	3.5
216.49138	1.8
227.17990	5.1
245.19125	12.4
245.22653	100.0
246.22948	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	246.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28239	2.1
55.05511	5.8
56.05029	2.5
56.96564	32.7
57.03436	2.9
58.06602	9.8
60.05654	6.3
60.08158	2.7
61.02923	4.3
67.05512	5.0
69.03444	13.9
69.07069	6.8
69.29899	2.2
70.06593	28.9
70.12666	5.9
70.16608	2.2
71.95252	2.5
72.08153	28.8
73.02917	4.2
81.03418	11.4
81.07066	2.7
82.06596	2.1
83.04977	3.8
84.04502	6.8
84.08144	56.8
85.02912	27.5
85.06565	15.4
86.09712	10.1
87.05589	8.2
91.05486	2.5
93.07074	3.5
95.05002	2.7
97.02903	7.9
97.06494	3.8
98.38902	2.0
98.97576	26.8
99.04453	6.6
100.07615	31.1
101.10817	2.3
102.96895	6.0
105.07019	3.1
109.06577	3.0
110.02414	4.4
110.97598	5.4
111.58700	2.0
113.10787	4.0
114.05514	7.9
115.08693	3.8
116.07097	7.3
116.98640	19.0
117.05481	7.3
117.10271	18.1
117.97985	6.5
118.08662	7.8
119.01934	3.4
120.02086	2.2
120.97918	3.7
121.06541	5.6
121.93862	2.2
124.63424	2.5
127.03927	7.5
128.07114	3.7
128.98619	8.7
129.10251	12.2
130.08647	9.7
134.99652	7.0
138.98950	3.5
141.10202	5.9
143.08241	2.0
145.04965	6.4
146.03716	2.3
146.99649	7.9
147.11258	12.4
156.03323	64.9
158.08147	3.6
158.09358	4.0
162.03026	2.6
166.08638	7.1
168.03348	13.0
174.00671	9.4
174.02954	4.4
174.04399	71.0
175.11955	9.1
177.00784	3.2
186.04388	100.0
187.10793	7.1
188.09207	2.6
192.01772	5.3
192.05435	13.7
200.09146	3.3
200.14037	3.0
204.01616	3.3
204.05463	87.2
205.00192	2.6
209.06047	2.8
212.09216	9.0
218.10309	6.1
223.01210	3.0
228.05432	53.4
228.12314	2.5
229.13142	2.5
229.15410	4.1
232.96231	2.2
246.02943	2.7
246.06543	41.5
246.09644	7.1
246.13383	6.5
246.15617	20.3
246.18210	44.6
247.04512	2.6
263.99362	2.8
264.03464	3.5
269.08051	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	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.7
55.05507	1.3
56.96564	100.0
57.03435	1.0
58.06597	1.0
60.95834	1.0
61.02961	0.7
65.09622	0.6
67.05492	1.1
69.03438	2.3
69.07066	0.8
69.22967	0.6
70.06609	1.8
70.98122	49.6
71.05015	1.1
71.29674	0.6
71.95261	1.4
72.08167	2.0
73.02982	0.8
74.97610	6.0
80.00175	0.8
81.03450	0.8
84.04488	0.8
84.08153	4.1
84.96033	6.3
85.02915	4.0
85.06560	1.7
86.09719	2.0
86.97141	0.7
86.97573	3.7
88.99160	27.9
95.05022	0.9
97.02918	2.2
98.97583	25.2
100.07636	3.4
100.81113	0.7
100.99167	5.6
101.00894	2.8
102.96859	4.3
103.00661	1.0
104.99270	0.8
105.07053	0.8
107.00198	6.0
110.97578	6.9
112.95534	2.1
112.99105	0.9
115.00685	1.4
116.98618	15.3
117.10279	1.8
119.00180	3.6
119.01903	4.7
120.97934	3.2
121.01684	3.8
123.00138	0.9
125.01158	0.9
126.97072	1.9
127.03996	0.8
128.98605	25.1
128.99529	1.4
130.08681	0.8
130.96562	3.1
133.01680	4.2
134.99654	5.7
137.02911	1.2
138.98941	1.0
143.00166	1.1
144.98091	26.6
145.01662	1.6
145.03505	0.8
145.04933	0.9
146.99654	48.4
147.03267	1.1
147.11421	1.5
148.97621	2.8
149.01193	1.3
151.02692	0.9
156.98122	1.6
158.99747	2.9
159.03253	1.2
161.01297	2.6
161.03023	2.3
162.99147	24.9
163.02769	3.2
165.00717	46.2
166.98613	0.8
167.91864	0.8
170.01288	0.9
173.06007	0.8
174.97826	1.1
174.99213	3.3
177.00836	4.3
177.04358	1.6
179.02470	1.1
181.00238	8.2
183.01796	4.3
186.99214	4.1
187.00838	1.5
187.04581	1.0
188.02374	1.2
189.04547	0.7
190.95518	1.2
190.98778	0.8
193.00154	1.0
194.94820	1.1
203.02521	1.0
205.00198	42.7
205.03778	1.8
214.02353	0.7
215.00407	1.0
223.01262	58.7
228.01842	1.4
229.03293	0.9
241.02267	5.4
246.18318	2.1
246.97977	1.9
247.01868	5.0
247.04280	5.8
247.10709	1.3
247.18697	2.0
264.95358	1.4
264.99045	2.2
265.02771	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	247.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96630	1.2
60.66539	0.3
60.95619	0.4
60.95917	1.1
62.09452	0.2
63.94546	0.4
69.04589	2.2
81.68159	0.2
84.96137	0.8
84.99669	0.3
86.60717	0.2
98.97581	4.6
101.00974	1.0
102.96864	4.7
103.00650	3.3
116.98620	4.4
119.01922	3.0
120.02058	0.7
120.97901	4.7
121.01666	14.0
122.02063	0.4
123.02155	0.6
126.97364	0.4
128.98671	0.4
133.01714	0.5
134.99675	2.6
136.36789	0.3
137.03011	1.0
138.03206	0.3
138.98891	3.0
139.02676	3.6
144.98369	0.5
145.01711	0.7
146.99728	0.3
147.03273	0.4
147.04422	0.4
149.01349	0.3
153.00897	0.4
157.00171	0.5
158.99867	1.3
159.03236	0.6
160.00034	0.4
160.99667	0.5
161.03021	0.6
162.99342	2.2
163.02657	1.8
177.00951	19.3
178.01091	1.5
179.00708	4.3
179.02467	0.3
180.00795	2.8
181.00424	24.9
182.01108	0.3
185.01431	0.5
186.99377	0.5
187.02762	0.5
190.98723	0.3
195.01994	0.3
197.03619	0.6
203.00797	0.4
203.02516	9.7
204.02594	0.9
205.00418	2.6
205.03731	0.3
210.99471	0.7
219.02011	4.0
219.03857	0.5
220.02077	0.3
221.01756	2.2
221.03691	3.0
222.01982	1.6
223.01520	27.2
224.01904	0.5
229.00401	5.4
238.00160	0.3
247.01495	51.3
248.01619	3.6
261.03049	0.4
263.02814	2.4
265.02649	100.0
266.03036	2.5
267.03183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73828	1.5
53.03935	1.5
55.01869	2.5
55.05516	12.2
56.05027	5.8
56.96564	4.0
57.03426	2.9
58.06591	4.5
60.05644	2.9
60.08152	1.8
61.01168	1.8
64.57940	1.2
69.03424	7.9
69.07036	1.7
70.06596	18.9
71.04986	1.8
71.06930	3.1
71.41415	1.8
72.08157	87.8
73.02915	1.4
73.08482	4.7
74.06068	1.5
79.05510	1.4
81.03410	3.7
82.99855	2.2
83.04985	2.2
84.04502	15.3
84.08146	38.2
84.99585	1.3
85.02903	21.1
85.04808	1.7
85.08462	6.6
86.09210	2.4
86.09707	38.7
87.10060	1.9
91.36240	1.5
95.04959	3.2
97.02872	5.3
98.15790	1.3
98.97596	1.6
98.98452	7.8
99.04451	3.5
100.07619	14.8
101.00869	9.0
101.07965	2.7
102.05542	2.0
103.00642	11.6
104.05303	4.1
104.10725	5.6
109.02878	2.4
109.62191	1.4
111.04411	1.5
113.00849	1.4
116.07081	7.6
117.10270	9.8
118.08659	12.5
119.01916	15.4
120.01994	1.4
121.01665	19.4
121.02445	2.1
127.03905	5.7
129.10242	6.9
129.11090	1.3
130.04993	6.6
130.08652	8.7
131.01898	2.2
131.08978	1.5
133.01653	3.9
139.02760	1.6
139.03896	2.0
145.01634	3.5
145.03470	7.3
145.04968	2.5
147.03189	3.9
147.07620	3.0
147.11310	7.7
148.06049	13.7
148.11691	2.6
151.03883	2.3
155.01976	1.8
157.01640	4.5
157.03493	1.7
159.03189	2.5
161.02950	3.5
163.02696	4.5
163.04601	2.0
169.01631	1.8
171.01387	2.0
173.02965	4.0
175.02742	4.6
175.11920	1.9
176.12318	1.7
183.11349	1.9
184.09712	2.5
187.01009	2.6
187.02649	12.7
193.00211	2.0
199.02679	6.7
201.25832	1.3
205.03836	3.4
215.00340	2.4
217.01909	3.0
217.03755	1.7
229.01080	2.7
229.03198	34.2
235.02971	1.4
246.15770	2.2
246.18106	12.6
247.04257	100.0
247.12984	4.1
247.16013	7.4
247.18454	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	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
55.12480	0.8
56.05032	1.9
57.03446	1.3
57.34668	1.1
58.06618	1.1
69.03424	2.4
70.06569	4.0
70.34499	2.1
70.34875	2.0
72.08154	29.0
84.04489	3.9
84.08137	8.3
85.02892	4.4
85.08487	1.3
86.09692	4.5
96.43573	0.9
97.25416	0.9
98.98469	3.8
100.07602	3.5
101.00854	1.2
102.05528	1.2
103.00605	0.8
111.85123	1.0
114.47073	0.9
115.49700	1.0
117.10256	1.7
119.01917	2.4
121.01628	2.0
127.03902	1.9
129.10283	2.4
130.04968	2.1
130.08638	2.3
145.04984	1.3
147.11285	1.9
148.06079	6.5
158.98242	0.9
167.03091	1.2
187.02359	1.4
229.03191	31.1
246.18069	2.0
247.04257	100.0
247.16022	1.7
247.18480	2.1
248.04704	2.2
269.04068	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
54.47320	1.2
55.01871	6.5
55.05513	4.6
55.15795	1.5
56.96566	22.1
57.03432	10.2
57.07083	4.5
59.05006	2.3
59.45855	1.4
60.78715	1.2
61.02925	13.1
64.62196	1.6
65.03946	2.7
67.05507	11.0
68.04514	1.3
69.03430	46.0
69.07077	3.9
69.31322	1.4
70.12460	3.0
70.98128	5.5
71.01347	1.4
71.04996	5.7
71.36997	1.2
71.68851	1.1
72.08157	6.1
73.02921	8.0
73.91642	1.2
77.44908	1.2
79.05497	6.5
81.03423	17.4
81.07053	6.4
81.08032	1.2
83.04971	8.4
84.04533	5.0
84.08134	1.2
84.96043	2.9
85.02906	100.0
85.06544	62.0
86.09727	2.9
87.04480	3.8
88.99121	2.4
91.03958	6.5
91.04993	1.8
91.05482	10.3
93.07053	9.4
95.04981	9.5
95.08617	4.1
97.02901	25.5
97.06518	7.6
98.22636	2.1
98.97584	17.8
98.98194	1.8
99.04461	10.2
100.07629	1.7
100.99130	1.4
101.02383	1.7
102.96888	3.6
103.00710	1.4
103.03922	3.9
105.07037	8.0
107.04980	4.0
107.08601	2.7
109.02882	5.4
109.06526	7.3
110.97595	2.5
111.04445	2.1
111.08087	1.7
113.06020	3.9
115.03965	1.9
115.05497	1.3
116.98616	8.9
117.07024	1.6
118.08650	3.7
119.00185	2.1
119.08595	4.8
120.97914	2.2
121.01711	1.6
121.06519	4.7
123.04424	3.0
123.08055	6.0
125.06020	3.6
127.03922	25.6
128.98608	4.0
129.07068	1.5
130.04961	1.8
131.00249	1.4
133.06522	3.0
134.99666	3.4
135.08073	5.1
139.67436	1.2
144.98114	4.8
145.01665	1.3
145.04971	21.6
146.99661	4.0
147.03296	1.7
147.08047	5.2
149.05959	2.6
151.07576	3.9
155.04764	1.4
158.99701	1.7
161.02922	1.5
161.04665	1.5
162.99171	6.0
163.06175	2.7
163.07574	6.9
165.00723	2.2
174.99211	2.4
175.02803	1.3
175.07524	2.6
177.00714	3.2
178.13205	1.2
184.09732	2.0
193.08630	2.3
199.03036	1.6
205.00256	8.2
211.09627	1.8
213.33644	1.4
223.01324	11.0
223.04832	1.9
229.10625	1.5
247.04416	4.8
247.10583	1.3
247.13405	1.6
264.99036	1.4
265.02350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03945	3.4
55.01846	1.7
55.05519	7.2
57.07070	3.3
65.03929	2.8
67.05513	7.3
69.03432	22.3
69.07057	4.6
70.56892	2.5
70.57254	3.4
73.89098	1.6
79.05503	11.1
81.07072	11.5
83.04990	20.8
91.05484	16.6
93.03407	4.5
93.07051	13.8
95.04955	4.3
95.08601	6.3
96.77629	1.5
97.02883	10.9
98.23325	1.7
99.04458	1.8
103.05508	1.8
105.07040	18.1
107.04900	2.2
107.08577	14.7
109.02870	8.6
109.06521	11.3
109.10159	6.4
111.04446	4.6
115.05444	5.4
117.07005	11.6
119.08592	16.4
121.02877	3.3
121.06502	12.9
121.10139	5.7
123.08115	2.0
128.06189	5.3
129.06981	6.1
131.08572	17.1
132.05722	3.0
133.06488	2.1
133.10127	8.9
135.08060	28.3
135.11687	2.7
137.05974	5.8
137.09631	3.2
142.07698	1.6
143.08557	11.4
144.09346	7.5
145.06487	16.3
145.10109	12.3
147.08009	4.1
149.09625	22.4
150.10368	3.1
151.07587	2.0
151.11183	3.8
153.06992	2.2
153.09065	1.8
155.08549	5.9
157.10149	3.8
158.07280	2.8
158.10883	7.7
159.08052	13.5
159.11694	23.9
160.08815	7.0
161.09576	4.6
161.13188	2.0
163.07553	19.4
163.11139	3.3
165.09090	2.8
168.09393	3.9
169.10130	3.8
170.10904	6.1
171.08078	10.6
172.08839	19.0
173.06000	2.4
173.09644	32.6
173.11897	2.1
173.13266	30.1
175.07491	2.1
181.06570	2.1
183.11693	11.5
185.09653	1.9
185.13303	2.2
186.10394	25.5
187.11183	100.0
188.11655	2.5
189.09093	3.3
191.07040	54.0
196.08931	7.4
201.12740	53.0
201.16292	7.7
203.06911	2.4
203.14333	3.3
205.12219	4.6
211.11276	10.2
214.09776	1.9
219.13847	7.6
229.12254	67.6
244.06664	1.7
247.09621	6.2
247.13293	89.3
247.17043	4.5
248.13503	3.3
248.97214	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.02377	1.9
53.03931	7.0
55.01870	9.8
55.05510	17.6
57.03424	3.8
57.07056	3.0
59.05000	1.5
65.03946	7.9
67.05502	34.6
69.03427	42.7
69.07047	6.2
71.04990	9.2
71.29826	1.2
72.08134	4.4
77.03922	2.6
79.05495	25.4
81.03403	6.6
81.07060	14.7
83.01311	1.5
83.04980	22.0
83.08606	3.0
85.02901	11.8
85.06518	3.6
86.09714	9.6
91.05479	45.0
93.03364	1.6
93.06483	1.8
93.07048	33.0
95.01275	1.6
95.04968	51.7
95.08599	19.0
97.02898	9.2
97.06551	9.4
99.04412	4.5
103.05460	6.2
105.04496	1.6
105.07032	90.3
107.04927	7.0
107.08597	19.8
109.02858	6.2
109.06519	34.0
109.10136	5.2
109.88495	1.5
111.04458	12.6
111.08092	3.0
113.02256	1.6
113.05957	2.6
115.05435	9.8
116.06249	3.2
117.07026	15.8
119.04902	4.5
119.08579	58.6
120.08108	10.3
121.06506	32.7
121.10165	9.8
123.04395	6.2
123.08068	42.9
124.07520	1.9
125.02376	3.4
125.05952	4.3
125.09641	3.0
127.03908	1.9
128.06213	12.4
129.07008	23.6
130.07785	8.5
131.04922	5.0
131.07562	2.0
131.08568	39.8
133.06505	16.9
133.10135	17.4
135.04390	2.8
135.08044	19.5
136.51979	1.5
137.05959	4.9
137.09583	6.3
139.07430	2.0
141.06981	17.2
142.07776	24.7
143.08554	24.2
144.05659	6.2
144.09344	10.3
145.06508	20.1
145.10124	33.8
146.07227	7.0
147.04437	2.4
147.08049	28.0
147.11671	12.5
148.08813	5.1
149.05911	4.6
149.09615	12.9
151.07544	7.8
153.06937	6.5
154.07727	4.2
155.08548	14.3
156.09326	18.5
157.06462	7.9
157.08910	2.7
157.10127	35.6
158.07289	14.1
158.10854	5.8
159.08051	36.7
159.11690	32.0
160.08832	7.1
161.05983	6.4
161.09607	18.6
161.13271	2.7
163.07504	5.2
163.11197	2.8
165.09125	20.3
166.07787	2.2
167.08514	1.7
168.09346	11.4
169.06458	3.7
169.10071	6.0
170.10934	2.6
171.08061	8.2
171.11697	15.9
172.05171	1.6
172.08833	23.4
173.05847	3.2
173.09608	24.6
173.12093	1.8
173.13283	19.1
174.06664	2.3
174.10178	2.1
175.07483	9.6
175.11182	26.5
177.09088	4.1
177.12686	2.0
178.07813	1.8
181.06438	5.5
181.10139	3.4
183.08031	1.8
183.11676	13.6
184.08810	2.9
185.09641	9.5
185.13280	2.8
186.10332	5.6
187.07524	11.3
187.11185	37.4
188.11916	1.5
189.09094	14.8
189.12744	3.9
191.10587	2.1
191.14240	1.7
193.10065	4.4
196.08815	9.7
199.11176	24.5
201.05482	2.3
201.09071	4.6
201.12744	32.4
202.08627	2.5
203.06972	2.6
203.10674	15.9
203.14299	2.0
205.08575	2.3
205.12216	7.0
211.07622	1.7
211.11157	21.8
214.09848	1.7
215.06992	4.0
217.08653	2.4
217.12195	20.3
219.10059	3.7
219.13730	7.7
229.08594	4.6
229.12215	37.0
246.70337	2.0
247.09492	12.0
247.13264	100.0
247.17191	5.1
248.09418	1.8
248.13460	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	247.1331
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03933	3.4
55.01858	4.8
55.05511	14.8
57.03445	2.4
61.81509	1.4
65.03947	3.3
67.05508	26.9
67.75284	1.5
69.03431	38.4
69.07069	6.8
69.54698	7.7
70.06577	2.1
71.04983	4.4
72.08152	10.5
77.03902	1.5
79.05492	22.9
81.03390	2.3
81.07068	15.4
82.04572	1.5
83.04990	19.1
85.02900	5.8
85.06561	3.3
86.09694	4.6
91.05478	33.3
93.07043	26.8
95.04971	47.3
95.08611	17.7
97.02876	3.9
97.06532	12.1
99.04467	1.6
103.05463	6.7
105.07029	80.4
107.04935	5.1
107.08604	24.2
109.02879	5.6
109.06519	26.7
109.10152	4.7
111.04448	11.7
111.08083	3.2
113.05966	2.5
115.05463	6.0
116.06220	3.5
117.07005	15.2
119.04960	3.0
119.08581	49.7
119.09445	2.5
120.08109	19.5
121.06503	27.1
121.10152	12.1
122.05991	1.4
123.04420	4.7
123.08065	42.0
125.05990	3.1
128.06215	11.0
129.07018	19.2
130.07799	8.1
131.04922	3.9
131.08568	44.1
133.06479	13.8
133.10133	17.0
135.04352	2.0
135.08058	17.0
137.05957	6.2
137.09593	4.5
139.07613	1.9
141.07008	13.9
142.07767	20.5
143.08571	22.3
144.05695	6.0
144.09323	9.7
145.06497	13.6
145.10136	31.0
146.06049	1.5
146.07234	4.9
147.04361	1.4
147.08066	21.5
147.11662	10.5
148.08812	4.8
149.02315	1.8
149.05997	5.0
149.09601	10.4
151.07542	5.7
153.07027	8.8
154.07779	2.8
155.08580	10.9
156.09328	14.8
157.06494	3.9
157.10129	31.8
158.07260	14.4
158.10915	4.4
159.08043	31.1
159.11688	31.0
160.08850	6.9
161.05940	3.2
161.09633	23.0
162.09930	1.8
163.07539	5.4
165.09111	20.9
166.07791	3.2
167.08562	3.0
168.09343	9.6
169.06470	4.4
169.10147	4.6
170.07181	1.9
171.08043	9.6
171.11691	15.5
172.08847	19.2
173.06039	1.6
173.09621	21.7
173.13243	19.8
174.06720	2.6
174.10400	1.9
175.07497	7.7
175.11191	20.3
177.09161	2.2
178.07730	2.1
181.06474	3.2
183.08000	2.8
183.11690	13.8
184.08815	3.1
185.09612	8.9
185.13176	1.6
186.10416	7.5
187.07591	7.4
187.11172	29.3
189.09108	18.8
189.12714	3.2
193.10147	5.0
196.08850	12.5
199.11185	35.1
201.09135	3.5
201.12733	32.6
203.10651	14.1
205.12196	5.7
211.11215	20.7
215.06935	1.8
217.12228	20.1
219.08003	3.7
219.10155	3.7
219.13730	7.8
229.08647	3.7
229.12202	35.7
247.07594	4.4
247.09657	9.9
247.13290	100.0
247.24178	1.5
248.13586	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.72151	1.2
53.03932	3.8
55.01870	2.4
55.05503	4.3
55.59708	1.4
59.04992	2.5
65.03936	4.3
67.05489	5.8
68.99790	1.5
69.03435	22.5
79.05466	9.9
81.07054	8.4
83.04984	22.8
85.06551	1.6
91.05477	19.2
92.66500	1.5
93.03401	3.9
93.07044	12.6
95.04972	7.3
95.08636	2.6
97.02885	8.0
97.06541	1.6
102.23132	1.6
105.07034	17.0
107.04948	3.1
107.08597	14.0
109.02870	12.9
109.06531	10.2
109.10128	3.3
111.04445	6.1
115.05449	4.0
116.06260	1.7
117.06980	9.9
119.04881	1.4
119.08565	15.7
121.02850	2.0
121.06514	17.0
121.10147	6.4
123.08037	2.3
128.06209	2.6
129.06998	9.4
130.07729	1.4
131.08585	18.1
132.05734	3.4
133.10120	10.1
135.07079	2.0
135.08052	26.6
136.08411	1.7
137.05994	4.5
137.09622	5.6
139.03860	2.9
141.07011	3.9
142.07748	2.9
143.08568	9.4
144.09348	10.3
145.06497	13.7
145.10149	14.9
147.08047	5.6
149.09619	23.3
150.10387	2.6
151.11163	4.0
153.06984	3.5
153.09142	2.0
154.07657	3.1
155.08548	4.9
157.06493	2.9
157.10124	5.1
158.07246	3.4
158.10886	10.4
159.08066	11.7
159.11684	29.5
160.08835	4.0
161.09613	4.8
163.07536	22.5
163.11221	4.7
165.09142	2.6
168.09351	5.9
169.10132	4.1
170.10907	5.1
171.08060	9.2
172.08829	19.4
173.09615	30.3
173.13266	31.1
174.13640	1.6
175.07603	2.3
177.12654	1.5
181.06436	2.3
183.11685	10.1
185.09549	2.7
185.13271	2.3
186.10406	25.4
187.07565	4.7
187.11182	100.0
188.11618	2.3
189.09122	2.9
191.07034	43.0
196.08852	6.4
199.07567	1.6
201.12744	48.4
203.14296	1.8
205.12302	4.7
211.11188	14.1
214.09818	1.9
219.08157	1.5
219.13803	7.6
222.49503	1.5
229.12236	62.9
230.12613	2.5
247.07684	3.0
247.13295	86.3
247.17058	2.9
248.13728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
55.05518	69.3
65.37366	2.6
69.79293	4.5
69.79682	4.3
70.59788	2.4
71.08603	2.2
83.04989	100.0
84.05300	2.8
90.96741	2.6
91.05479	13.3
93.07070	3.7
104.99293	9.3
114.05558	2.9
114.68133	2.2
117.07036	2.5
119.08612	18.3
132.05759	5.3
147.08064	47.1
148.69724	2.3
210.43607	2.3
247.10857	3.8
247.13216	5.8
247.17027	3.7
247.20688	3.2
248.06982	3.9
267.72098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	(-)-Methyl asperageigerate
Peak:m/z	Relative Intensity
53.03949	3.3
53.97553	1.0
55.01862	4.2
55.05272	1.7
55.05516	26.8
57.03441	1.9
57.07071	3.1
65.03931	1.4
66.91733	1.3
67.05188	1.4
67.05511	18.6
68.99795	3.6
69.03425	2.0
69.07077	12.0
69.83431	3.6
77.97457	1.2
79.05495	24.3
79.40263	1.2
81.03441	6.9
81.07064	33.8
83.04979	3.6
83.08617	14.7
85.04042	1.3
88.90145	1.3
90.16629	1.2
91.05478	23.4
93.07045	21.6
94.42611	1.2
95.04974	4.6
95.08588	9.1
97.06525	3.6
98.22705	1.5
104.99257	4.3
105.07034	14.3
107.04943	7.8
107.08614	8.7
107.58983	1.3
109.06517	8.6
109.10122	2.9
111.08066	2.8
111.52408	1.1
115.05450	14.7
116.06275	2.1
117.07022	29.4
119.08582	12.4
121.02877	2.8
121.06485	7.7
121.10151	7.5
123.04435	2.9
123.08085	2.2
123.11710	2.1
125.05997	2.9
128.06244	2.1
129.06989	4.6
131.08577	13.4
133.10115	3.4
135.08044	3.6
135.11687	3.0
137.09622	2.1
141.06937	2.2
143.08592	2.9
144.05705	2.4
145.06491	34.5
145.10147	4.8
147.08022	7.8
147.11719	1.8
149.05983	4.0
149.09654	9.9
149.13235	1.7
155.08571	2.5
159.08064	53.5
159.11705	3.7
160.08719	3.7
161.13235	2.0
163.11203	1.8
173.09552	2.3
177.09064	1.8
187.14809	1.9
191.10683	6.5
229.15973	2.2
229.19519	2.7
247.16936	100.0
247.20638	16.5
248.17342	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	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.81763	0.7
53.03940	2.7
55.01887	1.7
55.05520	17.2
57.03440	1.7
57.07058	2.7
62.83508	0.7
65.03927	1.4
67.05511	34.8
69.03429	1.6
69.07076	11.3
71.04980	3.1
71.30991	1.0
74.91047	0.7
79.05496	31.3
81.03419	1.8
81.07062	46.4
83.04996	4.5
83.08631	5.0
85.06540	1.8
88.24592	0.8
91.04952	1.5
91.05484	17.2
93.07053	35.9
95.04974	9.0
95.08611	29.4
95.09235	1.1
97.06543	6.9
97.10159	3.9
99.08086	1.8
105.04529	0.9
105.06373	1.3
105.07043	16.6
107.04949	3.1
107.08599	24.7
109.06527	11.5
109.10156	15.9
111.08090	1.3
115.05410	1.2
117.07026	7.0
119.08588	15.8
121.06490	3.6
121.10150	24.6
123.08067	6.0
123.11710	7.9
125.09635	2.8
126.05494	0.9
128.45569	0.7
129.06992	1.1
131.08574	10.1
133.10127	12.2
135.08054	5.0
135.11705	14.2
137.09613	11.2
137.13239	1.5
139.11160	1.3
145.10135	10.9
147.11682	9.4
149.09651	6.4
149.13258	8.5
151.11194	13.1
157.10133	0.9
159.11690	10.3
161.13287	5.8
163.11215	6.0
163.14853	3.1
165.12758	7.0
173.13277	7.5
175.14853	2.2
177.12740	4.2
177.16335	1.1
179.14288	2.6
187.14801	6.2
189.16418	2.5
191.14345	2.7
195.53004	0.8
200.15648	1.0
201.16388	2.5
203.18057	2.0
205.15854	2.5
205.19479	1.0
219.21126	0.9
229.19518	33.3
230.19818	1.1
245.45869	1.1
247.16705	2.6
247.20592	100.0
248.20967	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	248.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48896	0.5
55.05503	0.5
56.05026	0.9
56.96566	1.6
60.54383	0.4
70.07303	0.4
71.30357	0.7
72.08153	4.5
77.00936	0.4
80.32891	0.5
82.99875	2.1
84.08153	2.7
91.05449	1.4
93.07028	2.5
98.97602	1.4
100.02496	3.0
101.00877	21.2
103.05466	13.7
104.05286	0.6
116.98635	0.6
118.03516	19.4
119.01921	100.0
120.01985	3.0
120.08105	64.1
121.08437	1.3
129.10249	0.8
130.03513	1.5
130.06516	2.7
131.04924	5.6
132.06575	1.0
136.04552	6.3
137.02954	32.9
138.03053	0.8
142.03485	1.5
150.05653	0.9
151.06053	0.6
156.01367	0.7
158.05922	0.7
160.06094	3.3
161.06171	0.6
174.02458	1.8
177.05402	0.7
178.07132	3.8
179.05518	1.1
187.07559	1.3
188.05612	0.6
190.08562	1.0
197.06607	0.8
202.07144	15.8
203.05563	4.4
203.07201	1.2
206.06644	6.0
207.05032	0.9
220.06389	0.6
220.08228	5.3
221.06593	21.0
221.08739	1.1
222.06825	0.8
224.07701	0.8
230.06590	3.8
231.04861	1.1
239.07603	5.0
242.08684	1.4
244.08076	0.6
248.07657	35.8
249.05910	10.3
250.06279	0.6
266.08737	28.1
267.06934	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	248.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	40.1
57.78410	1.0
70.06603	1.2
70.36349	1.9
70.36684	1.9
70.98114	1.7
71.95251	2.6
72.96037	2.7
74.97574	1.4
84.08126	1.4
84.96027	2.0
85.02890	2.6
86.09690	4.1
88.99139	1.7
98.97587	100.0
99.94912	1.1
104.66477	1.0
116.00238	1.6
116.98628	44.5
119.01882	1.4
123.39309	1.1
128.98586	3.6
131.00270	1.0
134.01250	1.0
134.99666	13.8
135.94511	1.1
140.03813	3.0
142.05399	2.5
143.00073	1.2
146.99609	3.1
149.01192	1.3
154.03960	1.2
158.04915	2.9
158.99719	1.7
160.06447	4.4
165.00684	1.1
170.04984	2.5
171.03311	2.6
172.94356	1.6
177.00760	1.4
178.07562	1.9
180.03697	1.1
182.07613	1.1
188.05933	3.8
189.00761	2.5
189.04375	10.1
202.07492	1.2
206.01607	1.1
206.07066	7.3
207.01750	2.2
207.05411	3.9
212.06052	1.3
224.02672	1.7
224.08002	8.0
230.07021	26.0
231.05319	2.0
248.08054	57.3
266.09067	6.0
267.09329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92300	15.4
94.93002	81.9
99.13533	13.8
121.36470	15.8
138.79424	15.3
169.75366	15.5
187.74844	15.5
249.03711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.5
55.01869	8.8
55.05514	4.9
55.89615	1.9
57.03432	11.4
61.02914	5.8
67.05502	8.7
68.99785	6.2
69.03432	84.2
69.03816	3.9
69.07063	7.6
71.04994	11.4
71.30568	4.6
73.02914	6.3
79.05495	10.7
81.03416	37.1
81.07054	19.9
83.75887	2.3
85.02908	100.0
87.00832	41.1
91.05485	14.5
92.39127	2.3
93.07058	10.7
95.04959	4.3
95.08614	19.0
97.02895	38.4
97.06509	5.6
99.04455	24.4
105.01856	16.6
105.07044	14.5
107.08604	9.6
109.02881	24.1
109.06564	3.2
109.10155	8.1
115.05470	3.8
116.06280	2.7
117.07024	4.7
119.08554	14.9
121.10143	9.2
123.04524	3.0
123.11694	4.4
127.03050	4.5
127.03922	55.3
127.22498	2.4
128.06218	5.6
128.26395	2.5
129.07011	9.5
131.04974	2.7
131.08569	13.7
133.06512	3.9
133.10121	13.4
135.08072	3.5
135.11642	3.9
141.06958	4.8
142.07774	2.8
143.08554	4.4
144.05701	3.9
145.04976	8.9
145.06468	6.8
145.10173	3.0
147.08101	3.7
147.11723	6.8
149.09679	3.6
149.13263	2.8
155.06067	3.4
157.06477	4.0
159.02852	3.1
159.07997	13.1
161.06059	2.9
161.09622	9.8
161.13237	5.3
163.11218	3.3
165.12903	2.6
170.07288	3.4
171.08035	2.2
171.11662	2.3
173.06029	5.0
175.07521	2.8
185.13300	2.4
187.07582	11.2
189.05492	4.6
189.09119	6.4
189.16353	5.5
203.07082	3.8
203.14297	3.7
203.18011	8.4
213.16461	3.5
217.04953	5.7
231.10063	2.9
231.13719	3.2
231.17528	4.6
233.06978	2.2
249.08920	4.9
249.11232	46.6
249.14671	4.0
249.16367	3.9
249.18338	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.26414	0.4
55.05499	0.8
57.03428	0.9
67.05502	2.3
69.03429	1.8
69.07065	1.0
69.12189	4.3
71.04993	1.0
79.05489	1.6
81.03412	1.2
81.07041	2.2
83.04978	0.7
85.02913	1.1
85.06552	1.3
88.84132	0.5
91.05485	10.1
93.07038	2.0
95.04948	0.9
95.08609	3.4
97.02889	1.3
103.05470	2.4
105.07041	5.1
107.04965	2.4
107.08588	1.9
109.06530	0.8
109.10159	2.0
111.45396	0.6
115.05463	7.9
116.06251	4.8
117.07039	4.6
119.08585	1.8
121.06518	1.3
121.10177	1.3
127.03907	0.7
128.06230	12.5
129.07010	25.8
130.07834	1.2
131.04935	3.3
131.08572	21.2
132.05719	1.7
133.06508	4.5
133.10124	2.5
135.08058	0.8
135.11626	0.8
141.06999	13.1
142.07791	5.2
143.04941	1.3
143.08592	4.8
144.04654	1.1
144.05708	11.7
145.06482	6.6
145.10120	1.0
146.03790	0.6
146.07263	4.2
147.04407	1.5
147.08052	1.2
147.11676	1.5
152.06183	1.4
153.07007	2.4
155.06039	2.4
156.05716	2.4
157.06497	12.2
157.10162	0.5
158.07329	2.8
159.04465	0.9
159.08060	32.7
160.05165	2.3
160.08514	1.0
161.05980	5.7
161.09644	9.1
161.13301	0.6
167.04880	0.6
167.07039	0.7
168.05592	0.6
169.06471	1.6
169.07704	3.4
170.07272	9.8
171.04399	2.0
171.08035	6.8
172.05190	4.1
173.05997	6.0
174.06778	3.6
175.07512	3.4
177.05453	0.6
178.06253	1.8
179.07048	1.4
184.05200	0.9
185.05969	1.6
186.06763	0.8
187.07553	22.1
188.04701	0.8
188.08321	1.3
189.05492	4.5
189.09106	11.1
189.12811	0.8
190.06270	2.3
191.07048	1.8
192.07785	0.6
193.08574	1.0
198.06812	1.9
199.07538	3.6
201.05396	2.0
203.07056	8.2
203.14484	0.7
203.18025	1.4
204.07829	14.1
205.08549	2.2
206.09325	1.2
216.07854	4.9
217.08476	0.8
218.09319	1.2
219.06567	0.9
219.10083	3.3
221.08136	1.9
221.11682	4.0
231.10167	7.7
231.13663	1.0
231.17357	0.8
234.08875	0.8
249.11229	100.0
249.18300	3.4
250.11555	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	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01877	1.1
67.05484	1.1
69.03435	1.1
69.06125	7.7
69.06454	1.0
70.16372	0.8
71.04993	1.1
75.09634	0.9
77.30584	1.0
79.05488	1.8
91.05481	10.1
97.02944	1.1
102.21573	1.0
103.05470	1.1
105.07024	3.5
107.04942	1.8
111.83411	0.9
115.05444	7.4
116.06242	4.1
117.07000	2.9
119.04899	1.1
128.06232	12.7
129.07007	25.5
130.07774	1.7
131.04932	3.4
131.08560	19.0
132.05696	1.3
133.06468	3.4
133.10127	1.7
141.06984	11.2
142.07806	5.5
143.04924	1.8
143.08578	3.9
144.05701	10.8
145.06493	8.3
146.07268	5.4
147.04437	1.5
149.06003	1.1
152.06223	1.4
153.06978	2.8
155.04892	1.0
155.06046	2.3
156.05737	1.6
157.06488	11.2
158.07272	2.3
159.08051	30.3
160.05115	1.6
161.06013	5.5
161.09642	6.9
163.07452	1.0
169.06406	2.0
169.07626	3.5
170.07283	9.0
170.81976	0.9
171.04355	1.6
171.08060	6.8
172.05193	4.2
173.05971	6.1
174.06764	3.0
175.03886	2.4
175.07567	3.6
185.15501	0.9
186.06866	1.2
187.07545	18.9
188.08290	2.0
189.05481	3.6
189.09120	9.9
190.06218	2.0
191.07076	1.3
192.07851	1.0
198.06741	2.5
199.07526	3.5
201.05501	1.6
203.07004	6.8
204.07817	14.8
205.08588	1.5
206.09433	1.1
216.07796	4.3
218.09338	1.7
219.10152	1.9
221.11703	2.8
231.10121	7.0
234.09012	1.2
249.11230	100.0
250.11606	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	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
53.03920	0.4
55.01861	0.7
56.71062	0.4
62.53342	0.4
67.05499	0.8
69.03408	1.2
70.19102	1.2
71.04983	1.2
79.05468	0.6
81.03415	0.7
81.07059	0.5
83.19122	0.4
85.02901	0.6
91.05479	6.9
93.07010	0.5
95.04947	0.4
103.05453	1.4
105.07047	3.7
107.04953	2.3
110.36627	0.5
115.05423	4.8
116.06239	4.2
117.07007	3.5
118.04182	0.4
119.04932	0.7
121.06499	0.8
121.10182	0.4
127.03899	0.5
127.05426	0.5
128.06226	9.8
129.07007	19.9
130.07774	0.9
131.04913	1.8
131.08565	18.3
132.05696	1.6
133.06500	3.0
133.10120	1.5
139.05374	0.5
141.06976	9.9
142.07784	4.1
143.04926	1.1
143.08554	3.5
144.05688	9.6
145.06497	6.4
146.03622	0.7
146.07254	3.7
147.04408	1.8
147.08058	0.7
152.06245	1.4
153.06964	2.0
155.06039	1.7
156.05740	2.5
157.06485	9.9
158.07248	2.1
159.08049	29.4
160.05159	1.4
160.08524	0.7
161.05991	3.8
161.09616	8.0
167.07037	1.1
169.06415	1.4
169.07620	3.7
170.07268	9.3
171.04465	1.6
171.08037	6.0
172.05211	3.5
173.05995	3.8
174.06778	2.9
175.07549	3.5
177.05524	0.8
178.06259	0.5
181.06366	0.9
184.05226	1.0
185.06009	1.6
186.06679	0.4
187.07536	19.7
188.04645	0.8
188.08203	1.5
189.05447	3.4
189.09096	9.8
190.06215	0.8
191.07007	1.6
192.07616	0.4
193.08582	1.2
197.74400	0.4
198.06822	2.0
199.07521	3.3
201.05479	1.3
203.07019	6.8
203.10631	0.5
204.07814	15.0
205.08543	2.5
206.09331	1.6
207.10188	0.7
216.07817	3.2
217.08577	1.3
218.09402	1.7
219.10208	1.9
221.08131	1.0
221.11691	4.1
231.10184	7.5
234.08899	0.9
249.11215	100.0
250.11584	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	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.90421	0.9
53.03940	1.5
55.01875	55.9
55.05510	2.0
65.03932	1.6
67.05490	3.2
69.03418	4.8
69.12785	4.7
69.13213	4.3
71.05000	5.2
77.00284	1.7
77.03944	1.0
77.92181	1.0
77.92623	0.9
79.05475	4.1
81.03415	1.7
81.07056	3.2
85.02927	1.4
91.05482	17.7
93.07056	5.6
95.01318	1.9
95.04964	3.4
95.08607	1.6
97.02879	2.0
97.06510	2.4
99.08088	4.4
103.05459	2.5
105.03388	3.5
105.07040	11.0
107.04945	4.5
107.08547	1.8
111.08083	100.0
112.08449	2.5
115.05452	11.3
116.06223	3.5
117.07021	8.0
118.05021	1.0
119.04926	1.5
119.08589	5.6
121.06525	3.1
123.00793	3.3
123.04384	1.2
128.06227	13.7
129.06123	2.1
129.07008	28.5
131.04932	4.5
131.08572	15.9
133.02757	1.3
133.06512	8.4
133.10095	3.8
135.04420	2.4
135.08031	2.9
141.06985	12.2
142.07774	8.9
143.04933	1.7
143.08589	10.5
144.05740	6.4
145.06508	7.6
146.07245	3.7
147.04388	2.8
147.08035	6.1
147.11674	1.5
149.05968	2.0
151.03900	9.6
152.06248	3.1
153.06958	2.0
154.07764	2.1
155.05983	2.3
157.06506	13.5
157.10126	9.4
158.07245	2.3
159.08070	22.5
159.11754	1.5
161.05984	7.7
161.09613	10.1
163.07538	3.1
165.05519	1.9
165.06932	2.5
167.08571	5.1
169.07660	2.1
170.07278	5.9
171.04381	1.0
171.08093	8.1
172.05206	2.0
173.05949	2.8
173.09607	1.5
173.81009	1.0
174.06676	1.5
175.03987	1.1
175.07533	5.2
175.11249	5.2
177.09093	1.4
185.05925	2.3
185.09615	14.2
187.07544	13.9
187.11197	1.7
189.05441	3.4
189.09070	10.0
195.08035	1.6
198.06770	2.0
199.07545	2.3
203.07022	5.8
203.10666	20.0
204.07848	7.4
205.08537	3.7
205.12271	1.0
206.07660	1.4
213.09140	7.0
214.34190	1.0
216.07918	1.1
221.08083	3.3
221.11739	1.8
231.10159	49.7
232.10487	1.1
249.09270	2.4
249.11237	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.93316	0.2
55.01856	0.5
55.05497	0.3
57.03422	0.6
65.03941	0.3
67.05496	0.8
69.03403	1.4
69.37437	1.0
69.37840	0.6
71.04987	0.6
79.05486	0.6
85.02904	0.4
86.59190	0.2
91.05480	7.2
95.04939	0.5
97.02877	0.8
102.04694	0.3
103.05467	1.5
105.07030	3.2
107.04948	2.2
107.08627	0.3
109.06551	0.3
111.08062	0.4
115.05444	6.9
116.06241	3.8
117.07034	3.4
118.07796	0.5
119.04911	0.6
119.08562	0.8
121.06506	0.8
127.05390	0.3
128.06223	10.3
129.07005	22.8
130.04141	0.4
130.07732	0.9
131.04924	2.4
131.08566	18.5
132.05751	1.6
133.06497	3.0
133.10109	2.1
139.05402	0.5
141.06979	9.5
142.07771	4.5
143.04947	0.9
143.08594	3.1
144.05708	10.6
145.06493	6.7
146.03580	0.6
146.07272	3.2
147.04378	1.7
147.08018	0.6
149.05983	0.4
152.06184	1.8
153.06984	2.1
155.04915	0.5
155.06030	2.4
156.05698	2.2
157.06491	10.4
158.07271	2.7
159.04405	0.9
159.08057	28.2
160.05190	1.6
160.08577	0.7
161.05984	4.4
161.09621	7.3
162.09941	0.4
163.07532	0.3
167.04909	0.5
167.07040	1.0
169.06303	1.8
169.07700	3.1
170.07269	8.9
171.04446	1.3
171.08055	6.9
172.05180	3.8
173.05992	4.4
174.06763	2.6
175.07585	3.2
177.05458	0.5
178.06297	1.2
181.06400	0.4
184.05222	0.7
185.05954	1.5
186.06769	0.8
187.07547	19.1
188.08269	1.4
189.05482	3.9
189.09103	8.4
190.06192	1.3
190.09642	0.3
191.07005	1.5
193.08656	1.0
198.06778	2.3
199.07564	2.6
201.05464	1.9
202.06273	0.3
203.07028	7.0
204.07817	13.9
205.08575	1.9
206.09421	1.2
216.07809	4.0
217.08568	1.0
218.09387	1.1
219.10115	1.9
221.08078	1.1
221.11694	3.9
231.10162	7.9
234.08887	0.9
249.11217	100.0
250.11583	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	249.1236
Annotation	6-Hydroxymelatonin
Peak:m/z	Relative Intensity
50.12389	0.5
51.99915	0.5
53.03934	0.7
55.03448	0.4
56.96542	0.6
70.77370	1.0
70.77737	0.6
80.05024	8.7
82.06595	2.9
91.05514	0.6
95.04928	1.2
97.02879	0.5
97.18363	0.6
98.97559	0.9
103.05472	6.5
103.87413	0.6
104.05283	0.8
108.04486	4.3
115.05438	0.5
116.98605	0.6
117.07003	0.7
119.04939	0.7
123.04404	1.1
125.07101	1.1
128.06236	1.5
129.06987	4.1
130.06537	19.3
131.04930	12.4
131.08553	0.8
135.04419	0.9
137.06003	2.5
144.05670	2.2
144.08107	5.0
145.06485	2.1
146.05983	0.7
147.06845	2.7
148.07539	0.5
150.05438	0.7
151.03906	3.1
155.04930	4.8
155.06059	0.9
156.05693	1.1
157.06520	3.1
158.06021	31.5
159.06766	3.8
159.08064	1.4
161.05956	1.0
161.08412	1.2
161.09671	0.9
163.07552	9.8
172.05240	4.2
172.07576	8.6
173.08330	1.4
174.05493	0.8
175.06287	9.2
175.07643	0.8
176.06810	0.6
183.04440	4.4
187.07550	67.2
188.07988	1.1
189.05403	0.8
189.07826	7.2
189.09132	0.8
190.08636	100.0
191.08990	2.9
200.07190	0.8
201.29886	0.5
204.10217	14.9
207.11478	0.6
215.07066	8.0
217.07382	1.4
232.09697	9.9
249.12372	54.6
250.12743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04992	8.3
56.96528	2.1
61.01145	4.3
69.03394	0.7
70.06552	1.3
72.08161	3.4
74.06075	0.7
76.25459	0.7
80.05022	8.9
81.03400	0.8
82.06544	2.1
82.06995	0.7
84.04488	1.0
84.08090	0.8
86.09695	1.0
87.05586	0.8
91.05466	1.2
93.06993	0.8
95.04915	0.9
97.02874	1.3
98.97603	3.7
103.05465	6.9
104.05326	11.2
105.07014	1.2
108.04475	4.8
110.07149	0.8
115.05437	2.0
116.07054	2.4
116.23591	0.7
116.98628	3.5
117.06979	1.9
120.08110	0.9
121.06477	0.7
123.04400	1.1
125.07088	1.0
128.06215	0.7
129.06995	5.1
130.06532	20.0
131.04927	12.9
131.08595	0.9
132.08034	0.7
133.06485	1.3
134.99600	2.2
135.04404	1.7
137.05933	2.5
141.06909	0.8
141.71397	0.7
143.00162	0.8
143.04921	1.5
144.05653	2.6
144.08109	5.5
145.06467	2.3
145.58766	0.8
146.05983	1.5
146.99654	0.9
147.04402	0.9
147.06737	2.2
148.05174	1.2
151.03902	3.5
155.04948	9.3
155.06085	0.8
156.05634	1.6
157.06496	2.7
158.06020	32.2
158.99632	0.9
159.06720	3.3
159.07974	1.3
160.05167	1.2
161.01213	1.1
161.05956	2.3
161.08386	1.4
161.09618	1.6
163.07568	8.3
171.04446	1.6
172.05232	3.5
172.07584	7.8
173.08376	1.4
175.06259	8.9
175.07516	1.0
177.00676	2.1
183.04416	5.1
187.07552	65.9
188.07942	1.1
189.05362	0.9
189.07765	5.8
189.09076	1.0
190.08641	100.0
191.07292	0.8
191.09010	2.7
200.07057	1.7
201.12311	1.1
203.07094	2.9
204.10225	14.6
215.07027	8.8
217.05083	0.7
217.07280	0.8
232.09714	12.2
249.12410	48.9
250.12505	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.60944	1.3
55.05505	5.4
57.07050	2.1
58.59921	1.2
67.05494	5.7
69.07066	12.3
79.05490	3.7
81.07060	9.1
83.08605	6.7
85.06541	2.6
91.05488	5.5
93.07046	14.9
93.22322	1.3
95.08605	26.6
97.06567	1.7
97.10150	2.3
105.07031	16.5
105.29678	1.5
107.08595	21.4
109.06512	1.7
109.10194	7.5
109.10806	1.2
111.08112	1.3
119.08585	57.0
121.10136	19.9
123.11713	2.8
131.08575	2.4
133.10129	37.2
135.08006	1.9
135.11708	12.3
137.09618	1.3
139.07516	4.1
145.10065	4.1
147.11688	23.4
148.04010	1.4
149.13295	4.2
151.07562	1.7
153.09113	5.1
161.09641	2.2
161.13278	3.7
165.09109	3.7
167.10678	1.4
175.11182	3.3
177.12788	1.4
179.10661	6.4
187.14810	4.7
189.16391	100.0
190.16693	2.6
193.12239	6.7
203.18002	3.8
207.13869	2.0
213.16492	2.9
231.17426	9.4
245.65700	1.2
249.18507	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.62068	4.8
59.14567	4.6
69.07056	10.0
70.26079	13.1
81.07056	14.0
93.07065	13.9
95.08613	29.2
105.07043	27.9
107.08604	16.9
109.10169	5.7
114.80344	4.3
119.08557	47.3
121.10136	17.2
133.10123	34.4
135.11664	23.3
135.12605	5.1
147.11697	36.4
149.13304	5.0
160.62691	5.1
179.10617	6.2
189.16389	100.0
193.12245	8.9
219.11813	4.8
231.17462	7.1
249.18605	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	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
54.22191	4.7
55.05534	6.0
59.31639	3.6
62.05420	4.5
67.05509	6.1
69.07072	9.5
81.07074	8.8
91.05507	8.0
93.07055	12.0
95.08624	17.2
105.07047	21.7
107.08602	20.2
109.10181	10.2
115.29204	4.3
119.08592	44.4
121.10188	11.6
123.11724	5.0
133.10136	20.7
135.11713	14.2
147.11699	27.3
161.13260	5.5
189.16396	100.0
193.36475	4.1
200.14531	4.6
207.13884	5.0
231.17387	5.8
249.18492	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	249.1851
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05511	4.8
56.00651	0.5
57.07070	1.7
59.04990	1.3
59.78009	0.6
67.05503	4.3
69.07074	8.3
71.04995	1.8
78.22533	0.5
79.05498	3.9
81.07053	7.3
83.08624	4.1
85.06557	2.8
89.02174	0.6
91.05480	5.8
93.07046	16.8
95.04969	0.7
95.08604	17.6
97.06503	1.2
97.10165	1.9
98.22530	1.3
105.07032	22.7
107.07857	1.0
107.08596	20.3
109.06525	1.6
109.10152	8.9
119.08582	45.5
121.06471	0.7
121.10143	13.0
123.08063	1.7
123.11720	3.3
130.52194	0.5
131.08577	2.0
133.10129	26.1
135.08047	1.0
135.11696	20.2
137.09547	0.7
139.07510	3.7
145.10110	2.7
146.10843	0.8
147.08064	0.7
147.11681	23.9
149.09654	0.6
149.13266	1.3
151.07486	1.6
153.09102	5.1
159.11702	0.6
161.09637	1.3
161.13220	3.2
165.09116	2.4
167.10619	1.5
174.14091	1.1
175.11211	1.0
175.14767	0.9
179.10652	5.1
187.14806	4.0
189.12756	1.9
189.16382	100.0
190.16708	2.9
193.12274	4.5
203.17947	2.1
207.13818	1.6
213.16309	1.8
231.17451	6.8
249.18486	38.9
250.18863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.89904	0.5
55.05513	6.1
57.07065	2.0
59.04995	0.7
61.02937	0.5
67.05506	3.7
69.07069	8.8
71.04993	2.4
71.64637	0.4
79.05493	4.0
81.07059	9.1
83.08623	3.7
85.06545	2.8
91.05473	6.1
93.07043	13.1
95.04966	0.6
95.08608	18.0
97.06514	1.4
97.10197	2.9
103.58717	0.4
105.06289	0.6
105.07030	21.4
107.08598	21.7
109.06512	2.1
109.10155	8.9
111.08031	0.5
111.11737	0.9
119.08581	43.4
121.06483	0.9
121.10143	13.4
123.08047	1.7
123.11715	4.1
127.07597	1.1
131.08586	1.8
133.06520	0.7
133.10132	26.9
134.10423	0.6
135.08012	0.8
135.11693	18.3
139.07524	3.2
145.10143	3.4
146.10896	0.8
147.08035	0.6
147.11684	22.5
149.09703	0.7
149.13260	3.0
151.07579	1.2
153.09113	4.5
157.10056	0.5
159.11707	0.6
160.12442	0.7
161.09622	1.0
161.13240	3.8
163.14781	0.6
165.09100	3.3
167.10608	1.2
171.11720	1.0
173.13220	0.8
174.14066	1.0
175.11206	1.3
179.10680	5.1
187.14828	3.5
189.12753	1.9
189.16382	100.0
190.16768	2.9
193.12242	5.0
203.18028	2.9
207.13780	2.5
213.16365	1.9
221.15329	0.4
231.17419	7.7
249.18500	39.5
250.18808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1852
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05517	7.0
57.07071	1.6
67.05505	7.3
69.07071	9.3
70.46670	3.1
71.04978	2.9
79.05499	4.5
81.07069	11.1
83.04987	1.1
83.08623	5.3
85.06549	3.7
91.05501	7.2
93.07042	18.7
95.08610	20.6
97.06484	1.3
99.04374	1.2
105.07032	22.1
107.07870	1.2
107.08603	20.9
109.06551	2.1
109.10155	10.7
117.06993	1.6
119.08586	47.9
121.06532	1.5
121.10163	12.3
123.08170	1.3
123.11706	4.5
131.08577	2.1
133.10135	27.9
135.08138	2.1
135.11691	19.4
137.09662	1.1
139.07539	5.5
142.58521	1.2
143.08511	1.3
145.10118	4.8
147.11696	23.4
149.13246	2.2
151.07506	1.9
153.09143	5.5
157.10103	1.9
159.11653	2.0
161.09679	2.1
161.13237	3.0
165.09103	3.8
171.11694	2.6
173.13101	1.3
175.11235	2.3
175.14766	1.4
179.10660	4.9
187.14870	4.6
189.16391	100.0
190.16798	3.2
193.12230	6.8
203.17929	2.7
207.13818	2.8
213.16376	1.3
231.17393	10.6
241.35905	1.3
249.18513	47.2
250.18752	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	249.185
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03948	3.0
55.01870	9.4
55.05514	13.6
57.07075	6.1
67.05505	15.5
69.03421	2.6
69.07070	11.9
70.10763	4.3
79.05490	12.6
81.07059	49.6
83.04977	4.9
83.08617	3.7
91.05478	9.4
93.07051	14.9
95.04942	2.1
95.08607	16.6
97.06552	2.0
105.07033	13.5
107.04943	11.6
107.08599	12.0
109.06519	17.2
109.10167	6.3
111.04443	21.0
111.08076	1.9
119.04919	1.4
119.08588	17.0
121.06541	1.3
121.10139	13.5
123.08099	6.1
123.11709	4.4
125.06001	8.8
131.08583	4.3
133.10144	11.6
135.08051	9.5
135.11708	6.8
137.05975	100.0
137.09557	2.4
137.13240	4.1
138.06351	1.2
139.07527	1.9
142.01581	1.2
142.07748	2.0
143.08563	3.6
145.10112	4.0
146.07253	1.6
147.08043	4.8
147.11678	15.2
149.09605	5.5
149.13292	5.7
151.07535	4.3
151.11209	2.4
157.10121	4.9
160.08852	1.9
160.54524	1.3
161.09630	23.5
161.13268	7.0
163.11180	9.5
163.14807	3.0
164.92105	1.7
165.09137	3.6
165.12785	3.3
167.10748	1.5
171.11739	3.6
173.13364	1.2
175.11183	16.2
175.14799	4.0
177.12691	1.3
179.10693	4.6
183.20935	1.1
189.12730	2.8
193.12218	2.8
194.11783	13.8
203.17941	22.4
203.19653	2.0
205.19421	2.3
213.16417	6.6
221.19014	7.7
231.14026	1.6
231.17445	25.6
247.66551	1.3
249.07297	7.0
249.18463	18.4
250.18080	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
52.47178	1.1
53.03936	3.6
55.01872	11.2
55.05510	25.8
57.03448	1.8
57.07079	8.3
57.66991	1.1
58.91139	1.1
59.71473	1.1
65.03546	1.1
65.03937	2.2
67.05505	62.6
69.03426	2.5
69.07069	25.5
71.04996	2.4
71.08634	5.9
72.80585	1.0
73.06555	1.9
75.32474	1.0
79.05490	22.1
79.46281	1.2
81.03432	8.7
81.07062	65.3
83.04984	11.6
83.08620	9.3
85.06573	1.8
85.10201	2.3
89.07941	1.1
91.05487	17.8
93.06466	2.0
93.07050	28.4
95.04967	9.6
95.08608	56.1
96.08938	1.4
97.06535	12.0
97.10197	6.4
99.08091	6.0
105.07020	14.8
107.08599	14.2
109.06531	9.9
109.10160	23.5
111.08082	5.0
111.11751	1.8
113.09661	2.7
117.07040	1.6
119.08579	14.6
121.10150	15.0
123.08070	7.9
123.11741	9.1
127.11152	1.4
131.08560	3.0
133.10127	12.1
135.11700	11.3
137.09637	18.2
137.13268	3.5
139.11180	2.4
147.11673	9.6
149.13286	9.8
151.11186	7.8
151.14766	3.0
153.12796	5.4
161.09563	1.1
161.13220	9.5
163.14856	3.2
165.12769	7.0
167.14326	3.9
175.14835	5.1
177.16295	2.0
179.14322	4.2
189.16418	3.4
193.15858	2.5
205.19528	1.9
207.17296	1.3
231.21095	20.1
249.11324	4.7
249.22141	100.0
249.24963	3.8
250.22462	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2213
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03948	27.6
53.04200	1.7
55.01878	8.8
55.05512	37.5
57.03426	4.1
57.07086	7.8
59.04998	2.2
59.97595	1.1
64.74287	1.2
65.03928	2.1
67.05506	62.4
68.05836	1.3
69.03423	4.7
69.07068	50.6
71.04974	2.5
71.08632	2.7
71.32126	1.7
79.05061	2.2
79.05495	34.5
79.07581	1.1
81.03419	96.4
81.07058	60.8
83.04979	22.8
83.08617	12.2
85.06523	3.6
85.10173	3.3
91.05486	18.7
93.07049	29.7
95.04971	43.9
95.08611	27.8
97.06524	5.9
97.10159	12.3
99.08085	2.3
105.07022	19.8
107.08597	15.6
109.06523	13.7
109.10159	20.2
111.08076	2.9
113.09648	3.1
119.08582	10.8
121.10146	12.8
123.08054	4.4
123.11713	10.2
125.09610	3.4
131.08533	1.3
133.10135	17.4
135.11699	7.8
137.09598	1.6
137.13275	3.1
139.11191	2.5
147.11697	5.4
149.13263	4.7
151.11182	47.6
151.14793	2.9
152.11615	1.3
153.12730	3.5
161.09564	2.2
161.13239	5.9
163.14862	2.8
165.12738	13.3
165.16345	1.2
167.14276	1.5
175.14754	2.7
177.16428	1.5
179.14308	6.6
181.08823	1.1
191.17903	2.3
231.21068	10.6
249.22144	100.0
250.22462	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	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.6
57.03433	1.6
61.02940	0.6
69.03425	4.3
70.06601	2.4
70.42325	1.1
78.89887	0.4
81.03442	0.7
85.02910	20.1
88.07636	100.0
89.07964	0.8
91.05515	0.6
97.02886	2.9
98.98474	16.3
99.04457	0.5
109.02905	1.9
127.03942	3.1
132.84019	0.4
145.04982	1.5
148.33981	0.4
154.05040	0.5
171.84164	0.5
174.99248	0.8
186.89787	0.4
205.05080	0.5
250.07097	0.7
250.12747	0.9
268.43973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
51.02371	2.3
53.03942	5.0
55.01874	9.5
55.05511	10.3
57.03421	3.6
65.03931	3.7
67.05512	30.4
69.03426	16.4
69.07055	6.9
70.86978	3.8
71.01354	2.0
71.04599	2.6
71.04994	52.8
73.29438	1.8
78.75554	1.9
79.05496	34.2
81.03414	5.5
81.07061	49.4
83.04972	7.7
83.08604	2.0
85.02908	7.0
85.06540	6.3
91.05482	40.9
93.06458	3.4
93.07047	49.3
95.04969	49.6
95.08596	13.8
97.06541	19.1
98.98464	100.0
99.04455	26.4
103.05470	6.1
105.07035	56.4
106.07337	2.0
107.04955	19.9
107.07869	2.9
107.08594	57.1
109.02859	2.2
109.06516	50.4
109.10120	3.5
111.04444	8.1
111.08080	5.9
111.50507	1.7
113.06020	10.6
115.05426	3.9
116.99492	2.1
117.07016	21.3
119.04940	8.7
119.08584	26.4
120.08109	12.0
121.06520	19.7
121.10146	12.5
123.04437	19.0
123.08059	7.9
125.05983	6.6
127.07576	10.7
128.06227	4.6
129.06989	10.2
130.07796	9.3
130.67805	1.7
131.04955	1.9
131.08569	40.4
133.06500	7.4
133.10123	9.9
135.04431	8.9
135.08049	12.8
135.11667	12.7
136.06194	4.3
137.05972	50.9
137.09618	4.2
139.07512	6.2
141.05441	4.0
141.07024	2.5
142.07838	3.9
143.08545	10.9
144.09312	6.6
145.02827	2.1
145.06493	7.1
145.10123	95.5
147.04390	6.6
147.08034	10.1
147.11655	4.6
149.05968	4.5
149.09601	13.4
151.07533	10.4
153.05472	7.8
153.06853	2.2
154.07832	3.1
155.07014	6.4
155.08481	3.8
157.10114	3.4
158.07242	4.9
159.08075	9.0
159.11700	44.6
161.09628	7.1
161.13376	3.0
163.07564	8.3
163.11192	27.7
169.10143	10.4
171.08005	2.0
172.08897	2.0
173.09602	36.6
174.99207	2.9
177.05424	4.7
177.09055	1.7
177.12755	9.8
179.10640	2.0
185.09596	2.0
187.11188	85.5
188.07016	2.1
188.11552	3.3
189.09128	3.4
189.12706	5.9
191.06999	2.1
191.10677	62.5
191.14354	2.5
197.09659	6.1
205.12244	85.4
206.08183	4.6
206.12514	2.2
207.13896	2.7
209.11713	11.4
215.10655	41.6
215.14041	2.4
223.13329	3.9
233.11722	60.3
233.15382	6.0
251.06953	3.7
251.12796	78.9
251.16212	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	251.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01867	2.2
55.05505	1.6
57.03439	1.2
57.07062	0.8
65.03944	4.2
67.05508	4.4
69.03436	1.7
69.07078	1.1
69.08344	4.0
70.06589	0.7
70.86592	0.6
71.04996	45.0
72.08180	0.6
72.90736	0.5
75.77279	0.5
76.94672	0.4
77.01589	0.6
77.03896	0.5
79.05481	5.4
81.03418	2.3
81.07062	3.2
83.04982	2.5
83.08610	1.0
84.08141	1.0
85.02895	1.1
85.06548	1.6
86.09734	0.7
89.06060	1.1
91.05484	11.5
93.03407	0.9
93.07050	2.9
95.04979	4.2
95.08617	1.6
97.06523	1.3
98.98470	100.0
103.05478	4.3
105.03414	0.9
105.07040	5.2
107.04951	3.4
107.08598	2.4
109.02879	1.1
109.06539	3.7
109.66367	0.5
111.04459	2.0
111.08061	0.8
113.06000	0.7
115.05453	5.6
116.99500	2.7
117.07053	3.0
119.04958	1.6
119.08582	1.7
120.08121	2.6
121.06490	2.9
121.10135	1.1
123.04426	1.0
123.08096	1.0
125.05942	0.6
128.06219	2.8
129.06989	1.5
131.04976	3.3
131.08565	1.8
133.06493	2.7
133.10098	0.8
135.04457	0.7
135.08070	2.0
137.05997	1.5
139.03899	0.7
141.06949	1.3
143.04955	0.8
143.08549	1.4
145.02853	1.1
145.06511	3.3
145.10149	2.3
146.05989	5.8
147.04398	2.2
147.08109	0.8
149.05977	2.3
149.09624	1.3
151.03923	0.7
151.07524	0.8
152.06171	0.9
153.06989	1.1
154.07767	0.7
159.04449	1.2
159.08012	1.0
159.11679	0.7
161.05952	2.8
163.03918	1.9
163.07552	2.5
163.11179	0.7
165.09142	0.6
166.08702	0.6
171.08093	1.3
173.02408	0.5
173.05891	0.9
173.09639	1.1
174.99176	2.9
175.07564	0.9
177.05481	2.4
187.03876	0.7
187.11148	1.8
188.10757	1.3
189.09100	1.2
191.03375	2.5
191.07047	1.4
205.04987	1.7
205.08517	0.9
205.12216	1.3
215.10689	2.3
215.14206	0.7
221.08249	0.6
233.04390	0.9
233.11511	3.3
233.15227	1.1
234.11397	0.9
251.05232	1.0
251.09203	1.0
251.12982	3.9
251.16478	1.3
252.05341	0.7
252.08679	0.7
267.87271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.70113	0.9
55.05505	2.8
55.69353	0.9
57.07069	2.4
59.05008	1.2
67.05512	5.8
69.07076	10.0
71.04996	1.1
71.06441	1.4
71.39009	1.0
75.37933	1.0
79.05489	2.5
81.07063	15.9
83.08627	3.4
85.06541	12.4
85.56635	0.9
91.05483	2.4
93.07059	7.1
95.04984	1.6
95.08613	16.5
97.06557	2.7
97.10167	2.6
98.98475	6.0
99.08083	2.8
105.07073	4.8
107.08598	13.7
109.06637	1.2
109.10159	10.8
111.08098	3.8
111.11704	1.8
113.06007	22.1
119.08588	4.1
121.10162	13.2
123.08074	2.4
123.11710	26.9
133.10129	4.7
135.11687	8.7
137.09642	1.1
137.13232	2.8
138.28288	1.2
139.11157	1.6
145.10118	1.8
147.11652	2.6
149.09589	1.3
149.13237	5.7
159.11667	2.0
163.11223	2.8
163.14874	2.7
164.11935	1.0
165.12726	1.0
173.13242	1.4
177.16409	2.9
189.16435	6.4
191.18001	6.5
195.13741	1.3
205.15778	1.1
205.19501	2.0
207.17442	10.1
209.19032	5.3
215.17982	2.5
233.18979	16.8
251.20076	100.0
252.20451	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	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03950	2.2
55.01876	2.6
55.05519	11.2
55.17729	1.0
57.07073	3.4
59.04998	1.9
59.65314	1.1
65.03945	2.5
67.05511	32.1
69.03422	4.0
69.07075	15.1
69.12574	7.3
69.12975	2.6
71.04995	13.2
79.05498	21.7
81.03415	1.7
81.07063	46.8
83.04986	3.8
83.08621	5.4
85.06551	4.1
87.08138	1.2
91.05487	18.6
93.07052	35.5
95.04995	7.1
95.08618	43.4
97.06545	5.6
97.10155	3.7
98.98474	100.0
99.08121	6.7
101.55241	1.1
103.05445	1.5
105.07040	54.8
107.04986	2.6
107.08604	46.8
109.06531	6.1
109.10163	32.0
109.10889	1.4
111.08080	5.2
113.09653	1.7
116.99510	3.1
117.07027	5.2
117.61712	1.2
119.04962	1.3
119.08586	39.1
121.06516	4.3
121.10160	21.4
123.04408	1.7
123.08070	4.0
123.11744	8.8
125.06002	1.5
125.09656	2.1
127.07552	1.3
127.11195	4.6
129.23155	1.2
131.08585	10.6
133.10149	7.9
135.08099	6.0
135.11711	14.2
137.06023	2.0
137.09607	3.0
137.13258	3.2
139.07626	1.2
139.11186	2.1
145.06454	1.6
145.10144	13.1
147.08052	2.1
147.11693	56.3
149.09642	4.8
149.13289	5.3
151.03932	2.5
151.11218	2.9
159.11719	9.8
161.09547	1.7
161.13286	6.4
163.11243	5.8
163.14828	1.4
165.12778	24.5
167.10733	1.5
173.09821	1.2
173.13252	16.1
174.99176	1.5
175.14851	3.5
177.05536	1.3
177.09096	1.2
177.12715	2.4
187.11203	1.6
187.14873	4.8
189.16408	2.2
191.07056	3.1
191.10629	4.0
191.14316	3.8
191.17950	4.0
195.13930	1.4
203.07124	2.3
205.12219	1.8
205.15851	2.9
205.19482	2.4
206.55351	1.3
209.15172	1.5
215.10571	1.6
215.17969	18.1
221.08005	2.0
233.11696	2.1
233.15340	4.1
233.19028	31.0
234.19446	2.0
251.06824	1.2
251.10551	3.6
251.12865	2.7
251.16435	3.7
251.20093	64.7
252.20392	3.1
259.66965	1.2
260.14151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67119	0.3
64.32645	0.3
69.08099	2.2
93.07023	0.3
93.40265	0.3
98.98463	7.6
101.00874	1.3
109.31512	0.3
109.76851	0.3
110.05987	0.3
116.98770	0.8
119.01919	5.0
134.99896	1.8
136.06163	0.3
137.02971	1.0
140.98737	2.1
153.00908	0.5
158.99876	6.2
160.00070	0.5
161.01500	0.5
162.99429	0.3
177.00949	59.4
178.01057	3.5
179.01274	0.4
185.01462	1.2
195.01971	0.9
200.02522	0.5
201.00963	0.8
203.02510	28.2
204.02667	2.0
205.00374	1.4
210.99260	1.5
219.02002	11.8
219.03793	0.3
220.02115	0.4
226.04135	0.3
229.00406	9.1
230.00656	0.7
247.01494	100.0
248.01648	5.7
252.11642	0.5
265.94339	0.3
270.02893	2.1
271.03201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67119	0.3
64.32645	0.3
69.08099	2.2
93.07023	0.3
93.40265	0.3
98.98463	7.6
101.00874	1.3
109.31512	0.3
109.76851	0.3
110.05987	0.3
116.98770	0.8
119.01919	5.0
134.99896	1.8
136.06163	0.3
137.02971	1.0
140.98737	2.1
153.00908	0.5
158.99876	6.2
160.00070	0.5
161.01500	0.5
162.99429	0.3
177.00949	59.4
178.01057	3.5
179.01274	0.4
185.01462	1.2
195.01971	0.9
200.02522	0.5
201.00963	0.8
203.02510	28.2
204.02667	2.0
205.00374	1.4
210.99260	1.5
219.02002	11.8
219.03793	0.3
220.02115	0.4
226.04135	0.3
229.00406	9.1
230.00656	0.7
247.01494	100.0
248.01648	5.7
252.11642	0.5
265.94339	0.3
270.02893	2.1
271.03201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	11.4
56.05026	0.3
57.07074	1.2
58.06602	12.6
65.03941	0.4
67.05507	15.5
69.07069	15.2
71.08640	0.4
71.31628	0.4
72.08159	0.7
79.05491	0.9
81.06577	0.7
81.07059	13.4
83.08624	4.4
90.16787	0.3
93.07063	0.5
95.08611	13.4
97.10166	1.8
98.09686	0.9
98.98469	65.2
100.98882	0.4
103.10135	0.3
109.09449	0.5
109.10162	5.9
111.11750	0.4
116.99529	1.7
123.11694	1.6
136.06180	1.2
137.13313	0.3
140.01091	0.6
150.05540	0.5
174.99202	0.7
176.98930	0.7
178.04994	0.4
196.06079	4.1
224.09203	1.3
252.08682	0.6
252.12325	2.4
252.26868	100.0
252.51558	0.3
253.27222	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	253.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23170	0.6
55.01876	19.7
55.05502	1.9
57.03437	3.2
57.07070	0.8
59.58185	0.7
65.03941	2.5
65.44398	0.7
67.05512	3.8
69.03437	1.7
69.07069	2.1
71.05000	3.8
71.30972	0.9
74.92466	0.7
75.04478	1.5
78.12814	0.6
79.05499	3.7
81.03399	2.1
81.07059	4.4
85.02903	1.0
85.06512	0.7
91.05486	25.4
92.05823	1.2
93.07039	3.5
95.04978	4.7
95.08598	1.9
97.06544	1.2
98.98470	50.1
103.05460	3.7
105.06375	1.1
105.07037	14.9
107.04952	1.9
107.08600	2.0
109.02898	1.7
109.10122	1.1
110.07182	1.1
111.04440	1.3
111.08096	0.7
114.10460	0.6
115.05487	3.7
118.04168	4.4
119.04952	37.6
119.08573	2.3
120.08115	0.8
121.02873	0.7
121.06524	2.2
121.08405	0.8
121.10162	1.4
123.04452	3.9
123.08098	1.3
125.02393	1.0
125.05979	0.8
125.09631	1.2
129.07065	0.8
131.04900	1.4
133.06503	14.4
133.10127	1.3
135.04430	1.5
135.11690	0.7
136.05188	3.5
136.06177	1.2
137.05974	2.2
137.09589	1.5
145.10147	0.7
146.03636	13.4
147.04416	62.4
147.08035	1.6
147.11729	1.3
148.04800	0.9
149.05960	1.8
149.09650	1.4
151.03905	1.7
151.07518	0.9
161.05984	57.3
163.03824	1.1
164.04709	3.3
165.06978	1.7
175.07607	1.0
177.05446	1.1
179.07040	100.0
180.07365	2.8
181.06430	1.1
182.07315	0.9
193.06514	1.2
193.08582	2.4
193.10159	1.0
197.11794	0.7
208.09628	1.6
210.06703	1.6
211.09633	2.1
221.05977	1.9
221.09628	1.3
225.09064	1.0
235.09616	1.1
235.13330	1.6
235.16992	1.8
238.06215	1.3
253.08510	4.8
253.10846	5.2
253.12469	1.1
253.14522	1.7
253.17926	1.5
254.10242	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	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.21629	0.4
57.07087	0.7
60.04530	59.2
66.18234	0.4
67.05537	0.4
69.03418	0.8
70.01793	1.3
70.02957	0.5
70.06599	0.9
71.04998	0.9
75.04455	0.4
79.05505	1.0
84.08158	0.4
87.05605	2.6
87.06062	0.4
91.05490	0.9
93.04567	0.5
93.07037	1.2
94.08513	0.5
95.08638	0.5
98.98473	69.4
100.98875	0.9
103.05473	4.6
105.07030	1.2
107.04958	1.4
110.07177	5.0
116.99506	1.3
117.07056	0.5
120.08112	100.0
121.08439	2.5
131.04909	2.7
132.08127	0.9
134.09653	0.4
141.05441	0.5
144.08092	3.1
149.05995	1.9
159.02928	1.0
160.07596	0.5
162.09122	2.6
165.05443	0.4
165.09148	0.6
166.08644	54.8
167.08986	1.1
172.95177	0.5
173.61473	0.4
174.99248	1.2
176.98967	0.9
193.05045	0.5
197.11768	0.8
206.08183	0.6
207.11307	13.6
219.04971	1.9
235.10599	3.3
253.06895	0.6
253.11845	8.0
253.14513	0.8
253.15442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05503	1.5
56.96564	4.9
57.03458	1.0
57.07082	0.9
57.26167	0.7
60.04517	1.7
61.02905	0.8
67.05497	1.0
69.03421	3.1
69.07095	0.9
69.52466	1.7
69.52875	2.1
70.06577	2.9
72.08167	1.5
73.06559	2.4
77.99278	0.7
81.03413	2.0
81.07047	1.1
83.06098	1.8
83.97611	0.9
84.08145	1.6
85.02904	7.5
86.09713	0.8
88.42679	0.7
91.05486	2.1
93.04504	0.9
93.07045	1.9
95.04977	0.9
97.02912	3.8
98.84013	0.8
98.97592	4.8
98.98467	100.0
99.04448	0.8
100.98904	1.0
103.05465	5.4
105.07061	0.7
107.04942	1.0
109.02856	1.7
110.07170	16.1
110.97574	2.8
116.07098	1.2
116.98623	3.2
116.99526	2.3
119.01925	1.1
119.04912	1.9
120.08106	63.2
121.08463	1.4
123.04408	1.0
127.03913	3.0
128.98589	2.8
131.04939	1.0
134.99634	1.7
136.07582	6.2
137.05881	1.0
141.05431	0.8
145.04855	1.0
146.99667	1.8
148.07664	0.7
150.05518	2.2
156.07689	1.0
156.96484	1.2
165.05475	1.5
166.02965	2.3
174.97708	1.8
174.99205	1.0
176.98917	1.8
178.01035	2.2
182.08165	0.9
193.04958	0.9
194.09358	1.0
195.11371	0.8
197.11751	1.4
198.97594	1.0
216.98720	4.7
223.05835	0.9
228.98582	1.7
230.04538	1.0
234.99835	2.1
235.11993	3.8
236.09384	0.8
248.01633	3.6
249.01312	1.7
253.06903	1.1
253.09283	1.0
253.12009	2.4
254.10291	2.4
259.21185	0.9
270.99701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
56.96575	5.0
56.96811	0.9
57.07075	0.8
57.21487	0.9
69.03432	2.8
69.07088	0.9
69.19904	0.8
69.43394	5.0
70.06588	1.4
71.04969	1.6
72.17043	0.9
73.06564	6.6
79.05503	1.7
81.03432	1.3
81.07058	1.8
85.02912	5.6
89.24220	0.8
91.05439	1.1
91.07615	1.1
95.08600	1.2
97.02907	2.4
98.97500	2.8
98.98473	100.0
110.07201	0.8
116.98709	1.3
116.99523	2.3
121.06498	1.1
127.03932	2.1
137.02385	0.8
145.04988	0.9
151.07582	0.9
165.05551	1.3
165.09157	2.9
174.99263	1.3
176.98959	1.1
180.55215	1.2
253.12488	1.0
253.15547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01871	10.0
55.05519	11.1
57.03426	1.8
57.07064	1.8
59.05002	1.7
60.56874	1.1
61.77623	1.4
65.03936	2.4
67.05502	25.9
69.03427	7.7
69.07069	12.3
71.04987	19.0
71.30956	1.9
79.05490	30.5
81.03429	4.3
81.07055	67.1
83.04976	9.2
83.08632	5.7
85.02879	1.2
85.06534	7.2
91.05476	23.3
91.06007	2.1
93.07041	51.5
95.04970	21.6
95.08601	27.2
97.06532	21.6
98.98466	50.3
99.04446	10.1
99.08095	4.1
101.06017	1.6
103.05520	1.3
105.07034	33.9
105.07753	1.7
107.04946	7.1
107.08598	25.9
109.06519	34.7
109.10146	9.5
111.04446	3.0
111.08067	12.8
111.11765	1.2
113.05998	5.8
115.07559	1.4
117.07041	4.0
119.04982	1.9
119.06004	1.2
119.08574	24.3
121.06501	100.0
121.10107	6.7
122.06849	2.0
123.04408	5.6
123.08078	9.0
123.11721	3.6
125.06004	5.1
125.09657	3.9
127.07552	14.9
128.06238	2.9
129.07007	4.1
130.07744	1.4
131.08580	7.9
133.06508	6.2
133.10124	14.1
135.04430	7.9
135.08052	13.7
135.11702	4.5
137.05986	5.0
137.09636	3.8
139.07547	20.1
141.05518	1.9
141.06946	2.2
142.07803	5.9
143.07080	2.1
143.08568	10.0
145.10104	8.1
147.04404	2.8
147.08058	7.1
147.10603	2.5
147.11687	27.8
149.05952	9.4
149.09644	4.3
149.13260	3.0
151.07564	3.4
151.11163	3.1
153.07028	1.7
155.08543	2.7
156.09386	3.8
157.06519	2.3
157.08763	2.6
157.10107	14.5
159.07863	1.5
159.11684	3.9
161.06023	2.0
161.09599	3.0
161.13240	13.8
163.11243	1.8
163.14804	1.5
165.05588	1.6
165.07065	2.0
165.12723	5.0
166.07768	6.6
167.07033	7.4
167.10640	2.8
169.06549	1.4
170.07317	1.4
171.08070	2.1
171.11691	16.9
172.21497	1.2
173.09633	2.8
173.13347	1.6
175.07600	1.6
175.11188	17.6
175.14798	1.9
177.12801	1.9
179.14445	1.3
181.10060	5.8
184.08832	1.9
189.12737	23.5
189.14342	1.6
189.16443	1.8
193.12233	19.0
199.11176	35.7
200.11481	2.5
207.13808	9.3
211.13339	1.8
217.12236	84.1
218.12598	2.7
225.09172	1.2
235.13280	35.0
235.17027	5.3
253.08582	2.0
253.11920	2.4
253.14403	19.6
253.18010	4.2
253.21658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03947	2.7
55.01871	5.3
55.05514	6.2
57.07063	0.8
59.83170	0.8
65.03939	1.6
67.05506	16.4
68.18539	0.7
69.03426	3.7
69.07070	7.3
69.12237	4.1
69.12646	2.2
71.04989	9.0
77.03931	1.3
78.27985	0.8
79.05492	27.5
81.03403	2.4
81.07058	52.5
83.04981	5.8
83.08620	2.6
84.67333	0.7
85.06525	3.3
91.05475	15.5
93.07041	42.6
94.07368	1.4
95.04969	15.5
95.08604	20.5
97.02927	0.8
97.06528	17.1
98.98460	13.6
98.99037	1.3
99.04467	9.2
99.08097	2.3
100.23580	0.9
103.05470	1.2
105.04544	1.0
105.07030	26.8
107.04960	6.8
107.08597	20.8
109.06517	35.2
109.10149	5.0
111.04406	1.3
111.08083	4.8
113.06002	3.0
117.07011	3.3
119.04942	1.8
119.08580	20.4
121.06505	100.0
121.10108	4.1
122.06857	2.2
123.04424	4.6
123.08064	6.2
123.11698	2.0
125.05994	4.6
127.07542	11.3
128.06215	1.8
129.07007	6.3
131.08574	6.5
133.06491	4.9
133.10133	10.0
135.04407	6.8
135.08054	10.8
135.11679	1.1
137.05974	3.1
137.09563	1.8
139.07536	19.7
141.05450	2.7
141.06998	1.4
142.07776	3.9
143.07071	1.3
143.08553	10.0
145.06490	1.0
145.10130	7.7
146.62843	0.8
147.08058	4.5
147.11681	28.5
149.09581	1.7
149.13255	1.1
151.07533	1.9
153.06944	0.8
155.08519	1.7
156.09366	3.3
157.06499	2.0
157.08650	2.2
157.10101	14.8
158.07219	1.1
159.08052	2.2
160.08809	1.5
161.06041	1.8
161.09573	1.8
161.13263	12.2
163.11145	0.9
163.14865	1.4
165.07027	2.0
165.12714	4.3
166.07764	4.9
167.10721	0.9
169.06493	0.8
169.10152	1.0
171.08011	2.3
171.11674	16.8
173.09631	1.9
173.13330	1.7
175.11176	18.5
176.11542	0.8
179.14372	0.8
181.10097	7.1
184.08839	2.9
189.12733	24.6
191.10710	1.0
191.14346	0.9
193.12241	19.2
199.11171	34.3
207.13811	9.1
211.13313	1.4
217.12241	79.0
218.12596	3.0
235.13293	32.7
235.16893	1.5
236.13699	1.9
253.14285	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	253.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87168	1.1
53.03949	3.6
55.01871	5.6
55.05506	4.3
57.03442	2.0
60.04535	1.6
64.98732	1.0
65.03963	1.5
67.05511	7.9
69.00863	3.1
69.01276	8.6
69.03422	4.0
69.34553	1.1
70.17400	0.9
71.01317	1.2
71.04997	65.8
79.05492	15.2
81.03408	4.9
81.07066	6.8
83.04974	4.1
83.08645	1.2
85.02917	6.6
85.06546	3.4
91.05481	17.4
93.07056	6.7
94.24358	1.2
95.04972	8.6
95.08631	1.9
97.02923	2.4
97.06548	2.8
98.98473	100.0
100.98860	1.8
103.05450	3.2
105.07037	10.3
107.04955	4.6
107.08581	3.1
109.02940	1.4
109.06520	4.2
109.10127	1.6
111.04414	1.3
111.08083	1.6
113.06023	2.3
116.99513	2.7
117.07031	4.2
119.04911	1.1
119.08617	5.5
120.08121	4.2
121.02832	1.2
121.06477	2.7
121.10133	2.9
123.04442	2.7
123.08059	2.7
124.07626	1.4
125.09632	3.3
128.06248	3.5
129.06992	4.4
133.06499	1.5
133.10136	3.5
135.08043	1.9
136.06142	1.2
136.07581	1.9
137.05962	1.7
143.08591	1.1
145.06451	2.7
145.10139	2.4
147.04472	1.2
147.08049	15.2
149.06012	1.6
149.07086	1.9
149.09610	2.3
151.03914	1.4
151.07587	1.2
159.11514	1.5
165.09163	2.3
166.03238	2.3
174.99193	1.5
176.99051	1.2
197.11772	1.7
197.70831	1.2
216.88820	1.1
217.09889	1.4
217.12297	2.1
235.13264	3.2
248.13217	1.1
253.06029	3.3
253.11958	1.8
253.14180	2.1
253.17966	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03937	4.4
55.01863	7.1
55.05513	11.4
57.03429	2.2
57.07081	3.0
59.04995	2.6
64.72665	1.6
67.05501	17.9
69.03419	6.5
69.07065	21.5
69.07541	7.0
69.07973	8.4
71.04993	100.0
73.06570	1.5
73.52031	1.5
79.05495	30.1
81.03410	11.5
81.07054	53.6
83.04987	12.6
83.08626	5.4
85.06523	6.6
85.21077	1.5
91.05479	24.5
93.07044	45.5
95.01331	2.9
95.04970	23.4
95.08606	25.2
97.06530	17.4
98.22633	3.6
98.98463	85.1
99.04447	11.6
99.08087	6.3
101.27737	1.5
103.05466	2.7
105.04536	1.7
105.07024	28.1
107.04945	6.5
107.08596	28.7
108.02085	1.7
109.06515	31.8
109.10168	10.7
111.08099	4.6
113.06011	7.0
115.07562	4.5
117.07027	3.7
119.04937	5.7
119.08583	19.7
121.05633	3.8
121.06504	77.1
121.10162	10.2
123.04440	9.3
123.08070	11.1
123.11699	5.8
125.05999	5.2
125.09632	5.6
127.07556	11.2
128.06178	1.6
129.07019	5.3
131.07039	6.4
131.08514	7.8
133.06505	5.5
133.10123	14.5
135.04422	4.8
135.08043	11.7
135.11694	2.4
137.05975	4.3
137.09604	4.4
139.07538	23.2
141.05412	2.0
142.07770	4.5
143.07085	1.9
143.08553	7.5
145.06551	2.1
145.10124	9.7
147.04408	14.9
147.08047	5.9
147.11673	26.3
149.06009	4.9
149.09633	9.9
149.13231	3.3
151.11162	2.1
155.08455	1.8
156.09317	3.3
157.06477	1.8
157.08759	2.4
157.10123	11.6
158.07352	1.5
159.08121	2.8
159.11694	3.0
161.09641	4.7
161.13261	12.1
163.11287	2.5
165.05501	23.2
165.06897	3.0
165.12764	7.8
166.07791	2.7
167.07085	2.0
167.10687	2.1
171.08081	2.2
171.11681	14.6
173.09601	2.7
173.13243	2.4
175.07544	3.4
175.11171	21.5
177.09027	1.9
177.12794	2.2
181.10083	3.5
183.06523	30.1
184.08842	2.1
189.12743	21.9
191.10744	1.8
193.12201	18.5
197.11722	1.9
199.11176	24.5
201.07559	3.6
207.13785	7.7
217.12225	75.0
217.15739	4.0
217.19481	2.1
218.12517	2.4
235.13283	44.7
235.16812	10.3
250.65869	1.8
253.08693	5.7
253.11938	2.3
253.14310	25.0
253.17873	3.5
265.77438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03949	2.4
54.86328	0.8
55.01873	1.9
55.05521	6.0
57.03448	1.3
57.07079	1.1
65.03951	1.5
67.05174	1.5
67.05508	19.9
69.03440	1.4
69.07069	7.6
71.05003	1.6
71.30303	1.3
72.63289	0.7
79.05059	1.7
79.05499	23.8
81.03426	1.5
81.07064	21.9
81.41351	0.8
83.04992	2.5
83.08629	3.1
85.06532	1.4
91.05491	18.7
91.06071	0.9
91.14768	0.8
92.00457	0.9
93.07053	25.6
95.04959	4.4
95.08606	14.4
95.09167	1.4
97.06564	1.8
97.10184	1.8
98.98475	100.0
99.04416	1.0
99.08098	0.9
101.64395	0.8
105.07033	11.0
107.05009	1.1
107.08616	16.0
109.06514	3.1
109.10159	5.5
111.08109	2.3
116.99520	2.3
117.07027	5.9
119.08588	10.3
121.06579	0.9
121.10153	15.4
123.04397	0.8
123.08089	2.6
123.11730	1.0
125.83726	0.7
129.07031	2.3
131.08569	6.8
133.07646	0.9
133.10127	8.2
135.08086	2.1
135.11697	4.3
137.09645	1.8
143.08569	2.5
145.10161	2.4
147.11739	3.0
149.09631	0.9
151.11191	1.2
157.10129	2.8
159.11702	1.5
161.09706	1.1
161.13234	1.5
171.11713	2.6
173.13240	2.3
174.99248	2.0
175.11266	1.0
175.14766	1.6
176.99062	1.5
183.11681	1.6
189.12764	1.1
189.16412	2.7
197.11800	1.8
199.14835	3.5
211.14911	1.0
217.12099	1.0
217.15878	2.4
235.13312	1.1
235.16965	4.6
253.08792	1.3
253.11990	1.6
253.15913	1.0
253.19664	1.7
253.42685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	2,10-Dihydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Peak:m/z	Relative Intensity
53.03932	5.4
55.01868	14.0
55.05509	17.8
57.03438	5.5
57.07059	5.3
59.04997	5.5
65.03928	4.1
67.05502	25.9
68.99771	2.0
69.03433	11.6
69.07071	34.6
70.53079	1.9
70.53419	3.7
71.04990	24.5
73.06554	4.9
79.05492	29.3
79.67171	1.8
80.69596	1.5
81.03414	10.9
81.07056	70.3
83.04978	11.0
83.08617	8.9
84.47306	2.1
85.06541	13.8
91.05482	26.5
93.07044	38.7
95.01333	5.1
95.04967	70.0
95.08601	24.2
97.06531	28.3
97.10130	2.9
98.98465	94.0
99.04437	5.2
99.08089	100.0
103.05426	3.3
105.07031	31.9
107.04958	5.6
107.07944	3.2
107.08598	32.4
109.02895	2.0
109.06522	25.4
109.10152	18.9
111.04450	7.8
111.08069	8.7
113.06016	3.9
115.00531	1.8
115.07562	6.0
117.06999	4.1
119.04929	5.9
119.08582	25.2
121.06503	32.5
121.10150	16.4
123.04408	4.3
123.08072	12.7
123.11648	4.8
125.05993	4.7
125.09604	8.5
127.07552	50.6
127.08458	3.9
127.11184	5.4
129.06990	2.7
129.09102	2.1
131.08521	10.6
133.06497	4.8
133.10129	20.9
135.08040	9.3
135.11702	6.8
137.05968	3.4
137.09619	13.5
139.07536	6.9
139.11176	2.2
142.07748	3.4
143.08551	6.3
145.10112	12.4
147.04430	22.2
147.08035	5.8
147.11708	15.0
149.05962	7.4
149.09624	17.1
149.13306	2.5
151.07498	4.3
151.11209	4.7
153.09044	2.3
157.10121	5.6
159.08041	2.1
159.11736	5.3
161.09637	4.3
161.13237	4.4
163.11195	4.2
165.05505	37.3
165.06990	4.7
165.09138	4.2
165.12761	6.0
167.06966	3.8
167.10689	6.1
169.09998	2.5
171.11684	6.6
175.07524	2.7
175.11195	2.2
175.14845	5.2
177.09143	2.9
183.06516	45.6
183.08142	2.9
189.12753	5.9
189.16385	3.4
191.14348	2.2
193.12282	4.7
199.11194	6.0
199.14902	4.9
201.07607	5.3
210.06691	2.9
216.27979	1.9
217.12233	25.8
217.15775	9.6
221.05969	2.3
223.16890	3.3
225.09038	4.3
235.11020	1.4
235.13280	35.2
235.16858	16.3
253.08406	9.0
253.12154	2.5
253.14369	7.1
253.17824	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49949	2.6
61.02927	7.6
69.74334	12.5
71.01339	7.6
75.04464	16.7
87.04439	5.3
89.02393	3.5
94.10003	2.9
98.98476	8.2
103.03954	19.1
131.03377	7.5
159.02902	57.6
187.02412	3.8
207.31407	2.9
219.04993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.8
64.39630	2.6
64.44576	2.5
68.26378	3.3
69.08608	9.9
69.09029	14.1
71.01354	9.0
71.04982	11.2
71.30313	2.9
75.04481	19.9
81.86267	2.5
87.04467	5.8
97.14700	2.7
98.98476	11.9
103.03946	23.2
120.08108	9.7
121.08475	4.9
131.03429	8.5
132.61226	3.0
159.02899	63.6
159.04208	4.2
187.02406	4.9
208.13309	8.2
219.05028	100.0
219.07181	4.8
252.21246	3.3
254.13850	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	8.0
66.60867	2.4
69.26569	5.4
69.26978	13.5
71.01350	10.4
71.04974	3.7
75.04487	18.9
87.04449	4.6
89.99460	3.1
98.98472	7.2
103.03939	20.8
104.11732	2.5
120.08105	5.0
131.03384	6.0
142.28709	2.5
159.02885	66.1
187.02383	4.3
208.13315	5.2
219.05009	100.0
219.52660	3.1
220.05360	3.3
220.47902	2.3
254.13892	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	92.7
57.03438	7.2
69.03435	12.2
69.61208	28.1
71.01359	50.0
71.95275	7.4
73.42966	6.2
75.04483	13.4
77.44382	6.8
84.96034	13.1
85.02900	10.3
86.09698	22.9
97.02929	8.6
97.59267	6.3
98.97589	86.7
98.98489	31.3
103.03941	25.8
105.83748	6.1
110.97587	12.4
112.99091	7.7
113.02353	6.5
116.98627	57.6
119.01943	9.6
123.05572	62.1
124.99115	6.7
128.98616	9.5
130.93329	18.5
131.03397	46.0
134.99681	15.7
136.06264	14.1
140.43562	6.0
145.04926	16.4
146.99695	10.4
157.04932	23.5
158.99794	9.7
159.02887	100.0
161.43941	6.7
166.02913	16.6
172.94359	27.2
174.97707	17.1
177.01035	15.4
179.00694	13.1
190.95465	36.7
191.05492	13.9
192.98756	8.5
205.02382	7.4
212.04002	32.0
217.98915	12.6
219.01993	8.6
219.02832	6.5
219.04970	58.9
230.05005	9.8
230.98116	18.1
232.96468	7.9
243.05403	8.8
248.99161	43.8
249.01169	10.7
251.07680	15.7
254.05101	16.9
254.10359	18.8
260.08145	11.9
267.00223	20.7
272.95880	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	254.2842
Annotation	(-)-Solenopsin A
Peak:m/z	Relative Intensity
53.03934	0.5
55.05512	14.4
57.07072	4.9
58.06314	0.7
58.06598	12.0
60.14002	0.4
65.11435	0.3
67.05473	0.3
68.59895	0.3
69.07068	16.9
69.21883	0.3
69.45902	1.1
71.08641	2.3
72.08147	1.0
73.50562	0.3
77.98018	0.3
81.07035	0.4
83.08618	10.6
85.10177	1.2
90.99886	0.3
91.05485	3.5
95.08584	0.4
97.10169	6.8
98.98468	4.0
100.17873	0.3
111.04447	0.3
111.11716	1.8
184.20581	2.3
198.22067	0.4
208.06529	0.3
209.11769	1.2
209.53238	0.3
248.15195	0.4
254.10071	0.7
254.28421	100.0
255.28687	2.6
275.04074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12988	0.8
53.03935	1.4
55.01867	3.1
57.03437	16.5
57.24804	0.8
64.69513	0.8
65.03929	1.0
65.52766	0.9
70.80965	1.7
75.04478	8.0
79.05506	1.6
81.94390	0.8
91.05492	14.0
92.06256	1.4
93.07052	3.1
95.04972	2.1
98.98433	1.4
103.05473	48.2
104.05762	0.9
105.03397	1.8
105.07012	3.4
107.05000	1.6
109.06520	3.2
110.03667	13.2
119.04945	15.9
120.05742	3.4
121.06511	7.2
122.03625	2.6
123.04430	37.3
124.05234	7.4
128.06339	1.1
131.04930	100.0
132.05228	2.4
135.04475	1.5
135.08063	3.9
136.05173	1.4
137.05983	33.5
138.06770	25.3
138.07858	1.0
145.06410	1.1
147.04448	2.6
148.05174	2.2
149.05998	2.9
150.06732	1.1
151.07541	14.6
161.06036	1.0
163.07544	29.8
166.06274	32.5
167.06415	0.8
175.07579	2.5
178.06299	1.6
179.07053	3.4
180.07779	1.6
181.08600	25.3
181.10156	1.9
207.10110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01873	3.0
55.05512	1.2
57.03437	16.1
60.04536	1.6
65.03931	1.5
65.15641	1.0
67.05515	1.1
68.05016	1.6
69.07067	2.2
71.04988	2.0
75.04475	7.3
79.05499	3.5
81.07048	1.9
86.09703	2.0
91.05480	19.2
92.06275	1.6
93.07059	4.5
94.30067	0.9
95.04960	2.6
95.08613	1.0
96.04495	1.8
98.98466	16.3
103.05470	53.1
104.05826	1.4
105.03418	2.3
105.04546	1.1
105.07032	2.8
106.04185	1.1
107.04961	1.7
109.06527	2.9
110.03662	17.9
110.07173	2.2
117.07054	1.4
119.04947	19.1
119.08608	1.2
120.05738	1.8
121.06512	10.6
122.03662	3.8
123.04430	43.2
123.08089	1.4
124.05257	7.6
130.06519	1.5
131.04930	100.0
132.05296	2.3
135.04428	2.5
135.08061	3.2
137.05978	35.6
138.06758	27.6
145.06482	0.9
147.04453	2.0
148.05177	1.8
148.35159	0.9
149.05981	3.5
151.07538	12.9
163.07544	32.1
163.08911	1.7
166.06277	29.0
175.07545	1.6
178.06192	1.1
179.07051	3.4
180.07797	1.4
180.89845	0.9
181.05046	1.4
181.08609	21.6
181.10135	1.4
207.10167	1.9
219.10094	1.2
228.10216	1.0
256.13382	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	255.1591
Annotation	Nardosinanol H
Peak:m/z	Relative Intensity
52.03175	0.7
53.03945	1.2
55.01878	2.7
55.05514	2.8
57.03453	0.5
67.05508	7.7
69.03442	0.6
69.07074	22.5
69.45248	1.9
71.05006	2.7
73.06549	3.1
79.05494	4.6
80.02612	0.6
81.03419	12.1
81.07050	2.5
83.04987	2.9
85.06532	1.5
91.05489	3.9
93.07053	8.9
95.04967	3.0
95.08601	1.1
97.06539	7.3
98.23428	0.7
98.98481	5.4
101.24829	0.6
102.77253	0.5
103.05471	0.5
105.03083	0.5
105.07030	2.4
107.04958	2.0
107.08582	2.2
108.02105	9.7
109.02907	2.7
109.10217	0.9
111.04446	0.8
113.06013	0.5
115.07574	14.5
116.43348	0.5
117.07010	0.9
121.06503	2.9
121.07271	0.4
121.10139	1.3
123.04440	6.1
123.08073	6.5
125.02348	1.6
131.08577	1.5
133.10121	1.2
135.04391	1.0
135.08058	3.2
141.09108	1.7
142.51755	0.5
143.08540	0.6
149.05986	100.0
149.09473	2.4
150.06366	2.6
150.99132	0.5
155.03378	0.6
167.07092	1.8
167.08456	0.5
167.84589	0.5
175.11143	1.0
177.09167	2.7
183.11607	0.7
195.10197	1.4
219.13814	31.4
220.14182	1.2
237.14850	21.2
237.18472	1.0
238.15096	0.8
255.06393	0.7
255.10188	1.0
255.15807	4.5
255.21269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
53.01822	4.5
53.85327	3.4
55.01869	9.9
55.05516	26.9
57.03435	14.0
57.07073	10.6
59.05005	5.7
64.21384	3.5
67.05507	21.2
69.03430	7.1
69.07066	29.3
69.15614	34.3
71.04994	13.1
75.04482	16.2
79.05491	15.4
81.07060	100.0
83.04982	12.1
83.08621	10.9
85.06549	13.0
87.04505	4.1
91.05489	20.8
93.07037	38.7
95.04948	8.4
95.08611	78.2
97.06517	9.6
97.10194	5.6
98.98469	13.1
105.07039	32.0
107.08601	36.1
109.06526	10.7
109.10165	24.9
110.35077	3.5
111.08066	8.0
113.06030	9.3
113.09648	4.4
117.07027	5.0
119.08575	20.3
121.10144	26.7
123.08057	9.9
123.11718	13.0
125.09668	8.0
127.11204	5.2
131.07043	4.8
131.08543	9.0
133.10164	22.5
135.11734	19.1
137.09547	6.2
137.13261	39.9
139.11084	3.9
145.10146	21.7
147.11681	8.8
149.05984	7.8
149.09595	7.0
149.13281	8.1
151.11176	9.4
155.10654	5.2
159.10287	4.9
159.11703	17.2
161.13223	26.1
163.14833	21.9
168.91560	3.8
171.11761	4.9
175.14868	5.5
177.16411	5.9
179.14352	5.2
189.16405	7.0
191.17934	6.3
201.16341	25.3
219.17407	32.8
237.18506	18.8
255.10452	6.6
255.17300	5.2
255.19548	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	255.1955
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.05509	6.9
57.03445	3.8
57.07083	1.8
59.04986	1.8
64.20367	1.1
67.05506	10.7
69.07069	14.3
69.17342	10.4
69.17674	2.4
71.04995	23.4
73.06551	1.8
79.05495	10.1
81.07059	24.7
83.04974	1.5
83.08618	3.8
85.06548	3.8
86.85139	1.3
91.05478	12.9
92.73863	1.3
93.07048	44.2
95.04967	9.4
95.08604	19.5
95.47025	1.2
97.06554	6.6
97.10153	2.4
98.98450	3.6
99.08091	5.6
101.05984	1.5
103.05479	1.9
105.07038	32.8
105.22726	1.2
107.08609	21.5
109.06521	3.6
109.10166	24.7
110.64169	1.2
111.08077	2.4
111.11693	1.5
115.07571	1.6
117.07008	2.4
119.08593	17.0
121.06511	2.3
121.10147	100.0
123.08086	2.8
123.11705	9.7
125.09631	9.0
127.11230	6.7
129.07040	1.7
131.08556	6.1
133.10135	98.1
135.11691	8.4
137.06046	1.5
137.09590	1.7
137.13303	1.5
139.11209	2.6
143.10710	7.3
145.10139	10.3
147.11697	15.4
149.13271	12.1
151.11183	21.3
153.12788	2.0
159.11714	18.7
161.13249	5.9
166.21063	1.2
173.13284	1.8
177.09116	1.4
177.12721	1.7
177.16376	2.4
181.08644	1.6
189.16396	30.9
191.17986	2.5
201.16447	8.4
207.17485	9.7
219.13803	1.4
219.17464	13.8
225.18462	2.0
237.18634	6.6
248.82368	1.2
255.17293	1.4
255.19580	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	255.1954
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
53.03944	2.5
55.01865	1.5
55.05510	8.3
57.03444	1.8
57.07076	2.8
59.04999	2.7
65.03932	1.1
67.01842	2.1
67.05500	14.0
67.24720	0.9
69.03425	8.2
69.07063	16.0
71.04992	35.2
71.31004	1.2
73.06568	1.8
73.35400	0.8
74.32489	0.7
77.25353	0.8
79.05492	13.9
79.05909	1.3
81.03413	1.6
81.07053	36.2
82.07362	0.8
83.04980	3.6
83.08613	3.4
85.02912	1.4
85.06551	4.8
85.57310	0.8
86.09662	0.8
87.04458	0.9
89.06049	1.6
91.05479	15.1
93.07042	39.3
94.07373	0.9
95.04963	13.8
95.08604	20.2
97.06529	14.6
97.10146	1.6
98.98444	4.7
99.04448	1.3
99.08096	4.9
101.06007	1.9
105.07025	36.8
107.07860	1.5
107.08588	20.7
107.09289	1.5
109.06528	7.9
109.10149	23.2
111.08090	2.8
111.11726	3.5
113.05979	1.6
115.05405	1.3
115.07590	2.0
117.07021	2.6
119.08574	16.2
121.06531	1.7
121.10139	79.9
122.10513	1.3
123.08051	3.6
123.11720	8.5
125.06074	0.8
125.09620	11.1
127.07574	2.9
127.11163	4.2
128.06223	1.1
129.07025	2.1
131.08574	7.5
133.10126	100.0
134.10478	2.0
135.08063	1.8
135.11700	6.0
137.09647	2.0
139.11191	3.4
141.09108	1.7
143.08600	1.1
143.10648	8.8
145.10112	8.4
147.11673	12.7
149.09589	2.5
149.13255	10.6
151.07568	1.0
151.11183	25.1
151.52106	0.9
153.12856	2.1
159.11687	19.8
161.13269	5.7
163.11206	3.2
165.12819	1.3
167.08527	0.9
169.12318	1.1
173.13229	2.4
175.14822	2.6
177.12724	1.5
177.16434	3.2
189.16357	22.2
191.17969	2.9
195.10226	1.2
201.16368	8.3
207.17380	7.1
219.13989	1.4
219.17450	15.2
225.18562	1.4
237.14801	1.7
237.18488	12.9
238.21648	1.2
255.17538	0.9
255.19566	7.0
256.22620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1956
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.78722	2.2
53.03945	3.4
55.01870	4.2
55.05507	6.2
57.03439	3.5
59.05011	3.2
66.83485	3.1
67.05499	9.8
69.07083	11.9
69.39822	5.0
69.40231	11.9
70.06596	2.8
71.04995	63.9
72.08149	6.1
73.06541	4.0
79.05499	13.1
81.07059	19.6
83.04979	5.1
83.08628	3.0
85.06548	6.8
88.19687	2.3
91.05478	15.6
93.07047	32.9
95.04966	6.1
95.08610	20.2
96.04504	3.9
97.06546	6.0
98.98463	32.7
99.08108	3.6
105.07032	66.9
107.04955	5.1
107.08591	49.3
107.09269	2.9
107.85885	2.4
109.06528	5.2
109.10152	29.7
111.08071	4.7
115.05463	3.1
117.07054	7.5
119.08580	58.5
121.06514	4.3
121.10166	9.9
123.08079	5.0
123.11718	4.3
124.03957	3.7
125.09628	7.7
127.11194	32.5
128.06253	3.0
129.61378	2.6
130.07797	2.9
131.04936	3.3
131.08562	12.7
133.10132	74.2
135.08066	7.6
135.11708	7.8
137.05995	5.0
137.09691	2.7
139.11224	5.4
143.10686	18.4
145.10126	44.5
147.11684	11.1
149.13286	3.3
151.11171	91.3
159.11687	22.0
161.13306	5.0
163.03998	6.4
163.11122	4.3
165.05495	3.4
167.10730	5.0
173.13283	11.4
175.01511	2.4
175.07507	2.7
175.14737	6.2
177.12744	9.7
191.14381	10.8
191.17958	6.9
201.16374	28.7
219.17444	100.0
220.17714	3.8
237.11278	3.2
237.14862	2.9
237.18463	35.7
255.06538	3.4
255.19603	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	255.1955
Annotation	Canusesnol G
Peak:m/z	Relative Intensity
53.03947	4.2
53.04248	3.1
53.09610	3.4
55.01876	6.3
55.05511	31.1
57.03441	11.8
57.07074	12.6
58.29028	3.2
67.05501	31.5
69.03434	7.5
69.07073	28.1
71.04991	12.8
71.31263	4.4
74.96661	3.4
75.04478	22.3
79.05492	18.8
81.07057	86.7
83.04985	14.4
83.08627	15.9
85.06550	12.5
91.05485	13.1
93.07039	43.6
95.04965	11.6
95.08606	100.0
97.06530	20.0
97.07070	3.2
97.10147	5.9
98.98471	14.2
99.08108	8.5
105.07021	36.3
107.08579	40.0
109.06519	14.8
109.10159	38.2
111.08079	8.5
111.11723	6.6
113.06011	13.9
113.09633	5.3
117.07054	5.5
119.08577	30.6
121.10130	30.8
123.08046	11.2
123.11742	11.6
125.09678	6.1
126.40167	3.6
127.07430	4.2
129.07028	3.8
131.07018	5.0
131.08601	11.3
133.10112	16.9
133.56175	3.1
135.11652	21.5
137.09619	12.3
137.12277	6.4
137.13257	85.1
139.11153	6.1
141.09129	7.1
145.10123	14.6
147.11687	7.8
149.05949	5.7
149.09648	5.1
149.13275	7.3
151.11192	15.2
155.10674	4.6
159.11697	15.2
161.13235	29.9
163.11186	10.0
163.14848	28.6
171.11627	4.2
173.13303	3.9
175.14841	6.0
177.12860	3.9
177.16476	8.8
179.14333	8.9
189.16376	5.8
191.17928	11.0
201.16405	31.5
207.17599	5.6
219.13745	5.9
219.17441	43.3
237.18512	20.7
244.06537	3.0
252.38583	3.2
255.11124	5.0
255.13699	4.4
255.17281	7.0
255.19334	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.05034	1.9
57.03432	1.3
59.31987	0.1
60.04525	100.0
60.11210	0.2
61.02929	0.4
61.04863	0.5
61.05123	0.1
69.03432	0.8
71.01357	0.5
71.30707	0.1
72.04517	2.8
72.76533	0.1
72.84714	0.1
73.02922	1.1
74.06079	0.5
78.03455	0.2
79.05523	0.2
80.05031	0.6
83.06108	0.7
85.02905	1.2
86.06065	0.3
86.64166	0.1
87.04424	0.2
90.05553	6.3
91.05463	0.2
93.92080	0.1
96.04494	0.4
97.02888	0.6
97.07658	0.2
103.03932	0.2
103.05449	0.1
105.03397	0.1
105.07018	0.2
107.04963	0.4
107.36561	0.1
108.21141	0.1
109.07647	0.1
111.07442	0.1
114.05531	0.9
115.03917	0.5
115.05468	0.4
118.96879	0.1
121.06432	0.1
122.03661	0.7
124.03951	36.4
125.04317	0.7
127.05032	0.5
127.08678	0.2
131.04926	0.3
132.06575	0.4
133.02843	1.3
133.03844	0.1
133.04033	0.1
133.04965	1.2
133.06506	0.3
133.25623	0.1
135.04359	0.1
137.05974	9.3
138.06346	0.1
139.64882	0.1
143.04901	0.4
147.04338	0.2
149.05948	0.5
151.07491	0.2
152.04625	0.1
155.08153	2.3
158.05994	0.1
159.04430	0.2
160.05136	0.3
161.06012	0.1
162.03117	0.5
163.07536	0.2
165.05449	0.2
167.07054	0.3
171.04457	0.2
175.07532	0.8
176.04784	0.1
177.05470	4.9
189.05460	1.2
190.08612	0.2
191.07024	1.1
193.08578	0.2
196.81068	0.1
202.08662	0.2
203.07010	0.4
220.09686	0.9
221.08049	0.5
238.10745	0.9
256.11752	5.8
257.12225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53315	0.3
55.01881	2.5
56.05035	1.1
57.03436	4.3
59.05004	0.4
60.04527	67.3
61.02914	0.8
61.04877	0.4
69.03429	2.2
69.22782	1.2
69.23203	1.2
71.01362	1.1
72.04504	1.8
73.02915	3.6
74.06081	0.6
78.03509	0.3
80.05016	1.5
85.02901	3.7
87.04478	0.7
90.05556	5.5
96.04477	0.9
97.02868	1.6
98.23402	0.6
98.97611	0.4
108.73869	0.3
113.06087	0.3
115.03262	0.4
115.03916	2.1
119.01909	0.6
123.05585	0.4
124.03955	100.0
125.04310	1.7
128.73029	0.4
129.01836	0.4
133.02864	1.0
133.04979	3.3
137.05978	6.5
143.04840	0.4
149.05933	0.6
155.08150	0.4
165.05408	0.4
170.03069	0.3
175.07527	0.4
177.05461	3.7
189.03973	1.2
191.03769	0.5
191.07051	0.6
221.08119	0.6
238.10812	0.5
251.02666	0.4
256.08182	0.5
256.09000	0.5
256.11774	6.0
256.26151	0.4
257.11783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89679	0.3
55.01881	1.6
55.05515	0.4
56.05035	1.9
56.96565	8.5
57.03434	3.8
59.05000	0.8
60.04528	100.0
61.02935	2.2
65.78551	0.3
69.03418	3.1
70.06600	0.5
71.01363	1.0
71.05004	0.7
71.30000	0.4
71.95271	1.8
72.04520	3.6
73.02925	3.1
74.06062	0.8
80.05003	0.6
81.03430	0.9
84.08151	0.8
84.96068	0.3
85.02909	5.8
86.09718	0.6
87.04443	1.4
90.05560	7.3
91.05481	0.4
97.02885	4.0
98.97587	45.5
99.04470	0.6
101.00854	0.6
101.02395	0.9
107.04949	0.6
109.02869	0.3
110.97553	0.7
112.99127	0.7
113.00876	0.4
114.04425	0.3
115.02438	0.4
115.03906	2.1
115.05434	0.4
116.98625	20.5
119.01882	1.2
122.03664	0.5
123.05556	0.9
124.03957	36.2
124.05873	1.4
124.99173	0.4
125.04312	0.5
127.03902	1.3
128.98618	0.6
129.01825	1.9
130.93320	1.1
131.00157	0.5
131.01872	0.7
131.05565	0.9
132.06528	0.3
133.02863	1.1
133.04962	1.3
134.99667	5.7
135.04390	0.3
137.05975	11.0
143.00151	0.4
143.01891	0.9
143.03404	0.8
145.03386	0.6
145.04993	0.8
147.03061	0.5
149.05894	0.7
153.00711	0.6
153.05798	2.7
153.55833	0.7
157.01332	1.4
157.03462	0.3
158.99641	0.5
159.03120	0.4
159.05014	0.3
161.01265	0.4
161.03128	0.5
161.04486	1.4
161.06586	1.1
162.03261	0.6
162.06372	1.2
163.02856	0.7
163.04407	2.2
163.05701	0.4
165.05537	0.4
167.02939	0.4
169.04446	0.8
170.05072	0.8
171.02815	0.8
172.94400	2.0
173.02940	0.4
174.04527	0.4
175.07587	0.4
176.03374	0.3
177.00699	0.5
177.04045	0.5
177.05482	5.1
178.04990	0.7
189.02510	0.5
189.03967	3.3
189.05493	0.6
190.95384	1.5
190.98598	0.4
191.03841	0.8
191.06966	0.4
200.04330	0.5
201.00667	0.4
203.05496	1.0
203.07162	0.5
214.95410	0.7
219.01677	0.8
220.09592	0.6
221.08162	0.6
224.07971	0.6
232.96390	2.4
233.01324	0.7
237.02785	0.6
238.10619	1.1
250.97440	1.1
251.02396	0.9
256.02881	0.6
256.11780	8.2
256.96487	3.3
257.05124	0.4
274.97513	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	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.05043	2.3
57.03434	3.3
57.27147	0.3
60.04527	100.0
61.02919	0.8
61.04870	0.5
66.87812	0.3
69.03437	2.1
69.59118	0.9
69.59542	1.4
71.01360	1.0
72.04511	2.8
73.02918	3.1
74.06110	0.5
74.84901	0.3
75.66065	0.4
76.99536	0.4
80.05037	1.8
85.02912	2.6
87.04469	0.5
90.05554	7.6
96.04483	1.1
97.02910	1.3
97.09222	0.3
98.22675	0.6
98.97599	0.5
115.03963	1.9
115.05453	0.7
119.01897	0.5
122.03641	0.5
123.05565	0.7
124.03954	79.3
125.04317	1.0
132.02260	0.5
133.02827	1.1
133.04930	2.9
135.04401	0.5
137.05978	8.9
149.05972	0.6
160.05247	0.4
175.07622	0.4
177.05466	4.7
179.23129	0.4
189.05516	0.5
191.07095	0.8
200.31982	0.4
203.07188	0.4
220.09740	0.6
238.10751	0.9
256.11804	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	256.118
Annotation	Radicamine A
Peak:m/z	Relative Intensity
55.01867	0.3
56.05035	1.9
57.03441	0.6
57.28795	0.2
60.04527	100.0
60.40863	0.2
61.04869	0.4
69.08798	1.7
72.04518	3.2
73.02910	0.2
74.06079	0.6
83.06097	0.3
85.02923	0.3
86.06087	0.2
88.66690	0.2
90.05560	8.4
92.59447	0.2
94.04189	0.2
98.97575	0.6
103.05485	0.2
107.04963	0.4
108.40154	0.2
114.05510	0.8
115.05461	0.4
119.04940	0.3
121.06573	0.3
122.03638	0.5
124.03952	5.2
127.04057	0.2
127.05021	0.5
130.36066	0.2
132.06560	0.3
133.02859	1.5
135.04456	0.3
137.05977	9.9
143.04889	0.3
149.05968	0.5
149.82263	0.2
152.13043	0.2
155.08151	1.5
160.05222	0.3
162.03035	0.3
163.07527	0.2
165.05507	0.5
175.07516	0.4
177.03972	0.3
177.05464	4.7
178.05920	0.3
189.05490	0.4
191.06985	1.2
202.08586	0.2
209.63054	0.2
220.09651	0.7
221.08208	0.4
232.79613	0.2
238.10675	1.0
242.24640	0.2
252.48944	0.2
256.11765	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	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03260	0.3
53.03969	0.3
56.05036	1.4
57.47013	0.2
60.04527	100.0
61.04871	0.5
67.05492	0.5
68.98725	0.3
69.03431	0.4
70.06625	0.3
71.30840	0.4
72.04520	2.6
74.06104	0.8
77.00098	0.3
79.05511	0.8
83.06143	0.3
84.04520	0.4
86.09717	0.4
90.05561	5.7
91.05486	0.5
93.07045	0.3
94.06528	0.3
95.06527	0.3
98.97596	1.8
105.07034	0.5
107.04952	0.4
115.05433	0.4
116.98650	1.1
117.66230	0.3
122.03717	0.5
132.06607	1.3
133.02856	1.6
133.06448	0.7
134.99718	0.4
135.04445	0.4
137.05977	10.8
139.45268	0.3
149.06049	1.0
153.40202	0.3
162.03046	0.5
167.07176	0.3
170.09764	0.4
175.07594	0.7
176.04759	0.4
177.05473	5.1
182.09650	0.5
189.05508	1.1
191.07130	0.9
203.07114	0.5
220.09779	1.2
220.20758	0.3
221.08080	0.5
238.10841	0.8
242.64680	0.3
242.74316	0.3
256.11588	6.0
256.15985	0.4
256.26532	0.5
274.97626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56321	0.3
54.68044	0.3
55.01860	0.4
56.05032	1.3
56.96572	0.4
57.03437	0.4
60.04527	100.0
61.04871	0.8
66.68473	0.3
67.05520	0.4
67.16994	0.3
69.15453	2.4
70.06618	0.4
72.04520	2.4
74.06082	0.6
79.05502	0.6
82.75470	0.3
85.86279	0.3
86.09731	0.6
90.05553	6.8
91.05500	0.8
93.07017	0.5
95.08599	0.4
95.49300	0.3
98.09743	0.5
98.97588	1.9
105.07053	0.7
107.04968	0.5
107.08641	0.4
114.04701	0.3
115.05487	0.6
116.98650	1.1
122.03619	0.7
131.05025	0.6
132.06593	0.4
133.02887	1.4
133.06561	0.4
137.05978	9.9
149.06102	0.6
161.05992	0.5
165.05548	0.7
175.07616	0.5
177.05486	5.1
189.05553	1.3
191.07089	1.0
211.07608	0.3
213.05617	0.6
216.30379	0.3
220.09700	0.5
220.20746	1.1
221.08043	0.5
238.10797	0.9
238.21658	2.5
256.07553	0.8
256.11560	5.3
256.15955	0.6
256.22818	0.8
256.26520	0.6
274.97491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.3001
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
50.46417	0.2
53.02709	0.1
53.17943	0.1
55.05531	0.2
57.06793	0.3
57.07077	6.2
57.77330	0.1
58.06602	1.9
58.36163	0.1
58.75803	0.1
60.08167	25.6
61.08513	0.1
66.79526	0.1
71.08640	2.7
73.94082	0.1
77.41994	0.1
85.10187	1.1
98.97611	0.7
116.98635	0.5
134.99683	0.3
137.18787	0.2
149.13641	0.1
172.70168	0.2
256.29993	100.0
257.27795	0.3
257.30325	4.3
274.97433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07914	0.3
54.54948	0.2
55.77000	0.2
55.95408	0.2
56.96566	12.1
60.04527	4.2
61.04875	0.3
65.70844	0.2
69.40801	1.7
71.95271	3.8
80.48946	0.2
81.42061	0.2
85.02881	0.3
90.05545	0.5
97.02892	0.3
98.97582	100.0
99.97915	0.7
110.97584	0.3
116.98622	44.0
117.98988	0.4
125.79189	0.2
130.93279	1.8
134.99654	10.1
137.05954	0.5
138.76947	0.2
140.00171	0.5
148.03870	0.5
153.00664	0.7
154.93315	0.4
156.71962	0.2
161.02974	0.2
163.04353	0.5
172.94344	5.1
190.95416	3.0
208.96429	0.9
214.95361	2.0
222.08179	0.2
232.96451	4.8
233.97006	0.2
250.97552	1.9
254.04144	0.3
256.96423	8.1
257.12061	0.3
274.97498	50.1
275.97839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01856	0.6
55.05496	0.9
56.96558	1.1
57.03437	0.9
58.97869	0.4
60.63058	0.6
62.18739	0.5
62.27247	0.5
65.03943	6.3
67.05501	4.4
69.07051	1.5
69.57106	0.5
70.84979	1.2
79.05490	2.0
81.07053	2.4
82.02943	1.1
83.04973	0.5
91.05483	3.2
92.05009	6.7
93.03378	0.5
93.05783	1.0
93.07042	2.0
94.06576	2.3
95.04967	1.4
95.08588	2.0
98.97592	6.1
103.05442	0.7
105.07036	2.8
106.06557	1.4
107.08581	1.3
108.08107	1.5
109.10146	0.7
110.06037	0.8
115.05447	1.0
116.98622	4.3
117.05764	0.6
117.07014	2.9
118.06572	0.6
119.08585	1.8
120.04460	3.8
121.10141	0.9
122.06033	3.1
124.07594	0.7
128.06232	1.0
129.07047	2.5
130.06520	1.0
131.08588	3.8
132.08055	1.7
133.10149	0.8
134.06010	0.8
134.99669	2.3
135.06818	0.9
135.08069	0.6
135.11674	0.5
136.07550	1.2
141.07008	1.8
142.06602	0.6
142.07767	1.3
143.07356	1.1
143.08542	2.5
144.08063	2.3
144.09135	0.6
145.06393	0.7
145.07628	0.7
145.08942	1.1
145.10123	4.8
146.05971	0.7
146.09688	0.8
147.11674	1.2
150.09082	0.9
154.06509	2.3
154.07668	0.6
155.07332	1.0
155.08534	1.3
156.06859	0.7
156.08096	2.3
157.07651	0.9
157.08900	0.8
157.10107	2.5
158.06026	1.2
158.08408	0.7
158.09663	1.0
159.09157	2.4
159.10400	0.7
159.11647	3.0
160.07576	3.7
161.09566	0.6
162.09180	0.7
163.08638	0.6
165.07077	0.6
167.08571	0.8
168.06851	0.8
168.08104	3.3
169.08862	6.1
169.10187	1.5
170.06084	0.7
170.09651	1.3
171.09169	1.7
171.10457	1.8
171.11687	1.3
172.07571	2.3
172.09938	3.3
173.07045	1.0
173.08411	0.6
173.10786	1.2
173.13248	1.5
174.09177	1.7
174.11478	0.9
174.12857	0.7
175.11293	1.0
176.10696	0.7
182.06058	1.1
183.06772	1.9
183.09155	2.4
183.11697	1.6
184.06201	0.8
184.07719	3.2
184.11201	7.5
185.07069	2.7
185.10719	6.2
185.13206	3.4
186.09296	0.9
186.11484	12.3
186.12857	1.0
187.08623	5.1
188.10732	1.1
189.10217	1.5
190.49519	0.6
194.09618	1.2
196.07613	0.8
196.09962	0.8
197.08374	7.8
197.13306	1.1
198.07709	0.6
198.09308	1.1
199.08540	6.6
199.10275	1.2
200.09412	10.8
200.13121	1.4
201.10167	3.7
201.13896	15.9
202.12311	1.3
203.03363	0.8
209.07025	0.5
211.06778	0.6
211.08575	2.9
211.12323	0.5
212.10710	14.2
213.06606	8.2
213.10133	8.7
214.07468	1.3
214.10802	10.2
224.09489	0.8
225.07928	0.8
227.08136	8.9
227.11731	0.9
228.08932	11.5
229.09831	20.7
229.13345	62.2
230.13722	1.6
239.11766	1.4
239.17938	2.2
240.10223	3.3
241.09698	10.1
242.10497	11.6
257.04443	1.9
257.12851	100.0
258.13248	3.2
274.97540	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03942	0.9
55.05502	1.0
55.25503	0.6
57.03434	0.8
65.03940	4.7
66.79837	0.6
67.05511	3.4
67.15951	0.7
69.13863	6.1
69.56831	0.6
73.20996	0.6
79.05486	2.3
79.31051	0.7
81.07047	2.4
82.02914	0.9
83.04910	0.7
91.05478	2.4
92.05016	6.8
92.67744	0.7
94.06585	2.2
95.04990	1.2
95.08591	1.8
98.22541	0.7
98.97588	7.2
105.07021	2.2
106.06557	1.4
108.08125	0.9
109.10162	1.0
115.05461	0.8
116.98603	4.0
117.07025	1.9
118.06564	0.7
120.04475	3.4
122.06013	3.0
124.07600	1.6
127.01835	0.7
128.06227	1.4
129.06989	3.1
130.06522	1.9
131.07349	1.2
131.08568	4.5
132.08154	1.1
133.10095	1.1
134.06041	1.2
134.99629	1.5
135.06877	0.7
135.08182	0.7
136.07599	1.4
141.07036	1.5
142.06598	0.8
142.07779	1.6
143.07361	0.8
143.08540	2.4
144.08189	1.3
145.07565	0.9
145.08907	1.1
145.10124	3.0
146.06064	0.7
147.11653	1.1
154.06497	2.8
154.07684	1.2
155.07324	1.6
155.08507	1.4
156.08083	2.5
157.10127	2.3
158.05995	1.4
159.09177	1.4
159.10481	0.8
159.11717	2.6
160.07590	2.8
167.08601	0.9
168.06825	1.1
168.08069	3.7
169.08879	4.9
169.10153	1.3
170.09656	1.6
171.09161	2.6
171.10443	1.5
171.11751	1.2
172.07616	1.7
172.09941	3.5
173.08376	0.8
173.13206	1.3
182.05984	1.7
183.06804	2.3
183.09219	3.1
184.07640	5.3
184.11220	9.3
185.07074	3.6
185.10741	5.1
185.13274	1.8
186.11522	12.0
186.13060	0.9
187.08678	2.2
188.10716	1.2
195.09225	0.8
196.07545	1.1
196.09904	1.6
197.08379	8.7
198.09262	1.6
199.08577	8.4
199.14838	1.2
200.09435	19.1
200.13132	1.3
201.10117	4.0
201.13869	16.2
202.12256	1.0
203.03394	1.3
211.08685	3.9
211.12259	1.2
212.10727	15.4
213.06606	11.4
213.10147	12.2
214.07336	2.0
214.10858	9.8
224.09474	1.5
227.08171	11.1
228.08888	26.5
229.09805	27.9
229.13348	55.9
230.13734	1.7
239.11964	3.7
239.17987	2.0
240.10333	4.6
241.09703	21.7
242.10504	43.4
243.10878	1.4
257.04385	2.3
257.12860	100.0
258.13168	2.5
274.97614	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	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
56.96552	0.8
57.03442	5.1
60.04522	1.2
69.03414	0.5
69.26183	2.8
75.04476	2.1
79.05497	4.5
81.07067	0.5
91.05485	1.8
94.04198	1.1
95.04974	1.0
98.97586	6.4
103.05471	3.8
105.07034	32.8
106.07339	0.6
107.04955	2.5
109.06530	1.1
115.05468	0.8
116.98632	3.4
119.05032	0.6
121.06474	1.0
122.03645	4.3
123.60561	0.5
124.05222	0.6
133.06494	47.8
134.06853	1.1
134.99622	0.6
135.04437	0.8
135.08022	0.9
135.69885	0.5
137.05978	100.0
138.06380	2.0
141.07034	0.7
150.06818	0.6
151.07561	1.0
163.07523	3.0
165.07008	0.9
165.09120	23.1
166.09531	0.5
175.07582	3.8
177.09111	1.5
181.08606	1.6
183.10236	4.0
203.10663	1.4
209.11716	0.9
221.11719	1.7
267.00961	0.5
274.97580	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.91085	1.6
54.82816	1.6
55.05516	13.2
56.96560	1.8
57.07074	2.8
60.08165	8.6
66.16838	1.7
67.05505	24.4
69.07057	5.1
69.53440	1.4
71.08627	2.3
79.05497	12.3
80.60249	1.6
81.07061	13.8
83.08618	3.2
83.48057	1.4
91.05487	19.6
93.07061	9.9
93.58440	1.6
95.08599	16.1
98.97583	11.1
103.05483	3.0
105.06484	2.1
105.07042	21.0
107.08585	6.5
109.10152	5.6
116.98618	7.2
117.07018	23.8
119.08584	18.4
121.10143	5.7
128.06200	2.8
129.07007	11.0
130.07782	4.3
131.08572	36.8
132.08987	1.6
133.10143	12.6
134.99623	3.7
135.11720	1.9
141.06975	4.3
142.07784	3.6
143.08597	13.9
145.06471	6.6
145.10127	72.5
147.08049	3.1
147.11691	10.2
155.08562	4.4
157.10117	13.0
159.08014	1.7
159.11708	19.4
161.09547	3.3
161.13321	2.4
169.10159	11.3
171.11699	17.7
173.09630	2.7
173.13293	8.8
173.50563	1.5
175.11197	3.1
178.36830	1.7
183.11688	10.2
185.13286	3.6
187.11188	14.0
187.14883	5.2
197.13289	7.8
199.14912	1.6
201.12727	2.4
211.14868	2.0
213.16348	2.6
215.14288	2.5
229.19525	40.9
230.19864	2.1
239.17931	15.7
256.30038	12.2
257.19009	100.0
257.30328	37.1
258.19409	3.5
258.27917	3.6
274.97470	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03938	1.4
55.01860	1.6
55.05512	9.0
57.03424	2.0
57.07086	1.1
65.03943	0.7
65.61775	0.5
66.57998	0.5
67.05507	23.4
69.07069	5.3
70.86723	1.2
71.04973	1.1
77.03957	0.7
79.05492	13.2
81.07057	15.1
83.04993	1.1
83.08630	4.3
85.06536	1.7
91.05479	20.4
93.07041	11.6
95.04967	2.0
95.08618	12.8
95.09229	0.9
97.06550	3.3
97.10147	1.1
98.22607	0.6
99.08100	0.9
103.05437	0.8
103.15282	0.5
105.07036	17.0
107.04975	1.3
107.08601	7.4
109.06501	2.0
109.10164	5.5
111.08086	1.2
115.05451	3.9
116.06241	2.0
117.07024	27.1
119.08589	12.5
121.06509	1.4
121.10139	5.1
123.08078	2.0
123.11677	1.2
125.09663	1.0
128.06216	5.6
129.07013	15.1
130.07814	5.2
131.08572	52.9
132.08896	1.1
133.06505	4.1
133.10149	8.4
135.08087	1.7
135.11710	2.1
137.09599	1.8
141.06995	6.1
142.07825	3.8
143.08565	18.3
144.09303	2.1
145.06482	4.8
145.10126	71.5
146.10489	2.2
147.08014	3.7
147.11696	5.8
149.09610	2.4
151.11148	1.4
153.06987	0.8
154.07765	1.9
155.06042	0.9
155.08566	8.6
156.09308	1.3
157.10133	20.4
159.08087	4.0
159.11700	24.3
160.12076	1.2
161.09637	4.6
161.13239	3.1
163.11201	2.1
165.12730	0.7
167.08563	0.9
168.09335	2.2
169.10127	14.5
171.10199	1.0
171.11694	18.7
173.09636	4.1
173.13263	12.8
175.11200	5.3
175.14845	1.5
177.12715	1.5
179.14258	0.7
181.10080	1.0
182.10934	1.6
183.11700	15.0
185.13225	5.3
187.09680	0.7
187.11217	8.4
187.14839	1.7
189.12733	2.4
195.11694	1.1
196.12503	0.8
197.13272	12.2
198.13907	0.9
199.14822	4.2
201.12721	3.6
201.16524	0.8
211.14874	4.0
213.16406	4.1
215.14346	3.7
215.17940	2.5
229.15991	1.0
229.19482	5.4
239.17949	29.6
240.18225	1.4
257.19003	100.0
258.19455	4.9
273.97552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
52.72664	0.8
53.03936	1.2
55.05515	5.1
57.07064	2.9
60.80532	0.8
64.88025	0.9
67.05514	5.3
69.07077	5.5
69.86796	1.7
69.87171	2.7
70.06610	1.2
71.04998	4.9
71.08635	1.0
72.08154	3.0
79.05492	5.9
81.07062	5.7
83.04985	2.9
83.08623	1.8
85.06561	3.6
88.07622	2.9
89.07961	0.9
90.09190	2.6
91.05484	9.0
93.07044	10.8
95.04949	3.5
95.08613	11.2
97.10180	1.2
98.22620	0.9
98.97590	5.0
99.08099	1.0
102.09171	1.6
103.05417	1.6
105.07035	17.2
107.08597	12.1
109.06519	4.8
109.10181	7.9
111.08073	1.9
113.09643	0.8
115.05444	1.0
116.98630	3.4
117.07015	3.6
119.07762	1.5
119.08584	19.9
121.06487	1.5
121.10149	42.9
123.08086	3.8
123.11726	2.2
128.06215	2.1
129.07024	5.2
130.07791	1.8
131.08574	14.9
133.07617	1.5
133.10126	9.3
135.08081	8.0
135.11684	3.1
137.09637	4.9
141.06987	1.8
142.07790	6.5
143.08565	17.1
144.09352	2.8
145.06516	0.8
145.08994	1.4
145.10132	20.4
147.08054	1.5
147.11670	3.0
149.09596	2.8
151.11206	1.0
153.07014	1.0
154.07730	1.2
155.08543	5.7
156.09349	5.3
157.10132	27.0
157.11421	1.3
158.10988	6.6
159.08043	1.5
159.11694	31.2
160.12033	1.0
161.09657	1.7
161.13254	1.3
163.11192	3.3
167.08546	1.0
168.09341	2.9
169.10143	11.3
170.10901	1.8
171.11702	13.7
172.08826	1.1
172.12512	1.4
173.09663	3.4
173.13260	29.4
174.14053	5.4
175.11191	2.6
175.14827	3.3
177.12750	2.1
181.10103	1.7
182.10890	2.1
183.11693	12.8
184.12479	4.5
185.13290	4.7
187.11189	8.1
187.14764	4.9
189.12743	1.5
193.30103	0.8
195.11702	2.7
197.13269	9.4
198.14038	1.2
199.11069	1.3
199.14825	32.7
200.15144	1.2
201.12747	11.2
209.13263	3.0
210.14046	0.9
211.14778	2.3
213.16389	12.7
214.13493	0.9
214.17123	2.9
215.14430	4.0
215.17963	10.6
224.15582	3.1
227.14238	1.0
239.17969	16.0
242.16623	1.1
257.19009	100.0
257.26657	17.7
258.19318	3.7
258.27948	16.5
272.32684	0.7
274.97522	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	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.69744	0.3
57.07078	12.0
58.06608	2.3
58.74446	0.3
62.05804	0.5
62.06094	8.0
69.07062	0.5
70.56277	0.8
71.08636	5.9
72.08151	0.8
73.89852	0.3
74.00571	0.3
85.10189	2.8
90.09206	0.5
91.52767	0.3
91.61252	0.3
173.02721	0.4
208.18332	0.4
214.71764	0.3
240.26877	4.0
258.27930	100.0
259.28278	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	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89040	0.2
54.98648	0.3
56.96300	0.6
56.96569	8.2
59.32904	0.2
71.20698	0.4
71.95262	2.3
98.97587	100.0
99.97901	0.8
100.97195	0.7
100.98000	0.4
106.89361	0.2
109.07204	0.2
116.98626	40.1
117.98916	0.4
134.99663	8.5
140.00166	0.7
153.00771	0.8
169.33240	0.3
174.97639	0.4
177.68011	0.2
181.97327	0.4
216.98723	0.5
234.99747	0.5
240.98627	3.1
258.99765	38.1
259.99884	1.5
265.97134	0.3
277.00815	45.2
278.01077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05045	0.8
56.96570	12.5
57.03409	0.4
60.04523	1.0
61.02943	0.3
63.43526	0.3
64.91739	0.3
69.03431	0.9
69.07081	0.8
70.06593	1.3
70.75120	0.5
71.04986	0.4
71.95276	3.3
72.08157	2.5
81.03442	0.3
84.04512	1.8
84.08146	15.5
84.28838	0.3
85.02904	1.1
85.06561	0.4
86.09710	6.0
97.02893	4.6
98.97589	100.0
99.97928	0.7
100.97188	0.9
100.97992	0.6
101.00900	0.7
101.10773	0.4
109.97284	0.3
110.07176	0.4
111.05618	0.4
112.11335	0.4
113.00881	0.4
116.07067	0.5
116.98630	55.4
118.98251	0.5
119.01917	1.9
128.98521	0.4
129.10251	3.2
130.05019	2.0
130.08647	1.1
131.01939	1.8
133.03458	1.1
134.99664	18.9
139.03925	0.5
140.00204	0.7
143.01781	0.4
143.11798	0.8
147.07655	2.1
147.11304	1.7
149.02959	0.3
153.00760	2.0
157.03514	0.4
157.06441	0.3
158.01234	0.5
161.03003	0.5
169.06187	0.5
171.01173	0.7
173.02943	0.5
174.97705	0.8
175.00912	1.0
177.02504	0.5
181.97247	0.3
189.02498	0.4
193.01955	0.5
197.63835	0.4
199.02206	0.6
199.07492	0.4
213.02429	0.8
213.05566	1.1
216.98714	0.7
217.01941	0.8
231.06567	0.4
235.03137	0.7
240.98672	3.1
242.41725	0.4
243.17068	1.0
250.05870	0.4
258.99786	43.1
259.03833	2.8
259.12744	0.7
259.99799	1.7
260.19714	1.5
276.98053	1.9
277.00827	52.9
277.10764	0.8
278.00964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.3
56.96568	8.6
61.91754	0.2
67.47385	0.2
70.55569	0.7
70.98153	0.3
70.99853	0.7
71.95266	2.3
80.80077	0.3
84.08145	1.2
86.09704	0.4
93.47880	0.2
97.02904	0.5
98.97588	100.0
99.97916	0.9
100.97187	1.8
100.98001	0.9
101.00884	1.6
110.97578	0.3
115.02518	0.3
116.98631	41.0
117.99000	0.5
118.98209	0.5
118.99056	0.6
119.01929	3.0
127.77241	0.2
133.03461	1.5
134.99658	10.2
137.02977	0.3
146.02725	0.4
146.99669	0.4
151.04567	0.3
153.00717	1.0
158.99626	0.4
161.02951	0.4
172.94337	0.3
174.97603	0.3
175.00891	2.8
177.00720	0.5
189.02448	1.7
198.97682	0.3
199.02339	0.5
212.75877	0.3
216.98677	0.7
217.01945	2.8
234.99564	0.5
235.03130	1.8
240.98642	2.8
258.99780	36.1
259.03922	4.8
259.99945	2.0
276.97824	3.4
277.00815	46.6
277.98166	0.4
278.00986	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13668	1.3
51.84889	1.4
53.34555	1.4
56.96548	4.2
69.03409	5.3
70.93197	2.1
72.08150	1.9
84.08120	6.0
86.09721	3.4
89.03889	2.5
95.01358	1.8
95.05044	1.3
97.02886	11.9
98.06043	1.4
98.97585	21.3
100.97150	1.7
111.04526	1.4
114.99255	1.4
115.05412	4.9
115.96013	1.5
116.98602	12.9
117.03358	1.8
118.98231	1.6
123.04439	1.4
129.06969	4.5
134.99635	3.4
135.04427	11.7
136.99158	1.3
137.02272	1.5
139.05414	2.4
141.06987	2.7
143.04904	3.1
149.02293	1.5
157.06450	5.7
157.07611	1.8
161.06024	12.1
163.03877	2.5
167.04880	1.4
169.06493	2.5
171.04396	2.8
173.05971	1.7
175.03906	1.7
175.07590	2.2
185.05965	7.5
189.05493	7.4
200.04659	3.5
201.05309	1.6
203.06992	2.1
213.05457	33.8
215.07002	1.8
217.04886	5.9
231.06544	21.6
241.04890	3.0
258.99728	6.8
259.04163	100.0
276.97922	2.6
277.00699	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	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76467	0.2
54.98632	0.2
56.96564	9.5
57.97340	0.2
58.96156	0.3
58.99845	0.2
60.87438	0.2
61.04938	0.2
62.11037	0.2
66.15894	0.2
69.51173	0.6
69.51571	0.4
70.98136	0.3
70.99852	0.5
71.95264	2.7
82.99864	0.2
84.08145	0.8
84.16666	0.2
86.09708	0.3
89.00889	0.3
97.02888	0.5
98.97581	100.0
99.97923	0.7
100.02169	0.3
100.97178	1.5
100.98008	0.7
101.00877	2.2
115.02451	0.2
116.98618	44.9
117.98952	0.4
118.98190	0.7
118.99040	0.6
119.01908	3.6
128.98624	0.2
131.02008	0.2
133.03476	1.7
134.99654	11.3
137.02983	0.4
139.00044	0.4
140.00197	0.6
140.98589	0.2
149.02994	0.6
151.04509	0.5
153.00716	0.9
156.99849	0.6
158.01297	0.3
158.99640	0.4
161.02911	0.5
171.01443	0.5
172.94385	0.2
174.97656	0.3
175.00882	3.3
176.01154	0.2
177.00742	0.3
181.97491	0.4
189.02448	2.0
193.01944	0.8
199.02269	1.2
213.05397	0.3
216.98672	0.6
217.00305	0.2
217.01933	4.1
217.03857	0.4
218.01985	0.3
225.96404	0.2
234.99529	0.4
235.03023	2.6
240.98642	3.4
241.03177	0.3
258.99774	36.9
259.03995	7.2
259.99838	1.6
277.00797	47.4
278.00983	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	259.0603
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01861	3.2
56.96555	2.8
57.03412	0.8
57.56687	0.8
60.25108	0.8
67.01884	0.8
68.94987	0.7
69.03432	6.6
70.05820	0.8
70.06180	2.3
70.06590	0.8
71.01351	0.8
72.08139	0.8
78.23766	0.7
79.05489	1.7
84.08164	3.9
84.88730	0.7
85.81888	0.8
86.09694	2.0
89.03918	7.1
91.05478	3.5
95.01340	1.2
95.04944	0.8
97.02898	5.7
98.06052	1.7
98.97580	14.5
100.97177	1.5
100.97949	0.9
103.05419	0.8
105.03413	1.0
107.04938	2.1
115.05454	10.6
116.98611	8.0
117.03377	6.4
117.07047	0.7
118.98210	1.2
121.02855	0.7
123.45300	0.6
128.06213	2.9
129.07002	12.7
131.04930	0.9
131.08540	1.3
133.06500	1.7
134.99626	3.3
135.04416	33.6
137.02307	0.9
138.05473	2.2
139.05420	7.6
141.06990	12.6
143.04932	8.0
143.11792	1.4
145.02876	1.6
145.06418	2.2
147.04500	1.6
147.08086	1.6
147.83643	0.7
149.02299	0.7
155.04895	1.4
157.06491	14.8
160.05249	1.3
161.05986	26.5
162.06387	0.8
163.03874	8.9
167.04918	4.4
169.06493	7.6
171.04431	5.9
173.05968	3.7
175.03915	1.6
175.07523	5.5
183.04324	0.8
184.05113	1.2
185.05972	18.3
187.03882	2.6
187.07510	5.3
189.05475	14.4
190.05879	1.0
195.04453	2.7
197.06000	4.0
199.03894	2.4
200.04681	10.5
201.05450	5.4
203.06990	6.4
213.05463	100.0
214.05864	4.0
215.03510	0.7
215.07031	10.6
217.04953	10.6
223.03925	1.5
231.06529	54.0
232.06941	2.2
241.04961	8.6
250.29716	0.9
259.00156	4.6
259.04184	21.1
259.06146	17.0
260.19800	1.0
276.97916	1.2
277.00784	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	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01863	2.3
55.05509	1.3
57.03432	4.6
57.07075	1.3
57.15050	0.3
58.02940	0.4
61.02913	1.0
67.05502	1.5
69.03429	71.0
70.03766	0.6
71.01353	1.3
71.04996	2.4
71.31126	0.4
73.02919	3.7
79.05489	2.0
81.03415	9.1
81.07051	1.5
83.01328	0.9
83.04980	2.2
84.04470	0.4
84.08145	5.4
85.02906	13.7
85.06524	1.1
87.04466	1.3
91.05470	1.5
93.07034	0.6
95.01316	0.5
95.04952	1.5
95.08630	3.2
97.02890	100.0
97.06500	0.6
98.03235	1.1
99.04455	4.6
100.11263	0.4
101.02382	1.3
103.03932	0.9
105.07013	0.9
107.04948	1.1
109.02877	6.5
109.06519	0.4
111.04434	1.8
113.02351	0.5
115.03941	2.8
119.08569	0.4
120.08085	0.4
121.02832	0.3
121.06525	0.8
123.04418	1.2
123.08067	1.0
125.02332	1.5
125.05988	0.6
125.09629	0.7
127.03915	14.1
129.07014	0.8
129.10236	1.6
130.08627	0.8
131.04912	0.6
131.08514	0.5
133.04956	0.7
133.10199	0.3
135.04398	1.1
137.02303	0.5
137.05972	0.8
139.03902	0.9
139.11104	0.4
145.04948	3.5
147.04410	0.5
147.58234	0.4
149.02470	0.5
149.05960	0.8
151.03938	0.7
152.05833	0.4
153.05399	0.5
153.06953	0.6
159.04451	0.4
161.06009	0.6
163.03889	0.8
169.04962	0.9
170.07130	0.6
171.07980	0.4
175.03998	0.4
175.07469	0.5
175.71109	0.4
177.05421	0.7
179.01463	0.3
193.04987	2.7
199.05965	0.7
203.06883	0.5
205.04897	0.6
211.06006	0.7
213.05342	0.8
213.08997	0.4
223.05968	1.1
231.06381	0.7
241.06985	1.5
241.10614	0.4
259.08115	1.6
259.10492	0.6
259.13455	0.8
259.16464	1.1
259.20670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06950	0.4
53.03956	2.7
54.87528	0.4
55.01885	2.7
55.05519	0.9
57.03444	4.9
59.05008	0.6
61.02926	2.4
67.05508	1.4
69.03434	70.7
69.63296	1.2
69.63686	0.7
70.03757	0.4
71.01367	1.6
71.05008	3.5
73.02922	3.4
79.05499	1.6
81.03426	10.3
81.07058	0.9
83.01356	1.3
83.04993	2.4
84.08145	1.5
85.02909	14.1
85.03426	0.7
85.06552	1.0
87.04466	1.4
91.05474	1.6
93.07053	0.9
95.01315	0.7
95.04961	2.3
95.08630	0.8
97.02898	100.0
98.03221	1.3
99.04467	5.2
101.02387	1.1
103.03963	0.7
105.07048	1.0
107.04958	1.1
107.08589	0.5
109.02879	6.2
109.06545	0.5
109.10188	0.6
111.04471	2.2
115.03920	3.2
115.05438	0.4
121.02879	0.6
121.06535	0.9
123.04433	2.3
125.02374	2.0
125.05943	0.6
125.09653	0.8
127.03922	13.9
129.06947	0.5
131.04968	0.5
131.08514	0.4
133.04982	0.9
133.06535	0.5
135.04436	1.4
137.02408	0.6
137.06007	0.6
139.03897	1.4
145.04959	3.2
149.02185	0.5
149.05989	0.9
151.03928	1.0
163.03943	0.8
165.05502	0.7
169.04967	1.5
177.05553	0.8
177.57452	0.4
181.04959	0.6
183.06497	0.5
193.04956	2.6
195.06438	0.5
199.06017	1.1
203.08633	0.6
211.06004	0.6
211.13173	0.7
213.05428	0.7
223.06018	1.1
241.07039	2.4
259.08084	2.5
259.10718	0.5
259.13254	0.9
263.06552	0.4
271.42523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05514	12.7
56.05033	0.3
67.05513	0.2
69.03434	0.5
69.07057	0.3
70.06594	0.5
71.30937	0.2
76.40486	0.2
79.02506	0.2
79.05486	0.2
81.03416	0.2
81.07052	0.2
83.04984	100.0
84.05319	1.4
84.08152	0.8
85.01166	0.2
85.02894	1.1
86.09720	0.4
91.05505	0.3
93.07062	0.6
95.01335	2.6
95.08567	0.2
97.02895	0.8
98.09700	0.8
98.97578	0.5
99.00826	0.5
99.04454	0.2
101.06006	0.9
102.05569	0.2
105.07010	0.2
106.14655	0.2
107.04981	0.3
108.08132	0.2
109.06504	0.3
111.56829	0.2
113.02380	0.2
113.04185	0.4
116.01690	0.3
116.98624	0.4
121.02863	0.3
121.06549	0.2
123.08151	0.3
128.06160	0.3
129.10287	0.2
135.04448	0.3
137.06046	0.3
141.01823	6.7
149.02385	0.6
149.06023	0.9
156.08415	0.4
156.10239	0.7
163.03949	0.3
167.07077	0.6
177.05537	0.5
179.07025	0.3
181.06445	0.2
185.06017	0.3
195.06584	0.4
202.07860	0.2
205.05090	0.5
213.05472	0.7
213.07401	0.3
223.06020	1.1
227.07224	0.3
231.06447	0.4
258.99887	0.2
259.05746	0.4
259.08020	1.5
259.11093	0.8
260.08740	0.2
270.01080	0.2
277.00687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01870	0.5
55.05514	10.0
56.05033	0.6
57.03437	0.3
57.85376	0.2
58.99577	0.2
66.23235	0.2
69.03426	2.9
70.35188	0.3
70.35511	0.4
71.01363	0.4
73.02920	0.3
79.05527	0.2
81.03419	0.7
83.04980	100.0
84.04513	0.2
84.05303	1.2
84.08127	0.5
85.02889	1.8
86.09657	0.2
93.07044	0.5
95.01332	2.2
97.02886	4.5
98.09708	0.8
98.97589	0.5
101.06008	0.9
105.07012	0.4
107.04990	0.2
113.04272	0.2
116.01665	0.4
121.06528	0.3
123.04549	0.3
127.03927	0.5
135.40273	0.2
136.14093	0.2
137.05980	0.3
141.01826	6.5
149.06003	0.9
156.08405	0.6
156.10225	0.8
167.07060	0.5
177.05522	0.6
179.06995	0.3
205.05000	0.5
223.06026	1.3
243.18237	0.2
259.05814	0.3
259.08191	1.7
259.11160	0.6
259.13474	0.3
260.19730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05519	0.4
56.05030	1.2
56.96545	0.4
57.03444	2.0
60.04525	1.8
61.02914	0.8
61.04887	0.5
62.50065	0.3
67.05509	0.7
67.06411	0.3
68.90839	0.4
69.03430	13.5
69.10606	2.9
70.06596	2.2
71.01337	1.0
72.08149	0.5
73.02910	1.0
81.03400	1.9
82.05354	0.4
83.04964	0.6
83.06100	1.2
84.04507	3.9
84.08148	15.8
85.02906	8.6
85.06549	0.5
86.06091	0.3
86.09709	4.7
87.04462	1.3
87.10074	0.5
91.05470	0.4
97.02895	100.0
98.03248	1.3
98.97591	1.7
99.04451	0.8
101.00883	1.0
101.10748	0.4
104.10740	1.0
105.11089	1.7
109.02893	1.6
110.07173	0.7
111.04440	0.6
111.05576	4.5
111.07520	0.5
114.05544	1.8
115.03938	1.5
116.98643	1.2
119.01887	1.1
121.01658	0.4
124.03847	0.4
124.99976	0.4
127.03952	2.3
128.07074	0.9
129.10229	3.1
130.05048	1.9
130.08664	1.6
133.01662	0.7
133.04984	1.3
134.99655	0.4
139.03886	0.8
145.05022	0.9
147.07652	2.0
147.11273	2.4
157.03461	0.5
157.06110	1.5
161.03024	0.6
169.05269	1.1
170.05206	0.4
173.02966	0.5
185.07654	0.3
187.05666	0.4
199.06114	0.4
213.05426	0.5
213.12389	1.0
213.14279	0.7
229.06680	0.6
231.06691	0.4
236.10477	0.3
243.17061	0.8
258.99817	0.8
259.12711	5.4
259.15247	0.6
260.19614	2.3
264.06445	0.3
277.00781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1331
Annotation	Mucidin
Peak:m/z	Relative Intensity
50.86842	2.1
53.03947	8.6
55.01881	13.3
55.05520	11.0
57.03432	2.9
57.07081	2.5
65.03938	10.3
67.05515	34.4
67.82715	2.7
69.03419	13.1
69.07069	25.4
71.04996	6.1
71.31187	2.1
79.05497	31.1
81.03416	3.6
81.07068	14.1
83.04955	2.7
85.06522	2.6
89.03917	13.5
91.04963	4.8
91.05489	53.9
93.03403	15.4
93.07052	10.6
95.04970	14.5
95.08617	10.5
96.95558	2.2
97.02899	3.4
97.06535	21.1
99.40074	2.1
102.60474	2.2
103.05467	18.4
105.03421	2.9
105.07034	34.1
107.04954	4.9
107.08591	6.8
108.59724	2.4
108.61794	2.3
109.06531	3.7
109.10157	5.8
115.05460	37.2
117.03353	12.6
117.07024	15.0
119.04978	3.1
119.08578	10.0
121.06538	5.3
121.10133	6.1
123.04480	2.5
123.08065	2.2
125.09613	2.4
128.06227	100.0
129.01831	3.2
129.07019	40.2
130.07816	6.2
131.04955	13.4
131.08591	9.2
133.06512	12.4
133.10138	9.3
134.03648	4.6
135.04408	21.6
135.11737	3.2
141.06999	30.0
142.07809	19.6
143.04982	4.6
143.08569	42.2
145.02893	13.5
145.06503	35.5
145.10138	6.7
147.08109	3.9
147.11720	9.5
149.13278	3.7
151.07590	3.3
152.06245	7.1
152.90717	2.6
153.06975	6.8
155.04892	2.5
155.06030	9.1
155.08578	10.8
156.09352	14.3
157.06490	11.3
157.10115	7.9
158.07278	13.3
159.11705	6.7
163.03912	69.8
163.14851	2.6
165.06993	20.6
166.07762	9.2
169.06506	9.7
169.10199	3.3
170.07327	2.8
171.08063	44.9
171.11757	5.9
172.08586	2.8
173.09624	2.9
173.13272	4.1
175.14752	3.9
181.10086	3.0
183.08044	4.5
184.08861	9.0
189.09010	3.0
199.11180	85.1
201.12769	2.6
201.16347	4.2
213.16446	3.4
217.04985	5.5
217.12277	11.6
241.15790	3.0
241.19467	4.6
259.10037	12.6
259.13202	37.9
259.16956	9.9
259.20557	18.9
259.24295	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	2.2
54.25191	0.9
55.01868	3.5
55.05514	11.5
57.03416	1.2
57.07081	7.4
65.03963	1.1
67.05505	22.1
69.07068	10.1
71.04995	1.6
71.08635	15.0
79.05497	18.2
81.07062	20.7
83.04983	1.2
83.08621	7.2
85.06527	1.6
90.99754	0.9
91.05481	34.7
93.07045	15.7
95.04993	1.7
95.08044	1.2
95.08612	16.0
97.05993	0.9
97.06526	6.1
97.10162	1.8
99.08097	13.1
103.05453	2.6
105.07034	78.9
106.07328	1.9
107.04957	2.9
107.08590	9.1
109.10155	3.2
111.08088	4.5
115.05440	2.8
117.07029	25.6
119.07780	1.3
119.08592	17.9
121.06492	3.4
121.10174	5.6
123.08089	2.5
123.11788	1.0
125.09637	1.1
128.06221	6.5
128.73508	1.1
129.07008	18.9
130.07793	2.0
131.08566	22.8
131.09509	1.9
133.06519	2.4
133.10136	16.8
135.08073	4.7
135.11687	4.6
137.09593	1.1
137.13153	0.9
141.06987	1.0
142.07761	2.2
143.08563	27.1
144.09190	0.9
145.10120	32.1
147.08095	4.7
147.11693	27.6
148.11949	1.3
149.09631	3.4
149.13269	2.8
151.11168	2.0
157.10144	13.9
159.11703	11.9
161.09669	3.4
161.13258	33.7
162.13652	1.1
163.11174	4.8
163.14902	0.9
165.12750	1.2
165.23772	0.8
169.10107	0.9
170.10822	1.2
171.11697	17.5
173.13266	19.0
175.11189	8.1
175.14835	10.4
177.12753	4.1
185.13272	17.9
187.14832	3.3
189.12764	7.3
191.14394	1.1
199.02925	1.0
199.14801	14.0
201.16351	1.4
203.14282	2.7
213.16429	2.5
215.17963	2.2
217.15984	1.3
231.17430	1.4
231.21104	4.1
241.17073	2.0
241.19514	36.6
242.19882	1.5
259.20578	100.0
260.20932	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05495	5.4
67.05495	5.8
69.03403	1.2
69.07074	18.1
69.07431	2.5
71.04993	12.2
75.94984	1.1
79.05486	2.9
80.55451	1.4
81.07048	10.7
83.04976	2.5
83.08610	5.3
85.06546	14.7
91.05472	4.9
93.07034	8.7
95.04981	2.4
95.08612	11.3
97.06527	2.2
97.10127	2.4
105.07034	14.9
107.08592	9.9
109.06528	3.3
109.10172	10.9
111.08078	5.0
117.07020	4.8
119.07785	1.7
119.08591	26.8
121.10165	7.4
123.08067	1.6
123.11704	16.9
126.44717	1.3
130.07797	1.6
131.08583	9.8
133.10126	18.0
135.08044	6.4
135.11690	2.8
137.09637	2.3
142.07767	1.9
143.08554	3.4
145.10127	18.1
147.11697	9.8
156.09354	2.3
157.10152	9.3
159.11707	18.7
160.12469	1.3
161.09668	1.9
161.13252	16.9
163.11211	3.9
163.14821	2.2
170.10846	1.7
171.11682	9.5
173.13292	5.7
175.11148	4.5
175.14832	55.4
176.15462	2.7
177.12694	2.8
185.13261	12.4
189.12723	2.1
189.16414	2.8
190.13469	1.8
191.14246	1.8
199.14848	4.3
201.16377	19.9
203.14294	7.2
215.17937	4.1
217.19527	2.9
241.19527	14.9
259.20584	100.0
260.20926	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	259.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.1
57.07047	3.1
67.05490	11.6
68.99783	4.5
69.07073	25.0
71.04984	16.0
71.32079	4.9
74.57703	2.9
75.69556	2.9
79.05481	6.5
81.07074	15.3
83.04987	3.5
83.08603	4.7
85.06547	15.0
89.36386	2.5
91.05465	10.1
93.07025	13.7
95.08608	16.0
105.07038	27.9
107.08611	18.7
109.06512	6.9
109.10162	11.6
111.08095	5.5
117.07006	9.3
119.08588	43.8
121.10161	11.4
123.11688	18.3
128.06311	3.7
129.01825	11.8
130.07805	3.5
131.08569	12.4
133.10149	29.7
135.08075	11.6
135.11688	6.9
137.09602	4.5
142.07767	4.2
143.08542	8.2
144.09294	4.4
145.10109	21.7
147.11694	19.8
157.10123	13.9
159.11725	26.6
161.13252	24.0
171.11650	16.2
173.13249	10.0
175.14830	57.2
175.16234	5.3
176.15384	3.6
185.13306	12.1
189.12674	4.6
189.16426	5.5
199.14851	5.0
201.16406	19.7
203.14336	5.5
210.99855	3.1
215.18080	4.0
217.19511	3.2
241.19589	19.0
259.20599	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.00301	0.9
53.03941	1.4
55.01862	2.8
55.05513	9.7
55.63503	1.0
57.03418	1.2
57.07085	5.8
60.33798	0.8
61.25861	0.9
65.03932	1.3
66.20150	1.0
67.05178	1.4
67.05509	20.7
68.06676	0.9
69.03423	1.2
69.07071	9.4
71.04977	1.7
71.08592	1.8
79.05498	21.1
81.03418	1.3
81.07062	20.3
83.04977	1.8
83.08623	4.9
85.06535	2.1
86.09711	1.1
91.05484	28.6
92.05820	1.1
93.07048	22.5
93.26059	0.9
94.07352	1.0
95.04976	3.6
95.08042	1.4
95.08614	18.2
97.06549	2.6
97.10155	1.3
99.08102	1.6
103.05473	1.5
105.07038	43.8
106.07372	1.0
107.04958	1.9
107.08589	9.4
109.06527	2.2
109.10162	6.1
111.08062	2.1
115.05407	2.4
117.07030	13.5
119.08588	21.2
121.06503	3.5
121.10143	7.5
123.08068	1.2
123.11719	1.3
128.06219	3.2
129.01863	1.2
129.07024	18.2
131.08574	16.2
133.06493	5.7
133.10139	15.5
135.08031	2.7
135.11699	3.6
136.54588	1.0
136.79578	1.2
137.09590	2.0
140.44321	0.9
141.07008	1.2
142.07791	3.4
143.08578	18.5
145.10138	10.4
147.08028	6.5
147.09058	1.0
147.11703	16.0
149.09590	2.6
149.13268	3.9
151.11220	1.6
157.10121	17.4
159.11690	7.4
161.09662	3.0
161.13274	17.2
163.11189	1.6
163.14784	1.7
168.89931	1.1
168.96603	1.1
171.11705	18.4
173.13261	8.7
175.11185	6.0
175.14812	8.3
177.12769	3.6
183.22128	1.1
185.13248	12.1
187.14850	2.0
189.12735	8.9
189.16435	1.5
190.43611	1.0
191.14368	1.4
199.14868	7.6
201.16469	1.9
203.14317	2.4
213.16449	1.7
215.17995	3.4
219.56537	1.0
231.17584	1.3
231.21149	8.2
241.19528	25.6
242.19833	1.4
259.20587	100.0
260.20883	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	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.95845	0.9
53.27735	0.6
54.09273	0.7
56.05037	5.7
56.96569	1.0
59.66624	0.7
64.72616	0.9
65.62919	0.9
69.07064	2.5
69.70659	4.2
72.08160	2.0
83.06106	47.6
84.04509	63.5
84.08147	55.6
86.09709	100.0
98.97590	8.0
101.07146	5.8
102.96895	1.0
113.07171	1.4
116.98638	4.8
120.97895	1.0
129.06596	5.0
129.10236	8.5
130.08659	5.0
132.10210	27.6
134.99696	1.0
141.06639	1.3
143.11809	2.9
144.06607	1.1
146.01733	0.8
147.07634	1.6
147.11272	8.5
157.13370	10.0
171.11311	1.8
185.12888	2.0
196.14462	8.2
197.12871	28.5
198.11278	1.1
214.05682	1.2
225.12299	2.8
233.08139	1.1
242.15004	52.3
243.13390	25.2
243.17107	2.9
259.99832	1.4
260.16315	1.9
260.19727	9.7
261.03070	1.1
278.01016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	9.1
56.96566	9.5
57.03440	0.8
60.04527	1.4
60.95829	1.3
64.63792	0.8
67.05496	1.7
67.91150	0.7
69.03432	1.0
69.07072	4.4
69.15911	4.6
70.06604	1.3
71.95280	1.1
72.08147	1.9
76.43159	0.7
81.03434	1.4
83.06108	54.8
84.04508	72.1
84.08147	100.0
84.79026	0.7
84.96040	1.1
85.02927	1.2
85.04874	0.8
85.08467	1.1
86.09710	97.5
87.10033	1.2
97.02908	1.6
98.97588	35.2
99.97928	3.1
101.07149	6.6
101.10810	3.5
102.96855	4.0
109.02923	1.4
110.97579	1.7
116.98631	24.1
117.98957	2.9
120.97946	3.5
123.04455	2.2
128.98634	1.2
129.06606	5.9
129.10239	17.2
130.05017	1.7
130.08646	8.8
131.04958	1.0
132.10214	24.8
133.50050	0.7
134.99663	10.5
138.98933	1.3
140.00272	0.9
140.25842	0.7
141.06618	2.1
143.11871	0.8
144.06573	1.1
144.10182	1.1
146.99696	1.0
147.07736	1.8
147.11284	14.2
151.03877	2.5
152.10736	1.0
153.00621	0.9
154.01796	0.9
155.04877	0.9
157.13359	7.3
158.99698	1.6
161.12846	1.3
170.99710	1.3
171.11298	1.0
177.00822	1.8
185.12895	1.9
189.00633	0.8
196.14481	8.1
197.12862	30.3
198.11227	1.5
199.99931	1.0
201.00746	1.7
213.00945	1.0
214.15463	0.9
215.44682	0.9
219.01859	2.2
225.12337	2.3
232.62827	0.8
237.02873	2.5
241.98943	1.2
242.15002	53.4
243.13367	22.9
243.17131	4.4
259.99933	9.5
260.05667	1.6
260.09125	1.2
260.16953	1.5
260.19690	16.1
260.95844	0.9
260.99701	3.9
261.02979	4.8
261.05606	1.5
278.01013	14.6
278.97073	4.7
279.00659	4.1
279.03815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.37756	0.2
56.05033	3.1
56.96565	0.3
58.06609	0.3
67.05502	1.1
68.41004	0.2
69.03432	0.7
69.07069	1.8
69.60715	0.9
70.03802	0.3
70.06593	1.0
72.08148	0.5
79.67661	0.2
81.03419	1.0
81.04523	0.4
83.06109	1.8
84.04510	5.3
84.08146	100.0
84.74602	0.2
85.02908	1.0
85.06543	0.5
85.08467	1.3
86.09708	18.2
97.02888	4.8
97.06553	0.3
98.03223	3.4
98.97635	0.4
98.98469	1.6
99.04446	0.3
101.07158	0.6
101.10795	2.5
102.05571	0.3
102.09184	0.3
109.02851	0.4
114.05531	0.5
129.10242	13.5
130.05011	5.6
130.08647	6.4
131.11801	0.3
132.10201	0.7
134.65150	0.2
141.10226	0.3
147.07648	7.2
147.11292	10.5
148.06023	0.4
148.11658	0.3
152.14365	0.3
197.12805	0.8
197.16470	0.6
226.14410	0.5
229.03145	1.3
237.02751	0.3
242.14967	1.1
242.18597	0.9
243.13353	0.6
243.17036	7.1
244.17407	0.3
260.11017	0.4
260.13388	0.5
260.16397	1.2
260.19693	16.0
261.03412	0.3
261.05838	3.8
261.08896	0.5
261.14566	0.4
261.19864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1968
Annotation	Lys Leu
Peak:m/z	Relative Intensity
55.05505	0.4
56.05035	3.0
56.96560	0.5
60.48854	0.2
60.88732	0.2
67.05507	1.0
69.03425	0.5
69.07062	0.9
69.13100	0.5
69.13494	1.7
70.06595	0.5
70.16025	0.2
72.08160	0.3
79.64422	0.3
81.03421	0.5
81.04533	0.3
82.06541	0.3
83.06104	0.6
84.04511	2.8
84.08144	100.0
85.02915	0.8
85.06554	0.7
85.08467	1.3
85.74770	0.2
86.09705	12.9
97.02889	3.0
98.03222	3.2
98.23365	0.5
98.97580	0.5
98.98490	0.6
99.05581	0.3
101.07111	0.4
101.10776	2.7
102.09175	0.4
102.60950	0.3
109.02898	0.3
112.07599	0.3
114.05519	0.3
116.07135	0.6
116.98559	0.4
127.03974	0.3
128.98576	0.3
129.10239	12.6
130.05002	3.8
130.08649	6.3
132.10199	0.5
132.53703	0.3
132.64301	0.2
141.10155	0.2
146.97720	0.2
147.07657	4.7
147.11285	10.3
197.12926	0.3
197.16461	0.9
213.57835	0.2
225.15919	0.5
226.14371	0.5
229.03227	0.9
242.18582	0.7
243.13245	0.4
243.17033	7.0
251.94731	0.2
260.15796	0.5
260.16660	0.8
260.19684	16.0
261.03271	0.4
261.05817	3.5
261.08948	0.4
261.14548	0.4
261.20068	0.3
269.48929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.076
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
53.03941	2.0
55.05494	1.0
55.87078	0.7
56.96562	6.2
65.03936	1.2
67.05503	5.4
68.99789	7.8
69.03413	1.5
70.06584	1.8
70.40878	1.5
70.41223	1.1
71.04986	0.6
72.08144	1.0
79.05491	1.7
81.03426	4.5
81.07039	0.9
83.04977	3.0
84.04492	2.7
84.07691	1.0
84.08148	13.0
84.96033	0.8
85.02878	1.5
85.08466	2.8
86.09695	10.0
87.10030	0.9
93.07052	0.9
95.04968	9.8
98.97583	7.9
102.96890	2.5
103.05481	7.0
107.04282	1.2
107.04967	22.8
109.02879	3.4
110.03646	1.1
111.00809	2.1
111.04427	1.5
115.05458	0.7
116.98612	5.4
117.07062	0.8
120.08146	3.7
120.97897	1.8
121.02909	0.9
121.06528	0.9
123.04439	72.0
127.03921	10.8
128.06195	1.0
129.06973	1.4
129.10275	2.6
130.06543	1.0
130.08597	0.8
131.03992	1.4
131.04935	19.8
131.08568	1.0
132.10175	2.1
133.10512	0.9
134.99660	1.2
135.04428	10.0
136.05183	3.1
137.02367	1.6
138.98914	1.0
139.03903	2.6
141.07007	4.3
145.06517	1.8
147.04404	1.0
149.00381	0.7
149.02371	3.1
149.06004	9.4
150.03134	1.2
151.03917	100.0
152.04735	4.9
153.05396	1.2
158.99695	0.9
159.04424	8.8
159.08110	0.9
169.00131	0.8
169.06439	3.7
173.06062	4.4
174.02318	1.2
175.07567	1.5
177.00815	1.1
177.05469	7.9
187.07581	2.6
189.00697	1.0
191.06998	1.3
192.03271	1.9
197.05980	7.1
197.07602	1.1
201.05556	2.2
215.07027	6.2
219.01804	2.0
219.06488	2.5
225.05461	3.4
237.02917	1.7
243.06573	5.8
244.17393	1.2
260.19791	1.0
261.07648	46.0
261.12231	1.9
261.22311	0.9
262.07883	1.7
278.96841	3.1
279.00381	0.8
279.06479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
55.75920	0.3
56.05037	1.1
56.96300	0.4
56.96569	6.0
60.95852	0.3
69.07059	1.6
69.28790	1.8
70.06622	0.6
71.95267	0.6
71.99447	0.2
72.08157	0.8
82.99884	0.3
83.88422	0.2
84.04510	8.1
84.08147	9.8
84.96029	1.1
85.02917	0.4
85.04870	0.2
85.07970	0.5
85.08482	3.9
86.09711	100.0
87.09566	0.4
87.10033	2.0
94.32785	0.2
95.46835	0.3
98.97590	20.0
99.97923	0.5
100.97208	0.7
100.97986	0.5
101.00880	1.3
102.05547	3.3
102.96883	2.4
110.97558	1.3
116.98631	11.4
117.98981	0.4
119.01903	2.1
120.97902	1.5
124.68092	0.3
128.98621	0.8
129.10258	1.3
130.05008	4.3
130.08662	0.7
130.10570	0.7
131.00223	0.4
131.01929	0.5
131.05394	0.3
133.56636	0.4
134.99680	3.8
137.02972	0.4
138.98940	0.5
140.00192	0.3
140.98630	0.6
143.00151	0.9
143.01886	0.3
146.99673	0.6
147.07698	0.5
147.11311	0.6
148.06050	18.5
148.07953	0.7
148.11642	0.7
150.05850	0.5
152.98593	0.4
153.00757	0.4
158.99706	1.5
161.01305	0.6
161.03050	0.4
167.08154	0.4
167.81395	0.3
169.01112	1.0
169.56009	0.3
170.99657	1.0
171.50571	0.3
173.01422	0.3
173.02959	0.7
177.00928	3.9
177.20235	0.3
178.00999	0.4
189.00754	1.0
201.00894	1.4
201.03865	0.4
211.02141	0.3
213.08852	0.3
215.13896	0.5
217.04109	0.8
219.01891	7.2
219.69785	0.3
220.02162	0.8
225.00815	0.4
229.03183	2.5
234.99805	0.4
237.02837	1.4
242.98529	0.4
243.02057	2.8
243.04794	1.2
243.13513	0.9
244.13417	0.3
244.17270	0.3
250.39050	0.3
259.06680	0.9
260.95938	0.5
260.99725	5.5
261.03076	24.9
261.05872	25.6
261.09222	1.5
261.14407	6.9
261.20068	1.7
262.03253	3.0
262.06122	0.6
262.15054	0.6
268.07126	0.6
271.83322	0.3
278.96906	2.5
279.00650	7.1
279.03906	1.0
284.04642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
56.05044	6.5
56.96567	7.4
60.13935	0.8
60.14731	0.9
60.95863	1.2
64.00024	0.9
67.05518	1.2
67.67808	0.8
69.03429	1.0
69.07066	1.2
69.41257	1.9
69.41650	4.4
70.06608	3.3
71.95267	1.5
72.08160	3.7
79.05519	0.9
81.03428	2.2
84.04510	100.0
84.08150	9.5
84.96049	1.2
85.02908	3.8
85.08491	3.5
86.09710	91.6
87.10052	3.5
93.07080	1.0
97.99199	2.0
98.06065	1.6
98.97588	14.5
102.05544	11.5
102.96883	4.0
107.04945	1.1
110.97620	1.2
115.05384	1.0
116.00237	1.3
116.98627	9.5
120.97899	4.9
123.04427	4.2
128.98647	1.8
129.06656	3.6
129.10280	1.8
130.08650	1.0
132.10210	44.1
134.99657	5.6
138.98950	1.8
139.03928	0.9
141.06638	3.1
143.00162	0.9
143.11775	1.3
144.06573	1.1
144.12221	1.6
147.04501	1.0
147.11282	1.5
149.06044	1.0
151.03915	6.8
158.99654	2.0
161.01233	1.5
162.07651	1.2
170.99709	1.4
173.01263	1.6
173.05980	1.6
177.00763	1.9
179.46510	0.8
185.32076	0.8
189.00824	2.2
193.16640	0.8
197.12866	52.4
201.00789	1.2
201.05531	1.4
211.44011	0.9
215.07164	1.6
215.12015	0.9
216.07655	1.1
217.97539	0.9
219.01859	1.9
225.12341	4.4
237.02908	2.4
243.06618	1.2
243.13409	39.4
244.13708	0.9
244.17468	1.0
260.95715	1.5
260.99884	1.4
261.02982	2.2
261.05545	1.9
261.07697	3.5
261.12418	1.3
261.20065	1.7
262.15054	1.9
278.96896	7.6
279.00174	1.9
279.03622	1.3
279.06537	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01604	0.4
51.02371	0.7
51.90410	0.4
53.03943	2.8
55.01873	1.1
55.05512	14.0
57.03440	1.0
57.07075	4.1
65.03954	1.7
66.11557	0.4
66.53040	0.4
67.05508	41.8
69.07069	12.9
69.56596	0.8
69.56937	1.9
71.05016	2.5
71.08639	1.1
75.06794	0.4
77.03931	1.0
79.05497	62.4
80.05842	0.4
81.03446	0.6
81.07059	46.8
83.04986	1.2
83.08620	7.1
85.06548	3.9
91.05483	33.4
92.06303	0.4
93.07048	79.2
94.07375	0.8
95.04975	5.7
95.08611	36.4
96.08979	0.8
97.06541	3.1
97.10162	2.7
98.23343	0.5
99.08090	3.3
105.04536	1.7
105.07034	20.5
107.04974	0.7
107.08597	47.9
108.08909	0.7
109.06532	2.5
109.10159	13.9
111.08076	2.8
111.11765	0.6
113.09654	1.8
117.07008	7.0
119.06067	0.8
119.08582	15.9
119.09890	0.6
121.10148	38.9
122.10471	0.8
123.08084	2.0
123.11716	3.9
125.09624	0.7
129.06999	0.7
131.08572	15.7
133.10135	13.1
134.27734	0.5
135.08109	0.7
135.11699	35.2
136.12029	1.0
137.09624	2.2
137.13277	1.6
145.10133	14.2
146.42142	0.4
147.11687	11.2
149.09633	1.2
149.13263	25.2
150.13579	0.5
151.11198	1.2
151.14886	0.6
153.12776	0.7
159.11703	8.6
161.13258	10.8
163.11218	1.1
163.14815	15.7
164.15207	0.6
165.12762	1.7
173.13281	9.6
175.14818	3.0
177.16388	4.6
179.14345	1.5
187.14830	7.1
189.16397	0.6
191.14386	0.8
201.16423	3.2
205.15857	0.9
215.17987	1.4
217.19630	0.8
219.17497	0.8
233.22697	0.9
243.21088	27.4
244.21458	0.9
261.22144	100.0
262.22455	3.8
264.53427	0.4
273.99121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01866	1.1
55.05280	0.9
55.05516	12.3
57.03436	1.3
57.07082	3.8
57.99850	0.6
58.45180	0.6
65.03929	2.0
67.05507	42.5
69.06724	1.0
69.07072	13.7
69.67574	1.5
69.67966	1.7
71.04983	2.0
71.08627	1.5
71.37049	0.6
77.03919	1.3
79.05497	59.2
81.07061	45.6
82.07375	1.0
83.04993	0.9
83.08612	9.0
85.06519	3.1
85.10149	0.9
91.05486	31.8
92.05773	0.8
93.07049	78.8
94.07368	0.9
95.04970	5.0
95.08609	36.6
97.06522	2.7
97.10165	2.3
99.08115	3.8
103.05470	0.7
105.04524	1.7
105.07037	21.9
107.08599	51.3
109.06504	1.9
109.10158	14.1
111.08074	2.6
113.09655	1.0
116.06219	0.7
117.07019	7.1
119.08585	15.0
121.10146	42.6
123.08080	1.2
123.11697	4.9
125.09709	1.0
130.07777	1.1
131.08585	15.0
133.09204	1.2
133.10141	15.0
135.11700	34.6
136.12057	0.8
137.09612	1.4
137.13271	1.0
145.10130	17.1
145.18098	0.6
147.11693	10.1
149.13268	26.1
151.11147	1.1
151.14809	1.8
159.11691	9.2
161.13274	10.5
163.11230	0.9
163.14830	17.7
168.08620	0.7
173.13278	10.5
175.14812	4.8
177.16357	4.1
179.14252	0.7
187.14828	7.3
201.16429	2.8
205.15887	0.8
215.17982	0.9
217.19600	0.8
219.17540	0.8
229.59985	0.7
233.22650	1.2
243.21091	26.5
244.21500	1.2
261.22150	100.0
262.22473	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03947	2.6
55.01866	0.8
55.05241	0.7
55.05508	12.4
57.03422	1.2
57.07082	3.8
59.05008	0.5
65.03941	1.6
67.05504	39.8
69.06726	0.9
69.07069	12.1
69.14472	3.2
69.14885	1.1
71.04984	2.1
71.08623	1.1
77.03909	0.7
79.05491	52.1
80.05832	1.0
81.07056	43.5
83.04978	1.3
83.08127	0.7
83.08614	6.6
85.06540	3.4
91.05480	26.7
93.07043	62.4
94.05054	0.5
94.07376	1.1
95.04977	4.8
95.08605	32.1
97.06520	2.0
97.10168	3.6
98.23337	1.3
99.08082	2.3
105.04529	1.0
105.07031	18.5
107.08591	46.2
109.06521	2.0
109.10152	15.1
111.08066	2.6
113.09604	0.8
117.07009	5.8
119.08584	14.0
119.09423	0.8
121.06496	0.7
121.10140	38.7
122.10442	0.9
123.08063	1.2
123.11706	4.6
125.09573	1.0
127.11120	0.6
129.06981	0.7
131.08563	14.0
133.10123	12.2
135.08081	0.7
135.11693	32.6
137.09613	1.6
137.13258	1.1
139.11130	0.5
145.10114	12.1
147.11684	10.6
149.09596	0.8
149.13251	24.8
151.11172	1.3
151.14833	0.5
159.11690	10.3
161.13269	11.1
163.14819	15.8
165.12755	1.3
167.14288	0.7
171.11621	0.9
173.11888	0.8
173.13272	9.3
175.14812	4.2
177.12833	0.7
177.16354	3.4
179.14296	1.4
187.14828	7.5
189.16351	1.2
191.14241	0.8
201.16345	2.5
205.15874	0.8
215.17928	1.0
219.17419	1.4
233.22607	1.3
243.21074	24.9
244.21440	0.7
261.22134	100.0
262.22452	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01843	0.8
55.05514	14.7
57.03437	1.7
57.07085	3.8
59.31109	0.6
65.03946	1.7
67.05507	40.3
69.07066	11.1
69.80066	2.6
71.04994	2.6
71.08636	1.4
73.65611	0.6
77.03928	1.2
79.05496	58.8
80.05824	0.8
81.03432	0.6
81.07060	49.5
83.04981	1.0
83.08623	7.6
85.06541	3.8
90.73753	0.7
91.05481	28.8
93.07046	82.8
94.07355	1.2
95.04975	4.1
95.08609	36.2
97.06538	3.7
97.10164	2.4
99.08076	3.6
105.06303	0.6
105.06443	0.4
105.07033	19.1
107.08594	45.4
108.08908	0.8
109.06525	2.1
109.10151	14.6
111.08095	3.3
113.09666	1.6
117.07013	6.5
118.11475	0.6
119.08588	15.4
121.10148	40.0
123.08035	1.0
123.11732	4.3
125.09619	0.9
131.08569	14.8
131.09489	1.0
133.10127	13.5
133.11067	1.1
135.08008	0.7
135.11697	36.3
137.09616	1.6
137.13234	1.8
139.11160	1.2
143.56366	0.6
145.10130	14.0
147.11688	12.6
149.09618	0.9
149.13257	25.3
149.14471	1.3
150.13475	0.7
151.11241	0.8
153.12776	1.1
159.11703	11.0
159.56676	0.7
161.13266	13.2
163.14815	17.7
165.12781	1.4
173.13258	11.3
175.14809	4.1
177.16431	4.2
179.14310	1.0
187.14815	7.5
188.32530	0.6
189.16385	0.9
191.14322	0.7
201.16379	2.8
203.18069	0.7
205.03992	0.7
205.15799	0.7
209.92442	0.6
215.17979	2.0
217.19600	0.8
219.17509	1.5
233.22667	1.1
243.21082	28.4
244.21431	1.1
252.14632	0.6
258.79614	0.7
261.22141	100.0
262.22458	3.8
284.41547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26156	10.7
72.08160	4.4
73.02920	4.5
98.23177	5.1
99.33824	5.2
101.00871	33.6
113.00870	16.3
118.08606	5.3
119.01930	33.2
131.01883	26.9
138.59612	4.4
143.01907	60.3
145.03401	5.4
155.01898	25.9
161.02969	100.0
173.02957	51.1
175.04468	6.2
185.02943	11.8
191.04005	20.6
199.85460	4.3
203.04036	15.6
221.05074	10.1
246.66089	4.5
263.01633	23.2
263.05908	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20018	2.7
69.09362	19.0
69.09769	5.5
70.06583	4.2
84.08138	4.3
101.00879	29.9
113.00876	11.2
118.08664	6.2
119.01914	29.3
131.01891	23.6
137.02881	3.2
143.01892	48.7
155.01906	16.8
157.03439	5.9
161.02943	100.0
167.01888	3.2
173.02965	46.0
179.04030	3.1
185.02994	6.9
191.03960	19.6
203.04013	16.8
221.05048	4.6
239.06096	3.6
257.56769	3.4
263.01660	13.0
263.06033	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62379	0.3
58.99847	1.0
68.98251	0.3
69.85584	1.4
70.99874	1.8
77.00914	2.0
78.14258	0.3
81.03401	0.6
81.20428	0.3
82.99830	2.0
86.99298	0.5
89.00891	3.0
89.43191	0.3
95.01926	0.5
97.01405	0.5
98.86758	0.4
101.00881	13.4
102.01017	0.3
107.01942	0.3
108.92776	0.4
109.02885	0.8
113.00851	1.0
115.02424	1.4
119.01921	15.8
120.02006	0.7
123.22169	0.3
124.99184	0.4
127.02425	2.1
131.01938	2.2
133.03462	0.8
135.01395	0.9
137.02931	1.4
139.02400	3.9
139.05861	0.4
141.00374	0.5
142.16959	0.3
143.01895	9.7
144.01971	0.5
145.03453	6.4
157.03470	15.1
159.01443	2.2
161.02963	15.9
163.04485	0.6
167.01894	1.3
167.35274	0.3
173.02974	0.8
175.04520	2.9
175.21513	0.4
177.02443	0.5
179.03911	0.6
185.02962	5.9
187.04524	1.2
191.03949	0.4
198.37921	0.3
203.04012	8.3
204.04228	0.5
213.00578	0.4
221.05069	10.6
222.05215	0.6
239.06128	7.4
245.05020	0.8
256.02811	0.4
263.06113	100.0
264.06342	4.8
281.07120	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10670	1.2
58.99857	2.0
63.82287	1.0
69.91709	3.9
69.92094	2.6
70.99845	1.6
77.00909	2.0
82.99836	2.0
89.00886	3.1
98.22656	1.5
101.00898	19.6
113.00905	1.7
115.02338	1.4
119.01923	20.5
127.02447	1.7
131.01904	1.9
133.03415	1.5
137.02945	1.4
139.02419	3.3
143.01883	12.5
145.03482	8.4
157.03485	15.9
159.01402	1.8
161.02963	23.6
167.01888	1.3
175.04512	3.4
179.03995	1.2
185.02950	6.4
203.04063	11.1
213.87521	1.2
221.05080	11.0
239.06058	8.4
263.06104	100.0
264.06339	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	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.7
59.56116	0.5
66.77879	0.5
69.03436	0.7
69.29067	1.0
69.29478	1.8
70.06602	0.9
70.99871	0.7
71.30563	0.5
71.30952	0.5
73.02922	0.6
82.99815	3.2
85.02924	1.3
86.09675	0.8
86.99323	0.9
94.99836	0.9
97.02888	1.8
97.83102	0.5
98.97605	1.5
101.00887	29.6
102.00979	0.7
102.96879	3.4
106.04042	0.5
113.00874	10.9
115.02435	0.8
116.98643	0.7
119.01930	36.1
120.02009	1.3
120.08147	0.8
120.97910	1.6
127.02395	0.8
130.55710	0.5
131.01912	21.7
132.01944	0.8
133.03487	0.5
137.02994	3.2
138.98994	0.7
141.97237	0.5
143.01906	46.3
144.02052	1.5
144.68993	0.5
145.03468	2.1
149.02934	2.3
155.01901	12.4
156.01974	0.5
157.03477	4.4
161.02966	100.0
162.03152	3.6
167.01910	1.4
173.02974	32.8
174.03151	0.8
175.04552	1.1
179.00624	1.0
179.04027	2.4
181.74104	0.5
183.74728	0.5
184.04593	0.9
185.02954	6.7
188.36111	0.5
191.04019	22.9
192.04114	0.9
196.04509	0.8
197.02994	1.8
203.04021	16.0
215.03990	1.1
221.01785	2.4
221.04996	3.8
227.04158	0.5
233.05116	1.7
239.06134	1.4
245.01979	0.9
245.05042	1.4
246.04726	0.6
256.97748	0.6
262.99026	1.3
263.02933	9.9
263.06146	32.5
263.13553	3.0
264.06195	1.2
281.00134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03947	2.2
55.01871	4.3
55.05508	2.6
65.03945	1.5
67.05506	6.0
69.03430	10.3
69.07085	1.5
69.69984	4.8
71.05005	1.8
79.05491	8.4
81.07056	9.2
83.04979	2.7
85.02910	3.7
87.04473	1.8
91.05470	11.6
93.07041	9.8
93.39037	1.0
95.04971	5.8
95.08611	4.0
97.02878	4.3
97.06532	14.3
99.04422	1.2
101.06016	0.8
103.05486	1.5
105.07029	11.3
107.04942	1.5
107.07932	1.7
107.08592	15.3
109.02885	3.5
109.06507	5.7
109.10151	1.5
111.04446	8.9
111.08080	1.8
113.02368	4.8
115.05448	3.5
117.06998	5.7
119.04948	2.4
119.08578	11.2
121.06496	5.3
121.10149	3.0
123.04428	7.7
123.08059	4.5
128.06226	5.2
129.07027	5.4
130.07880	0.9
131.04913	1.3
131.08588	6.6
133.06503	3.7
133.10115	5.1
135.08057	100.0
136.08382	1.6
137.05971	4.4
137.09618	1.2
139.03871	2.2
139.07545	1.5
141.07024	3.8
142.07770	5.4
143.08566	8.0
144.09335	1.6
145.06496	4.5
145.10085	4.4
146.07251	1.9
147.08063	7.3
147.11736	2.7
149.05994	2.3
149.09654	3.2
149.13313	0.9
151.07536	2.5
151.11121	1.0
153.06941	1.1
155.08537	1.7
156.09320	9.4
157.06493	3.2
157.10144	7.7
158.07242	1.2
159.08052	7.9
159.11668	10.9
160.08847	2.5
161.06007	3.7
161.09610	5.6
163.07530	3.4
165.07022	2.3
165.09164	2.3
166.07764	3.0
169.06525	2.9
169.10159	1.7
170.07343	1.0
171.08022	3.1
171.11687	9.3
172.05205	2.1
172.08824	5.6
173.06007	1.2
173.09616	10.7
173.13303	1.0
174.06747	1.7
175.07544	4.2
175.11195	4.8
181.10156	3.7
183.11813	1.1
184.08867	4.4
185.09679	4.7
187.07602	2.2
187.11182	29.4
188.08336	3.7
189.09138	2.8
189.12729	3.5
191.07010	1.2
197.09581	1.9
199.07526	2.7
199.11195	21.6
202.08089	0.9
202.09970	1.5
203.08780	1.2
203.10664	38.1
205.08562	1.0
205.12190	1.5
209.09621	3.0
212.08307	4.5
215.10686	22.2
217.08682	1.3
217.12230	22.0
227.10664	16.2
231.08116	1.3
233.08150	4.6
233.11725	14.6
245.11729	50.0
246.11998	2.3
263.06909	1.6
263.10349	2.8
263.12845	18.6
263.16458	3.3
263.20230	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
54.48154	0.3
67.99522	0.3
70.06593	33.5
71.06976	0.3
71.25647	0.3
71.28652	0.3
91.05468	0.8
93.07049	2.1
95.04962	0.4
103.05469	7.2
108.28511	0.3
114.05552	0.4
116.07092	78.8
117.07452	1.1
118.06483	0.3
120.08105	100.0
121.08463	2.0
157.07599	0.4
263.13904	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	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
69.44640	1.6
70.06593	34.9
79.05494	0.4
85.02917	1.0
91.05485	1.0
93.07050	2.2
102.09171	0.4
103.05473	8.3
104.33716	0.3
114.05518	0.4
114.48426	0.3
116.07092	81.8
117.07439	0.5
120.08105	100.0
121.08448	1.9
123.04438	0.5
129.07123	0.4
129.66119	0.3
217.84210	0.3
228.36453	0.3
236.37314	0.3
246.11140	0.5
263.09546	0.4
263.13916	10.2
263.16702	0.6
277.77618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03954	1.2
55.01866	1.4
55.05512	9.1
57.03442	2.5
57.07085	2.2
58.47779	0.9
65.03936	1.5
67.05511	31.2
69.06672	8.2
69.07079	8.0
71.04988	1.9
79.05507	14.2
81.07066	18.3
83.04973	0.9
83.08628	2.7
85.06567	1.2
91.05490	6.6
93.07055	10.9
95.04979	3.7
95.08614	100.0
96.08941	1.9
97.06544	4.2
97.10204	1.4
98.23441	1.2
99.08115	1.6
104.99278	5.7
105.07040	8.9
107.04964	1.3
107.08614	9.6
109.06522	2.1
109.10168	7.3
113.09686	1.5
119.08551	6.0
121.10157	5.0
123.08100	4.7
123.11745	5.0
125.09640	1.0
131.08583	1.5
133.10135	6.1
135.11731	2.5
137.09641	1.6
137.13350	1.4
141.09103	5.5
145.10184	1.3
147.11728	3.9
149.09676	1.2
151.11201	1.2
159.10185	19.0
161.13283	2.3
171.11679	1.0
175.14864	1.9
185.13248	1.0
189.16454	1.5
221.13429	1.0
245.15385	1.3
245.22720	3.4
246.71220	0.9
263.16599	1.6
263.17496	1.3
263.20139	16.4
263.23730	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	263.2006
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
52.10640	1.2
55.05496	2.9
57.07072	1.4
60.61927	1.4
63.12453	1.3
67.05487	3.0
68.85740	1.3
69.07051	5.1
70.06852	4.7
72.29965	1.4
73.06556	1.8
79.05474	2.3
80.01988	1.2
81.07043	6.9
83.08613	2.5
85.06547	2.4
91.05479	4.8
93.07022	8.2
95.08611	13.1
99.08121	1.7
105.07029	18.0
107.08591	15.9
109.06471	1.6
109.10167	6.9
113.77574	1.2
119.08579	39.3
121.10147	9.0
123.11720	2.1
131.08537	2.3
133.10129	18.8
135.11697	13.5
145.10081	3.1
147.11688	21.7
149.13205	1.5
153.09105	2.1
161.13252	2.3
167.10686	3.0
175.11127	2.1
187.14827	5.0
189.16383	100.0
190.16742	2.8
193.12260	1.8
203.17921	11.0
207.13802	2.8
231.17445	12.5
242.25984	1.4
261.29984	1.2
263.20227	17.6
264.20493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03948	1.2
54.16064	0.4
55.01879	1.1
55.05512	15.9
57.03440	2.3
57.07076	10.4
65.03943	3.4
67.05505	84.5
68.05827	0.9
69.03439	0.5
69.04923	3.7
69.07070	16.2
71.04991	1.8
71.08631	6.6
72.68289	0.4
77.03958	0.6
79.05495	22.8
81.07058	100.0
82.07381	1.2
83.04975	1.6
83.08619	12.3
85.06548	4.6
85.10188	2.4
91.04903	0.5
91.05481	16.2
93.07045	24.2
94.07360	0.6
95.04982	2.0
95.08607	90.7
96.08941	1.7
96.70724	0.4
97.06529	6.3
97.10169	7.0
99.08089	6.5
104.99265	0.7
105.07036	12.4
107.08597	13.8
108.08950	0.4
109.06535	1.7
109.10156	42.1
110.10500	1.3
111.08071	5.0
111.11751	1.3
113.09647	3.3
117.06980	0.4
119.08585	10.9
121.10144	15.5
122.10489	0.5
123.08125	2.0
123.11704	18.0
124.12012	0.5
125.09624	1.3
125.13309	0.6
127.11243	1.9
131.08499	0.7
133.10129	15.6
135.11697	9.6
137.09615	2.0
137.13249	7.4
139.11176	0.7
141.12735	1.6
147.11682	9.2
149.13254	7.9
151.11182	1.2
151.14812	6.8
154.84250	0.4
155.14308	1.2
159.10193	0.6
161.13245	8.3
162.13548	0.4
163.14835	7.5
165.12770	1.2
165.16388	8.2
167.14372	0.9
175.14841	7.0
177.16408	1.8
179.14267	0.5
179.17975	2.7
181.15897	1.4
189.16460	3.1
191.17947	0.5
193.15881	0.7
203.17961	1.2
207.17372	0.4
217.19516	1.6
219.21199	0.7
221.18924	0.6
245.22639	25.5
246.23039	1.5
251.96404	0.4
263.23706	59.8
264.24002	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03951	2.0
55.05270	1.6
55.05511	19.5
56.29488	1.4
57.03439	1.8
57.07080	15.7
65.03931	3.3
67.05505	91.5
69.07072	16.7
69.26890	6.0
69.27299	2.6
71.04988	1.6
71.08640	6.9
79.05059	2.1
79.05495	27.6
81.07058	100.0
82.07368	2.8
83.08619	13.8
85.06547	4.7
85.10190	4.2
90.99860	1.0
91.05489	19.6
93.03468	1.1
93.07043	27.3
94.64821	1.1
95.04964	2.4
95.08610	92.1
96.08957	1.4
97.06551	8.4
97.10161	4.9
99.08096	6.2
104.99242	2.5
105.07033	11.5
107.08595	14.9
109.06567	1.6
109.10158	45.3
111.08064	5.1
113.09632	4.1
119.08586	11.8
120.91987	1.3
121.10133	17.4
123.08064	2.3
123.11729	17.9
127.11182	2.2
133.10139	14.1
135.11693	8.1
137.09592	1.8
137.13269	8.3
141.12697	2.6
147.11705	8.9
149.13242	8.6
151.11066	1.5
151.14816	8.8
161.13255	8.2
163.14809	7.1
165.12814	1.8
165.16391	10.6
175.14806	7.9
177.16362	2.3
179.17944	5.6
181.15845	1.7
189.16336	2.6
245.22659	31.3
246.00285	1.4
263.23709	69.1
264.23959	2.6
275.77698	1.1
284.95984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.6
55.01869	1.2
55.05512	16.1
57.03428	2.1
57.07075	11.9
65.03937	2.6
67.05505	89.6
68.05827	0.8
69.03420	0.7
69.07069	14.8
69.58733	1.9
71.04992	2.2
71.08630	7.4
72.28390	0.5
76.53442	0.5
76.71702	0.5
79.05491	23.0
81.07056	100.0
82.07392	1.5
83.04985	1.6
83.08615	13.8
85.06539	5.0
85.10160	2.9
91.05477	17.4
93.07047	22.2
94.11791	0.5
95.04981	1.7
95.08605	83.2
96.08949	1.3
97.06517	5.6
97.10169	6.0
98.23386	0.7
99.08107	5.3
104.99290	2.5
105.07030	10.6
107.04951	0.8
107.08587	14.1
107.09283	1.0
109.06513	1.7
109.10154	42.9
110.10471	0.9
111.08073	4.7
111.11708	1.4
113.09662	3.1
119.08578	10.3
121.10141	14.8
123.08086	2.5
123.10789	0.9
123.11705	19.1
127.11175	1.6
131.08510	0.5
133.10127	13.8
135.11679	8.8
137.09625	2.7
137.13258	8.1
140.09152	0.5
141.12753	1.9
147.11693	9.3
148.53383	0.5
149.13252	7.8
151.11206	1.4
151.14825	6.8
155.14337	1.3
155.27696	0.5
161.13260	9.7
161.68523	0.5
163.14828	7.6
165.12698	0.6
165.16399	7.9
167.14323	0.9
175.14841	7.2
177.16393	1.7
179.17969	3.2
181.15878	1.2
189.16350	3.7
201.41283	0.5
203.17957	1.5
205.19608	0.8
207.17592	0.6
217.19495	1.4
220.49458	0.5
221.18880	0.8
232.71017	0.6
245.22636	27.3
246.23032	1.0
263.23697	70.0
264.24066	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	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.1
57.03430	2.0
57.07080	10.7
59.24720	1.6
65.03936	3.0
67.05506	88.2
68.65421	1.4
69.03682	4.3
69.04095	7.8
69.07071	16.2
71.04990	2.7
71.08630	9.2
75.91573	1.5
79.05495	23.4
81.07057	100.0
82.07368	1.9
83.04972	2.4
83.08621	14.5
85.06537	4.2
85.10210	1.8
86.06099	1.2
91.05475	18.2
93.07046	25.9
95.04958	2.8
95.08608	97.3
96.08966	3.0
97.06512	8.4
97.10191	7.3
98.23393	2.0
99.08089	4.5
104.99280	23.5
105.07029	9.7
107.05001	1.4
107.08590	16.5
109.06472	1.6
109.10157	50.4
111.08086	6.0
113.09670	3.9
116.26389	1.5
119.08562	11.6
121.10132	16.2
123.08031	2.6
123.11702	22.6
125.09613	1.7
131.08601	1.9
133.10144	12.0
135.11707	11.7
137.09616	3.3
137.13274	5.1
141.12762	1.6
147.11693	9.6
149.13263	7.9
151.11238	1.6
151.14833	5.9
161.13251	8.7
163.14844	5.4
164.92065	2.5
165.16489	8.2
167.04333	1.9
175.14813	7.7
177.16475	2.2
179.17932	3.0
189.16367	3.7
203.17905	2.2
215.06624	1.4
217.19563	1.7
245.22633	27.7
246.23170	2.2
263.23715	67.5
264.24060	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	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81167	0.4
56.96567	100.0
70.41833	1.0
71.95267	2.2
72.96044	5.4
74.97632	0.8
75.47192	0.5
83.97630	3.1
97.99194	0.6
98.97585	17.7
102.39537	0.6
116.98631	7.3
122.07197	1.2
134.99692	1.6
144.04776	0.6
144.96863	2.4
149.02853	1.3
162.03069	0.8
163.00685	1.0
165.02238	3.3
167.03824	1.1
176.03845	15.9
178.05399	12.1
179.00197	1.0
179.05794	0.6
181.01781	1.7
183.03297	6.7
185.01375	0.6
186.02155	0.8
190.01762	2.5
192.03368	3.2
194.04907	4.9
194.26543	0.6
196.06465	5.0
197.01236	1.4
201.04358	4.5
204.03305	8.9
208.02853	7.3
210.04367	1.3
219.03372	0.8
222.04382	73.0
223.04773	1.8
226.03954	3.5
233.91368	0.9
240.05432	54.6
241.05794	1.5
245.05908	1.1
264.05423	13.4
282.06506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	13.7
57.19842	12.4
69.03439	16.2
70.80979	31.5
85.02918	23.2
89.57797	11.3
94.93044	19.2
98.97607	19.2
100.14608	12.4
103.00653	40.9
103.51876	13.8
104.10821	13.4
107.27491	13.5
107.86153	13.2
121.01674	48.5
133.01692	34.2
143.01927	15.3
145.01590	66.6
161.02933	26.0
163.02682	100.0
175.02708	39.2
193.03802	19.7
205.03819	19.1
207.56796	13.7
265.01639	38.8
265.05908	26.2
275.45996	14.2
275.49170	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
56.23761	4.1
67.05505	10.3
70.57199	9.0
71.04994	52.4
72.08157	12.0
79.05486	10.3
81.03479	4.6
81.04545	9.9
81.07065	12.8
85.02871	4.1
91.05489	21.3
93.07046	7.4
94.14736	3.7
95.04955	6.1
95.08618	9.4
103.05494	12.2
105.07027	11.4
107.08595	5.4
115.05424	29.6
117.07004	46.8
118.04140	4.7
119.08598	9.0
120.08085	4.3
121.10177	7.9
122.07153	57.8
122.60558	4.2
123.08036	4.6
128.06227	10.4
129.07025	7.9
130.04228	6.8
131.04945	11.3
131.08589	12.3
133.06520	4.9
135.08089	8.7
141.07028	5.3
144.04781	12.9
144.05768	6.9
145.06485	80.1
145.10193	6.5
147.08037	8.3
155.06097	10.2
156.05737	15.9
159.08043	9.4
159.11702	3.7
161.05972	9.6
173.05972	100.0
173.09477	4.4
175.03922	5.2
175.07581	10.5
176.04663	5.7
181.10094	6.0
183.11754	4.1
187.07504	7.4
190.06247	41.4
191.07007	23.3
192.07658	4.6
195.11642	6.1
203.07072	16.8
204.07866	4.8
205.06689	8.3
205.08601	71.9
217.08609	46.0
235.09648	7.1
247.09727	12.7
264.50058	4.3
265.08557	13.0
265.10776	13.0
265.19653	12.1
277.87485	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	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55701	3.6
54.55906	3.6
55.01864	11.2
55.15962	4.4
63.40478	3.8
67.05490	6.1
69.33366	10.8
69.33779	11.1
79.05495	18.9
81.03421	17.5
81.04539	12.9
81.07050	9.8
82.88430	4.7
83.04996	4.9
91.05499	22.8
95.08607	8.9
103.05479	9.6
105.07018	20.8
107.04960	28.4
107.08577	3.8
109.10172	4.2
115.05432	40.1
116.06239	11.0
117.07037	36.7
119.08626	4.8
122.07150	100.0
125.06019	5.0
128.06227	11.9
129.07033	22.1
131.04919	14.9
131.08551	30.7
132.05669	5.3
133.06506	12.3
141.06967	25.1
144.04761	18.4
144.05727	37.7
145.06470	54.6
147.04396	8.2
147.08034	6.9
152.04636	6.2
155.04944	7.1
155.06090	10.6
156.05690	6.5
157.06493	19.5
158.07309	15.6
159.08063	56.5
159.09224	6.7
160.05212	7.4
161.06007	24.6
167.03296	4.2
167.07039	52.3
169.06454	14.2
169.07709	5.6
172.05162	8.1
173.06009	68.7
175.07524	21.5
178.06241	7.3
186.06665	9.6
187.07532	70.5
188.08105	5.2
190.06198	27.6
191.07042	16.0
192.07837	12.1
193.08595	15.1
194.07285	6.5
203.07022	22.7
204.07774	5.5
205.06715	6.4
205.08589	98.2
206.09000	5.2
207.10226	10.5
215.07063	13.9
217.08571	20.4
218.09418	32.7
219.10107	38.7
222.06708	8.4
233.08081	9.0
235.09633	8.5
247.09653	67.2
250.06287	5.7
265.08466	20.0
265.10831	39.4
265.17902	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	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
56.23761	4.1
67.05505	10.3
70.57199	9.0
71.04994	52.4
72.08157	12.0
79.05486	10.3
81.03479	4.6
81.04545	9.9
81.07065	12.8
85.02871	4.1
91.05489	21.3
93.07046	7.4
94.14736	3.7
95.04955	6.1
95.08618	9.4
103.05494	12.2
105.07027	11.4
107.08595	5.4
115.05424	29.6
117.07004	46.8
118.04140	4.7
119.08598	9.0
120.08085	4.3
121.10177	7.9
122.07153	57.8
122.60558	4.2
123.08036	4.6
128.06227	10.4
129.07025	7.9
130.04228	6.8
131.04945	11.3
131.08589	12.3
133.06520	4.9
135.08089	8.7
141.07028	5.3
144.04781	12.9
144.05768	6.9
145.06485	80.1
145.10193	6.5
147.08037	8.3
155.06097	10.2
156.05737	15.9
159.08043	9.4
159.11702	3.7
161.05972	9.6
173.05972	100.0
173.09477	4.4
175.03922	5.2
175.07581	10.5
176.04663	5.7
181.10094	6.0
183.11754	4.1
187.07504	7.4
190.06247	41.4
191.07007	23.3
192.07658	4.6
195.11642	6.1
203.07072	16.8
204.07866	4.8
205.06689	8.3
205.08601	71.9
217.08609	46.0
235.09648	7.1
247.09727	12.7
264.50058	4.3
265.08557	13.0
265.10776	13.0
265.19653	12.1
277.87485	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	265.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01889	4.5
55.05503	7.0
57.07065	4.1
67.05500	10.5
67.05831	2.1
69.03433	5.5
69.07078	11.0
71.04998	3.6
71.30621	4.0
79.05499	11.1
81.03416	5.8
81.07047	15.8
83.04990	5.4
83.08643	3.8
83.14566	2.3
85.06538	3.5
91.05479	18.5
93.07033	11.9
94.53574	1.9
95.04975	7.1
95.08628	16.0
97.02916	3.3
97.06535	4.1
103.05465	5.5
105.07037	9.1
107.04985	3.5
107.08593	6.1
109.06528	4.3
109.10185	5.6
111.04449	2.5
115.05447	29.9
116.06215	2.7
117.07016	50.4
119.08592	9.5
121.06521	7.4
121.10139	5.2
122.07193	15.1
123.08043	5.5
123.11713	3.0
125.09623	3.2
127.04055	2.3
128.06198	6.8
129.07008	11.3
130.04149	3.6
131.08554	11.6
132.05714	4.3
133.10152	5.1
135.08095	3.4
135.11703	4.2
137.05894	2.4
137.13289	3.9
138.21167	2.2
141.07002	2.8
143.04929	4.2
144.04736	5.4
144.05750	6.4
145.06482	86.6
145.10165	7.5
145.73863	2.3
146.06923	2.4
147.04382	4.6
147.08075	6.0
147.11646	4.3
155.04921	3.7
155.06023	20.2
156.05676	21.4
157.06491	4.4
158.07262	2.3
159.08000	11.3
159.11681	3.4
160.05164	2.3
161.06007	6.3
167.07045	6.1
171.04411	2.0
173.05978	100.0
173.13277	4.8
174.06425	3.2
175.03972	3.8
175.07523	3.1
175.11224	2.3
184.05232	2.8
187.07509	13.3
190.06252	48.2
195.11638	2.3
202.06267	4.2
203.07001	17.7
205.08594	76.6
205.12234	2.8
209.13449	2.6
217.08578	56.6
218.09152	3.1
219.10081	4.2
235.09721	6.4
237.09158	3.2
247.09705	9.4
247.16974	4.1
265.08392	4.2
265.10837	7.3
265.25275	4.7
266.24744	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03940	7.7
55.05510	19.8
56.74378	2.4
65.03938	8.5
67.05505	29.5
69.03433	35.3
69.07062	6.3
70.20231	7.6
71.04993	7.7
72.08170	3.8
79.05502	25.5
81.07074	17.2
82.87324	2.6
83.04993	7.6
83.08630	2.9
91.05481	59.5
93.03417	6.6
93.07043	46.2
95.04970	42.7
95.08602	17.9
97.02871	4.8
97.06530	6.1
98.22630	2.8
99.04449	6.0
103.05447	8.7
105.04523	2.9
105.07027	73.8
107.04915	4.6
107.08595	23.0
109.02882	2.8
109.06515	36.7
109.10138	6.8
111.04434	33.5
111.08067	11.1
113.05991	16.0
115.05457	10.5
116.06195	7.6
117.07008	20.0
119.08580	100.0
120.08111	84.3
121.02876	13.5
121.06517	48.3
121.10131	13.5
122.07190	16.9
123.08086	23.1
128.06224	9.3
129.07010	23.2
130.07784	6.7
131.04951	3.7
131.08568	44.2
133.06494	8.7
133.10127	17.1
135.07077	5.1
135.08047	78.9
137.09607	18.8
139.03920	10.2
139.07542	11.9
141.06989	6.4
142.07808	15.9
143.08577	18.7
144.04718	3.7
144.05734	4.9
144.09361	11.7
145.06461	13.2
145.10144	29.5
146.07237	5.1
147.08058	39.1
147.11708	18.5
149.05974	6.3
149.09631	14.4
151.07541	4.1
153.06955	5.8
154.07779	4.5
155.08539	9.7
156.09306	9.1
157.06483	7.3
157.10129	21.3
158.07260	24.7
158.10883	4.7
159.08061	41.8
159.11671	44.4
160.08827	5.2
161.06035	4.0
161.09604	40.2
161.13239	6.7
163.07620	3.5
165.09094	29.1
167.07195	2.9
167.08505	6.3
168.09352	8.5
169.10133	4.9
171.08081	6.5
171.11707	13.1
172.08875	21.8
173.05980	4.8
173.09610	18.2
173.13246	20.4
174.06845	2.9
175.07556	78.9
175.11165	37.4
181.06470	3.9
183.11682	13.9
185.09633	11.9
186.10451	8.2
187.07553	5.9
187.11182	37.2
189.09137	13.2
189.12796	16.8
191.07037	3.7
193.08614	27.2
193.10204	4.0
196.08807	6.1
199.11188	12.4
201.12721	35.0
203.10651	51.3
205.12251	8.3
211.11174	22.6
217.12215	26.8
219.13829	8.4
229.12213	24.2
235.13274	7.8
235.86200	3.1
247.09546	4.0
247.13312	39.8
265.11102	3.0
265.14468	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	6.9
54.01877	2.3
55.05500	11.7
57.03435	5.0
65.03964	10.8
67.05500	33.5
69.03431	38.5
69.07067	5.5
69.39409	14.2
71.04988	12.6
75.69182	2.1
75.86240	2.1
79.05488	23.6
81.03415	4.1
81.04503	3.0
81.07059	15.7
83.04983	8.9
85.02896	5.3
91.05482	53.3
93.03384	11.1
93.07047	45.0
95.04967	52.6
95.08607	19.3
97.02892	4.2
97.06534	9.7
99.04443	5.8
103.05447	8.0
105.07030	77.6
107.04930	4.7
107.08593	18.9
109.02863	4.9
109.06515	37.4
109.10146	8.6
110.82744	2.5
111.04435	32.4
111.08088	11.0
113.02325	2.1
113.06010	18.1
115.03964	3.8
115.05447	4.4
116.06228	8.2
117.07024	21.3
119.04935	2.8
119.08578	100.0
120.08111	31.1
121.02876	17.7
121.06500	48.1
121.10153	11.4
122.07174	14.6
123.04470	3.8
123.08067	24.9
125.05981	2.9
128.06233	7.2
129.06996	19.8
130.07764	7.7
131.04883	3.2
131.07675	4.5
131.08574	40.7
133.06494	10.7
133.10117	20.5
135.08051	85.1
135.67116	2.4
137.09601	13.6
138.09190	20.5
139.03888	13.1
139.07526	8.7
141.06967	7.6
142.07764	11.7
143.08559	19.7
144.04741	4.6
144.05724	4.9
144.09337	8.6
145.06474	18.3
145.10141	39.6
146.07230	4.0
147.04433	4.5
147.08049	43.9
147.11679	14.9
148.08322	2.3
149.05963	6.4
149.09622	11.3
153.07005	5.7
153.09102	3.2
155.08540	8.7
156.09370	11.1
157.06532	4.1
157.10130	19.9
158.07294	21.2
158.10913	3.9
159.08057	39.8
159.11714	39.8
160.08786	4.2
161.05927	3.9
161.09615	35.5
161.13232	5.7
163.07585	5.5
165.09123	33.2
168.09346	8.9
169.10100	3.8
171.08064	9.9
171.11703	8.2
172.08827	21.1
173.06006	3.0
173.09630	18.2
173.13258	21.6
175.07545	73.9
175.11157	40.7
177.03621	4.3
181.10092	3.1
183.11716	12.5
185.09636	8.1
186.10367	6.6
187.11180	38.8
189.09058	12.4
189.12735	13.4
191.07137	2.9
191.10600	3.0
193.08621	27.9
196.08786	8.2
199.11133	12.9
201.12708	29.1
203.10675	43.7
205.12222	9.5
211.11142	20.4
216.12523	2.8
217.12224	24.7
219.13814	9.1
229.12241	26.2
235.13329	10.1
247.13196	31.1
265.14313	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.48473	2.4
53.03951	5.8
55.01874	3.7
55.05512	14.2
59.52235	2.4
61.73473	2.5
62.18680	2.4
65.03932	12.6
67.05505	33.1
67.65497	2.2
69.03429	35.2
69.07072	8.5
69.42768	9.2
71.05000	16.4
72.08168	4.9
77.00330	2.4
79.05494	27.6
81.04526	5.9
81.07047	26.2
83.04980	10.8
85.06548	3.2
91.05474	65.4
91.06003	4.0
93.03380	6.3
93.07043	44.1
95.04969	40.1
95.08077	3.0
95.08595	20.5
97.02880	6.5
97.06527	11.0
99.04434	6.7
103.05468	7.8
105.07030	78.7
107.04960	10.0
107.08597	21.3
109.02831	4.7
109.06511	32.2
109.10167	7.8
111.04447	31.8
111.08086	6.3
113.02409	3.0
113.06020	14.7
115.05476	11.6
116.06235	6.1
117.07005	23.8
119.04938	4.1
119.08578	100.0
120.08096	3.6
121.02855	18.4
121.06517	45.8
121.10141	17.6
122.07142	37.1
123.00784	3.6
123.04461	3.5
123.08082	25.9
128.06209	10.6
129.07018	24.7
130.07767	11.3
131.04890	5.6
131.08568	53.4
133.06519	14.0
133.10100	20.2
135.04391	2.4
135.08057	85.1
135.11671	2.4
137.06026	6.1
137.09601	13.5
139.03908	8.9
139.07552	8.1
141.07021	12.3
142.07793	9.1
143.08565	20.6
144.04774	8.8
144.05737	6.4
144.09357	10.8
145.06476	26.3
145.10127	28.7
146.07275	8.5
147.08038	46.9
147.11656	18.6
149.05984	5.7
149.09590	12.7
151.07556	6.6
153.06978	8.5
154.07791	3.1
155.08560	8.2
156.09325	8.4
157.06516	4.2
157.10139	21.7
158.07278	26.7
158.10956	4.1
159.08072	43.8
159.11671	35.8
160.08849	6.6
161.06047	6.0
161.09602	43.7
161.13258	5.3
163.07532	4.7
165.06947	3.0
165.09120	31.6
167.08577	3.5
168.09375	8.4
169.07733	2.8
169.10037	4.2
171.08051	9.0
171.11682	10.0
172.08861	21.1
173.06021	5.8
173.09668	20.0
173.13246	20.6
175.07559	70.8
175.11171	37.1
177.09158	2.7
177.12747	3.0
178.07787	2.9
179.07092	3.6
181.06525	2.8
183.11697	14.1
185.09612	6.9
186.10382	5.3
187.07590	7.5
187.11189	43.3
188.27541	2.7
189.09056	12.6
189.12714	14.7
190.07872	3.3
191.07016	3.4
191.08609	4.5
193.08635	21.0
193.10120	4.4
196.08821	7.3
199.11195	17.3
201.09239	2.8
201.12766	39.5
203.10672	49.6
205.06757	3.2
205.08592	4.6
205.12308	9.6
207.10182	5.6
211.11125	23.6
217.12288	24.5
219.08163	4.9
219.13817	8.3
222.06801	3.3
229.12224	30.2
235.13327	7.1
237.05585	4.7
237.09108	4.3
247.07597	3.2
247.09741	5.8
247.13324	44.2
265.08603	20.7
265.11444	4.5
265.14334	46.3
266.14471	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	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03941	0.3
55.01868	0.4
55.05515	13.3
56.05023	0.6
57.03436	0.3
57.05814	1.0
67.05512	0.8
69.03432	0.6
69.67434	1.2
71.04999	5.0
72.08158	100.0
73.02938	0.4
73.08486	0.6
79.05501	0.7
81.03429	0.7
81.04556	1.0
81.07079	0.6
85.02906	0.8
91.05470	1.2
93.07048	1.3
95.04985	0.7
95.08607	0.4
97.02908	0.7
97.06553	0.3
98.04926	0.2
103.05475	0.7
105.07050	1.0
107.04957	0.4
107.08598	0.4
109.06488	0.3
109.10188	0.4
111.04475	0.8
115.03889	0.4
115.05453	0.4
116.06216	0.4
117.07062	0.4
119.05006	0.3
119.08594	1.0
120.08109	17.8
121.02954	0.3
121.06532	0.7
121.08454	0.3
121.10128	0.3
122.07159	7.8
123.06817	0.5
123.08099	0.3
124.07588	0.6
125.16103	0.3
128.74231	0.3
129.06984	0.4
131.04976	0.8
131.08577	0.4
133.06517	0.8
133.10191	0.3
134.01848	0.5
135.08060	0.4
136.06197	0.6
138.09195	0.3
141.00092	0.5
144.04770	1.8
145.06500	0.6
145.10085	0.4
147.04446	1.1
147.08087	0.6
149.04124	0.3
149.06000	0.7
149.09567	0.5
151.07555	0.4
155.08524	0.3
159.08115	0.7
159.11626	0.3
163.07530	0.3
165.06946	0.3
166.08655	9.0
175.07590	0.7
176.03009	0.4
177.03712	7.4
177.05350	0.4
181.03326	0.4
183.08156	0.3
187.07607	0.3
193.03188	0.5
203.07132	0.3
219.15067	0.5
229.08611	0.4
247.07947	1.1
247.14409	1.1
265.08862	0.7
265.11166	0.5
265.15442	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	265.2162
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
54.19431	0.7
55.01890	1.0
55.05513	8.7
57.07077	1.8
59.48098	0.6
60.07869	0.7
65.03943	3.5
67.05505	100.0
69.07072	8.7
69.41125	0.6
71.04977	1.6
71.31208	0.9
75.60172	0.7
79.05491	12.0
81.04548	1.0
81.07057	93.6
82.07412	0.7
83.08603	3.5
85.06553	1.4
91.05473	3.6
93.07051	11.3
95.04955	0.8
95.08608	68.8
96.08942	1.1
97.06492	0.8
97.10162	2.5
99.08054	1.1
101.06038	0.7
105.07048	2.1
107.08598	6.7
109.06538	1.0
109.10156	55.0
110.10504	0.9
117.06980	0.8
119.08598	3.1
121.10143	7.1
122.07161	3.5
123.08107	1.1
123.11710	28.2
124.12014	0.8
127.07535	1.0
131.08565	2.5
133.10129	2.1
135.11719	4.6
137.09616	1.3
137.13258	6.3
144.04752	0.8
145.10146	2.2
147.11661	2.3
149.09602	1.4
149.13260	3.0
151.11131	1.2
151.14795	1.5
159.11722	1.8
163.11203	1.3
163.14827	2.0
164.15378	0.8
165.12695	1.3
167.10655	0.8
173.13293	2.6
177.12769	1.7
181.12204	1.7
187.14799	1.2
191.14348	1.4
195.13794	1.7
196.14021	0.8
209.15364	2.8
223.16940	1.7
229.19424	1.8
247.20547	2.7
265.08591	1.1
265.21625	46.6
266.21942	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	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03949	3.2
55.01874	5.2
55.05510	10.6
57.03426	3.2
57.07089	5.2
65.03928	1.2
67.05508	41.7
69.03425	1.8
69.07069	10.0
69.88109	4.1
71.05006	2.3
79.05059	1.3
79.05497	16.3
81.03427	7.4
81.04552	1.0
81.07063	23.5
83.04987	6.4
83.08619	1.7
85.06542	2.8
85.10187	4.4
87.13719	0.9
91.05479	10.8
91.36581	0.9
93.07048	16.4
93.59607	0.9
94.26640	1.0
95.04964	5.7
95.08608	100.0
96.08925	1.8
97.06529	7.3
99.08083	1.4
105.07047	5.2
107.08621	7.5
109.06540	1.5
109.10168	7.7
111.08081	1.5
113.09673	4.8
117.07052	2.6
119.08547	2.7
121.10148	3.8
122.07150	6.4
123.08071	4.2
123.11742	2.2
131.08571	3.1
133.10150	2.4
135.11673	4.7
141.09126	4.7
144.04778	1.7
147.11702	1.2
151.11185	1.8
153.12735	2.0
157.57710	1.1
159.10210	15.6
159.11568	1.7
161.13257	1.2
165.12761	6.2
173.13354	1.1
195.13890	1.0
195.17537	1.0
202.84886	1.1
247.20624	2.6
263.22464	1.0
265.21680	33.4
266.21960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02565	0.2
52.27758	0.2
56.96539	0.5
57.36233	0.2
70.06567	0.3
70.81409	0.4
72.08170	0.3
82.99887	0.4
84.08144	0.6
86.09710	0.9
98.97572	0.7
101.00259	0.4
101.00887	4.9
103.00662	0.4
108.53892	0.2
116.98624	0.3
119.01920	10.6
120.02102	0.3
121.01685	0.5
122.07149	1.3
123.05556	0.4
123.07516	0.7
134.03259	0.3
134.99870	0.6
137.02989	1.5
140.98857	0.7
144.04781	0.7
145.05130	0.3
150.05493	0.5
153.00871	0.4
158.99884	2.8
163.02731	0.4
164.03091	0.5
165.99615	0.3
175.02957	0.5
177.00957	19.8
178.01039	1.8
182.99936	0.7
187.02852	0.2
193.04025	0.3
201.01048	1.7
206.08276	0.3
207.08609	0.3
217.04080	3.3
218.04265	0.4
218.78796	0.2
219.02010	26.0
220.02141	2.0
225.00819	2.1
234.00592	0.3
242.03577	0.3
243.01978	10.3
244.02179	0.8
245.08432	0.2
261.03064	100.0
262.03180	7.9
263.03619	0.3
266.06274	0.4
266.10287	0.4
284.04630	1.6
284.07458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64868	6.5
60.29980	6.5
67.05500	8.8
69.07071	9.7
70.27765	5.8
71.04992	15.5
71.31516	6.3
71.31879	7.2
79.05496	12.7
81.03400	7.2
81.07067	14.2
91.05476	16.4
93.07039	17.4
95.04983	7.4
95.08626	12.7
105.07048	13.3
107.08539	7.2
111.10575	6.4
119.08539	8.3
121.10092	8.0
128.06303	10.2
129.07001	15.2
131.08553	21.0
136.06200	11.8
141.06989	13.6
142.89928	6.0
144.05687	10.0
159.08131	38.4
161.09625	10.2
165.07068	8.5
187.07578	16.5
189.09157	9.9
204.07921	8.4
249.11275	100.0
266.24805	15.8
267.06485	6.5
267.10037	14.9
267.25183	17.9
268.11823	14.7
284.80283	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	267.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03427	1.8
69.39029	3.1
71.04992	1.2
72.67596	0.7
75.04471	0.8
75.77297	0.6
76.39439	0.7
79.05485	2.2
86.70358	0.6
90.04708	0.7
91.05465	1.6
93.07016	0.8
97.72025	0.6
98.22686	1.5
103.05464	3.8
105.03394	1.3
105.07030	13.6
106.04164	1.0
107.04974	0.7
114.97130	0.6
115.05492	3.0
117.03333	0.9
117.07040	0.9
118.04169	5.5
119.04916	0.8
121.06473	1.7
121.61371	0.6
125.05998	0.9
131.04938	3.9
132.05705	6.2
133.02841	2.8
133.06497	15.4
135.04338	0.9
137.05986	1.0
143.04958	1.0
143.06009	0.8
145.06523	0.8
146.03625	29.6
148.05222	1.2
149.05974	1.9
155.57849	0.7
160.05167	2.5
161.05981	30.5
162.06364	0.6
163.03911	7.6
163.07526	2.0
165.05484	1.1
167.07057	0.7
177.05444	2.3
178.06253	100.0
179.06616	2.2
179.08469	1.1
190.06210	1.4
191.07062	7.9
192.07825	2.4
193.04950	6.0
193.08597	35.5
195.01122	1.6
203.10684	0.9
205.08577	0.9
207.08055	2.3
209.08083	1.7
211.09636	1.3
223.00508	0.6
235.07457	2.4
249.11310	1.0
267.10132	4.2
267.12714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	2.3
56.96572	4.6
57.03450	2.3
58.02950	2.0
61.74070	1.9
64.25423	1.9
69.22600	1.9
71.30408	3.2
72.04507	2.3
72.08166	2.8
80.05016	10.6
81.03430	2.6
88.75400	2.0
91.05471	2.6
93.07066	2.5
95.04964	3.4
95.08644	1.9
98.97585	8.0
100.03984	3.2
103.05467	5.0
107.04986	2.5
108.04499	6.5
109.10255	2.4
110.07197	2.4
116.98624	7.5
117.06595	3.6
119.04909	2.1
120.08132	3.2
122.07148	9.1
123.85936	2.2
129.07045	3.5
130.06528	18.0
131.04944	15.0
134.99666	5.2
136.05151	3.4
136.06184	49.2
136.07170	3.5
137.05949	3.7
141.06993	3.3
144.08119	2.6
146.04381	2.4
147.06842	2.1
150.05530	5.2
151.03960	3.5
158.06017	30.5
159.06815	2.9
163.07521	10.7
166.51633	2.3
172.05231	4.0
172.07602	7.8
175.06332	5.8
183.04489	3.6
187.07545	47.6
189.07896	5.6
190.08636	100.0
191.09013	2.9
204.10258	12.8
208.09648	2.6
215.07054	6.7
232.09706	7.5
246.33775	2.0
249.12344	39.2
249.14700	3.2
267.13434	16.1
268.12076	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.134
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05040	18.3
56.96582	0.7
57.03440	2.7
58.06606	4.3
60.04520	0.5
69.48310	3.1
74.06084	100.0
75.06409	0.7
79.05461	0.5
81.07082	0.6
81.93019	0.6
84.04521	4.1
91.05498	2.0
93.07031	0.8
98.97600	0.9
98.98487	0.7
101.07156	1.2
103.05461	2.6
103.16548	0.5
107.04986	0.8
108.38708	0.6
112.31947	0.5
116.98650	0.9
120.08112	57.7
121.08478	1.2
122.07154	1.4
131.04947	1.7
132.08156	0.6
136.06183	2.8
146.06032	0.8
149.06044	1.0
158.09698	1.4
160.11339	0.5
166.08647	40.3
167.09062	1.2
176.10724	1.1
177.10355	0.6
190.08775	0.6
203.11818	1.0
221.12845	6.7
249.12440	3.8
255.97781	0.7
267.13406	9.0
268.11859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05051	7.5
56.96566	6.1
57.03441	10.2
59.55318	4.6
61.02925	8.7
65.57539	6.3
68.92379	4.8
69.03422	21.8
69.07070	26.9
69.50143	18.3
71.04997	6.3
74.06071	18.7
81.03416	9.4
81.04549	6.5
83.46244	4.7
85.02908	100.0
87.08109	17.7
95.04996	8.5
96.02135	6.5
97.02880	16.7
98.22612	5.5
98.97594	7.2
105.07017	8.5
109.02876	13.3
111.04440	15.0
112.04035	7.6
113.34782	5.3
116.98658	5.8
120.04462	5.1
120.08128	7.5
122.07152	21.4
126.05530	13.3
127.03873	7.4
136.06216	41.5
139.03905	13.6
140.03358	5.5
145.04951	17.6
151.02654	40.9
153.05458	7.5
154.05040	33.6
155.05818	7.5
164.10651	7.1
165.04208	14.9
166.05002	66.4
175.07477	5.4
175.31190	4.4
177.05411	5.6
178.05038	11.1
180.06551	25.6
215.07021	5.2
223.89285	4.9
232.06018	11.3
249.12575	5.3
267.13498	9.3
267.16864	6.3
268.08173	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	267.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
56.05043	22.1
56.96567	2.8
57.03442	4.0
57.07064	1.3
58.06613	4.4
59.52958	1.5
67.05515	1.7
69.03432	3.2
69.07047	1.6
69.47160	7.2
71.04971	1.7
74.06083	100.0
75.15929	1.2
79.05497	1.7
81.03447	1.3
81.07066	2.5
82.06509	1.5
84.04523	4.9
85.02897	8.0
87.08102	7.0
88.69480	1.2
91.05467	3.8
95.04977	1.3
95.08585	1.4
97.02891	2.3
98.97574	2.5
101.07140	2.8
103.05491	3.3
105.07021	1.9
107.04949	2.3
107.08542	1.4
109.10181	1.4
110.57890	1.2
111.04475	1.5
112.59689	1.5
116.98648	1.6
120.08115	57.6
122.07153	3.7
127.03948	3.1
131.04836	1.3
136.06219	7.7
142.93298	1.2
145.04971	2.2
146.04425	1.8
147.04382	1.5
148.71054	1.3
149.06076	1.4
151.02678	2.3
153.05476	1.8
155.98567	1.4
158.09769	1.3
160.11339	1.3
166.05005	2.3
166.08644	43.3
167.08997	1.2
180.06537	2.7
203.11990	2.3
221.12950	6.1
227.77974	1.6
248.83090	1.3
249.12424	5.7
263.76025	1.4
267.11234	1.2
267.13501	10.1
268.08310	1.7
268.11853	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.11168	0.1
54.49334	0.1
55.01869	0.2
55.06971	0.1
57.03428	0.6
65.16560	0.1
65.28401	0.1
69.03409	0.2
69.62419	0.7
71.01370	0.2
73.02920	0.3
85.02903	0.4
87.04455	0.1
88.60900	0.1
94.04062	0.4
98.22653	0.2
109.05107	0.1
119.03553	1.2
133.04974	0.1
136.06186	100.0
136.34943	0.1
137.04576	0.4
137.06647	1.0
149.28410	0.2
268.10413	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	268.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32527	0.2
51.24128	0.2
53.87732	0.2
63.48306	0.2
71.08838	0.2
71.29360	0.2
85.31892	0.2
94.93021	2.1
115.48640	0.2
136.94022	7.5
136.95036	0.5
162.95598	4.4
166.97795	0.2
172.98067	0.2
176.93527	0.6
185.34200	0.2
186.95610	0.3
204.96687	0.6
222.97699	1.5
250.97240	2.0
268.98236	100.0
269.98575	2.0
290.82770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67096	0.3
70.70497	0.7
81.03257	0.3
82.60236	0.3
95.39777	0.3
104.99277	100.0
105.99646	0.7
157.02327	0.4
186.99553	19.2
190.33676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1384
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03946	3.4
55.01868	6.0
55.05513	11.2
55.84697	1.4
57.07067	1.6
60.23621	1.4
65.03947	3.1
67.00568	1.5
67.05504	38.7
67.18874	1.4
68.99802	1.4
69.03423	6.3
69.07082	8.7
69.81941	6.7
71.04596	3.1
71.04993	58.6
79.05491	24.1
79.05920	2.6
80.93239	1.5
81.03415	2.4
81.07057	100.0
82.07405	2.3
83.04981	5.8
85.02895	3.5
85.06545	71.3
91.05492	9.1
93.07049	29.2
95.04970	70.6
95.08613	4.9
96.64044	1.3
97.02892	1.4
97.06531	20.1
98.22622	1.5
99.04471	9.9
105.07034	20.3
107.08587	9.0
108.76846	1.7
109.06518	88.9
110.06866	1.7
111.04463	2.2
111.08086	9.6
113.06020	20.8
117.07039	4.5
119.04939	5.3
119.08578	6.9
121.06507	6.2
121.10140	6.6
123.04446	8.0
123.08088	3.5
125.05999	5.1
127.07561	51.4
128.07925	1.5
129.07025	1.7
130.07780	2.7
131.08583	9.3
133.06502	4.7
133.10135	1.8
135.08058	3.7
135.11713	3.9
137.05974	43.5
139.07582	2.6
141.05461	5.4
143.07074	2.4
143.08588	4.7
145.10104	27.1
147.08006	2.7
149.09605	2.5
151.07558	4.3
153.05501	4.5
155.07057	20.0
157.08611	5.7
159.06549	1.4
159.11679	10.1
161.09622	2.8
163.07590	5.1
163.11188	12.0
167.07202	2.0
169.08575	4.3
169.10049	3.5
173.08258	2.0
173.09570	8.4
177.12744	3.8
181.12244	1.6
187.11177	25.6
188.11635	1.8
189.09135	2.2
189.12766	1.9
191.10664	25.1
205.12216	20.9
209.11722	62.0
210.12010	2.7
215.10672	17.5
223.13272	16.8
227.09138	2.5
233.11717	26.5
251.12805	43.9
269.13849	28.7
270.14053	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	269.1609
Annotation	His Ile
Peak:m/z	Relative Intensity
56.05030	1.3
56.96559	0.5
60.04531	1.5
63.38031	0.1
68.05009	0.2
70.06598	1.0
71.30628	0.3
72.08160	0.2
73.02911	0.4
74.06084	0.7
76.00381	0.2
81.04540	1.3
82.05323	0.5
83.06106	9.8
84.08139	0.7
85.02885	0.2
86.09713	2.2
91.05482	0.8
93.04530	8.2
95.06087	1.6
97.02876	0.2
98.97561	0.6
101.00908	0.2
104.07121	0.3
109.02887	0.2
110.07166	100.0
111.05556	0.3
111.06799	0.3
111.07487	1.4
115.02402	0.2
116.98580	0.3
119.01941	0.3
119.04942	0.5
121.03980	0.4
122.07175	0.6
128.98634	0.2
130.06520	0.2
133.03490	0.2
136.07597	2.6
138.05501	3.4
138.06641	3.5
143.01892	0.2
145.03462	0.3
147.04382	0.3
151.03865	0.2
156.07687	10.4
156.97438	0.2
161.02951	0.3
165.05542	0.2
166.06128	0.5
176.07047	0.5
178.13365	2.6
182.08072	0.3
185.03040	0.2
196.06020	0.3
204.06560	0.5
206.12813	0.4
209.03008	0.2
210.08760	0.3
216.07034	0.3
223.15555	6.1
224.15862	0.2
227.03906	0.3
234.12335	0.2
239.04036	0.3
251.15041	6.4
252.15604	0.2
264.03024	0.4
267.48746	0.2
269.16083	13.3
270.09763	2.9
270.13034	0.3
270.16327	0.6
291.30212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	3.4
55.01867	2.7
55.05510	21.2
57.03437	31.3
57.07067	3.4
57.37152	0.8
58.37730	0.9
59.05005	0.9
65.03927	2.9
66.66534	1.0
67.05505	76.4
68.05830	1.1
69.07069	27.7
69.31699	4.8
71.04979	7.3
73.02918	2.0
77.16369	0.9
79.05493	47.4
79.05954	2.3
81.03399	1.7
81.07056	100.0
82.07330	1.0
83.04980	10.0
83.08617	18.5
85.06543	5.8
85.73251	0.8
89.80498	1.0
91.05475	26.8
93.07040	64.6
95.04944	6.9
95.08604	21.8
97.06535	16.8
97.10167	1.8
98.22482	1.0
99.08098	3.3
105.07026	9.0
107.07849	1.7
107.08590	33.0
108.08902	1.1
109.06512	3.3
109.10135	4.4
111.08085	8.4
113.06014	1.3
113.09644	1.7
117.07003	9.2
118.11228	0.9
119.08559	2.5
121.06489	1.5
121.10140	19.9
123.11687	3.7
131.08566	13.0
133.10135	14.4
135.08064	2.2
135.11670	12.0
139.11217	2.1
149.09596	1.5
149.13252	42.8
150.13614	1.1
151.11177	2.1
151.26295	1.2
159.11684	24.4
167.14278	2.0
176.27780	1.0
177.12735	12.1
192.42949	0.9
195.13792	12.4
213.14713	1.2
241.65698	0.9
251.25623	1.0
269.17456	46.4
270.17709	1.3
292.06946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03940	2.7
55.01871	2.6
55.05513	23.4
57.03440	27.4
57.07064	3.5
65.03933	3.1
67.05505	70.8
69.07067	29.3
69.07639	0.9
69.10880	7.2
71.04989	6.4
71.08634	1.7
71.15708	0.8
79.05494	42.3
80.05820	0.9
81.03388	1.4
81.07058	100.0
82.07384	1.0
83.04980	8.9
83.08145	1.1
83.08623	19.1
85.06551	5.6
91.05481	26.3
93.07046	71.4
94.07353	1.0
95.04971	6.4
95.08610	26.4
97.06534	15.8
97.10165	3.1
99.08086	4.0
105.04556	1.4
105.07034	15.4
107.08600	35.1
107.67831	0.8
109.06525	3.7
109.10172	6.4
111.08072	8.3
113.05968	1.0
113.09684	1.1
115.10648	0.9
117.07014	9.2
119.08558	7.7
121.06456	1.1
121.10147	17.7
123.08052	0.8
123.11726	4.0
127.07570	1.5
129.06987	1.4
131.08549	13.1
133.10130	15.2
135.08029	1.7
135.11694	10.9
137.13159	0.9
142.07741	1.2
143.08582	4.4
145.10136	4.7
147.11658	3.3
149.09622	1.2
149.13261	38.1
151.11201	2.7
156.09338	1.7
157.10104	5.6
159.11700	24.2
161.13234	3.5
167.14308	1.3
171.11678	4.6
173.13225	3.3
175.14827	1.8
177.12746	7.8
185.13255	2.9
187.14700	1.5
195.13792	9.1
199.14780	4.5
213.16478	4.3
220.49055	1.0
227.17935	1.2
231.15814	0.9
251.25659	1.8
269.17471	43.6
269.22577	25.4
270.17871	1.0
270.23035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[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
53.03946	4.9
53.73874	0.9
55.01860	3.2
55.05511	26.6
57.03439	31.6
57.07064	4.0
58.39291	1.0
65.03944	2.5
67.05505	81.1
67.24793	1.0
67.57303	1.1
68.05809	1.3
69.03420	1.3
69.07069	31.6
69.78710	1.4
71.04656	1.0
71.05003	8.0
71.08626	1.9
79.05495	44.8
80.05849	1.2
81.03401	2.3
81.07057	100.0
83.04985	8.3
83.08619	20.7
85.06548	5.2
91.05479	27.4
93.07042	70.4
94.07371	1.1
95.04980	8.2
95.08604	30.8
97.06528	16.0
97.10156	2.4
98.22599	1.2
99.08073	4.4
105.07030	14.8
107.08592	34.7
109.06520	3.0
109.10156	7.3
111.08086	9.1
113.09645	1.4
116.70210	1.0
117.07023	11.9
117.12260	1.2
119.08605	5.7
121.06491	1.6
121.10143	19.5
123.11694	5.6
123.88181	1.0
126.21947	1.0
128.94466	1.1
129.06973	1.2
131.08574	12.4
133.10126	15.0
135.08034	1.9
135.11687	13.5
139.07545	1.3
139.11183	1.7
142.07776	1.4
143.08553	2.8
145.10103	4.6
147.11620	2.5
149.13260	41.3
151.11143	1.8
157.10188	6.0
159.11688	24.9
161.13251	4.2
167.14323	2.0
171.11707	3.8
173.13228	3.4
175.14848	1.8
177.12744	11.2
178.49077	1.2
179.14282	1.2
185.13223	2.1
187.14737	1.5
194.21306	1.3
195.13821	13.4
199.14833	3.6
213.16359	6.6
214.84668	1.1
223.34703	1.1
251.25647	6.1
265.52274	1.0
269.17462	47.1
269.22482	21.2
269.26883	1.5
270.17865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01867	2.7
55.05510	21.2
57.03437	31.3
57.07067	3.4
57.37152	0.8
58.37730	0.9
59.05005	0.9
65.03927	2.9
66.66534	1.0
67.05505	76.4
68.05830	1.1
69.07069	27.7
69.31699	4.8
71.04979	7.3
73.02918	2.0
77.16369	0.9
79.05493	47.4
79.05954	2.3
81.03399	1.7
81.07056	100.0
82.07330	1.0
83.04980	10.0
83.08617	18.5
85.06543	5.8
85.73251	0.8
89.80498	1.0
91.05475	26.8
93.07040	64.6
95.04944	6.9
95.08604	21.8
97.06535	16.8
97.10167	1.8
98.22482	1.0
99.08098	3.3
105.07026	9.0
107.07849	1.7
107.08590	33.0
108.08902	1.1
109.06512	3.3
109.10135	4.4
111.08085	8.4
113.06014	1.3
113.09644	1.7
117.07003	9.2
118.11228	0.9
119.08559	2.5
121.06489	1.5
121.10140	19.9
123.11687	3.7
131.08566	13.0
133.10135	14.4
135.08064	2.2
135.11670	12.0
139.11217	2.1
149.09596	1.5
149.13252	42.8
150.13614	1.1
151.11177	2.1
151.26295	1.2
159.11684	24.4
167.14278	2.0
176.27780	1.0
177.12735	12.1
192.42949	0.9
195.13792	12.4
213.14713	1.2
241.65698	0.9
251.25623	1.0
269.17456	46.4
270.17709	1.3
292.06946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02364	1.2
53.03933	4.3
55.01859	4.1
55.05272	1.5
55.05515	23.8
57.03442	27.9
57.07058	4.9
58.19079	1.1
59.83135	1.1
65.03927	3.1
67.05507	81.1
69.07070	29.5
69.17878	5.0
69.18300	4.4
71.05008	8.2
79.05496	46.7
81.03398	2.4
81.07062	100.0
83.04978	10.5
83.08625	21.5
85.06548	6.8
91.04971	1.8
91.05488	26.7
93.07050	65.9
94.07362	1.7
95.04948	4.7
95.08609	29.1
97.06531	16.7
97.10165	3.4
99.08072	3.6
101.05942	1.2
105.06384	1.3
105.07034	13.3
107.04964	1.8
107.08601	33.8
109.06477	3.8
109.10182	6.6
111.08098	10.1
111.11750	1.3
117.07019	10.5
119.08557	5.1
121.06490	1.3
121.10150	22.4
123.08051	1.2
123.11666	4.9
131.08566	12.9
133.10126	15.4
135.08057	2.3
135.11716	11.8
136.06195	1.6
139.11143	2.8
143.08519	2.6
145.10106	3.0
146.83702	1.2
147.11682	2.5
149.12164	2.2
149.13268	39.5
151.11137	2.4
157.10127	3.8
159.11688	22.4
167.14290	2.4
171.11664	1.4
177.12764	11.5
195.13770	11.6
199.14890	1.3
215.59129	1.2
222.02644	1.2
225.10104	1.4
226.10875	1.7
241.13385	2.4
246.55818	1.1
251.20029	2.0
254.10635	1.7
269.12766	8.0
269.17422	44.1
269.22195	6.5
270.17813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.1
55.01866	1.9
55.05513	24.6
57.03437	5.8
57.07074	5.1
62.55915	1.2
65.03938	1.9
67.05507	76.5
68.05840	1.6
69.03436	2.0
69.07070	24.5
69.07422	2.3
71.04992	20.8
72.64742	1.3
79.05495	36.0
79.05967	1.9
81.03434	1.5
81.07058	100.0
82.07372	1.6
83.04988	6.0
83.08615	14.4
85.02901	2.7
85.06544	9.2
91.05481	27.4
93.07049	53.2
95.04941	7.1
95.08608	85.3
97.02917	2.0
97.06538	7.9
97.10182	10.0
98.23462	2.9
99.04440	1.5
99.08139	3.0
103.03934	1.8
105.07026	20.8
107.08599	37.2
107.09281	2.4
109.06509	6.8
109.10158	41.5
109.10908	2.0
111.08103	5.2
111.11731	2.7
111.71216	1.3
117.07034	6.9
119.08573	23.4
121.06512	7.8
121.10141	31.0
123.04482	2.2
123.08074	6.6
123.11720	14.8
125.09637	3.1
125.93615	1.8
128.14365	1.5
129.07036	3.8
131.08582	15.2
133.10130	28.2
135.08046	7.7
135.11693	16.6
137.05969	1.5
137.09624	14.5
137.13231	6.8
139.07581	3.4
141.09094	2.5
142.07773	2.4
143.08527	7.3
145.10129	15.3
147.11665	11.0
149.09630	6.4
149.13281	10.9
151.11185	10.1
151.14850	1.6
153.05534	1.3
153.09122	5.4
155.08543	1.8
155.10623	2.4
157.10159	7.2
159.11690	15.2
161.13263	2.8
163.11223	5.4
167.10683	5.3
169.10147	1.9
171.08047	1.6
171.11734	4.4
173.09641	2.2
173.13240	9.6
175.14850	3.5
177.12758	4.7
179.10762	1.5
181.10106	2.1
181.12292	2.3
183.11699	4.5
185.09615	1.8
185.13324	4.2
187.14828	5.2
189.16440	3.7
191.17984	7.5
195.13875	4.0
197.13231	3.4
199.14880	5.7
209.11615	1.9
209.13452	1.9
209.15396	1.5
213.16446	4.6
215.17938	20.3
221.19173	1.5
223.13185	1.5
227.18158	1.8
233.19029	12.8
251.17885	2.6
251.20116	16.1
269.04489	1.3
269.08261	1.6
269.13882	2.5
269.18857	5.8
269.22601	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	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33748	2.9
55.01872	4.4
59.05000	13.6
60.04532	76.3
68.99808	2.9
69.27689	6.7
69.28095	13.9
71.01362	3.9
75.04485	9.6
77.41287	2.8
87.04468	26.9
89.06056	6.4
90.05559	3.6
98.97590	6.5
103.03944	9.6
119.03424	4.7
130.93344	4.2
131.03407	11.7
136.06128	4.0
138.05403	3.4
151.07573	6.0
161.04457	38.4
190.95436	4.8
191.06978	5.4
217.01329	4.8
217.03444	100.0
224.12813	4.0
235.04480	18.5
270.13458	8.0
271.06183	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	270.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43394	0.3
56.05043	1.6
60.04532	100.0
61.04860	0.6
70.06618	0.3
70.81738	0.5
72.04524	3.0
74.06083	0.7
80.27210	0.3
90.05563	6.4
108.05762	0.6
121.06522	0.7
121.87420	0.4
125.69029	0.3
132.06601	0.8
136.06248	0.6
147.04482	0.4
151.07556	8.2
163.07634	0.5
164.15002	0.4
165.05531	0.4
174.06827	0.6
179.07060	0.3
181.08569	0.3
189.09142	0.8
190.06520	0.4
191.07054	6.3
200.97949	0.4
204.10341	0.5
205.08606	1.5
229.13478	0.3
234.11331	0.7
235.09808	0.9
252.12410	1.3
270.10016	0.9
270.13544	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	270.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.1
56.96569	0.7
57.07065	0.4
60.04530	100.0
60.38060	0.4
61.04863	0.9
70.06583	0.4
70.43674	0.5
70.44009	0.6
72.04520	2.8
73.06567	0.5
77.12955	0.4
79.64847	0.3
85.02917	1.2
90.05561	7.7
91.05499	0.5
97.02928	0.7
98.97619	1.5
101.00911	0.6
104.63208	0.4
109.02983	0.4
113.26402	0.4
116.98663	1.2
121.06529	0.7
123.15707	0.3
128.98682	0.4
132.06612	0.5
138.05524	1.9
143.01886	0.6
147.04428	0.6
151.07552	8.8
158.07329	0.4
161.03142	0.4
163.07603	0.5
166.06346	0.4
172.94438	1.2
174.06725	0.5
179.07127	0.4
182.06705	0.5
190.95486	1.0
191.07054	6.2
191.08713	0.4
205.08694	1.4
207.10156	0.5
216.97005	0.5
217.08813	0.5
235.09789	0.5
247.01535	0.6
247.25769	0.4
252.12390	0.7
265.02808	0.8
270.09903	1.6
270.13498	4.2
293.10889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17688	0.1
64.96004	0.1
65.03931	0.3
67.01869	2.3
68.99792	1.4
69.36385	0.7
86.76859	0.1
87.45265	0.1
89.47634	0.1
91.05483	1.7
98.22514	0.1
109.02847	0.2
111.00793	0.2
116.47782	0.1
119.04945	5.8
121.02874	2.3
125.02388	0.2
129.01837	0.4
129.21788	0.1
130.47095	0.1
131.04909	0.2
141.07011	0.3
145.02847	2.2
153.01828	13.7
153.06969	0.2
154.02115	0.2
163.03893	1.2
165.07057	0.3
169.06482	0.4
170.63722	0.1
171.02892	1.3
185.76833	0.1
187.03903	0.4
197.06041	0.3
202.06435	0.1
203.07014	0.4
225.05481	0.8
229.04930	0.8
243.06482	0.8
247.06047	0.1
271.06003	100.0
272.06363	3.8
293.67981	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68144	0.1
54.01058	0.1
55.05523	0.2
65.03951	0.2
65.11017	0.1
67.01869	2.0
67.05496	0.4
68.99792	1.1
69.03421	0.2
69.07059	0.3
69.20769	0.8
69.21190	0.5
79.05470	0.2
79.06319	0.1
81.07048	0.8
91.05482	1.7
92.99398	0.1
93.07043	0.4
95.08611	1.0
97.10151	0.1
105.07023	0.4
107.08578	0.4
109.10160	0.5
111.00806	0.2
119.04083	0.3
119.04940	5.4
119.08585	0.4
121.02877	1.8
121.06501	0.1
121.10162	0.4
121.93504	0.1
123.11713	0.3
129.01828	0.4
133.10147	0.3
135.11688	0.3
141.06960	0.4
145.02866	1.6
145.10124	0.3
147.11734	0.3
149.13313	0.3
153.01825	12.9
154.02116	0.2
159.11636	0.4
161.13286	0.3
163.03882	0.9
163.14847	0.2
165.06979	0.4
169.06479	0.3
171.02913	1.1
173.13252	0.2
175.14815	0.3
181.06584	0.2
187.03819	0.2
187.14845	0.2
189.16429	0.3
197.05988	0.4
201.16321	0.2
203.07104	0.3
210.82411	0.1
211.07545	0.2
215.17825	0.3
225.05492	0.8
229.04993	0.6
238.66824	0.1
239.07076	0.3
243.06526	0.6
247.06036	0.2
253.04982	0.3
271.06000	100.0
271.24179	1.9
272.03418	0.2
272.06335	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	271.0596
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01875	0.1
59.33096	0.0
65.03941	0.2
67.01862	1.9
68.99450	0.1
68.99784	1.3
69.00160	0.1
69.03402	0.1
69.50943	0.2
71.21921	0.0
79.01859	0.0
81.03409	0.1
83.01323	0.1
91.01859	0.1
91.05476	2.1
95.04962	0.1
95.88607	0.0
97.02884	0.1
98.22587	0.1
109.02869	0.1
111.00807	0.2
115.05447	0.1
119.04939	6.2
120.05291	0.1
121.02863	1.9
125.02367	0.2
127.03947	0.1
129.01851	0.3
131.04936	0.2
141.06987	0.2
145.02831	1.7
145.03960	0.1
145.06511	0.1
152.06201	0.1
153.01819	12.2
154.02159	0.3
155.08516	0.1
157.06500	0.1
159.04514	0.0
159.08069	0.1
163.03903	1.0
165.01683	0.0
165.07028	0.2
168.05717	0.1
169.06445	0.4
171.02890	1.0
173.05965	0.1
177.29141	0.0
183.07986	0.1
185.05850	0.1
187.03911	0.4
187.07733	0.1
197.06015	0.3
201.05475	0.1
202.06248	0.0
203.07068	0.2
211.03946	0.1
211.07584	0.1
215.07123	0.1
225.05429	0.7
229.04988	0.5
243.06482	0.9
247.06029	0.2
253.04900	0.3
270.05197	0.1
271.05988	100.0
272.06323	4.8
272.51910	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01865	0.2
55.05507	0.3
57.03440	0.1
59.30556	0.1
61.29658	0.1
67.01863	1.8
67.05500	0.4
68.99779	1.1
69.03417	0.4
69.07048	0.4
69.14722	1.0
71.04976	0.5
79.05490	0.4
80.21957	0.1
81.03396	0.2
81.07059	0.7
83.04980	0.2
83.08593	0.2
89.53957	0.1
91.05481	2.4
93.07050	0.7
95.04961	0.4
95.08617	0.7
97.06526	0.3
105.00884	0.1
105.07036	0.5
106.18187	0.1
107.08588	0.5
109.06483	0.2
109.10148	0.6
111.00839	0.2
115.05415	0.3
119.04945	5.7
119.08590	0.5
121.02869	1.8
121.06527	0.2
121.10138	0.4
125.09665	0.2
127.11166	0.4
128.06229	0.2
129.01805	0.3
129.07011	0.2
131.08542	0.2
133.10184	0.3
135.08154	0.2
135.11690	0.1
137.05919	0.2
137.09622	0.3
141.06953	0.4
143.08562	0.1
145.02814	1.5
145.10074	0.3
147.11629	0.2
149.09625	0.5
152.06198	0.2
153.01826	11.3
153.06989	0.5
154.02142	0.2
155.08542	0.3
155.10687	0.3
161.13257	0.2
163.03902	0.9
163.14897	0.1
165.06987	1.3
166.11087	0.1
167.10672	0.4
168.05681	0.3
169.06490	0.4
169.10150	0.1
171.02866	1.0
171.11664	0.1
175.11186	0.2
181.06511	0.5
182.07214	0.2
183.08047	0.5
183.11790	0.1
187.04007	0.5
193.06345	0.2
193.15828	0.1
197.06001	0.3
203.07008	0.2
211.07562	0.5
217.12160	0.2
221.05971	0.3
223.16920	0.2
225.05495	0.7
228.07748	0.2
229.04944	0.6
235.16956	0.3
239.07088	0.2
243.06517	0.9
247.06017	0.2
253.05008	0.3
256.07251	0.2
271.06000	100.0
271.24207	0.5
272.06360	4.3
272.09796	0.2
272.10608	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01861	0.1
65.03934	0.1
67.01865	1.8
68.99785	1.2
69.41077	0.4
73.56710	0.1
75.07803	0.1
91.05476	1.9
97.02920	0.1
105.35326	0.1
111.00795	0.2
117.23848	0.1
117.40078	0.1
119.04939	5.9
120.05252	0.2
121.02863	1.9
121.03695	0.1
125.02382	0.1
129.01830	0.3
131.04901	0.1
141.06976	0.3
145.02849	1.5
145.06581	0.1
149.02422	0.1
153.01823	12.4
154.02167	0.2
155.04910	0.1
157.06502	0.1
161.05901	0.1
163.03902	1.0
165.07042	0.2
166.66699	0.1
168.05679	0.1
169.06480	0.2
171.02919	0.9
182.07442	0.1
185.05981	0.1
187.03877	0.3
187.07526	0.1
197.06032	0.4
201.05499	0.1
202.06187	0.1
203.07091	0.3
211.03862	0.1
211.07494	0.2
225.05516	0.6
226.05614	0.1
229.04887	0.5
243.06522	0.9
247.06035	0.2
254.05649	0.1
271.05994	100.0
272.06332	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	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03941	0.7
55.01880	3.5
55.05513	1.4
57.03443	3.5
60.04525	0.5
65.03941	4.2
67.05511	2.5
69.03419	0.7
70.06606	2.5
71.04996	3.9
71.30536	0.6
72.08165	1.2
73.02926	33.1
75.04477	3.6
79.05494	1.4
81.03413	1.3
81.07068	0.7
83.04980	1.0
85.02927	0.6
85.06567	0.5
89.03925	2.7
91.03966	0.9
91.05473	4.5
93.03417	2.0
93.07038	1.3
94.47031	0.5
95.01329	0.5
95.04958	2.8
103.05482	1.1
105.07048	1.2
107.04964	5.1
108.02158	1.0
109.02885	2.0
109.06511	0.8
110.03675	5.9
110.07167	0.5
111.04477	4.6
115.05433	0.9
116.07063	0.5
117.03405	2.1
119.04959	4.1
119.08602	0.7
121.06524	6.8
121.38869	0.4
122.03658	0.9
123.04440	7.2
123.08083	0.6
125.06004	36.9
126.06329	0.7
127.03954	0.6
129.10231	0.6
131.04929	0.9
134.03659	1.5
135.04433	16.8
137.05984	4.3
141.05458	1.8
141.06972	0.6
147.04410	2.7
147.06548	3.0
147.08022	0.6
149.05992	13.1
150.06781	16.3
151.03926	100.0
151.05019	9.0
151.07520	5.2
152.04236	3.3
153.07053	0.6
154.07857	0.5
155.08568	1.3
163.07565	2.9
165.05746	0.7
165.06963	2.7
168.05658	0.6
169.06490	0.7
179.07053	19.0
181.06450	0.7
181.08580	0.9
183.08089	2.0
187.07687	0.5
193.06409	1.2
197.06271	0.7
197.08098	20.6
198.08557	1.1
199.09686	0.9
200.08441	0.7
201.05276	0.4
210.06816	0.8
211.07552	2.9
218.63039	0.4
221.02966	0.5
221.06001	0.8
223.09589	0.5
225.07513	4.0
225.09158	0.6
228.30925	0.5
239.07172	2.1
243.10167	1.2
253.10811	1.9
271.06036	8.6
271.09564	4.0
271.11823	13.7
272.06387	0.7
272.12375	0.5
272.17178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1444
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
56.05032	1.0
57.07090	1.4
58.06596	2.4
64.14260	0.6
67.01868	0.9
67.05496	0.8
69.07063	0.9
73.60271	0.6
79.05497	2.4
81.05804	1.4
81.07043	0.8
81.43311	0.6
91.05482	2.9
93.05800	1.2
93.07053	0.6
93.29406	0.7
94.06573	2.4
95.05000	0.9
96.08134	6.0
99.84293	0.7
100.07603	1.0
104.07127	1.5
106.06564	3.7
108.08121	17.3
109.08920	0.8
110.09685	0.8
118.06508	0.7
119.04942	4.3
120.08144	0.9
122.09677	3.0
129.07034	1.8
129.65965	0.6
132.08145	0.8
134.05995	2.9
136.07591	2.5
141.06975	0.9
142.07806	1.6
143.08539	0.6
144.08084	2.1
146.06018	1.0
153.01807	8.1
154.06526	1.5
155.08539	1.4
156.08124	1.2
157.10139	1.7
158.06065	0.8
158.09622	1.2
159.09212	1.1
160.11284	1.1
163.03975	1.0
165.06892	1.0
166.07716	0.8
168.08159	5.1
168.09396	1.1
169.08873	5.1
170.09637	1.6
171.09183	1.7
172.07573	3.2
172.11349	0.8
174.09157	2.7
177.84470	0.8
181.10112	2.3
182.06079	1.3
182.09674	2.8
183.06728	1.1
183.10406	9.0
184.07571	0.9
185.10733	2.0
186.09190	1.9
186.11513	1.6
194.09677	1.2
196.07605	9.0
197.08376	15.7
197.10339	1.1
197.10794	0.8
198.09138	2.2
198.12807	9.5
199.08661	13.2
199.12334	2.7
200.09244	1.0
200.10922	0.8
200.13057	2.0
208.11220	1.8
210.09166	3.5
210.11389	1.5
211.09926	25.0
212.09525	1.2
213.10234	20.7
214.10973	6.2
215.15465	5.6
225.13881	2.3
226.12274	51.8
227.08203	1.5
227.11757	24.7
228.12567	37.6
229.12915	1.2
238.11160	0.8
239.11882	1.5
241.09695	3.1
241.13361	1.3
242.10486	4.0
242.14236	0.7
243.14931	33.4
244.15189	1.3
253.13351	6.7
254.11757	3.5
254.24852	1.9
255.11310	20.2
256.12070	24.9
257.12332	0.8
271.06030	75.6
271.14413	100.0
272.06332	4.9
272.14716	4.8
272.25882	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	272.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.05039	1.1
56.96572	0.8
57.03434	1.6
60.04528	100.0
60.05654	1.1
61.02927	1.1
61.04832	0.5
64.45994	0.4
65.03933	0.7
69.03428	2.8
69.27731	1.1
69.28136	1.5
70.06593	11.6
72.04518	3.7
72.08164	0.7
73.02921	2.4
81.03410	0.9
84.96032	0.6
85.02908	6.1
90.05556	11.7
92.05014	0.6
93.03403	0.8
95.04965	0.4
97.02903	2.4
98.06077	0.6
98.97584	1.9
101.00874	0.8
102.02428	0.7
103.05430	0.5
105.03436	0.9
108.14549	0.4
109.02908	0.9
110.03635	0.7
110.06050	1.9
110.07194	0.5
110.97557	0.6
112.08741	1.1
114.61581	0.4
116.07087	2.2
119.01851	1.0
121.02795	0.6
123.04427	0.9
125.06004	0.8
127.03925	2.5
128.02353	0.5
131.01904	1.0
131.04926	0.7
132.06509	0.6
133.02811	2.0
137.68501	0.4
138.03258	0.7
143.00143	1.0
143.01907	4.9
145.04929	0.8
145.63634	0.4
146.02312	0.6
147.04283	0.5
149.02307	0.7
153.04182	0.6
153.05472	5.0
155.01897	2.0
157.03534	0.4
157.10861	0.5
158.99677	0.6
159.04424	1.4
161.01715	0.6
161.02919	3.5
165.05434	0.7
173.02959	3.2
174.04485	1.8
175.03891	0.7
175.11922	1.4
177.05464	1.2
181.04887	1.0
182.03386	1.7
183.04991	2.2
183.06543	1.2
185.03040	1.1
188.67342	0.4
191.03891	2.8
192.05594	0.6
193.04875	2.0
198.82961	0.4
200.04390	1.0
203.03958	2.1
206.08153	0.7
207.06491	0.8
213.12413	1.0
215.03992	0.8
219.01807	0.8
219.06459	1.1
233.05064	0.9
236.09203	1.5
237.02789	0.5
237.07520	1.1
245.05116	1.2
254.10233	1.2
255.14471	0.9
261.02914	0.6
263.06064	1.8
272.11295	18.0
272.17169	5.0
273.11664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01863	4.7
55.05513	17.4
57.03445	1.3
60.28425	0.9
65.03938	2.8
65.48331	0.9
67.05508	25.9
69.03430	2.4
69.07071	10.7
69.31448	4.2
69.31875	1.9
70.75259	0.9
71.04980	2.3
72.89703	1.1
79.05058	2.0
79.05495	27.6
81.03398	2.9
81.07062	20.7
83.04975	3.3
83.08636	7.6
85.06545	1.3
91.05486	51.7
92.05801	1.0
93.07047	23.4
95.04987	6.4
95.08612	14.1
97.06552	3.7
97.10176	4.4
103.05473	2.9
105.07036	34.6
107.04959	11.5
107.08597	10.1
109.06525	3.0
109.10145	7.1
111.04369	1.1
115.05471	7.3
116.06229	3.8
117.07022	71.2
119.08591	22.3
121.06508	6.0
121.10138	8.4
123.08080	3.2
123.11684	1.8
125.09629	1.6
127.34574	1.0
128.06210	6.4
129.07019	20.0
130.07840	5.1
131.08569	71.4
132.08937	1.3
133.06506	9.2
133.10110	11.5
135.08052	6.7
135.11713	2.9
137.09624	5.0
141.06989	3.9
142.07774	3.8
143.08574	21.6
144.09320	1.5
145.06480	5.6
145.10126	38.9
147.08064	14.9
147.11682	4.7
149.06012	1.8
149.09676	4.5
149.13243	1.9
151.07593	1.1
153.05621	1.1
153.06963	3.1
155.08563	5.7
156.09241	1.0
157.06499	1.6
157.10135	9.5
159.08081	4.1
159.11720	12.3
161.09622	9.4
161.13234	2.6
163.11214	1.6
167.08598	3.2
169.10129	5.4
171.08038	1.3
171.11713	8.0
173.09615	3.7
173.13280	3.3
175.11201	3.3
181.10104	4.7
183.11624	1.8
185.09653	2.8
185.13246	2.8
187.11197	2.1
189.12895	1.4
195.11691	3.3
199.11212	1.8
199.14806	2.0
209.13188	2.7
211.14929	1.0
213.09114	1.8
213.12828	1.7
213.16415	2.4
215.14297	1.1
217.19458	1.1
226.95485	1.1
227.17955	7.1
237.16389	10.7
241.08556	1.8
245.19019	5.5
255.17447	18.4
273.18500	100.0
274.18637	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	273.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36171	4.1
55.01876	5.3
55.05505	14.3
57.03436	4.4
67.05499	16.0
68.94109	4.3
69.03409	8.4
69.07067	23.8
69.79866	20.6
71.04995	25.8
76.58523	4.7
78.82253	3.9
79.05485	14.6
80.50252	3.0
80.84096	4.2
81.07054	28.1
83.04978	11.4
87.80409	4.1
90.02422	4.2
91.05460	17.6
93.07048	45.8
95.04975	17.5
95.08610	18.8
97.02917	4.8
97.06537	9.2
105.07017	51.7
107.08604	23.6
109.06412	4.3
109.10152	32.6
111.04444	7.7
117.07007	4.6
119.04948	5.3
119.08570	16.7
121.06488	5.7
121.10138	100.0
123.11694	4.2
125.09628	20.1
127.11152	5.5
129.07018	7.0
131.08572	13.4
133.10126	99.9
135.11729	6.2
145.10126	20.6
147.04379	14.3
147.11696	13.5
149.13278	12.0
151.11183	16.6
153.01778	21.4
153.06967	6.9
153.12788	5.2
159.11670	19.0
181.06485	10.1
189.16382	34.1
201.16330	7.5
207.17413	6.9
213.09190	6.3
219.17439	15.0
237.18442	11.3
241.08655	8.1
255.11635	4.7
256.09207	4.1
257.28549	4.8
273.07608	19.9
273.12387	46.7
273.18481	11.6
288.09674	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	273.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.7
55.05511	8.2
67.05502	10.1
69.03406	7.6
69.07065	9.9
69.41528	2.8
70.56647	6.5
70.56982	6.5
70.91722	3.3
71.05003	41.4
72.08154	6.2
79.05499	6.3
81.03434	3.9
81.07056	17.8
83.04971	4.8
83.08572	3.3
85.02902	4.9
85.06561	6.2
86.09719	4.8
91.05493	16.2
93.07036	27.4
94.06565	5.3
95.04954	3.3
95.08615	20.5
97.06549	4.6
97.10154	3.4
98.97601	3.8
100.31687	3.2
105.07043	42.4
107.08599	39.9
109.06525	4.2
109.10152	25.0
111.04439	7.1
111.08076	4.0
115.05470	5.4
117.07039	9.1
118.07365	2.8
119.04945	11.1
119.08569	43.4
121.06509	7.5
121.10121	10.1
123.04430	3.3
123.08104	6.8
123.11688	5.5
125.09624	12.8
127.11180	31.2
128.06195	6.1
129.06989	11.0
131.04945	3.9
131.08577	11.0
133.10135	57.1
135.08063	4.0
135.11708	5.9
137.06015	4.2
139.11180	5.5
141.07004	7.7
143.10696	38.9
143.11751	6.1
145.10127	47.6
147.04471	19.8
147.11673	9.7
149.05994	15.6
151.11180	71.8
152.06252	4.2
153.01830	66.9
153.05537	3.2
153.06970	12.5
157.06508	12.0
159.11723	19.0
160.05243	5.1
161.13255	5.6
169.06541	7.3
171.02951	6.6
171.04425	8.0
173.13283	12.8
174.91446	3.6
175.07587	12.2
181.06468	10.5
184.05193	5.7
185.05925	5.1
191.14233	4.8
195.07997	3.6
198.06720	4.4
199.03915	4.1
199.07504	4.9
201.16435	23.1
203.07030	8.3
212.04665	13.0
213.05486	5.7
213.09062	9.9
219.17421	100.0
227.07025	40.2
231.06573	8.3
237.18486	51.7
238.18761	4.9
241.08633	10.8
243.11426	3.7
244.11925	5.5
245.08054	17.1
255.11163	4.9
273.04242	4.7
273.07544	44.5
273.12299	27.7
274.07996	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	273.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.3
55.01883	7.2
55.05515	7.9
67.05514	7.3
69.03427	7.0
69.07080	13.3
69.24682	24.0
70.06591	5.8
71.04993	42.1
72.08152	8.0
79.05505	9.2
81.03447	5.9
81.07068	15.2
83.04998	3.8
84.08139	6.5
85.06559	8.0
86.09727	5.5
89.03914	4.9
91.05482	16.9
93.07037	28.2
95.04983	9.2
95.05568	3.7
95.08595	17.3
97.02919	4.5
97.06551	6.8
98.97589	12.1
98.99625	3.5
99.04424	4.4
104.58717	3.2
105.05481	4.2
105.07030	41.0
107.08604	33.4
109.06521	6.0
109.10161	20.6
111.04419	3.8
113.09644	3.7
115.05472	14.0
116.98640	7.8
117.03390	5.3
117.07100	7.0
119.04958	3.9
119.08589	49.1
121.06540	8.9
121.10179	9.5
125.09652	14.9
127.11216	26.7
129.07005	12.6
131.08571	12.6
133.10129	47.5
137.05952	5.5
139.11218	5.7
141.06999	13.3
143.04962	9.2
143.10681	47.1
144.05711	4.2
144.08131	4.1
145.10152	36.1
147.04417	5.9
147.11688	11.6
149.04950	4.5
149.05975	29.0
151.07706	4.1
151.11176	76.2
153.01866	12.3
153.07031	8.2
157.06522	15.0
159.11664	17.5
160.05257	9.6
161.13297	6.9
163.03943	15.2
163.11218	6.6
169.06500	14.7
171.04411	8.3
173.13309	9.9
175.07584	25.0
177.05467	6.3
181.06487	12.0
184.05232	13.0
185.05991	9.6
186.06706	3.9
189.09077	4.9
189.23206	3.5
191.14349	6.1
191.17976	4.5
195.13675	3.6
197.05920	4.9
199.03880	11.3
199.07462	5.4
201.09151	5.8
201.16380	24.0
203.06941	17.1
212.04681	20.6
213.05511	19.7
213.09215	10.6
214.06271	8.1
215.07043	4.7
217.08606	6.4
219.17448	86.5
219.19522	5.6
220.18127	3.5
227.06999	100.0
228.07256	5.2
229.08617	11.2
231.06535	16.2
237.18512	54.3
238.10684	3.7
241.04976	4.2
241.08673	6.7
245.08151	46.7
245.12245	4.2
255.06699	6.0
255.11269	6.3
263.03314	3.9
273.07550	40.0
273.12329	18.5
274.10776	4.0
274.18539	6.3
290.94669	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	273.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53290	0.2
55.05502	0.8
57.07082	1.1
67.05503	0.4
69.07069	5.4
71.31435	0.2
79.05489	1.5
81.07068	1.2
83.08619	1.7
84.13969	0.2
91.05478	1.9
93.07065	0.5
95.08614	1.5
97.06564	0.2
105.06999	1.2
107.08610	1.5
109.06497	0.4
109.10161	0.7
111.04443	0.2
115.05475	0.4
117.07018	0.2
119.08583	0.7
121.10173	0.2
123.11711	0.3
123.41789	0.2
125.13273	3.7
129.06975	0.2
131.08554	0.3
133.10181	0.4
135.08055	100.0
136.08403	1.8
137.13242	0.4
143.08546	0.3
145.10121	0.2
147.11708	0.4
149.09616	2.4
151.14882	0.3
157.10120	0.4
159.11555	0.3
161.09599	0.6
163.11163	0.4
171.11613	0.2
174.15622	0.2
175.11174	1.0
185.13181	0.2
189.12703	0.3
209.62752	0.2
217.12230	0.3
219.29692	0.2
243.71489	0.2
255.17395	0.6
255.21349	0.2
273.18619	1.0
273.22144	6.1
273.25510	0.2
274.22491	0.3
274.27414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03931	3.1
55.05512	22.7
57.07078	12.1
62.34988	1.7
64.64440	1.9
67.05509	30.8
69.03407	1.6
69.07070	48.8
71.08612	3.3
71.31261	1.9
79.05493	18.7
81.07060	85.9
82.07365	1.8
83.04993	4.2
83.08618	17.8
84.08130	1.7
91.05488	10.5
93.07049	46.1
95.04929	2.9
95.08610	73.5
96.08937	3.0
97.10154	14.8
105.07036	27.1
107.08597	69.3
109.09441	3.2
109.10158	42.0
110.10524	2.0
111.04450	3.1
111.11716	9.6
117.07001	6.1
119.08589	29.5
121.09286	3.5
121.10145	47.4
123.11726	27.3
125.13251	2.7
131.08600	4.1
133.10141	16.3
135.11702	34.5
137.13271	11.4
143.08551	2.8
145.10095	6.5
147.08121	2.0
147.11708	17.4
149.13266	44.4
151.14822	4.3
153.06975	2.7
157.10184	1.9
159.11795	2.9
161.13289	17.3
163.14822	40.7
163.16191	2.5
166.64615	1.8
175.14832	14.7
177.16374	19.7
185.78725	1.8
189.16438	13.3
191.17981	10.3
203.17957	15.7
213.09190	2.0
217.19522	19.9
231.20969	3.1
255.17381	3.1
273.18533	8.0
273.25757	100.0
274.25977	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55439	0.6
53.57957	0.7
54.98643	0.7
56.96569	11.6
69.07285	4.8
69.07694	1.4
70.95856	1.1
71.59948	0.7
71.95266	2.5
91.42029	0.7
98.97588	100.0
99.97952	0.7
116.98627	42.4
119.01894	1.0
130.93321	1.5
134.99673	9.7
172.94360	4.4
177.00899	0.9
190.95331	2.9
203.02417	1.3
208.96350	0.8
214.95370	2.6
232.96422	5.7
250.97397	2.3
256.96478	11.9
274.97501	73.3
275.97668	1.7
292.98553	37.2
297.99036	0.8
299.00162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.96569	18.4
60.04528	0.9
60.05645	2.7
61.60726	0.6
67.05497	0.7
69.35808	2.8
70.06593	9.7
70.95864	1.9
70.98126	2.4
71.06928	0.7
71.95275	3.2
72.08157	29.9
72.69938	0.6
73.08487	2.1
77.00900	0.7
82.99862	0.7
83.06097	0.7
84.04494	2.4
84.08147	14.7
84.65062	0.6
85.02873	0.7
85.72739	0.6
86.09708	2.5
95.06117	0.9
97.02813	0.8
98.22590	1.3
98.97588	81.8
101.00889	7.2
102.09107	0.6
103.02450	1.7
110.07178	0.8
110.97573	1.5
112.08711	0.8
113.00066	1.4
113.00838	1.3
113.07133	5.1
115.08696	1.2
116.07100	2.0
116.98627	51.7
117.03987	1.2
119.01927	26.7
120.02000	0.9
125.07118	1.6
126.05476	1.0
127.02429	2.8
128.98616	2.6
129.10242	4.5
130.08681	1.2
130.09720	0.9
130.93274	1.2
131.01897	5.0
133.03465	0.8
134.99669	19.8
135.05020	1.0
137.02968	8.0
140.00217	0.7
142.09830	0.9
143.01944	3.3
145.03462	12.1
146.99673	2.5
147.11302	0.8
149.02956	1.7
153.00734	1.3
155.01836	1.3
157.03490	3.5
158.01228	1.3
158.09280	0.9
159.01443	1.0
159.05055	6.0
161.02954	4.6
163.04575	2.4
165.00815	0.7
169.03484	7.3
171.01385	0.9
171.05020	1.2
171.08409	0.7
171.14896	5.1
172.15211	0.8
172.94370	3.9
172.97656	1.0
173.02966	3.1
174.99144	6.8
175.04497	1.5
175.10759	0.7
175.11951	4.8
177.00949	0.9
177.02444	1.4
177.06070	2.7
181.21281	0.6
185.02969	5.5
187.04530	12.6
189.02477	2.5
189.06085	0.8
190.95364	4.8
190.98640	3.4
192.98781	1.0
193.00224	7.4
195.03419	0.9
197.02896	1.9
199.14474	1.6
203.02469	1.3
203.04018	5.1
205.05606	2.5
207.03496	1.4
208.96114	2.2
208.99643	1.4
213.02480	3.3
214.95396	1.2
215.03830	3.3
216.98732	0.8
218.98213	1.0
221.05081	1.6
225.85684	0.8
229.01955	1.2
229.05554	5.0
230.13921	0.8
231.03416	4.1
232.96294	7.0
232.99594	1.3
233.01556	1.0
233.10620	0.8
234.10233	0.9
234.99800	0.7
247.06708	3.1
250.97462	3.9
251.00035	0.7
251.02512	1.7
254.49706	0.7
256.96378	7.3
257.05081	1.3
257.16046	1.8
258.14310	0.7
268.89163	0.7
274.18713	6.6
274.97479	62.5
275.02496	1.6
275.06558	11.0
275.11008	100.0
275.19211	2.0
275.97922	1.0
276.11337	2.1
276.16772	1.0
292.98541	34.1
293.03674	1.9
293.07248	2.0
293.98840	0.8
297.99084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.77270	0.6
58.20918	0.6
60.12420	0.5
65.03950	1.4
67.05499	2.7
68.60192	0.5
68.98298	0.8
69.03429	1.3
69.78513	2.3
69.78874	1.2
82.99830	4.2
83.04963	2.1
85.02943	0.7
86.99371	0.8
93.03403	1.9
95.04972	3.5
97.02893	1.9
98.23301	0.7
98.97576	2.4
101.00882	41.4
102.00961	1.3
103.02431	1.1
105.00377	0.6
107.03481	0.9
109.01407	2.5
111.02913	0.6
111.04436	2.2
113.00836	0.8
115.02446	1.7
116.98636	1.3
119.01924	64.5
120.02006	2.0
121.02875	6.7
125.00787	0.8
127.02417	18.6
128.02599	0.8
129.03983	1.7
131.01915	1.3
133.03470	1.2
137.02956	9.5
139.02415	1.9
139.03940	1.3
141.03955	1.0
143.01874	4.6
143.05533	2.3
145.03465	53.5
146.03593	1.8
147.01439	0.8
151.02383	1.9
153.03937	3.0
155.01892	0.7
157.03471	11.8
159.05009	1.9
161.02939	6.9
161.06421	0.8
161.19945	0.7
163.04515	2.6
167.01849	3.3
169.03468	68.7
170.03632	2.1
171.01385	1.9
171.05031	10.0
172.05070	0.7
173.02928	1.3
175.04501	3.1
179.01962	1.6
183.04980	1.0
185.02962	28.7
185.06555	2.0
186.03169	0.7
187.04524	79.3
188.04668	2.7
189.02443	2.2
189.06081	2.0
193.03429	1.1
195.05057	4.8
197.02957	16.1
198.03122	0.9
203.02069	1.2
203.03967	5.7
205.05588	9.4
210.06227	1.0
211.04543	5.8
213.02470	1.2
213.06088	4.2
215.04016	16.3
216.04413	0.6
221.02916	5.5
229.05574	50.2
230.05751	2.7
231.03551	2.7
231.07213	0.7
239.03918	3.7
247.06650	30.7
248.06895	1.0
249.04585	1.8
257.05084	4.6
275.06116	100.0
276.06302	4.9
292.98593	0.8
293.07162	18.8
294.07349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.17209	0.8
53.03936	2.6
54.98183	0.8
55.01868	3.0
55.05271	1.3
55.05516	15.8
57.03432	2.0
57.07064	1.2
65.03955	2.2
67.05510	22.2
69.03438	1.9
69.07068	12.2
71.04988	3.4
71.10668	1.5
79.05499	23.0
81.07063	27.8
83.04993	3.1
83.08633	6.2
85.06557	2.5
90.00639	0.8
91.05486	46.4
93.07053	20.6
95.04963	4.8
95.06921	0.9
95.08049	1.3
95.08617	18.9
97.06561	3.2
97.10167	3.6
103.05479	2.7
104.06252	1.1
105.07038	62.6
107.04974	4.9
107.08601	17.0
107.09299	1.7
109.06528	3.2
109.10159	8.4
111.08095	1.5
115.05453	1.1
116.98621	1.4
117.07022	12.8
119.08587	32.9
121.06508	3.6
121.10165	8.2
123.08035	1.5
123.11722	2.3
125.09632	1.0
129.07008	2.5
131.08582	17.1
133.06520	2.4
133.10138	45.4
135.08037	3.1
135.11688	5.9
137.09576	2.2
137.13272	1.2
141.07033	1.6
143.08574	3.2
145.10138	15.3
146.10863	1.2
147.08029	1.7
147.11696	25.6
149.09641	8.9
149.13248	3.8
151.11169	1.3
155.08546	3.1
157.10133	4.0
159.11711	9.7
161.09665	1.9
161.13263	6.1
163.11182	5.1
169.10193	2.0
171.11693	3.6
173.09625	1.3
173.13266	4.9
175.11252	1.9
175.14890	1.0
183.11760	3.2
185.13284	2.2
187.11243	1.6
187.14874	1.2
189.01903	1.4
189.12755	1.4
191.14272	1.2
197.13268	3.4
201.12741	1.6
201.16368	1.2
203.14453	1.0
209.56589	1.0
211.14825	1.9
215.14290	2.0
215.17844	1.8
216.64639	0.9
217.12326	1.2
229.19534	2.4
233.15459	1.0
239.18034	4.9
247.20651	2.3
257.16180	1.5
257.18967	8.7
275.20087	100.0
276.20450	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.4
55.01865	5.1
55.05313	1.2
55.05518	12.9
55.78378	1.2
57.03442	3.1
57.07068	5.4
67.05505	21.7
69.03429	2.3
69.07076	11.5
70.06581	4.2
71.05003	2.3
71.06924	1.9
71.08614	2.2
79.05492	26.7
81.03403	2.2
81.07060	45.8
83.04985	2.9
83.08615	4.7
85.06541	1.7
88.07623	6.1
89.07968	2.7
91.05484	39.4
93.07043	24.3
93.40336	1.3
95.04974	7.2
95.08614	19.8
96.08979	1.7
97.06507	4.6
97.10159	1.8
98.02364	1.6
98.22634	2.9
102.09185	1.9
103.09506	1.6
105.07039	46.7
106.08662	4.5
107.04967	9.7
107.08577	15.9
109.06521	12.9
109.10144	9.1
113.09566	1.5
117.07034	10.8
119.08587	30.6
121.06516	7.2
121.10138	14.6
121.26842	1.3
122.10452	1.5
123.08092	5.4
123.11784	3.2
129.07022	3.0
131.08572	16.4
133.06485	3.0
133.10135	27.6
135.08052	6.3
135.11687	5.1
137.09642	3.9
141.07034	1.8
143.08582	2.9
145.10144	15.2
147.08098	2.5
147.11687	20.7
149.09607	9.2
149.13307	2.2
151.11237	3.1
155.08504	2.8
157.10138	4.1
159.07986	1.7
159.11725	11.8
161.09659	2.6
161.13281	5.8
162.40057	1.3
163.11227	6.7
165.12781	2.5
169.10107	1.3
171.11699	2.2
173.13316	7.6
175.11166	3.3
177.12775	3.5
181.12318	1.4
185.13263	2.7
187.14822	2.9
189.16441	1.6
191.14255	2.9
193.12315	1.4
197.13260	2.7
201.12820	1.9
215.14378	1.7
215.17957	2.6
229.15939	1.7
229.19481	3.8
233.15463	1.6
239.18001	4.0
247.20654	5.8
249.78282	1.7
251.84647	1.7
257.19000	12.2
257.26767	3.8
275.20096	100.0
275.27756	51.5
276.20422	4.8
276.28036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03952	1.7
55.01861	4.0
55.05519	13.5
56.89324	1.0
57.03438	1.4
57.07055	1.3
60.32501	1.1
65.03912	1.1
67.05511	19.6
69.07069	11.3
69.51609	6.3
71.04993	2.3
79.05500	22.4
81.07061	23.4
82.07370	1.1
83.04981	2.1
83.08636	5.9
85.06541	2.1
91.05486	40.3
93.07056	23.7
95.04970	4.5
95.08617	14.2
97.06538	4.3
97.10177	2.6
101.06011	1.1
103.05472	2.3
105.07037	52.9
107.04962	4.6
107.08603	17.4
108.18866	1.1
109.06531	4.1
109.10179	7.2
111.08089	1.0
117.07030	9.1
118.53037	1.1
119.08597	36.1
119.09462	2.3
121.06508	3.5
121.10141	7.4
123.08067	2.9
123.11691	2.3
124.75615	0.9
124.90798	1.0
125.09603	2.2
129.07024	2.8
130.07794	1.1
131.08585	12.6
133.06509	2.1
133.10138	40.2
135.08058	4.4
135.11674	4.3
137.09648	4.2
138.91013	1.0
143.08545	2.9
145.10129	14.6
147.10594	1.8
147.11694	20.1
149.09552	6.2
151.11189	4.8
155.08565	1.3
157.10112	3.0
159.11694	8.0
161.13252	7.3
163.11162	6.5
165.12767	2.8
169.10152	1.9
171.11731	2.4
173.13239	4.9
175.11159	2.7
177.12761	2.8
181.12299	1.0
183.11687	2.9
187.11232	2.1
188.66888	1.0
197.13303	3.0
211.21367	1.0
215.18022	1.6
229.19568	4.8
239.18004	5.8
247.20529	3.1
257.19009	10.7
259.84390	0.9
275.20078	100.0
276.20282	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03952	2.6
55.01880	2.6
55.05513	15.7
57.03431	4.5
57.07078	4.8
65.03926	1.5
65.35597	1.0
67.05170	1.7
67.05508	15.8
69.03439	1.2
69.07072	9.9
69.77982	5.6
70.06609	5.6
71.04994	2.6
71.06942	1.7
71.08630	2.5
79.05496	21.8
81.07063	25.0
83.04991	3.4
83.08624	5.3
88.07643	7.5
89.07988	1.8
91.05489	42.7
92.05820	1.2
93.07047	19.7
95.04966	3.9
95.08607	15.3
96.30453	1.2
97.06535	3.5
97.10165	2.6
102.09145	1.3
103.05475	2.5
104.06287	1.2
105.07037	55.1
106.07355	2.1
106.08670	3.5
107.04958	4.0
107.08585	13.9
107.51498	1.4
109.06525	6.5
109.10181	5.8
111.08106	2.9
115.05413	1.7
117.07029	10.9
119.08589	43.1
121.06476	3.8
121.10173	8.2
123.08067	3.4
123.11590	1.2
128.54358	1.1
129.07011	3.3
131.08575	18.3
133.06465	1.2
133.10135	31.3
135.08061	4.3
135.11693	4.8
137.09613	3.8
141.06984	1.4
143.08589	4.9
145.10147	15.3
146.10895	1.6
147.08090	1.3
147.11691	27.1
149.09599	7.4
149.13194	1.8
151.11229	2.0
155.08496	2.0
157.10126	4.4
159.11717	14.9
161.13271	8.5
163.11154	2.4
165.09103	1.3
169.10104	2.5
171.11690	3.7
173.13275	11.5
175.11169	2.9
175.14832	1.9
177.12808	1.4
183.11671	3.0
185.13281	4.3
187.11243	1.3
187.14720	1.6
189.12833	1.7
191.14279	2.0
197.13176	2.7
197.66763	1.2
199.14851	2.6
201.12790	4.0
203.14366	2.8
213.16368	1.4
214.81053	1.2
215.14087	1.5
217.16029	1.5
229.19576	2.7
233.15492	1.7
239.17918	4.5
247.20689	1.6
257.18997	10.4
257.26752	3.6
268.58548	1.2
274.27383	2.4
275.20071	100.0
275.27756	60.9
276.20438	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03945	2.0
55.01865	2.5
55.05516	10.5
56.05018	0.8
57.03441	1.3
57.07068	1.3
65.03937	1.9
67.05504	14.0
69.03411	1.1
69.07076	8.1
69.78581	2.8
71.04997	1.7
79.05491	18.2
81.07059	16.9
83.04974	2.7
83.08601	4.2
85.06545	1.9
88.07610	1.8
91.05484	32.1
93.07042	13.9
95.04986	4.1
95.08611	10.9
97.06525	2.9
98.97587	2.3
99.08085	0.9
103.05428	1.3
105.07030	48.1
107.04948	3.2
107.08591	12.9
109.06503	3.1
109.10137	4.0
110.69399	0.9
111.08075	1.6
116.98609	1.4
117.07020	9.2
119.08582	30.4
121.06522	2.7
121.10114	5.4
123.08092	2.1
123.11696	1.4
129.06978	2.0
129.99658	0.8
131.08588	11.8
133.06557	0.9
133.10136	31.8
134.10352	1.1
135.08035	3.5
135.11676	2.9
137.09621	2.4
141.07002	1.0
143.08568	2.2
145.10121	14.3
147.07964	1.0
147.11687	20.8
149.09668	5.6
149.13271	2.3
151.11183	1.3
157.10132	2.4
159.11685	8.6
161.09686	1.5
161.13274	5.5
163.11186	3.3
169.10071	1.6
171.11714	2.1
173.13242	4.3
174.99496	0.8
175.11192	1.4
177.12732	1.1
183.11705	1.4
185.13342	1.3
187.11124	1.0
197.13295	1.5
201.12735	1.6
205.12308	1.0
229.19545	2.6
233.15402	1.1
239.17955	3.4
247.20522	1.9
257.19016	8.5
274.97702	1.0
275.20062	100.0
275.27896	2.0
276.20505	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	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01880	2.6
55.05513	15.7
57.03431	4.5
57.07078	4.8
65.03926	1.5
65.35597	1.0
67.05170	1.7
67.05508	15.8
69.03439	1.2
69.07072	9.9
69.77982	5.6
70.06609	5.6
71.04994	2.6
71.06942	1.7
71.08630	2.5
79.05496	21.8
81.07063	25.0
83.04991	3.4
83.08624	5.3
88.07643	7.5
89.07988	1.8
91.05489	42.7
92.05820	1.2
93.07047	19.7
95.04966	3.9
95.08607	15.3
96.30453	1.2
97.06535	3.5
97.10165	2.6
102.09145	1.3
103.05475	2.5
104.06287	1.2
105.07037	55.1
106.07355	2.1
106.08670	3.5
107.04958	4.0
107.08585	13.9
107.51498	1.4
109.06525	6.5
109.10181	5.8
111.08106	2.9
115.05413	1.7
117.07029	10.9
119.08589	43.1
121.06476	3.8
121.10173	8.2
123.08067	3.4
123.11590	1.2
128.54358	1.1
129.07011	3.3
131.08575	18.3
133.06465	1.2
133.10135	31.3
135.08061	4.3
135.11693	4.8
137.09613	3.8
141.06984	1.4
143.08589	4.9
145.10147	15.3
146.10895	1.6
147.08090	1.3
147.11691	27.1
149.09599	7.4
149.13194	1.8
151.11229	2.0
155.08496	2.0
157.10126	4.4
159.11717	14.9
161.13271	8.5
163.11154	2.4
165.09103	1.3
169.10104	2.5
171.11690	3.7
173.13275	11.5
175.11169	2.9
175.14832	1.9
177.12808	1.4
183.11671	3.0
185.13281	4.3
187.11243	1.3
187.14720	1.6
189.12833	1.7
191.14279	2.0
197.13176	2.7
197.66763	1.2
199.14851	2.6
201.12790	4.0
203.14366	2.8
213.16368	1.4
214.81053	1.2
215.14087	1.5
217.16029	1.5
229.19576	2.7
233.15492	1.7
239.17918	4.5
247.20689	1.6
257.18997	10.4
257.26752	3.6
268.58548	1.2
274.27383	2.4
275.20071	100.0
275.27756	60.9
276.20438	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	2.8
53.52945	0.8
53.63620	1.3
55.01867	3.5
55.05266	1.5
55.05510	16.6
55.20907	0.9
57.03438	10.0
57.07080	1.9
59.04991	1.4
65.26682	0.8
66.65658	0.9
67.05505	26.6
67.40192	0.9
69.03432	2.3
69.07070	15.2
71.04984	2.8
71.32023	1.1
73.06579	1.0
79.05492	26.9
81.03426	2.7
81.07057	58.7
83.04975	3.3
83.08626	6.8
85.06538	3.4
90.91128	0.8
91.05482	45.5
93.07047	27.3
93.07623	1.9
95.04962	3.7
95.08609	27.4
95.75727	0.8
97.06518	8.1
97.10186	3.1
99.04476	0.9
100.04129	0.9
103.05510	2.3
105.07031	65.0
106.07372	1.1
107.04950	5.5
107.08587	20.1
109.06519	17.8
109.10162	11.6
111.08081	82.6
112.08394	1.3
115.05481	1.1
117.07033	14.3
119.08580	39.4
121.06520	3.2
121.10145	12.0
123.08067	33.6
123.11707	6.5
125.09644	1.9
128.06194	1.4
129.07033	5.7
131.07603	0.7
131.08566	20.7
133.10126	38.5
135.08055	4.6
135.11716	5.4
137.09621	22.1
137.13185	2.3
143.08574	4.2
145.10112	12.3
147.08075	1.9
147.11681	20.2
149.09605	7.3
149.13260	4.7
151.11174	2.9
155.08612	1.2
157.10133	4.0
159.11710	13.8
160.12285	0.9
161.09662	1.2
161.13271	7.7
163.11215	3.7
163.14841	2.8
165.09003	1.1
165.12726	1.0
169.10121	1.4
171.11736	3.1
173.13252	6.5
175.11209	2.1
175.14842	3.3
177.12788	1.5
177.16508	1.5
183.11679	1.6
185.13284	5.7
187.11137	1.0
187.14738	2.2
191.10728	1.0
191.14389	1.4
193.12193	2.0
197.13287	2.5
201.12784	1.2
201.16360	5.5
201.35526	0.9
203.14268	6.9
205.16040	1.1
211.14752	1.3
215.17932	2.1
217.15944	1.8
219.17445	29.9
229.19496	2.4
233.15303	1.5
233.18942	1.1
237.58762	0.9
239.17934	4.3
247.20569	3.4
257.19058	10.1
257.22647	2.9
275.20099	100.0
275.23633	16.2
275.27792	3.8
276.20471	3.4
288.66882	1.0
293.24014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03918	0.9
55.01874	1.5
55.05514	9.8
57.03436	1.4
57.07080	12.7
58.06583	1.5
58.07407	2.4
62.06100	1.0
65.03931	1.1
65.14805	0.7
67.05506	12.3
69.03430	0.8
69.07079	7.8
69.28153	0.8
69.37550	5.2
69.43945	0.7
70.06596	17.0
71.04995	1.5
71.06937	5.8
71.08625	5.2
72.08984	1.0
75.22500	0.7
76.08545	0.7
79.05487	11.0
81.03406	1.4
81.07065	14.7
83.04970	2.5
83.08611	3.6
85.06519	1.5
86.67192	0.9
88.07635	22.9
89.07957	6.7
91.05487	21.2
93.07043	13.4
95.04971	2.4
95.08618	8.5
97.06540	2.1
97.10133	1.3
98.78617	0.8
98.97581	1.4
102.09193	5.4
103.05461	1.2
103.09514	2.6
105.07040	33.5
106.08664	10.0
107.04942	4.6
107.08521	7.6
107.47980	0.7
109.06567	3.9
109.10156	4.2
111.04414	1.1
111.08112	2.0
116.98609	1.4
117.07021	5.9
119.08585	21.3
121.06473	1.8
121.10139	5.1
123.08052	1.1
123.11718	1.8
125.09622	0.9
129.07016	2.3
131.08575	10.0
133.06497	1.0
133.10144	17.3
134.10451	1.0
135.08073	1.7
135.11716	2.2
137.09619	1.5
143.08585	1.2
145.10121	9.2
146.10944	0.8
147.11687	13.7
149.09633	3.7
149.13290	1.1
151.11176	1.1
157.10144	3.4
159.08031	0.9
159.11699	8.2
161.09653	2.0
161.13295	4.0
163.11182	2.9
169.10077	1.8
171.11758	1.9
173.13295	4.4
175.11229	1.8
175.14864	0.9
177.12761	1.0
183.11685	1.4
185.13264	2.3
187.11220	1.1
189.30226	0.8
196.67757	0.8
197.13293	1.5
199.14738	0.8
201.12750	1.0
203.14307	2.2
211.14871	0.9
216.09254	0.9
229.19513	1.4
231.25267	1.2
233.15369	1.0
239.18039	1.8
247.20644	1.8
257.18924	5.6
257.26669	7.8
274.27368	5.6
275.16666	2.0
275.20087	66.0
275.27762	100.0
276.20444	2.7
276.25024	0.9
276.28036	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
52.04642	0.9
53.03931	3.8
53.99660	1.0
55.01877	8.4
55.05510	19.8
55.68206	0.9
57.07057	1.4
61.21567	0.9
64.34520	0.8
65.03934	2.2
67.05504	19.2
69.07076	12.3
69.58889	4.5
71.04985	2.5
79.05492	19.3
81.03423	2.1
81.07058	41.1
83.04961	3.7
83.05431	1.0
83.08619	4.8
85.06546	1.5
91.05482	60.3
92.05859	1.1
93.07049	20.1
93.17230	1.0
95.04984	3.4
95.08611	13.5
97.06533	10.0
97.10168	2.0
103.05467	2.3
105.07032	100.0
106.07378	2.4
107.04929	6.1
107.08588	12.3
109.06524	2.8
109.10149	4.1
111.08079	1.5
115.05445	1.0
116.06229	1.3
117.07024	12.8
119.08578	44.2
121.06523	2.3
121.10109	4.9
123.08043	1.9
125.09611	1.3
129.07007	1.6
131.08569	21.5
133.10129	55.7
135.11678	3.6
137.09596	1.1
143.08578	2.7
145.10127	15.7
147.10597	1.7
147.11694	20.8
149.09602	3.0
151.11224	2.5
157.10175	3.0
159.11682	7.6
161.13246	4.2
163.11226	2.3
165.09138	2.8
169.10155	2.1
171.11615	2.4
173.13242	2.4
175.11252	1.1
177.12686	1.3
183.11629	1.8
197.13249	2.0
229.19635	1.8
233.15347	1.0
239.18013	1.8
247.16954	1.3
247.20512	2.5
257.18979	6.1
275.20059	80.0
275.27777	2.3
276.20389	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Peak:m/z	Relative Intensity
50.63929	0.4
55.01877	0.5
55.05514	1.8
57.07085	0.6
64.32372	0.5
65.03949	0.5
67.05506	4.0
68.60910	0.4
69.05362	2.1
69.05779	1.2
69.07070	1.6
79.05490	1.2
81.07061	4.0
83.08637	0.6
91.05473	1.9
93.07050	4.1
95.04982	0.8
95.08609	7.3
97.06541	1.8
105.07034	2.7
107.08604	2.6
109.06503	0.5
109.10146	2.7
111.08083	100.0
112.08406	1.6
119.08545	2.0
121.06503	0.4
121.10139	2.1
123.08072	82.4
123.11699	3.2
124.08398	1.5
125.09619	0.4
131.08597	0.9
133.10150	2.1
135.11688	0.8
137.09610	5.2
137.13281	1.4
145.10158	0.9
147.11690	0.9
149.13306	0.6
151.11153	1.0
161.13277	0.9
163.14832	0.7
165.12794	0.8
169.58958	0.5
173.13303	0.7
175.14845	0.8
177.16396	1.5
177.20461	0.4
187.14816	0.8
201.16443	0.9
211.93065	0.4
225.34740	0.4
257.22662	2.7
275.20145	3.8
275.23685	30.4
276.24081	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.237
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	0.8
55.05501	1.8
57.77343	0.5
62.96663	0.5
67.05510	3.5
69.07067	2.3
70.83290	0.6
79.05492	0.6
81.07053	4.3
82.64549	0.5
83.08633	1.8
91.05469	2.3
93.07059	4.7
95.04961	0.6
95.08607	8.4
97.06528	1.6
97.10175	0.5
103.21548	0.5
105.07035	1.8
107.08612	2.6
109.10165	2.7
111.08080	100.0
112.08405	1.8
119.08588	1.7
119.86468	0.5
121.10146	2.0
123.08070	81.4
123.11704	3.0
124.08413	1.4
133.10129	1.0
135.11691	0.8
137.09645	4.8
137.13217	1.1
147.11740	1.2
149.13309	0.8
151.11189	1.5
152.85674	0.6
159.11685	0.7
161.13237	1.4
163.05461	0.6
165.12683	0.5
173.13249	0.7
175.14786	1.0
177.16403	1.7
187.14832	1.0
201.16368	0.6
203.17947	0.7
257.22702	4.4
275.20621	1.2
275.23703	25.9
276.24100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.237
Annotation	5alpha-Androstan-2-en-17beta-ol
Peak:m/z	Relative Intensity
50.25778	0.3
54.35812	0.4
55.01867	0.6
55.05516	2.7
57.07074	1.6
67.05179	0.4
67.05509	5.0
69.07067	4.4
69.54288	1.8
79.05506	2.2
81.07059	8.8
83.05002	0.5
83.08623	2.1
85.06552	0.4
91.05482	2.1
93.07040	5.3
95.04968	1.0
95.08614	11.5
96.08942	0.4
97.06537	3.5
97.10187	0.8
98.23508	0.4
101.30431	0.4
105.04529	0.4
105.07011	2.7
107.08596	3.7
109.06517	1.1
109.10157	5.4
111.08082	100.0
112.08413	1.8
117.07017	0.4
119.08585	3.0
121.10142	3.2
123.08072	36.9
123.11704	5.3
124.08376	0.6
125.09595	0.8
125.13265	0.7
126.19216	0.4
131.08545	1.0
133.10133	2.1
135.08054	0.4
135.11694	1.6
137.09616	26.7
137.13251	2.7
138.09975	0.6
139.11087	0.4
143.08592	0.4
145.10095	1.4
147.11731	1.6
149.09612	0.8
149.13263	1.5
151.11208	2.5
159.11708	1.2
161.13245	1.2
163.11177	0.4
163.14894	0.6
165.12772	0.9
173.13254	1.4
175.14876	1.3
177.16341	0.6
187.14746	0.8
189.16347	0.4
203.17990	0.4
215.18074	0.5
229.19524	0.8
257.20099	0.5
257.22580	3.3
275.20151	3.2
275.23676	21.7
275.26892	0.7
276.24081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2371
Annotation	Androstenol
Peak:m/z	Relative Intensity
55.01871	0.6
55.05510	3.4
57.07079	1.4
67.05503	5.8
68.92215	0.4
69.03442	0.7
69.07072	4.8
70.62551	1.2
79.05495	2.7
81.07059	9.7
83.08620	2.1
83.09059	0.4
91.05468	3.4
91.18089	0.5
92.40896	0.4
93.07052	7.2
95.04971	1.2
95.08607	12.9
97.06528	4.7
105.07042	3.5
107.04978	1.0
107.08587	4.6
108.85177	0.5
109.06547	0.8
109.10167	7.1
111.08083	100.0
111.16639	0.5
112.08411	2.1
117.07029	0.7
119.08582	4.0
121.06515	0.7
121.10138	3.2
123.08071	40.7
123.11703	6.5
124.08418	0.9
125.09653	0.8
125.13270	0.7
131.08582	1.4
133.10139	3.5
135.08105	0.8
135.11670	1.7
137.09619	29.4
137.13243	3.3
138.09911	0.9
145.10121	2.0
147.11664	2.4
149.13280	1.8
151.11156	3.1
151.14812	0.8
159.11717	1.3
161.13293	1.1
165.12756	0.6
173.13226	2.0
175.14842	1.2
177.16393	0.6
187.14833	1.1
201.16431	0.7
215.17914	1.0
229.19533	0.9
230.68790	0.6
257.22580	3.6
275.17468	0.9
275.20148	6.3
275.23712	21.8
275.27625	2.0
276.24051	1.1
283.17993	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	275.2736
Annotation	Kaurane
Peak:m/z	Relative Intensity
51.53439	1.0
53.03935	1.6
55.05512	24.1
55.51178	1.1
57.03433	1.3
57.07080	12.3
57.16265	1.2
59.37648	1.0
60.03075	1.0
64.59325	1.1
67.05507	34.8
69.07072	45.2
71.08639	6.4
79.05492	15.5
80.67584	1.1
81.07060	80.6
83.07130	1.0
83.08141	1.4
83.08620	18.3
83.94453	1.1
85.06467	1.3
85.10175	2.2
86.20181	1.0
91.05482	10.5
93.07045	21.9
95.04948	1.4
95.08612	100.0
96.08927	2.3
97.10178	12.9
105.07034	15.5
107.08599	30.4
109.06479	1.3
109.10159	71.1
110.05872	1.1
110.10483	1.5
111.11716	6.9
111.26051	1.2
117.07014	1.9
119.08591	7.6
121.10149	21.9
123.08063	2.2
123.11712	39.6
125.13300	1.3
131.08571	1.8
133.10133	6.3
135.11710	19.2
137.13264	20.2
137.14272	0.8
145.10127	4.3
147.11667	4.9
149.09521	1.0
149.12131	2.0
149.13272	24.2
149.14456	1.7
151.14796	8.6
159.11652	1.7
161.13278	1.5
163.14818	15.4
165.16399	5.9
166.16679	1.1
173.13257	1.9
177.16396	10.1
179.17931	3.5
191.17973	7.3
193.19551	2.0
205.19510	4.8
218.21461	1.0
219.21025	5.9
228.91235	1.1
233.22849	1.1
257.19058	1.2
275.20132	17.3
275.27335	59.9
276.20352	1.1
276.27722	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	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.7
59.52806	3.3
60.75583	3.9
69.15662	17.9
69.16077	8.4
69.23747	3.4
70.95882	3.9
98.97591	100.0
116.98629	59.5
119.01839	5.7
123.05984	3.2
134.99646	21.1
163.03909	7.9
179.00630	7.7
192.94864	7.6
205.02283	7.5
210.88766	3.2
210.95897	20.0
234.95912	9.7
240.98802	4.9
252.97110	18.2
258.99777	51.6
267.95691	5.5
276.97128	35.1
277.00836	78.0
277.04172	5.7
278.00906	6.5
294.98102	23.8
295.05719	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	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
71.30292	7.4
84.04491	6.5
84.08146	12.4
84.39487	5.6
89.31736	5.6
97.02925	11.1
101.00896	9.7
113.07111	11.5
146.02106	11.1
148.97086	5.0
158.27956	5.8
162.55594	5.8
173.02971	7.2
209.31116	5.8
262.32098	5.5
277.03195	88.0
277.09161	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31516	12.3
56.96568	44.8
69.28864	24.0
69.29272	52.9
84.96058	14.6
88.99170	11.2
98.97586	78.6
101.00879	35.0
101.87948	12.6
110.97579	28.4
116.98637	19.0
119.01923	66.6
120.15878	11.4
128.98633	24.9
131.00101	11.4
131.01917	18.6
133.01768	13.1
143.01927	33.2
157.03572	12.7
161.02954	80.6
161.45461	12.4
161.85866	11.2
173.02957	18.3
175.04588	18.7
185.03008	14.9
219.01854	42.4
237.02788	32.5
245.05072	32.0
277.03391	37.2
277.07272	100.0
295.07056	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27798	8.7
63.91191	7.6
69.03439	15.3
70.82149	10.4
70.91003	12.2
81.34592	7.6
83.18542	6.8
85.02917	8.2
89.80268	9.5
94.10757	8.5
97.02905	25.5
101.00890	24.2
119.01935	34.7
131.01886	10.2
143.01936	17.7
155.01982	13.0
161.02953	47.1
173.03033	15.4
185.03033	11.7
187.04587	10.9
189.04222	10.1
215.04103	14.1
245.05090	20.7
277.03394	45.0
277.09238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0707
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
53.03932	1.5
55.01876	16.8
55.05497	1.5
56.96560	4.3
57.03436	3.8
59.73499	1.3
60.04515	2.7
68.99795	1.5
69.03428	4.6
69.07048	2.0
69.60259	7.6
70.06587	2.6
71.01355	2.1
73.02910	7.6
74.36085	1.4
79.05480	4.2
81.03413	4.6
81.07074	10.5
82.07381	3.1
83.06087	2.6
84.04483	7.2
84.08139	5.3
85.02918	9.4
86.09702	5.2
87.10038	3.0
87.74626	1.4
89.03901	7.2
91.05489	7.0
93.03398	3.6
95.01307	2.3
95.04961	2.2
97.02913	7.0
98.06038	4.0
98.97593	9.8
101.02370	1.5
103.05469	9.9
105.07018	3.6
107.04974	2.6
110.43801	1.3
111.04424	2.1
115.03926	2.1
115.05446	18.7
116.98631	6.4
117.03368	6.7
117.07041	1.8
118.04146	5.1
120.08111	17.9
123.04470	3.3
124.07586	4.1
126.09173	3.1
127.03925	3.6
127.05671	1.4
128.06210	4.0
128.82507	1.4
129.07002	17.5
131.04892	9.9
131.08504	1.5
132.54315	1.6
133.06483	3.2
134.99673	2.6
135.04416	45.1
136.04785	1.4
136.07581	2.9
137.02328	4.6
139.03885	3.8
139.05400	8.9
141.06981	13.7
143.04921	20.6
145.02853	2.3
145.05011	1.7
145.06404	3.7
146.03635	9.7
146.06015	1.6
147.04420	24.5
147.08018	1.9
148.76207	1.6
149.02312	1.8
149.05975	2.3
155.04823	1.8
157.06502	26.1
157.57878	1.4
159.04457	4.4
160.05171	3.7
161.05971	42.5
162.06427	2.1
163.03908	44.4
164.04694	14.6
165.05447	3.6
166.08655	5.3
167.04936	5.7
168.10249	3.2
169.06496	11.3
169.10568	2.9
171.04456	11.1
171.05777	2.4
173.05981	11.3
175.03922	11.6
175.07541	14.0
177.05487	8.3
179.03369	2.1
183.04390	2.5
185.05963	35.1
187.03848	40.1
187.07489	10.2
188.04434	2.2
189.01828	6.1
189.05467	48.2
191.03416	3.2
195.04454	1.9
197.06038	7.5
199.03850	3.2
200.04677	5.4
201.05470	7.6
203.03407	14.1
203.04968	1.8
203.05342	2.1
203.07036	20.9
203.10245	1.6
205.04973	15.6
211.11533	3.6
213.05458	56.8
214.05925	2.6
215.03429	4.7
215.07031	23.4
217.04965	36.0
217.06927	2.9
218.05658	3.7
227.50652	1.6
231.06531	100.0
231.11325	4.6
232.06747	2.4
233.04501	5.4
235.06030	7.7
237.00784	2.6
241.04913	6.6
247.05913	2.4
249.07661	3.5
259.06039	35.0
260.06378	2.5
276.97424	1.9
277.06857	36.3
277.11850	2.3
277.16217	16.2
278.07376	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57704	0.4
53.03939	0.5
55.05516	10.1
57.07080	16.7
65.03943	1.6
67.05501	1.7
68.84085	0.3
69.07070	0.7
71.04986	0.4
79.05489	1.3
81.07073	1.9
83.04967	0.4
83.55860	0.3
91.05481	2.3
93.03397	0.8
93.07037	1.9
95.04978	0.7
95.08592	1.5
95.48923	0.3
98.22641	0.8
105.07027	1.6
107.08595	1.3
109.06503	0.6
109.10159	0.8
111.04485	0.4
119.08569	1.0
121.02876	5.4
121.03970	1.2
121.10142	1.2
129.07036	1.4
131.08559	1.3
133.10172	0.6
135.11703	0.6
143.04895	0.5
145.10156	0.4
147.11682	0.6
149.02350	100.0
149.13252	0.5
150.02690	2.6
157.06500	0.4
161.05980	1.9
161.13264	0.4
167.03421	1.2
175.07553	8.6
190.04979	0.4
203.07062	6.4
205.08638	0.6
221.13222	0.3
229.47351	0.3
270.21381	0.3
277.14453	2.2
277.18390	0.7
277.21710	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	277.18
Annotation	Watsonol B
Peak:m/z	Relative Intensity
50.61181	4.6
55.05517	8.8
63.76971	4.2
67.05501	11.6
69.07060	7.8
70.35659	9.5
77.22807	4.6
79.05497	8.7
81.07060	32.4
83.08653	5.8
91.05499	16.3
93.07045	15.3
95.08589	30.2
105.07036	44.2
107.08622	10.5
109.06520	20.2
109.10159	10.6
117.07043	7.8
119.08585	41.2
121.06537	5.7
121.10157	24.9
123.08047	29.4
127.22890	4.2
128.06235	6.4
129.07053	7.2
131.08604	12.4
133.10149	35.7
142.07828	11.8
143.08545	14.9
144.09369	6.2
145.10118	32.8
147.08034	14.9
147.11702	21.2
149.09630	7.3
157.10149	33.5
159.11690	54.9
161.09636	40.6
161.13342	6.5
171.11705	13.0
173.13275	11.6
175.11214	37.9
189.12735	5.1
189.16469	15.5
199.14807	70.1
200.14975	5.9
217.15872	100.0
235.13232	6.2
253.39281	4.8
277.17947	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01873	9.9
55.05510	5.4
56.25138	0.6
57.07056	1.1
62.98252	0.7
65.03918	0.7
67.05503	6.8
69.07074	4.3
69.27795	0.6
69.66778	1.1
69.67178	1.7
71.08629	1.0
76.68996	0.5
79.05067	0.7
79.05496	8.7
81.03406	0.7
81.07056	38.6
82.07357	0.6
82.94555	0.8
83.04966	2.3
83.08622	2.4
88.44740	0.5
91.05491	4.4
93.07040	9.0
95.04984	0.8
95.08606	7.5
97.06513	1.7
97.10154	0.6
98.22653	0.9
99.08084	0.7
105.07027	3.6
107.08604	5.9
109.06516	13.7
109.10143	3.1
110.68360	0.5
111.04439	11.9
119.08588	4.3
121.10148	4.4
123.08065	1.7
123.11679	1.4
125.05992	3.8
128.06152	0.6
129.07033	0.7
131.08560	2.7
133.10126	3.5
135.08051	1.7
135.11688	4.8
137.05975	100.0
137.13242	1.6
138.06337	2.5
139.45578	0.6
143.08533	1.3
145.10124	1.8
145.72809	0.6
146.63188	0.6
147.08037	1.3
147.11688	4.8
149.02393	0.8
149.09615	2.7
149.13235	1.2
151.07539	2.3
151.11197	0.9
157.10185	1.8
159.11630	1.0
161.09596	4.1
161.13257	1.6
163.11159	2.4
163.14853	1.3
164.92017	1.0
165.09140	2.8
171.11769	1.2
173.13255	0.8
175.11172	4.3
175.14737	1.4
179.10622	2.0
187.14693	0.7
189.12798	1.2
193.12218	0.7
203.17929	4.3
205.19551	0.6
213.16370	2.3
221.18964	1.5
231.17462	6.0
235.13293	1.3
241.15761	1.2
249.18498	2.5
277.18008	5.9
277.21619	3.5
278.21234	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	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.85678	0.6
51.85264	0.6
53.03944	2.5
55.01872	11.1
55.05515	7.3
57.07068	1.3
59.05007	0.9
64.40884	0.6
67.05508	8.7
69.03431	1.4
69.07072	6.3
69.41542	4.1
71.08633	1.2
79.05500	13.2
81.07063	41.0
83.04976	2.7
83.08624	2.4
85.02888	1.4
85.06580	0.9
91.05476	5.7
93.07051	11.5
93.68055	0.6
95.04988	1.6
95.08622	8.4
97.06544	1.6
97.10191	1.6
99.08089	0.8
103.85783	0.8
105.07043	7.2
107.08607	8.9
109.06534	16.9
109.10139	4.2
111.04458	12.5
111.08089	1.9
117.07036	1.0
119.08601	6.9
121.10146	5.9
123.08063	2.0
123.11723	2.5
125.06008	4.3
125.09683	0.7
129.07033	1.6
131.08568	3.8
133.10127	5.9
135.08057	3.0
135.11678	7.0
137.05984	100.0
137.13254	2.3
138.06352	2.3
139.07544	0.7
143.08562	2.0
143.10655	0.8
145.10130	2.4
147.08054	1.5
147.11684	5.8
149.02379	1.0
149.09636	3.6
149.13289	2.3
151.07568	3.4
151.11151	0.9
156.51727	0.7
157.10161	2.3
159.11739	1.6
161.09665	5.8
161.13234	2.3
162.06784	0.7
163.07573	0.7
163.11177	1.9
163.14804	1.2
165.09166	2.1
165.12755	0.8
167.10718	1.1
171.11685	1.1
173.13290	1.3
175.11234	3.8
175.14839	1.5
177.09163	0.9
179.10674	1.7
181.12370	0.8
185.13251	1.0
186.07889	0.8
189.12770	1.1
193.12300	0.8
201.16351	0.8
203.14304	0.9
203.17982	4.7
213.16406	1.6
217.12341	1.2
217.15945	1.0
218.56624	0.7
219.11571	0.9
221.19061	1.7
223.15074	0.7
231.17450	6.6
235.13234	1.5
241.15834	1.3
241.19571	1.0
249.18573	2.6
259.17029	1.7
259.20663	1.6
277.18097	8.7
277.21643	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03951	5.5
55.01629	1.3
55.01873	14.5
55.05514	26.9
57.03450	1.6
57.07084	5.9
62.25658	0.8
65.03949	2.5
67.05508	52.3
68.31671	0.9
69.07072	17.9
70.45422	1.8
70.45758	1.1
71.04996	4.5
71.08638	17.5
73.06559	1.1
77.03915	1.9
79.05496	53.6
80.05859	1.8
81.03419	6.4
81.07062	48.5
83.04969	6.1
83.08617	12.7
85.06541	4.0
85.10156	1.3
91.05484	31.7
93.07052	82.7
94.07354	1.2
95.04969	12.6
95.08611	32.2
97.06532	8.2
97.10159	4.0
99.08091	13.8
101.06005	1.0
105.04549	1.3
105.07034	23.0
107.04945	4.8
107.08600	44.0
109.06507	5.2
109.10168	13.7
111.08080	9.7
113.09658	2.0
115.05443	1.2
117.07025	6.1
119.08583	18.1
121.06501	3.6
121.10159	23.2
123.08067	3.7
123.11669	5.2
125.09664	2.6
129.07018	6.0
131.08560	6.9
133.10138	18.2
135.08075	3.2
135.11693	29.3
137.09576	2.1
137.13246	2.0
139.11215	1.3
141.12756	4.9
143.08583	4.2
145.10138	8.9
147.08069	1.4
147.11691	14.3
149.02362	6.3
149.09685	2.3
149.13258	15.0
151.11211	8.7
153.09094	0.9
153.12738	2.3
157.10149	3.1
159.11694	3.8
161.09634	3.4
161.13274	11.1
163.11177	14.9
163.14790	7.3
165.12708	6.7
169.12341	1.6
171.11703	4.7
173.13327	1.6
175.11180	3.7
175.14839	5.0
177.12766	1.9
177.16385	1.1
179.10690	1.1
179.14270	5.5
181.12230	1.1
185.13216	3.0
187.14760	1.1
189.12813	2.6
193.12230	2.0
195.13759	1.8
199.14847	2.0
203.14371	2.1
207.13815	4.4
213.16463	2.0
217.19525	2.0
221.15341	4.6
231.17465	1.1
231.21065	2.4
235.16902	3.0
241.19493	5.9
249.22226	2.3
259.20563	14.4
277.21640	100.0
278.22025	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	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02372	1.3
53.03955	5.7
55.01878	7.3
55.05516	26.0
57.03444	1.3
57.07076	5.9
65.03928	1.9
67.05511	46.5
69.06728	1.9
69.07072	24.7
69.36184	4.6
69.36581	1.9
71.04982	4.0
71.08633	2.9
71.21013	0.9
77.03925	2.0
79.05500	65.5
80.05791	1.1
81.03422	1.8
81.07065	48.4
83.04986	3.9
83.08628	9.1
85.06542	3.0
91.05489	35.3
93.07053	100.0
94.07396	2.1
95.04978	13.1
95.08615	32.9
97.06528	3.3
97.10167	4.5
99.08086	2.4
105.04507	2.2
105.07040	23.1
107.04952	1.9
107.08601	47.6
109.06533	5.3
109.10155	15.9
111.08087	3.2
117.07011	3.6
119.06035	1.0
119.07772	1.6
119.08585	19.5
121.06583	1.2
121.10152	35.0
123.08086	2.4
123.11703	5.9
125.05969	1.1
125.09627	5.1
127.07567	1.2
129.07021	3.1
131.08562	7.6
133.10135	14.7
135.04529	0.9
135.08060	1.8
135.11702	35.1
136.12042	1.1
137.09612	2.9
137.13269	1.9
139.11142	2.7
143.08583	2.6
145.10143	4.2
147.11707	12.2
149.09587	1.7
149.13263	20.2
151.11263	2.5
157.10161	3.5
159.11676	3.1
161.09651	2.6
161.13281	10.7
163.11197	2.1
163.14857	7.8
165.12767	3.0
171.11717	3.9
173.13261	3.2
175.11223	2.6
175.14867	4.2
177.12804	1.9
177.16364	1.5
179.14313	1.3
181.12372	1.7
185.13298	3.2
189.12767	3.2
193.12257	1.8
195.13937	1.1
199.14818	2.3
201.75935	0.9
207.13849	4.6
217.19586	2.4
221.15372	4.4
231.21042	3.0
235.13275	1.6
235.17004	2.7
241.19565	3.0
249.22066	1.3
259.20609	6.0
261.22083	2.0
277.21652	76.3
278.21799	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	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.68548	0.9
51.02385	1.6
53.03947	4.1
55.01862	1.7
55.05509	18.0
57.07085	2.1
59.04998	1.0
65.03944	1.5
67.05503	34.3
69.07066	16.9
69.07418	1.5
69.17855	7.1
71.04987	2.1
79.05494	75.6
81.03465	1.4
81.07058	40.4
82.07388	1.6
83.04969	1.1
83.08617	7.4
85.06541	1.4
91.05479	29.7
93.07045	100.0
95.04976	4.1
95.08604	27.2
96.68703	1.1
97.06547	2.4
97.10178	2.9
105.04553	1.9
105.07037	16.5
107.08595	54.5
108.08967	1.9
109.06522	2.0
109.10155	16.3
117.07047	2.4
119.06054	1.1
119.08577	14.7
120.19791	1.1
121.10139	46.5
122.85802	1.0
123.08104	1.8
123.11727	5.7
125.09670	2.2
125.35835	1.1
128.80827	1.0
129.07014	2.2
131.08572	4.1
133.10136	15.6
135.08107	2.1
135.11691	57.1
136.12083	1.6
137.13268	2.5
143.08565	2.7
145.10088	2.9
147.11702	10.4
149.09602	3.4
149.13263	28.6
151.11148	1.4
157.10179	3.1
159.11688	4.4
161.09601	2.5
161.13260	6.1
163.11191	2.5
163.14815	8.5
165.12737	1.1
171.11703	3.8
173.13263	3.1
175.11205	1.1
175.14804	3.1
177.12712	1.7
179.10727	1.3
181.12245	2.3
185.13319	3.4
189.12750	2.2
193.10342	1.2
193.12233	1.6
195.13799	2.0
199.14792	2.2
203.14270	1.9
207.13776	4.0
211.09967	1.1
213.16295	2.3
217.19498	3.9
221.15408	3.9
231.21158	1.1
235.16965	3.8
241.19533	3.2
259.20520	6.4
277.21637	78.8
278.21921	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03950	6.0
55.01862	1.2
55.05265	1.7
55.05516	18.0
57.03447	1.1
57.07077	2.5
59.04976	1.1
67.05509	32.9
69.06726	1.2
69.07073	14.1
69.33202	0.9
69.53726	5.1
71.05003	3.5
71.08640	1.6
77.03924	1.4
79.05499	72.4
80.05844	1.1
81.03396	1.0
81.06582	1.9
81.07063	37.1
83.04980	1.9
83.08640	8.3
85.06541	2.4
91.05488	29.0
93.07054	100.0
94.07389	1.8
95.04969	7.1
95.08614	24.4
97.06544	2.2
97.10188	4.2
98.22675	1.3
105.04524	1.9
105.06386	1.0
105.07043	14.8
107.08604	49.7
109.06520	2.7
109.10169	12.5
113.06006	1.0
117.07008	3.7
119.08597	11.0
121.06481	1.3
121.10158	44.7
122.10416	1.5
123.08086	2.8
123.11710	3.2
125.09666	1.1
129.07031	1.8
131.08600	3.1
133.10141	10.5
135.11702	43.0
136.12097	1.8
137.09656	1.0
143.08546	2.6
145.10127	3.3
146.71869	1.0
147.11716	8.2
149.09590	2.2
149.13269	20.5
157.10144	2.3
159.11708	3.0
161.13295	3.7
162.25517	0.9
163.11134	1.9
163.14876	4.6
165.12811	1.6
171.11656	2.3
173.13281	2.3
174.98122	1.1
175.11234	1.8
175.14812	2.7
185.13351	1.8
189.12761	1.1
193.12340	1.7
195.13705	1.1
195.18788	1.0
201.03389	0.9
207.13837	2.2
209.15414	1.1
213.16423	1.9
221.15401	1.4
235.16959	2.4
241.19452	1.4
259.20627	4.3
277.21661	47.3
278.22147	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03937	6.0
55.01875	13.1
55.05270	2.3
55.05514	30.5
55.32271	1.2
56.10522	1.1
57.03436	2.4
57.07072	5.9
60.00933	1.4
65.03937	4.1
67.05507	47.8
69.03436	1.8
69.07073	23.0
70.06589	2.4
71.04984	4.3
71.06938	2.7
71.08615	6.2
74.13556	1.4
79.05499	69.7
79.64626	1.3
81.03429	3.2
81.07062	51.7
83.04974	7.6
83.08627	14.0
84.41497	1.3
85.06523	3.1
88.07642	2.4
89.07954	1.8
91.05489	40.2
93.07047	97.8
94.07437	1.6
95.04968	11.4
95.08051	2.6
95.08614	36.1
97.06532	8.2
97.10173	5.8
98.97617	2.4
99.08095	6.0
100.20962	1.6
105.04526	1.8
105.07030	24.0
107.04961	2.7
107.08594	55.4
108.08953	2.0
109.06522	6.0
109.10159	15.7
111.08074	13.8
113.35987	1.4
116.98594	1.5
117.07040	6.1
119.08588	20.5
121.10149	40.6
123.08083	5.8
123.11735	6.0
125.09648	3.9
129.07011	3.9
131.08575	7.2
133.10138	17.8
135.08041	2.5
135.10675	2.5
135.11693	42.9
135.12677	2.7
137.09656	4.0
139.11212	3.2
143.08569	3.3
145.10123	7.1
147.08145	1.7
147.11693	15.9
148.12099	1.3
149.09615	2.9
149.13274	18.6
151.11177	7.1
157.10121	4.5
159.11682	5.2
161.09767	1.4
161.13274	7.9
163.11211	6.6
163.14766	6.2
165.12744	5.1
167.14371	1.6
171.11707	5.0
173.13277	2.4
175.11194	3.2
175.14877	3.5
177.12779	2.0
179.14400	2.2
181.12323	2.0
185.13327	3.6
189.12712	2.4
193.12273	2.0
193.15912	1.4
195.13814	2.0
198.90953	1.4
199.14793	3.4
203.14351	2.4
207.13844	2.2
213.16399	2.1
217.19627	2.3
221.15442	5.3
231.21065	2.3
235.13211	2.1
235.16919	4.6
241.19484	3.7
249.22090	3.0
259.20636	11.4
259.27255	1.6
277.21646	100.0
277.28271	39.3
278.21878	4.7
296.28928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	6.8
55.01869	3.8
55.05515	19.5
55.62366	2.2
57.03430	4.3
57.07059	5.2
61.50343	2.1
65.03932	2.9
67.05508	48.5
69.07069	23.1
69.29311	16.7
71.05003	3.9
71.08631	24.9
74.49470	2.1
79.05492	75.5
81.03429	3.9
81.07057	64.3
83.04971	5.3
83.08624	9.0
85.06559	2.4
91.05479	32.0
93.07043	100.0
94.07419	2.5
95.04953	10.1
95.08607	36.7
97.06551	4.7
97.10166	3.8
99.08092	14.7
101.63796	2.2
105.07030	29.0
107.04977	5.3
107.08595	58.4
107.82112	2.6
109.06546	5.6
109.10152	15.4
111.08024	2.7
113.78201	2.4
117.07007	4.2
119.08568	16.8
121.10136	41.1
122.71767	2.1
123.08067	2.9
123.11737	2.6
129.07033	3.5
133.10118	10.1
135.11682	57.5
137.09634	3.8
143.08543	3.9
145.10129	7.5
147.11717	6.8
149.13243	18.5
151.11188	10.4
157.10217	3.7
159.11717	2.4
161.13228	8.3
163.11270	5.2
163.14803	5.0
171.11667	4.3
177.12651	2.4
178.54547	2.0
179.14313	25.1
181.21056	2.1
185.13332	2.5
195.13831	3.0
221.15263	4.9
235.13358	3.0
235.16824	4.6
259.20642	7.7
277.08853	4.4
277.21640	90.7
278.21857	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	278.2116
Annotation	Ici 118551
Peak:m/z	Relative Intensity
51.57639	0.6
53.03945	0.8
55.01872	0.9
55.05519	2.8
56.68554	0.5
57.03439	0.7
57.07079	3.2
58.45395	0.6
60.04534	1.5
60.15611	0.5
61.85889	0.5
65.03954	0.6
67.05503	10.3
69.03432	0.7
69.07070	24.0
69.52729	3.4
71.04996	1.4
71.08635	1.2
79.05492	7.2
81.03401	0.7
81.07060	15.1
82.06612	0.7
82.07401	0.8
83.04981	3.2
83.08617	1.2
84.08124	2.3
86.09708	100.0
87.10043	1.0
88.11293	0.9
91.05474	10.3
93.07044	22.1
94.07404	1.2
95.04970	5.5
95.08616	6.1
96.04524	1.1
97.06521	1.5
98.97588	1.9
105.07031	15.0
106.07336	1.0
107.08601	6.3
109.06529	13.3
109.10143	3.8
111.08087	2.4
111.27468	0.6
115.05430	0.6
116.98640	1.4
119.08611	3.2
121.02943	0.9
121.06534	0.9
121.10157	2.9
123.08086	2.3
123.11737	2.3
124.07571	0.6
125.09732	0.6
126.09229	0.6
128.10716	11.5
128.30516	0.7
129.07014	0.8
131.08585	4.0
133.06500	1.2
133.10132	24.1
135.08040	1.5
135.11694	1.0
137.09621	1.6
137.13248	0.9
140.14325	0.8
145.10130	1.3
147.11685	10.7
147.12762	1.0
149.02335	10.0
149.09616	3.1
149.13269	2.7
151.07567	1.3
151.11185	44.7
152.11523	1.8
155.60736	0.6
157.10141	0.9
159.11829	0.7
160.26299	0.6
163.11104	0.7
165.12761	2.2
166.08690	0.6
167.14339	4.7
170.99680	0.7
173.05194	1.5
175.11217	2.6
177.00717	0.9
192.13861	1.8
193.12233	4.5
201.04666	3.9
208.67964	0.7
209.12947	0.6
210.14922	4.9
214.34401	0.7
219.05731	16.7
219.07851	1.3
220.17113	0.6
222.14862	4.8
260.20078	7.9
261.18634	0.9
278.21164	40.1
279.09338	25.5
279.21463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.05508	10.6
57.07072	1.7
58.06604	12.1
58.06889	1.3
67.05508	21.5
68.09231	0.6
69.07072	7.6
69.34303	3.7
72.08138	1.1
72.26402	0.6
79.05498	3.9
81.07056	20.6
82.45856	0.8
83.08629	3.2
91.05489	1.3
93.07035	3.0
93.91613	0.7
95.08611	16.3
95.09229	0.9
97.10180	1.2
98.09711	0.9
98.23316	1.4
98.97591	1.5
105.07072	0.7
107.08591	1.8
109.10152	4.7
114.97633	0.7
116.98593	1.1
122.89566	0.6
123.11708	1.4
125.17664	0.8
149.02344	10.3
175.93909	0.6
189.00641	0.9
219.05692	1.8
247.67708	0.7
278.21600	4.7
278.28427	100.0
279.09314	2.9
279.28775	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	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.1
58.63091	0.5
60.06331	0.4
66.89790	0.5
69.03417	0.5
69.87592	0.5
70.74767	1.3
71.95256	1.5
74.95093	0.5
84.96019	0.8
85.02896	0.6
97.02920	0.6
98.97582	100.0
101.00848	0.5
110.81960	0.5
110.97571	34.6
116.98618	36.2
121.01661	0.8
127.00749	0.5
128.98604	24.9
131.00136	0.9
134.99666	7.6
140.00194	1.0
140.98576	1.1
143.00175	1.3
146.99643	8.2
147.03078	0.5
149.02286	0.6
153.00581	0.6
158.99649	35.8
159.99973	0.6
163.02666	0.5
164.58861	0.6
165.00757	0.9
170.98141	0.6
170.99641	15.5
177.00708	41.1
187.02919	0.5
189.00710	26.9
195.01761	3.3
196.53952	0.5
201.00702	0.6
207.01756	14.1
212.02147	0.7
219.01768	3.1
220.84209	0.5
225.02649	0.5
237.02818	8.6
249.02942	1.4
255.03880	4.6
262.44983	0.5
279.03879	5.2
279.68298	0.5
297.04980	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	31.9
64.58002	0.8
69.59100	0.8
69.69247	4.2
71.95261	1.6
84.96037	11.5
98.22647	0.9
98.97585	83.1
101.00850	2.5
107.10447	0.8
110.97569	8.7
112.99171	4.1
113.00848	0.8
114.97048	0.8
116.98627	22.9
119.01933	4.8
124.98241	1.5
124.99107	18.2
126.97061	1.4
128.98587	6.4
131.00134	3.0
134.99629	3.4
139.00627	1.3
140.98599	9.4
143.00172	32.3
143.01868	2.2
144.98105	1.5
145.53455	0.8
146.99666	1.0
155.00117	1.5
156.38921	0.9
156.41112	1.0
156.98106	1.1
158.98409	1.7
158.99654	22.3
161.01186	13.8
161.02872	3.6
161.17300	0.8
170.99638	1.1
173.01250	1.6
174.89902	0.8
174.99075	1.2
176.99289	1.5
177.00726	20.7
177.02292	1.6
189.00748	1.4
189.02510	1.0
195.01791	2.0
201.00664	1.1
210.02507	0.9
219.01730	11.8
237.02820	95.4
238.03221	1.1
255.03885	100.0
256.04276	1.1
260.04340	1.5
273.04803	3.2
279.03867	37.2
297.04922	36.3
298.25674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84423	8.1
69.06106	60.2
69.06496	9.2
77.34058	6.1
98.23383	16.6
98.97590	100.0
110.97584	17.3
113.74684	8.1
116.98626	30.1
122.32519	6.7
128.98618	20.7
134.99722	8.7
152.20764	7.1
158.99586	34.0
170.99730	10.0
177.00783	26.4
189.00743	36.7
207.01691	15.0
255.03841	7.0
279.04871	54.6
286.68695	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	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	12.2
57.66143	1.2
70.31999	4.2
81.38647	1.3
84.96056	2.5
98.23256	1.6
98.97587	100.0
110.97582	14.5
112.99142	1.9
116.98628	39.1
124.99112	2.8
128.98636	11.0
134.16124	1.3
134.99680	8.9
140.98590	1.4
143.00182	9.9
146.99683	4.7
158.99664	30.1
159.01009	1.8
161.01219	3.8
161.03062	2.1
170.99709	4.7
176.99127	1.3
176.99382	0.7
177.00717	45.0
189.00784	9.1
195.01782	4.2
207.01747	5.9
219.01822	5.2
237.02823	25.4
255.03929	26.0
279.04745	50.0
297.04846	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	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00685	0.6
56.05048	1.2
56.96570	7.0
57.07077	5.2
64.34573	0.5
65.03953	1.0
68.77757	0.6
70.01642	1.5
70.02032	1.4
70.06598	49.5
71.06931	0.6
71.95261	1.1
72.08153	0.6
84.08137	1.1
84.96046	0.8
85.02901	1.3
86.09700	1.0
91.05487	33.0
98.97591	62.1
107.04952	1.4
109.06528	0.9
110.97581	16.1
110.98330	1.2
112.99124	0.7
114.05556	4.5
116.07100	93.5
116.98632	31.7
117.07440	1.0
118.06572	1.8
119.04948	19.4
121.02869	2.0
121.06526	2.2
128.98619	16.8
134.99673	11.1
136.07585	100.0
137.07918	2.2
140.00191	1.0
143.00194	0.7
146.99660	8.1
147.04402	3.9
149.02353	37.3
150.02713	0.8
153.00694	1.1
158.99663	18.8
167.03334	0.7
170.99684	7.4
177.00723	33.5
189.00719	15.8
195.01753	3.5
200.02296	1.0
207.01791	9.2
212.02353	1.0
215.13985	1.3
219.01788	2.2
225.02808	0.7
234.11278	0.8
237.02814	6.9
255.03860	5.9
262.10757	2.1
279.03891	4.2
279.10217	1.2
279.13406	11.5
297.04962	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.4
57.05823	0.5
57.07066	1.2
58.06586	0.4
68.58653	0.3
69.07069	13.3
69.34417	0.8
69.34826	0.7
70.06590	0.3
75.06126	0.2
75.14513	0.3
86.09705	100.0
87.10048	1.3
96.30248	0.3
98.97607	0.8
103.05466	0.7
107.04953	0.6
119.04935	0.5
120.08105	10.2
121.08363	0.4
131.04951	0.6
133.02867	1.0
136.07578	0.9
138.95100	0.3
146.05972	0.4
147.04428	0.4
148.87820	0.2
149.02344	7.0
166.08649	5.6
179.03439	0.4
187.07660	0.3
190.07805	1.0
191.08574	1.3
205.06593	0.3
208.08832	0.3
218.07260	0.8
219.08063	2.5
220.08594	0.4
221.06110	0.3
236.08369	0.9
247.07645	1.5
251.10660	3.1
264.08005	0.5
279.06653	0.5
279.10184	5.3
279.17032	1.3
280.10587	0.3
283.89087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07075	1.2
58.45673	0.3
65.03931	0.3
69.07069	0.8
69.13318	2.3
75.76032	0.3
86.09709	100.0
87.10058	1.2
91.05461	0.8
98.97585	0.5
103.05480	2.0
105.07027	0.5
107.04928	0.5
116.98578	0.3
120.08109	43.0
120.90750	0.3
121.02862	1.9
121.08465	0.5
131.04926	0.5
132.10172	0.7
133.06549	0.4
136.07590	0.3
149.02342	8.7
149.05992	0.4
161.05928	0.7
166.08644	10.3
181.04968	0.6
190.07765	0.5
191.08586	1.2
218.07285	0.5
219.08061	1.1
221.08057	0.5
233.16499	1.3
236.08057	0.3
240.11784	0.4
247.07655	0.6
251.10690	2.4
279.09967	2.2
279.13181	0.6
279.13742	0.5
279.17038	4.1
279.20200	0.5
300.44659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	2.5
55.05514	9.5
57.07082	8.0
65.03937	4.0
67.05507	100.0
68.05841	1.7
69.07066	11.3
71.04990	2.3
71.30139	1.6
79.05061	1.8
79.05500	19.4
81.07057	98.8
82.07380	1.9
83.04963	1.6
83.08628	6.3
85.06556	2.0
88.20314	1.0
91.05475	7.0
93.07050	13.0
95.04987	1.7
95.08608	79.0
97.06542	2.5
97.10181	3.3
98.97575	4.5
99.08072	1.4
105.07045	7.2
107.08607	11.7
109.06528	2.3
109.10162	28.1
116.98633	1.6
117.07005	1.5
119.08588	4.7
121.02872	3.9
121.10135	9.1
123.08083	3.0
123.11706	16.4
128.98616	1.6
131.08546	7.5
133.06395	1.6
133.10132	4.8
134.99637	1.1
135.08075	3.3
135.11693	5.9
135.36171	1.2
137.09637	2.2
137.13249	8.4
141.09111	1.0
145.10101	4.2
146.99681	1.2
147.11681	3.8
149.02350	39.4
149.09628	3.4
149.13271	3.5
151.11266	1.3
151.14867	4.0
157.10144	1.6
158.99640	1.2
159.11691	4.7
161.13240	1.4
163.11208	2.9
163.14868	1.1
173.13304	5.9
177.00725	3.3
177.12790	1.9
179.14407	1.1
181.12170	1.4
187.14828	2.7
189.00746	1.4
191.14290	2.2
195.13818	2.9
209.15440	3.8
219.05684	5.3
223.16962	2.4
243.21138	1.8
250.89604	1.4
261.18542	1.7
261.22092	2.3
267.69025	1.1
279.09329	6.9
279.13657	1.4
279.20078	2.2
279.23245	19.6
279.28552	2.1
280.26355	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03945	1.2
55.01888	0.5
55.05512	11.2
57.03429	1.4
57.07079	2.7
65.03949	2.6
67.05506	98.2
68.05848	1.1
69.05345	3.3
69.05747	0.6
69.07068	9.9
71.04977	1.4
71.08617	1.0
72.60262	0.4
75.10438	0.4
79.05492	14.1
81.07058	100.0
82.07407	1.0
83.04997	1.0
83.08619	6.2
84.48762	0.4
85.06528	1.9
91.05477	5.2
93.07053	12.1
95.04954	1.3
95.08608	83.9
96.08946	1.3
97.06534	1.7
97.10163	4.1
99.04444	0.4
99.08069	0.6
101.06015	0.4
105.07027	3.3
107.08594	9.9
109.06527	1.1
109.10157	49.6
110.10459	0.9
111.08089	0.6
111.11722	1.0
112.68729	0.5
113.09628	0.5
117.07047	1.3
119.08555	3.8
121.06547	0.5
121.10148	9.3
123.08094	0.9
123.11709	24.9
124.12050	0.9
125.09608	0.7
127.07541	1.0
131.08578	4.1
133.10135	3.5
135.08054	1.5
135.11693	4.9
137.09612	1.3
137.13268	9.5
145.10149	3.8
147.11679	2.9
149.02309	3.6
149.09615	1.4
149.13268	3.4
151.11183	0.9
151.14851	3.4
153.09158	0.5
159.11705	2.5
161.13277	1.7
163.11194	1.8
163.14822	1.6
165.12773	0.9
165.16396	0.7
167.10733	0.8
173.13264	3.5
175.14865	0.7
177.12729	1.6
177.16371	0.6
179.14355	0.8
181.12224	2.0
187.14854	2.9
190.08679	0.4
191.14325	1.7
195.13763	2.4
201.16415	0.5
205.15935	1.0
209.15329	2.7
219.21103	1.1
223.16914	3.0
237.18611	1.2
243.21048	2.3
247.70505	0.5
256.01529	0.5
261.22119	4.8
279.09357	0.8
279.19806	1.5
279.23190	34.4
280.23480	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	17-Octadecen-9-ynoic acid
Peak:m/z	Relative Intensity
52.65632	1.1
53.00293	1.5
53.03942	1.1
54.73069	0.8
55.01879	2.2
55.05276	0.9
55.05514	12.6
57.03429	1.7
57.07079	34.3
60.75157	0.9
65.03946	1.4
67.05508	68.4
69.07065	12.7
69.83252	3.1
71.04994	2.8
71.08608	1.7
75.12971	0.9
79.05495	16.4
81.07060	57.1
83.04977	5.6
83.08618	12.9
85.06528	1.5
85.10184	78.9
86.10513	1.6
89.06022	3.7
91.05483	28.4
93.07042	21.2
95.04961	1.3
95.08610	41.0
97.06561	4.7
97.10171	7.3
98.97561	1.9
99.08097	1.2
105.07042	14.3
107.08597	15.3
109.06502	2.2
109.10161	14.6
111.08080	5.9
113.09650	100.0
114.09977	2.2
117.07047	1.9
119.08602	3.3
121.02880	1.3
121.10136	10.0
123.11713	7.1
125.09632	2.6
131.08586	5.0
131.10663	5.0
133.10136	39.4
134.99699	1.2
135.08064	1.8
135.11693	4.9
137.13246	3.0
141.12723	3.1
145.10120	3.3
147.11682	4.1
149.02348	15.8
149.09645	9.1
149.13260	33.5
151.11192	15.6
151.14796	2.0
153.12761	4.4
159.11742	3.0
161.13293	1.3
163.11200	1.8
163.14821	2.6
165.12766	2.2
167.14330	16.9
173.13260	2.3
177.00699	1.1
177.12781	1.2
177.16383	1.3
181.15837	4.2
187.14914	1.4
195.17520	1.3
209.15289	1.3
215.00180	0.9
215.30948	0.9
219.05682	2.1
233.22714	2.8
243.21077	8.5
261.22165	15.5
262.22287	1.0
279.09320	3.9
279.23193	43.9
280.23541	1.8
280.26416	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
53.03943	2.2
55.01860	2.7
55.05272	1.3
55.05513	16.8
57.03430	2.4
57.07074	14.4
65.03938	3.6
67.05505	95.9
68.05829	1.8
69.07065	17.0
69.21436	7.6
71.04994	3.7
71.08631	21.7
79.05064	1.5
79.05496	20.6
81.07057	100.0
82.07397	2.5
83.04977	4.5
83.08620	8.8
83.09941	1.1
85.09711	1.8
85.10185	21.8
91.05483	17.8
93.07047	19.1
95.04953	1.9
95.08607	74.8
96.08936	1.4
97.06539	3.6
97.10171	4.2
98.97604	2.7
99.08100	20.0
105.07023	11.1
107.08595	14.7
109.06488	2.4
109.10156	25.2
111.08108	1.5
113.09646	21.9
117.07015	3.2
119.08607	5.5
121.10149	10.4
123.08041	2.8
123.11713	10.0
131.08600	6.3
133.10129	13.9
135.08055	2.4
135.11702	6.6
137.09581	1.5
137.13239	11.6
139.11211	1.7
145.10120	2.9
147.11688	15.9
149.02356	14.5
149.09641	2.8
149.13258	7.4
151.11234	3.2
151.14835	3.6
153.12737	2.1
159.11673	2.2
161.13295	2.7
163.11214	3.3
163.14838	4.2
165.12773	4.3
165.16310	1.2
167.14314	3.6
173.13243	5.9
177.12793	2.0
181.12288	1.9
181.15892	3.1
187.14806	2.4
191.14336	2.5
195.13773	2.9
209.15437	3.0
219.05704	1.3
223.16827	2.1
233.22729	1.5
233.90459	1.3
243.21130	4.2
250.25148	1.3
261.22156	7.1
279.09503	1.6
279.23199	58.2
279.28763	4.3
280.23547	2.5
280.26312	13.0
300.76886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03952	0.9
55.05513	8.4
57.03448	0.8
57.07081	2.9
59.68760	0.6
65.03663	0.6
65.03944	3.8
66.37732	0.5
67.05506	100.0
68.05837	1.5
69.07071	8.7
69.79332	1.4
69.79702	1.0
71.04996	1.4
74.94041	0.6
79.05065	1.0
79.05495	13.3
81.07059	89.4
82.07402	1.4
83.04982	1.1
83.08625	4.1
85.06548	1.7
85.41488	0.5
91.05490	4.3
93.07047	10.4
95.05006	0.9
95.08610	68.3
96.08948	0.6
97.06529	1.9
97.10175	1.6
99.08136	1.1
105.07044	3.3
107.08580	6.0
108.08862	0.7
109.06514	1.1
109.10159	18.5
117.07026	1.9
119.08572	2.8
121.10134	5.5
123.08117	1.4
123.11709	9.9
131.08601	4.2
133.10115	2.3
135.11673	3.3
137.09602	0.9
137.13261	7.4
145.10118	2.5
147.11703	2.3
149.02347	9.6
149.09584	1.1
149.13223	2.9
151.14816	2.3
159.11673	2.4
161.13225	1.4
163.11188	0.8
163.14807	1.4
165.12730	0.8
173.13277	4.0
177.12779	1.2
177.16405	0.6
181.12224	0.9
182.89771	0.6
187.14774	1.1
191.14394	1.7
195.13817	2.4
209.15340	1.6
214.77449	0.6
219.05656	2.5
219.64703	0.6
223.16869	1.2
243.21146	1.0
261.22104	1.4
279.09341	2.3
279.23218	12.0
280.26489	0.6
280.29926	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05515	22.6
56.05030	0.7
57.07059	2.1
58.06605	13.8
65.03912	0.7
67.05512	7.0
69.07071	18.9
71.08633	0.8
72.08156	0.6
79.05488	2.4
79.96025	0.6
80.04973	0.8
81.07049	6.9
82.06561	0.9
83.04979	7.5
83.08225	0.8
83.08628	10.2
91.05474	3.9
93.07039	1.9
94.06544	0.7
95.04956	0.6
95.08613	7.9
97.10171	5.4
98.22574	1.5
105.07030	1.8
107.08576	1.1
109.10149	2.3
111.11700	1.6
117.06989	0.8
119.08589	1.3
121.10172	0.6
123.11689	1.0
133.10141	0.8
137.13155	0.6
149.02332	2.1
150.02658	1.5
161.06163	0.7
165.07001	1.0
169.10170	0.8
193.10161	1.1
195.08113	1.3
196.04729	0.6
205.10118	0.8
209.09680	0.9
209.13216	1.2
210.22197	1.3
219.11633	0.8
223.11136	1.0
225.09149	0.7
235.14809	0.7
237.09151	0.9
237.12686	0.6
239.10686	1.2
239.14258	1.4
247.78897	0.6
250.25273	1.2
251.10652	0.8
253.15845	1.4
263.14294	0.8
280.09586	1.2
280.26456	10.9
280.29968	100.0
281.15390	16.5
281.27573	0.8
281.30228	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	281.1535
Annotation	Tylimanthin B
Peak:m/z	Relative Intensity
51.17354	0.6
52.48542	0.6
53.03926	1.3
53.21883	0.6
53.22144	0.7
55.01873	1.3
55.05516	10.9
57.07076	0.9
65.03947	0.7
67.05497	2.5
69.03421	1.4
69.07066	1.8
70.74375	0.9
70.74701	1.1
71.04998	1.3
79.05495	5.0
81.07051	3.4
83.04986	44.8
83.08595	0.8
85.02876	0.7
90.17281	0.7
91.05483	10.1
93.07050	4.0
95.04960	2.8
95.08591	2.3
103.05477	1.1
105.07037	8.3
107.08588	2.8
109.06493	0.7
109.10121	1.0
115.05456	2.8
117.07040	5.4
119.08595	3.9
121.06544	1.0
121.10183	0.8
121.85093	0.6
123.08126	0.8
128.06232	2.2
129.07018	4.7
130.07758	1.3
131.08557	2.6
133.06503	2.4
135.08023	1.3
141.06941	3.6
142.07770	2.2
143.04936	2.8
143.08607	3.1
145.06499	2.5
145.10114	1.2
147.08000	1.3
149.09605	3.9
153.06967	3.4
154.07771	2.9
155.08578	5.5
157.06465	1.4
157.10121	2.8
158.07288	1.2
159.08044	3.2
161.05945	1.8
161.09573	0.9
165.07024	5.8
166.07765	2.0
167.08577	4.5
168.09279	1.7
169.06477	0.9
169.10127	4.4
171.08046	1.0
171.11732	1.7
173.05998	0.8
173.09641	2.0
175.07512	1.3
177.09203	1.0
178.07784	4.5
179.08572	8.1
180.09348	2.4
181.06491	2.5
181.10133	5.1
182.07224	2.2
182.10838	0.9
183.07973	4.2
183.11693	1.9
183.95061	0.7
185.05963	0.8
185.09544	1.5
187.07509	1.7
189.09126	1.0
190.07837	0.8
191.08542	2.7
192.09312	2.3
193.10152	7.4
194.10834	1.7
195.08032	4.5
195.11678	4.6
196.08798	2.8
196.12488	1.0
197.06024	1.1
197.09607	7.7
197.13271	1.5
198.06885	1.6
198.10378	1.2
199.07552	1.2
199.11137	1.1
201.09085	1.0
202.09863	1.3
203.08640	0.9
204.09390	0.8
205.10120	4.7
206.10872	2.5
207.08022	1.6
207.11629	3.9
208.08803	1.7
209.09572	3.8
209.13261	2.2
210.10437	1.5
211.07570	2.3
211.11154	3.4
211.14738	1.3
213.09087	1.0
215.10580	1.6
219.08112	1.1
220.12505	2.3
221.09608	2.3
221.13293	2.7
222.10356	1.6
223.07689	1.0
223.11180	7.5
224.08226	0.7
224.11899	2.5
225.09068	8.3
225.12697	1.1
233.09668	2.3
234.10416	0.9
235.11145	2.1
235.14809	4.4
237.09215	1.9
237.12746	3.1
238.09912	4.3
238.13577	3.6
239.10669	6.4
239.14326	8.0
240.11426	1.0
245.13145	0.8
248.12004	2.7
251.10667	2.0
252.11423	1.5
253.12201	1.6
253.15883	7.8
263.14340	5.4
265.12296	2.3
266.12991	2.0
281.15372	100.0
281.30362	1.8
282.15747	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	281.2111
Annotation	12-Hydroxy-5,8,10-heptadecatrienoic acid
Peak:m/z	Relative Intensity
52.40223	3.6
53.03949	8.0
55.01877	49.7
55.05510	39.7
57.03429	5.7
57.07076	42.0
64.56861	3.5
65.03925	4.1
67.05503	73.2
69.03420	8.6
69.07066	42.5
70.60771	7.2
70.61123	4.4
71.05005	6.1
71.08624	12.1
71.73000	3.4
79.05488	46.5
79.50897	3.7
81.03428	17.8
81.07055	66.4
83.04980	30.4
83.08611	20.0
85.02894	4.4
85.06538	30.9
89.25205	3.7
90.48054	3.3
91.05475	43.9
93.07044	53.2
95.04990	16.9
95.08604	49.8
97.06528	73.5
97.10168	20.5
98.97596	5.0
99.08090	13.4
105.07030	39.6
107.04959	6.6
107.08588	28.2
109.06527	11.5
109.10160	21.9
111.08041	6.1
116.98640	6.6
117.06985	5.8
119.08566	20.5
121.06544	5.4
121.10144	25.5
123.08031	9.4
123.11719	8.6
125.09642	14.7
129.07036	6.5
131.08594	6.2
133.06520	5.2
133.10126	29.7
134.99677	4.7
135.11700	15.3
137.09637	29.4
139.11276	3.7
143.08572	5.1
145.06432	4.1
145.10127	6.7
147.08098	4.7
147.11664	23.8
149.09625	11.5
149.13272	12.9
151.11197	26.8
159.11720	7.0
161.05995	9.0
161.13278	10.6
163.11176	14.7
165.07037	6.1
165.12767	14.2
171.11714	8.0
175.11279	4.6
179.14326	8.4
185.13228	4.3
189.05434	7.4
221.08070	8.9
226.39951	3.8
227.17873	6.0
233.08098	6.6
235.07542	4.5
235.20621	7.4
237.07611	5.6
245.19020	11.6
251.09024	4.7
263.09061	4.2
263.20084	100.0
277.00900	5.0
281.07932	9.7
281.12045	3.7
281.21167	41.2
299.06314	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	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.1
62.87336	0.8
69.87469	2.7
71.95271	2.2
98.97586	100.0
99.97930	0.9
116.98627	44.9
134.99669	11.9
153.75983	1.1
160.54428	0.9
219.02072	4.1
220.02069	1.2
235.00017	3.7
240.98761	5.7
258.99799	40.8
260.00024	1.3
273.98792	1.1
277.00830	68.8
278.01025	3.6
283.00018	17.3
295.01947	1.1
301.01031	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65383	0.7
56.96570	11.2
61.02914	1.1
69.03448	1.4
69.79357	2.6
71.95269	2.9
74.06105	1.2
74.91153	0.7
85.02901	2.0
86.09733	1.0
98.97588	100.0
101.97305	0.8
104.10755	1.2
109.37783	0.8
113.43691	0.8
116.98631	52.9
117.26148	0.8
128.98622	0.9
133.31090	0.9
134.99669	17.5
150.07800	4.3
153.00713	1.6
165.05492	0.9
177.00935	2.8
183.59760	0.8
198.96745	1.4
219.02016	3.6
220.48450	0.9
233.03647	1.4
234.99895	1.7
240.98682	1.8
257.97684	1.1
258.99753	36.1
259.99896	2.3
277.00790	62.1
278.01053	2.4
282.99774	1.1
295.01907	1.1
299.98779	1.2
300.02341	2.3
301.01022	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01875	3.5
57.03430	7.0
61.02919	8.9
63.20548	2.0
69.03427	20.6
69.51254	2.2
69.71723	5.6
69.72121	3.8
71.05006	3.1
73.02925	4.2
74.22025	2.3
81.03416	6.8
85.02909	100.0
85.06551	15.5
87.04424	2.1
91.03950	4.9
94.56108	1.9
97.02895	20.2
98.97579	6.2
99.04444	4.0
109.02869	8.7
115.03953	2.1
127.03937	24.9
127.42084	2.2
145.04968	51.1
163.06038	13.8
229.10635	4.3
242.89790	2.2
277.00781	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	283.1694
Annotation	CHEBI:70570
Peak:m/z	Relative Intensity
53.03932	1.2
55.01860	0.6
55.05515	17.6
57.07071	1.0
59.05009	0.4
65.03945	0.5
67.05509	3.9
69.03426	3.6
69.07063	1.1
69.71544	1.9
71.04990	3.1
79.05499	3.0
81.07059	2.0
83.04983	100.0
83.08636	0.9
84.05309	1.5
91.05480	6.3
93.07054	1.7
95.04959	0.9
95.08599	2.2
97.06541	1.0
98.23319	0.7
100.33398	0.4
102.12266	0.4
103.05491	1.0
105.04517	0.6
105.07033	4.3
107.08562	1.0
109.10176	1.1
111.08029	0.6
115.05467	2.4
116.06199	0.5
117.07021	2.1
119.08615	2.3
121.06500	0.7
121.10139	1.0
128.06218	3.8
129.07036	3.7
131.08585	2.9
133.06499	0.9
133.10158	1.0
135.08101	0.8
137.09639	1.2
141.06990	4.8
142.07816	2.1
143.08568	4.3
145.06516	1.2
145.10159	1.2
147.08047	0.7
149.09631	0.8
151.07532	0.4
152.06210	0.6
153.06998	4.5
154.07721	1.8
155.08562	5.6
156.09325	0.9
157.06496	1.0
157.10156	1.4
159.08043	1.1
159.11748	0.6
161.09642	0.8
165.07014	3.1
166.07787	1.7
167.08536	3.6
168.09351	3.3
169.06487	0.8
169.10086	2.4
170.07236	0.6
171.08049	5.6
171.11658	1.3
173.09645	1.1
173.13269	0.6
178.07709	0.6
179.08566	1.6
180.09315	1.0
181.10146	3.6
182.10939	0.9
183.08054	0.9
183.11726	5.2
184.08850	0.8
185.09576	1.9
185.13283	0.6
187.11119	0.6
191.08434	0.7
192.09392	0.5
193.10153	1.4
194.10771	0.8
195.08011	1.0
195.11703	2.8
196.12416	0.6
197.09598	1.2
197.13280	0.6
198.10237	0.4
199.11165	4.0
201.12700	2.1
207.11673	1.8
208.08852	0.9
208.12508	1.1
209.09674	1.7
209.13234	1.3
211.11137	1.0
211.14903	0.8
212.11861	0.5
213.09137	0.8
213.12698	1.9
214.13530	1.0
221.09578	0.6
221.13261	0.6
222.10468	0.7
223.11223	2.2
223.14743	0.7
224.11800	0.5
225.12657	0.6
226.13641	0.4
227.10661	2.7
227.14095	0.6
235.11263	0.7
236.11797	0.8
237.12787	1.0
237.16319	0.9
239.14413	1.0
241.12196	1.5
255.13863	0.5
255.17577	2.0
265.15872	1.9
278.01434	0.4
283.16953	36.6
283.20346	2.2
283.26321	0.8
284.17328	2.0
284.25885	3.1
284.29007	0.5
284.32889	0.6
294.50708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.01872	10.9
55.05517	11.4
57.03446	6.9
57.07079	10.9
61.02945	6.4
65.23999	4.7
67.05501	10.4
69.03436	50.9
69.07063	8.6
70.07460	11.3
70.07848	9.0
71.04993	11.2
72.99081	5.5
73.02909	7.6
79.05476	10.3
81.03413	37.9
81.07048	20.7
83.04976	7.7
85.02907	100.0
87.00829	45.2
91.05482	10.6
91.89140	5.1
93.07042	9.5
95.08601	13.8
97.02899	59.9
99.04451	17.1
105.01872	58.5
105.07036	15.2
107.08595	16.5
108.04458	7.8
109.02885	36.3
109.10149	9.7
119.08593	15.3
126.05497	7.3
127.03049	10.0
127.03918	92.3
127.04792	10.3
129.07062	5.2
133.10153	12.4
145.04961	63.4
145.10158	6.8
157.10118	8.6
159.02924	21.7
180.29581	5.4
183.11717	5.6
184.16943	14.3
184.38924	5.6
199.14845	11.7
203.21104	5.5
211.14781	9.1
231.04941	28.5
249.06050	10.8
253.08604	6.5
266.24905	16.3
284.21890	81.9
284.25879	17.9
285.22159	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	284.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01871	6.7
55.05510	2.5
55.54150	1.6
56.82288	1.4
57.02698	1.3
57.03435	6.8
61.02934	7.2
63.64634	1.3
67.05500	3.5
68.95865	1.6
68.99804	4.3
69.03432	36.9
69.07059	3.1
71.04987	8.4
71.30421	2.8
72.20340	1.3
73.02917	12.6
73.86274	1.7
76.03999	7.8
76.82278	1.7
79.05496	1.7
81.03424	34.6
81.07049	2.9
83.04987	2.4
85.02910	97.0
86.03187	1.7
87.00835	47.4
87.04476	2.4
91.03966	3.1
93.07054	4.4
95.08613	3.6
97.02898	58.4
99.04459	19.1
99.13246	1.6
105.01875	63.8
108.04479	9.6
109.02888	37.1
109.10126	2.0
110.87758	1.5
115.03971	1.5
117.01879	4.8
121.10155	3.7
126.05530	5.4
127.03926	100.0
128.04187	1.8
129.01854	6.3
130.75294	1.3
145.04968	68.8
147.02856	4.4
159.02892	27.9
171.11879	1.7
173.13316	1.6
177.03963	2.4
206.77330	1.3
213.04024	2.5
221.39339	1.4
230.06644	3.9
231.05017	23.5
248.07664	3.7
249.06192	7.2
280.84915	1.4
284.09839	2.8
285.11667	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01872	0.3
56.96565	1.6
57.03438	0.4
60.31747	0.2
62.61842	0.2
69.03484	0.3
70.06587	3.1
71.30424	0.3
73.02969	0.2
84.08164	0.5
85.02892	0.2
86.09710	2.3
98.97588	3.3
101.00880	0.7
104.49504	0.2
107.23085	0.2
109.05136	0.7
109.82964	0.2
110.03527	2.6
110.07168	0.7
116.07111	0.5
116.98627	2.0
119.01928	2.2
128.04591	1.0
132.40425	0.2
134.99672	0.9
135.03033	6.1
136.03291	0.2
137.02946	0.2
140.98898	0.2
141.10210	0.7
142.01695	0.2
144.08716	0.3
152.05678	100.0
153.04094	7.8
153.06081	1.4
158.99870	0.5
160.08194	0.5
169.09712	0.9
172.08240	0.9
177.00977	4.1
178.01028	1.2
179.00813	0.2
201.00999	0.3
202.43791	0.2
213.12425	0.5
216.98669	0.3
217.04115	0.8
219.02007	5.8
220.02116	0.9
221.01849	0.3
225.01039	0.7
234.03630	0.3
234.99730	0.4
243.02036	2.4
244.02394	0.3
260.01840	0.4
260.04465	0.4
261.03076	29.2
262.03226	3.8
278.02679	0.5
279.00519	1.5
284.00177	0.4
284.04733	0.6
284.99545	0.3
285.16595	0.6
290.55856	0.3
302.01245	0.7
303.17612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83889	0.7
52.47892	0.7
52.97599	0.6
53.03952	4.5
55.01876	4.4
57.03434	3.7
61.02912	3.1
63.00036	0.7
65.03943	3.8
66.04258	0.8
67.05500	45.6
68.05827	1.0
69.03429	28.5
69.07061	13.0
70.06582	3.1
70.15271	0.7
71.04980	3.2
71.30936	1.0
72.08138	2.1
72.84014	0.7
73.02934	3.5
79.05496	2.1
81.03419	19.6
81.05821	0.8
81.07047	2.6
82.03731	1.1
82.06579	0.9
83.04963	0.8
84.04492	4.4
84.08141	1.4
85.02906	16.2
85.03417	1.0
86.09693	2.8
91.05470	2.0
93.07024	1.4
94.06560	3.3
95.04968	45.4
95.08625	1.4
96.05265	0.9
96.08142	1.6
97.02889	46.2
97.06545	1.1
99.04456	6.4
101.02396	1.2
103.03941	8.7
103.05487	0.8
105.07076	1.7
108.08102	1.0
109.02872	28.3
109.06524	0.7
110.06047	3.9
110.07167	1.8
110.09683	1.1
112.07604	39.0
113.06010	6.7
120.08118	1.0
121.02887	5.3
121.06505	1.5
122.03171	5.2
122.06016	6.4
122.09670	1.3
123.04413	2.7
124.07582	8.0
126.05531	0.8
127.03918	26.5
132.08086	0.9
133.06488	1.4
136.07582	1.7
137.05997	1.1
138.05498	3.3
138.09105	8.7
139.07527	0.9
139.09506	1.7
140.07059	100.0
141.07375	2.3
145.04861	1.6
147.84958	0.7
148.07564	0.9
149.05969	1.2
150.09114	7.5
151.03899	0.7
152.07071	2.3
158.08252	0.8
161.05945	0.9
161.95439	0.8
164.07079	1.0
165.11324	0.7
166.04976	4.2
166.08633	9.1
168.06538	0.7
170.08133	6.1
170.31757	0.7
177.20647	0.7
178.08630	24.4
180.06512	1.3
182.08109	6.6
190.08609	1.8
192.10201	1.2
194.08145	1.5
198.07666	0.7
202.08707	1.3
206.08121	76.4
207.08427	2.3
208.07309	0.8
218.08095	13.2
220.09692	2.3
225.09125	1.1
230.08267	0.8
236.09138	5.5
248.09178	10.6
266.10260	5.2
267.17288	0.7
284.11292	21.3
284.29568	1.2
285.12036	2.4
303.14761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28754	13.6
55.01871	16.2
56.89778	13.0
56.96561	32.0
59.04993	36.4
60.04520	41.3
63.00048	22.1
67.05514	32.0
69.03447	30.9
69.07063	43.0
70.06592	34.9
70.71677	16.5
70.72019	22.8
72.08159	20.8
74.06051	23.0
74.87123	13.2
84.04496	18.3
85.02914	100.0
86.09705	24.3
87.04461	41.1
87.08120	24.2
95.04936	24.4
97.02888	33.0
98.97585	33.4
98.98466	26.7
105.05488	23.7
109.02890	32.3
110.06056	17.7
110.07176	19.9
116.98627	24.2
121.02939	12.6
127.03957	29.8
130.06560	16.2
131.05103	13.0
132.06694	13.1
136.99034	13.5
137.05974	16.2
138.05496	65.1
145.04947	24.8
152.05705	24.9
166.05016	41.1
166.08755	16.7
166.14378	12.7
170.06033	26.8
175.07536	15.7
203.07118	31.1
209.49806	13.8
227.10391	15.6
248.09335	16.0
260.99460	20.2
261.02798	14.4
284.07724	42.8
284.10995	32.4
284.29449	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	284.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58049	0.6
53.03925	1.0
55.01861	1.3
55.05511	11.7
56.05006	1.1
57.03407	1.6
57.07064	0.9
58.06602	16.0
65.03912	0.7
67.05504	20.3
69.03410	0.9
69.07066	7.7
69.45793	3.5
70.06589	1.6
71.04994	14.1
72.08139	1.9
73.02913	0.6
79.05063	0.9
79.05492	12.1
81.03381	0.9
81.07057	23.5
82.06574	3.0
83.04956	0.8
83.08619	3.6
84.08139	2.8
85.02866	2.0
85.06496	0.6
86.09684	0.9
91.05480	6.3
93.07047	12.8
95.04968	1.2
95.08049	0.8
95.08610	13.1
96.08092	2.5
97.02872	1.3
97.06541	0.6
97.10170	1.2
98.09691	11.9
99.08076	0.8
105.01852	0.6
105.07041	5.4
107.08596	8.6
108.08078	2.4
109.10159	4.9
110.09674	1.4
111.08057	0.6
111.10452	1.1
112.11218	1.6
119.06043	0.6
119.08594	5.1
121.10147	5.7
122.09665	1.3
123.08035	0.8
123.10447	0.8
123.11684	1.3
124.11221	9.9
125.09637	0.7
127.03872	1.2
131.08485	0.9
133.10135	3.3
135.11679	2.3
136.11217	1.2
138.12729	1.9
143.08575	0.8
145.04948	1.2
145.10100	0.8
147.11668	2.2
149.13234	1.0
150.12753	2.0
152.14330	1.0
157.10068	1.6
159.11646	1.1
161.13252	1.8
163.14764	0.9
164.14398	1.5
165.12759	0.6
171.11688	1.2
175.14772	1.2
189.16360	1.0
192.17418	0.9
194.19038	2.1
199.14767	2.2
208.20650	1.3
211.15041	0.7
229.05110	0.8
248.23730	82.0
249.24030	2.7
253.08592	1.2
257.04419	2.4
266.24786	100.0
267.25140	4.3
284.10513	0.7
284.25839	42.6
285.11618	0.9
285.22195	2.7
285.26059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33400	0.6
53.03935	1.8
55.01871	1.7
55.05274	1.0
55.05514	13.2
55.13247	0.7
56.05029	0.8
57.03423	1.0
57.07064	1.2
58.06601	15.3
59.05003	0.6
67.05505	16.1
68.33081	0.6
68.75674	0.8
69.03422	1.0
69.06793	0.5
69.07074	5.5
69.14494	4.8
71.04993	7.3
72.08154	1.3
75.35647	0.6
79.05496	8.3
81.03423	0.7
81.06575	1.2
81.07058	19.7
82.06562	1.2
83.04987	3.1
83.08622	4.2
84.08144	1.9
85.06531	2.2
91.05488	5.3
93.07042	9.8
94.07373	0.5
95.05001	1.2
95.08611	19.6
96.08130	1.1
97.06515	1.3
97.10156	1.3
98.09681	4.7
105.07024	4.3
107.08598	5.7
108.08113	0.8
109.06413	0.8
109.10162	6.3
111.08080	4.2
112.11248	1.1
113.09644	0.6
119.08595	5.2
121.10155	3.7
122.09646	1.0
123.11700	1.3
124.11231	3.4
133.10112	3.9
135.11681	1.9
138.12798	0.8
139.11137	0.6
143.08546	0.6
145.10194	1.0
147.11673	2.0
149.13226	1.4
152.14383	0.8
157.10092	1.5
159.11632	0.7
161.13208	1.4
175.14842	0.8
197.13229	0.8
199.14799	2.5
208.20604	1.3
210.18526	1.1
211.14728	0.7
248.23738	34.1
249.24069	1.5
253.08478	0.8
257.04233	0.5
266.24789	67.4
267.25034	3.6
284.25836	100.0
285.11545	0.8
285.22406	2.9
285.26160	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	284.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25607	0.3
53.03912	0.8
55.01847	0.4
55.05510	5.2
56.05013	0.4
57.03407	0.6
57.07054	0.6
58.06605	6.5
65.03924	0.6
67.05505	11.8
69.03403	0.7
69.07067	4.1
70.06556	1.1
71.05001	1.5
71.16118	0.5
72.08121	0.6
79.05489	8.5
80.05777	0.3
81.03380	0.6
81.07053	10.0
81.26241	0.3
82.06541	1.0
83.04945	0.6
83.08566	1.0
84.08165	1.4
85.02846	0.8
85.06511	0.7
86.09702	0.5
91.05484	4.6
93.07041	9.8
94.07375	0.3
95.04932	0.6
95.08604	10.4
96.08097	0.7
96.08892	0.3
97.02848	0.5
97.06496	0.6
98.09686	4.3
105.01830	0.4
105.07036	3.4
107.08599	3.5
108.08099	0.6
109.02824	0.3
109.10152	2.1
110.09636	0.5
111.08072	0.5
111.10416	0.5
112.11206	0.4
117.07000	0.3
119.08571	3.6
121.10137	3.1
122.09637	0.4
123.11648	0.5
124.10498	0.3
124.11235	3.5
127.03854	1.0
133.10123	2.4
135.11690	1.8
138.12732	0.7
140.14317	0.3
145.04881	0.7
145.10074	0.4
147.11639	0.8
149.13286	0.5
150.12799	0.6
152.14355	0.7
159.11620	0.4
161.05859	0.3
161.13232	0.8
165.06984	0.4
175.14783	0.6
178.15884	0.3
193.06474	0.5
199.14787	0.5
206.19016	1.3
213.16347	0.3
221.05933	0.6
222.22118	0.5
225.09116	1.3
248.23743	10.4
249.24156	0.5
253.08595	1.0
257.04520	0.7
266.24780	100.0
267.25159	4.6
284.25845	13.2
285.11288	1.2
285.22125	0.6
285.26099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3312
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.87739	0.2
55.05522	0.4
57.07080	6.3
58.06598	1.7
59.07159	0.2
60.08166	23.0
63.81657	0.2
69.22816	1.6
79.39581	0.3
81.07045	0.6
84.02565	0.2
85.10168	1.2
86.46127	0.3
122.60265	0.2
171.58980	0.3
194.91621	0.2
279.00925	0.3
284.33105	100.0
285.18359	0.3
285.33472	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	284.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01604	3.0
69.48631	16.3
69.49026	6.1
88.27715	2.8
99.84491	3.0
104.99275	14.0
120.96646	100.0
132.14764	3.5
195.66486	3.4
202.96967	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	285.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
54.78751	1.1
55.01867	4.4
55.05500	2.5
57.03434	5.0
57.07056	1.4
67.05485	2.8
69.07067	1.6
69.92647	1.3
69.92984	4.9
71.04980	2.8
79.05488	7.0
81.07053	2.6
85.06551	8.7
90.34692	1.1
91.05486	18.4
93.03405	1.8
93.07044	5.8
95.04981	3.1
95.08585	1.7
97.06519	1.7
100.11275	3.5
103.05475	3.3
105.03401	3.4
105.07026	20.4
106.04177	2.6
107.04968	12.0
107.08606	1.8
107.27953	1.1
108.05764	1.3
109.06507	3.6
115.05473	3.6
117.06985	1.2
118.04147	2.1
119.04957	21.6
121.06496	8.3
121.10118	1.8
123.04450	2.4
123.08109	2.8
125.05995	2.0
133.06490	13.9
134.03638	4.1
135.04417	6.8
135.08073	1.4
136.05196	5.5
137.05988	4.0
138.03191	1.5
139.07542	1.3
140.04691	11.6
145.06381	1.3
146.03630	1.4
147.04411	6.3
149.05998	17.0
149.09557	1.3
151.07529	12.2
153.05467	100.0
154.05852	1.8
161.04736	2.2
161.05995	28.8
165.07008	2.4
167.07065	16.4
168.07829	65.9
169.08141	1.7
177.05496	3.3
178.06276	1.1
179.07042	8.8
180.07742	1.2
181.08606	4.3
182.07365	1.4
182.09299	1.9
193.08603	26.4
196.07314	63.4
197.07716	2.0
209.08061	4.3
210.06746	2.2
210.08694	1.8
211.09651	45.0
211.17453	1.3
212.10042	1.3
221.05971	1.2
225.09148	3.6
253.08597	5.0
253.11012	1.1
285.11615	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	285.2214
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05512	19.1
57.07081	8.2
66.53867	3.7
67.05514	32.0
69.07076	76.0
69.19080	31.3
70.99815	3.7
71.04997	8.7
78.81730	3.9
79.05510	16.3
81.07061	47.2
83.08622	16.6
91.05496	26.5
93.07053	41.4
95.04981	14.5
95.08612	53.0
97.06527	21.4
97.10182	4.6
98.22652	10.3
105.07042	77.2
107.08597	46.6
107.86834	4.0
109.06528	31.2
109.10160	36.4
111.08053	8.2
117.07027	7.0
119.08583	97.5
121.06546	12.1
121.10165	40.6
123.08066	7.0
123.11709	32.2
131.08571	13.1
133.10143	65.4
135.08083	14.6
135.11719	16.8
137.09615	8.6
137.13287	6.6
143.08571	10.0
145.10164	24.6
146.07301	12.8
147.08162	4.9
147.11732	29.0
149.13353	4.6
155.08670	4.8
156.09396	6.9
157.10175	17.7
159.11742	17.7
161.09621	100.0
161.11684	4.0
161.13332	10.6
163.14854	4.6
169.10144	11.2
171.11743	9.1
173.11911	4.7
173.13312	16.1
175.11188	8.4
175.14838	83.4
177.16408	17.0
182.10934	7.8
183.11726	8.6
185.13312	14.0
187.14786	6.8
189.16467	8.0
193.15950	13.5
197.13303	14.3
199.14792	8.9
201.12885	6.7
203.14413	4.5
203.17987	4.3
211.14893	23.3
215.18106	4.7
225.16544	4.1
227.17995	5.1
257.22668	5.3
258.60156	3.9
267.21121	19.2
285.18887	9.4
285.22125	84.3
285.25128	7.9
285.30078	6.2
285.33490	9.2
286.22427	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	286.0922
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
54.88659	0.8
56.05028	1.0
57.03436	1.3
58.83553	0.7
60.04518	2.8
61.02906	1.2
68.05036	1.1
69.03419	3.2
70.02955	0.9
70.06613	1.0
71.01339	1.0
71.11831	1.3
72.04502	2.3
81.03412	1.0
84.04519	4.4
85.02913	3.5
86.06064	0.7
86.09711	1.3
88.03973	0.9
92.05009	0.8
96.02135	1.3
96.04514	1.1
97.02888	1.0
99.71551	0.7
100.03936	0.8
102.05534	1.3
109.02873	4.0
109.05267	0.8
111.03175	2.2
111.04427	7.0
112.03955	4.1
113.02327	0.9
114.05513	2.4
116.07076	2.4
118.05019	0.9
120.04459	1.7
124.03956	1.7
124.07597	1.0
126.03118	1.4
126.05493	6.9
127.03861	0.9
130.04988	3.2
132.06570	1.8
134.06030	2.1
136.07564	1.2
138.05496	1.8
139.03087	0.5
139.03896	21.8
140.03423	48.9
140.04475	1.8
141.04173	2.3
141.05464	3.1
145.59172	0.8
148.03915	4.4
148.05975	1.6
150.05487	0.8
151.02637	2.6
152.03378	2.0
153.04399	0.8
153.05432	3.6
153.12077	0.8
154.04991	20.7
155.03372	2.6
155.05766	62.2
156.06554	10.8
161.04773	1.5
162.05519	3.0
164.03459	1.7
165.04228	17.0
165.05588	1.0
166.05013	22.4
167.03415	0.8
167.05415	1.1
168.06561	17.6
173.09230	1.4
176.03471	0.8
176.07054	1.5
177.04192	1.1
177.05510	1.0
178.04964	7.3
179.05788	5.7
180.06551	46.5
181.07248	3.2
182.04456	3.6
190.04945	2.2
191.05783	1.2
192.06587	3.2
193.07285	1.5
194.04449	1.0
194.08168	1.5
195.05263	1.3
196.06079	7.1
197.06837	9.0
198.07579	5.0
204.06528	2.3
206.04387	1.3
208.06091	6.8
209.06821	7.9
211.10558	0.9
217.41995	0.8
220.06068	2.3
221.06796	1.0
222.07715	4.1
226.07143	2.2
227.07877	4.3
228.07916	0.8
232.06032	1.9
233.19130	0.8
238.07069	3.5
240.08662	8.6
250.07228	5.1
268.08163	12.3
286.09204	100.0
287.09488	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	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
57.03446	4.5
61.02924	1.5
69.03429	8.7
69.26379	2.4
69.26808	4.7
70.02946	1.0
70.06605	1.6
72.04520	2.1
72.08149	1.6
73.02912	2.2
77.08121	0.9
79.01828	0.9
79.05499	1.0
84.04501	2.5
85.02911	24.0
94.02943	1.1
96.02129	4.7
96.04501	4.1
97.02878	3.2
100.03963	1.1
106.06555	1.4
107.01314	1.3
107.04980	1.6
109.02885	3.5
110.03696	0.9
111.03192	1.9
111.04447	13.3
112.03980	13.0
114.05532	2.4
116.07090	2.2
120.04504	2.0
123.03172	2.0
124.03938	1.2
125.05998	4.2
126.03144	1.0
126.05521	9.9
130.05043	1.1
133.02885	1.2
134.02380	2.5
134.06004	3.2
136.07475	0.9
138.05537	1.3
139.03903	21.1
140.03409	9.1
140.04305	1.2
148.03928	3.7
150.05534	1.3
151.02660	43.4
151.03807	2.2
152.03142	0.9
152.06998	1.0
153.05435	4.0
154.04999	43.3
155.03342	1.9
155.05791	11.6
156.06624	1.2
161.04745	2.1
162.05508	4.3
164.03459	1.4
165.04227	27.4
165.05435	1.7
166.05005	100.0
167.05386	1.9
168.06580	2.8
169.04953	1.8
176.07095	2.8
177.04166	1.6
177.05550	1.4
178.05000	7.6
179.05762	2.7
180.06564	46.7
181.07285	1.8
182.04414	1.9
189.04242	5.6
190.04987	4.2
191.05838	1.4
192.06581	2.0
193.07307	5.2
194.04482	1.4
194.08044	1.2
194.64540	0.8
196.06071	1.5
197.06886	1.1
204.06609	10.4
206.04355	1.1
208.06117	3.2
209.06844	2.1
217.03740	2.9
218.04491	2.2
221.06927	1.1
222.07564	3.8
232.06052	15.4
236.05594	2.2
240.08702	1.1
248.15172	0.9
250.07118	17.0
268.08182	57.4
269.08414	2.5
286.09222	31.5
287.05661	2.2
287.11194	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	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05527	0.2
57.05829	0.4
57.07077	7.8
58.06605	1.5
62.06094	0.4
69.59834	0.8
70.06601	1.6
71.08636	4.0
72.08157	24.3
76.58319	0.2
82.91150	0.2
85.10175	1.3
87.04477	0.5
88.07623	1.8
90.09195	18.8
91.09509	0.2
111.08086	0.2
174.18492	0.4
187.93138	0.2
197.34349	0.2
203.31247	0.2
208.62587	0.2
212.23761	0.3
226.25229	0.3
230.24815	1.6
240.26955	0.3
242.28305	0.9
254.11308	0.2
268.26495	0.2
286.31039	100.0
287.05466	2.1
287.31354	5.0
297.50247	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3103
Annotation	ES-285
Peak:m/z	Relative Intensity
53.00288	0.4
55.05489	0.3
55.55966	0.3
57.07077	12.6
58.06603	2.5
61.91658	0.3
62.05787	0.6
62.06089	7.8
66.51336	0.3
68.41489	0.3
70.06566	0.4
71.08636	6.4
72.08170	2.3
85.10188	2.5
86.06064	0.5
87.04483	0.7
90.09206	1.9
93.07057	0.4
98.22536	0.7
120.91442	0.3
143.07892	0.3
153.01833	0.7
189.69261	0.4
268.30014	4.2
286.31039	100.0
287.05502	7.7
287.31351	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0534
Annotation	Luteolin
Peak:m/z	Relative Intensity
57.85519	0.1
67.01869	1.9
67.05493	0.3
67.71671	0.1
68.99792	1.7
69.03450	0.1
69.07087	0.1
69.49478	0.1
70.51487	0.2
70.75723	0.1
79.01821	0.1
79.05491	0.3
80.05846	0.1
81.03419	0.2
81.07062	0.3
89.03928	0.9
91.05466	0.1
93.07024	0.3
95.08614	0.3
97.02877	0.1
98.09657	0.2
98.91168	0.1
100.16264	0.1
100.25681	0.1
104.15357	0.1
105.07033	0.2
105.33391	0.1
107.04954	0.4
109.02931	0.1
111.00810	0.2
111.04436	0.3
117.03378	0.9
117.06988	0.1
119.08558	0.2
121.10132	0.1
125.02410	0.2
127.03944	0.1
129.01810	0.4
129.07007	0.2
135.04420	4.9
137.02359	1.4
137.05966	0.3
139.05406	0.2
147.04417	0.2
151.07558	0.1
153.01830	12.2
154.02130	0.2
157.06499	0.2
161.02330	1.8
167.08611	0.2
171.02916	1.3
171.04352	0.2
179.03366	0.8
185.05977	0.4
195.08098	0.2
196.39886	0.1
199.03943	0.2
201.05493	0.2
203.03387	0.2
203.07367	0.1
206.90352	0.1
213.05508	0.5
219.06503	0.3
222.01088	0.1
227.10699	0.2
231.06569	0.2
241.04977	1.7
245.04434	0.2
245.08504	0.1
255.10301	0.2
259.05997	0.2
261.97058	0.1
269.04431	0.9
286.27429	0.5
287.05490	100.0
288.05826	4.4
288.09048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63903	0.1
55.01873	0.1
55.05512	0.2
67.01866	1.9
67.05515	0.5
68.99788	1.7
69.03427	0.2
69.07056	0.3
69.63698	0.2
69.64099	0.3
71.04980	0.2
79.05490	0.7
81.03435	0.2
81.07069	0.6
83.08600	0.1
85.06531	0.1
89.03922	0.7
91.05466	0.4
92.63098	0.1
93.07029	0.4
95.04986	0.2
95.08600	0.7
96.46922	0.1
97.02875	0.2
97.06522	0.1
98.22739	0.1
105.07015	0.4
107.04965	0.3
107.08573	0.4
109.06522	0.2
109.10191	0.2
111.00791	0.3
111.04452	0.2
111.08080	0.1
114.14143	0.1
115.05482	0.2
117.03378	0.8
117.07030	0.2
119.08576	0.2
121.10138	0.3
123.04475	0.1
125.02373	0.1
127.03916	0.1
128.06218	0.1
129.01823	0.4
129.07018	0.2
131.08553	0.2
133.10139	0.2
135.03360	0.2
135.04410	4.4
135.08043	0.2
135.11702	0.1
136.07565	0.6
137.02351	1.3
137.05997	0.1
137.09631	0.1
141.07007	0.1
143.08582	0.2
145.06483	0.1
145.10110	0.3
147.04430	0.2
147.11699	0.2
153.01826	12.2
154.02174	0.3
157.06491	0.2
157.10118	0.2
159.11697	0.2
161.02332	1.4
163.07590	0.1
164.07063	0.3
167.08556	0.2
171.02928	1.0
171.04343	0.2
171.11876	0.1
173.13275	0.2
175.14926	0.1
179.03362	0.6
185.05959	0.4
185.13091	0.1
195.04305	0.1
195.08058	0.2
197.05960	0.1
199.03926	0.2
201.05537	0.2
203.03378	0.2
213.05371	0.5
219.06383	0.2
227.10564	0.2
231.06537	0.2
241.05002	1.4
245.04343	0.2
255.10275	0.1
259.06207	0.2
263.05518	0.2
268.25430	0.5
269.04395	0.9
269.12808	0.1
269.22568	0.1
286.26428	0.1
287.05481	100.0
287.23230	0.5
288.05814	4.5
288.08450	0.1
303.52158	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85519	0.1
67.01869	1.9
67.05493	0.3
67.71671	0.1
68.99792	1.7
69.03450	0.1
69.07087	0.1
69.49478	0.1
70.51487	0.2
70.75723	0.1
79.01821	0.1
79.05491	0.3
80.05846	0.1
81.03419	0.2
81.07062	0.3
89.03928	0.9
91.05466	0.1
93.07024	0.3
95.08614	0.3
97.02877	0.1
98.09657	0.2
98.91168	0.1
100.16264	0.1
100.25681	0.1
104.15357	0.1
105.07033	0.2
105.33391	0.1
107.04954	0.4
109.02931	0.1
111.00810	0.2
111.04436	0.3
117.03378	0.9
117.06988	0.1
119.08558	0.2
121.10132	0.1
125.02410	0.2
127.03944	0.1
129.01810	0.4
129.07007	0.2
135.04420	4.9
137.02359	1.4
137.05966	0.3
139.05406	0.2
147.04417	0.2
151.07558	0.1
153.01830	12.2
154.02130	0.2
157.06499	0.2
161.02330	1.8
167.08611	0.2
171.02916	1.3
171.04352	0.2
179.03366	0.8
185.05977	0.4
195.08098	0.2
196.39886	0.1
199.03943	0.2
201.05493	0.2
203.03387	0.2
203.07367	0.1
206.90352	0.1
213.05508	0.5
219.06503	0.3
222.01088	0.1
227.10699	0.2
231.06569	0.2
241.04977	1.7
245.04434	0.2
245.08504	0.1
255.10301	0.2
259.05997	0.2
261.97058	0.1
269.04431	0.9
286.27429	0.5
287.05490	100.0
288.05826	4.4
288.09048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.57828	0.1
53.03940	0.1
58.16053	0.1
59.74018	0.1
63.02367	0.1
67.01865	1.8
68.99436	0.1
68.99789	1.4
69.03426	0.1
70.17123	0.2
75.73305	0.1
79.05498	0.3
81.03423	0.1
82.09884	0.1
88.78635	0.1
89.03915	0.8
95.04948	0.1
96.27132	0.1
97.02892	0.1
102.88925	0.1
107.04958	0.3
109.02886	0.1
111.00804	0.2
111.04443	0.2
115.05460	0.1
117.03384	1.0
125.02312	0.2
127.03918	0.1
128.06270	0.1
129.01820	0.3
129.06995	0.1
135.00761	0.1
135.04411	4.5
136.04716	0.1
137.02350	1.3
137.03410	0.1
139.05411	0.2
147.04404	0.1
149.02388	0.1
151.03882	0.1
153.01823	11.6
154.02165	0.2
155.06006	0.1
157.06477	0.2
161.02333	1.4
167.08626	0.1
171.02882	0.8
171.04411	0.2
179.03381	0.5
183.04536	0.1
185.05946	0.3
195.04420	0.1
203.03400	0.3
212.04646	0.1
213.05424	0.5
219.06520	0.2
223.04005	0.1
227.03557	0.1
231.06485	0.2
241.04941	1.5
245.04428	0.3
258.05356	0.1
259.06055	0.1
263.05530	0.2
269.04431	0.9
286.04620	0.1
287.05478	100.0
287.75601	0.1
288.05817	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	287.0541
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.44891	0.1
53.03951	0.2
53.06081	0.1
55.05500	0.4
57.07066	0.1
57.67771	0.1
67.01870	2.0
67.05505	0.5
68.99796	1.9
69.03419	0.2
69.07069	0.4
69.79697	0.5
71.04982	0.1
74.43375	0.1
75.22232	0.1
79.05498	0.7
81.03416	0.3
81.07064	0.9
83.08595	0.2
89.03912	0.9
91.05481	0.4
93.07056	0.8
95.04977	0.5
95.08620	0.7
97.02884	0.2
97.06498	0.2
99.04462	0.1
105.07020	0.8
107.04961	0.3
107.08600	0.7
109.06518	0.2
109.10152	0.6
111.00826	0.3
111.04434	0.2
114.43080	0.1
115.05449	0.2
117.03378	1.0
117.07031	0.2
119.08591	0.9
121.10143	0.5
123.11665	0.2
125.02345	0.2
127.03941	0.2
129.01836	0.5
129.06993	0.2
131.08588	0.4
133.10129	0.3
135.04413	4.7
135.11731	0.2
137.02335	1.8
139.05409	0.3
145.10123	0.6
147.11700	0.4
153.01828	13.8
154.02150	0.3
157.06523	0.3
157.10146	0.3
159.11717	0.4
161.02339	1.8
163.14725	0.1
171.02895	1.2
171.04272	0.2
171.11787	0.1
173.13257	0.3
179.03407	0.5
183.55630	0.2
185.06001	0.4
187.11159	0.2
191.10713	0.2
199.03851	0.2
199.14854	0.2
201.16396	0.4
203.03365	0.2
209.76021	0.1
213.05399	0.6
213.16287	0.1
219.06549	0.4
241.04924	1.5
245.04454	0.3
263.05399	0.2
269.04340	0.9
269.22763	0.3
286.27539	0.3
287.05487	100.0
287.23660	1.0
288.05811	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	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.01852	0.1
55.00894	0.1
67.01866	1.6
68.99437	0.1
68.99795	1.6
69.15767	0.5
79.05495	0.3
81.03418	0.2
83.01354	0.1
85.02931	0.1
89.03912	0.9
90.14358	0.1
90.20381	0.1
97.02873	0.2
107.01238	0.1
107.04959	0.4
109.02911	0.1
111.00798	0.2
111.04459	0.2
115.05492	0.1
117.03369	0.9
120.50072	0.1
122.36949	0.1
125.02420	0.1
127.03963	0.1
128.06184	0.1
129.01836	0.3
129.07036	0.1
130.36218	0.1
135.04420	4.7
137.02339	1.4
138.02658	0.1
139.05408	0.2
145.03983	0.1
151.03873	0.1
153.01831	12.1
154.02148	0.3
157.06480	0.3
161.02342	1.5
171.02887	0.9
171.04413	0.2
172.03291	0.1
179.03415	0.6
182.70020	0.1
185.05980	0.4
195.04346	0.1
199.03934	0.1
203.03412	0.2
207.14212	0.1
213.05515	0.5
218.05797	0.1
223.03992	0.1
227.03607	0.1
231.06502	0.2
240.04375	0.1
241.04955	1.5
244.03682	0.1
245.04366	0.2
259.06055	0.2
263.05515	0.1
269.04453	0.9
270.05038	0.1
286.04691	0.1
287.05493	100.0
288.05817	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.4
60.04522	1.6
60.05643	0.8
69.96730	1.7
69.97102	1.2
70.06587	5.0
72.08157	4.5
84.08141	1.9
86.09705	2.2
94.55603	0.6
97.99184	2.9
98.97587	1.6
110.07183	1.9
110.97568	0.6
114.09148	0.8
116.00230	1.6
116.07092	1.0
116.98650	0.9
119.01933	1.3
129.10249	0.8
130.93335	0.9
143.01913	2.3
161.03003	3.2
164.12723	0.6
172.94330	1.6
175.11923	1.8
190.95419	2.2
203.04019	0.8
208.96375	0.9
221.01735	0.6
232.96535	2.2
245.07957	1.3
250.97514	1.3
263.02817	1.2
263.09122	4.3
264.03143	2.1
287.05606	2.9
287.11017	100.0
288.11380	4.0
288.20218	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	287.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54005	3.5
57.07080	24.3
60.05637	4.0
63.40888	4.5
67.05498	5.4
69.03421	12.0
69.07066	8.4
69.67141	22.3
70.06598	65.8
71.04987	10.7
72.08153	6.6
73.06569	3.5
77.46186	4.2
79.05488	9.0
81.07054	13.4
83.04986	6.2
85.06525	19.1
91.05476	9.5
93.07023	10.2
95.04988	29.0
97.06531	8.9
99.04487	5.2
99.42284	4.3
105.07016	17.1
107.04948	14.3
107.08575	5.3
109.06509	6.6
112.08711	14.5
115.08720	6.2
116.07087	14.1
117.07015	6.3
119.08650	4.8
121.06490	5.7
121.10178	10.6
125.05979	11.0
131.08553	4.4
135.04361	5.8
135.08037	6.7
135.11658	4.2
137.05995	16.9
143.07047	7.7
145.06531	5.9
145.10158	20.3
149.05923	5.4
151.07585	5.4
152.06232	5.9
153.01808	13.3
158.09308	6.0
161.02382	4.8
163.07547	18.5
163.11302	8.8
167.07040	13.0
167.08551	12.9
173.09650	8.2
175.11963	5.6
181.06319	3.8
187.11215	10.1
191.10556	9.0
195.08067	16.3
205.12270	11.4
208.38248	4.4
209.11734	11.1
215.10667	6.2
223.07541	7.3
227.10655	18.8
233.11700	8.7
251.12808	4.8
255.10176	13.6
287.05521	100.0
287.13028	6.8
287.13867	7.9
287.17130	62.2
288.05719	10.5
305.50494	3.7
305.54498	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	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.2
56.46599	1.9
67.01844	2.6
67.05491	6.3
68.68550	1.7
68.99792	2.4
69.03432	10.8
69.07073	13.3
69.93549	6.2
70.06593	13.5
71.01339	2.1
71.04991	12.8
72.08158	23.1
77.48186	2.0
79.05495	10.5
81.03405	2.1
81.07053	20.7
83.04971	12.7
84.08131	2.0
85.02898	4.4
85.06549	9.5
86.06063	5.6
86.09701	18.8
87.04466	2.0
91.05473	9.8
93.07046	19.3
95.04978	26.8
95.08601	4.1
97.06541	14.2
98.06023	2.1
98.07597	1.8
99.04446	8.9
103.05476	3.1
105.03421	2.2
105.07015	12.2
107.04964	4.4
107.08579	10.2
109.06527	8.8
111.07999	1.8
111.11805	2.1
112.08720	2.3
113.06001	2.6
115.05442	2.9
116.07076	2.8
117.06995	4.1
119.08563	5.2
121.06521	6.7
121.10186	11.5
123.08079	3.1
125.06020	14.2
127.07553	4.3
128.08208	4.6
129.07001	2.4
129.10248	11.9
131.04901	2.8
131.08595	9.5
132.10185	3.2
133.10150	3.0
135.04411	6.7
135.08034	5.2
135.11699	3.5
137.02382	2.3
137.06021	11.1
137.06892	2.2
139.07539	1.8
139.11150	5.5
143.07059	12.2
143.08553	2.7
143.11778	5.0
145.06494	4.4
145.10123	22.7
149.06007	5.9
151.07539	6.4
152.06189	4.4
153.01819	13.3
153.06972	2.8
153.13885	2.8
155.07086	2.8
157.09839	4.6
159.11719	5.6
161.05913	2.0
161.09691	1.9
163.07558	5.9
163.11194	8.7
165.07022	3.6
166.07768	3.4
167.08539	9.4
169.06572	2.2
169.10133	3.0
171.08022	2.2
173.09625	7.8
174.08777	9.8
181.06407	3.6
181.12245	7.1
181.13594	2.4
187.11182	13.8
191.10733	11.2
195.08031	12.3
197.05981	3.7
205.12254	13.6
209.11688	9.0
213.05565	2.2
215.10695	7.7
223.07591	3.5
227.10661	14.8
227.14020	4.4
233.11716	10.1
236.95700	1.9
240.07994	2.4
241.05081	2.7
241.08374	2.4
251.12886	9.8
255.10162	12.1
269.13187	3.8
287.05515	100.0
287.09827	7.2
287.13089	12.5
287.16861	17.9
288.05942	7.2
288.20190	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	287.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01871	1.4
55.05508	2.8
61.86578	0.6
66.03271	0.6
66.06517	0.5
67.01856	1.6
67.05499	4.3
68.99783	1.7
69.01591	2.6
69.02008	3.2
69.03431	1.9
69.07059	5.5
71.04988	4.9
79.05481	5.1
80.03055	0.6
81.07053	11.3
83.04983	4.0
83.08586	0.6
85.06538	3.3
89.03949	0.9
91.05486	3.5
93.07041	8.9
95.04971	10.2
95.08601	5.3
97.06532	5.6
99.04440	2.8
105.07040	6.9
107.04932	2.4
107.08583	5.3
109.06500	4.3
109.10135	2.3
111.08057	1.2
111.11715	1.1
113.06012	1.2
117.03397	0.6
117.07008	2.3
119.08558	2.7
121.06514	1.1
121.10129	7.3
125.05986	7.2
127.07547	2.4
129.05449	0.7
129.52109	0.5
130.07784	0.9
131.08574	5.1
133.06456	1.0
133.10124	1.6
135.04410	4.1
135.08031	1.0
135.11668	3.1
137.02306	1.5
137.05981	2.1
139.07518	1.2
139.11172	1.6
143.07037	5.9
143.08539	0.8
145.10123	11.9
147.08017	0.7
147.11699	1.0
151.07532	1.8
153.01823	13.4
155.07050	1.3
157.10114	0.6
158.07372	0.6
159.11690	3.7
161.02390	1.4
163.11151	4.3
166.29425	0.6
173.09599	4.4
177.12723	0.8
179.03467	0.7
181.12199	3.1
187.11147	7.0
191.10686	6.7
199.13333	0.6
205.12234	7.8
209.11705	5.8
215.10667	5.2
223.13327	0.8
233.11737	5.3
241.04971	2.2
251.12772	4.2
269.04443	1.2
269.13705	1.5
269.26877	0.7
287.05481	100.0
287.23740	1.0
287.27780	2.1
288.05762	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	287.149
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
55.01866	4.5
57.07069	27.7
69.03422	18.5
69.07062	17.4
70.06590	82.1
71.04987	12.1
71.11909	8.5
72.08163	10.6
79.05494	12.1
81.07054	13.0
83.04966	14.9
84.81030	4.8
85.06546	28.8
90.07376	4.2
91.05498	10.3
93.07060	24.0
95.04965	25.0
97.06530	15.3
99.04449	11.6
100.93785	4.8
105.07027	15.1
107.04935	13.4
107.08589	12.3
109.06516	11.9
112.08707	23.3
115.08654	5.6
116.07080	16.2
119.08578	5.8
121.06522	12.2
121.10121	12.9
125.05997	13.8
127.07539	4.8
131.08595	8.0
135.07948	4.4
135.11674	4.2
137.05972	21.7
139.11165	6.0
143.07031	17.2
145.06569	5.1
145.10100	29.1
149.05980	6.4
151.07489	10.0
152.06163	5.6
153.01881	10.7
158.09335	6.2
159.11722	6.8
163.07552	23.8
163.11115	12.2
167.07068	13.5
167.08582	16.7
173.09616	9.6
175.11954	5.1
175.17769	5.1
181.06357	5.3
181.12219	8.1
184.13011	4.5
187.11205	13.9
191.10666	15.4
195.08055	16.4
195.10086	4.8
197.09416	6.3
205.12242	10.2
209.11734	12.6
212.08250	5.4
215.10681	10.1
223.07520	12.6
227.10600	15.8
228.12383	6.3
233.11719	12.0
251.12706	8.6
255.10199	22.8
287.05524	100.0
287.13733	8.7
287.17078	77.5
288.05710	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	287.149
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
52.34365	0.8
53.03940	1.3
55.01868	1.2
55.05267	0.7
55.05503	4.8
55.19232	0.8
57.07079	1.4
58.66889	0.7
60.09231	0.9
65.67575	0.8
67.01855	1.1
67.05502	7.0
68.99772	1.1
69.03424	1.9
69.07079	7.1
69.09853	7.2
69.10258	1.9
71.01327	1.2
71.04995	5.6
79.05496	6.0
79.45311	0.8
81.03446	0.8
81.07062	15.6
83.04984	4.7
83.08634	1.7
85.06546	3.6
89.03923	1.2
91.05469	6.9
93.07046	13.6
94.42763	0.8
95.04971	13.3
95.08611	6.6
97.06544	6.4
99.04459	2.5
105.07029	12.8
107.04960	2.3
107.08595	12.3
109.06535	5.0
109.10160	5.6
110.54534	0.9
111.04427	1.1
111.08057	1.7
111.11715	1.0
113.05980	1.2
117.03378	1.3
117.07043	3.2
119.08574	11.2
121.06506	2.5
121.10153	12.0
123.11739	2.0
125.05993	7.7
125.09653	1.0
127.07562	2.8
129.06975	1.1
131.08556	6.6
133.10149	6.0
135.04422	4.6
135.08038	1.4
135.11664	4.5
137.02335	1.9
137.05925	2.4
137.09612	1.1
139.07509	1.0
139.11163	1.9
143.07011	6.8
143.08568	2.7
144.09352	1.2
145.10129	15.8
146.10413	1.0
147.11664	5.6
149.09697	1.2
149.13203	2.3
151.07564	1.8
153.01828	12.1
153.05460	0.9
153.12750	1.2
157.10146	2.0
159.07973	1.2
159.11703	8.5
161.02327	2.4
161.13266	2.2
163.07640	0.9
163.11183	5.4
163.14841	1.0
169.10115	1.3
171.02908	1.1
171.11684	1.9
173.09637	5.0
173.13217	2.3
174.10077	0.9
177.12819	1.5
181.12212	2.7
185.13312	1.5
187.11200	7.1
189.12721	1.7
189.16429	1.4
191.10675	7.1
199.13158	1.1
201.16400	6.4
202.16853	0.9
205.12213	7.7
209.11798	5.8
215.10701	5.7
231.17552	1.0
233.11653	6.4
241.05009	2.0
251.12782	4.0
269.13773	2.1
269.22598	3.1
287.05493	100.0
287.20502	1.4
287.23691	12.0
287.27597	2.3
288.05878	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	288.1917
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05517	9.4
60.05640	3.2
65.03951	0.9
70.06595	15.6
71.30867	1.0
72.08157	100.0
73.08504	1.0
78.36921	0.7
78.53678	0.8
81.03407	0.9
83.04959	0.7
86.09708	62.8
87.10036	0.8
107.05018	0.9
111.04465	1.1
112.08746	1.8
112.20055	0.7
115.08757	0.8
116.07108	1.7
118.08650	4.5
123.04413	1.4
124.86731	0.7
127.03892	4.6
129.10240	28.8
132.10219	12.1
135.04414	4.4
139.03923	1.1
143.11794	34.9
151.03954	1.1
157.09726	13.4
157.10875	1.2
158.09305	2.2
163.03941	1.6
171.11304	9.1
175.11948	5.9
177.05345	0.8
189.12331	11.3
223.89342	0.8
229.15501	1.8
231.17088	0.8
271.17703	1.6
288.06006	1.7
288.20288	11.9
289.11017	0.9
293.85672	0.9
296.70972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2031
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
51.49873	0.5
54.92515	0.6
55.01873	0.8
55.05515	0.9
56.96576	3.3
60.04538	0.8
60.05653	22.0
60.89133	0.6
61.01157	0.5
64.84980	0.5
65.09195	0.6
68.04984	0.7
69.03437	1.3
69.07061	2.1
70.06595	100.0
71.04990	1.6
71.06924	0.8
72.08157	8.4
76.52732	0.5
82.99850	1.0
84.08151	4.7
85.02910	1.2
86.06046	0.7
86.09705	31.8
87.09998	0.7
91.98256	0.6
95.06096	0.6
97.02888	0.9
97.07663	1.6
98.06068	3.4
98.97573	5.9
101.00880	7.6
108.04519	1.4
112.08733	12.3
113.00839	0.8
114.10284	1.0
115.01743	0.6
115.02436	3.5
115.08677	3.6
116.07094	14.1
116.51906	0.6
116.98645	1.7
118.03524	0.8
119.01923	13.6
126.05600	0.8
126.06670	1.7
127.03967	1.4
128.11882	0.7
128.98622	0.6
129.10277	1.6
130.08820	0.8
130.09749	4.3
131.01898	2.7
132.10237	0.8
133.03468	4.2
137.02979	2.6
140.08185	1.3
140.99811	0.8
141.01248	0.8
143.01932	2.7
143.08228	0.7
145.03471	0.9
147.01332	0.9
147.05078	1.1
156.11314	5.0
157.03476	0.8
157.10866	2.0
158.09258	7.1
161.02972	8.7
166.12239	1.2
168.99823	0.7
169.04466	0.7
171.01428	1.4
173.02945	1.8
174.03014	1.0
174.99167	1.0
175.11914	40.0
178.04974	1.3
185.02901	0.6
187.00891	3.4
187.04526	0.9
189.02473	2.4
191.03952	1.7
199.00887	1.4
199.04512	0.9
203.04045	0.6
205.01988	0.9
207.03467	0.6
212.12802	1.1
214.09135	0.7
215.00414	4.2
216.97000	0.8
217.01942	4.2
219.03539	1.3
222.05223	1.9
223.05200	0.7
223.52242	0.7
224.07936	0.7
225.17107	1.7
228.17067	2.5
229.01913	0.9
229.15465	5.3
230.07005	1.0
233.01326	0.8
244.07401	0.8
244.10039	0.8
247.02997	1.9
248.08124	1.0
253.16612	1.7
254.14827	1.2
262.08255	1.8
265.04080	1.1
270.19202	0.9
271.17624	12.2
288.10635	1.8
288.20291	95.3
289.04196	1.0
289.07623	1.3
289.20612	3.1
307.05084	0.8
307.08844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34586	2.0
56.96569	21.4
59.59982	1.9
69.65443	4.8
69.65863	8.4
70.06600	11.9
70.99883	3.7
71.06924	2.9
71.95271	3.7
72.08147	6.0
82.99849	7.4
84.08147	6.4
84.96047	4.1
85.02903	3.4
86.09711	9.6
86.61831	2.1
87.10046	2.7
97.01379	5.5
97.02868	2.6
98.22701	2.3
98.97590	41.0
101.00887	57.7
110.97615	2.7
113.00871	7.8
115.02414	19.3
116.98644	20.4
119.01921	100.0
120.02061	3.1
126.98837	2.6
127.03891	6.0
128.98604	4.0
129.03998	5.1
129.10292	3.1
130.93254	6.2
131.01917	16.2
133.03484	31.5
134.99675	4.3
137.02951	14.1
143.01886	16.7
144.99852	5.6
145.03456	8.6
146.99631	3.5
147.01393	5.8
147.05067	4.2
149.02992	2.4
151.04523	5.5
157.03448	8.0
159.01361	2.6
161.02969	51.1
168.99820	7.6
171.01442	9.2
172.94373	16.2
172.97578	2.3
173.02974	9.5
174.99196	3.5
175.00890	4.9
179.04097	4.4
185.02875	5.4
187.00906	24.0
187.04526	5.0
188.00922	2.1
189.02460	14.5
189.04059	2.9
190.95419	10.7
191.03969	10.3
193.00262	2.7
196.99332	5.4
199.00905	12.0
199.04626	2.9
201.02550	3.3
203.04158	3.6
205.01941	10.8
207.03590	4.9
208.96475	3.9
210.02502	2.4
215.00365	29.2
216.96980	6.7
217.01970	25.8
219.03557	9.4
222.38150	2.2
224.07999	4.5
229.01996	5.4
230.07024	7.0
233.01462	4.3
234.97939	4.0
246.98068	6.0
247.03032	23.6
248.08121	20.3
260.96152	3.3
264.99063	7.3
265.04028	7.3
266.08972	2.3
277.04068	3.2
277.60934	3.7
286.61331	3.5
289.03885	5.8
289.07007	21.8
289.20618	4.4
306.96521	3.2
307.00122	3.2
307.05087	10.6
307.08499	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	289.0707
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.02385	0.2
51.27102	0.3
53.03942	0.3
55.01862	0.5
55.05500	0.2
67.01865	6.4
67.05508	0.3
67.54275	0.2
68.99432	0.4
68.99786	4.2
69.03426	1.9
69.07070	0.4
70.90893	0.3
70.91241	0.3
73.75388	0.2
79.01854	0.3
79.05476	1.4
81.03413	0.5
81.07058	0.8
83.01330	0.8
83.04983	0.3
85.02906	0.3
89.03911	4.9
91.05489	0.9
91.06936	0.2
93.03407	0.9
93.07040	0.5
95.04977	0.5
95.08592	0.6
97.02886	1.8
97.06541	0.3
100.63692	0.2
105.07039	0.6
107.04956	1.8
107.08593	0.2
109.06438	0.2
111.00806	3.1
111.04418	1.6
115.05464	0.2
115.07553	0.2
117.03380	7.0
117.07025	0.3
118.03802	0.2
119.08559	0.5
121.06534	0.2
123.04427	3.8
123.05299	0.4
123.08076	0.3
125.02348	0.8
127.03908	0.6
129.01825	0.5
129.06978	0.4
130.34711	0.2
131.08582	0.4
133.10077	0.2
135.04411	12.1
135.08043	0.3
137.02347	0.6
137.05975	0.9
139.03876	1.4
145.02843	8.3
145.10126	0.4
147.08083	0.2
151.03882	0.6
153.01822	100.0
154.02162	2.1
156.81448	0.2
157.06473	0.2
159.04425	1.2
160.17273	0.2
161.05984	0.7
163.03900	49.0
164.04216	1.5
167.03423	0.4
169.10097	0.4
171.02881	11.0
172.03212	0.4
173.13246	0.3
179.03395	5.1
179.07074	0.2
185.06027	0.3
187.03889	1.3
197.05988	0.3
201.05453	0.3
205.04918	1.0
223.05986	0.3
229.05214	0.3
247.05988	0.7
253.04918	0.6
271.05936	2.1
271.17041	0.3
289.07050	59.0
289.17654	1.0
290.07370	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	289.0707
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.53154	0.2
53.03932	0.3
53.58514	0.2
55.01871	0.7
58.57356	0.2
60.11642	0.2
63.02371	0.3
65.03928	0.5
67.01869	6.3
67.05488	0.7
68.99439	0.3
68.99789	3.9
69.03426	2.3
71.04972	0.3
71.30732	0.3
79.05484	1.4
81.03402	0.9
81.07056	1.1
83.01337	0.5
83.04958	0.4
84.08116	0.3
85.02899	1.1
89.03917	4.5
91.05471	1.1
93.03392	0.8
93.07024	0.9
95.04976	1.2
95.08602	0.7
97.02907	1.7
97.06543	0.3
99.04457	0.3
105.07040	1.1
107.04958	1.9
107.08573	0.9
109.06513	0.3
109.10111	0.3
111.00809	2.9
111.04446	1.8
113.06046	0.2
115.05435	0.2
117.03379	7.0
117.07008	0.3
119.08563	1.0
121.06546	0.3
121.10168	0.6
121.94016	0.3
123.04425	4.1
123.08038	0.6
125.02325	0.7
127.03925	0.6
128.06209	0.2
129.01826	0.6
129.07005	0.4
131.04907	0.4
131.08539	0.5
133.10104	0.5
135.04416	11.6
135.11690	0.5
136.04721	0.3
137.02335	0.5
137.05957	1.1
139.03920	1.2
141.06976	0.4
143.08559	0.3
145.02856	8.9
145.06488	0.4
145.10123	0.5
146.03181	0.4
147.08076	0.5
147.11766	0.3
148.07553	0.5
149.06009	0.4
149.08345	0.8
149.09528	0.4
151.03894	0.9
151.07529	0.4
153.01826	100.0
154.02139	2.5
155.08510	0.3
157.10107	0.4
159.04417	1.2
159.08032	0.3
159.11664	0.3
161.05925	0.6
161.09613	0.4
163.03902	48.3
164.04248	1.7
167.03313	0.2
169.01270	0.2
169.06490	0.3
169.10106	0.2
171.02885	11.5
172.03174	0.4
173.13234	0.3
177.05440	0.2
179.03395	5.6
179.07001	0.2
183.11674	0.5
185.13243	0.3
187.02321	0.3
187.03894	1.9
187.14871	0.3
192.79524	0.2
196.07404	0.2
199.14792	0.2
201.05571	0.3
201.12738	0.2
201.16351	0.2
205.04994	0.9
225.16614	0.2
226.12274	1.8
228.13895	0.4
229.05003	0.5
243.14987	0.5
244.92201	0.2
245.16522	0.2
247.05991	0.9
253.05042	0.6
271.06058	2.1
271.14301	0.4
271.17047	0.6
272.12830	0.6
289.07056	56.7
289.15472	1.2
289.18097	1.9
290.07404	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	289.0708
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
50.32194	0.4
53.03933	0.6
53.91630	0.4
55.01860	1.1
55.05508	3.2
57.07063	1.4
63.02382	0.5
65.03945	0.7
67.01868	3.7
67.05500	5.6
68.99788	3.8
69.03447	2.4
69.07070	5.6
69.71124	1.1
69.71512	0.9
71.04984	0.4
75.01302	0.4
75.19222	0.3
75.91032	0.4
77.03900	0.4
79.05499	4.3
81.03424	1.1
81.07058	12.1
83.01294	0.4
83.04990	0.7
83.08618	1.0
89.03913	6.2
90.04240	0.4
91.05476	3.4
91.73901	0.4
93.03394	0.8
93.07052	5.4
95.04965	2.8
95.08610	10.5
96.08980	0.4
97.02890	1.5
97.06507	1.3
97.10175	1.0
105.07037	4.6
107.04956	2.0
107.08595	6.7
109.06514	1.1
109.10155	6.5
111.00814	2.9
111.04431	1.7
111.08096	0.7
111.11671	0.7
117.03381	9.6
117.04207	0.6
117.06995	0.9
117.19183	0.4
118.96027	0.4
119.08583	3.3
121.06493	0.9
121.10146	5.0
123.04418	3.9
123.08078	0.5
123.11719	3.7
124.07658	0.5
125.02395	0.6
125.09629	0.5
128.57559	0.4
131.04971	0.5
131.08559	1.3
133.10126	2.8
135.04411	15.2
135.11696	3.3
136.04813	0.5
136.07568	0.5
136.55743	0.4
137.06015	0.7
137.09677	0.6
137.13251	1.3
139.03912	1.4
145.02840	10.8
145.10138	1.5
147.07990	0.5
147.11708	2.3
149.06013	0.5
149.13252	3.0
151.03880	1.0
151.11176	0.7
153.01826	100.0
153.12746	0.6
154.02127	2.6
159.04439	1.6
159.11681	1.6
161.05959	0.8
161.13237	2.1
163.03906	58.5
163.14844	2.1
164.04228	1.5
164.07091	2.9
165.12756	0.8
171.02859	4.8
173.13237	1.3
175.14865	1.3
177.05434	0.6
177.16345	1.2
179.03397	5.0
179.14310	0.9
187.03961	2.0
187.14825	0.7
189.16397	0.5
191.18187	0.4
201.16438	0.9
205.04979	0.9
215.17963	1.2
217.12263	0.7
229.19647	0.5
247.06056	0.8
271.05988	1.9
271.14273	0.7
271.24103	3.2
289.07059	69.4
289.15509	2.4
289.18106	1.1
289.22015	0.5
289.25208	10.2
290.07379	3.2
290.25510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02388	0.5
51.61866	0.4
53.03938	1.7
55.01867	1.3
55.05530	1.0
56.05031	0.5
56.96568	1.3
59.20272	0.4
60.04501	0.5
60.05639	1.7
65.03950	3.2
67.01884	0.6
67.05498	1.5
68.99780	3.4
69.03426	2.1
69.70441	0.5
69.70757	2.2
70.06212	0.5
70.06599	10.0
71.01351	0.5
71.05002	1.3
71.06927	1.6
72.08158	6.2
73.08486	1.9
74.06083	0.8
79.05486	1.4
81.03426	4.5
83.04980	0.9
84.04533	0.5
84.08149	3.7
85.02899	2.0
86.09724	3.8
87.10027	0.7
89.03905	2.7
93.03408	4.2
95.04964	2.2
97.02866	2.2
98.23357	0.5
98.97578	1.4
99.04470	2.7
103.05467	1.4
105.03365	0.6
107.04955	4.5
109.02891	5.2
111.00839	1.1
111.04449	12.7
112.08780	0.7
113.19762	0.4
113.42884	0.4
115.05488	0.5
115.08714	0.9
116.07075	0.8
116.98624	1.4
117.03378	2.3
119.01971	0.6
121.02875	1.5
123.04433	27.2
124.04751	0.5
127.03919	100.0
128.04265	1.5
129.06989	0.9
129.10263	2.6
130.08707	0.5
130.09702	0.5
131.04927	3.3
135.04417	73.8
136.04817	1.8
137.02330	1.7
139.03903	19.7
141.07001	1.1
143.04912	0.6
145.04945	0.5
147.04414	0.9
147.11229	0.8
149.02341	7.2
149.05920	2.8
150.03065	0.7
151.03894	9.2
155.04973	0.5
157.06490	1.2
158.09286	0.5
159.04416	4.4
159.07919	0.4
161.05988	2.4
163.03911	31.1
164.04224	0.9
167.03410	1.4
169.06480	1.9
171.14888	0.6
172.15276	0.8
172.94408	0.6
173.05974	2.4
175.07567	0.6
175.11888	1.6
176.12250	0.9
177.05489	2.6
179.03400	0.8
185.06001	1.3
187.03839	5.2
187.14432	0.9
189.98819	0.5
190.95363	1.3
192.98833	0.6
197.05992	3.7
201.05449	2.7
203.07045	1.9
205.04993	2.2
208.96376	0.9
213.05562	2.3
215.07011	2.8
216.96825	0.8
216.98752	0.8
217.04968	0.7
221.05020	0.5
223.05948	1.0
225.05429	1.0
229.04976	2.1
231.06494	5.6
234.99730	1.2
241.04950	1.6
243.06520	4.9
247.06007	0.8
253.04996	0.9
258.05246	0.6
259.06024	7.7
261.07596	4.1
264.99200	0.7
265.93951	0.7
271.03247	0.9
271.06021	14.1
271.14474	0.6
272.06549	0.6
272.13483	0.7
275.04056	0.4
288.20279	1.0
289.07251	14.1
289.12573	54.9
289.15775	1.8
289.20609	4.8
290.07410	0.9
290.13000	1.8
306.96649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03949	1.4
55.01865	1.6
65.03944	7.3
67.01846	0.8
67.05509	4.6
68.99796	4.8
69.03437	0.7
70.06580	1.0
70.45102	2.2
79.05491	1.8
81.03419	1.7
83.04986	1.9
86.09706	1.0
89.03925	4.6
93.03412	13.0
95.04967	3.9
103.05461	1.2
107.04935	4.8
109.02930	0.9
111.00809	1.2
111.04449	23.8
112.04748	0.7
117.03367	3.8
121.02872	2.3
123.04438	48.1
124.04751	1.2
127.03921	10.5
127.11031	0.7
129.07001	1.3
131.04919	4.7
135.04422	100.0
136.04799	2.8
136.30702	0.7
137.02357	4.8
139.03906	73.1
140.04234	1.8
141.06924	0.8
145.03984	0.7
147.04353	0.7
149.02342	16.2
149.06004	2.6
150.03072	1.6
151.03914	24.8
157.06413	1.7
159.04428	2.1
161.05975	0.9
163.03908	10.3
167.03419	1.3
169.06541	1.4
173.06012	1.6
175.07593	0.7
177.05476	2.4
179.03424	2.9
179.61760	0.7
185.06023	2.3
187.03920	1.7
197.05981	2.4
201.05508	1.2
203.07117	0.7
213.05457	4.9
215.07158	0.9
225.05475	1.3
231.06519	10.6
241.04892	3.1
243.06517	1.6
259.06036	15.0
261.07608	10.9
271.06021	6.1
273.03906	0.7
284.19046	0.7
289.07181	6.3
289.12540	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	289.0706
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
51.27088	0.4
53.03935	0.6
55.01870	0.8
55.05489	1.3
55.12422	0.3
57.03420	0.4
57.07060	0.5
65.03929	0.8
66.10028	0.2
67.01860	4.3
67.05516	2.5
67.06625	0.3
68.99786	3.2
69.03434	2.1
69.07060	1.9
71.30855	0.4
71.36881	0.3
74.06077	0.3
74.53243	0.3
79.05486	2.9
81.03403	1.0
81.07059	5.7
83.01324	0.6
83.04955	0.4
83.08602	0.9
85.02902	0.7
86.09697	1.0
89.03406	0.4
89.03919	5.5
91.05462	1.4
93.03403	1.0
93.07042	2.7
95.04948	1.3
95.08600	4.1
97.02925	1.4
97.06532	0.4
99.04439	0.5
105.07042	2.6
107.04955	2.3
107.08594	2.7
109.06534	0.7
109.10160	2.5
111.00805	3.0
111.04444	2.6
111.08044	0.5
117.02597	0.5
117.03381	8.2
117.06969	0.7
119.08594	1.9
121.06525	0.5
121.10136	2.0
123.04420	4.5
123.08044	0.6
123.11680	1.2
125.02372	0.3
125.09586	0.3
127.03912	0.7
128.06230	0.4
129.01802	0.4
131.04884	0.5
131.08556	0.9
133.10162	1.3
135.04416	14.3
135.07986	0.6
135.11671	1.0
136.04785	0.3
136.07578	1.7
137.02344	0.4
137.05983	0.9
137.09595	0.4
137.13243	0.7
138.09111	1.1
139.03922	2.2
143.08537	0.3
145.02853	10.9
145.10103	1.1
146.11768	0.7
147.08089	0.5
147.11678	1.0
149.09616	0.4
149.13248	1.3
151.03955	0.7
151.11162	0.7
153.01826	100.0
154.02171	2.6
155.03476	0.3
159.04433	1.3
159.11690	0.9
161.05849	0.4
161.09610	0.5
161.13217	0.8
163.03903	57.6
163.14775	0.4
164.04242	1.4
164.07045	2.4
165.12738	0.5
171.02887	5.5
173.13248	0.9
175.14828	0.6
177.05582	0.4
179.03392	6.1
185.13264	0.5
187.03867	1.9
187.14784	0.6
189.16422	0.7
201.05476	0.3
201.16417	0.4
205.04955	0.9
215.17877	0.5
247.06032	1.0
253.04968	0.3
271.05997	1.8
271.16931	0.6
271.24191	1.3
289.07053	63.6
289.17862	1.8
289.25134	3.4
290.07425	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	289.0708
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03948	1.6
55.01869	1.9
55.05512	0.7
58.28232	0.6
59.95440	0.5
60.32990	0.5
65.03944	9.7
67.05499	3.7
68.99794	4.5
70.06595	1.6
70.44917	0.7
70.45265	1.7
71.01335	1.1
72.08164	2.0
76.93932	0.7
77.43531	0.6
79.05494	1.0
81.03410	2.4
83.04982	2.1
84.08127	0.6
84.71864	0.6
86.09704	2.3
87.10049	1.1
89.03912	4.3
93.03412	11.8
95.04973	4.6
103.05443	1.6
104.49419	0.6
105.03424	0.6
105.04505	0.6
107.04962	5.4
109.02887	1.6
111.00824	1.9
111.04448	25.1
116.98626	0.7
117.03397	3.9
121.02876	2.6
123.04436	53.8
124.04765	1.6
127.03922	11.0
129.07002	0.8
131.04947	5.8
131.08183	0.8
135.04422	100.0
136.04666	2.7
137.02368	3.5
137.03287	0.8
139.03908	75.2
140.04288	1.4
140.47258	0.6
141.07040	0.9
149.02353	16.6
149.05988	3.0
150.03151	1.7
151.03915	23.6
152.04686	0.6
155.04961	0.7
157.06424	1.3
159.04440	2.6
161.06026	1.3
163.03915	11.0
164.04306	0.6
167.03456	1.2
169.06558	1.7
173.05984	1.8
175.07529	0.6
175.70122	0.7
177.05455	2.3
179.03416	2.5
184.93549	0.6
185.06023	2.0
186.16809	0.8
187.03865	1.4
197.05991	2.4
201.05547	1.0
205.05011	1.1
213.05504	6.3
215.07068	1.9
225.05479	2.4
225.40262	0.8
229.04974	1.0
231.06534	10.9
241.04991	2.4
243.06433	3.2
253.05029	0.9
258.05002	0.7
259.06018	15.4
261.07602	9.8
271.06027	7.0
271.08636	0.9
289.07333	5.0
289.12598	13.7
289.20648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.00297	1.1
53.03949	11.6
53.05838	0.8
55.01878	4.4
55.05518	1.4
56.96564	2.2
57.03440	5.4
57.38117	0.9
58.06604	1.1
58.08685	0.9
60.05646	3.5
61.02916	2.6
65.03939	1.0
67.01875	1.3
69.03428	14.0
70.06593	13.1
70.56623	2.2
71.01360	2.7
71.05004	7.8
71.06937	1.3
72.08163	4.9
73.02927	4.7
79.05506	1.9
81.03423	24.7
81.04539	25.4
83.04977	2.1
84.04524	1.8
84.08149	9.6
85.02906	18.5
86.09717	3.8
88.04005	1.2
91.05461	1.3
93.03391	0.9
95.04983	2.5
97.01422	1.3
97.02905	16.2
98.97573	4.0
99.04456	21.8
99.05523	1.1
101.00874	15.7
102.00955	1.2
103.03986	1.5
107.04967	1.7
109.02882	27.7
110.01345	1.1
110.97578	1.7
111.04446	4.1
112.08753	1.8
115.02469	4.9
115.08713	1.7
116.07066	2.2
117.05474	2.6
119.01925	25.6
123.04440	7.0
127.03925	100.0
127.05033	39.7
128.02339	1.2
128.04265	2.0
128.98625	1.5
129.03967	1.3
129.10229	6.5
130.09709	1.3
131.01915	3.3
133.03479	8.9
135.04393	6.5
137.02957	4.2
139.03908	3.9
142.26254	1.0
143.01884	6.5
144.10233	1.0
145.03416	1.4
145.04980	2.8
146.02286	1.4
147.05101	1.1
147.11288	1.5
150.08745	1.3
151.03903	3.5
155.02867	3.0
157.03470	1.2
158.09259	1.2
158.99641	1.3
161.02957	16.7
162.03207	1.2
163.03917	2.0
165.05499	1.6
168.99844	2.2
169.04974	1.7
170.99635	1.4
171.01370	1.8
173.02902	4.6
174.08742	1.3
175.01076	1.1
175.11909	3.5
176.12256	1.2
181.04958	2.3
187.00885	5.9
189.00925	1.1
189.02356	4.9
189.05629	1.2
191.03926	8.0
193.04945	1.8
197.04536	1.0
199.00797	2.1
199.05966	2.6
200.04405	11.0
200.49948	1.0
201.02414	1.4
203.04027	1.5
205.01944	2.7
205.04985	1.8
207.03513	1.6
215.00380	8.6
217.01996	5.5
219.03484	2.9
223.06027	3.1
229.01965	1.4
233.01582	1.4
247.02954	6.4
253.07118	2.6
258.18408	1.0
265.04141	1.7
271.08221	1.9
272.13495	1.1
288.20291	1.7
289.03906	1.4
289.09470	3.6
289.15738	3.9
289.20578	4.2
307.05103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
56.96562	1.0
60.86479	0.4
61.95767	0.4
63.59146	0.4
65.37347	0.3
67.28768	0.3
69.03433	0.6
71.04982	0.4
71.10797	0.4
72.08139	0.8
81.03428	0.8
84.08183	0.8
85.02910	1.8
86.09705	0.6
97.02904	1.4
98.97597	1.5
99.04469	0.5
107.05029	0.5
111.04427	0.3
116.98643	0.5
127.03919	4.5
130.93335	0.6
131.02060	0.4
135.04417	0.8
139.03877	0.7
143.32098	0.3
172.94342	1.8
190.95444	1.4
199.05920	0.4
216.96967	0.8
220.22119	0.4
246.98103	0.8
265.94141	0.6
289.12582	100.0
290.12952	3.2
306.96387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01871	1.8
55.05504	0.6
56.96566	0.7
60.04525	1.4
60.31018	0.6
65.03956	6.4
67.05522	3.1
68.99808	3.3
69.03429	1.7
69.44527	3.3
70.06596	4.6
71.04993	1.6
71.06933	1.0
72.08168	3.7
73.08488	1.4
74.06083	0.9
79.05501	1.0
81.03429	3.3
83.04991	0.9
84.04493	0.9
84.08157	1.7
85.02888	2.2
86.09713	5.9
87.05614	0.8
87.10059	1.2
89.03922	2.5
91.85043	0.7
93.03413	6.4
95.04973	3.6
97.02892	2.0
99.04451	1.3
103.05451	1.2
105.03433	1.0
107.04983	4.9
109.02872	2.7
111.00845	1.4
111.04456	21.9
115.05476	0.8
115.08659	1.0
116.98622	1.4
117.03402	2.1
121.02885	2.6
123.04444	38.9
124.04771	1.3
127.03937	14.8
130.06548	2.1
131.04953	3.2
131.08189	2.0
132.10225	1.3
135.04428	70.8
136.04773	1.4
137.02345	2.0
139.03912	53.3
140.04288	1.4
141.07013	0.8
147.08054	0.6
149.02362	10.1
149.05963	1.6
150.03076	0.7
151.02696	1.2
151.03909	17.4
157.06471	1.1
159.04419	1.1
159.07672	1.7
161.06026	0.8
163.03925	9.2
165.05525	0.9
167.03433	0.8
170.06026	1.1
171.04379	0.6
173.06035	0.8
175.07605	0.9
175.11917	0.9
176.12267	1.0
177.05489	2.6
179.03415	1.5
185.05997	2.1
186.16888	1.5
187.03947	1.2
187.07506	0.6
189.16612	0.6
197.06020	2.6
201.05527	1.2
213.05482	3.0
215.07143	1.3
217.04971	0.9
225.05505	1.4
229.04881	1.2
231.06560	7.6
232.32559	0.6
241.05032	2.2
243.06581	2.5
246.05269	1.5
253.04887	0.7
259.06030	9.2
260.06305	0.8
261.07590	7.3
265.94040	1.5
271.06082	4.4
289.07126	5.3
289.12598	100.0
289.20712	2.5
290.13052	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	289.1645
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
51.03054	3.8
53.03946	5.4
55.05518	18.1
56.26251	5.1
57.07077	4.4
60.94916	4.5
62.50013	4.3
67.01852	5.5
67.05507	31.1
69.07073	33.9
70.04093	13.2
71.04989	17.7
75.36697	3.9
75.37241	3.7
79.05501	34.8
81.07056	92.0
83.04984	19.0
83.08652	11.6
85.06550	8.4
85.35359	3.9
87.32362	4.5
91.05494	27.0
93.07048	81.2
95.04974	22.9
95.08611	79.6
97.06526	41.4
99.04454	28.0
105.07023	49.5
107.04944	6.4
107.08590	42.3
109.06509	40.3
109.10140	23.2
111.08102	18.0
113.06020	8.1
119.08584	36.4
121.06501	91.6
121.10175	22.8
123.04429	5.5
123.08055	10.4
123.11722	16.9
125.06015	20.2
127.07516	11.4
131.08534	7.6
133.10143	35.9
135.04453	10.1
135.08069	15.4
135.11723	6.8
137.05991	7.4
139.07530	28.6
143.07048	12.2
143.08537	11.4
145.10136	15.5
147.07986	4.9
147.11679	64.8
149.09627	6.3
149.13269	12.6
151.11180	8.4
151.42708	4.3
153.01859	15.0
156.09386	5.6
157.08650	12.6
157.10168	18.3
159.06558	18.3
159.11676	8.9
161.13286	18.1
163.03989	9.3
163.14803	8.1
164.07126	4.3
165.12717	24.6
169.12282	19.5
171.11731	17.9
173.09566	6.4
175.11169	33.5
181.10196	4.6
189.12717	25.6
193.12241	35.7
199.11172	28.6
207.13823	21.6
211.13304	33.9
215.17934	5.1
217.12239	100.0
218.12469	5.0
229.14317	10.3
235.13286	78.3
244.96860	4.5
253.14317	41.0
254.36317	4.6
289.06363	20.3
289.25269	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.00084	0.7
53.03948	1.9
55.01875	1.7
55.05513	31.0
57.03424	1.2
57.07084	3.1
59.05017	1.1
67.05505	18.3
69.03429	3.9
69.07074	14.3
69.08997	3.0
69.09418	2.8
71.04996	2.9
71.08624	1.6
73.06564	1.0
79.05498	24.5
81.07060	23.1
81.69570	0.7
83.04965	2.2
83.08620	5.9
85.06547	2.7
91.05482	27.8
93.07046	28.3
95.04984	4.1
95.08609	16.7
97.06532	2.9
97.10180	5.6
99.08087	1.1
103.05486	2.0
105.07032	47.3
106.07355	0.8
107.04948	2.1
107.08600	28.4
109.06514	10.5
109.10171	6.1
111.08098	1.9
115.05453	1.1
116.92361	0.6
117.07030	9.3
119.08585	37.2
121.06509	27.2
121.10144	10.4
122.07291	0.6
123.08076	5.1
123.11707	2.6
125.09646	1.9
129.07002	1.9
130.07765	1.0
131.08577	15.0
133.06526	0.9
133.10133	18.1
135.08060	15.3
135.11685	5.2
137.13268	1.6
141.06979	1.0
143.08585	2.2
144.09361	0.9
145.08995	1.2
145.10118	14.6
147.08066	3.7
147.11687	13.4
148.12085	1.0
149.09615	3.7
149.13248	4.2
151.11128	1.0
155.08530	2.4
157.10138	3.1
159.08083	1.9
159.11705	12.2
161.09605	2.5
161.13251	11.6
163.11177	14.8
163.14819	1.9
165.09036	0.7
165.12727	5.0
169.10143	2.1
171.11700	2.7
173.09653	1.8
173.13242	6.1
175.11205	1.2
175.14847	7.2
177.12758	21.1
177.16374	1.1
178.13086	1.2
179.14354	1.1
183.11705	2.8
184.80685	0.6
185.13261	1.3
187.11188	1.3
187.14832	4.6
189.12740	1.6
189.16379	2.8
191.14284	5.4
195.11810	0.8
197.13235	4.1
201.12740	2.4
201.16377	1.1
203.14413	0.9
205.15871	2.3
211.14769	1.5
215.14267	2.3
215.18129	0.9
217.16002	0.8
219.13696	1.3
229.15968	1.1
229.19601	0.9
233.15367	2.9
233.22623	1.5
239.17972	1.3
242.84564	0.7
243.21106	5.3
247.17027	2.6
253.19472	2.4
257.18912	2.1
261.22165	29.0
262.22391	0.9
271.20575	8.7
289.05792	1.1
289.21616	100.0
290.21899	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	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
51.24382	1.3
53.03939	2.9
53.57479	1.2
55.05514	15.7
57.03421	2.4
57.07083	6.9
65.03934	2.5
67.01859	2.6
67.05175	2.0
67.05511	28.9
68.99794	3.3
69.03428	3.3
69.07073	35.4
71.04988	3.3
71.08639	2.7
71.26796	1.3
79.05495	17.5
81.03415	4.7
81.07063	67.1
83.04970	4.2
83.08627	14.2
84.04501	4.9
85.02911	1.7
85.06547	3.6
89.03927	5.1
91.05478	14.5
93.03439	1.9
93.07049	36.8
95.04978	14.0
95.08613	63.8
96.08945	2.1
97.02892	2.7
97.06535	6.6
97.10160	8.1
99.04367	1.7
105.07037	23.9
106.18536	1.3
107.04911	3.2
107.08595	38.2
109.02919	2.0
109.06515	5.4
109.10165	44.7
111.00797	4.1
111.04433	2.2
111.08083	3.9
111.11705	7.6
117.03378	7.4
117.07008	4.7
119.08582	19.3
121.06482	2.8
121.10143	27.9
123.04405	5.5
123.08054	2.9
123.11720	23.4
125.09604	2.6
126.05505	1.7
129.06992	1.5
131.08566	8.8
133.10144	16.2
135.04425	15.2
135.08055	2.2
135.11708	16.3
137.09599	3.8
137.13239	7.5
139.03853	1.9
139.11220	3.2
145.02881	9.5
145.10176	8.6
147.11708	15.2
149.09586	1.5
149.13277	20.2
151.03963	2.0
151.11197	3.3
151.14877	1.8
153.01833	100.0
154.02164	4.2
159.11726	9.3
161.13272	13.7
163.03911	58.0
163.11223	2.1
163.14832	11.9
164.04257	2.1
164.07086	2.7
165.12772	4.5
171.02904	5.5
173.13257	6.5
175.14899	8.3
177.16370	7.1
179.03433	4.8
179.14310	4.1
187.03957	1.9
187.14818	4.8
189.16418	8.8
191.17952	1.6
201.16335	4.0
203.17960	3.7
204.18913	1.4
205.15912	1.7
207.17488	2.0
215.18031	7.9
217.19743	1.6
229.19481	1.5
231.21075	2.8
233.19012	2.3
243.21164	1.6
245.22673	5.7
271.06210	2.3
271.24118	24.8
272.24438	1.7
289.07043	71.6
289.15002	3.1
289.18213	4.1
289.25250	72.0
290.07315	4.8
290.25574	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03937	4.4
55.01885	2.0
55.05508	17.0
57.07079	8.1
64.34721	1.4
65.03934	2.6
67.01859	5.3
67.05177	2.4
67.05508	26.8
68.99775	2.5
69.03418	3.4
69.07073	35.5
71.04971	2.4
71.08626	3.1
71.30794	2.3
71.31199	2.0
79.05495	23.5
81.03408	4.7
81.07063	67.1
82.07395	2.0
83.04985	2.7
83.08639	11.0
84.04513	2.8
85.06532	2.1
89.03925	5.0
91.05485	20.6
93.07053	36.9
95.04972	11.0
95.08611	69.1
96.08970	1.7
97.06515	6.7
97.10170	11.0
99.08083	2.2
103.05425	2.4
105.07037	28.4
106.07407	2.0
107.04957	4.0
107.08595	38.4
109.06519	6.7
109.09451	2.8
109.10163	44.3
109.10898	2.5
111.00797	3.6
111.08073	3.4
111.11708	5.9
112.05942	1.8
117.03351	9.1
117.07027	6.0
119.08581	27.0
121.06503	4.6
121.10149	26.4
122.95390	1.5
123.04431	4.9
123.08103	3.1
123.11713	22.9
125.09598	3.9
128.06171	1.7
129.07005	2.2
131.08585	12.9
133.10123	21.4
135.04410	15.4
135.08067	5.2
135.11696	21.5
137.06006	2.1
137.09628	3.7
137.13271	7.0
139.03938	1.7
139.11176	4.3
141.07051	1.9
143.08598	3.2
145.02826	8.9
145.10106	12.6
147.08057	1.6
147.11685	18.8
149.09619	2.3
149.13272	23.0
151.11165	4.1
151.14807	1.9
153.01833	100.0
154.02167	4.9
155.02353	1.7
157.10214	2.5
159.08029	5.7
159.11696	12.0
161.09595	3.9
161.13251	12.5
163.03922	47.3
163.11232	2.2
163.14845	12.4
164.04279	2.9
165.12759	5.4
171.02888	5.9
173.09625	1.9
173.13293	8.1
175.14856	11.5
177.16379	4.9
179.03386	5.1
179.14362	3.9
185.09731	2.0
187.03830	2.1
187.14822	10.6
189.16383	8.2
190.07823	2.4
191.14267	1.8
193.15981	2.6
201.16396	10.2
203.17972	5.4
205.15996	2.5
215.17950	10.2
218.07271	5.5
224.84212	1.6
226.17160	1.5
229.06538	2.5
229.19447	3.3
230.07106	2.0
231.20897	1.7
233.18979	4.1
243.21216	1.8
245.22623	4.4
246.06708	4.3
256.73416	1.5
257.05872	1.8
261.09180	6.6
271.06070	2.6
271.10840	2.9
271.16910	2.6
271.24216	34.1
272.24411	2.5
274.06284	3.4
289.06583	54.6
289.18307	10.5
289.21805	3.1
289.25247	77.7
290.06454	3.0
290.25623	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	291.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50459	2.0
52.27512	2.1
54.61860	2.1
55.01882	4.5
56.05049	2.5
56.96568	100.0
57.92068	1.9
59.05009	5.6
60.04533	3.8
69.03430	3.1
69.07066	2.8
69.88837	8.5
70.06600	4.6
71.95309	3.1
80.28136	2.5
84.08147	5.9
84.96030	8.7
85.02930	2.4
86.09699	26.7
87.04457	3.3
87.05597	5.2
87.10036	2.6
91.05436	2.2
98.23289	2.2
98.97587	67.1
99.81436	2.3
101.07179	2.8
107.17695	2.0
110.97561	4.9
111.08080	2.5
112.02190	2.3
112.07632	3.2
112.99113	4.5
116.98621	41.8
116.99429	3.0
124.99118	30.0
128.98611	3.7
130.03262	4.2
131.00188	4.5
134.99634	14.1
139.00684	3.0
141.02223	5.4
143.00171	60.4
143.11772	2.8
144.98145	3.2
147.04439	5.4
152.98634	5.6
153.00690	2.6
159.03268	7.1
161.01222	44.4
162.99225	2.7
167.00143	3.0
169.01746	8.3
170.99643	30.6
173.01210	2.9
173.12825	16.0
174.13243	2.9
175.89888	2.5
177.00717	3.7
177.05511	2.9
179.02312	8.0
185.01230	22.2
185.06038	2.2
186.99142	3.3
187.02823	6.9
189.00708	34.1
191.02231	2.5
201.00638	2.0
201.05470	2.8
203.02321	20.2
205.00264	7.4
207.01796	7.2
213.00729	17.9
221.03426	4.8
223.01254	2.8
231.01712	28.5
237.02834	4.3
245.03369	3.6
245.08142	3.8
247.01302	2.9
249.02850	32.7
263.04446	2.9
267.03934	21.1
273.02838	8.7
285.05008	9.7
290.94754	5.2
291.03891	32.8
291.08063	7.3
291.10822	3.9
291.13309	6.0
292.15475	2.4
308.95618	3.7
309.04965	41.1
309.08322	4.7
311.02090	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97634	3.7
56.96301	6.5
56.96569	100.0
60.94333	3.5
68.75640	3.8
69.03437	4.5
71.22520	5.1
73.02898	5.0
78.95667	4.2
85.02927	4.4
86.21640	4.7
88.68536	3.9
94.93001	6.5
98.97584	75.3
110.97596	4.7
112.89609	33.8
114.89342	14.4
116.89130	7.1
116.98615	37.6
118.08668	4.7
124.99127	33.1
131.00162	4.8
134.99689	8.0
141.02260	5.9
143.00168	73.9
152.98584	5.4
158.99693	6.3
159.03348	6.8
161.01277	43.3
163.03880	3.9
167.00218	5.3
169.01770	7.2
170.99637	33.3
173.01256	4.3
177.00679	4.7
185.01254	23.2
186.91696	21.7
187.02844	8.0
189.00674	46.2
191.54109	12.1
200.04506	10.1
200.54645	11.9
203.02284	27.8
205.00151	7.3
207.01738	6.0
207.96577	4.6
213.00662	19.6
214.85016	9.4
216.94919	7.6
231.01808	40.2
232.92297	14.6
247.01250	6.2
249.02811	45.3
261.99722	3.9
263.04221	4.3
267.03903	23.7
273.02847	13.6
285.04962	13.3
291.03931	40.9
291.06915	9.6
309.04840	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52019	4.7
56.96564	54.8
63.21891	4.8
70.74664	6.7
70.75004	7.0
77.20078	4.2
78.81306	4.3
79.28391	4.8
82.95047	4.8
83.47705	4.2
84.96025	9.1
98.97588	100.0
107.04928	5.2
110.97577	8.9
116.98621	34.8
118.47482	4.4
124.99135	17.8
128.98589	9.6
134.99733	6.2
143.00160	27.5
145.01740	7.3
152.98582	6.9
158.99713	23.9
161.01190	15.3
170.99658	15.7
177.00723	10.9
185.01239	11.4
189.00734	16.0
203.02277	12.4
213.00725	12.4
219.01794	8.7
221.03262	4.9
231.01781	12.6
237.02872	9.7
249.02800	14.6
267.03647	9.7
285.04630	4.2
291.03772	10.5
291.08282	39.5
309.04813	17.8
309.08621	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1339
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
52.58284	0.5
55.01831	1.1
55.05463	0.9
58.06553	0.7
64.66267	0.4
65.03904	0.4
67.05448	0.9
69.03372	1.4
69.29116	2.8
70.06555	0.6
72.08105	0.6
81.03358	1.6
81.07000	0.6
84.08157	2.9
85.02841	1.5
91.05423	1.2
93.06987	0.8
95.04922	0.7
95.08521	0.6
97.02845	0.7
103.05460	0.6
105.07000	0.7
107.04897	0.6
115.05405	0.8
117.06965	0.7
119.04879	0.9
125.09617	0.6
127.03838	2.0
129.05504	0.5
129.06927	1.4
131.04950	0.6
134.07925	1.9
141.06953	0.7
143.04932	0.8
143.08537	0.7
145.07486	0.4
145.10095	0.8
146.03609	0.5
147.04352	1.9
149.05920	1.1
157.06485	1.2
157.07590	0.7
158.09583	0.5
159.08069	0.6
159.09198	4.0
160.10010	2.7
161.05922	0.8
169.08809	0.8
170.08382	1.0
171.09142	1.5
172.09853	1.5
175.03940	0.5
175.07494	1.3
177.05453	0.9
180.24693	0.6
182.09711	0.6
183.09209	2.9
184.09923	5.7
185.05705	0.8
185.07101	2.1
185.10655	2.1
186.11424	0.6
187.08777	2.4
187.12300	0.7
188.09377	1.8
189.05460	1.3
191.07091	0.6
195.09200	0.9
196.09944	3.5
197.10733	4.2
198.07872	1.0
198.11546	3.3
199.08664	49.4
199.12309	3.5
200.07359	0.8
200.09378	8.5
201.05417	1.5
202.05965	0.5
203.03345	0.8
203.06981	1.3
209.10678	2.0
210.11522	0.6
211.08658	10.6
211.12157	1.5
212.09416	2.9
213.05609	0.9
213.10231	22.8
214.10965	5.1
215.11746	1.0
217.04951	1.3
217.08598	0.9
217.13300	1.6
219.06473	0.8
224.09396	1.3
225.10130	2.1
225.16899	0.5
226.10994	5.8
227.06984	1.0
227.11784	8.7
228.10170	2.0
229.04977	0.5
229.13203	0.7
231.06488	1.5
237.10254	0.9
242.10493	4.7
243.11179	1.7
244.12073	21.4
245.04364	1.7
245.08157	2.1
245.12837	14.2
246.13258	0.8
255.11285	13.5
257.01517	0.5
273.12326	100.0
274.12787	5.0
291.08347	1.7
291.13373	38.3
292.13705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03937	1.2
53.72565	0.5
55.01865	1.9
55.05513	6.0
57.03431	1.9
57.07077	4.4
59.04992	2.5
64.21690	0.6
67.05173	0.9
67.05507	8.0
69.03423	2.1
69.07087	3.1
69.13651	5.5
70.06613	2.9
71.05003	3.9
71.06886	0.9
79.05495	8.3
81.03410	1.4
81.07065	10.7
83.05012	2.8
83.08635	3.5
83.10499	0.5
85.06537	2.6
86.99651	0.6
88.07645	4.2
89.07942	1.3
91.05497	9.0
92.25508	0.6
93.07058	13.5
95.04988	6.0
95.08617	16.9
95.09218	1.3
97.02901	0.6
97.06538	3.7
99.08067	0.6
102.09172	2.0
103.09525	1.0
105.07038	13.6
107.04967	6.2
107.07941	0.9
107.08596	9.4
108.05785	0.9
109.06538	8.8
109.10168	4.5
111.04450	1.1
111.08096	20.0
112.08427	0.7
114.07881	0.6
117.06995	4.1
119.08588	11.6
121.06499	4.1
121.10143	5.1
122.07291	2.5
123.08081	46.2
123.11707	1.5
125.09625	1.7
128.06207	1.1
129.06979	1.6
130.07803	0.8
131.08583	7.5
133.06502	4.4
133.10143	7.9
135.08073	7.0
135.11728	3.4
137.06018	0.6
137.09610	2.8
139.07561	0.7
139.11226	1.0
141.05460	0.9
142.07814	0.7
143.08585	3.6
144.09357	0.8
145.06543	0.9
145.10141	11.5
147.08066	4.5
147.11714	5.9
149.09645	6.9
149.13248	1.0
151.07553	100.0
152.07880	1.9
156.09352	2.2
157.10156	4.3
158.10942	0.7
159.08060	2.4
159.11743	3.4
161.09660	5.1
161.13255	1.7
163.07494	0.7
163.11258	3.4
165.09085	1.3
169.10173	1.0
171.11676	2.9
173.09625	1.9
173.13292	3.5
174.10408	2.3
175.11151	4.0
177.09113	1.3
177.12787	1.8
179.10664	4.8
183.11652	0.8
185.13268	1.2
185.78740	0.6
187.11185	2.0
187.14761	0.9
189.12761	25.1
190.13310	1.1
191.10677	1.6
191.14288	2.9
192.11464	5.5
197.11746	12.2
197.13329	1.3
199.11270	0.7
203.14333	1.7
205.12251	0.7
207.13821	60.1
208.14128	2.1
213.12709	0.6
213.16452	1.7
215.14389	3.2
217.12247	2.1
217.15852	1.2
228.23273	1.0
229.23586	7.8
231.13733	0.9
231.17471	1.7
233.15350	7.9
235.13266	1.5
237.16425	0.7
245.15857	0.6
245.18877	0.9
249.18629	0.7
255.17488	1.9
273.18478	7.9
273.26096	0.7
291.16574	1.4
291.19580	39.9
291.27179	21.5
292.19913	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.82418	0.9
53.03939	2.2
54.55009	1.0
54.78596	1.2
55.01867	2.5
55.05514	11.7
56.96561	1.0
57.07065	3.2
59.04996	2.8
59.16505	0.8
67.05502	7.5
69.03421	3.3
69.07051	1.9
70.82494	1.9
71.04992	5.9
71.08649	1.3
79.05493	11.9
81.07063	9.5
83.04992	2.2
83.08620	12.7
85.06528	2.6
91.05492	7.1
93.07043	13.2
95.04971	7.7
95.08610	18.1
97.06531	5.4
105.07040	11.8
105.51957	1.0
107.04951	16.7
107.08591	10.0
109.06515	8.4
109.10160	2.9
111.08076	41.4
113.09657	1.4
117.06990	2.8
119.08575	11.1
121.06516	2.9
121.10143	8.4
122.07272	1.4
123.08071	35.9
123.17114	0.8
125.09669	2.9
129.06985	1.7
131.08562	9.1
133.06480	3.5
133.10129	9.3
135.08034	5.6
135.11736	2.2
137.09572	2.8
139.11179	1.3
142.07774	1.2
143.08591	2.0
145.10094	5.5
145.14783	1.0
147.08005	3.9
147.11670	6.4
149.09616	9.9
151.07538	100.0
152.07855	2.5
155.10655	2.5
156.09343	2.2
157.10107	4.8
158.10840	1.2
159.08044	1.9
159.11710	1.3
161.09619	3.9
161.13269	2.1
163.11218	2.8
165.09142	2.4
167.10701	1.3
171.11705	2.5
173.09525	1.2
173.13248	6.6
174.10435	1.6
175.11163	5.9
177.09149	2.6
179.10689	5.0
181.12216	1.9
182.11032	1.3
185.09541	1.0
189.12740	27.1
190.13321	1.6
191.14304	13.0
192.11453	4.3
193.12186	1.6
197.11720	13.0
197.13300	1.9
207.13802	63.1
208.14064	2.4
213.16342	2.0
215.14293	4.3
217.12166	3.5
233.15358	37.4
234.15649	1.4
235.13359	1.6
249.18498	1.9
255.17467	2.3
260.08282	1.0
269.10678	1.8
273.18591	6.5
287.11465	1.0
291.10086	1.4
291.19537	49.9
291.27203	2.6
292.19833	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.51032	1.4
55.01866	2.7
55.05503	5.2
57.07057	2.0
66.22224	1.5
67.05499	13.1
69.03446	1.6
69.07063	6.3
69.90388	5.5
69.90725	2.2
73.40579	1.3
75.68142	1.4
79.05503	9.7
81.07064	18.5
83.04996	2.9
83.08602	1.9
91.05499	10.1
93.07053	19.1
94.11057	1.6
95.04976	42.9
95.08614	14.0
97.06529	4.1
98.22568	1.6
99.08118	1.3
104.87633	1.6
105.07046	9.2
107.04987	3.3
107.08597	37.2
109.06521	41.0
109.07252	2.9
109.10145	8.2
111.08093	3.2
116.81480	1.4
117.06976	2.0
119.08600	12.8
121.06501	3.9
121.10168	8.4
123.08081	4.6
123.11676	6.6
129.07021	2.1
131.08571	4.9
133.10124	13.3
135.08046	6.3
135.11697	39.1
136.12056	1.7
137.09674	1.3
137.13263	5.1
143.08556	4.4
145.10094	3.3
147.08002	2.1
147.11684	5.3
149.09622	2.2
149.13281	1.7
157.10139	4.9
159.11714	4.0
161.09644	3.4
161.13210	2.1
162.97287	1.4
163.11078	1.7
165.12766	4.1
171.11694	8.5
173.13312	5.5
175.11217	3.1
180.56732	1.3
187.11293	1.6
187.14833	1.9
189.12628	2.7
189.16360	3.0
203.14537	1.7
213.16446	9.0
231.17439	12.0
257.65671	1.5
291.19562	100.0
291.23111	9.2
292.19894	6.5
312.27335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	7.0
55.01622	2.5
55.01871	18.9
55.05515	56.8
57.03434	17.3
59.04992	3.7
65.03921	3.8
67.05181	3.2
67.05507	49.3
69.03426	10.7
69.07063	19.6
71.04974	7.0
71.07903	4.3
74.30972	2.1
79.05495	79.0
81.03402	3.3
81.07059	70.2
83.04975	8.2
83.08615	24.9
83.19981	2.5
85.06531	3.5
91.05480	85.9
92.05824	2.9
92.55222	2.2
93.07043	39.8
94.90027	2.5
95.04967	23.0
95.08610	27.8
97.06504	4.9
97.10172	26.8
103.05469	4.0
105.03375	5.0
105.04507	2.7
105.07044	37.6
106.04888	2.1
107.04950	22.1
107.08601	35.6
109.06524	12.4
109.10182	16.5
111.08083	12.1
115.05450	6.0
116.06231	2.5
117.07023	40.1
119.04953	5.3
119.08584	84.8
120.08894	4.5
121.06500	16.5
121.10144	14.6
123.08060	10.7
125.09634	25.0
128.06160	5.4
129.07021	19.4
131.08574	38.0
132.05685	3.7
133.06483	6.4
133.10143	12.5
135.08072	19.8
135.11667	3.6
137.09615	2.9
143.08559	20.1
145.06538	3.6
145.10115	41.3
147.06888	3.7
147.08054	57.2
147.11703	8.8
149.09598	9.9
149.13232	2.8
151.07547	13.5
153.09155	4.3
157.10178	16.1
159.08070	6.5
159.11703	13.2
160.77850	2.6
161.09648	12.7
161.13217	3.2
163.11168	6.6
171.11673	7.3
175.11246	6.3
185.13173	5.5
187.11131	2.6
189.11183	13.2
189.12715	4.5
195.11717	3.4
199.14760	3.6
205.31798	2.3
207.13806	9.8
213.12712	2.6
217.12148	2.7
217.15912	7.0
223.13419	3.2
227.17918	6.5
233.15353	3.7
237.16330	4.9
245.18985	5.9
249.14838	7.7
255.17433	10.9
263.20068	2.4
273.18494	100.0
274.18851	4.7
291.10391	3.0
291.15881	6.1
291.19525	86.8
291.26773	3.1
292.19916	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02357	3.0
53.03957	9.5
55.01875	15.9
55.05515	30.4
57.03438	5.7
57.06882	1.5
57.07085	16.7
58.06608	1.8
65.03951	2.7
67.05505	33.4
69.03434	5.7
69.07069	12.6
69.70910	4.5
69.71298	3.2
71.04970	2.3
74.06087	3.2
77.03944	2.1
79.05497	74.8
81.03432	6.3
81.07059	100.0
83.04984	6.6
83.08639	15.2
85.06532	2.8
88.07634	5.3
91.05484	42.2
93.07045	30.8
95.04974	28.6
95.08602	17.5
97.06537	2.2
97.10176	14.0
103.05445	4.8
105.03412	5.5
105.07042	27.5
107.04955	48.4
107.08607	21.4
109.06526	41.4
109.10160	6.4
111.04470	2.6
111.08080	3.2
115.05466	3.7
116.06232	2.4
117.07030	30.6
119.04955	8.9
119.08588	55.2
121.06512	28.9
121.10133	12.6
123.08074	4.8
125.09666	12.2
129.07025	14.3
130.07809	3.3
131.08582	22.3
133.06487	8.8
133.10149	6.8
135.08057	21.5
135.11702	4.0
137.09634	3.5
141.06987	2.6
142.07796	2.3
143.08566	7.7
145.10110	24.6
147.08031	26.7
147.11674	2.5
149.09676	10.7
157.10106	10.4
159.08092	4.3
159.11708	7.0
161.09636	11.4
163.11194	10.9
171.11714	5.9
175.11215	4.6
180.10204	46.1
185.09755	2.2
185.13240	6.4
189.11201	4.9
199.14783	3.6
213.12602	3.4
213.16270	1.9
217.15918	3.1
223.13304	4.7
231.13730	2.1
236.16498	25.9
237.16537	2.8
239.20042	1.8
243.25145	5.3
245.19102	3.2
249.14842	14.6
255.17485	6.6
273.18494	45.5
274.18771	2.8
284.99606	1.8
287.82617	2.0
291.19568	74.0
291.27167	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.15194	2.6
52.81576	2.2
53.03944	6.0
55.01867	8.2
55.05513	38.2
56.96577	5.2
57.03437	5.0
57.07072	12.2
67.05504	47.1
69.03431	10.9
69.07069	56.0
69.15768	2.1
70.18144	5.0
71.04988	10.9
71.08631	4.4
71.15213	2.7
79.05495	49.3
81.03422	7.9
81.07059	100.0
83.04973	13.1
83.08624	30.9
85.02920	2.7
85.06551	8.5
91.05476	40.3
93.07047	58.8
95.04955	12.2
95.08611	84.5
97.06538	16.8
97.10173	15.6
99.08103	5.4
105.07037	45.9
107.04942	13.4
107.08604	59.5
109.06535	41.7
109.09431	4.6
109.10151	44.7
111.08123	12.0
111.11704	9.0
115.02648	2.5
115.05448	5.3
117.07040	13.2
119.08583	29.6
121.06506	8.5
121.10144	56.6
122.10339	2.9
123.08067	13.4
123.11700	30.6
125.09630	13.2
125.13276	3.9
128.06223	3.4
129.07013	11.5
130.07802	2.9
131.08572	22.6
133.06497	10.0
133.10138	19.8
135.08067	24.7
135.11693	23.0
137.09618	5.7
137.13278	7.1
139.11214	4.4
141.06970	3.0
143.08553	7.2
145.10133	15.7
147.08051	10.3
147.11684	17.4
149.09618	20.8
149.13281	16.1
151.07513	9.6
151.11084	3.0
151.14813	4.7
153.12761	4.5
157.10162	12.1
159.08081	7.2
159.11684	6.9
161.09619	9.4
161.13287	7.0
163.11172	7.9
163.14812	14.1
167.10689	73.3
169.10138	3.2
171.11623	6.3
173.09601	3.2
173.13272	10.5
175.11198	9.4
175.14810	4.5
177.12677	2.9
177.16379	6.7
183.11719	2.5
185.09645	3.9
185.13329	3.5
189.12698	4.0
191.10669	11.5
191.14323	3.9
191.17911	4.6
192.11285	3.8
197.13341	4.0
199.11311	3.3
203.08626	3.6
203.17900	4.1
207.13824	7.6
207.59550	2.4
213.16324	4.0
215.14363	7.3
216.15311	2.7
217.15865	7.9
217.19576	4.4
227.18019	4.0
227.72527	2.7
233.15361	19.7
245.18994	2.6
248.08215	2.8
255.17473	5.8
273.15533	4.3
273.18475	29.4
273.21646	3.4
273.25760	10.1
282.93442	2.3
291.06760	3.6
291.10031	6.7
291.13055	4.5
291.15988	12.8
291.19534	74.3
291.23141	5.8
291.26752	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.4
55.61828	8.2
63.32234	9.9
67.05500	12.9
69.03458	10.4
70.06568	13.2
71.04991	38.7
71.30962	14.0
78.78273	9.2
79.05486	28.3
81.03398	20.5
81.07068	46.5
83.04999	16.7
84.04510	10.9
85.06528	17.7
91.05475	30.4
93.07039	58.9
95.04948	28.3
95.08617	27.4
105.07041	38.5
107.04920	8.6
107.08598	40.2
109.10107	15.7
110.16191	7.8
115.07615	10.6
117.07047	16.0
119.08574	29.0
120.08111	24.7
121.06551	14.7
121.10136	93.1
123.08096	15.0
123.11730	10.6
125.09615	49.5
129.06984	13.9
131.08533	21.6
131.10254	8.3
133.06461	10.3
133.10127	79.1
143.08667	13.7
143.10684	100.0
145.10112	26.9
147.04454	12.8
147.08066	9.4
147.11699	12.3
149.13269	12.3
151.07518	14.6
151.11166	15.7
159.11671	14.8
175.07489	10.5
189.16347	19.6
203.08391	10.6
219.17400	23.0
237.18498	23.9
248.08315	10.2
273.12177	12.2
273.18628	9.4
291.09946	17.6
291.13098	20.0
291.19559	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	291.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	5.5
55.01868	7.8
55.05518	10.4
57.03453	4.3
57.07051	4.0
60.67144	3.5
60.89772	3.4
61.37123	3.7
63.25080	3.2
67.05511	19.5
69.03416	7.7
69.07072	13.3
71.05000	45.8
71.08655	5.1
71.30980	4.5
72.11616	3.2
75.44492	3.6
79.05489	19.1
81.03448	9.0
81.07061	42.2
83.04995	7.1
83.08617	7.0
85.06544	9.3
91.05485	21.7
93.07050	44.3
95.04987	16.7
95.08615	19.9
97.06532	10.6
97.10174	9.4
99.08091	8.9
103.83586	4.3
105.07034	50.3
107.04973	3.7
107.08598	33.4
109.06536	8.3
109.10136	23.1
111.04533	3.7
117.07037	6.9
118.06553	5.0
119.08598	27.3
121.06554	5.9
121.10147	94.3
123.08015	4.3
123.11733	7.3
125.09631	39.8
127.11214	6.3
129.07028	5.0
130.06541	15.4
131.08591	14.1
132.08133	6.0
133.10132	100.0
134.10474	4.1
135.11729	7.1
137.09654	5.9
143.10672	71.1
145.10156	16.8
146.06032	5.1
147.04448	8.2
147.11693	17.8
148.51727	3.9
149.09666	6.0
149.13278	9.6
151.11217	11.1
153.12779	8.0
157.10118	4.2
159.08014	5.3
159.09244	8.6
159.11720	23.9
161.13335	9.5
173.13274	4.7
187.14737	3.4
188.07135	7.7
189.16418	36.9
191.40097	3.7
201.16417	11.4
207.17403	8.2
219.17410	20.0
227.08247	4.1
237.18590	17.7
245.09271	14.2
255.19644	9.9
273.18399	4.6
291.09857	5.6
291.13129	7.7
291.19638	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03941	4.6
55.05513	21.9
57.03412	3.3
65.14649	2.6
67.05177	3.9
67.05509	44.4
69.03420	3.6
69.07072	24.1
71.31087	3.9
79.05063	5.7
79.05498	83.1
81.03429	3.0
81.07064	63.2
83.04985	5.9
83.08620	11.8
84.69565	2.6
85.06536	7.0
88.99732	2.9
91.05479	36.0
93.07050	100.0
94.07420	3.3
95.04967	13.5
95.08613	47.6
97.06548	5.8
97.10143	3.9
99.08092	4.1
105.07036	23.8
107.08602	65.3
107.09280	2.3
109.06528	4.8
109.10156	21.1
111.08077	6.8
111.11735	3.8
115.58900	2.7
117.07009	6.4
119.08599	27.9
121.06454	3.2
121.10157	56.6
121.49025	2.7
123.08085	6.7
123.11720	6.9
123.84138	2.7
125.09595	4.2
129.07030	4.6
131.08562	8.2
133.10152	20.7
135.08090	10.3
135.11700	63.8
137.09631	3.3
143.08623	4.4
145.10107	9.6
147.11664	10.2
149.09598	9.7
149.13268	46.1
151.11145	5.4
157.10193	4.1
159.11713	7.4
161.13268	10.9
163.11162	8.7
163.14873	7.1
165.12837	3.3
171.11710	5.7
173.13327	4.2
175.11185	3.2
175.14832	5.0
177.12703	3.4
182.55016	2.7
185.13329	4.3
189.12823	4.6
199.14877	3.5
203.14221	3.9
213.16336	4.1
227.63316	2.7
231.17436	4.5
259.20444	14.5
273.18628	7.7
291.19604	25.0
291.23203	79.1
291.26520	3.4
292.23416	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	291.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.05514	24.7
57.94786	5.5
67.05508	49.7
69.07072	24.2
71.32466	6.5
71.32831	5.4
71.54318	5.3
79.05494	90.4
81.07056	56.7
82.41597	4.9
83.08642	13.1
83.44449	5.3
85.06556	5.7
91.05472	34.0
93.07041	100.0
95.04967	7.3
95.08617	47.2
105.07044	19.5
107.04930	6.0
107.08599	57.4
109.10158	16.0
119.08601	17.5
121.10150	48.7
123.08152	6.1
123.11813	5.2
131.08592	8.7
133.10120	12.2
135.11697	63.3
139.96927	5.3
147.11678	11.1
149.13261	34.7
161.13252	9.4
163.11162	5.2
163.14778	6.6
237.84158	5.4
241.19608	7.4
247.19867	5.4
249.18532	6.5
258.51099	6.4
291.23236	61.0
291.26727	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.40597	3.5
53.03949	6.2
55.05519	22.6
56.02437	3.2
67.05505	41.2
69.07072	15.8
70.36466	6.2
79.05499	73.0
81.07064	61.6
83.08624	13.6
91.05482	34.7
93.07051	100.0
93.80352	3.0
94.07380	3.3
95.04961	7.6
95.08607	44.0
97.06554	3.9
97.10189	5.6
105.07023	22.1
107.08597	64.0
109.06525	3.5
109.10203	16.1
111.74318	3.2
117.07023	5.8
119.08578	17.8
121.10146	43.6
123.08047	3.5
123.11660	4.1
129.07048	6.0
131.08582	7.9
133.10152	21.3
135.11714	56.1
145.10106	6.5
147.11688	12.8
149.09683	8.4
149.13287	37.5
159.11678	6.2
161.13338	6.1
163.11172	5.3
163.14836	8.9
171.11707	4.1
177.12799	3.9
231.32782	3.3
241.19530	6.3
259.20502	6.8
273.22079	3.8
291.19550	49.6
291.23209	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
55.05513	21.9
57.03412	3.3
65.14649	2.6
67.05177	3.9
67.05509	44.4
69.03420	3.6
69.07072	24.1
71.31087	3.9
79.05063	5.7
79.05498	83.1
81.03429	3.0
81.07064	63.2
83.04985	5.9
83.08620	11.8
84.69565	2.6
85.06536	7.0
88.99732	2.9
91.05479	36.0
93.07050	100.0
94.07420	3.3
95.04967	13.5
95.08613	47.6
97.06548	5.8
97.10143	3.9
99.08092	4.1
105.07036	23.8
107.08602	65.3
107.09280	2.3
109.06528	4.8
109.10156	21.1
111.08077	6.8
111.11735	3.8
115.58900	2.7
117.07009	6.4
119.08599	27.9
121.06454	3.2
121.10157	56.6
121.49025	2.7
123.08085	6.7
123.11720	6.9
123.84138	2.7
125.09595	4.2
129.07030	4.6
131.08562	8.2
133.10152	20.7
135.08090	10.3
135.11700	63.8
137.09631	3.3
143.08623	4.4
145.10107	9.6
147.11664	10.2
149.09598	9.7
149.13268	46.1
151.11145	5.4
157.10193	4.1
159.11713	7.4
161.13268	10.9
163.11162	8.7
163.14873	7.1
165.12837	3.3
171.11710	5.7
173.13327	4.2
175.11185	3.2
175.14832	5.0
177.12703	3.4
182.55016	2.7
185.13329	4.3
189.12823	4.6
199.14877	3.5
203.14221	3.9
213.16336	4.1
227.63316	2.7
231.17436	4.5
259.20444	14.5
273.18628	7.7
291.19604	25.0
291.23203	79.1
291.26520	3.4
292.23416	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.13973	1.3
53.03943	2.9
55.01858	1.8
55.05517	25.2
57.03426	2.5
57.07077	12.2
57.37601	1.4
67.05509	33.5
67.05881	1.9
69.03429	1.8
69.07072	50.6
69.21455	4.3
69.21861	4.1
71.04975	2.6
71.08626	4.0
79.05495	23.8
80.75700	1.3
81.03415	2.5
81.07062	100.0
82.07413	1.8
83.04985	3.5
83.08626	22.9
85.06536	3.5
85.10195	2.5
91.05479	9.0
93.07043	31.9
95.04977	5.5
95.08612	88.2
97.06548	6.8
97.10164	14.0
99.08093	2.0
99.11646	1.4
101.23753	1.3
105.07038	13.6
107.04980	1.5
107.08599	33.4
109.06531	1.8
109.10157	55.5
110.10488	1.6
111.08074	5.2
111.11723	11.3
117.78960	1.3
119.08580	8.4
121.10149	23.4
123.08009	2.4
123.11711	26.8
125.09624	2.5
125.13272	4.3
133.10123	6.3
135.11696	24.9
137.13252	12.9
139.11203	4.3
145.10126	1.9
147.11700	7.7
149.09590	1.6
149.13257	23.5
151.14796	4.5
153.12752	5.7
153.89821	1.4
156.65109	1.2
161.13263	5.3
163.14832	18.1
164.08337	1.2
165.12793	1.8
175.14807	3.7
177.16350	7.9
189.16409	3.4
191.17955	7.9
203.18021	3.6
211.97195	1.3
217.19540	3.9
247.24176	1.6
273.18509	1.9
273.25842	13.5
284.03513	1.2
291.12518	1.7
291.19739	4.3
291.26828	66.9
292.27139	3.2
299.14291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02394	1.0
53.03934	1.9
55.01888	2.5
55.05510	26.0
56.78728	1.0
57.03439	1.8
57.07074	10.3
59.04997	1.6
65.03930	1.6
67.05506	36.0
67.24070	1.1
69.03417	2.6
69.07071	55.5
70.07405	1.1
71.04982	4.0
71.08621	3.0
71.31409	1.7
73.06551	1.4
75.65632	0.9
79.05492	23.5
81.03401	1.7
81.07058	100.0
82.07399	2.1
83.04994	5.3
83.08624	21.3
85.02911	1.5
85.06545	5.8
91.05484	13.6
93.07046	34.8
95.04964	5.1
95.08611	79.6
97.06538	18.3
97.10167	12.3
98.83472	1.1
99.08115	6.2
99.08651	1.1
105.07029	15.2
107.04953	1.7
107.08597	34.9
109.06547	2.2
109.10160	58.0
110.10538	1.5
111.08094	5.1
111.11696	8.6
113.09617	6.1
117.06999	3.8
119.08581	15.3
121.06526	2.4
121.10152	24.1
123.08083	2.8
123.11707	27.1
125.09653	5.1
125.13276	3.4
127.11201	1.0
129.07010	1.8
131.08577	4.7
133.06483	1.0
133.10146	9.6
135.08043	2.3
135.11699	25.2
137.09647	2.5
137.13249	12.1
139.11176	6.5
143.08563	1.3
145.10117	4.7
147.11717	6.6
149.13258	23.1
151.11070	1.6
151.14818	4.0
153.12724	2.1
154.78244	1.2
157.10117	1.6
159.11726	2.8
161.13213	6.1
162.09160	1.9
163.14816	13.0
167.14336	1.1
175.14857	2.8
177.16400	6.6
179.17978	1.4
181.16025	1.3
185.09801	1.0
189.09219	1.1
189.16415	4.4
191.17934	5.8
202.07799	3.7
203.08624	5.6
203.17963	5.8
205.19516	3.8
215.07104	1.5
217.19461	6.4
219.08159	1.6
220.08774	1.8
231.08041	6.9
231.21127	1.4
232.08890	1.7
235.20578	2.0
246.14867	2.4
247.24216	1.8
248.08360	4.0
255.17236	1.1
259.07629	6.5
260.05963	1.2
260.08212	7.2
261.08939	1.3
263.10748	2.6
273.18484	5.4
273.25711	13.1
276.07858	2.3
291.10077	21.4
291.12769	1.8
291.19556	7.6
291.26807	62.6
292.10684	1.8
292.27170	4.2
300.33389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21618	2.4
69.08089	23.7
69.08415	3.5
70.49987	2.6
70.56605	2.8
70.57330	2.9
72.74061	2.6
79.66378	2.4
79.88822	2.7
113.54242	2.6
155.56519	2.5
161.99532	38.4
174.01764	2.9
210.18047	2.8
293.06299	100.0
294.06760	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	293.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	34.8
55.05522	3.9
56.96571	16.3
57.03437	22.4
57.07064	2.3
59.05006	100.0
60.05322	2.3
61.02927	4.0
64.80030	1.9
67.05503	7.6
69.03426	8.8
70.06589	3.2
71.01367	11.6
71.05001	15.1
71.29414	2.2
72.08160	4.9
73.02921	17.7
79.05479	2.1
81.03397	2.5
81.07041	3.1
83.01364	13.6
83.04983	3.0
84.04523	2.1
84.08160	9.6
84.96052	4.7
85.02905	15.2
86.09711	4.3
87.00838	3.1
87.04476	60.4
89.02402	7.0
91.05487	3.3
93.07032	2.0
95.01343	3.4
95.04996	5.2
97.02879	2.2
98.97596	18.0
99.04463	3.0
101.02383	30.7
101.06013	2.3
105.05509	4.3
108.34407	1.7
110.97588	4.9
111.00807	22.2
113.02330	2.7
113.06020	9.5
115.03941	47.7
116.98616	13.5
119.03394	2.8
120.08111	8.0
125.02368	2.8
127.03912	3.6
128.94054	2.0
128.98587	4.6
129.01852	65.1
129.05554	1.7
129.10277	1.8
131.03400	1.9
131.07033	15.5
131.08600	2.3
133.04971	17.1
134.99666	4.9
141.01840	4.9
143.03400	31.0
147.02956	4.4
147.04404	3.4
149.01254	1.9
157.01344	32.0
158.99716	3.3
159.02933	5.7
161.01376	1.9
161.03148	2.2
161.04472	45.6
161.07170	4.3
170.99692	2.9
171.02910	32.9
173.06035	2.1
175.02336	5.0
177.00702	3.0
185.04449	6.4
189.00877	3.2
189.03973	60.7
189.05699	4.2
201.00723	3.7
207.05154	2.7
219.01810	3.7
225.43898	2.1
229.06805	3.7
237.02826	3.2
251.04475	4.5
261.06052	3.9
275.07657	23.8
293.06638	46.0
293.09894	2.9
293.11557	3.1
293.15445	4.9
294.06833	2.8
294.10001	2.6
294.17160	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	4.8
55.01878	18.2
55.05516	100.0
56.96561	4.2
57.03441	12.8
57.07078	3.6
59.04991	2.6
59.96374	2.0
65.03952	2.5
67.05511	50.0
69.03413	12.9
69.07069	22.3
69.86973	7.0
71.05003	4.0
71.08609	2.5
78.05383	2.4
79.05498	55.5
79.32382	2.2
81.03409	3.1
81.07061	41.7
81.46950	2.5
83.04956	11.6
83.08620	61.1
85.06549	3.0
91.05491	36.9
93.07045	36.8
95.04989	12.3
95.08615	31.7
97.06532	8.6
97.10178	91.9
98.23199	3.1
98.97585	4.6
105.07043	28.6
105.07685	3.9
107.04955	6.0
107.07867	2.7
107.08601	56.8
109.06525	6.3
109.10177	17.0
111.08084	7.6
113.51515	2.1
116.98618	6.6
117.07030	17.2
119.08581	16.2
119.20586	2.2
120.95277	2.4
121.06518	2.2
121.10176	18.0
123.08091	2.9
123.11721	4.8
125.09635	84.1
126.09982	3.2
129.06946	2.7
129.81693	2.4
131.08560	23.7
133.10149	16.3
135.08035	13.7
135.11713	5.6
137.09625	7.5
139.11179	3.5
143.08527	2.8
143.10704	8.3
145.10141	9.5
147.08160	2.3
147.11722	7.3
149.09630	10.1
149.13173	2.2
151.11172	6.8
153.09125	5.8
153.12755	3.0
159.11711	5.9
163.11218	9.6
171.10191	5.7
171.11652	3.3
173.13297	4.8
181.12213	5.9
183.11681	4.0
185.13257	3.0
189.11229	69.4
189.12869	4.6
190.11555	3.0
201.16422	4.8
223.13231	2.4
229.19186	2.8
239.18051	4.1
257.19009	7.6
275.20090	51.5
285.49466	3.0
293.21121	45.9
294.21384	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	2.6
54.68229	0.5
55.01874	1.6
55.05518	3.7
57.03442	0.8
57.07063	1.0
57.42054	0.5
65.03934	0.9
67.05505	9.5
69.03419	1.0
69.07073	3.1
71.05000	1.4
71.23438	1.0
79.05492	30.0
80.05801	0.9
81.03419	1.6
81.07056	100.0
82.07387	1.5
83.04978	1.2
83.08630	2.0
83.70573	0.6
85.06522	1.0
85.13358	0.5
91.05479	11.6
92.53286	0.5
93.07037	6.7
95.04964	3.4
95.08602	5.0
97.06530	2.2
99.08091	1.4
105.07027	8.0
107.04932	0.9
107.08586	5.7
109.06517	54.0
109.10163	2.5
110.06812	0.6
111.04408	0.7
111.08079	1.1
113.06007	0.6
117.07018	1.7
119.08567	7.6
120.66561	0.5
121.10144	3.0
123.08083	3.3
123.11698	1.3
125.09599	1.5
127.44045	0.7
129.07011	1.5
131.08582	2.9
133.10121	9.9
135.08046	1.0
135.11711	0.9
137.09627	1.2
144.90302	0.6
145.10117	2.7
147.11671	9.5
149.09634	5.6
149.13272	1.5
151.11198	3.1
157.10115	3.2
159.11705	1.5
161.09700	0.6
161.13266	1.3
163.11217	3.1
165.12769	3.3
171.11760	0.7
173.13312	0.9
175.11143	4.4
177.12784	1.3
183.11778	0.6
187.11105	0.6
187.15009	0.6
193.12279	4.0
223.13367	0.7
227.12335	0.6
229.19437	0.8
238.88838	0.9
239.18068	0.9
246.21678	0.5
247.20578	1.1
257.19092	1.6
275.20053	23.8
276.20566	1.0
293.21066	15.5
294.21414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	2.9
55.01870	3.8
55.05515	13.5
56.28775	0.9
57.03440	1.3
57.07059	2.4
58.14473	1.2
65.03945	1.2
67.05508	27.4
69.03423	1.2
69.07072	19.9
69.68137	1.8
69.68549	3.6
71.04977	1.9
79.05495	20.0
81.07056	30.1
83.04983	8.1
83.08626	4.8
84.15475	1.1
85.06545	2.3
91.05479	20.6
93.07047	23.1
94.42522	1.0
95.04964	9.1
95.08609	17.8
97.06519	3.4
97.10150	3.0
98.23485	1.0
105.07031	22.6
107.04939	6.4
107.08591	14.2
109.06538	11.1
109.10156	10.0
111.08051	1.8
117.07025	6.6
119.08587	13.9
119.09364	1.9
121.06519	8.5
121.10172	8.0
121.10964	1.6
123.08054	5.5
123.11706	2.6
125.09669	1.2
129.07018	2.7
131.08557	12.8
133.06509	2.3
133.10127	14.8
135.08026	3.8
135.11681	3.9
136.01176	0.9
137.09608	1.5
143.08527	3.1
145.06465	1.3
145.10117	10.5
147.08083	2.5
147.11665	11.6
149.09641	4.3
149.13232	2.8
151.11180	7.2
157.10115	2.3
159.08012	2.5
159.11700	6.8
161.09601	3.4
161.13264	3.8
163.11171	4.2
163.14819	1.3
171.11693	2.6
173.09666	2.1
173.13277	5.7
175.11137	2.8
177.12776	1.7
183.11703	2.3
187.11118	1.1
187.14694	1.2
189.12721	1.4
191.14272	3.1
197.13335	1.3
201.12801	2.6
207.13795	1.7
213.16263	1.0
215.14285	1.3
219.13805	5.0
224.96065	1.0
229.19417	1.9
233.19127	1.5
238.20695	1.2
239.17931	4.0
247.20522	3.7
257.19028	15.5
258.19376	1.8
273.50674	1.0
275.20068	100.0
276.20401	5.9
286.52295	1.1
293.21085	28.1
313.95801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.94657	3.5
53.03942	7.5
55.01859	12.6
55.05515	59.0
62.18672	3.7
63.43620	3.3
67.05504	36.9
68.90096	3.8
69.03422	4.7
69.07059	11.8
69.60671	7.0
69.61084	13.3
71.05013	5.1
72.59838	4.0
79.05498	90.3
81.07066	37.4
83.04974	8.8
83.08632	19.3
91.05486	30.3
93.07047	38.1
95.04980	9.4
95.08615	8.8
97.06525	5.9
97.10193	34.5
105.07065	26.3
107.04281	4.4
107.04961	43.3
107.08599	55.5
109.10146	17.6
111.08083	3.9
117.07018	10.6
119.08590	16.7
121.10152	16.8
123.11693	7.0
125.09648	41.0
131.08562	11.3
133.10129	16.8
135.08069	10.5
135.11641	4.8
145.10168	9.0
147.11693	12.0
149.09622	93.4
153.09064	4.9
159.11734	6.2
161.13274	10.2
169.12209	4.9
178.18687	3.9
187.13208	5.9
189.11205	30.6
229.19525	7.2
257.19064	13.1
275.20071	100.0
276.20358	6.6
293.21024	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	5.9
55.01881	16.7
55.05511	94.7
57.03424	7.7
57.07057	8.2
57.75832	1.8
59.05000	2.9
65.03918	6.0
67.05505	91.4
69.03437	13.2
69.07068	48.2
69.41137	7.2
71.05001	13.0
73.06558	2.3
79.05492	83.3
81.03416	19.9
81.07058	80.8
83.04989	15.4
83.08624	37.2
85.02901	3.4
85.06548	3.6
91.05483	50.7
93.06469	3.6
93.07047	66.2
95.04969	100.0
95.08604	59.4
97.06534	18.2
97.10170	27.5
99.08086	2.1
103.05500	2.2
105.06369	3.2
105.07036	43.4
107.04973	12.3
107.08595	66.2
109.06527	22.5
109.10155	34.8
111.04449	4.8
111.08089	11.2
111.11720	2.6
117.07021	18.6
119.08580	35.2
121.06484	7.1
121.10134	35.3
122.03590	2.4
123.08073	17.1
123.11709	9.6
125.09621	17.9
127.25182	1.9
129.06956	2.9
131.08554	19.6
133.10121	29.1
135.08087	9.7
135.11653	9.5
137.05977	31.0
137.09607	50.7
138.09843	2.3
139.11197	12.3
141.06964	3.4
143.08531	3.6
145.10112	26.1
147.08031	5.0
147.11691	19.5
149.09615	32.2
149.13304	2.6
151.11172	10.8
153.05428	2.3
155.08548	2.6
157.10094	6.4
159.11636	13.6
161.09561	2.8
161.13283	5.5
163.11203	21.1
165.12755	4.4
167.10680	2.8
171.11748	4.0
173.11880	2.3
173.13248	8.5
175.11258	2.8
177.05435	2.4
177.12767	6.6
181.04964	4.2
181.12256	2.2
183.11690	2.5
187.11142	3.7
187.14859	3.1
189.11188	14.5
191.10674	5.8
193.12175	4.9
201.12708	3.2
203.12793	4.5
205.12195	6.4
205.15822	3.9
209.11674	10.9
223.13297	22.7
229.19484	6.0
233.11696	2.1
233.15279	2.8
237.11263	10.7
237.14908	3.2
238.88936	4.4
239.17812	5.2
247.20566	9.3
257.18994	11.2
275.20062	87.9
276.20117	3.8
293.21039	84.4
294.21451	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.74438	1.3
53.03952	5.8
53.35498	1.5
55.01878	10.7
55.05516	24.4
57.03445	2.8
57.07082	2.8
65.03956	2.5
65.46938	1.5
67.05506	43.7
68.28420	1.3
68.81796	1.2
69.03436	2.6
69.07069	20.6
69.42768	1.2
71.04985	2.1
72.13013	1.5
77.03941	1.7
79.05145	1.2
79.05498	51.0
81.03422	9.7
81.07061	63.6
83.04981	6.7
83.08624	13.8
85.06534	1.8
91.05482	33.7
93.07046	33.3
95.04979	17.2
95.08611	27.3
97.06519	16.2
97.10162	6.9
105.06349	1.0
105.07026	35.9
107.04977	10.4
107.08595	38.6
109.06535	15.5
109.10145	13.5
111.08086	4.0
117.07011	11.4
119.08587	21.3
121.06519	6.1
121.10144	15.1
123.08089	7.0
123.11715	5.5
125.09638	6.6
129.07016	3.1
131.08559	16.2
133.06551	2.3
133.10127	21.7
135.08051	4.1
135.11720	7.9
137.09641	8.9
139.54565	1.5
141.06949	1.8
143.08531	1.4
145.06512	2.3
145.10139	11.0
147.11697	15.0
149.09621	19.7
149.13327	4.1
151.11189	9.7
157.10098	2.7
159.11745	12.0
161.09645	2.1
161.13275	6.6
163.11180	8.7
165.09134	5.9
165.12787	1.9
169.10123	3.0
171.11736	3.4
173.09624	2.0
173.13312	5.3
175.11188	3.9
177.12709	3.0
183.11694	2.3
187.11224	3.9
187.14847	2.1
189.11209	3.6
189.12767	2.8
189.20796	1.4
191.14259	3.0
193.12317	1.8
197.13474	2.3
213.16324	1.9
215.18036	2.2
219.13701	1.4
229.19548	4.5
233.19048	1.5
239.18001	4.7
247.20515	7.6
257.18994	12.0
275.20074	100.0
276.20428	3.8
286.50189	1.4
293.21124	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.45621	0.7
53.03933	1.4
54.04061	0.8
55.01879	5.1
55.05517	13.0
57.03406	2.6
57.07050	2.8
59.04969	0.7
62.18648	0.7
65.03912	1.1
66.35101	0.6
67.05509	31.4
69.03416	1.6
69.07074	23.8
69.22849	5.0
71.05008	3.2
71.08613	0.9
79.05500	22.4
81.03393	1.3
81.07062	37.9
82.07378	0.7
83.04988	8.6
83.08619	6.2
85.06511	2.6
91.05486	21.9
92.05771	0.7
93.07053	28.7
94.07376	0.7
95.04971	10.3
95.08614	22.4
97.06546	4.7
97.10136	2.6
99.08076	0.9
105.07035	25.9
107.04971	6.8
107.08601	16.4
109.06535	13.0
109.09586	0.8
109.10164	10.6
111.08074	2.6
112.25877	0.7
115.05419	0.9
117.07048	6.4
119.08588	16.5
121.06522	9.6
121.10152	8.9
123.08088	5.8
123.11697	3.2
125.09618	1.3
129.06944	2.2
130.07800	0.9
131.07712	1.0
131.08578	14.7
133.06470	3.1
133.10136	20.9
135.08058	4.5
135.11697	7.1
137.09610	2.7
139.07513	0.8
139.11197	0.7
141.06958	1.1
143.08569	2.4
145.06413	1.0
145.10149	13.7
147.08028	2.8
147.11705	11.5
149.09656	6.4
149.13257	2.8
151.11200	10.1
153.09132	1.0
155.08572	1.6
157.10130	4.0
159.08022	2.1
159.11682	6.6
161.09593	2.7
161.13225	3.6
163.11177	5.5
163.14888	0.7
165.12730	1.1
169.10077	1.7
171.11646	2.4
173.09630	3.5
173.13301	6.2
175.11185	3.1
175.14856	0.8
177.12747	2.6
183.11699	2.3
185.13196	1.1
187.11157	1.2
187.14847	1.5
189.12740	1.7
191.14406	3.6
193.12383	0.7
197.13281	1.6
199.14874	1.1
201.12766	3.3
201.16379	0.7
205.19530	1.0
207.13760	2.7
215.17960	2.2
219.13853	5.4
219.17284	1.1
229.19458	3.2
231.17424	1.5
233.15424	1.0
233.18925	0.9
235.16920	0.9
239.17957	3.8
247.20544	3.5
248.32181	0.7
257.19025	13.7
258.19421	0.9
275.20074	100.0
276.20456	4.7
289.81302	0.7
293.21127	25.7
294.21286	1.3
295.44400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03959	4.6
54.19901	2.0
55.01869	12.0
55.05270	3.0
55.05512	36.9
56.90102	1.9
57.03442	9.5
57.07064	2.4
65.03921	3.1
67.05507	40.4
69.03436	3.4
69.07071	29.4
69.29160	13.0
71.04985	5.2
77.44905	1.9
79.05497	65.2
79.34649	1.9
81.03404	6.0
81.07060	50.5
83.05001	10.4
83.08628	14.1
85.06541	3.8
91.05478	41.3
93.07042	44.3
95.04427	3.0
95.04980	29.1
95.08613	28.8
97.06525	12.4
97.10167	19.6
98.23306	4.3
105.07028	44.5
107.04937	11.6
107.08595	77.9
109.06525	13.2
109.10171	14.6
111.08081	3.7
117.07017	15.1
119.08585	26.1
121.06509	7.9
121.10152	19.6
123.04378	2.4
123.08072	6.2
123.11703	4.3
125.09612	13.7
131.08554	16.4
133.10132	24.0
135.08054	11.4
135.11690	7.9
137.09547	2.8
139.11168	3.8
141.06935	2.7
143.08565	3.9
145.10144	20.0
147.08076	2.3
147.11710	17.1
149.09634	19.9
149.13182	2.5
151.11172	6.3
157.10115	4.6
159.11694	11.8
161.09587	2.7
161.13252	5.0
163.03914	3.2
163.11182	9.0
165.09123	2.2
165.12770	3.5
169.10124	3.0
173.13234	4.6
177.05476	26.6
177.12737	2.5
178.06276	20.3
179.10388	2.2
183.11578	2.4
185.13237	6.1
189.11218	9.7
189.12709	2.3
191.07024	5.0
197.13242	2.8
201.16440	3.6
203.14244	2.7
205.08629	1.8
205.12199	2.6
219.17387	13.6
221.15306	5.0
229.19469	5.5
233.11736	23.0
237.14821	3.9
239.18010	5.3
247.20578	6.7
257.18906	9.5
275.20078	100.0
276.20450	4.9
293.21133	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	4.2
55.01871	5.1
55.05506	11.1
57.03437	15.2
57.07077	15.4
59.45012	2.3
67.05509	21.9
69.06641	20.1
69.07032	12.8
71.04981	4.6
79.05500	22.7
81.03412	6.7
81.07070	27.8
83.04992	8.0
83.08625	7.0
91.05479	19.0
93.07055	31.7
95.04971	13.2
95.08607	24.8
97.06579	3.3
98.97557	2.3
99.08057	3.1
105.07030	20.7
107.04983	5.1
107.08601	19.0
109.06503	9.9
109.10160	10.9
111.04446	8.8
111.08096	5.2
112.63032	2.7
117.07005	9.5
119.08578	9.7
121.06464	2.6
121.10159	7.7
123.08015	3.0
123.67700	2.4
125.05949	3.7
125.09647	4.6
129.06941	2.7
131.08546	13.5
133.10130	8.8
135.03444	2.6
135.04437	3.8
135.08049	2.8
135.11702	6.7
137.09647	9.8
137.91669	2.7
145.10155	7.1
147.11691	5.0
149.09608	8.3
151.11182	5.4
153.05461	7.2
159.11720	6.6
163.11156	4.4
170.11794	4.3
177.05539	3.4
177.29916	2.4
181.04927	9.4
185.13272	6.7
191.10677	8.5
192.41730	2.2
195.10139	4.8
198.48776	2.4
200.56157	2.5
201.16443	4.5
203.14310	6.2
209.11787	18.2
219.17456	100.0
220.17795	4.3
220.48051	2.7
237.11208	32.4
238.88847	4.3
257.18994	4.7
275.20016	24.5
293.21124	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01863	3.2
55.05518	21.3
57.03437	15.5
57.07084	14.1
58.07412	2.3
59.05009	2.4
67.05511	17.8
69.03449	2.8
69.07069	22.2
69.99288	5.5
71.05001	5.4
71.08661	2.8
78.32709	1.9
79.05494	18.3
80.85695	2.0
81.03415	3.0
81.07059	29.7
83.04979	2.6
83.08633	15.5
85.06557	6.1
91.05477	20.4
93.07053	32.0
95.04993	9.8
95.08609	39.6
96.68440	2.2
97.06551	9.6
97.10165	9.1
99.08112	3.6
105.07041	33.4
107.04954	14.8
107.08597	40.6
108.05327	5.6
109.06528	7.2
109.10160	29.2
111.08089	53.2
113.09647	7.1
117.07052	8.0
119.08582	59.7
119.09927	2.5
121.06522	21.4
121.10164	30.6
123.08065	16.0
123.11693	17.2
125.09667	3.2
131.08569	32.1
133.10129	42.6
135.08102	18.1
135.11708	17.4
137.09634	9.1
137.13235	3.2
139.07581	3.2
139.11142	3.5
143.08548	4.1
145.10127	30.7
147.11684	15.5
149.09628	11.1
149.13257	11.0
151.11211	8.4
153.09128	7.0
157.10152	5.3
159.11681	26.3
161.09650	7.0
161.13272	42.5
163.07552	3.3
163.11212	11.7
163.14885	3.3
165.09102	2.3
165.12766	4.5
167.10678	2.1
167.91766	2.2
171.11694	6.9
173.09645	6.8
173.13254	34.9
175.11183	1.9
175.14830	13.2
177.09143	3.5
177.12837	4.1
179.10635	5.2
180.10152	12.9
181.10574	18.1
181.12083	3.9
183.11714	3.2
185.13290	7.5
187.11232	4.0
187.14839	38.8
189.12814	3.1
189.16399	8.7
191.10686	16.2
191.14363	8.1
191.17955	3.0
193.12384	3.0
201.12785	3.8
201.16464	3.0
203.14316	7.7
205.12227	19.2
205.15860	3.0
209.11708	4.4
213.16478	2.7
215.14482	4.5
215.17964	31.9
217.15846	7.3
219.13847	7.2
219.17480	2.6
221.15446	3.9
223.13310	3.6
229.19609	6.9
233.15381	8.4
233.19006	11.6
236.16487	4.5
237.11182	3.1
237.16833	13.0
247.20645	14.0
257.19055	17.3
266.22650	2.0
275.20071	100.0
276.20303	5.5
293.21124	51.5
293.24423	3.3
294.21414	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	7.2
55.01886	10.4
55.05519	23.1
57.03441	6.9
57.07075	2.6
65.03929	2.3
67.05175	3.2
67.05509	39.9
69.03462	3.5
69.07075	21.0
69.48294	10.6
71.04994	3.2
79.05495	47.2
81.03423	7.0
81.07063	39.5
83.05003	8.6
83.08617	11.1
85.06567	2.3
91.05486	31.1
93.07050	39.5
95.04971	13.8
95.08609	25.9
96.55392	1.7
97.06533	11.3
97.10174	11.8
105.07040	36.3
107.04943	10.9
107.08605	47.8
107.09283	3.4
109.06512	14.4
109.10167	11.7
111.08071	2.2
117.07034	6.9
119.08600	22.0
121.06519	6.2
121.10139	17.5
123.08089	6.9
123.11713	2.9
125.09655	10.2
129.07027	2.3
131.08565	15.7
133.10132	23.6
133.11066	2.3
135.08080	6.1
135.11705	8.7
137.09625	5.3
143.08600	3.2
145.06450	2.0
145.10141	12.2
147.11687	11.3
149.09636	17.8
149.13237	2.5
151.11191	9.3
157.10130	3.5
159.11710	11.5
161.09645	2.4
161.13306	2.8
163.11220	7.0
165.09102	9.6
169.10101	1.6
170.99884	2.0
171.11688	2.6
173.13274	5.9
175.11288	2.7
177.12875	3.8
185.13315	3.0
187.11221	4.3
187.14873	2.1
189.11243	5.0
191.14207	2.0
201.16411	2.0
203.14435	2.5
215.17923	2.5
219.17522	7.7
229.19511	5.2
233.15372	1.7
239.17998	5.3
247.20605	12.7
257.19012	9.4
275.20081	100.0
276.20410	5.1
293.21066	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.24794	1.6
55.05504	5.9
57.03425	2.9
57.07077	3.0
67.05502	5.2
68.98342	1.4
69.07069	9.0
71.31502	2.8
79.05493	4.3
81.07042	10.1
83.08625	5.7
91.05477	5.5
93.07034	4.7
95.04948	1.9
95.08612	15.4
101.06021	1.6
105.07049	15.2
107.08612	11.0
109.06499	2.0
109.10165	6.3
111.04517	1.6
111.08059	2.3
119.08586	12.9
121.10146	100.0
123.08060	4.5
123.11712	7.1
129.09132	5.0
130.75557	1.5
131.08554	1.8
133.07617	2.4
133.10098	4.0
135.11665	4.7
137.13249	10.7
142.65048	1.7
145.10133	3.7
147.11700	28.4
149.09669	2.0
149.13258	2.2
159.11641	3.4
161.13274	4.9
163.11168	2.0
165.12762	61.9
166.13068	2.4
173.13271	2.5
181.05055	1.8
191.10789	1.5
203.18076	2.6
207.13847	3.5
209.11690	2.3
219.13834	4.5
229.19543	3.0
237.11218	3.2
247.20541	3.5
249.18472	4.1
275.20090	7.4
293.17847	2.1
293.20953	22.8
293.27902	2.0
294.21353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03942	5.7
55.01881	9.0
55.05514	32.1
57.03440	3.0
57.07086	1.5
59.04998	2.4
59.88136	1.2
60.78982	1.2
63.87013	1.3
65.03958	2.8
67.05508	30.2
69.03427	3.3
69.07072	15.1
70.56989	2.6
71.04995	3.3
79.05496	57.6
81.03430	7.9
81.07059	31.7
83.04990	8.3
83.08628	19.4
84.52460	1.2
85.06533	2.4
89.62550	1.3
91.05482	35.1
93.07044	28.3
95.04954	8.8
95.08614	20.8
97.06544	8.7
97.10167	21.0
99.08093	1.4
104.49220	1.3
105.07035	37.9
107.04965	9.5
107.08600	100.0
107.71984	1.4
108.08918	2.1
109.06516	6.1
109.10165	9.1
111.08111	2.0
117.07036	10.0
119.06118	3.1
119.08589	19.4
121.06495	3.1
121.10154	10.4
123.08067	4.0
123.11683	2.2
125.09637	21.2
129.07010	2.4
131.08577	10.0
133.10146	21.0
135.08061	5.1
135.11665	8.5
137.06027	1.3
137.09607	2.4
143.08603	1.4
145.06467	2.0
145.10127	13.7
147.11684	16.4
147.12747	1.9
149.09613	20.8
149.13251	3.0
151.11203	4.2
153.09113	1.6
157.10095	3.2
159.08115	1.4
159.11728	10.2
161.13216	4.0
163.11192	4.3
165.09152	4.0
169.10159	2.5
171.10266	1.6
171.11720	3.4
173.13252	6.1
177.12708	2.5
181.12228	1.9
183.11719	1.4
189.11230	12.8
197.13295	2.1
229.19533	3.9
239.17950	4.6
247.20570	4.9
257.19064	10.2
275.20059	80.6
276.20456	4.8
293.21063	15.7
310.56735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	4.6
55.01872	2.9
55.05517	14.5
57.03430	1.8
57.07069	3.2
65.03943	1.3
67.05509	37.5
69.03426	4.6
69.07076	12.5
69.08845	3.1
69.09244	10.0
69.80897	1.1
71.04994	2.3
72.35097	1.3
73.84994	1.3
77.03933	1.9
79.05498	58.4
80.05810	1.5
81.03421	2.8
81.07063	39.5
82.07387	1.4
83.03324	1.2
83.04991	3.4
83.08612	5.4
85.06538	3.9
87.04455	6.1
91.04979	0.9
91.05485	25.9
93.07049	79.5
94.07362	1.8
95.04983	7.9
95.08044	2.3
95.08611	33.3
97.06539	3.4
97.10186	2.9
101.06039	3.0
105.04495	1.4
105.07031	15.4
107.04984	2.6
107.08604	50.2
108.08891	1.9
109.06505	5.4
109.10168	13.6
111.08070	1.9
115.03931	4.6
117.07025	5.6
119.08584	14.8
121.06481	3.3
121.10158	43.9
123.08067	2.8
123.11720	4.5
125.05975	1.8
125.09668	2.2
131.08568	9.8
133.10130	11.3
135.08072	2.4
135.11702	43.5
136.11989	1.5
137.09605	2.0
145.10149	8.7
147.11710	6.1
149.09677	3.0
149.13280	24.1
151.11156	2.8
153.05460	1.2
159.11710	8.9
161.13289	2.9
163.11182	2.4
163.14865	5.0
169.71562	1.2
173.13217	6.5
177.12674	2.0
183.11728	1.6
187.14902	3.5
193.12265	2.0
201.16393	3.0
206.88560	1.3
209.11697	2.3
211.13168	1.3
219.17499	2.3
223.13367	1.8
229.19550	2.3
237.11188	3.1
237.14825	2.8
247.20578	4.4
251.16490	1.6
257.18869	2.7
275.20206	10.3
293.21136	100.0
294.21381	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05509	7.6
57.07076	6.0
67.05505	93.4
69.07070	12.2
69.18806	8.1
69.19238	6.4
73.69282	1.9
79.05499	15.8
81.07059	100.0
82.07431	2.3
83.08607	7.7
85.06512	2.6
91.05493	7.3
93.07038	18.9
95.08609	88.0
97.06517	4.2
97.10194	4.3
105.07043	6.7
107.08607	13.5
109.10162	44.1
111.04454	3.2
115.07632	2.7
117.07024	3.4
119.08611	6.4
120.49826	2.8
121.10128	11.2
123.08041	2.4
123.11695	18.8
131.08571	6.4
133.10109	4.4
135.08105	2.5
135.11668	9.3
137.09590	2.4
137.13263	9.9
145.10127	6.3
147.11703	4.8
149.09618	2.5
149.13268	6.0
151.14859	3.9
159.11746	4.0
161.13245	3.8
163.11227	4.3
169.24097	2.2
173.13243	6.5
177.12823	3.5
177.16464	2.1
181.05008	2.8
187.14816	5.4
191.10693	4.0
191.14345	4.9
209.11755	5.9
221.70024	2.0
237.11095	13.3
237.18561	2.7
243.21190	4.9
261.22177	9.7
272.49762	2.4
275.20090	2.2
293.17834	2.5
293.21198	8.3
293.24780	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03949	1.7
55.01860	0.8
55.05513	21.1
57.03437	0.5
57.07078	10.9
57.16573	0.5
65.03945	1.0
67.05507	34.0
68.05821	0.7
69.03445	0.7
69.07072	40.6
71.05001	1.2
71.07343	0.8
71.07693	0.7
71.08630	4.1
72.91281	0.5
76.30213	0.6
79.05495	12.0
81.07059	83.6
82.07403	1.9
83.08624	21.3
83.09120	1.2
84.08163	0.7
85.06544	11.6
85.10197	1.8
91.05489	2.4
91.52076	0.5
93.07049	11.1
95.04934	0.7
95.08609	100.0
96.08950	2.8
97.06532	1.5
97.10172	13.6
97.31151	0.6
99.08089	10.2
105.07052	2.3
107.08601	9.8
109.10160	55.9
110.10516	1.6
111.08100	4.2
111.11730	9.0
113.09655	2.2
121.10146	6.3
123.11713	30.3
125.09637	1.3
125.13258	3.2
133.10255	0.7
135.11682	5.4
137.13260	27.7
138.13527	0.8
139.11203	1.0
141.12674	0.7
145.10101	0.7
149.13275	6.1
151.14810	4.8
153.12724	0.8
163.14868	2.8
165.16386	2.6
167.14317	0.9
177.16348	1.0
179.17986	1.8
191.17892	1.1
205.19444	0.8
211.20715	0.6
219.21155	0.7
222.06696	0.8
223.20474	0.8
237.22107	0.8
249.25868	0.6
275.27460	1.8
282.31436	0.6
293.08237	1.3
293.11984	0.9
293.21478	1.0
293.28384	32.5
294.28915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03949	0.9
55.01860	1.2
55.05277	1.6
55.05516	23.4
55.51618	0.8
56.56054	0.8
57.03404	1.0
57.07081	14.5
58.47509	0.8
67.05510	34.4
69.03401	0.9
69.07072	45.9
71.05002	1.5
71.08640	4.4
72.67753	0.9
79.05497	11.2
81.07062	88.8
82.10616	0.9
83.08624	22.2
85.06545	13.4
85.10213	0.9
91.05476	3.6
93.07052	13.0
95.04946	1.0
95.08611	100.0
95.99493	0.8
96.08953	2.6
97.06508	1.9
97.10175	16.7
99.08098	10.5
102.81565	0.9
105.07062	2.3
107.08602	12.4
109.10162	65.2
110.10458	1.4
111.08086	3.2
111.11716	8.6
113.09638	2.3
119.08584	2.2
121.10153	9.3
123.11714	32.6
124.12067	1.2
125.09666	1.6
125.13263	3.8
131.08495	0.9
133.10088	1.0
135.11719	6.9
137.13260	31.5
139.14806	1.3
145.10095	1.2
149.13274	7.5
151.14821	5.7
153.12761	1.1
155.14139	0.9
163.14859	2.6
165.16399	3.2
167.14362	1.3
169.15933	0.8
177.10391	1.0
177.16420	2.1
179.17957	2.2
191.17917	1.3
193.19681	1.0
223.20592	1.1
237.22446	0.9
247.24544	1.2
275.20187	2.2
275.27383	2.6
293.08109	3.0
293.11536	1.0
293.28412	33.9
294.28690	1.6
308.84827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03942	2.5
55.01875	4.9
55.05513	30.1
57.03429	1.7
57.07081	11.9
62.15054	1.0
65.03957	2.1
65.66869	0.8
67.05508	51.0
68.05851	1.4
69.07072	45.5
69.15322	7.6
71.04983	2.4
71.08636	4.4
79.05498	22.3
81.03412	3.2
81.07062	99.7
82.07378	3.0
83.04978	2.2
83.08135	1.8
83.08617	25.9
85.06068	1.2
85.06548	13.6
85.10178	1.7
91.05484	14.7
93.07050	23.1
95.04970	5.7
95.08611	100.0
96.08948	1.9
97.06534	5.4
97.10173	16.5
98.22658	2.1
99.08099	11.2
105.07038	15.0
107.04946	4.9
107.07955	1.7
107.08601	21.3
109.06532	7.4
109.10162	60.5
110.10544	1.4
111.08114	7.5
111.11725	8.2
113.09628	3.3
117.07007	4.2
119.08584	9.4
121.06484	2.8
121.10150	15.1
123.08079	2.9
123.11716	32.9
124.12046	1.2
125.09637	5.0
125.13261	3.5
129.06989	1.9
131.08604	4.9
133.10127	7.4
134.10439	1.1
135.08075	2.6
135.11685	8.4
137.09584	2.4
137.13263	28.3
138.13623	0.9
139.11214	1.3
143.08537	1.1
145.06425	1.1
145.10188	5.8
146.57904	0.9
147.08122	1.3
147.11705	6.8
149.09639	7.2
149.13249	9.1
151.11160	4.2
151.14839	5.2
153.12776	1.3
155.08521	1.5
157.10114	1.3
159.11713	3.6
161.13200	1.4
163.11232	4.7
163.14833	3.2
165.09100	2.1
165.12767	1.0
165.16370	1.8
167.14369	1.3
169.15869	1.4
171.11684	1.1
173.09660	1.0
173.13281	2.8
177.12753	1.1
179.17984	2.0
185.13281	1.1
189.11253	1.0
195.17674	1.2
199.14891	1.1
205.19495	1.2
219.21049	1.3
229.19521	1.3
239.18034	2.0
247.20615	3.1
249.25822	1.1
257.19009	4.2
269.71701	1.0
275.20093	28.3
275.27072	2.0
276.20316	2.3
293.21155	10.7
293.28384	32.7
294.28979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01867	1.9
55.05511	24.3
57.03436	1.5
57.07080	15.8
65.03932	1.3
66.30682	1.1
67.05509	37.2
69.03426	1.5
69.07070	46.1
69.69151	0.9
71.04994	1.9
71.08621	4.6
72.08152	1.4
79.05497	14.4
81.03416	1.4
81.07058	91.2
82.07388	1.5
83.04955	1.3
83.08620	26.6
84.08945	1.2
84.53123	1.1
85.06548	13.0
85.10159	1.5
87.98772	0.9
90.95078	0.8
91.05472	6.1
93.07051	17.5
95.04945	2.3
95.08607	100.0
95.12407	1.0
96.08945	2.5
97.06539	3.5
97.10173	14.1
99.08096	11.4
105.03426	2.2
105.07000	5.2
107.04965	0.9
107.08594	16.2
108.54822	1.0
108.67692	1.1
109.06500	2.6
109.10157	61.9
110.10544	1.1
111.08091	6.7
111.11716	9.9
113.09647	3.2
117.06989	1.3
119.08608	2.8
119.78174	0.9
121.06544	1.2
121.10147	9.8
123.08057	1.9
123.11710	35.6
124.12084	1.1
125.09613	3.7
125.13269	3.3
126.22786	1.0
131.05070	1.0
133.10139	3.9
135.08012	1.2
135.11684	6.8
137.09642	1.1
137.13251	31.5
138.13612	1.1
139.11180	1.4
139.14922	1.3
145.10078	1.2
147.11734	2.2
149.09665	1.0
149.13248	9.9
151.14789	5.6
153.12759	1.2
159.11656	2.2
161.13229	1.3
163.14841	4.3
165.16397	3.0
167.14314	2.7
177.16458	1.0
179.17963	1.7
183.17354	1.2
205.19635	1.3
219.20882	1.0
223.20529	1.3
249.25804	2.0
265.08502	1.6
275.19913	4.8
275.27380	3.0
293.21210	1.9
293.28378	45.3
294.28806	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	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.03951	0.2
55.05503	0.3
57.07071	0.9
63.26269	0.2
65.03934	0.2
65.50417	0.2
67.05495	1.2
69.07079	0.3
70.60844	0.3
70.61155	0.3
71.08640	0.4
73.89312	0.2
77.03907	0.3
79.05492	1.3
81.06631	0.3
81.07063	2.7
82.07376	0.2
91.05478	1.1
93.07056	0.4
93.70734	0.2
94.04201	2.3
95.04967	0.3
95.08606	0.4
97.10140	0.4
98.22710	0.3
105.07037	0.3
107.04914	0.5
107.08591	0.4
108.08947	0.3
109.06506	0.7
111.04436	0.2
114.09243	0.3
114.53181	0.2
121.10147	0.5
122.03653	6.8
123.11726	1.7
125.09674	0.3
128.09752	0.2
131.08476	0.3
137.05978	100.0
138.06319	1.8
139.11188	0.4
141.12779	0.4
147.11597	0.3
158.15417	1.6
170.15446	2.0
182.05309	0.3
210.12114	0.4
237.11172	0.4
238.11569	0.8
276.20340	0.6
294.20908	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73706	0.3
55.01845	0.3
55.05495	0.9
55.36991	0.3
57.07075	1.7
65.03926	0.4
66.04736	0.4
67.05502	1.9
69.07065	0.6
69.62201	1.1
71.05010	0.4
71.08625	1.1
76.68983	0.3
79.05487	1.4
81.03455	0.2
81.07050	1.9
83.08619	0.5
91.05488	1.1
93.07048	0.9
94.04174	2.8
95.04951	0.3
95.08631	1.6
98.22648	0.4
104.01150	0.3
105.07005	0.4
107.04938	0.6
107.08588	0.6
109.06499	0.7
121.10201	0.3
122.03651	7.3
137.05978	100.0
138.06299	2.0
141.12750	2.2
158.15408	1.4
165.97734	0.3
170.15486	0.6
186.75668	0.3
226.00035	0.3
246.51346	0.3
259.20624	0.4
276.19638	0.9
277.21695	1.0
294.20764	0.6
298.95129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03939	1.8
55.01873	19.3
55.05494	1.1
56.88712	0.4
57.03439	34.2
59.05005	4.3
61.02929	16.7
67.05499	0.9
67.47859	0.4
69.03430	41.8
69.07069	1.4
69.47657	2.2
70.03779	0.5
71.01357	7.8
71.04991	2.0
73.02919	51.7
74.02442	0.5
74.03232	0.7
75.04512	0.5
79.05494	1.8
81.03418	6.6
83.01335	0.7
83.04977	0.9
84.08167	0.6
85.02906	100.0
86.03230	1.3
86.09717	1.5
87.04480	7.0
87.09029	0.5
88.04003	1.9
91.03973	3.7
91.05479	9.8
92.05820	0.5
93.07035	0.9
94.06573	1.9
95.04953	1.2
95.08629	0.7
97.02892	43.7
97.06542	0.8
97.10161	0.4
98.03228	0.6
98.23323	0.7
99.04462	4.0
101.02422	1.3
103.03947	5.9
103.05450	0.7
104.03436	0.8
105.07054	0.9
107.04960	0.8
109.02884	7.4
109.06536	0.6
111.08081	0.7
115.03929	25.3
117.05436	0.4
119.04942	6.1
119.08648	0.7
120.04499	0.7
120.08118	2.6
121.06471	1.3
123.04416	1.2
125.06036	1.1
127.03917	21.4
133.04967	40.9
134.05325	0.9
136.07579	28.4
145.04955	20.6
146.06046	4.4
147.04407	3.6
148.04739	1.4
150.07759	0.6
151.03932	2.2
154.83383	0.5
161.06021	0.5
163.06006	3.8
164.07228	0.5
165.05502	0.4
169.04913	0.9
174.04076	0.9
174.05518	1.5
177.05482	0.5
181.04903	0.7
187.06195	0.6
193.04997	1.1
199.06042	0.8
211.06013	0.8
221.06081	0.9
223.05995	1.0
241.07149	2.0
249.05464	0.6
259.08075	0.6
263.07504	0.5
263.10852	0.4
277.15610	0.6
295.05905	0.9
295.12009	0.5
295.16537	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	295.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01875	16.5
55.05514	0.7
57.03438	33.4
57.04572	0.9
59.05002	3.0
61.02610	0.6
61.02927	13.7
69.00664	3.0
69.03431	37.6
70.03762	0.6
71.01351	6.7
71.04983	1.7
72.08190	0.4
72.57376	0.3
73.02917	51.1
74.03259	0.5
75.04472	0.8
79.05495	0.6
81.02976	0.6
81.03420	6.5
81.03859	0.6
81.07050	0.5
81.74396	0.3
83.01331	0.6
83.04950	0.8
85.02905	100.0
86.03239	1.1
86.09691	0.4
87.04469	7.1
91.03944	3.6
91.05470	0.5
94.04044	2.2
95.04977	0.7
97.02893	45.9
98.03233	0.4
99.04468	3.6
101.02391	0.9
103.03947	5.9
103.05470	0.9
105.07059	0.5
107.04952	0.6
109.02883	6.8
109.06441	0.4
111.04450	0.4
115.03928	29.3
121.06424	0.4
123.04395	0.9
123.06677	1.5
125.02357	0.4
126.17260	0.3
127.03915	19.9
131.04948	1.0
133.04970	46.1
134.05341	0.5
135.05392	0.7
135.08073	0.4
136.07573	0.7
137.06032	0.4
139.03842	0.5
140.22090	0.3
145.04959	21.9
147.04404	0.9
150.07748	72.3
150.96472	0.3
151.03906	1.2
151.08037	1.2
157.04979	0.6
163.06023	4.3
163.07521	1.4
169.04987	0.7
175.07526	0.4
181.04956	0.5
187.05948	0.6
193.05019	0.9
199.06039	1.2
211.05971	0.5
216.56114	0.3
217.07025	0.8
223.05966	1.3
241.07071	2.8
242.35002	0.3
277.08536	0.8
295.06058	0.4
295.09055	0.7
295.11868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03948	0.9
55.01873	19.7
57.03438	36.2
58.03775	0.3
59.05005	4.1
61.02927	16.6
66.41383	0.3
67.05505	0.5
69.03430	40.7
69.40098	1.9
70.03787	0.4
71.01358	8.1
71.05000	1.4
73.02918	53.7
74.03256	0.8
75.04461	0.4
77.02422	0.4
79.05494	0.8
81.03414	6.2
81.03857	0.5
81.07053	0.7
83.01359	0.5
83.04985	0.5
85.02905	100.0
86.03226	1.2
87.04470	7.8
91.03950	4.1
91.05495	1.0
93.07061	0.6
95.04984	0.4
97.02895	47.7
97.06536	0.5
98.03238	0.8
99.04454	4.2
99.08089	0.3
101.02389	1.0
103.03947	6.3
103.05441	0.8
105.07016	0.6
107.04956	0.5
107.08614	0.4
109.02882	6.6
111.04427	0.7
115.03932	30.5
116.04294	0.8
119.04974	0.4
120.08094	4.0
121.06539	0.5
121.10201	0.4
123.04449	0.4
125.02386	0.6
127.03917	21.6
131.04976	0.5
133.04967	48.4
134.05310	0.5
135.08105	0.3
136.07632	0.5
137.02365	0.6
138.09160	0.5
139.03886	0.7
145.04959	22.6
145.84821	0.3
146.06056	0.3
150.07771	0.7
151.03902	1.1
157.05013	0.4
161.05946	0.4
163.03947	0.5
163.06032	4.2
163.07394	0.4
165.05649	0.3
165.06929	0.4
169.04968	0.9
177.05458	0.5
179.08551	0.3
181.04921	0.3
193.04996	1.3
199.04285	0.3
199.06032	1.3
203.08514	0.4
205.15617	0.3
211.06010	0.7
217.07013	0.6
221.06087	0.7
223.05937	1.0
241.07095	1.9
249.05469	0.4
252.42688	0.3
259.08047	0.7
263.07184	0.4
277.15482	0.4
295.05991	1.0
295.09164	0.3
295.12943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	19.5
57.03442	33.8
58.03791	0.7
59.05010	4.7
61.02933	13.4
67.05497	0.9
69.03436	41.1
71.01361	9.3
71.04993	2.1
72.76024	0.8
73.02924	48.0
73.75047	0.6
77.02378	0.7
77.52900	0.9
79.05514	2.5
81.03427	6.7
81.07018	1.4
83.04999	1.1
85.02911	100.0
86.03240	1.1
87.04481	7.5
91.03975	3.9
91.05489	5.1
93.07062	1.8
95.04992	1.4
95.08640	0.7
97.02901	45.4
97.06541	0.9
98.03249	0.7
99.04458	4.4
101.02386	1.3
103.03960	7.2
103.05475	18.0
104.05772	0.8
105.07040	9.5
107.04970	3.2
107.08593	1.0
109.02879	6.6
109.06542	0.7
111.04472	1.0
115.03938	28.6
115.05477	1.6
117.07033	2.5
119.04939	0.8
119.08556	0.9
120.05717	0.9
121.06509	7.2
123.04401	0.8
123.08080	1.7
127.03931	20.4
131.04936	19.2
133.04984	40.6
133.06519	29.7
133.07544	1.0
134.06883	1.2
135.08072	15.4
137.05984	6.9
145.04980	19.6
145.06494	9.5
147.08093	2.5
149.06003	1.3
151.03917	2.1
151.07562	9.3
153.06984	0.8
157.06511	3.6
160.05194	0.7
163.06076	3.9
163.07539	44.4
164.07883	1.2
169.04984	0.8
171.08055	0.8
175.07620	2.7
178.07787	0.7
179.08679	0.8
181.04941	0.9
193.04985	1.3
194.02821	1.4
199.06108	1.2
207.08102	1.0
219.08144	0.9
220.08879	2.4
223.05865	1.1
234.06567	0.9
235.07697	1.3
235.11246	2.7
241.07063	2.5
245.09688	1.8
247.07816	0.9
248.08418	1.1
259.08118	1.0
263.10745	5.7
277.08743	1.2
295.03781	0.9
295.09793	3.9
295.13324	11.0
295.16422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03941	2.0
55.01876	19.5
57.03442	33.8
58.03791	0.7
59.05010	4.7
61.02933	13.4
67.05497	0.9
69.03436	41.1
71.01361	9.3
71.04993	2.1
72.76024	0.8
73.02924	48.0
73.75047	0.6
77.02378	0.7
77.52900	0.9
79.05514	2.5
81.03427	6.7
81.07018	1.4
83.04999	1.1
85.02911	100.0
86.03240	1.1
87.04481	7.5
91.03975	3.9
91.05489	5.1
93.07062	1.8
95.04992	1.4
95.08640	0.7
97.02901	45.4
97.06541	0.9
98.03249	0.7
99.04458	4.4
101.02386	1.3
103.03960	7.2
103.05475	18.0
104.05772	0.8
105.07040	9.5
107.04970	3.2
107.08593	1.0
109.02879	6.6
109.06542	0.7
111.04472	1.0
115.03938	28.6
115.05477	1.6
117.07033	2.5
119.04939	0.8
119.08556	0.9
120.05717	0.9
121.06509	7.2
123.04401	0.8
123.08080	1.7
127.03931	20.4
131.04936	19.2
133.04984	40.6
133.06519	29.7
133.07544	1.0
134.06883	1.2
135.08072	15.4
137.05984	6.9
145.04980	19.6
145.06494	9.5
147.08093	2.5
149.06003	1.3
151.03917	2.1
151.07562	9.3
153.06984	0.8
157.06511	3.6
160.05194	0.7
163.06076	3.9
163.07539	44.4
164.07883	1.2
169.04984	0.8
171.08055	0.8
175.07620	2.7
178.07787	0.7
179.08679	0.8
181.04941	0.9
193.04985	1.3
194.02821	1.4
199.06108	1.2
207.08102	1.0
219.08144	0.9
220.08879	2.4
223.05865	1.1
234.06567	0.9
235.07697	1.3
235.11246	2.7
241.07063	2.5
245.09688	1.8
247.07816	0.9
248.08418	1.1
259.08118	1.0
263.10745	5.7
277.08743	1.2
295.03781	0.9
295.09793	3.9
295.13324	11.0
295.16422	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.133
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
51.02381	0.5
53.03947	1.1
55.01871	4.5
57.03439	6.5
59.05006	0.4
59.47123	0.3
59.78054	0.3
61.02931	2.5
65.03937	0.5
67.05499	1.0
67.46313	0.3
68.53676	0.3
68.74135	0.3
69.03429	7.3
69.52379	0.3
70.45719	0.7
70.59967	0.3
71.01357	1.2
71.04987	0.6
73.02919	8.5
77.03941	0.6
78.04718	0.3
79.05492	4.2
81.03399	1.5
81.07051	0.6
83.05004	0.3
85.02905	16.4
86.03232	0.3
87.04468	1.1
88.00636	0.2
91.03967	0.4
91.05482	6.1
93.07051	1.2
94.04191	0.4
95.04951	1.4
95.08604	0.6
97.02892	7.6
97.32490	0.3
99.04430	0.6
102.04706	0.5
103.03986	1.2
103.05468	41.0
104.05788	0.7
105.03430	0.4
105.04523	0.7
105.07030	21.8
107.04955	7.3
108.05755	1.4
108.84811	0.3
109.02863	1.2
109.06508	1.5
111.04447	0.4
115.03939	4.5
115.05431	2.6
117.07024	4.1
119.04964	0.8
119.08585	1.0
120.05753	2.0
121.06503	13.1
122.03667	0.9
122.06839	0.4
123.04449	1.2
123.08076	2.6
127.03917	3.3
128.06203	0.8
129.06995	0.7
131.04927	37.5
132.05658	0.6
133.05028	7.9
133.06490	67.5
134.06743	1.4
135.08052	33.2
136.05211	1.5
136.08385	0.9
137.05978	14.3
141.07011	0.8
143.04915	1.0
143.08524	0.7
144.05707	0.8
145.04970	3.1
145.06490	19.9
146.06810	0.5
147.08052	5.8
149.05989	4.9
151.07542	22.1
152.07896	0.6
153.07010	0.4
155.06033	2.1
157.06502	5.7
159.08092	0.6
160.05202	1.5
162.06831	0.4
163.07536	100.0
164.07935	2.8
165.06976	0.6
169.06465	0.6
171.08055	2.8
172.05130	0.7
173.06009	0.6
175.07552	5.2
178.07794	0.5
179.08604	0.5
182.07153	0.4
187.07526	2.6
188.08336	0.7
189.09094	0.6
191.08598	0.4
192.09357	0.6
194.07309	1.1
195.08031	0.7
201.09081	0.5
202.07745	1.9
203.08470	0.5
205.06584	0.3
207.08054	1.8
207.11652	0.8
209.09561	0.6
217.10130	1.6
218.07292	0.5
219.08055	1.3
220.08852	2.9
221.05995	1.2
221.09488	0.9
226.07800	0.3
231.08069	0.9
233.09572	0.7
234.06851	0.3
235.07587	0.8
235.11179	5.7
236.11452	0.4
237.09065	0.6
241.06932	0.4
245.09631	3.3
247.07504	1.2
248.08308	1.9
249.05492	1.0
249.08980	0.5
252.07762	0.4
253.08653	0.5
263.10669	9.8
264.11093	1.0
265.08646	0.6
265.12192	0.3
267.13690	0.4
277.11990	0.4
280.10889	1.1
295.06079	1.3
295.09985	1.0
295.13257	24.6
296.13623	1.2
308.88809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.133
Annotation	CHEBI:70702
Peak:m/z	Relative Intensity
51.02371	0.6
53.03950	1.1
55.01873	2.5
55.05495	0.4
57.03436	2.8
61.02921	0.9
62.39331	0.3
65.03951	0.4
67.05499	1.3
69.03433	3.1
70.50706	0.3
71.04993	0.5
71.31596	0.4
73.02911	2.5
75.97677	0.3
77.03937	0.5
79.05495	5.4
81.03419	1.1
81.07059	1.1
85.02905	6.6
85.03423	0.3
86.66809	0.3
87.04501	0.3
91.05480	7.9
93.07050	1.8
94.04180	0.5
95.04955	1.5
95.08604	1.2
97.02905	3.0
99.04470	0.5
103.05470	43.7
104.05766	0.8
105.04531	0.7
105.07032	20.6
106.07362	0.4
107.04961	7.8
107.08590	0.3
108.05741	1.1
109.02888	0.7
109.06512	2.0
111.04431	0.3
115.03951	1.6
115.05456	2.9
117.07019	3.6
119.04928	2.0
119.08582	1.2
120.05721	1.3
121.05628	0.7
121.06509	15.3
121.25869	0.3
122.03658	0.6
123.04401	0.7
123.08071	3.4
127.03933	1.0
128.06213	0.9
129.07014	0.8
131.04930	39.7
132.05620	0.6
133.05078	2.2
133.06493	70.7
134.06841	1.1
135.08052	34.2
136.05191	1.1
136.08376	1.0
137.05981	15.1
138.06317	0.6
141.07022	0.6
143.04936	0.9
143.08618	0.5
144.05679	1.1
145.05051	0.7
145.06485	22.3
146.06834	0.7
147.08055	7.1
149.05983	5.1
151.03912	0.5
151.07541	23.3
152.07883	0.6
155.06032	2.3
157.06482	6.0
158.07263	0.5
159.08018	0.6
160.05194	1.3
162.06805	0.6
163.07541	100.0
164.07849	3.0
165.06979	0.6
169.06456	0.4
171.08055	2.5
172.05183	0.5
173.05986	0.7
173.09627	0.4
175.07547	5.6
178.07739	0.5
179.08603	0.6
181.06348	0.4
187.07536	2.2
188.08290	0.9
189.09074	0.5
191.08650	0.5
192.09296	0.5
194.07257	0.9
195.08011	0.5
201.09154	0.5
202.07732	2.0
205.06465	0.7
206.07347	0.6
207.08107	1.7
207.11668	0.7
217.10165	1.5
219.08063	1.6
220.08830	3.8
221.09488	0.9
231.08041	0.6
232.08727	0.3
233.09465	0.5
234.06720	0.6
235.07509	1.1
235.11195	5.0
236.11592	0.4
245.09624	3.1
246.10077	0.4
247.07516	0.7
248.08362	2.0
249.09090	1.0
252.07660	0.4
253.08612	0.5
262.10229	0.3
263.10687	9.2
264.11285	1.0
265.08557	0.6
266.09344	0.4
267.10168	0.6
267.13705	0.5
276.41193	0.3
280.07043	0.4
280.10800	0.9
295.09796	1.7
295.13260	23.8
296.10431	0.4
296.13647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01867	4.2
57.03438	7.6
59.05019	1.1
61.02923	10.2
67.05483	1.9
69.03431	20.4
69.07071	10.7
69.36128	4.0
69.36537	1.9
70.02936	1.2
70.06583	0.9
71.01332	1.6
71.04982	3.5
71.10396	0.9
73.02916	8.5
79.05484	2.2
79.80938	1.2
81.03431	9.3
81.07053	2.8
84.04043	1.6
84.04504	21.8
84.08142	4.4
85.02905	100.0
85.17245	0.9
86.03267	1.2
86.09708	7.4
87.04462	2.4
87.08109	14.2
88.03998	1.4
91.03942	5.6
91.05475	10.0
93.07057	2.5
94.04076	1.4
94.06562	3.1
95.05011	1.3
95.08595	1.5
95.88183	1.2
97.02888	25.4
97.06482	1.7
99.04455	4.0
99.08116	0.9
102.05562	1.9
103.05457	5.5
105.07021	2.0
105.09134	1.2
107.04934	3.4
109.02897	7.9
111.05571	1.6
113.43962	1.0
115.03941	2.2
115.05358	0.9
117.05591	1.1
118.06542	1.4
119.04942	4.4
119.12322	1.1
120.08105	76.4
121.06478	1.5
121.08430	2.1
127.03926	19.5
129.10211	3.1
130.05013	3.4
131.04919	4.0
133.04994	2.8
133.06549	1.5
133.07596	1.6
133.08614	1.5
134.05946	0.9
135.04398	1.7
136.07565	18.3
137.06013	1.2
139.00182	1.0
139.07513	1.2
145.04958	23.3
146.06042	6.8
147.04420	7.2
149.05957	2.1
150.07753	49.3
151.03915	1.3
151.07581	1.3
158.06044	1.1
161.05992	2.3
163.03906	2.6
163.06044	2.7
166.08640	23.8
173.06160	1.2
174.05455	2.6
175.07465	2.1
177.05487	3.8
181.04956	3.7
186.09158	5.0
189.05420	1.7
209.71709	1.0
221.05972	2.8
221.11629	1.3
232.09671	2.8
235.07558	2.1
249.05400	1.2
249.15721	1.3
263.07263	1.3
278.10150	2.8
295.05975	3.7
295.12805	3.1
295.16537	2.8
296.16095	1.2
314.81500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01884	4.7
55.43262	0.7
56.96543	0.7
57.03443	9.6
59.05006	0.8
59.47056	0.7
61.02935	9.8
69.03433	16.2
69.07077	6.7
71.01361	1.6
71.04990	2.3
73.02919	10.8
81.03432	5.8
84.04511	5.8
84.08134	3.2
84.08583	0.8
85.02911	77.4
86.03237	1.0
86.09692	2.4
87.04465	2.5
87.08107	10.1
91.03945	4.0
91.05492	4.0
92.28969	0.7
93.07080	0.9
94.04066	2.5
95.04974	1.4
96.18457	0.8
97.02905	21.6
99.04469	3.4
103.03941	1.7
103.05463	3.1
107.04950	1.3
109.02874	6.9
115.03915	4.7
119.04952	2.2
120.08115	34.9
121.08419	1.3
123.04352	1.1
123.06632	1.9
127.03921	13.4
127.60628	0.7
129.10210	1.0
130.05054	1.1
131.04945	1.5
131.95738	0.8
133.04982	7.8
136.07579	7.7
145.04968	15.7
147.04404	1.9
148.06085	2.2
150.07758	100.0
151.03871	1.4
151.08081	0.9
158.27892	0.7
163.03949	1.4
163.06023	2.6
163.07364	0.7
166.08649	5.3
178.07866	1.0
186.09108	1.1
221.05942	2.3
232.09647	0.9
249.05501	1.0
278.10110	0.7
295.06003	2.6
295.09235	1.6
295.12442	1.7
296.07578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01871	10.8
57.03437	20.2
59.04990	1.8
61.02930	12.7
61.09740	0.5
68.60181	0.5
69.03429	28.6
69.07068	6.4
70.50848	0.9
70.51186	0.5
71.01355	4.4
71.04996	2.2
73.02920	27.5
79.05466	0.6
81.03422	7.2
83.01347	0.7
84.08149	0.9
85.02905	100.0
86.03240	1.9
86.09700	2.2
87.04466	4.9
87.08102	6.5
91.03963	4.0
91.05479	13.0
93.07014	0.6
94.77608	0.5
95.05025	0.7
97.02895	37.5
98.03280	0.7
98.23345	0.6
99.04463	3.9
101.02374	0.9
103.03948	3.9
107.04968	0.9
109.02888	9.2
115.03936	13.6
117.07003	0.5
118.06639	0.5
119.04941	9.2
120.08112	1.8
121.06511	1.4
123.04446	0.7
127.03916	20.0
131.04918	0.7
132.10251	0.7
133.04970	24.4
133.08604	0.6
136.07579	46.7
137.07916	0.8
145.04961	20.8
146.05301	0.7
147.04437	1.9
150.07748	3.0
151.03891	1.2
163.06017	4.3
175.07449	0.5
175.60651	0.5
221.05980	0.5
223.06018	0.7
236.12874	0.5
241.07047	0.9
256.01859	0.6
295.09659	1.3
295.16306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
53.03940	0.4
55.01875	1.9
55.05507	0.4
55.60234	0.3
57.03440	2.3
59.05001	0.2
61.02935	2.0
63.33016	0.2
63.90932	0.2
65.03938	0.8
67.05509	0.7
69.03082	0.4
69.03432	5.0
69.07066	2.4
71.01353	0.5
71.04999	0.5
71.30611	0.3
73.02921	3.8
74.02445	0.9
79.05492	0.6
81.03422	2.1
81.07079	0.6
83.01357	0.3
83.05022	0.3
84.08173	0.4
84.74385	0.2
85.02908	15.5
86.09711	5.5
87.04461	0.7
87.08125	0.6
88.04005	0.6
91.05483	27.3
92.05806	0.7
93.07047	0.7
94.04099	0.2
94.06578	0.8
95.04951	0.6
95.08585	0.6
97.02897	5.5
99.04436	0.6
103.03944	0.3
103.05474	0.5
104.13967	0.3
105.07033	0.8
107.04957	1.4
109.02904	1.5
109.06498	0.6
111.04451	0.7
113.02325	0.3
115.03931	1.5
115.05479	0.5
117.07000	0.6
117.09121	0.4
118.06552	0.9
119.04948	17.7
119.08607	0.4
120.04519	0.4
120.05254	0.4
120.08108	1.0
121.06506	3.2
121.08410	0.3
123.04482	0.3
127.03924	3.2
128.06236	0.5
129.07050	0.6
130.08667	0.7
131.04939	0.8
131.08629	0.3
132.10210	1.9
133.04976	1.7
133.06464	0.4
133.10175	0.4
135.04474	1.5
135.05348	0.3
136.07579	100.0
137.06023	1.2
137.07901	2.3
139.03899	1.0
141.07002	0.5
143.04976	0.6
143.08568	0.5
145.02831	0.3
145.04962	3.0
145.06470	0.5
146.06055	1.5
147.04396	2.4
148.04860	0.5
149.05998	0.7
150.07755	6.5
151.03914	6.2
151.05051	0.4
151.07526	0.7
153.66914	0.2
157.06479	0.6
159.04509	0.4
159.07968	0.3
161.05978	2.1
163.03912	3.8
163.06062	0.6
166.08672	0.3
169.06465	0.3
171.07979	0.4
173.06003	0.7
174.05478	0.4
175.03978	0.3
175.07515	0.5
177.05467	1.2
181.04893	0.8
181.08698	0.4
185.05962	1.2
187.03880	0.5
187.07611	0.3
189.05385	1.2
189.09114	0.4
191.03340	0.3
191.07079	0.3
193.04993	0.3
201.05507	0.5
203.07014	0.4
205.04904	0.5
205.08653	0.5
207.06662	0.3
213.05496	1.6
217.04964	0.9
221.05856	0.4
231.06546	2.6
249.05391	0.5
249.15977	1.1
250.14394	0.5
259.05975	1.2
259.09818	0.4
277.07257	0.5
277.10602	0.3
277.15228	0.4
278.13907	0.8
291.00299	0.3
295.05618	0.4
295.08652	0.5
295.11774	0.5
295.16519	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	295.1907
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01873	9.3
55.05525	16.1
57.07070	5.0
62.45795	2.0
67.05511	25.1
69.07074	11.5
70.46347	2.6
70.46655	3.4
71.08629	10.4
79.05493	20.7
80.05833	2.5
81.07063	51.6
83.04987	5.7
83.08616	9.9
85.06542	3.8
91.05482	6.3
93.07043	16.4
94.25125	2.3
95.04933	3.0
95.08607	15.4
97.06499	3.9
97.10177	7.3
99.08102	8.8
105.07033	12.2
107.08578	10.8
109.06514	16.3
109.10162	10.4
111.04459	13.9
111.08100	4.3
119.08578	9.5
121.10130	5.3
123.08080	3.8
123.11783	3.3
124.03979	4.7
125.04741	5.6
125.05972	4.4
125.09606	4.7
131.08563	4.1
132.47977	2.3
133.06493	8.2
133.10132	7.4
135.08044	9.8
135.11722	6.9
137.05984	100.0
137.09552	3.1
137.13301	3.1
138.05389	4.3
138.06383	3.3
139.11147	3.7
142.04990	3.9
145.10136	5.9
147.08038	3.3
147.11728	7.4
151.07520	5.2
151.11206	3.6
161.09659	5.8
161.13245	3.7
163.11208	4.3
165.03682	3.2
175.11220	2.4
175.14941	3.5
177.93877	2.3
179.05174	2.5
194.70590	2.7
203.17978	6.1
231.17461	11.6
249.18495	13.0
277.17993	37.0
277.21576	17.1
278.18430	3.8
278.21140	25.8
295.19345	4.4
295.22678	22.0
296.22424	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	10.0
55.01873	30.1
55.05515	61.6
55.72652	3.2
57.07070	11.4
59.05019	4.4
59.84275	3.1
65.03960	4.8
67.05507	83.4
69.03429	9.3
69.07071	48.5
69.61105	12.2
69.61509	7.1
71.04993	8.1
71.08630	15.0
73.06554	5.3
79.05495	61.9
80.05843	3.9
81.03418	13.6
81.07060	100.0
83.05001	18.2
83.08611	26.7
85.02901	4.2
85.06551	5.1
85.10189	4.6
91.05479	38.7
93.07045	70.7
94.07401	3.4
95.04980	19.1
95.08050	6.8
95.08613	87.9
96.05301	3.2
97.06544	19.0
97.10169	24.3
99.08090	9.8
105.07032	40.8
107.08599	37.7
109.06522	13.5
109.10158	44.0
111.08081	10.1
117.07016	8.0
119.08585	29.5
121.06504	3.3
121.10143	32.2
123.08066	40.1
123.11700	6.0
124.51711	3.2
124.94682	4.1
125.09618	14.4
131.08545	7.1
133.06450	6.5
133.10127	16.8
135.08066	16.0
135.11696	22.5
137.09602	36.9
139.11163	16.4
143.08615	4.6
145.04504	3.5
145.10104	9.3
147.08034	7.2
147.11647	16.0
149.13275	11.8
151.07545	6.0
151.11212	18.7
153.12717	7.2
157.10100	6.6
159.11696	6.5
161.13237	7.0
163.11205	5.3
165.03792	7.2
165.09096	6.4
165.12773	11.0
167.14278	5.2
173.13225	7.5
175.11263	3.8
175.14790	8.5
179.14355	7.0
181.12302	9.4
182.99368	5.6
185.13202	5.2
189.11247	7.4
189.12749	4.2
191.05301	3.4
221.15485	6.3
231.20943	6.1
241.19496	6.1
249.22165	17.9
259.20544	10.8
277.21664	71.7
295.22705	87.2
307.77948	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.47092	1.7
52.10997	2.3
53.03944	4.6
55.01876	100.0
55.05514	48.2
56.96588	2.4
57.03447	3.2
57.07076	10.3
67.05173	4.1
67.05510	49.3
67.05872	2.6
68.05824	2.2
69.03437	2.5
69.07072	20.3
70.63021	2.2
71.05001	5.3
71.08636	16.4
75.19816	2.2
79.05503	33.6
81.03404	10.7
81.07059	52.4
83.04985	19.6
83.08616	25.6
85.06549	5.0
85.10189	11.5
91.04909	2.6
91.05483	43.6
93.07050	33.6
95.04971	18.0
95.08612	32.8
97.06549	20.8
97.10176	7.6
98.06093	2.7
99.08097	10.8
105.07030	28.6
107.04970	4.2
107.08611	21.0
109.06520	7.9
109.10171	12.4
111.08088	85.9
113.09660	12.6
117.07047	4.1
119.08584	16.1
121.10153	16.3
123.08071	4.2
123.11684	5.2
125.04733	7.2
125.09638	4.5
126.06517	2.4
129.07030	4.5
131.08617	7.4
133.10143	29.0
135.11723	9.5
137.09654	3.7
139.11197	6.4
143.08601	3.4
145.10106	3.4
147.11691	16.3
149.09605	11.7
149.13284	9.2
151.11197	22.1
157.10207	4.2
159.11626	3.8
161.13274	8.3
163.11174	7.0
163.14835	2.8
165.12756	23.9
167.14256	2.8
171.11711	3.2
175.11147	3.5
179.14311	8.2
231.21074	2.8
241.19473	5.1
249.22205	6.8
259.20609	11.7
277.21674	66.9
278.21201	23.8
295.22696	45.8
296.22733	2.8
302.03531	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	Colneleate
Peak:m/z	Relative Intensity
53.03930	5.9
55.01876	11.1
55.05516	51.5
57.03446	11.1
57.07084	10.9
59.04982	3.1
65.03939	2.9
67.05511	81.6
68.05825	2.3
69.03423	7.7
69.07072	45.3
71.04992	9.3
71.08636	4.7
79.05499	55.4
80.05821	2.6
81.03408	7.3
81.07062	100.0
83.04985	29.9
83.08628	25.3
85.06540	3.7
85.10172	3.3
91.05486	34.7
93.07051	62.1
95.04972	22.9
95.08614	55.6
96.08941	1.8
97.06538	17.0
97.10177	15.5
99.08088	4.9
101.06047	2.0
105.07037	33.0
107.08607	29.2
109.06512	9.8
109.10153	22.8
111.08076	8.7
111.11712	2.0
113.09657	3.2
117.07034	6.1
119.08585	20.4
121.06502	2.3
121.10157	24.7
123.08088	7.2
123.11714	10.1
125.09644	7.7
129.06976	5.2
131.08586	9.5
133.06493	2.3
133.10132	16.6
135.08044	2.9
135.11699	12.7
137.09647	8.3
137.13251	4.5
139.11176	22.8
143.08537	2.9
145.10120	3.3
147.08090	2.9
147.11705	13.3
149.09671	2.8
149.13246	5.5
151.11153	5.8
153.09042	2.3
153.12766	5.3
155.10690	2.7
157.10129	4.6
158.51508	1.6
159.11642	3.5
159.91106	1.8
161.09608	3.3
161.13274	8.7
163.11201	2.3
163.14824	3.4
165.12775	10.3
167.14290	2.5
171.11678	6.2
173.13336	2.3
175.11150	3.1
175.14844	5.7
177.12737	2.4
177.16461	2.0
179.14305	3.1
181.12016	1.7
185.13293	3.5
189.12718	2.2
193.12228	3.0
207.13866	4.2
221.15285	2.7
225.14690	1.9
231.21007	3.3
241.19547	3.5
249.22072	4.5
259.20569	5.4
277.21652	53.3
278.21848	2.0
295.22702	67.4
296.22937	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	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	6.1
55.01877	17.1
55.05513	66.9
57.03429	7.8
57.07085	15.2
57.12121	2.7
59.05007	4.1
65.03925	4.3
67.05508	100.0
67.72291	2.7
68.05844	3.6
69.03427	7.2
69.06730	3.9
69.07072	55.5
69.14482	10.1
69.14906	9.3
71.05003	12.0
71.08628	11.1
73.75809	2.5
76.81100	2.6
79.05495	80.5
81.03411	10.3
81.07060	98.7
82.07404	4.1
83.04982	42.3
83.08627	31.4
85.06545	8.7
91.05475	43.2
92.05827	2.9
92.27010	2.4
93.07049	91.6
93.37942	2.6
95.04973	34.4
95.08607	74.2
97.06544	27.0
97.10165	19.2
99.08086	8.8
105.07036	49.7
107.08597	42.1
109.06538	14.0
109.10155	25.6
111.08084	10.4
117.07027	6.2
119.08575	34.2
121.10137	33.8
123.08070	8.4
123.11703	12.4
125.09637	9.8
129.06990	6.3
131.08611	9.5
133.06570	6.6
133.10129	20.4
135.08066	10.9
135.11713	15.8
137.09596	8.0
137.13293	4.5
139.11186	27.7
143.08542	8.9
145.10129	9.2
147.08096	4.1
147.11687	20.0
149.09569	4.4
149.13260	11.3
151.07559	4.4
151.11185	7.1
153.12730	5.3
157.10129	8.9
159.11684	6.4
161.09506	4.1
161.13249	16.0
163.14861	4.6
165.03717	4.5
165.12796	12.4
171.11717	7.4
173.13199	5.4
175.11195	6.2
175.14870	7.5
177.12695	3.4
177.16301	4.0
179.08517	2.5
179.14319	5.2
185.13245	4.5
187.14900	2.8
193.12221	5.4
205.16129	2.4
207.13809	4.7
217.19597	4.5
221.15274	5.1
231.21077	6.5
241.19505	5.0
249.22072	6.5
259.20602	10.5
276.60513	2.5
277.16058	3.5
277.18707	4.7
277.21652	73.7
278.21826	4.7
295.17142	6.1
295.22714	93.5
296.10953	2.3
296.23111	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03950	29.7
55.01879	13.6
55.05514	42.8
57.03433	2.6
57.07077	15.0
59.04996	2.5
65.03939	2.4
67.05508	91.3
69.03436	3.3
69.07070	66.1
70.85265	2.1
71.05013	4.2
71.08617	9.8
75.18855	2.1
79.05494	68.4
81.03422	100.0
81.07058	75.4
83.04986	23.9
83.08612	16.7
85.06567	4.2
85.10191	6.6
91.05481	38.9
93.07049	52.8
93.07629	3.7
95.04969	59.6
95.08611	36.9
97.06527	6.3
97.10175	9.8
98.23378	8.4
99.08097	7.3
100.59680	2.1
103.05463	7.2
105.04467	2.5
105.07030	67.2
106.07841	3.3
107.05001	3.7
107.08594	38.0
109.06508	11.5
109.10149	24.3
111.08092	5.1
117.07005	5.9
119.08580	18.9
121.06525	2.7
121.10155	16.8
123.08072	6.8
123.11725	11.7
125.09644	8.3
129.07010	4.7
131.08568	5.7
133.06499	20.2
133.10112	24.0
134.07271	9.2
135.08055	54.0
135.10812	2.2
135.11684	12.9
137.09590	3.5
137.13263	3.9
143.08665	4.5
145.10138	5.1
147.08087	3.6
147.11679	14.1
149.09639	2.6
149.13211	9.9
151.07521	9.8
151.11176	67.3
153.09099	4.9
157.10109	3.8
159.11716	3.9
161.09631	4.0
161.13283	18.5
163.14874	5.3
165.03677	22.1
165.12750	15.7
167.05319	5.4
167.08455	2.0
171.10226	4.4
171.11702	7.4
173.13306	4.2
173.68269	2.1
175.11171	2.1
175.14897	4.5
177.12740	3.7
177.16246	2.1
179.05296	4.3
179.10776	2.1
179.14330	6.5
185.13202	2.3
189.12769	3.2
193.12279	3.2
199.14722	2.8
207.13921	4.4
215.17938	3.1
231.21072	11.9
232.21129	2.3
241.19565	7.8
249.22203	7.1
251.11703	2.2
259.20630	8.9
277.16302	10.5
277.21634	92.3
278.21588	8.0
295.17178	9.0
295.20319	3.8
295.23383	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	295.227
Annotation	Colneleate
Peak:m/z	Relative Intensity
50.46520	1.5
51.57359	1.6
52.54494	1.6
53.03942	6.6
55.01863	6.6
55.05514	55.4
57.03445	16.0
57.07076	12.9
59.05012	1.9
60.58685	1.7
65.03956	2.9
67.05508	90.7
68.05840	2.2
69.03432	8.8
69.07069	45.2
69.79445	5.2
69.79839	3.4
71.04998	10.4
71.05317	1.7
71.08629	12.6
79.05495	56.0
81.03423	8.9
81.07058	100.0
83.04984	21.2
83.08625	27.8
85.06532	6.7
85.10204	2.9
88.94260	1.7
91.05487	38.1
93.07049	54.9
94.07412	2.4
95.04980	18.0
95.08606	49.6
97.06532	14.3
97.10174	17.7
99.08089	6.5
105.07037	27.6
107.04969	2.2
107.08598	30.0
109.06529	11.8
109.10165	26.0
111.08072	11.5
113.09662	2.2
113.22519	1.8
117.07012	5.1
119.08586	19.9
121.06474	3.7
121.10154	19.9
123.08060	6.1
123.11686	12.1
125.09636	13.9
129.06992	3.1
131.08571	7.5
133.10123	16.8
135.08055	5.9
135.11707	13.0
137.09604	6.1
137.13281	2.6
139.11156	7.2
143.08577	4.6
145.10152	6.0
147.08035	2.8
147.11694	15.2
149.09541	1.8
149.13258	7.0
151.11169	6.5
153.09142	2.1
153.12766	8.0
155.10645	7.0
157.10150	6.3
159.11639	2.3
161.09570	2.0
161.13225	11.7
163.11182	4.4
163.14885	2.7
165.12772	7.1
167.14374	3.3
171.11656	4.0
173.13257	2.2
175.11241	4.2
175.14880	3.9
177.12730	2.2
179.14297	5.4
185.13351	2.0
189.11186	2.6
189.12737	2.4
189.16409	2.3
193.12215	5.5
193.15826	1.7
199.14865	1.9
207.13809	2.4
221.15500	2.8
231.21101	2.7
241.19527	5.1
249.22112	2.2
259.20450	5.1
272.35672	1.8
277.21609	40.9
278.21881	4.2
295.22699	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	9.4
55.01881	61.7
55.05516	67.2
55.05762	5.0
57.03450	6.0
57.07080	10.5
59.67399	3.3
65.03951	4.5
67.05511	100.0
69.03438	5.9
69.07071	41.1
70.55711	3.2
70.56038	6.2
70.84968	2.6
71.05005	9.0
71.08633	37.3
72.65943	2.8
77.20697	3.0
79.05501	53.3
81.03429	22.5
81.07060	84.6
82.07362	2.8
83.04976	21.2
83.08633	42.6
85.06565	11.1
85.10198	8.1
91.05490	53.8
93.07057	66.5
95.04986	26.2
95.08613	56.6
97.06535	23.8
97.10175	17.9
99.08098	32.0
105.07035	42.7
107.04951	6.7
107.08602	40.4
109.06524	13.6
109.10159	24.0
111.08084	59.2
111.11748	2.9
113.09675	9.6
117.07026	7.0
119.08601	22.8
121.06524	3.2
121.10149	30.8
123.08075	11.3
123.11724	11.9
125.09644	15.5
127.11262	3.5
129.07018	9.1
131.08577	10.7
133.10136	31.7
135.11699	20.9
137.09683	10.3
139.11209	10.6
141.12756	4.1
143.08557	4.5
145.10190	7.9
147.08189	2.8
147.11705	21.9
149.09659	8.8
149.13275	21.0
151.11201	34.4
153.12805	6.0
153.99269	3.2
157.10152	8.1
159.11717	3.8
161.13258	16.7
161.67456	3.0
163.11214	16.0
163.14815	4.2
165.12776	27.6
167.63231	3.0
171.11768	5.1
173.13309	3.5
175.11348	4.9
175.14822	5.8
179.14256	16.6
185.13290	6.8
189.11255	6.9
189.12828	3.3
193.12302	3.0
199.14877	3.5
207.13782	4.8
217.19423	3.4
221.15297	5.3
226.70750	3.0
230.29041	2.9
231.21082	6.6
235.16983	4.4
241.19537	10.4
248.88995	2.7
249.22188	7.6
259.20670	10.5
277.21655	98.1
278.22180	3.8
295.22699	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.05674	0.7
53.03948	3.6
55.01881	3.6
55.05514	10.7
57.03438	1.5
57.07080	13.0
58.99583	2.5
59.05003	0.8
65.03933	1.8
67.05511	21.3
69.07072	25.9
69.28786	4.2
71.04998	1.4
71.08233	1.0
71.08633	19.5
77.03922	1.4
78.04716	1.1
79.05494	38.5
81.03422	2.0
81.07058	23.6
83.04988	5.3
83.08630	10.4
85.06535	1.7
85.10148	0.8
87.02695	5.7
91.04966	1.4
91.05486	19.1
93.07050	23.4
95.04977	5.2
95.08607	17.3
97.01122	1.5
97.06544	4.3
97.10156	4.0
98.22559	1.3
99.08103	9.0
100.77190	0.7
101.04218	0.8
103.05477	11.1
105.07035	83.5
106.07200	1.0
106.07869	8.7
107.04938	1.8
107.08604	18.2
109.06530	2.1
109.10162	9.5
111.08082	2.1
111.11723	2.2
113.09631	1.2
117.07060	1.2
119.08595	4.7
121.06480	2.4
121.10146	14.1
123.08089	1.5
123.11680	1.9
125.09607	0.9
131.08559	1.5
133.06496	44.3
133.10144	3.5
134.07295	29.5
135.08057	100.0
135.11688	15.2
136.08394	3.5
137.04205	4.1
137.09636	2.1
137.13235	1.2
141.09081	1.1
143.08937	4.1
145.10126	2.3
147.08040	0.9
147.11722	2.3
149.09526	0.8
149.13292	4.7
151.07547	20.2
151.11147	5.7
151.14891	0.9
153.12717	1.4
155.93498	0.8
157.10120	1.2
159.08017	1.1
159.11664	1.7
161.09688	1.6
161.13260	3.3
163.11166	2.9
163.14838	1.7
165.03712	48.2
165.12747	0.8
166.04099	2.0
167.05269	11.9
167.10666	1.1
167.14316	2.1
171.11723	1.7
173.09637	1.2
175.14848	1.7
177.16647	0.8
179.05257	13.7
179.14313	27.3
180.14589	0.8
183.04761	1.0
189.11270	1.2
189.12943	1.0
193.15811	0.7
195.13957	0.9
203.14407	0.9
205.21129	0.7
214.92691	0.8
217.15858	0.8
221.15485	1.5
233.22636	4.2
235.16934	0.8
243.21120	1.3
259.20670	1.4
261.22330	1.7
277.16248	21.0
277.21606	11.8
278.16388	1.9
279.23273	2.2
295.17322	13.2
295.20306	1.4
295.23111	1.3
296.17618	0.9
296.25958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.38201	2.6
53.03937	9.7
54.31018	3.2
55.01873	73.2
55.05513	60.9
57.03445	6.7
57.07060	8.4
57.77127	2.5
65.03948	3.1
67.05179	5.2
67.05508	75.6
69.03449	7.0
69.07070	41.5
71.04984	10.8
71.08632	26.0
73.25456	2.6
79.05492	53.7
81.03435	18.8
81.07054	76.0
83.04976	23.4
83.08619	34.1
85.02912	4.3
85.06534	11.1
85.10186	13.1
91.05484	43.1
93.07043	63.2
95.04972	23.3
95.08614	55.0
95.85342	2.7
97.06529	34.0
97.10164	14.0
99.08096	25.2
105.07020	40.5
107.04954	7.1
107.08595	38.7
109.06533	14.4
109.10144	27.4
111.08081	69.5
112.26900	3.2
113.09641	18.3
115.79192	2.6
119.08578	25.6
119.89144	2.6
121.10144	25.8
123.08067	10.2
123.11674	11.4
125.09650	11.0
128.90576	2.8
129.07013	7.8
131.08565	10.2
133.10141	32.9
135.11697	19.3
137.13240	4.1
139.11211	12.0
141.06989	2.8
143.08551	3.8
145.10127	7.6
147.08058	6.5
147.11678	28.6
149.09608	11.1
149.13249	15.5
151.11194	19.9
157.10161	6.5
159.11720	5.3
161.13307	14.0
163.11211	12.6
163.14804	7.9
164.65387	3.1
165.12741	39.4
167.14336	3.8
171.11690	5.8
173.13269	4.8
175.11226	3.9
175.14835	6.9
179.14349	9.0
185.13289	5.8
191.14384	3.6
199.14839	5.2
207.08186	3.5
221.15388	4.7
231.21034	6.1
241.19670	9.2
249.22101	3.6
257.94803	2.8
259.20505	19.5
263.06760	3.1
267.10165	4.0
267.24719	3.2
277.18591	6.5
277.21628	100.0
295.09698	8.9
295.17114	3.5
295.19919	4.9
295.22702	57.4
296.22980	3.5
315.37912	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	296.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01866	7.5
55.05505	3.7
57.03434	15.4
61.02922	10.1
69.03432	18.4
69.54871	18.0
71.04985	6.3
73.02910	5.2
73.67947	3.1
79.05486	12.6
81.03415	7.3
81.07062	69.0
85.02909	100.0
87.04416	3.8
90.04243	3.6
91.03954	6.5
97.02890	27.8
98.23312	4.3
99.04442	4.6
99.08096	10.2
102.20481	3.0
103.03983	3.9
109.02883	6.4
120.08112	6.9
127.03928	30.2
135.04424	5.6
136.04726	7.6
136.83984	3.0
145.04973	47.0
148.04657	3.2
163.03937	22.5
163.05974	15.6
164.04208	29.7
183.07458	7.5
193.04980	10.1
194.05324	11.3
197.09016	5.7
218.05330	4.8
238.33067	3.8
243.12270	5.0
250.14320	7.6
296.08524	6.4
296.15729	26.1
296.18665	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	297.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57981	1.7
53.03936	2.5
55.01877	5.0
56.96574	4.3
57.03427	2.8
58.79797	1.7
61.02936	8.4
67.05501	4.4
68.99816	1.8
69.03424	4.1
70.06595	3.8
71.01343	1.9
71.30727	2.5
72.08187	2.1
73.17359	1.6
79.05499	4.8
79.54339	1.7
81.03432	4.5
81.07069	2.0
84.04512	2.2
84.08154	2.2
85.02902	6.3
86.09716	2.0
91.05477	13.1
93.07066	4.3
94.04161	1.8
95.04948	8.1
95.08607	2.2
97.02926	12.3
98.97592	7.9
103.03956	10.4
103.05469	10.8
105.03387	2.1
107.04953	12.1
109.02889	2.3
112.03688	2.1
115.05421	4.1
116.98623	7.2
117.07082	3.0
119.04920	10.7
120.08124	4.1
121.06529	13.6
122.03677	3.4
123.04440	35.4
125.06009	2.3
131.04955	5.5
133.06512	2.2
134.99670	4.2
135.04451	4.3
136.06212	2.1
137.05983	5.1
140.04732	9.2
145.06517	4.9
146.03641	18.7
147.04425	25.6
148.08623	2.0
149.05960	8.6
151.03885	2.6
151.07562	3.7
152.96985	2.9
153.05504	3.0
159.04404	1.9
161.05971	2.9
161.95033	2.0
162.44113	2.0
163.03943	9.8
164.04753	8.7
166.09778	2.4
167.07011	3.1
168.04196	5.1
173.06000	5.0
174.03217	4.5
175.03935	4.2
176.96915	3.6
177.05481	23.4
178.09810	1.9
179.03467	2.9
179.07115	3.1
180.04250	4.8
181.04990	2.3
181.08649	3.8
183.06538	100.0
184.06897	2.7
188.96925	2.4
189.05481	2.8
190.06201	2.6
191.06995	3.9
192.04208	19.3
193.04887	3.0
193.10826	7.3
194.05821	2.7
195.06546	6.6
200.04758	3.3
201.05501	4.8
203.03513	3.2
205.04953	11.7
206.98033	3.1
207.02937	7.2
207.06544	76.2
208.06976	3.1
209.04515	4.7
209.08121	7.7
217.05034	2.8
218.05798	3.5
219.06461	2.9
222.05281	17.5
223.05934	3.7
229.04933	4.6
233.08154	10.1
235.06067	10.4
236.98976	2.1
237.07588	14.7
239.11363	11.6
247.06172	5.5
249.07616	7.2
251.09009	2.4
254.11687	2.1
261.07608	17.8
265.07104	6.5
267.00012	2.4
267.08694	4.0
272.95172	1.8
274.97388	5.9
279.08655	19.0
292.98557	5.2
297.09662	14.0
297.16061	6.8
298.18430	2.2
299.06198	4.7
316.11780	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	297.1122
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
50.01602	0.4
50.40178	0.4
53.03944	0.6
55.01867	1.1
65.03940	1.6
66.04706	0.5
67.05516	0.7
70.39725	0.4
71.06013	0.4
75.91894	0.4
79.05482	1.6
81.03449	0.5
81.07037	1.5
89.03904	0.7
91.05486	14.2
92.31900	0.4
93.07085	0.6
94.04200	4.7
95.04966	1.2
103.05466	1.4
105.03418	3.6
107.04955	2.3
109.06515	3.3
115.05448	4.6
117.07030	5.7
119.04948	12.5
121.06519	2.8
122.03653	10.1
123.04452	6.8
127.05448	1.1
129.07033	1.6
131.04947	1.8
133.02849	1.4
134.03647	0.7
135.04398	1.7
137.05983	100.0
138.06322	2.5
144.05788	0.6
145.06483	13.5
146.03737	0.6
147.04416	36.7
148.04803	1.1
149.05992	6.5
150.06743	1.3
151.03973	0.6
151.07602	1.5
152.06204	0.6
153.06982	0.8
155.04916	4.8
155.06068	1.3
161.05968	3.1
163.03903	0.6
165.06992	3.1
166.07806	1.1
167.08531	0.5
172.05185	1.4
173.05994	30.4
174.06476	1.1
176.06232	0.6
177.07053	0.7
179.08597	0.7
180.09319	0.5
181.06467	1.0
181.10106	1.0
187.07558	1.3
189.06975	4.8
190.07782	13.2
190.09448	1.0
191.08562	33.1
192.08963	1.3
193.06631	1.0
194.07356	1.3
195.08138	0.6
201.07043	0.7
202.07828	1.8
203.08553	0.6
205.06482	2.6
207.08142	2.8
208.08812	3.6
209.09595	2.9
211.07561	0.8
218.07263	7.0
219.08058	38.3
220.08607	4.3
221.05988	1.7
222.06737	1.5
223.07532	0.9
223.11168	0.6
229.07663	1.1
231.08055	0.8
233.09572	1.5
235.07555	3.7
236.08353	6.3
237.09114	18.5
238.09499	1.0
239.07072	2.1
241.08733	0.9
246.06638	0.5
247.07552	15.6
248.08313	2.2
249.05295	0.7
249.09204	0.9
250.06308	2.0
251.10687	25.7
252.11058	0.9
253.08566	2.1
254.09404	2.0
261.09097	1.9
263.07114	1.2
264.07825	3.3
265.08618	24.1
266.09280	3.1
267.06519	4.1
269.08118	1.5
269.11746	2.8
279.10144	15.8
280.07712	0.6
280.10529	1.1
281.08026	0.8
282.08890	7.2
295.09601	1.0
297.11227	61.5
298.11624	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
51.02370	1.9
51.14236	1.1
53.03952	2.8
55.09480	1.2
56.05035	7.0
61.01146	4.0
65.03928	2.2
70.42009	2.2
70.42320	1.7
77.03930	3.8
79.05502	3.8
81.07037	2.1
86.14461	1.8
89.03915	10.9
89.61121	1.4
91.05479	24.2
93.07063	1.5
94.04193	4.9
95.04971	4.0
98.23266	1.4
103.05463	25.7
104.05341	8.9
105.03382	9.2
107.04963	6.2
109.06545	4.5
115.05431	4.3
117.03359	7.4
117.07009	4.4
119.04942	29.4
120.08122	1.8
121.06486	6.9
122.03649	9.8
123.04449	11.6
131.04921	20.5
133.02852	90.3
133.06497	7.2
134.03581	5.1
135.04411	15.8
136.06258	1.7
137.05975	100.0
138.06319	2.6
144.05791	1.7
145.06476	15.2
147.04411	76.1
149.05991	32.0
150.06766	17.7
151.03931	3.8
155.04849	2.9
158.49805	1.3
159.04411	4.6
161.06012	3.1
163.89453	1.4
165.05505	22.5
165.06967	3.9
166.07724	1.6
173.05978	24.1
179.08504	1.6
181.06441	1.6
187.07504	2.6
189.07025	4.3
190.07776	10.4
191.08563	26.5
194.07294	2.6
205.06541	2.5
207.08171	2.4
208.08849	2.0
209.09593	2.1
218.07288	8.5
219.08049	38.0
220.08649	4.3
221.05931	1.6
235.07526	4.8
236.08315	6.8
237.09100	14.3
239.07152	2.1
247.07527	19.6
248.08273	2.6
250.06270	1.6
251.07280	1.3
251.07788	1.6
251.10695	21.1
253.08473	1.7
254.09253	2.1
261.09106	3.6
264.07867	3.8
265.08618	18.2
266.09344	4.0
267.06396	1.6
269.08090	2.1
269.11771	2.9
279.10156	20.0
282.09012	4.7
297.11221	51.9
298.11523	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	297.1121
Annotation	4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin
Peak:m/z	Relative Intensity
51.02398	0.4
51.81132	0.5
53.03951	0.9
56.47589	0.4
62.10184	0.4
65.03949	1.0
66.04717	0.7
67.05511	0.7
69.68705	0.5
79.05490	1.6
81.03445	0.5
81.07040	1.7
89.03923	0.9
91.05480	14.3
93.07063	0.5
94.04173	4.0
95.04967	1.9
98.23406	1.6
103.05470	2.1
105.03374	3.5
105.07034	0.8
107.04974	0.9
109.06522	4.3
115.05460	3.9
117.07035	5.7
119.04948	12.1
121.06508	3.0
122.02826	0.9
122.03661	10.2
123.04451	6.8
127.05472	0.7
128.06247	1.0
129.07010	1.4
131.04945	1.7
133.02846	0.6
135.04419	1.2
137.05981	100.0
138.06351	2.1
144.05750	0.6
145.06490	15.5
145.07610	0.8
147.04416	36.8
149.05983	5.8
150.06750	1.1
151.03893	0.7
151.07623	0.9
153.05460	0.6
153.06999	0.5
155.04918	5.0
155.06079	1.1
160.05087	0.5
161.05966	3.7
165.06943	2.8
165.08191	0.4
166.07785	1.0
166.17877	0.4
171.04330	0.6
172.05287	1.1
173.05986	31.3
174.06470	1.1
175.07556	1.1
176.06262	1.0
177.06990	0.5
179.08569	0.9
181.06572	1.0
181.10175	0.7
183.08078	0.6
187.07594	1.4
189.06973	3.9
190.07764	12.9
191.08554	32.3
192.08931	1.3
193.06583	0.7
193.10294	0.5
194.07288	1.5
195.08107	1.0
197.06084	1.2
201.07057	1.0
202.07809	1.3
203.08437	1.1
205.06483	1.9
207.08049	2.6
208.08842	2.8
209.09598	2.0
211.07471	0.7
218.07277	7.8
219.08054	36.0
220.08734	4.4
221.05978	2.1
222.06757	1.1
223.07565	1.0
226.06349	0.8
229.07741	1.1
233.09636	1.4
235.07521	2.6
236.08308	5.7
237.09090	18.9
238.09540	1.4
239.07039	1.7
241.12350	0.5
246.06760	0.5
247.07553	15.2
248.08154	1.7
249.05463	0.6
249.09245	0.7
250.06322	2.5
251.06880	0.9
251.10683	23.3
252.11024	0.6
253.08612	1.1
254.09451	2.2
256.07349	0.6
257.03448	0.5
261.09052	0.9
263.07098	0.6
264.07925	3.1
265.08603	22.6
266.09253	2.8
267.06595	3.5
269.08090	1.8
269.11710	3.5
279.10184	15.8
280.07312	0.5
280.10596	1.1
281.08069	0.8
282.08838	6.4
295.09665	1.4
297.11215	54.9
298.11563	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03953	2.5
55.01870	6.2
55.05513	42.6
57.03442	6.3
57.07079	4.0
62.14544	2.1
67.05506	68.1
69.03439	3.1
69.07071	83.2
70.45632	6.2
71.04989	10.6
71.08624	3.6
73.06584	5.2
79.05496	41.6
81.06583	5.4
81.07060	100.0
82.41328	2.0
83.04981	15.0
83.08607	11.3
85.06548	6.8
91.05492	11.1
91.75290	2.0
93.07045	64.7
95.04952	3.1
95.08607	81.0
97.06551	21.2
97.10165	26.3
99.08141	3.1
104.84872	2.1
105.07048	9.1
107.08598	25.3
109.10151	34.4
111.06770	2.0
111.11748	6.9
119.08575	10.6
121.10139	47.1
123.08112	2.8
123.11697	23.2
125.09663	6.2
131.08600	7.2
133.10126	9.3
135.11685	13.5
137.09636	2.6
137.13284	8.7
139.11180	24.8
145.10150	4.1
147.11684	6.4
149.09572	3.9
149.13292	9.4
151.11179	3.5
151.14824	3.5
153.12843	2.3
159.11681	5.0
161.13268	6.4
163.14944	3.4
173.13304	4.5
182.11169	2.1
187.13286	6.7
187.14854	4.5
189.11281	2.9
191.14336	2.3
203.12820	7.0
209.15318	2.2
227.35057	2.1
233.22716	3.2
239.04179	2.2
243.21028	11.1
261.22171	40.0
274.97681	2.8
279.23199	89.4
280.23703	4.8
297.24347	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	297.2423
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03952	2.9
53.98540	1.6
55.01852	2.3
55.05513	15.5
57.03431	2.9
57.07074	32.1
58.04001	1.6
65.03895	1.9
67.05506	54.4
69.07069	15.6
71.05000	3.6
71.08637	2.2
71.11241	2.3
79.05495	32.5
81.07059	49.9
83.04979	4.9
83.08620	14.6
85.06542	4.5
85.10185	80.0
86.10524	1.9
91.05483	32.1
93.07046	43.5
95.04973	5.6
95.08608	51.5
97.06547	7.2
97.10172	5.2
98.97602	2.9
99.08079	3.2
105.07041	24.7
107.08599	33.0
109.06525	3.5
109.10153	15.1
111.08093	6.1
113.09650	100.0
114.09997	3.0
114.99481	1.7
117.07034	6.6
119.08609	11.3
121.06555	1.8
121.10148	23.8
123.08098	5.2
123.11736	6.2
125.09656	3.0
131.08566	16.3
131.10669	4.8
133.06465	2.4
133.10136	49.9
135.08058	10.3
135.11708	5.4
136.06198	2.1
141.12721	3.4
145.10123	15.7
146.49382	1.8
147.11711	5.5
149.09613	8.6
149.13268	25.4
151.11191	9.1
153.12798	2.3
159.11739	9.2
161.13275	3.8
163.14833	4.1
165.12816	3.0
167.03320	2.4
167.14262	13.1
173.13373	3.4
177.16498	3.8
181.15912	4.2
185.13329	2.6
187.14816	17.9
189.16388	2.0
191.14307	7.2
205.15884	13.7
233.15387	5.9
233.22653	3.7
240.08960	1.8
243.21092	8.8
261.22195	15.4
274.97507	2.9
279.23276	39.9
280.23584	2.9
297.18344	4.7
297.21567	3.6
298.22751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	11.7
60.01297	2.3
65.34545	2.2
65.38562	2.4
71.29340	4.0
75.75443	2.3
98.97585	100.0
101.00898	3.1
115.15154	2.5
116.98621	50.1
119.01920	6.5
134.99657	15.1
172.94278	3.8
177.00977	10.4
190.95404	3.1
208.95865	2.9
212.92152	3.9
213.92230	3.0
214.95514	6.2
217.98952	6.3
219.01994	35.4
225.01022	4.3
226.95416	3.3
230.93300	3.0
232.96468	8.1
234.99806	3.6
235.99937	10.5
243.02010	3.7
250.97449	5.4
255.93448	4.9
256.92908	2.8
256.96552	16.7
261.03052	56.2
262.03317	3.2
273.94510	5.3
274.94443	4.4
274.97488	97.4
275.04639	8.0
291.95398	4.3
292.98526	52.2
298.97745	21.9
299.09613	6.4
309.49237	2.7
316.98831	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	18.6
57.03439	5.3
60.90630	2.8
69.57784	14.1
71.95253	4.0
97.02932	3.7
98.23352	3.8
98.97588	100.0
107.04906	3.0
112.35323	3.1
116.98621	45.9
119.07124	3.0
134.99673	11.8
136.06206	7.5
158.78867	3.0
172.94373	5.3
174.97690	15.8
177.00880	6.8
190.95509	7.3
192.98726	7.7
214.95514	5.3
216.98691	4.8
219.01836	4.0
231.00331	8.9
232.96440	11.9
234.99754	3.6
249.01350	9.2
256.96237	14.5
274.97128	58.9
292.98444	35.1
298.97763	5.3
306.53241	3.3
316.98770	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	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.40402	0.2
57.03438	0.2
61.01152	6.3
69.03425	0.4
70.72406	0.5
75.02701	3.1
75.90457	0.2
85.02998	0.3
94.04052	0.3
97.02898	2.1
103.02187	0.4
106.07347	0.2
119.03544	0.9
132.46788	0.2
136.06186	100.0
137.04694	0.3
137.06638	1.5
145.03215	1.7
163.04257	1.7
278.68231	0.2
298.09671	4.4
299.10052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03951	1.7
55.05515	16.6
56.05037	8.4
57.07076	5.6
58.02956	2.6
58.80830	1.1
60.04525	4.8
62.65186	1.1
65.03957	1.6
65.96488	1.0
67.05507	22.5
68.05034	3.0
69.07064	13.9
70.35868	2.4
70.97437	1.0
71.08639	1.9
72.04517	2.4
74.06086	1.3
74.98067	0.9
79.05494	14.2
80.05014	3.6
81.07052	17.1
82.06587	8.5
83.08631	7.4
84.08149	1.2
85.10134	1.1
86.06074	2.9
91.05491	9.0
93.07047	9.1
94.06566	4.7
95.04992	1.8
95.07378	1.5
95.08613	12.8
96.08131	2.2
97.10183	2.8
98.97617	2.5
100.07600	2.5
105.07040	4.9
107.08609	4.4
108.08095	1.9
108.21159	1.0
109.10175	4.5
116.98607	1.5
119.08602	3.9
121.10157	6.1
122.09704	1.8
122.49485	1.0
123.11700	1.4
133.10115	3.7
135.11707	2.3
136.06180	2.1
191.17943	1.1
191.96307	1.1
224.53352	1.3
225.22691	1.2
250.25325	7.6
262.25360	3.5
274.97406	2.3
280.26349	100.0
281.26712	4.5
292.98376	1.5
298.27499	2.9
314.96173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.86667	0.3
55.05517	14.6
55.90640	0.3
67.05511	0.6
69.03455	0.3
69.07058	0.3
69.49485	0.6
69.49903	0.9
71.04992	0.6
79.05507	1.1
81.07083	0.5
83.04988	100.0
83.08638	0.4
84.05309	1.3
85.32745	0.2
89.11745	0.2
91.05498	1.4
93.07024	0.7
93.57912	0.2
95.04986	0.7
95.08579	0.5
97.06584	0.3
105.07041	1.0
107.08640	0.5
109.10150	0.4
111.42899	0.3
115.05446	0.5
117.07060	0.8
119.08589	0.7
121.06554	0.3
123.08103	0.3
128.06226	0.6
129.06995	0.8
131.08554	0.5
137.09642	0.3
141.07002	0.8
142.07793	0.6
143.08571	0.9
145.10155	0.5
153.06987	0.6
155.08572	0.7
157.10146	0.8
158.07301	0.3
159.08070	0.9
159.11705	0.3
165.07027	0.8
166.07838	0.5
169.06587	0.4
169.10146	0.5
171.11674	0.3
173.09708	0.3
181.10121	0.4
183.08038	0.3
184.08864	0.4
197.09634	0.5
197.13214	0.3
199.11137	1.6
200.92274	0.3
217.12187	0.4
237.25163	0.3
251.21484	0.3
281.15588	0.3
281.19354	0.3
299.16510	4.2
299.20114	1.3
299.27866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2007
Annotation	Angustanoic acid E
Peak:m/z	Relative Intensity
53.03946	1.1
55.05503	2.4
57.07065	1.1
65.03945	0.9
67.05495	3.7
69.03429	1.8
69.07058	3.1
69.55094	4.8
79.05499	5.4
81.07036	4.0
81.41121	1.0
83.04970	2.2
83.08607	3.0
86.63817	1.0
91.05480	28.1
93.07056	6.0
95.04953	2.5
95.08620	7.2
98.23325	1.7
98.28421	0.9
103.05450	1.6
105.06396	1.1
105.07040	18.7
107.08604	8.5
109.06465	1.7
109.10146	2.5
111.08070	1.1
115.05441	2.6
116.06239	9.1
117.07024	2.1
119.04949	8.7
119.08581	17.7
121.06484	1.6
121.10128	7.3
123.08068	3.9
125.09647	2.8
128.06152	1.5
129.07005	9.8
131.08565	46.7
132.08908	0.9
133.06473	1.4
133.10103	4.3
133.40259	0.9
135.08040	2.8
135.11661	0.8
141.06982	1.3
142.07758	2.6
143.08533	4.4
145.06476	1.4
145.10126	3.9
147.08003	1.6
147.11676	1.4
149.09628	5.3
155.08545	2.2
156.09320	2.7
157.10182	5.5
159.08052	100.0
159.11676	2.9
160.08398	3.6
161.09618	2.4
161.13237	2.2
163.11191	1.2
167.10672	1.1
169.10141	3.3
171.07957	1.0
171.11697	5.0
173.13255	1.4
181.10123	1.7
182.10812	1.6
183.11697	3.3
185.09595	1.1
185.13263	1.8
187.11195	1.2
189.12697	4.9
193.10126	1.8
195.11732	1.8
197.13269	4.0
199.11188	7.6
199.14839	1.9
201.09273	0.9
201.12776	2.0
206.10898	1.9
207.11711	1.9
209.13225	1.8
210.10316	1.5
211.11232	1.9
211.14850	1.5
213.12729	2.0
221.13220	1.9
223.14856	1.9
225.12822	5.4
225.16342	1.2
226.13354	1.4
233.13210	1.2
237.16328	1.2
239.14291	1.8
239.18005	1.0
241.16005	1.3
243.13885	3.0
253.19528	1.6
257.18875	2.8
263.17953	3.9
269.54782	1.0
281.19000	23.3
282.19424	1.4
299.05481	1.9
299.09445	1.2
299.16965	1.7
299.20035	45.1
300.20328	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
55.05510	4.0
67.05491	4.3
69.03421	1.8
69.07069	2.5
71.30585	2.1
73.46674	1.2
79.05519	5.4
81.03413	1.2
81.07052	5.5
83.04994	5.5
83.08608	3.1
83.59691	1.1
85.06537	1.7
86.76880	1.2
91.05481	26.9
93.07059	7.6
95.04968	2.1
95.08615	9.0
98.37189	1.2
105.06383	1.4
105.07040	18.4
106.07317	1.3
107.08594	8.1
109.06536	1.7
109.10173	2.7
115.05419	1.4
116.06222	10.2
117.07021	1.8
119.04945	8.6
119.08599	15.9
121.06544	2.0
121.10150	7.5
123.08024	1.3
125.09619	3.7
126.70259	1.1
129.07011	9.0
131.08574	44.5
133.10135	4.3
135.08055	2.3
141.06979	2.0
142.07782	1.4
143.08551	4.5
145.10107	3.4
145.93391	1.3
147.08026	1.2
147.11687	2.4
149.09659	4.2
155.08589	2.3
156.09386	2.1
157.10143	5.0
159.08060	100.0
159.11652	2.6
160.08408	3.7
161.09619	1.7
169.10172	2.8
170.15385	2.2
171.11723	5.8
173.09543	1.3
175.11143	1.5
182.10947	1.8
183.11711	2.8
185.09683	2.0
185.13283	1.8
187.11148	2.0
189.12756	4.3
193.10184	2.3
195.11697	1.8
197.13264	4.0
199.11145	5.2
199.14821	1.4
201.12782	2.7
207.11671	2.7
209.13193	1.5
211.11107	1.5
211.14784	2.5
213.12727	2.2
221.13345	2.1
223.11241	1.1
223.14804	3.1
225.10724	1.2
225.12758	4.9
239.14224	2.8
243.13861	3.3
248.97910	1.4
253.19440	1.2
257.19031	3.6
263.17960	5.3
281.19031	22.4
299.20062	50.3
299.23471	2.9
300.20337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.0
57.07069	7.8
58.55830	2.1
67.05504	19.2
69.07060	14.7
71.08613	4.5
71.32452	2.6
79.05492	12.2
81.07056	31.6
83.08617	6.2
88.07601	6.5
89.07956	3.8
91.05490	5.9
93.07044	18.1
95.08611	57.3
95.09188	2.5
97.10165	6.6
105.07030	19.5
107.08599	29.5
109.10156	31.3
116.20652	2.3
119.08597	15.1
121.10157	23.0
123.11687	15.3
131.08572	4.2
133.10139	18.5
134.38921	2.3
135.11696	14.3
137.13284	5.0
145.10115	4.7
147.11702	19.9
149.13266	11.4
161.13266	22.3
163.14815	5.8
173.13313	3.5
175.14821	12.4
177.16403	8.5
189.16412	13.9
191.17995	15.7
201.16377	5.9
203.17972	17.5
215.17924	7.4
217.19576	9.8
228.23181	5.4
229.19522	8.5
229.23549	14.4
243.21078	8.5
257.22592	2.5
299.23880	4.9
299.27322	100.0
299.31369	96.8
299.34805	4.8
300.27652	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	300.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42222	1.7
55.68876	1.7
56.96573	5.8
57.80445	1.6
70.50308	4.8
70.51910	1.4
98.97588	100.0
116.98619	45.6
119.40820	1.7
134.99664	10.5
174.97672	2.9
197.97092	1.6
215.95734	2.4
219.01988	1.9
233.96768	2.4
240.98660	3.3
256.47644	1.5
257.97015	2.7
258.99780	45.7
260.00009	2.8
263.02948	5.0
275.97763	3.7
276.02390	1.7
276.97668	5.3
277.00815	61.7
277.03992	2.4
278.01059	3.7
294.98038	2.1
296.38480	1.6
299.97821	9.7
300.97672	2.7
301.01007	2.6
317.98969	12.6
318.98721	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	300.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76106	1.4
54.27161	1.5
56.96324	1.9
56.96570	14.2
58.06590	2.3
60.04529	5.4
60.68108	1.4
69.51248	8.1
69.59202	1.4
70.06593	26.1
71.95256	2.1
72.08146	8.3
72.93511	1.5
84.04496	2.9
84.08141	5.7
85.02940	1.5
85.96656	1.5
86.06077	1.9
86.09715	3.9
90.60605	1.6
98.23273	3.0
98.97589	100.0
104.07109	3.4
110.07159	2.5
116.07080	4.5
116.98626	66.6
119.01897	2.4
128.98639	2.4
134.99672	24.8
138.09198	2.2
153.00671	2.3
157.09724	2.9
157.96666	1.8
167.25052	1.7
168.05174	2.8
174.97627	5.7
175.97783	5.8
176.97467	1.9
177.00912	6.3
178.01071	9.5
179.00714	3.8
185.09227	2.3
189.12497	1.7
192.98810	2.5
193.03201	3.4
193.98882	4.4
198.98578	9.7
203.02554	2.4
203.05385	1.6
204.02631	11.9
205.00533	1.6
205.02306	4.1
210.95969	3.0
213.12469	2.3
216.98541	8.2
219.02029	6.6
220.02159	2.4
232.00377	3.8
232.96632	3.1
233.00027	2.0
233.03606	4.4
234.95903	2.1
234.99728	4.0
240.11748	3.3
240.98859	4.9
246.03650	3.5
250.01457	5.6
252.97072	5.7
255.14134	1.9
257.98511	2.6
258.99728	54.2
259.99869	3.8
263.02774	2.8
273.03220	2.6
275.99521	12.3
276.97208	4.9
277.00824	76.5
277.10721	2.8
278.00955	4.3
294.00485	2.3
294.98077	4.4
299.97992	4.4
300.10385	6.6
300.14023	2.6
300.20316	6.3
300.97891	2.9
301.02261	2.9
301.09189	1.8
317.98828	6.9
318.02039	2.4
318.98404	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78181	0.5
55.82338	0.5
60.04532	100.0
60.39740	0.5
61.04858	0.6
70.06598	12.9
71.06419	1.1
72.04510	3.3
72.08167	1.1
72.47584	0.5
84.04535	1.2
86.09710	3.9
89.44783	0.5
90.05565	8.6
97.69756	0.5
98.97618	1.3
107.24211	0.6
116.07133	1.5
116.98665	1.2
121.06620	0.6
132.06619	0.8
134.99692	0.8
143.06570	0.6
146.91824	0.5
151.07613	1.7
153.05545	0.6
154.06241	0.6
166.06302	0.9
169.08685	0.9
178.06310	1.1
179.07056	1.1
181.08604	6.1
183.15002	1.9
187.10843	1.5
191.06996	0.6
196.07414	0.8
209.08096	1.4
211.09761	0.7
211.14516	1.5
221.08134	4.1
254.15109	0.6
254.64865	0.5
264.12390	1.8
265.10892	1.8
272.97690	0.6
277.01068	0.9
282.13391	1.3
290.98712	0.7
300.14404	6.1
300.19540	1.1
301.12421	9.6
309.36090	0.6
318.98056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.07
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01858	0.1
55.05488	0.3
56.43675	0.1
57.07052	0.1
64.46775	0.1
64.47556	0.1
67.05466	0.3
68.99791	0.2
69.03421	0.2
69.07027	0.3
69.16857	0.7
69.43102	0.1
71.04972	0.1
79.05473	0.3
80.46291	0.1
81.07063	0.5
83.04949	0.3
85.02875	0.1
85.99911	0.1
86.09721	0.5
91.05453	0.3
93.07052	0.5
95.04928	0.1
95.08601	0.5
97.06564	0.1
97.43904	0.1
103.05453	0.1
105.07040	0.4
105.56283	0.1
107.04964	0.1
107.08595	0.5
109.06512	0.2
109.10147	0.3
119.08584	0.6
121.10135	0.2
131.08528	0.3
132.10219	0.1
133.10072	0.3
135.04353	0.1
135.88280	0.1
137.02350	0.1
139.00243	0.1
143.08539	0.2
145.10094	0.4
147.11705	0.2
149.05936	0.3
152.01065	0.1
153.00658	0.1
153.01823	1.8
153.07008	0.2
156.09373	0.1
157.10095	0.2
159.11656	0.3
161.13245	0.1
165.06960	0.1
170.07249	0.1
171.11633	0.2
173.13312	0.2
181.06439	0.3
184.05202	0.1
185.13237	0.2
187.14825	0.6
188.04553	0.1
189.12563	0.1
197.05902	0.1
198.06915	0.1
199.07460	0.1
199.12393	0.1
199.14772	0.1
211.87862	0.1
212.04697	0.1
213.05385	0.1
213.08929	0.1
213.16513	0.1
221.04712	0.1
226.06224	0.2
227.11783	0.4
229.04965	2.5
230.05580	0.3
241.08611	0.1
255.11302	1.2
255.21101	0.6
257.04483	1.2
257.22754	0.2
258.05231	47.2
259.05612	2.1
269.04333	0.2
269.08127	0.1
273.03845	0.1
273.07474	0.1
283.10815	0.3
283.16870	0.2
283.20572	0.2
286.04706	57.8
287.05093	2.6
287.08212	0.2
301.07053	100.0
301.21582	1.0
302.07407	5.8
302.10272	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	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
69.87293	0.5
91.05476	0.3
95.04952	0.2
107.04868	0.1
112.15719	0.1
113.50253	0.1
119.04865	0.2
137.05949	0.6
149.05946	0.3
151.03937	0.2
152.06177	0.3
153.01820	1.4
153.06938	0.6
165.06972	0.4
166.80078	0.1
169.06462	0.2
170.07295	0.2
181.06458	0.7
182.07288	0.2
183.08151	0.2
187.07623	0.3
195.04553	0.1
195.08096	0.3
197.05980	0.2
198.06720	0.6
199.07561	0.2
201.05501	0.2
208.05130	0.2
209.05949	0.2
211.07445	0.2
213.09102	0.3
223.07597	0.3
226.06233	0.5
229.04932	2.4
230.05576	0.3
241.08563	0.6
250.12756	0.2
255.21123	0.1
257.04538	1.2
258.05237	46.5
259.05591	1.8
269.04123	0.1
269.08090	0.4
273.07669	0.2
286.04712	58.9
287.05087	2.7
301.07074	100.0
302.07401	5.2
302.10474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1183
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
54.56441	0.3
55.01882	0.4
65.03955	1.6
67.05516	1.3
70.06606	0.4
79.05498	0.8
81.07070	0.6
90.26765	0.3
91.05493	1.5
91.88335	0.4
92.04998	2.6
93.03400	0.4
93.07048	0.4
94.06594	1.2
95.08634	0.4
105.07068	0.5
108.04465	0.5
109.10217	0.4
110.06057	0.4
115.05476	0.6
119.04958	0.8
119.08638	0.6
120.04440	2.3
121.06548	0.5
122.06053	1.5
125.04195	0.3
128.06282	0.6
129.07022	0.8
130.06572	0.5
134.06029	0.5
136.07553	2.1
137.05988	0.4
141.07059	1.2
142.07802	0.4
143.08533	0.5
144.08116	1.0
146.06070	0.6
148.03871	0.5
152.06235	1.3
153.06964	2.1
154.06483	0.5
154.07776	0.8
155.08563	0.8
156.08080	0.5
157.10197	0.5
158.05986	0.4
158.09682	0.8
159.09230	0.5
160.07613	0.8
161.07155	0.5
162.05574	1.5
165.06958	2.4
166.07793	0.5
167.07330	2.3
167.08646	1.2
168.05721	0.8
168.08122	1.0
169.06487	0.9
169.07709	0.6
169.08911	1.4
170.07224	0.5
170.08456	1.4
170.09666	0.9
171.09183	0.5
172.07613	0.8
172.11278	0.7
173.07182	0.8
180.08096	0.8
181.06424	3.0
182.07295	0.8
182.09674	3.2
183.04459	0.6
183.09192	2.9
184.07629	0.5
184.09836	2.4
184.11299	1.7
185.07130	0.5
185.10782	0.8
186.09193	0.6
187.08766	2.4
192.08087	0.4
196.07520	0.6
197.07114	2.3
197.08617	0.9
198.07935	3.7
198.09319	0.9
199.08662	1.7
199.12297	7.4
200.10870	0.5
209.05954	0.5
209.10773	0.8
210.09134	6.8
210.11041	0.4
211.08667	7.2
212.09300	11.2
212.11206	0.6
213.06679	0.9
213.10356	5.3
214.10948	0.5
215.07138	0.5
225.06723	2.8
225.10239	1.0
226.07622	2.7
226.11034	1.5
227.08333	1.0
227.11778	27.0
228.10115	0.5
228.12152	0.9
237.10265	2.8
238.08562	2.1
239.08124	3.1
240.08911	13.5
241.09752	16.7
242.09845	0.8
253.09766	0.5
254.10620	1.2
255.11278	100.0
256.11658	5.4
257.12881	2.4
258.08813	0.5
259.10922	0.4
269.08051	0.6
273.12363	0.6
283.10779	24.7
284.11215	1.5
300.92828	0.4
301.11603	14.6
301.21652	0.7
302.11984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99009	0.4
69.82165	0.9
69.82561	1.0
70.06583	0.6
72.08140	0.9
73.36285	0.4
85.64983	0.4
86.09705	1.1
94.42017	0.4
98.23326	0.6
113.06118	0.4
140.50720	0.5
142.20374	0.4
221.04990	0.9
301.12576	100.0
302.12878	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	301.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
58.97017	0.3
61.02946	0.3
69.07069	0.4
70.06599	1.3
71.05939	0.2
71.28713	0.2
71.31071	0.4
71.95267	2.3
72.95641	0.5
72.96049	9.0
74.97594	2.5
83.97161	0.5
83.97633	5.2
84.08145	1.1
84.96037	4.4
85.02906	0.4
86.09708	12.4
86.96049	0.3
86.97608	0.3
87.10067	0.4
97.99176	1.8
98.97581	3.2
101.98653	0.7
102.97053	0.5
104.74493	0.4
109.99171	0.7
110.97556	1.6
112.97883	0.3
113.98685	0.4
115.00694	1.3
116.00195	0.4
116.07115	0.6
116.98621	1.9
119.01918	0.4
122.06040	0.7
124.00717	2.9
124.99192	0.3
126.02292	7.4
127.00684	0.6
128.00208	0.4
128.97354	0.6
128.98616	2.1
129.02299	0.4
130.93300	0.8
132.10188	2.0
132.52504	0.5
133.01747	0.5
138.02271	0.3
138.99460	0.4
140.03833	9.4
140.04910	0.6
140.07076	0.9
142.01797	1.8
142.05389	9.3
143.03778	0.6
144.03329	4.3
146.99689	1.1
147.03279	0.9
149.52850	0.5
153.02301	0.8
158.04900	16.9
158.92798	0.6
160.06458	23.8
161.04813	1.4
162.04318	0.6
166.94009	0.3
170.04887	8.2
171.03291	4.1
172.94382	0.4
173.03673	0.4
174.97647	0.4
176.05943	4.4
176.93858	0.5
177.00934	0.6
178.07532	6.7
179.05846	0.7
179.08005	0.3
183.08035	0.4
188.05949	17.6
189.04355	19.1
190.07486	0.4
192.87080	0.3
197.06506	1.0
198.98637	1.7
205.02420	0.4
205.08684	0.4
206.07007	36.2
207.05424	11.4
207.07307	0.7
216.98808	1.0
219.02068	0.7
223.09633	0.6
224.08060	42.0
225.08414	1.2
229.08571	0.3
232.96466	0.3
233.00089	0.3
233.03545	0.5
234.99734	0.4
242.09129	0.7
246.03386	0.3
247.09734	0.6
249.01169	0.4
253.60689	1.3
256.12103	0.5
257.15347	0.4
258.99796	0.9
260.08115	0.8
266.10385	0.3
271.13367	0.5
273.02893	0.3
273.09225	0.4
273.14780	1.0
274.13409	0.3
276.98648	0.4
283.13431	0.6
284.11771	1.6
287.07880	0.8
291.15915	0.3
301.02521	0.6
301.09326	2.5
301.14343	19.1
302.12573	5.0
319.15396	87.6
320.15945	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88070	1.3
53.03941	1.6
57.03436	4.1
61.02926	2.8
65.03941	2.9
67.05502	42.6
69.03429	17.9
69.07069	10.2
71.12047	1.8
81.03420	5.4
84.08151	2.1
85.02905	47.5
86.09695	1.5
94.06528	1.3
95.04971	62.3
97.02895	40.0
103.03960	5.0
109.02877	10.4
112.07607	38.7
113.05991	6.7
115.03881	1.5
122.06035	3.3
123.04462	1.7
124.07550	1.8
127.03918	9.8
136.07578	4.5
137.34027	1.3
140.07065	100.0
141.07405	2.1
145.04977	2.9
152.07002	1.9
154.08601	7.7
164.07018	2.1
178.08661	3.6
182.08128	66.9
183.08450	3.1
202.54045	1.5
206.08128	16.5
207.08443	1.4
218.08252	2.0
220.09801	1.2
236.09131	2.0
248.09201	10.1
302.12558	2.2
304.61359	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.05510	8.4
57.03433	5.2
58.06588	3.2
61.02918	3.6
65.03955	2.0
67.05504	16.7
68.05823	1.9
69.03430	9.7
69.07060	4.4
70.06583	5.4
71.05000	5.3
71.11202	2.8
72.08157	100.0
73.02895	2.0
79.05491	7.8
81.03411	6.6
81.07068	13.3
84.08091	2.6
85.02903	58.3
85.06530	4.3
86.09702	37.1
90.52602	1.7
91.05473	7.2
93.07045	6.0
95.04943	4.9
95.08608	4.0
97.02895	26.9
98.09701	11.1
100.94290	1.8
103.03937	3.6
105.07034	3.6
107.08591	2.8
108.08123	9.0
109.02886	6.0
118.06587	2.2
119.08633	1.9
122.06049	6.4
124.07559	2.6
124.11195	2.3
125.05965	3.4
126.05509	3.1
126.09148	3.7
127.03927	12.9
132.10214	7.1
133.06557	1.7
136.07558	11.8
138.05539	2.6
140.07071	28.7
143.11792	53.0
145.04967	6.2
150.09113	4.2
152.07080	12.4
153.06987	2.7
154.08679	5.2
157.13382	13.9
162.05531	2.8
164.07039	12.1
171.11287	20.0
178.08617	12.4
182.06561	4.1
182.08122	55.7
183.08302	2.2
185.12854	4.6
203.13951	4.3
206.08128	25.8
231.17136	2.1
248.09279	4.3
248.23643	2.2
260.11078	3.7
266.24753	15.3
284.25745	14.7
285.12262	2.5
302.11847	8.3
302.26898	40.6
303.13242	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	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47443	1.1
53.03941	2.1
53.26884	1.0
55.01867	1.3
57.03436	2.9
61.02930	2.7
64.55919	1.0
65.03938	2.0
67.05505	39.0
69.03430	16.6
69.07064	9.2
70.06596	1.3
70.35190	1.8
70.35545	2.4
73.02919	2.2
75.97868	1.0
78.31532	1.0
81.03419	5.2
82.08095	1.0
84.04519	1.3
84.08150	3.1
85.02905	47.3
85.08449	1.1
86.09693	4.0
94.06567	2.3
95.04971	59.5
97.02274	2.6
97.02892	44.6
99.04456	1.9
103.03940	4.5
108.17953	1.2
109.02871	8.0
110.07136	1.2
112.07614	37.7
113.06024	4.2
122.06036	2.0
123.04430	2.6
124.07617	3.1
127.03904	8.3
136.07599	3.3
140.07066	100.0
141.07388	3.1
144.10257	1.3
145.04942	3.1
150.09183	2.5
152.07065	2.2
154.08612	7.7
165.45338	1.1
167.11858	1.1
171.11197	1.1
173.61232	1.1
178.08653	3.0
182.08131	68.5
183.08473	1.9
199.18036	1.3
206.08128	17.5
211.07574	1.4
218.08095	2.2
229.67447	1.3
236.09227	2.5
243.64560	1.3
248.09186	10.0
254.18190	1.2
284.11215	1.4
302.12421	1.5
303.14081	2.3
305.89752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1497
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
53.85161	0.5
55.01866	2.0
55.05502	0.5
67.03662	0.5
67.05493	1.4
68.05052	0.6
70.06591	40.8
70.37759	1.1
78.68329	0.5
81.07034	1.5
84.08149	0.7
86.09701	0.9
91.05472	1.1
95.08583	0.9
105.07018	0.6
110.07145	0.9
112.05615	0.5
114.05531	23.0
115.05426	3.4
116.07089	20.4
116.66786	0.6
117.05740	3.1
118.06520	1.2
119.08560	0.8
121.06529	0.7
123.04465	0.6
125.07096	4.5
130.06523	20.3
131.04944	0.6
132.08087	52.2
133.08360	0.9
137.05972	1.3
142.06529	7.2
143.07246	0.6
144.08078	16.1
149.05951	1.6
150.06288	1.4
151.03857	1.3
151.07573	0.7
152.04214	0.9
153.06799	0.5
154.07289	0.5
155.08556	0.5
159.09172	100.0
160.07571	5.2
160.09598	3.1
165.07014	0.6
170.06004	24.6
171.06410	0.8
171.07666	4.0
172.07578	4.6
177.05461	1.5
178.05817	1.8
182.06902	0.5
183.08022	0.8
188.07108	0.7
210.06558	0.7
211.04233	0.6
211.07475	1.2
212.04645	1.2
239.06819	0.6
239.11798	1.0
244.06937	0.6
257.12897	4.5
262.26721	0.5
264.77029	0.5
266.24792	1.0
271.09766	0.6
284.25739	1.7
285.12332	47.0
286.12646	2.2
302.11047	3.9
302.14941	5.9
302.26871	6.1
303.05026	1.0
303.12329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23835	0.5
55.01868	2.3
57.64606	0.5
66.35536	0.5
67.05495	1.1
69.07048	0.9
70.06596	40.1
79.05509	0.7
81.07042	0.9
86.09750	0.9
91.05460	0.9
95.08582	0.6
95.29514	0.5
98.09693	0.8
110.07198	0.6
114.05535	19.8
115.05438	3.9
116.06320	1.0
116.07098	18.5
117.05738	3.9
117.07007	0.6
118.06522	1.0
125.06180	0.7
125.07117	5.9
126.05537	0.8
130.06535	22.0
132.08095	52.0
133.08421	1.4
136.04713	0.6
137.05946	0.8
142.06526	7.3
144.08084	16.6
149.05949	0.6
150.06305	1.6
151.03873	0.8
151.07452	0.6
159.09178	100.0
160.07594	4.8
160.09512	2.6
161.05907	0.6
163.85457	0.5
165.19150	0.6
170.06018	24.5
171.06308	1.0
171.07607	3.9
172.07608	4.0
177.05377	1.0
178.05855	1.2
182.06857	0.9
183.07944	0.8
188.07010	1.1
198.06567	0.6
199.07445	0.6
211.04190	0.8
211.07462	0.9
212.04607	1.6
239.11775	1.1
243.10120	0.7
257.12802	4.1
266.24777	0.7
271.09491	0.9
284.26001	1.1
285.12344	38.8
286.12680	2.0
302.11215	2.7
302.14993	4.4
302.23761	1.0
302.26920	6.4
303.12360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2073
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05507	5.7
57.05817	1.1
60.34641	0.7
65.03928	1.5
67.05495	1.5
69.03437	0.8
71.05001	0.7
71.30597	0.9
72.08158	100.0
73.08489	0.8
74.60775	0.6
79.05501	1.2
81.07037	0.9
84.08138	0.5
85.02881	1.1
86.09708	27.7
88.49529	0.6
91.05483	31.3
92.05818	2.1
95.04961	0.9
95.08593	0.8
97.02910	0.6
98.97590	2.6
100.07602	1.1
107.05028	0.6
109.03966	0.7
109.06477	0.6
110.97606	2.1
116.98633	1.0
117.07021	0.8
118.08677	0.6
119.08640	0.9
120.08926	0.9
123.07998	0.7
130.06561	1.1
132.10210	5.1
138.09964	0.9
140.07082	1.1
143.11797	66.6
144.12141	1.4
151.07513	0.6
157.13371	9.4
158.99744	0.8
170.99632	0.9
171.11298	26.2
172.11653	0.8
174.09145	0.8
174.27541	0.6
185.12929	3.5
189.12520	0.7
203.13841	0.7
212.31604	0.8
219.01753	3.2
231.17084	2.9
236.06229	3.2
237.02843	4.0
245.06953	0.9
261.02872	1.2
267.11383	0.8
279.03787	3.6
285.11993	0.7
302.10596	1.0
302.26892	1.3
303.05295	0.6
303.13318	1.0
321.05051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Leu Leu Gly
Peak:m/z	Relative Intensity
52.62607	0.2
57.05818	0.3
60.04534	0.4
61.42470	0.3
67.05509	1.5
69.03425	0.8
69.07069	6.1
69.55711	0.7
69.56117	0.6
70.06581	1.6
72.08150	0.9
80.44038	0.3
81.03438	0.3
84.04512	0.4
84.08142	1.5
85.02901	1.6
86.09706	100.0
87.10033	1.5
95.04967	2.7
97.02914	1.2
97.62821	0.2
98.06071	0.3
103.05534	0.3
109.02879	0.4
110.07153	1.1
112.07590	1.2
112.08714	0.4
114.09186	0.3
120.08096	0.4
121.06512	0.2
123.04449	0.3
127.03923	0.4
129.10287	0.6
130.06561	0.3
131.08081	0.3
135.04478	0.3
135.08121	0.2
136.04710	0.4
136.07593	0.3
137.06068	0.4
140.07074	3.1
149.05959	0.4
150.06580	0.3
152.07072	0.7
158.11789	0.4
165.06984	0.3
182.08099	2.7
183.08136	0.3
189.12341	9.3
199.18059	22.0
200.18372	1.1
206.08188	0.3
227.17548	7.1
227.19672	0.5
248.09140	0.3
272.09958	0.5
283.95401	0.3
302.13113	1.4
302.19803	1.1
303.05136	0.4
303.14374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
67.05521	1.1
69.07069	6.0
69.73547	0.4
70.06587	1.1
75.05602	10.4
79.05521	0.7
81.07052	1.1
84.08129	0.7
86.09705	100.0
87.10053	1.5
91.05469	1.0
93.07047	0.8
98.09662	0.6
98.23419	1.2
101.44743	0.5
105.07018	1.3
110.07180	1.4
121.06472	0.6
124.41330	0.5
131.27338	0.5
132.10210	10.3
137.06024	2.3
138.06325	1.4
143.11797	74.2
144.12158	1.4
149.05975	6.2
150.06323	5.2
151.03893	2.2
151.05028	0.6
152.04210	1.5
165.07004	0.7
170.05942	0.6
171.11287	16.4
177.05499	4.5
178.05823	6.0
182.06868	1.2
183.08025	0.7
189.12407	1.3
214.09515	1.0
266.24844	0.9
271.09607	1.4
274.11584	0.7
284.25922	0.6
285.12592	0.7
302.11053	4.2
302.14172	0.8
302.21622	0.7
302.26889	3.0
303.04990	2.0
308.24588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24210	0.5
62.64282	0.6
67.05508	1.3
69.07070	7.5
70.06596	1.1
72.08159	0.9
75.05607	12.3
81.07053	1.5
85.02909	1.5
86.09709	100.0
87.10042	0.9
91.05499	1.3
93.07074	0.9
95.08573	0.7
98.22599	1.7
103.05464	0.6
105.07039	1.9
107.92154	0.5
110.07167	1.7
132.10214	9.5
137.05968	1.4
143.11803	72.6
144.12164	1.7
147.04370	0.9
149.05962	4.7
150.06314	3.9
151.03902	1.5
152.04239	1.1
153.07022	0.7
153.12840	0.7
159.09267	0.7
165.07068	1.0
171.11296	15.6
177.05508	3.0
178.05829	4.8
182.07022	0.8
182.29619	0.7
183.08113	1.3
183.50131	0.7
189.12381	1.0
211.07518	1.7
242.08981	1.3
243.10158	1.8
266.24722	0.6
270.08237	0.8
271.09625	1.1
274.11584	1.0
302.10938	3.0
302.26910	2.8
303.05109	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97801	0.5
69.61597	3.0
82.99881	0.7
98.23424	0.8
98.97582	3.6
101.00883	3.6
116.98622	1.7
119.01913	6.5
120.01978	1.4
137.02957	1.2
140.98807	0.8
158.99895	1.6
159.99927	1.1
177.00955	13.2
178.01035	6.4
179.00725	2.4
182.99855	0.9
183.99881	0.7
201.00958	2.0
202.00993	1.3
217.04028	2.1
218.04137	1.6
219.02016	21.7
219.04100	1.2
220.02112	12.4
221.01772	5.1
225.00949	2.3
226.01105	1.0
243.01965	7.5
244.02116	5.7
245.01752	1.2
249.82396	0.6
260.04715	0.7
261.03040	100.0
262.03195	67.4
263.02859	17.8
277.01044	0.6
279.00824	2.2
280.01001	1.4
283.00037	1.8
284.04575	1.7
284.99881	2.8
285.04758	1.5
301.01053	1.4
302.97443	1.2
303.00906	6.3
303.05872	9.9
304.00800	0.7
304.05621	2.9
320.98096	2.1
323.12717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.96565	49.6
60.05634	1.3
65.97614	0.6
69.43626	1.7
69.44038	1.8
70.06586	5.4
71.95277	1.5
72.08159	6.5
74.06082	0.9
74.97588	1.2
83.06100	1.5
83.97623	1.5
84.04499	1.2
84.08137	4.0
86.09698	5.7
87.10030	0.8
89.06039	0.7
97.99167	1.3
98.97587	15.0
101.98682	0.6
102.09145	0.8
110.07176	8.9
112.08759	0.8
112.98026	0.6
116.07079	1.4
116.98633	9.1
117.05650	0.7
117.48187	0.6
129.10220	2.2
130.06519	1.0
131.20598	0.6
132.08072	5.0
134.99637	6.3
137.05963	1.6
144.96756	1.3
145.09711	0.7
149.02759	1.0
153.00696	0.8
153.63800	0.7
156.01195	0.9
156.07753	1.0
159.11319	1.5
167.03833	1.8
173.09128	0.8
174.02283	26.1
175.11877	1.9
184.00627	0.6
185.16544	1.8
188.03781	4.1
189.12439	0.6
192.03326	49.9
193.03665	1.9
197.03914	0.9
202.01729	1.4
204.03354	3.4
206.04900	12.3
207.01973	3.0
208.02782	2.4
210.04381	10.8
210.06209	1.3
213.16040	1.6
215.04916	18.4
216.03154	1.1
216.05182	1.0
217.06506	8.4
218.01181	1.7
220.02786	4.7
222.04434	5.9
224.05922	3.0
225.03114	0.9
226.03951	0.8
229.02757	3.6
231.04379	3.2
233.05977	13.6
234.04347	1.6
235.07581	8.6
236.02339	3.3
238.03850	2.7
240.05371	1.4
243.04372	7.0
247.03944	5.2
249.05524	2.0
258.04333	3.2
261.05472	100.0
262.05920	3.3
265.05075	1.3
276.05457	2.4
279.06528	75.9
280.06747	3.6
284.06897	3.8
286.03842	1.3
302.08060	1.2
303.06436	3.8
303.10464	5.9
303.14029	7.2
303.17719	2.8
303.20978	1.3
304.04788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22554	11.9
69.03384	11.7
69.18388	100.0
69.18775	16.3
71.04995	30.9
72.08143	11.0
76.08547	11.8
98.06056	30.1
98.23337	22.8
98.46130	11.1
98.97571	14.1
99.04459	33.9
106.73664	10.9
116.07113	21.4
119.00367	12.7
119.01841	12.2
211.30403	11.3
303.08154	34.5
303.15497	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	8.0
66.58396	3.9
70.70805	4.4
70.81065	7.4
70.81386	5.0
70.86291	4.2
82.43044	5.0
87.62567	4.2
88.49529	4.2
90.46230	4.1
91.27809	3.6
92.66471	3.9
96.06924	3.9
98.97584	100.0
116.98650	30.4
134.99606	7.3
158.99654	48.6
159.33952	4.4
177.00664	33.8
219.01730	7.3
303.08362	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.0
56.96566	3.6
60.05643	1.0
69.03431	1.1
69.51765	3.8
70.06599	11.1
70.52678	0.9
71.04971	1.3
72.08164	8.9
83.06103	13.5
84.04504	3.2
84.08140	12.0
86.09698	11.9
87.05611	2.6
93.04537	5.7
95.06088	1.1
98.06069	1.1
98.97575	6.1
101.00937	0.9
103.05448	0.8
110.07166	100.0
111.07506	2.1
115.08720	1.4
116.07101	2.9
116.98607	4.7
119.01933	3.9
120.08141	3.0
123.06379	1.1
129.10249	8.2
130.03528	1.0
130.06525	2.9
130.08701	1.0
133.06079	8.4
134.99678	1.3
138.06601	4.5
141.01202	1.4
143.11774	5.7
153.01859	0.8
154.98325	0.8
156.07654	5.0
158.09285	1.7
161.02968	1.1
171.11343	2.1
172.97795	0.9
175.11935	3.1
176.04073	3.2
177.00879	3.1
179.00665	1.5
187.10808	1.5
192.05164	1.9
200.98367	1.7
201.73549	0.9
204.05206	1.4
210.06120	6.3
212.11925	2.4
214.96466	1.9
217.08243	1.1
219.01921	4.7
220.02122	1.7
221.01822	1.6
221.71445	0.9
222.06244	2.5
224.07791	1.0
233.07721	1.8
235.09253	2.6
236.99535	1.0
243.02023	1.7
244.02385	0.9
256.97662	5.9
257.13925	4.3
258.35291	1.1
259.09259	1.1
261.00281	1.3
261.02997	9.7
261.07397	2.6
262.03183	6.9
263.03043	2.6
279.08182	2.5
285.07169	2.4
285.13403	6.3
286.15067	1.3
298.98572	4.1
303.08228	5.9
303.10687	6.2
303.14594	8.2
303.17743	3.3
303.20355	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1058
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.29954	0.9
53.49148	1.0
56.05032	2.0
56.96569	4.8
60.05631	1.9
61.02928	1.1
69.07058	2.1
70.06595	12.4
71.04990	1.0
71.30336	1.2
72.08150	3.6
73.02915	1.0
74.06094	1.0
76.31943	1.0
81.03415	1.1
83.06091	5.4
84.04508	3.0
84.08141	13.7
85.02906	3.3
85.04054	1.0
86.09705	23.7
87.05576	1.7
93.04524	2.7
97.02902	2.2
98.02407	1.4
98.97601	1.9
101.07184	1.2
102.05550	1.8
109.02889	8.1
110.02388	1.0
110.07166	39.4
112.08761	1.5
113.10763	1.0
115.08738	1.0
116.07106	1.6
116.98641	1.2
119.01933	1.0
120.02037	1.3
120.08100	2.4
120.29669	1.0
124.07583	2.1
127.03918	1.2
127.05051	2.4
129.10242	8.1
130.08699	1.3
131.01920	1.2
134.99796	1.2
138.06601	1.3
141.05324	17.4
141.10240	2.4
143.11794	4.1
154.94270	2.1
155.11777	2.1
156.07724	3.9
157.13435	2.1
161.02994	2.1
166.08655	1.9
171.11313	1.9
172.07143	1.2
172.95343	4.6
175.11931	3.8
177.05464	1.3
177.45813	1.1
183.11348	2.0
185.04230	4.3
187.14502	1.3
200.13962	8.3
201.06087	1.3
203.05275	51.4
204.05762	1.1
207.06488	1.3
227.10391	1.2
240.13362	1.1
257.13950	2.5
285.13483	2.3
286.14893	1.2
303.01065	3.5
303.10529	100.0
303.13873	3.4
303.17792	4.4
303.21036	2.6
304.10965	4.5
321.02484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1058
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.29954	0.9
53.49148	1.0
56.05032	2.0
56.96569	4.8
60.05631	1.9
61.02928	1.1
69.07058	2.1
70.06595	12.4
71.04990	1.0
71.30336	1.2
72.08150	3.6
73.02915	1.0
74.06094	1.0
76.31943	1.0
81.03415	1.1
83.06091	5.4
84.04508	3.0
84.08141	13.7
85.02906	3.3
85.04054	1.0
86.09705	23.7
87.05576	1.7
93.04524	2.7
97.02902	2.2
98.02407	1.4
98.97601	1.9
101.07184	1.2
102.05550	1.8
109.02889	8.1
110.02388	1.0
110.07166	39.4
112.08761	1.5
113.10763	1.0
115.08738	1.0
116.07106	1.6
116.98641	1.2
119.01933	1.0
120.02037	1.3
120.08100	2.4
120.29669	1.0
124.07583	2.1
127.03918	1.2
127.05051	2.4
129.10242	8.1
130.08699	1.3
131.01920	1.2
134.99796	1.2
138.06601	1.3
141.05324	17.4
141.10240	2.4
143.11794	4.1
154.94270	2.1
155.11777	2.1
156.07724	3.9
157.13435	2.1
161.02994	2.1
166.08655	1.9
171.11313	1.9
172.07143	1.2
172.95343	4.6
175.11931	3.8
177.05464	1.3
177.45813	1.1
183.11348	2.0
185.04230	4.3
187.14502	1.3
200.13962	8.3
201.06087	1.3
203.05275	51.4
204.05762	1.1
207.06488	1.3
227.10391	1.2
240.13362	1.1
257.13950	2.5
285.13483	2.3
286.14893	1.2
303.01065	3.5
303.10529	100.0
303.13873	3.4
303.17792	4.4
303.21036	2.6
304.10965	4.5
321.02484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.9
55.01872	4.4
55.05515	15.4
57.03439	13.3
59.05015	1.4
59.58547	0.9
61.02937	1.4
63.07101	0.9
65.03952	3.3
67.05511	9.6
67.57215	1.0
69.03432	28.9
69.07085	1.7
70.06599	1.9
71.01357	5.4
71.04970	3.7
73.02923	3.0
79.05499	3.8
81.03426	6.6
81.07070	4.6
83.01336	1.2
83.04985	100.0
84.05347	1.6
84.08150	2.3
85.02908	56.6
85.06551	1.5
87.04488	4.0
91.05477	3.5
93.07059	3.5
95.04967	11.4
95.08634	2.7
97.02900	28.0
97.06525	2.3
99.04459	7.5
101.06027	3.0
103.03890	2.2
103.05463	1.5
105.07069	2.1
107.04976	1.8
107.08593	2.6
109.02893	1.9
109.06554	2.9
109.10181	0.9
110.07166	4.9
111.04446	47.5
112.04758	1.2
113.02375	2.6
113.06027	4.5
115.03926	14.5
117.07027	0.9
119.04962	2.0
119.08569	2.4
121.06510	2.2
121.10191	1.3
121.66576	0.9
123.04453	3.9
125.06031	2.3
127.03885	1.7
129.05479	13.8
131.04980	1.5
131.08609	1.2
133.10155	1.7
135.04439	1.9
137.05986	4.9
139.03828	2.2
141.05544	1.4
143.03404	8.1
145.04962	1.7
145.06474	2.2
145.10219	1.9
147.11737	1.5
149.05983	2.9
151.03938	1.8
151.07565	3.5
153.05479	6.3
153.06854	1.5
155.08546	1.8
157.04976	1.6
159.06519	1.2
161.04489	3.3
161.05821	1.1
163.07582	1.4
165.05556	1.8
165.07031	2.4
167.65233	1.1
171.06532	58.1
172.06932	1.6
173.13237	1.2
175.11169	1.2
177.05545	1.2
179.07089	1.2
181.06447	1.6
183.08057	3.1
195.06664	1.4
197.08212	1.2
199.06096	1.2
207.06409	1.0
211.07390	4.7
225.07503	1.5
239.06989	1.6
243.10182	2.8
271.09726	4.6
283.97598	1.0
285.09616	2.2
303.05261	2.2
303.10809	15.3
303.20242	1.3
303.23279	2.9
304.11292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.01874	3.0
55.05518	17.0
57.03436	10.6
61.02916	2.1
65.03934	2.8
67.05502	8.6
69.03078	1.7
69.03432	20.2
69.03807	1.2
71.01370	5.0
71.04989	4.3
71.31645	1.1
73.02919	4.4
79.05499	3.0
81.03417	6.5
81.07047	2.9
83.04984	100.0
84.05304	1.8
85.02908	45.3
85.06582	1.0
87.04471	3.4
91.05506	2.5
93.03439	1.3
93.07050	2.2
95.04968	5.9
95.08616	1.5
97.02893	25.1
97.06535	3.0
99.04455	4.7
101.06050	5.1
103.05501	1.4
104.84157	1.0
107.04965	2.3
107.08623	1.3
109.02884	3.0
109.06530	2.9
110.07178	1.7
111.04446	53.1
112.04744	1.0
113.02438	2.4
113.06010	2.3
115.03931	9.9
119.04980	1.3
121.06460	1.9
123.04464	2.6
123.22462	1.1
125.06013	3.2
127.03930	3.2
129.05481	14.0
135.04454	1.9
137.05983	3.7
139.03920	3.5
143.03372	5.9
145.10118	1.7
149.05968	3.7
151.03941	1.5
151.07536	2.6
153.05508	7.4
153.06654	1.5
161.04475	1.3
165.05618	1.5
165.06989	1.6
171.06535	55.6
172.06926	2.2
177.05489	1.4
179.07158	1.2
181.06630	1.2
183.08090	1.8
199.06290	1.6
199.52472	1.1
200.08128	1.1
207.06673	1.3
211.07510	2.5
213.05556	1.4
225.07529	1.8
243.10402	1.6
271.09705	2.6
303.05197	1.4
303.10684	12.9
303.20786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
50.72456	1.7
52.98045	2.4
53.03941	4.0
54.73912	1.9
55.01873	3.7
55.05511	14.0
57.03434	7.1
57.07070	3.0
59.05014	2.4
59.44648	1.9
65.03947	3.2
67.05507	16.9
69.03429	19.0
69.07076	12.2
71.04995	64.3
79.05492	13.2
81.03419	2.3
81.07059	36.8
83.04982	26.2
83.08627	7.3
85.02898	15.7
85.06561	3.4
91.05496	23.5
93.07046	33.2
95.04972	11.2
95.08607	27.9
97.02903	4.9
97.06554	8.4
97.10177	3.7
99.08079	12.3
105.07030	60.1
107.07874	2.7
107.08589	31.7
109.06532	7.2
109.10155	20.9
111.04446	12.0
111.08083	5.5
113.09682	2.3
115.03917	3.2
115.05457	4.4
117.07030	2.9
119.08572	28.4
121.06490	5.1
121.10130	14.2
123.08086	9.0
123.11732	4.5
125.09619	16.5
127.07564	4.3
127.11202	100.0
128.11539	2.7
129.07033	2.7
131.08582	13.2
133.10129	76.6
134.10458	3.0
135.08040	10.3
135.11676	10.5
137.09639	3.7
141.06970	2.4
142.07791	4.0
143.03351	2.1
143.08586	8.0
144.09343	2.3
145.10136	25.3
147.08031	3.2
147.11679	18.8
149.09639	2.8
149.13264	4.6
151.11172	4.7
153.09001	2.3
155.08635	4.5
155.10667	54.7
156.09364	2.6
157.10127	15.8
159.11723	18.7
161.09593	4.9
161.13272	8.6
163.11174	4.8
169.10149	6.0
171.06525	12.9
171.11725	7.8
173.13297	8.7
175.11238	3.1
175.14839	5.1
185.13310	3.3
185.84766	1.9
187.14839	7.9
189.16328	2.9
191.14363	3.1
197.13374	2.9
199.14832	21.3
201.16435	3.4
205.15862	2.4
211.14838	2.2
213.16354	3.8
215.18018	2.8
217.15887	35.9
218.16153	2.4
221.15396	2.6
227.18074	2.1
257.22604	2.1
267.21091	4.3
285.19458	2.8
285.22116	15.0
303.10690	3.7
303.16031	6.1
303.19794	1.8
303.23166	49.9
304.23495	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05507	1.4
56.23019	1.3
57.03431	6.4
57.84257	1.3
58.02979	1.3
58.06589	2.4
60.04535	11.0
61.02923	4.1
69.03432	15.7
69.07072	47.6
69.94923	4.8
71.01334	1.7
71.05005	2.6
71.08636	23.2
71.33680	1.2
73.02909	3.2
79.82490	1.5
81.03431	9.9
83.08634	1.6
84.04540	2.3
85.02909	79.9
86.02426	9.0
86.06093	1.3
91.06222	1.5
96.08141	3.9
97.02899	53.8
97.06537	4.8
99.04469	3.5
103.03946	7.0
109.02881	13.9
110.02438	1.5
114.09166	17.3
127.03922	14.0
137.12265	1.4
138.09114	3.7
142.08644	100.0
143.09026	2.6
145.05038	7.2
145.06009	1.4
156.10164	3.2
161.90108	1.3
180.10155	1.6
184.09695	92.2
185.10019	3.6
208.09686	19.8
220.09726	2.0
250.10834	11.2
286.12979	2.5
304.14011	4.5
305.15714	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89114	1.1
53.03947	1.7
53.93390	1.4
55.01871	2.0
55.05510	2.0
57.03431	7.8
57.22442	1.1
58.06598	2.6
60.04533	10.7
61.02921	4.8
68.62410	1.1
69.03435	18.9
69.07070	47.7
70.06583	1.8
70.25391	2.8
70.25759	2.7
71.05009	2.1
71.08633	19.9
72.08132	2.8
73.02935	2.3
79.05480	1.9
79.08262	1.2
81.03411	8.5
83.01359	1.4
84.04506	4.3
85.02909	76.6
86.02440	7.6
86.03262	1.3
86.06055	3.3
87.04420	1.2
91.03977	1.3
96.08125	4.0
97.02898	53.3
97.06549	7.4
99.04459	3.4
103.03941	6.8
109.02868	14.2
113.39338	1.2
114.09175	19.8
115.09563	1.2
120.08109	1.4
123.04452	2.5
124.06953	1.1
124.07619	12.7
126.09206	1.8
127.03926	17.5
130.06531	2.3
138.09138	4.6
142.08640	100.0
143.08978	3.4
145.04971	7.9
146.05974	1.5
152.03368	1.4
153.01842	2.8
154.11977	1.1
156.10172	4.0
167.07034	1.5
180.10323	1.3
184.09703	89.6
185.10112	2.9
208.09685	19.9
220.09677	2.3
231.06598	1.9
238.10803	1.8
245.14885	2.3
250.10730	10.5
259.05951	1.6
286.12897	3.8
304.14090	2.8
305.15573	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	304.1657
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
50.46890	0.4
53.03955	0.7
55.05515	15.1
56.05037	0.5
57.05817	1.9
62.29809	0.4
67.68868	0.4
69.03452	0.6
72.08159	100.0
73.08489	1.3
81.03427	1.0
83.29269	0.4
84.08125	0.5
84.13010	0.4
85.02898	0.9
91.05490	0.7
98.06054	1.6
99.09220	1.6
102.73119	0.4
115.05379	0.9
116.07113	2.4
117.05758	0.9
117.07016	1.0
118.06551	8.5
120.08163	0.7
127.03923	0.8
127.08691	4.1
130.06546	8.8
132.08096	16.9
137.06003	0.6
142.06535	3.3
143.07307	1.3
144.08090	17.2
146.06018	33.8
147.06334	1.0
148.26694	0.5
151.03860	0.7
153.01860	0.6
159.09183	29.0
160.07579	1.4
160.09531	0.9
160.88232	0.4
170.06015	8.7
187.08629	0.6
188.07079	64.8
189.07407	2.3
192.06377	0.5
195.34856	0.4
205.09737	44.0
206.10069	1.4
229.08350	0.5
230.08147	0.6
242.45718	0.4
258.16312	0.5
259.14359	1.0
287.13922	11.3
288.14270	0.5
304.16513	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	304.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	7.3
58.06600	3.5
60.05656	3.1
68.06908	1.1
69.07068	2.7
69.67809	1.0
70.06597	12.3
72.08159	2.1
74.06091	21.3
75.21990	1.2
75.24012	1.5
84.03501	1.2
84.04528	8.2
84.08145	5.7
85.02880	1.3
86.09711	100.0
87.10020	2.8
88.04002	4.5
93.35648	1.3
95.04971	1.4
95.06059	1.6
96.08154	1.2
98.97598	3.2
100.36622	1.2
101.07141	10.0
102.05540	1.7
109.06544	1.6
110.07163	6.2
111.07411	1.2
114.05539	1.8
114.10307	1.3
116.07100	3.2
116.98679	1.6
120.06602	2.7
124.07599	2.3
127.03934	1.5
127.05061	2.8
129.10262	2.5
130.04985	2.2
132.08429	1.4
132.10219	3.3
141.10332	3.1
142.08653	1.9
142.12331	4.0
143.08220	1.8
143.11835	2.6
145.06102	1.4
153.01854	3.7
156.10251	1.6
157.13380	23.2
172.94388	1.6
173.05553	1.4
174.09119	6.3
175.11916	5.0
183.11339	2.2
185.12921	8.9
187.14423	42.7
190.95554	1.8
191.10239	2.6
201.12364	16.2
201.14111	1.9
203.13873	2.4
215.13963	12.1
229.11935	2.8
286.17621	4.1
304.10956	4.6
304.15991	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23377	0.4
54.41731	0.5
55.05509	1.5
55.55525	0.5
56.05041	11.7
57.07080	8.1
58.06607	6.2
59.04998	0.6
60.04521	2.4
67.05502	1.6
68.05029	0.7
69.07072	1.2
70.06602	0.6
71.05596	0.4
71.08635	3.8
71.30193	0.7
72.04551	0.4
74.05662	0.6
74.06084	10.4
79.05491	1.2
79.23551	0.5
81.07056	1.8
83.08620	0.7
85.06553	0.7
85.10186	2.4
86.06062	1.6
88.07635	43.4
91.05475	1.1
91.72811	0.5
92.73623	0.6
93.07043	1.9
95.08617	1.8
97.10135	0.6
102.91071	0.5
104.07069	0.6
105.07040	1.4
105.82407	0.5
109.06517	1.1
118.08659	7.6
119.08604	1.2
121.06506	0.9
121.10142	0.6
122.08155	7.8
123.11763	0.6
125.09621	1.0
129.07019	0.7
133.10149	0.9
135.08057	1.3
145.10092	0.8
147.11629	0.6
161.09674	0.6
163.95631	0.5
174.65149	0.4
179.08659	0.5
184.20700	0.6
186.30774	0.5
230.07906	0.4
254.30478	0.6
256.26358	37.6
257.26669	2.2
268.26376	0.7
286.24466	0.6
286.27481	2.6
287.20108	1.1
304.28470	100.0
305.17603	0.8
305.21063	1.9
305.28812	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	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43847	3.1
56.05037	25.5
56.11675	2.4
57.07075	29.6
58.06599	17.1
60.04532	3.6
69.19352	21.0
71.08619	22.4
74.06081	30.2
76.89475	2.9
80.09922	2.9
85.10180	9.7
86.06071	4.8
88.07638	4.3
102.97122	3.1
118.08651	10.8
122.08146	52.6
205.55219	3.1
213.89981	2.8
256.26495	6.2
272.10236	3.0
291.17035	2.8
304.28458	100.0
305.28821	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	305.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46289	2.9
55.01871	8.0
56.96563	14.3
68.03595	3.5
70.53545	10.1
83.01330	3.7
84.04506	10.2
84.08148	96.2
85.02914	3.2
95.01366	4.6
98.97588	28.2
101.07133	9.7
102.26244	3.0
110.97515	6.0
111.00802	4.7
112.11234	19.0
119.01935	4.6
124.07578	6.1
124.49367	3.3
128.98607	9.6
143.03397	5.7
143.08167	4.0
154.59309	3.4
158.05847	3.6
158.99654	5.2
159.03288	5.6
160.76988	4.0
161.02951	12.1
172.94331	3.3
177.00699	5.3
213.12332	28.0
219.01801	10.6
237.02844	15.3
241.15479	37.8
259.14639	4.0
305.12329	100.0
305.15469	5.7
323.10141	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	305.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59630	0.3
55.01884	0.3
55.05506	0.6
56.96568	11.5
60.04536	0.4
66.83300	0.3
68.63001	0.4
69.03422	0.5
70.06593	0.9
70.98126	3.9
71.29945	0.5
71.95273	1.3
72.08150	0.4
72.96047	0.6
74.06075	0.4
74.97620	0.4
81.04535	0.6
83.06111	0.4
84.08144	2.3
84.96041	0.8
85.02924	0.8
86.09704	0.7
88.99146	1.3
95.01357	0.3
95.06106	0.6
97.02891	0.8
98.97588	14.6
101.00904	1.1
110.97548	1.5
112.99178	0.3
115.02428	0.4
116.98618	7.2
119.01896	1.8
120.17559	0.3
123.04397	0.3
124.03971	0.4
124.95492	1.0
124.99229	0.5
125.07159	0.8
126.97024	0.4
128.98584	2.2
129.10257	0.5
130.93237	0.4
131.00166	0.8
131.01933	1.4
134.99666	2.3
140.98596	0.4
141.06529	0.8
142.96559	1.3
143.00166	1.4
143.01933	0.7
143.05568	0.5
143.08159	3.3
144.06635	0.3
144.98125	0.5
145.01723	0.5
145.03471	0.8
146.91905	1.7
146.99663	2.2
148.94379	0.3
149.01265	0.4
154.96602	0.4
155.01933	1.0
156.98083	0.4
157.03430	0.6
158.99684	1.4
160.97618	0.9
161.00124	0.4
161.01221	2.0
161.02982	1.1
161.06596	2.1
164.92929	0.8
165.00722	1.0
170.96004	0.7
172.94403	1.2
172.97595	2.1
173.01418	0.4
173.02960	1.3
173.12984	0.8
174.03908	2.6
174.97818	0.5
174.99213	1.6
175.04532	0.4
177.00792	1.1
179.07684	0.5
185.01331	0.5
185.02959	0.8
185.06558	0.8
186.99133	0.5
188.97064	2.1
189.00737	1.0
190.95422	1.3
190.98703	2.8
191.02315	0.6
192.98744	0.4
193.00266	1.8
197.03050	0.5
197.06647	0.6
199.04303	0.4
199.08217	0.4
201.00803	0.6
202.98686	1.3
203.02309	1.1
203.04059	1.2
203.06032	0.3
203.07620	1.8
205.00253	1.3
206.98152	1.2
207.01857	0.5
208.96422	0.4
208.99718	0.5
214.95508	0.4
214.98688	1.1
215.04190	0.4
215.07571	2.2
216.98682	0.6
219.01775	0.6
220.99734	1.2
221.01620	0.4
221.05125	1.3
223.01305	1.2
227.07622	0.4
230.98143	1.5
232.96419	1.9
232.99640	1.6
234.99747	0.6
237.02925	0.4
239.07736	0.5
244.99834	0.8
245.05083	2.0
248.99174	0.7
250.97510	0.8
251.00859	0.3
258.99838	0.4
263.00543	1.6
263.03055	1.1
264.03195	0.5
274.97620	1.2
276.74292	0.3
277.00790	0.9
279.97293	0.3
281.01764	2.6
292.98611	0.6
299.02643	0.4
305.12085	100.0
306.08322	0.6
306.12463	4.1
322.91763	0.6
323.06427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59630	0.3
55.01884	0.3
55.05506	0.6
56.96568	11.5
60.04536	0.4
66.83300	0.3
68.63001	0.4
69.03422	0.5
70.06593	0.9
70.98126	3.9
71.29945	0.5
71.95273	1.3
72.08150	0.4
72.96047	0.6
74.06075	0.4
74.97620	0.4
81.04535	0.6
83.06111	0.4
84.08144	2.3
84.96041	0.8
85.02924	0.8
86.09704	0.7
88.99146	1.3
95.01357	0.3
95.06106	0.6
97.02891	0.8
98.97588	14.6
101.00904	1.1
110.97548	1.5
112.99178	0.3
115.02428	0.4
116.98618	7.2
119.01896	1.8
120.17559	0.3
123.04397	0.3
124.03971	0.4
124.95492	1.0
124.99229	0.5
125.07159	0.8
126.97024	0.4
128.98584	2.2
129.10257	0.5
130.93237	0.4
131.00166	0.8
131.01933	1.4
134.99666	2.3
140.98596	0.4
141.06529	0.8
142.96559	1.3
143.00166	1.4
143.01933	0.7
143.05568	0.5
143.08159	3.3
144.06635	0.3
144.98125	0.5
145.01723	0.5
145.03471	0.8
146.91905	1.7
146.99663	2.2
148.94379	0.3
149.01265	0.4
154.96602	0.4
155.01933	1.0
156.98083	0.4
157.03430	0.6
158.99684	1.4
160.97618	0.9
161.00124	0.4
161.01221	2.0
161.02982	1.1
161.06596	2.1
164.92929	0.8
165.00722	1.0
170.96004	0.7
172.94403	1.2
172.97595	2.1
173.01418	0.4
173.02960	1.3
173.12984	0.8
174.03908	2.6
174.97818	0.5
174.99213	1.6
175.04532	0.4
177.00792	1.1
179.07684	0.5
185.01331	0.5
185.02959	0.8
185.06558	0.8
186.99133	0.5
188.97064	2.1
189.00737	1.0
190.95422	1.3
190.98703	2.8
191.02315	0.6
192.98744	0.4
193.00266	1.8
197.03050	0.5
197.06647	0.6
199.04303	0.4
199.08217	0.4
201.00803	0.6
202.98686	1.3
203.02309	1.1
203.04059	1.2
203.06032	0.3
203.07620	1.8
205.00253	1.3
206.98152	1.2
207.01857	0.5
208.96422	0.4
208.99718	0.5
214.95508	0.4
214.98688	1.1
215.04190	0.4
215.07571	2.2
216.98682	0.6
219.01775	0.6
220.99734	1.2
221.01620	0.4
221.05125	1.3
223.01305	1.2
227.07622	0.4
230.98143	1.5
232.96419	1.9
232.99640	1.6
234.99747	0.6
237.02925	0.4
239.07736	0.5
244.99834	0.8
245.05083	2.0
248.99174	0.7
250.97510	0.8
251.00859	0.3
258.99838	0.4
263.00543	1.6
263.03055	1.1
264.03195	0.5
274.97620	1.2
276.74292	0.3
277.00790	0.9
279.97293	0.3
281.01764	2.6
292.98611	0.6
299.02643	0.4
305.12085	100.0
306.08322	0.6
306.12463	4.1
322.91763	0.6
323.06427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.4
53.03946	1.4
55.01860	0.3
55.05505	0.9
64.16499	0.3
65.03942	0.7
67.05507	2.0
69.07064	1.0
69.40314	1.3
69.40736	1.1
71.04999	0.9
77.03937	0.8
77.06203	0.3
79.05499	1.6
80.18571	0.3
81.03434	0.5
81.07060	4.6
83.04977	0.3
83.08624	0.5
83.77425	0.3
91.05473	4.6
93.05782	1.0
93.07047	3.8
94.06578	0.8
95.04977	1.6
95.08618	2.5
96.08143	0.8
97.06544	0.6
97.41722	0.3
98.22681	0.5
105.04549	0.6
105.07013	1.4
107.08600	1.3
108.04479	0.8
108.08115	1.9
109.06521	0.3
109.10147	1.8
119.08585	1.1
121.10155	1.1
122.06025	3.1
123.08034	0.3
123.11697	0.6
124.07596	8.7
125.09614	0.4
126.05519	1.6
133.10124	0.7
135.11722	0.6
136.07578	100.0
137.07956	3.1
137.09618	0.6
138.09140	0.6
140.06999	0.9
145.10139	0.6
149.13275	0.5
150.05533	0.6
151.11070	0.4
152.07076	17.9
153.07329	0.5
159.06796	0.9
159.11646	0.8
164.07068	72.7
165.07391	2.1
170.08124	3.7
182.06525	0.8
182.08133	13.2
201.16377	0.4
244.13129	0.4
245.12776	0.6
287.13901	3.7
287.23746	0.4
305.14771	1.4
305.24655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01906	0.3
53.03948	1.1
53.26638	0.3
55.05506	0.7
57.07082	0.3
57.73804	0.2
65.03933	0.3
65.67935	0.2
67.05511	1.9
69.03429	0.6
69.07065	0.9
71.04987	0.6
71.31360	0.4
77.03920	0.5
79.05482	1.5
80.04992	0.4
81.03446	0.3
81.05822	0.2
81.07053	3.4
82.07393	0.3
83.05000	0.3
83.08638	0.6
84.36680	0.2
85.06535	0.4
91.05484	4.4
93.05790	0.6
93.07045	4.4
94.06570	0.8
95.04964	1.8
95.08600	1.9
96.08130	0.9
97.06524	0.9
97.10168	0.4
105.04498	0.6
105.07048	1.4
107.08595	1.5
108.04478	0.5
108.08102	1.6
109.06500	0.4
109.10155	1.2
111.08089	0.3
119.08571	0.9
119.33947	0.2
121.10162	0.7
122.06026	3.4
123.11679	0.7
124.07594	9.7
125.09570	0.4
126.05514	1.3
128.18843	0.3
131.08588	0.6
133.10138	0.8
135.11673	0.6
136.07574	100.0
137.07928	2.8
137.09584	0.6
138.09125	0.6
140.07050	1.2
143.10600	0.3
145.10118	0.6
147.11668	0.5
149.13260	0.5
150.04439	0.3
150.05531	0.6
151.11258	0.3
152.07066	17.3
158.06013	0.3
159.06850	0.6
159.11679	0.7
160.06387	0.4
164.07063	69.7
165.07405	2.8
166.08685	0.3
170.08134	4.1
173.13062	0.3
175.14833	0.4
177.60583	0.2
182.08131	12.0
183.08463	0.3
184.09654	0.3
205.15845	0.3
215.17885	0.3
244.13330	0.4
245.12912	0.5
287.13840	3.3
287.23489	0.2
305.07974	0.4
305.11710	0.3
305.14984	0.9
305.24689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1595
Annotation	Creoside I
Peak:m/z	Relative Intensity
55.01868	14.7
55.05507	17.8
56.96554	6.6
57.03447	36.9
58.50216	4.9
61.02930	6.2
62.88748	4.2
64.13637	5.0
65.03945	5.2
65.73898	5.2
67.05515	19.5
69.03445	31.1
69.07075	6.0
70.06595	10.2
71.04997	43.2
71.21934	6.8
73.02911	10.0
79.05499	16.9
79.40766	5.9
81.03433	14.6
81.07078	14.6
83.04975	22.3
83.08644	4.9
84.04546	4.6
84.08159	9.9
85.02907	60.8
85.06544	13.2
85.65678	4.6
86.09717	5.6
86.42381	5.0
91.05482	11.2
93.07051	5.9
94.06583	6.2
95.01322	9.7
95.04967	49.2
95.08618	6.7
95.22651	4.8
97.02906	21.7
97.06555	10.3
97.10154	12.6
99.04469	10.7
103.03928	7.9
105.07034	6.3
107.04954	7.6
107.08606	41.6
108.08131	21.6
109.02920	7.7
109.06580	8.7
110.06050	20.3
120.08134	12.4
120.42316	4.8
121.06505	4.9
123.04415	6.5
124.07616	14.1
125.05985	12.1
125.09645	66.2
127.03951	17.4
130.39723	5.4
136.06128	5.6
136.06494	5.7
136.07585	100.0
137.05959	9.2
137.09634	7.8
142.08635	7.7
143.07079	7.4
143.08342	6.7
143.10695	74.4
144.04779	8.0
145.05005	9.6
146.06015	11.6
149.02367	6.9
153.01846	9.2
154.08507	5.7
159.08147	5.3
164.07037	39.7
167.10696	42.3
197.10753	5.5
201.96201	5.4
209.11723	11.0
226.10944	11.1
235.15244	5.0
241.09760	10.2
241.13298	25.5
251.13007	6.8
259.06000	7.8
259.14417	30.6
269.12885	37.0
287.10617	8.3
287.13898	52.1
305.11340	18.3
305.14835	86.7
306.09979	6.2
306.15240	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	305.2475
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
51.09206	1.7
53.03952	3.3
55.01877	2.2
55.05508	15.7
57.03441	2.5
57.07075	5.5
59.05003	8.2
65.03957	1.6
67.05499	22.4
67.16651	1.5
69.03434	6.0
69.07066	22.0
70.77738	3.4
71.04990	16.3
71.08630	2.0
76.07926	1.6
79.05499	22.2
81.07056	80.2
83.04998	5.2
83.08629	9.8
84.80588	1.7
85.06557	8.1
86.80458	1.6
91.05475	17.0
93.07040	76.7
94.07401	2.1
95.04964	4.0
95.08604	48.7
97.06543	6.3
97.10187	8.3
99.08098	14.8
105.07031	35.8
107.08597	100.0
108.08938	2.6
109.06528	7.1
109.10159	31.1
111.08099	4.1
111.11678	2.3
113.09664	3.6
117.07027	3.1
119.08578	42.5
119.09438	2.4
120.08961	2.2
121.10145	46.8
123.08015	2.9
123.11723	11.3
125.09628	11.5
127.07561	7.7
127.11193	13.3
129.06990	2.9
131.08568	6.7
133.10110	16.7
135.11678	18.7
137.09677	5.1
137.13277	6.2
139.11148	3.7
143.08565	3.3
143.10672	4.2
145.10126	21.6
147.11671	28.6
149.13257	88.7
150.13680	3.6
151.11136	5.8
153.12752	2.0
154.08723	1.8
155.10678	6.2
157.10167	7.8
159.11728	17.9
161.13248	11.5
163.14841	5.0
165.12782	2.3
169.12233	9.1
171.11787	5.3
173.13307	8.8
175.14865	4.7
177.16417	2.8
179.03305	1.8
179.14445	2.0
183.13817	2.8
185.13287	3.2
187.14836	3.8
189.16435	5.8
193.16013	2.0
199.14912	8.4
201.16376	30.6
203.17960	10.1
213.16447	6.2
215.17911	11.1
217.19540	3.9
219.17422	5.8
229.19588	2.5
244.22835	2.1
259.24213	2.4
269.22675	13.4
287.23676	26.9
305.10303	3.4
305.18008	2.0
305.24866	31.1
305.28036	3.7
306.25781	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	305.2473
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.76141	2.0
53.03935	3.1
55.05514	22.1
57.07072	13.3
59.05003	12.5
60.27000	1.9
67.05499	24.0
67.34256	2.3
69.03432	10.2
69.07075	31.6
70.06593	13.2
70.53078	1.9
70.68040	5.1
71.01371	2.2
71.05000	23.2
71.08640	5.1
74.84660	1.8
79.05499	29.8
81.07059	93.6
83.04993	6.9
83.08628	9.5
84.08147	2.4
85.06525	7.2
88.07632	5.6
91.05482	24.1
93.07047	89.9
95.04979	5.9
95.08607	65.4
97.06526	10.9
97.10165	13.3
99.08099	13.1
102.09167	2.8
105.07036	52.1
105.21399	2.1
106.07374	2.1
107.07856	4.7
107.08598	100.0
109.06527	9.0
109.10156	49.1
111.08078	6.9
111.11712	3.4
115.07611	2.8
117.07021	5.1
119.08595	44.1
121.06502	3.1
121.10142	61.6
123.08086	5.2
123.11720	21.8
125.09651	15.0
127.07613	3.9
127.11212	17.4
129.06990	4.1
131.08578	12.1
132.10252	3.1
133.10133	28.6
135.08061	4.0
135.11700	28.1
137.09630	8.5
137.13266	7.9
139.11134	3.3
142.07826	2.7
143.08603	2.7
143.10661	10.1
145.10129	23.3
146.11792	6.4
147.11690	37.7
149.13254	70.1
151.11177	6.8
153.12758	3.2
155.10594	5.2
156.77942	2.3
157.06506	2.8
157.10103	10.3
157.12170	2.4
159.11705	22.7
161.09567	2.6
161.13258	15.8
163.14850	11.3
165.12804	3.0
169.12256	3.2
171.11707	6.4
173.13226	15.1
175.14825	9.1
177.12781	3.1
177.16373	6.0
185.13307	7.9
187.14832	7.0
189.12688	2.3
189.16499	10.1
191.14314	2.4
191.17944	3.7
195.17445	3.9
199.14847	7.2
200.20050	10.6
201.16374	31.4
203.17921	14.2
205.15860	2.0
213.16400	7.1
215.17918	7.6
217.19508	3.2
219.17438	5.5
219.20909	2.6
229.19493	3.4
244.22694	25.3
245.07985	3.9
269.22665	13.8
269.27689	2.0
277.10577	2.7
287.23639	29.6
305.10306	18.7
305.24841	33.8
305.28058	4.0
306.26419	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	305.2476
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
51.19509	1.9
53.03953	2.7
55.05514	15.8
56.43788	1.9
57.07085	3.0
59.05014	2.3
62.53054	1.7
65.03926	2.4
67.05510	39.3
69.07067	15.7
71.05007	3.1
72.04520	34.7
73.04851	3.4
79.05498	67.3
81.07059	54.2
83.05019	2.6
83.08624	9.5
91.05489	25.2
93.07052	100.0
94.07420	2.2
95.04985	6.4
95.08616	38.9
97.06516	3.8
97.10183	6.6
101.06013	2.8
105.04539	2.1
105.07041	25.4
106.07431	2.6
107.08601	64.8
108.08957	2.5
109.06480	3.8
109.10178	16.9
111.08071	2.4
117.07072	4.5
119.08569	17.7
121.10148	47.1
123.08043	2.9
123.11742	4.0
125.09655	6.6
129.01819	2.6
129.07045	3.5
131.08594	7.3
133.10120	20.8
133.11028	2.1
135.08102	2.3
135.11699	63.3
136.12114	2.1
136.46829	1.8
137.09636	2.5
143.08559	5.6
145.10164	9.5
147.11690	18.1
148.12050	2.5
149.09641	3.5
149.13266	44.7
151.11240	2.6
157.10132	3.8
159.11726	7.5
161.09642	2.6
161.13315	15.5
163.11240	3.4
163.14815	13.4
171.11748	5.8
173.13341	5.8
175.14857	8.2
177.12772	3.9
184.86789	2.0
185.13254	4.1
191.14508	1.8
199.14943	4.3
213.16389	3.1
217.19589	2.5
231.20946	3.5
241.19524	7.6
249.20511	3.6
259.20596	14.7
263.19901	2.5
288.53745	1.7
305.21130	3.1
305.24576	35.3
305.26947	36.3
306.24966	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	306.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05503	0.4
56.05030	0.3
57.03429	1.5
57.14773	0.3
58.99585	0.7
59.05000	1.0
60.19097	0.3
61.02922	2.0
65.03951	2.5
67.05485	0.3
68.05032	2.2
69.03434	6.7
69.79852	1.1
70.06574	0.4
71.04993	1.0
73.02916	1.4
79.05495	0.3
81.03413	1.5
81.07049	0.4
82.06606	0.3
84.04514	2.7
84.08150	9.7
85.01143	2.1
85.02910	14.5
86.06074	0.6
86.09711	0.8
87.04494	1.6
89.94034	0.3
91.03965	0.7
97.01114	0.3
97.02894	2.9
98.00637	2.4
98.22695	0.4
98.97598	0.3
99.02679	3.8
99.04467	0.7
101.02386	0.9
103.03934	1.1
109.02893	1.8
109.06477	0.4
111.00822	0.5
113.02961	2.3
114.03718	0.4
115.03939	0.7
116.01697	0.3
119.38482	0.3
125.02334	0.7
126.03745	27.6
126.09164	0.7
127.03886	2.3
127.04554	2.3
130.06505	0.6
132.06531	0.4
137.05991	0.4
141.01817	0.5
141.13840	0.7
143.03392	0.4
144.04787	100.0
145.05064	4.0
146.06148	0.3
158.05962	0.3
164.08263	0.4
169.13391	1.2
171.02893	1.1
172.04178	0.3
173.04436	0.4
185.04420	0.8
186.05847	2.9
188.03784	1.5
189.03877	0.3
215.13905	3.9
243.17046	5.8
259.99585	0.3
260.09363	0.3
262.11105	0.3
263.49466	0.3
275.07690	0.4
288.08963	0.8
289.12021	0.4
306.10031	11.6
306.15530	0.5
307.09955	0.8
307.13303	0.5
307.16827	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54215	0.1
51.02376	0.1
52.55503	0.1
53.03952	0.1
55.01867	0.1
55.05505	0.2
56.43062	0.1
57.07065	0.2
58.02961	0.2
65.03926	0.2
66.04713	0.3
67.05504	0.3
68.54578	0.1
69.07070	1.4
69.66074	0.1
69.66479	0.3
71.04994	0.1
71.08618	0.1
71.52278	0.1
72.08127	0.1
72.94680	0.1
74.90676	0.1
77.03912	0.1
79.05499	0.8
81.07069	1.2
83.08620	0.3
84.08133	0.1
86.06047	0.1
91.05489	0.8
93.07042	0.7
94.04192	2.3
95.04974	0.1
95.08606	0.3
97.06531	0.5
100.07623	0.4
105.07039	0.3
107.04958	0.3
107.08615	0.8
109.06529	0.3
109.10159	0.6
111.08066	0.1
111.11742	0.2
114.09187	0.6
121.10211	0.1
122.03658	7.4
123.03951	0.1
123.11761	0.1
126.09116	0.4
133.10117	0.7
135.11707	1.4
137.05986	100.0
138.06317	2.8
138.07404	0.1
138.12770	0.2
147.11719	0.3
151.11200	0.4
153.12746	1.3
164.14378	0.1
165.12735	0.2
170.15421	2.8
171.15448	0.1
182.15424	2.2
182.16939	0.2
183.15764	0.1
306.20651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
53.42341	1.2
55.01878	7.8
55.05518	11.7
55.65280	1.3
57.03428	1.3
57.07087	8.0
60.69460	1.4
64.59124	1.3
67.05511	18.7
69.03424	3.6
69.07076	15.1
69.26408	9.6
70.06596	1.8
71.05013	1.7
71.08643	15.2
79.05503	15.1
81.07069	24.4
83.04974	2.4
83.08618	3.3
84.04536	1.5
85.06541	3.9
86.06032	1.7
86.09711	1.4
90.42644	1.5
91.05481	13.1
93.07054	26.8
94.04150	1.8
95.04973	24.5
95.08620	33.9
97.06548	8.3
97.10163	2.9
99.08099	9.8
100.07613	2.9
105.07038	13.2
107.08597	17.2
109.06526	37.3
109.10173	9.5
111.08105	3.3
112.07651	1.5
117.07030	2.5
119.08588	15.5
121.06512	8.6
121.10142	7.9
122.03690	2.5
123.08073	3.4
123.11717	1.8
131.08572	8.4
133.10149	6.6
135.08066	7.7
135.11729	3.9
137.05989	38.6
137.09624	9.6
138.06354	2.2
139.07503	2.0
139.11169	1.9
143.08606	1.5
145.10138	5.9
147.08069	1.4
147.11702	6.2
149.09645	2.9
149.13232	1.9
151.14825	2.4
153.12782	1.9
154.12244	9.0
155.08557	1.4
157.10172	3.2
159.11690	3.3
161.13287	1.9
163.11230	6.7
163.14844	5.2
165.12769	100.0
166.13110	4.6
168.09433	1.4
170.15421	1.6
173.13287	8.9
175.11153	6.5
175.14815	2.0
177.12776	5.8
179.14340	2.9
184.13335	4.8
184.14931	1.3
187.14767	2.3
189.16556	1.4
191.14326	21.6
192.13774	1.9
196.43254	1.3
197.13168	2.6
201.12788	1.9
205.15958	2.7
208.16985	4.6
215.14211	1.7
221.15399	4.3
250.18246	2.1
261.22052	9.4
271.20529	6.7
288.20239	2.1
289.21637	75.8
290.21988	4.0
306.21503	1.7
306.24301	48.0
306.27817	3.2
306.31787	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	306.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01868	7.1
55.05513	9.9
57.03429	2.8
57.07079	7.9
67.05502	23.1
69.03419	3.6
69.07084	20.2
71.04993	2.8
71.08630	14.2
71.29920	3.0
72.04511	3.8
79.05501	18.5
81.07060	25.4
83.05006	3.0
83.08601	4.4
85.06548	3.2
91.05492	11.6
93.07054	24.9
95.04973	22.7
95.08607	37.3
97.06548	10.7
97.10160	4.6
99.08122	7.1
105.07028	18.9
107.04929	2.5
107.08583	17.6
109.06516	32.8
109.10164	13.7
110.06808	2.7
117.07040	4.8
119.08584	16.0
121.06523	8.2
121.10141	7.9
121.13567	2.4
123.08080	7.1
125.09625	5.0
131.08582	9.7
133.10127	10.5
135.08047	5.3
135.11560	2.3
137.06006	5.0
137.09636	11.3
143.08582	3.6
145.10153	11.3
147.11705	5.4
149.09631	3.7
149.13255	4.0
153.12698	2.5
154.12262	7.2
157.10149	4.7
159.11758	4.5
161.09702	2.5
163.11148	5.0
163.14783	3.7
165.12759	100.0
169.10164	2.7
173.13322	8.1
175.11179	8.2
177.12724	3.5
183.11633	3.9
184.13297	5.3
188.99348	2.2
191.14325	24.6
195.11629	2.9
201.12808	3.2
208.17072	3.3
221.13148	2.3
221.15320	2.7
261.22122	5.1
271.16840	2.2
271.20563	3.1
289.18356	4.6
289.21637	62.4
290.21979	3.6
294.70474	2.8
306.20984	5.3
306.24252	48.2
306.27722	5.7
307.15289	3.1
307.20929	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01873	1.3
55.05515	8.3
56.05038	0.2
56.05844	0.3
57.03424	0.3
57.07076	1.2
60.04524	0.2
61.50484	0.2
65.03943	0.7
67.05508	11.6
68.05817	0.2
69.03422	0.3
69.07072	8.5
71.08623	0.3
71.30666	0.3
72.04505	0.5
79.05499	3.2
80.05013	0.2
81.03434	0.2
81.07062	9.5
82.06566	0.4
83.04962	0.4
83.08617	2.8
84.04510	0.2
85.05289	2.7
85.06542	0.3
86.06088	1.0
91.05489	1.7
93.07049	2.8
95.04970	0.7
95.08614	6.1
96.08128	0.5
96.08879	0.1
97.06533	0.6
97.10172	1.0
98.06060	16.5
99.06857	0.3
105.07030	1.5
107.08598	1.5
108.08092	0.2
109.06505	0.4
109.10165	2.1
110.09669	0.7
111.06796	0.2
111.08112	0.2
112.07613	2.3
117.07001	0.2
119.08585	1.4
121.06517	0.3
121.10142	1.0
123.08044	0.4
123.11716	0.4
123.38427	0.1
124.07580	0.3
124.11277	0.4
125.08376	0.3
125.09590	0.2
126.09120	0.6
126.09970	0.2
131.08554	0.7
133.10110	0.9
135.08020	0.2
135.11694	0.5
137.05986	0.9
137.09624	0.5
137.13257	0.2
138.09129	0.6
140.10759	0.8
143.08562	0.2
145.10130	0.3
147.11688	0.5
149.09619	0.3
152.10701	0.3
154.12274	0.7
156.00549	0.2
159.11667	0.3
161.13268	0.3
163.14856	0.3
165.12674	0.2
165.48155	0.1
166.12285	0.3
168.13832	0.7
180.13872	0.3
182.15414	0.5
194.15471	0.3
196.16949	0.9
203.14409	0.2
208.16989	1.0
219.17409	0.3
222.18549	0.5
224.20134	0.3
236.20062	0.6
250.21680	0.4
257.19034	0.4
275.20102	1.7
289.21609	0.2
306.27908	100.0
307.22644	0.7
307.28223	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	307.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57281	1.0
56.27346	1.1
56.96566	2.0
63.93723	1.0
67.51154	1.2
68.59324	1.0
69.03395	1.0
70.44503	3.1
81.03408	2.0
82.99863	3.3
85.02912	1.8
89.00853	1.7
97.01401	2.2
97.02890	1.6
99.04469	1.1
101.00880	48.3
102.00964	1.6
108.19489	1.5
110.97577	1.4
113.00866	5.6
115.02428	17.5
117.04047	1.1
119.01925	100.0
120.01991	4.1
126.98825	1.2
127.03893	2.7
128.98557	1.2
129.03941	5.8
131.01898	11.5
132.01926	1.1
133.03476	16.3
134.03517	1.7
135.05022	2.1
137.02965	16.0
142.03401	1.4
143.01892	9.8
144.99837	3.5
145.03473	4.7
147.01434	2.5
147.05049	6.5
149.02986	2.8
151.04498	2.1
155.01862	3.0
157.03468	4.4
159.01379	4.0
161.02985	17.5
168.99846	11.9
173.02983	6.1
175.04524	2.8
177.02448	13.1
185.02925	2.1
187.00888	32.4
188.01062	1.9
190.98589	1.1
191.03995	2.6
196.99286	9.0
201.02460	3.9
203.03954	1.6
205.01964	12.7
215.00375	39.3
216.00479	3.4
217.01855	1.5
217.05418	1.4
219.03511	11.5
221.05031	2.9
229.01950	16.4
229.03983	1.8
230.02135	1.7
233.01476	4.1
247.02992	68.2
247.06802	2.1
248.03204	4.5
265.04062	13.5
265.07657	3.8
270.04706	1.9
283.05200	1.6
289.04099	8.0
307.04944	5.8
307.08224	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.4
58.17227	1.0
58.99887	1.3
61.78703	1.0
69.77929	5.1
82.99844	6.2
87.92732	1.0
89.00941	1.1
97.01410	4.3
98.97579	2.5
100.99129	1.4
101.00883	51.2
102.00980	2.1
103.02435	1.7
110.97556	1.4
113.00863	5.7
115.02435	19.7
117.04002	1.2
119.01925	100.0
119.35751	0.9
120.02007	5.2
126.98797	1.5
128.98575	1.8
129.03992	6.7
131.01915	15.8
133.03473	20.5
137.02975	15.4
143.01906	10.3
144.99828	3.5
145.03484	8.0
147.01334	1.4
147.05040	6.6
149.02950	4.5
151.04556	2.0
155.01912	3.9
157.03491	5.1
159.01410	5.8
161.02971	19.3
163.04500	1.5
168.99832	14.0
171.01379	1.2
172.99347	1.2
173.02968	5.8
175.04549	5.1
177.02437	13.7
178.02550	1.6
185.02895	1.7
187.00874	31.2
187.02538	2.0
187.04510	1.2
188.00983	1.4
189.02477	2.3
190.98773	1.0
191.04051	4.7
196.99367	6.5
199.00868	1.4
199.04529	1.4
201.02472	2.9
203.04086	2.0
205.01941	11.4
205.05624	1.8
207.30984	1.0
208.99666	2.7
215.00378	45.3
216.00656	3.3
217.01953	2.8
219.03566	11.2
221.05054	4.9
229.01935	21.1
230.02078	1.5
233.01471	3.6
237.04657	1.5
245.05307	1.1
247.03006	75.3
247.06757	3.7
248.03111	6.3
265.04065	12.9
265.07593	6.9
277.03976	1.1
289.03967	9.4
290.04053	1.4
307.04987	6.4
307.08319	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	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78922	4.9
56.30335	4.4
60.22390	5.2
69.86926	18.7
72.57324	7.1
81.39478	4.6
91.83437	5.0
94.40939	5.2
108.93942	5.7
133.82755	5.1
307.07684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	44.8
69.03438	4.9
70.67825	9.9
85.01414	4.4
85.02888	7.1
97.02907	7.6
98.29224	4.7
98.97585	71.5
100.99134	5.7
101.00885	12.0
110.97562	18.7
112.99122	10.3
113.13740	3.7
116.98603	21.0
119.01886	13.1
128.98599	16.9
131.00237	4.6
131.01866	7.7
133.03481	6.4
134.99739	4.6
143.00209	7.4
143.01886	5.1
145.01723	9.2
145.03415	6.8
149.15945	4.2
151.54892	4.0
152.98636	5.5
157.03464	8.0
158.99629	8.3
159.05099	4.6
161.02966	4.8
163.02779	14.8
169.04411	9.3
170.99658	8.7
172.59232	4.3
173.02960	6.9
175.04427	5.3
178.04921	13.2
181.03755	5.4
188.96976	8.4
215.00476	5.2
219.01732	21.5
221.05147	8.0
235.04996	4.7
237.02863	17.3
247.02983	10.4
247.06738	7.0
265.05521	25.9
283.06805	9.2
307.07724	100.0
325.08066	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	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
55.01871	8.6
56.96562	3.2
57.03436	11.4
60.05678	3.4
61.02939	4.6
62.52312	2.9
69.03429	39.1
70.06589	14.8
71.04995	9.4
71.30457	3.5
73.02906	4.2
81.03416	24.1
84.04501	8.1
84.08165	6.3
85.02908	50.7
87.04459	3.4
95.02111	3.0
97.02898	54.6
98.23193	3.2
99.04469	27.3
100.99160	2.9
101.00887	9.8
101.02367	3.7
103.03943	3.6
109.02896	24.2
109.94437	3.5
111.04417	5.3
114.05553	3.3
115.02435	5.2
115.03912	5.5
116.07159	5.5
117.05515	5.1
119.01924	23.5
123.04427	4.5
127.03919	100.0
132.06549	7.0
145.04980	19.8
155.02046	3.3
160.04391	3.7
161.02922	5.5
169.04936	3.3
173.03018	7.8
173.04471	3.1
177.02463	3.4
184.49741	3.2
186.07568	6.6
187.00887	6.4
202.89063	15.9
208.99738	4.8
215.00417	7.5
247.03000	16.6
275.89807	3.4
299.99768	3.2
307.04901	4.0
307.10233	80.4
307.15823	6.3
308.11282	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	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05505	1.2
56.05038	2.4
57.03437	0.5
58.06602	3.5
59.05006	3.1
61.01150	1.9
69.03432	1.0
69.07063	0.7
70.06598	0.8
70.38605	0.3
71.00365	0.6
71.03739	0.4
71.05005	0.6
72.08176	0.4
74.02453	0.3
75.04475	0.5
78.10413	0.3
81.03407	0.4
81.07059	0.4
83.01346	0.9
83.04996	1.9
84.04510	22.4
84.08146	100.0
85.02902	0.6
85.06532	0.4
85.08475	1.4
86.06070	6.6
86.06591	0.4
86.09711	5.6
87.00819	0.3
87.04465	1.0
88.03989	1.3
96.04499	0.6
98.09689	0.3
99.04495	0.4
99.09235	0.4
101.02373	1.0
101.06047	0.4
102.09222	0.3
107.08614	0.3
111.00809	1.0
111.04417	0.7
112.81196	0.3
113.07149	0.4
114.12820	0.6
114.76366	0.3
115.03931	1.4
122.07175	0.4
125.02327	1.8
127.07572	0.4
129.01857	0.7
129.05435	0.5
130.06496	0.5
130.08664	1.4
132.08432	12.1
133.04974	0.4
141.01825	1.5
141.13878	6.7
143.03392	1.0
146.06004	0.6
147.02878	0.4
147.04465	0.3
150.60341	0.3
157.01402	0.5
157.07561	0.3
158.06004	0.6
159.02914	0.3
161.04456	1.2
163.03947	0.6
164.08240	0.4
169.13370	7.2
171.02896	4.3
173.04466	0.8
175.06064	0.4
179.03679	0.3
185.04517	2.5
189.03938	0.8
198.11256	1.1
215.13916	30.5
216.14133	0.8
231.04962	0.9
243.17041	41.2
244.17349	1.3
262.11060	2.7
271.08139	0.7
275.07767	0.6
289.12082	0.5
307.09833	0.7
307.16843	11.5
308.11209	2.4
308.16586	0.5
314.12576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01873	7.5
55.05512	22.4
57.03429	8.1
57.07077	2.3
67.05503	18.3
69.03438	4.6
69.07081	7.4
71.04997	2.3
76.02217	1.4
79.05495	19.1
81.03420	4.5
81.07056	22.5
83.04983	4.4
83.08612	11.7
85.06546	3.2
91.05482	21.1
93.07051	14.5
95.04978	9.8
95.08601	16.0
97.06542	4.5
97.10168	16.6
97.48570	1.0
99.13288	1.3
101.70663	1.0
103.05484	2.5
105.04500	1.1
105.07033	10.9
107.04956	10.1
107.08594	11.7
109.06519	32.5
109.10169	7.6
111.04427	1.4
111.08109	2.8
113.06029	5.2
115.05482	1.8
117.07030	4.3
119.08595	9.3
121.06505	100.0
121.10175	3.8
122.06885	2.1
123.04450	1.1
123.08060	14.0
123.11705	3.1
125.09613	11.0
129.07008	3.5
130.06657	1.1
130.07767	1.4
131.04930	1.6
131.08594	4.5
133.06471	1.8
133.10149	4.6
135.08054	9.2
135.11722	2.9
136.07542	1.2
136.92313	1.0
137.06012	1.7
137.09602	7.0
137.13283	1.3
141.06993	1.8
141.09158	1.9
143.08537	2.3
144.05702	1.5
145.06499	2.3
145.10188	3.2
147.08075	4.9
147.11702	2.2
149.05946	1.4
149.09628	3.3
149.13252	1.4
151.07611	2.3
151.11153	1.3
153.09076	1.5
155.08568	1.5
157.10153	1.9
159.08054	37.2
159.11662	2.2
161.09627	4.8
161.13371	1.4
163.07530	2.6
163.11182	1.1
165.09175	2.2
169.10271	2.0
171.11740	1.8
173.09605	2.9
175.11156	2.2
177.09155	2.2
185.09642	4.8
187.11235	2.0
189.07008	1.3
189.11232	3.9
189.12828	1.9
190.07719	1.1
191.08548	2.6
191.10371	1.2
197.13341	1.2
199.11090	1.8
211.11179	1.1
215.14371	3.1
217.12347	1.5
218.07300	2.9
219.08109	4.0
221.06049	1.6
233.15431	4.8
235.07599	2.3
235.13242	2.1
236.08400	2.4
243.17455	2.4
246.06775	2.1
247.07587	2.8
249.05505	2.6
251.10680	2.2
253.15810	6.8
261.09122	1.5
261.18610	2.1
263.07013	2.1
264.07828	5.2
265.08615	1.8
271.16946	10.6
275.06976	1.9
279.10181	3.7
289.08643	1.1
289.17981	34.0
290.18323	1.8
292.07300	4.7
307.09662	16.3
307.12888	2.3
307.18912	14.8
307.26419	2.0
308.10449	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	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03941	4.0
55.01865	3.6
55.05498	5.2
56.54852	1.3
57.03424	4.8
57.07076	2.0
59.04992	2.3
65.00165	1.2
66.95696	1.2
67.05510	17.3
68.37091	1.3
68.38420	1.4
69.03421	2.3
69.07069	8.6
69.16077	6.7
69.16480	2.7
71.04993	1.7
79.05499	16.7
81.03420	3.0
81.07060	21.6
83.04993	2.2
83.08610	2.9
91.05493	17.4
93.07055	18.2
95.04975	22.2
95.08608	14.8
97.06541	12.8
98.22577	1.7
103.05499	2.9
105.06385	2.0
105.07038	32.7
105.07746	1.8
107.04945	1.9
107.08581	10.0
109.06547	6.9
109.10139	6.2
115.05468	2.8
117.07021	11.7
119.08581	34.2
121.06470	4.3
121.10159	10.9
123.08078	3.4
128.06265	10.9
129.05490	2.1
129.07034	10.9
130.07747	2.4
131.08580	17.3
132.08759	1.5
133.06444	1.8
133.10136	50.3
135.08022	4.1
135.11667	4.5
141.06993	7.6
142.07794	10.8
143.08566	31.6
144.09323	6.5
145.06512	2.4
145.10118	24.9
147.08052	8.6
147.11691	5.1
149.13257	2.3
153.06963	3.7
154.07719	4.7
155.08528	7.3
156.09361	10.7
157.10130	23.0
158.10870	6.2
159.08055	4.6
159.11697	18.5
161.09573	7.3
163.11226	1.8
165.06987	4.0
166.07732	1.8
167.08542	10.4
168.09308	4.2
169.10114	19.5
170.10797	2.7
171.11681	13.6
173.09801	2.0
173.13272	12.1
178.07774	1.9
179.08566	8.6
180.09378	3.7
181.10139	12.6
182.10895	10.3
183.11684	14.4
184.12459	1.6
185.09622	2.8
185.13228	5.3
187.04921	1.7
187.11168	8.6
191.08601	3.7
192.09357	4.2
193.10136	14.4
194.10864	6.2
195.11716	14.7
196.12459	4.2
197.13245	18.8
198.13962	2.4
199.14761	4.8
202.07753	1.5
203.08478	3.3
204.09404	2.6
205.10091	4.9
206.10893	9.3
207.11707	17.7
208.12517	7.6
209.13275	16.9
210.13846	2.8
210.18053	1.4
211.14891	12.5
213.12704	1.7
215.14305	2.1
215.17976	1.6
217.10049	4.4
218.10910	5.2
219.11732	7.7
220.12437	9.5
221.13242	20.3
222.13963	6.6
223.14830	14.6
224.15462	2.0
225.16443	2.9
227.14351	2.0
229.10051	2.1
230.10851	3.0
231.11659	4.9
232.12404	6.1
233.13295	13.0
234.14037	7.8
235.14792	8.3
236.11813	1.6
237.12703	3.9
237.16415	7.4
239.18036	2.5
244.12393	3.3
245.13229	5.7
246.13985	3.3
247.14867	9.6
248.15590	7.4
249.16399	9.5
251.14441	7.4
251.17889	3.8
259.14874	10.4
260.15530	4.1
260.27814	1.5
261.16318	5.1
263.17975	25.4
264.18387	2.6
265.19543	3.2
274.17105	9.2
277.15820	1.5
279.21033	7.1
289.19470	21.8
292.18137	3.3
307.20514	100.0
308.20859	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03946	2.6
55.01874	14.2
55.05516	29.1
56.05845	1.7
57.03434	4.7
57.07077	3.3
59.04995	2.5
65.03955	1.5
66.95125	1.3
67.05505	44.6
68.05839	2.9
69.03432	3.5
69.07071	26.0
69.12344	9.9
70.07401	2.9
71.04986	4.5
71.08615	1.6
79.05493	30.4
80.05846	1.1
81.03425	4.6
81.06577	2.6
81.07059	50.3
82.07377	2.3
83.05001	5.8
83.08626	12.2
85.05301	1.4
85.06554	2.5
87.68884	1.2
91.05486	24.1
93.07044	33.4
95.04978	23.0
95.08611	36.1
96.08967	1.8
97.06536	14.7
97.10191	8.2
98.06042	7.8
99.06397	2.4
99.08115	2.3
105.07028	23.4
105.07666	2.0
107.04980	7.7
107.08601	23.8
109.06524	92.7
109.10160	12.1
110.06853	2.9
111.08076	6.7
111.11736	1.3
117.07017	6.5
119.08591	22.7
121.06512	9.1
121.10149	14.6
123.04488	1.5
123.08070	9.2
123.11754	6.1
125.09650	5.1
129.07040	3.3
131.08569	12.6
133.06514	1.3
133.10138	15.1
135.08067	6.3
135.11707	5.0
137.09612	11.2
139.11208	4.1
143.08542	2.0
145.10133	10.5
147.08098	1.8
147.11711	8.8
149.09602	10.8
149.13283	3.8
151.11227	4.4
153.09093	1.4
155.08586	1.2
157.10129	2.8
159.11678	8.3
161.09627	1.5
161.13307	5.0
163.11212	7.0
163.14882	1.3
165.12764	21.1
171.11732	3.6
173.13246	7.5
175.11176	1.7
175.14761	1.3
177.12849	1.7
179.14380	1.8
183.11746	1.8
187.14778	2.4
189.16359	1.3
191.14352	4.2
195.11601	1.3
197.01836	1.3
201.16457	1.7
203.12915	3.9
215.14363	1.7
219.17519	4.8
229.19621	2.8
233.15353	3.3
239.18141	2.5
247.20593	5.2
251.16440	22.0
251.18883	2.0
257.19052	4.8
261.22217	2.0
271.20673	1.4
275.20087	31.3
276.20367	2.0
289.21631	15.2
292.61023	1.3
307.06268	1.2
307.22739	100.0
307.28152	53.5
308.23099	6.5
308.28491	2.4
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
53.03943	6.0
54.59077	2.9
55.01868	16.8
55.05508	31.9
57.03450	4.0
57.33296	3.2
66.86237	3.6
67.05505	44.3
69.03452	3.0
69.07076	18.9
69.55004	17.0
71.20272	3.9
79.05492	55.9
79.05916	6.1
81.03402	8.7
81.07052	68.6
83.08614	19.9
84.75850	3.1
85.06557	4.9
91.05476	31.1
93.07049	44.3
95.04964	11.7
95.08605	31.3
97.06525	30.9
97.10155	14.2
98.22634	4.6
105.07012	32.0
107.04941	16.5
107.08594	50.3
109.06512	12.6
109.10159	10.6
111.08092	4.9
117.07026	15.4
119.08572	27.9
121.06478	7.2
121.10128	14.0
123.08012	6.6
123.11643	4.4
125.09597	18.1
129.07056	3.8
131.08560	14.8
133.10150	21.3
134.13225	3.5
135.08067	7.4
135.11690	10.5
137.09628	4.4
145.10133	17.9
147.08176	4.5
147.11670	16.5
149.09627	24.8
151.11162	10.5
153.09058	4.6
155.08575	4.6
159.11700	14.9
163.11198	14.6
163.14728	4.4
165.09062	5.2
171.11804	3.9
173.13255	8.5
177.12764	4.5
183.11673	3.9
185.13159	3.2
203.12747	8.3
229.19452	8.5
229.75128	3.4
239.17963	8.7
247.20615	7.9
257.19043	16.0
275.20038	100.0
276.20370	5.7
289.17847	3.5
289.21848	5.5
293.17981	3.5
307.09625	6.2
307.22739	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	307.2269
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
52.74374	0.7
53.03931	0.8
55.01878	6.6
55.05274	1.3
55.05518	13.7
57.03436	1.7
57.07074	1.1
59.04995	0.9
61.22935	0.7
61.28904	0.6
65.03940	1.6
67.05174	1.1
67.05510	14.2
69.03429	1.4
69.07075	12.6
71.04978	2.7
71.08631	1.0
79.05492	11.4
81.06583	1.2
81.07063	25.1
83.04980	2.4
83.08612	6.2
85.06553	1.2
91.05489	6.4
91.20540	0.6
93.07053	14.3
95.04984	10.4
95.08051	1.3
95.08611	17.0
97.06536	9.3
97.10159	3.6
98.22648	2.2
99.08089	0.8
105.06396	0.7
105.07052	10.5
107.04956	1.6
107.08607	10.1
109.06525	90.4
109.10165	5.3
110.06866	1.9
111.08073	1.9
117.07026	1.6
119.08586	8.0
121.06509	5.7
121.10149	5.6
123.08077	5.3
123.11720	2.6
125.09642	1.3
129.07040	0.9
131.08577	4.9
133.10153	4.4
135.08018	4.4
135.11655	2.0
137.09618	2.9
139.11174	2.2
145.10141	5.5
147.08031	1.0
147.11702	3.5
149.09654	3.6
149.13245	1.1
151.11172	1.1
157.10178	0.9
159.11707	2.8
160.90746	0.7
161.13322	1.6
163.11191	4.5
163.14841	0.9
165.12759	6.2
169.10083	0.7
171.11702	1.5
173.09764	0.9
173.13283	4.0
175.11182	1.2
177.12828	1.2
182.17276	0.6
185.13303	1.1
187.14801	1.2
191.14340	2.8
197.13239	1.0
215.14331	1.6
233.15405	1.9
239.16687	0.9
251.16428	24.8
252.16808	1.9
261.22150	2.5
265.18005	1.3
275.20279	1.2
289.21661	16.9
291.23349	1.2
307.22693	100.0
308.22986	6.0
308.25919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18721	1.3
51.02381	1.6
53.03949	2.9
55.01873	8.8
55.05510	30.6
57.03435	14.7
57.07074	5.1
59.05015	2.0
64.30034	1.3
65.03937	2.8
67.05504	72.4
68.05827	2.3
69.07069	27.2
69.55379	6.1
70.98450	1.4
71.04975	2.3
73.02918	3.1
79.05494	35.2
81.03420	2.6
81.07058	100.0
82.81252	1.7
83.04984	4.2
83.08620	13.1
85.06541	2.8
91.05480	22.1
93.07043	33.5
95.04980	4.4
95.08604	60.0
96.08989	1.7
97.06532	6.3
97.10150	6.0
98.06062	4.7
98.23405	2.1
99.04449	14.7
103.05444	1.6
105.07016	16.5
107.04933	4.5
107.08605	19.3
109.06523	20.2
109.10151	22.6
111.08083	3.1
111.11697	1.7
117.07035	7.0
119.08584	15.7
121.10146	11.6
123.08094	2.5
123.11652	7.1
125.09630	2.5
131.08559	10.4
133.10135	12.4
135.08081	3.2
135.11697	4.6
137.09627	4.2
137.13298	2.8
139.11247	1.6
143.08466	1.8
145.10130	6.7
147.11665	8.2
149.09627	4.6
149.13271	3.8
151.11150	1.9
159.11711	4.3
161.13206	4.0
163.11075	1.6
163.14847	1.6
165.12732	2.0
173.13170	3.7
175.14760	3.2
179.14255	2.1
185.13324	2.2
201.16321	2.9
203.14346	5.5
219.17426	56.0
219.19522	3.1
220.17708	2.1
235.16896	3.1
245.22704	3.2
254.25620	1.5
257.19037	3.7
258.35806	1.5
275.20087	22.5
307.22586	12.1
307.26199	31.0
307.28531	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05516	27.5
57.07075	13.4
57.99937	1.3
64.15231	1.5
67.05181	2.6
67.05509	33.6
67.05867	1.3
69.03424	4.8
69.07074	59.6
70.07393	1.5
70.53184	2.6
70.53551	2.8
71.04982	5.9
71.08627	3.6
79.05492	16.2
81.03423	3.4
81.07061	86.3
82.07401	1.9
83.04990	16.7
83.08623	25.4
85.06526	4.9
91.05468	7.9
93.07050	27.9
95.04965	14.1
95.08613	79.9
97.06540	12.4
97.10178	20.0
99.08080	3.2
105.07037	11.4
107.04940	2.4
107.08604	24.6
109.06536	8.3
109.10164	54.4
110.10525	1.6
111.08105	3.7
111.11746	9.9
113.06024	7.5
115.07601	1.6
117.07009	2.2
118.56959	1.5
119.08580	13.4
121.06526	3.9
121.10151	14.7
123.08055	3.9
123.11710	34.0
125.09621	1.8
125.13253	3.9
127.07536	2.8
131.08565	1.6
133.10156	7.2
135.08058	9.8
135.11700	16.6
137.09608	3.8
137.13268	13.2
145.10091	3.6
147.11711	7.8
149.13264	20.5
151.11209	2.4
151.14871	1.7
159.11621	2.6
161.13293	5.6
163.11101	1.6
163.14810	8.1
165.12727	2.0
173.13298	1.8
175.14815	4.1
177.16408	4.0
179.14410	1.5
183.72307	1.5
189.16447	2.6
201.16394	1.8
205.19502	7.0
215.18016	1.8
271.24179	5.0
277.25409	11.5
289.18286	1.5
289.25256	18.0
307.09692	4.3
307.26334	100.0
308.26709	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	308.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
56.05031	2.2
57.98793	0.7
58.99587	21.4
67.05524	0.4
69.03413	0.5
69.96265	0.4
69.96643	1.2
76.02229	100.0
76.03995	3.3
77.02557	0.4
79.05485	0.6
80.05017	1.4
81.03410	0.5
81.07066	0.5
81.81269	0.3
83.06123	0.8
84.04504	44.4
85.02914	1.4
85.04842	0.5
86.76698	0.3
86.99049	4.2
88.02216	1.9
91.05481	0.4
93.07025	0.4
95.08624	0.4
98.00622	0.5
102.05520	0.7
114.03777	1.3
116.01680	22.2
120.75647	0.4
124.02173	0.4
129.06807	0.3
130.04018	0.6
130.05002	12.4
141.04831	1.1
142.03223	10.7
144.01146	12.4
144.02293	0.6
146.02704	0.8
147.04378	0.6
152.07088	1.4
162.02199	39.0
163.02548	0.6
170.02725	3.5
179.04852	42.3
180.05252	0.9
187.05341	1.7
188.03670	0.4
191.07088	0.8
199.05403	0.5
205.06494	0.8
215.04837	2.6
216.03262	1.1
227.04886	0.4
233.05890	14.6
234.06497	0.5
245.05974	3.1
272.85593	0.3
273.05466	0.5
277.08557	0.5
286.79837	0.4
290.08066	1.0
291.06378	2.3
308.08932	5.0
308.25604	0.4
309.03821	0.4
309.11307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.091
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.01864	0.4
56.05031	2.2
57.98793	0.7
58.99587	21.4
67.05524	0.4
69.03413	0.5
69.96265	0.4
69.96643	1.2
76.02229	100.0
76.03995	3.3
77.02557	0.4
79.05485	0.6
80.05017	1.4
81.03410	0.5
81.07066	0.5
81.81269	0.3
83.06123	0.8
84.04504	44.4
85.02914	1.4
85.04842	0.5
86.76698	0.3
86.99049	4.2
88.02216	1.9
91.05481	0.4
93.07025	0.4
95.08624	0.4
98.00622	0.5
102.05520	0.7
114.03777	1.3
116.01680	22.2
120.75647	0.4
124.02173	0.4
129.06807	0.3
130.04018	0.6
130.05002	12.4
141.04831	1.1
142.03223	10.7
144.01146	12.4
144.02293	0.6
146.02704	0.8
147.04378	0.6
152.07088	1.4
162.02199	39.0
163.02548	0.6
170.02725	3.5
179.04852	42.3
180.05252	0.9
187.05341	1.7
188.03670	0.4
191.07088	0.8
199.05403	0.5
205.06494	0.8
215.04837	2.6
216.03262	1.1
227.04886	0.4
233.05890	14.6
234.06497	0.5
245.05974	3.1
272.85593	0.3
273.05466	0.5
277.08557	0.5
286.79837	0.4
290.08066	1.0
291.06378	2.3
308.08932	5.0
308.25604	0.4
309.03821	0.4
309.11307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09612	0.2
56.05035	0.2
56.96550	0.4
57.03429	0.2
63.19753	0.2
66.92588	0.1
70.06587	0.5
71.23306	0.1
71.30421	0.3
72.08124	0.2
73.02904	0.2
74.02452	0.2
84.04531	0.2
84.08144	0.7
85.02941	0.2
86.09738	0.3
98.97584	1.5
107.04941	0.2
110.97539	0.2
116.98624	0.8
122.07146	0.3
128.98544	0.2
134.99664	0.6
138.05565	0.3
140.82333	0.2
144.04758	0.2
145.05084	0.2
145.10329	0.2
159.04449	0.3
160.07449	0.2
161.04715	0.3
163.03958	0.2
163.07544	0.2
164.08174	0.2
166.05324	0.4
174.05559	1.1
175.06281	0.7
176.07031	0.3
177.00801	0.4
185.04593	0.2
188.07144	0.3
190.08681	0.5
191.05707	0.3
192.06595	0.6
200.07133	0.3
201.07877	0.7
202.08641	0.8
204.06557	0.7
205.07372	0.4
206.04610	0.3
206.08139	0.4
216.06555	0.7
218.08110	1.0
219.01851	0.2
219.05365	1.0
219.08929	1.6
220.06104	0.4
220.09584	0.3
222.07602	0.7
228.06601	0.8
229.07397	1.4
230.08130	0.3
232.09637	1.8
233.06841	0.2
234.07620	6.9
235.08437	1.5
244.06017	0.6
244.09645	1.8
246.07619	0.8
248.09177	1.3
257.06842	0.3
259.08475	0.5
260.09210	1.6
262.03262	0.3
262.07016	0.8
262.10681	0.5
264.08731	0.4
265.09454	3.9
272.09167	0.9
274.10745	0.3
276.08713	0.8
278.06989	0.3
290.10309	0.6
292.08170	1.3
293.08926	6.9
308.11282	100.0
309.11639	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	308.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09872	0.2
69.98650	0.7
84.08120	0.3
91.34952	0.2
98.23248	0.3
98.97576	0.4
111.04414	0.3
125.27605	0.2
129.46318	0.2
157.85861	0.2
159.04497	0.4
161.04713	0.2
163.07568	0.2
174.05513	0.7
175.06279	0.7
176.07130	0.2
190.08644	0.6
191.07132	0.3
192.06496	0.3
201.07840	0.6
202.08615	0.6
204.06488	0.6
205.07414	0.4
206.07974	0.3
216.06535	0.7
218.08134	0.8
219.05281	0.7
219.08910	1.7
220.06151	0.3
220.09764	0.3
222.07617	0.7
228.06546	0.9
229.07367	1.6
230.08043	0.4
232.09625	1.2
234.07613	6.2
235.08296	1.1
244.06020	0.8
244.09718	1.6
246.07614	0.7
247.08333	0.3
248.09212	0.9
257.06741	0.6
259.08423	0.7
260.09174	1.5
262.07196	0.8
262.10788	0.7
264.08667	0.6
265.09467	4.1
272.09152	1.5
274.10745	0.5
276.08786	1.1
290.10202	0.9
291.10458	0.2
292.08145	1.2
293.08917	7.6
294.09207	0.3
308.11270	100.0
309.08032	0.3
309.11588	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	308.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05517	11.2
56.05024	0.8
56.96559	4.5
57.03427	2.4
61.02937	1.7
69.03436	6.1
70.06597	24.3
71.01357	2.1
71.04984	2.3
72.08156	2.5
73.02915	2.4
81.03414	0.8
82.01527	0.7
82.06587	15.6
83.05000	0.9
84.04514	0.8
84.08148	14.2
85.02908	10.7
85.08496	0.8
86.09681	1.1
87.04462	0.8
97.02904	4.8
98.97596	6.5
100.07626	46.3
109.02881	1.7
109.99117	0.7
110.06053	21.7
111.04455	3.1
112.07574	1.4
112.11235	0.8
116.98633	2.9
119.04929	1.5
124.07613	0.6
127.03920	2.1
128.07092	28.8
128.98630	0.6
129.05510	1.2
129.07462	0.9
129.10156	0.8
130.01779	2.7
130.08640	3.6
132.73718	0.6
134.99655	1.3
136.07605	0.7
138.05280	0.7
145.04951	1.2
146.06058	2.3
146.08130	100.0
146.99648	1.7
147.04420	4.9
147.08482	1.5
148.02802	1.8
155.53650	0.9
158.06062	1.4
158.99667	1.3
164.04236	0.8
174.05446	1.1
175.07484	1.0
177.00728	1.9
188.07173	1.1
189.00713	1.4
190.05498	0.9
190.08536	0.8
203.07141	0.8
211.10555	1.1
219.01765	0.8
219.08841	1.1
220.06396	4.3
222.07965	3.0
227.07164	0.8
229.07411	1.3
231.06551	0.8
232.09668	1.1
234.07661	4.2
235.08176	1.3
236.05930	1.1
240.09015	0.8
244.06119	0.8
244.09653	1.3
245.08174	0.8
248.05923	1.4
250.07208	0.7
252.09462	1.0
260.09100	1.1
265.09418	3.1
266.06989	6.0
272.09161	1.5
276.08658	0.8
290.10251	1.2
292.08160	0.9
293.08887	5.4
308.11270	65.3
308.15369	2.9
309.11584	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	308.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	1.0
54.03502	0.6
55.01879	1.5
55.05518	9.4
56.05050	1.5
57.03448	2.2
60.29450	0.6
61.02936	1.8
69.03444	4.1
69.47675	2.5
70.06598	18.8
70.74146	0.6
71.01353	3.2
71.05012	1.8
72.08179	1.4
73.02928	1.9
81.03454	1.0
82.06586	16.0
84.04510	1.0
84.08149	11.5
85.02912	11.5
87.04496	0.9
93.07040	1.2
97.02866	3.0
98.97601	2.0
100.07626	42.5
110.06051	21.3
111.04456	4.1
116.98678	0.9
119.04981	0.8
127.03960	2.1
128.07086	31.9
129.05490	1.4
130.08638	4.2
134.99690	0.8
139.03896	0.9
145.04968	1.8
146.08133	100.0
147.04430	2.7
147.08463	1.8
152.07094	0.8
163.03903	1.0
164.04242	1.7
177.05466	1.2
203.60942	0.6
211.10495	1.5
232.09686	0.9
234.07678	1.3
244.09570	1.3
265.09497	1.5
272.09042	1.4
281.11707	0.8
293.08948	1.7
308.07925	1.0
308.11218	23.8
308.15665	2.5
308.21744	1.1
309.11554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
52.84822	0.2
53.03965	0.2
55.05499	0.9
57.07074	0.6
67.05501	1.4
69.07065	1.6
71.04992	0.3
71.08636	1.8
71.31555	0.3
79.05501	1.7
80.94851	0.4
81.07061	3.9
83.08606	0.3
84.88761	0.2
88.07624	0.4
91.05483	0.9
93.07033	1.0
93.88030	0.3
94.04192	2.9
95.04971	0.6
95.08618	2.1
97.06551	0.4
99.08096	1.0
100.07642	0.3
105.07047	0.5
107.04959	0.7
107.08600	0.9
109.06509	1.6
109.10170	0.8
119.08593	0.6
121.10117	0.3
122.03648	8.0
135.11652	0.3
137.05981	100.0
137.13266	0.8
138.06305	2.8
151.11266	0.3
153.12712	0.3
155.14284	0.5
165.12743	2.3
172.16972	2.1
175.14847	0.6
184.16977	2.2
193.15880	0.6
235.17122	0.3
263.23837	0.3
291.23181	8.0
308.22385	0.8
308.25909	2.4
309.09344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0495
Annotation	(2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Peak:m/z	Relative Intensity
56.96575	64.4
69.57976	31.1
69.58273	5.4
79.62833	5.6
84.08148	17.3
84.96031	8.2
97.04135	5.8
98.22726	7.1
98.97587	99.8
110.97573	8.9
116.98633	31.6
124.99138	51.1
128.07088	9.1
130.08591	6.3
131.00179	7.7
143.00163	78.1
152.98579	12.0
159.03299	8.5
161.01256	21.9
169.01797	10.1
170.99658	35.5
173.01247	9.7
185.01270	25.4
186.99161	6.5
189.00775	25.7
191.02249	6.1
203.02299	15.4
213.00859	15.7
231.01768	27.4
236.10133	5.4
249.02757	30.9
267.03967	16.8
269.01794	11.8
285.04636	7.3
291.03949	66.4
309.01614	5.7
309.04944	100.0
309.08313	10.0
318.02161	8.7
327.06271	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	309.112
Annotation	Bisdemethoxycurcumin
Peak:m/z	Relative Intensity
53.03919	4.8
55.01851	4.1
65.03932	3.9
67.05473	4.0
69.03400	3.7
69.07045	4.3
71.04968	2.8
71.30527	1.5
75.36824	1.3
79.05469	5.5
81.03397	2.7
81.07031	3.5
85.06506	1.6
89.03896	4.6
91.04988	1.5
91.05488	23.5
93.03399	2.3
93.07049	6.2
94.64188	1.4
95.04967	6.5
95.08573	2.0
102.04668	6.8
103.05469	92.7
104.05769	2.3
105.03354	2.4
105.04510	1.5
105.07026	7.8
107.04955	6.4
107.08582	3.0
109.06447	1.4
111.04416	2.5
115.05422	4.5
117.03344	5.8
117.07002	1.9
117.91222	1.4
118.04133	2.4
119.04936	14.7
119.08547	3.6
121.06511	32.5
123.08059	1.4
125.05973	2.8
128.06145	2.3
129.07007	11.8
130.04166	6.6
131.04933	73.4
131.08560	2.9
132.05643	5.3
133.06465	6.1
134.03578	3.0
135.04379	6.9
136.08722	1.5
137.05977	17.1
143.06013	1.9
145.06442	3.7
147.04407	47.7
148.04738	2.4
149.05983	81.3
150.06775	28.5
151.07443	4.8
153.05421	5.7
157.06497	9.4
158.06822	1.9
159.04341	5.2
159.11607	1.7
161.05966	10.5
162.06767	25.6
163.07309	1.5
163.11124	2.3
165.07024	1.8
167.07016	1.9
175.11162	1.6
177.05470	100.0
178.06123	14.1
178.07715	4.5
179.08533	2.2
185.05989	22.6
191.08376	2.7
192.08542	1.9
193.10057	1.7
194.07254	1.7
202.07785	13.1
203.06876	1.4
203.08548	20.7
204.09039	1.9
206.07208	3.8
219.07939	5.2
220.08710	2.5
221.06096	1.8
221.09625	8.1
222.06827	1.7
231.08049	26.1
232.08446	3.0
234.06676	2.2
235.07440	2.5
238.06050	1.3
247.07530	2.5
248.08315	3.2
249.09174	8.1
251.07036	1.9
251.55151	1.2
258.06796	1.7
259.07529	16.4
263.06726	1.3
263.10495	3.8
266.09149	1.4
276.07599	2.6
277.08591	65.8
278.08829	5.3
281.11578	5.2
291.10138	6.6
294.08749	1.5
309.07471	6.3
309.11044	44.4
309.14468	2.2
310.11609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.112
Annotation	Sterequinone E
Peak:m/z	Relative Intensity
51.72594	1.1
55.01863	3.7
64.07585	0.9
65.03938	3.6
67.05503	2.8
70.63075	2.2
74.52833	1.0
76.09489	0.9
79.05488	3.7
79.90590	0.9
81.07053	3.6
85.06600	1.1
85.46230	0.9
91.05483	12.3
92.70786	1.1
93.03409	4.1
94.04198	3.6
95.04991	1.2
95.08608	2.3
102.04663	1.8
103.05475	7.2
105.07029	6.0
107.04949	2.7
109.06506	4.9
115.05440	4.6
117.07006	0.9
119.04949	8.5
119.08509	0.9
121.06459	1.5
122.03658	6.4
123.08071	1.4
128.06212	6.0
129.07002	9.0
130.04190	4.8
131.04922	7.2
133.06491	5.6
135.04430	1.3
137.05978	62.2
138.06311	2.3
139.05345	1.0
140.28362	1.0
145.02904	1.1
146.03627	7.9
147.04411	36.3
149.05946	6.8
150.06677	1.8
152.06203	1.1
153.05473	1.3
155.04939	1.9
157.06482	7.5
161.05984	58.4
162.06763	22.0
165.07007	3.3
167.04950	1.5
175.07607	1.2
177.05499	6.8
178.07796	9.9
179.08495	2.1
185.04362	1.9
185.05977	29.9
187.07645	1.6
190.07773	2.2
191.08545	4.7
192.09268	2.1
193.10103	6.6
202.07779	29.4
203.08565	57.8
204.08922	2.2
205.06512	5.1
206.07263	7.5
207.08032	3.1
213.06967	1.6
215.08688	1.3
217.06740	1.0
219.08069	8.8
220.08763	7.7
221.09599	14.1
230.07246	2.4
231.08044	62.9
232.08678	6.0
233.05974	1.6
233.09703	1.0
234.06723	9.1
235.07530	3.3
238.06056	1.1
247.07512	5.0
248.08325	16.3
249.09102	35.1
250.09592	2.8
251.06987	3.4
258.06763	1.4
259.07556	31.1
260.08200	6.9
261.09097	1.7
262.06241	1.7
262.10135	1.3
263.06940	1.4
263.07700	1.4
263.10684	12.7
263.64954	1.0
264.11142	1.4
265.08533	1.7
266.09323	2.8
275.07178	1.8
276.07785	9.6
277.08600	83.2
278.09021	6.8
279.06525	2.7
279.10229	1.3
281.08490	1.8
281.11746	9.5
291.10178	23.6
292.10568	2.3
294.08887	6.9
309.11206	100.0
310.11554	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02388	1.4
53.03942	9.5
55.01871	8.4
55.05512	49.9
57.03439	20.6
57.07076	11.7
58.42229	1.4
58.55363	1.2
59.05007	4.0
65.03925	2.3
67.05505	57.6
69.03438	9.7
69.07069	47.6
69.07452	1.3
69.14767	9.1
69.15176	2.2
71.04996	17.9
71.08625	4.3
74.07584	1.2
79.05493	71.1
80.05838	1.6
81.03419	13.1
81.07058	100.0
81.95837	1.7
82.07407	2.3
83.04983	9.7
83.08618	31.7
85.02904	15.3
85.06541	16.5
85.10196	2.6
91.05475	35.3
93.07046	83.4
94.07397	2.0
95.04966	22.9
95.08607	68.6
96.08924	2.4
97.06537	10.4
97.10174	30.5
98.22643	2.7
98.98488	11.1
99.04454	1.7
99.08092	29.1
101.21908	1.3
103.05480	3.1
105.04492	1.9
105.07027	24.3
107.04958	7.6
107.08597	40.3
108.08900	1.8
109.02810	1.3
109.06517	12.4
109.10159	47.6
110.10487	2.2
110.96239	1.3
111.04462	2.1
111.08091	11.7
111.11747	7.2
113.06001	13.7
115.05449	2.6
115.07604	1.9
117.07024	7.2
119.08575	21.7
120.09000	1.6
121.06519	4.8
121.10147	34.9
123.04482	1.9
123.08061	16.7
123.11716	21.7
124.11999	1.6
125.09630	20.5
125.13274	5.4
127.03996	1.2
127.07555	11.1
128.06224	2.7
129.05519	2.2
129.06979	6.7
131.08553	11.3
133.06499	2.0
133.10135	13.9
135.08038	8.0
135.11688	16.5
137.06018	1.4
137.09595	6.8
137.13245	10.5
139.11171	3.8
141.06949	2.8
143.08537	6.8
145.02811	2.0
145.06511	3.4
145.10114	9.6
147.04399	2.8
147.08043	4.2
147.11682	10.7
149.09624	3.1
149.13277	14.3
151.11192	3.0
151.14845	2.7
153.09137	2.7
153.12753	2.8
155.08554	2.7
155.10693	2.8
157.10139	5.4
159.08049	1.4
159.11697	7.8
161.05919	1.4
161.09636	3.8
161.13329	5.4
163.11192	4.6
163.14830	7.5
165.09151	3.3
165.12781	3.3
167.10721	1.5
169.10124	2.9
171.11690	2.9
173.13318	2.6
175.11171	4.3
175.14824	3.3
177.12804	1.6
177.16365	4.7
178.07697	1.8
179.08647	2.0
185.05803	1.8
185.13359	2.1
187.11131	3.7
187.14890	4.7
189.07040	3.8
189.11238	11.1
189.12743	2.2
189.16309	2.1
191.18008	1.4
195.08131	1.5
195.11717	1.7
199.14812	5.6
201.12831	1.8
202.07820	1.4
203.14275	1.8
203.17957	2.0
205.06543	1.7
206.07381	6.4
207.13681	1.5
213.16360	2.4
217.15933	3.7
218.07310	1.6
219.14082	1.6
221.06023	2.0
221.09590	3.0
221.15298	2.4
223.07489	1.9
223.13255	4.1
225.16380	3.0
227.18074	2.2
234.06754	9.8
235.07491	3.8
235.16965	1.8
237.16483	1.4
245.18900	1.7
248.08289	2.6
249.09087	8.4
249.14754	1.7
250.09668	2.0
251.07010	3.0
253.13470	1.6
255.17519	2.3
262.06262	3.3
263.20068	3.2
266.09366	4.1
273.18472	14.5
273.25772	7.5
277.08670	15.0
281.11765	12.2
291.19507	28.9
291.22888	1.5
291.26572	8.1
292.19934	2.1
292.26456	1.8
294.08957	4.4
309.07565	3.3
309.11105	28.7
309.17374	2.3
309.20773	9.3
309.28394	8.4
310.11728	2.9
310.27356	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	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	1.6
53.12904	1.0
55.01882	2.1
55.05510	10.7
57.03447	2.5
57.07069	1.7
67.05507	20.6
69.07068	5.9
71.31585	1.2
76.18162	1.1
79.05492	20.8
81.03400	2.3
81.07050	12.8
83.04979	1.6
83.08608	2.0
85.06525	1.4
91.05468	9.3
93.07031	9.5
95.04976	5.0
95.08605	100.0
96.08929	1.6
96.43967	1.3
97.06547	3.8
105.07031	9.2
107.04964	14.0
107.08600	14.2
109.06537	1.8
109.10157	4.4
113.09599	1.4
117.07022	2.9
119.08582	3.9
121.10159	2.5
123.08084	7.0
125.09657	1.2
131.08545	1.4
133.10146	2.3
135.08035	7.6
135.11763	1.7
137.09602	2.0
139.11200	1.5
140.44653	1.0
141.09119	14.8
142.07838	1.1
145.10112	1.9
149.09608	2.0
159.10165	53.7
161.13316	1.1
161.43953	1.0
173.11737	3.1
225.38028	1.0
263.20087	12.1
273.18561	2.1
291.19443	5.9
292.19061	3.0
309.20520	9.5
309.23822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05508	15.8
56.96568	6.0
57.03434	30.1
67.05497	39.4
69.07059	13.5
70.25198	13.4
70.25603	8.6
71.05009	6.6
72.62892	5.5
73.26581	6.6
76.61043	5.7
79.05488	37.0
81.07047	37.7
83.04962	5.9
83.08620	5.9
85.06550	35.9
88.53028	5.8
91.05477	19.5
93.07036	21.7
95.04969	45.1
95.08614	18.2
97.06532	10.6
97.10177	6.2
98.23299	7.5
103.85879	5.6
105.06331	5.3
105.07035	19.6
107.08564	16.3
109.06509	48.4
109.10151	7.4
111.08050	6.8
113.06012	100.0
119.08567	13.7
121.10140	14.9
123.08012	9.0
129.07059	6.2
131.08537	15.7
133.10130	9.8
135.08057	37.2
135.11618	8.2
145.10123	5.7
149.09691	6.4
159.11661	9.6
190.34077	6.4
207.13675	5.8
217.15874	15.1
263.20175	10.5
272.95923	6.4
273.18488	12.1
276.78436	6.7
278.97549	5.9
291.19608	42.4
297.66177	5.9
309.10764	10.0
309.20590	33.4
309.23965	11.1
324.73581	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03947	5.4
55.01871	11.9
55.05513	23.5
57.03428	4.1
67.05511	29.4
69.07070	7.6
70.78880	3.9
70.79256	4.1
71.01282	8.1
71.04986	4.2
79.05490	38.4
81.03418	13.0
81.07063	71.4
83.04986	31.6
83.08610	9.0
85.02910	9.9
85.06532	5.5
91.05485	18.3
93.07056	28.6
95.04971	14.6
95.08600	14.4
97.06532	7.0
97.10175	12.0
99.04480	6.0
105.07049	17.6
107.04980	6.4
107.08605	18.2
109.06519	21.4
109.10180	14.2
111.04441	60.0
111.08070	10.9
117.07006	13.6
119.08572	22.6
121.06496	9.9
121.10165	11.6
123.08060	9.5
125.09653	10.9
126.09367	4.3
131.08629	11.7
135.08067	8.7
135.11729	11.0
145.10138	19.1
147.08087	16.6
153.12769	10.9
157.10112	7.4
159.11664	5.3
161.09671	8.4
163.11192	15.1
165.09137	4.5
181.12254	14.5
189.11171	6.6
191.10706	13.6
227.12842	9.2
230.66922	4.1
249.14903	6.5
254.94781	7.1
255.17624	5.4
262.58316	4.8
273.18469	30.2
291.19598	100.0
292.19229	17.6
309.20569	7.1
309.24042	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03945	6.4
55.01870	11.0
55.05509	36.0
57.03429	5.5
59.04992	1.3
60.71791	1.2
65.03923	1.8
67.05504	33.6
69.03416	4.4
69.07068	21.8
69.53021	8.3
71.04989	5.1
79.05495	47.5
80.05823	1.5
81.03423	13.2
81.07058	100.0
82.07380	1.6
83.04979	10.7
83.08614	19.1
85.02899	2.5
85.06530	3.7
91.05484	21.5
93.07043	30.8
93.76985	1.3
95.04971	14.0
95.08602	23.8
97.06537	10.3
97.09538	1.9
97.10164	28.1
97.19993	1.6
99.04450	1.5
99.08077	2.5
103.05453	1.3
105.07030	21.1
107.04952	6.0
107.08597	17.1
109.06519	40.3
109.10144	12.7
109.23464	1.4
111.04448	8.9
111.08078	4.6
113.06037	1.6
115.82153	1.3
117.07011	4.8
119.04949	1.4
119.08566	15.4
120.08946	1.2
121.06505	3.8
121.10136	14.2
123.04423	1.4
123.08069	26.7
123.11747	1.9
125.06046	1.6
125.09622	25.8
129.07002	4.8
131.08571	11.3
132.97815	1.4
133.06493	1.9
133.10098	7.2
135.08052	9.2
135.11670	7.0
137.09587	8.5
139.11172	1.9
143.08580	2.4
145.06448	1.9
145.10101	7.5
147.08035	4.4
147.11705	4.7
149.09599	4.4
149.13184	2.9
151.07610	1.5
151.11156	2.3
153.09117	2.3
153.12753	3.0
157.10126	3.6
159.07994	2.0
159.11662	2.9
161.09660	3.2
161.13232	1.4
163.11188	15.5
165.09094	7.0
171.10220	2.3
171.11673	2.5
175.11201	4.1
177.12761	1.8
181.10440	1.2
181.12234	5.4
189.11229	20.2
189.12822	3.3
191.10660	6.1
193.12204	9.0
211.13307	2.2
217.15950	1.9
223.13208	3.4
227.12799	3.3
245.19005	3.3
249.14914	2.4
255.17494	2.7
263.20047	2.9
265.21613	1.4
273.18524	14.9
291.16281	3.2
291.19525	52.8
292.19943	4.3
309.11154	3.2
309.20514	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	6.4
54.97541	7.3
55.01870	22.0
55.05516	84.4
57.03437	33.1
57.07080	7.8
60.33310	5.5
67.05505	93.9
67.13142	5.9
69.03417	8.4
69.07067	45.3
69.52620	31.2
71.04994	12.2
72.83367	5.9
79.05492	81.9
81.07058	100.0
83.04984	20.8
83.08617	30.2
83.69151	6.9
85.06532	18.7
91.05494	60.8
93.07037	60.9
95.04970	20.5
95.08606	54.2
97.06539	8.3
97.10169	25.4
99.08063	9.0
100.07615	6.6
100.11243	18.1
105.07045	40.6
107.04945	34.4
107.08606	58.1
109.06509	24.8
109.10165	17.8
111.02324	6.1
111.04411	10.6
111.08121	11.8
117.07034	30.5
119.04935	6.3
119.08571	78.8
120.08962	6.4
121.06476	17.2
121.10143	37.3
123.08066	24.8
123.11705	7.4
125.09655	32.5
129.07043	12.1
131.08601	30.8
133.10121	33.5
135.08067	14.2
135.11682	20.3
137.09619	7.2
139.10983	7.0
143.08434	13.8
143.10614	6.5
145.10097	22.6
147.08061	25.4
147.11662	21.4
149.09581	8.7
151.03677	6.5
151.11119	6.9
154.77809	7.5
157.10144	15.4
159.11679	12.2
161.09583	15.6
161.13219	8.6
163.11238	10.6
165.09114	6.2
168.25343	5.7
171.11633	10.5
173.13216	11.5
182.15395	49.7
185.13245	7.3
189.11143	8.0
189.16237	8.8
199.14818	7.5
210.14861	57.0
210.89606	6.3
217.15884	8.2
219.13792	10.5
221.15669	5.9
227.17787	6.5
249.06743	11.1
255.17384	8.6
263.20145	13.5
273.18533	41.4
277.21783	11.2
291.19568	76.3
309.20377	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.28956	6.3
53.03941	7.7
55.01874	11.9
55.05509	36.4
57.07074	14.9
57.60165	5.6
59.04995	10.5
59.21999	6.0
63.70464	5.9
67.05511	88.1
69.03424	8.0
69.07069	37.9
71.04989	12.6
71.08643	7.6
71.29913	6.3
79.05484	57.9
81.03427	11.3
81.07062	100.0
83.04978	23.7
83.08604	16.3
85.06538	9.4
91.05479	70.7
93.07049	71.0
95.04977	19.4
95.08610	64.5
97.06560	9.1
97.10179	5.9
98.89697	5.8
99.08087	11.1
105.07022	64.3
107.04972	12.5
107.08585	56.4
109.06522	19.3
109.10166	78.9
111.04414	6.4
111.08088	12.7
117.06977	10.1
119.08611	29.6
121.06532	8.4
121.10135	28.1
123.08076	17.1
123.11710	19.0
125.09618	7.8
129.07004	7.8
131.08589	18.1
133.06461	9.1
133.10132	96.4
135.11674	20.7
137.09630	8.4
139.07542	7.5
143.08710	6.5
145.10170	15.2
147.08075	13.3
147.11732	6.3
149.13232	10.7
151.11183	50.4
161.09637	17.3
161.13275	6.8
167.10631	7.3
169.12242	13.7
171.11710	8.8
175.11185	7.5
177.45074	7.0
179.10634	9.1
237.11938	5.5
245.18927	12.0
273.18546	26.6
277.21686	11.5
291.19531	46.0
309.20880	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01859	3.6
55.05516	16.5
57.03456	4.2
57.07066	4.7
61.05812	2.1
65.03944	2.8
67.05513	31.0
68.73428	2.4
69.07069	16.2
69.82267	11.0
71.05004	3.4
71.08606	3.0
79.05496	31.8
81.03423	3.7
81.07059	48.5
83.04964	5.6
83.08631	11.1
85.06554	2.4
91.05484	35.5
93.06473	3.1
93.07054	60.5
95.04974	44.5
95.08614	42.8
97.06546	18.1
97.10129	2.6
98.22624	2.1
103.05492	2.7
105.07034	76.8
107.08595	34.6
109.06533	12.5
109.10164	26.2
111.08133	3.1
117.07030	14.5
119.07793	3.4
119.08591	55.5
121.06533	10.5
121.10152	100.0
123.08030	10.2
123.11671	8.7
128.06190	8.6
129.06989	15.2
130.07755	6.7
131.08571	36.2
133.06480	3.6
133.10139	33.6
134.10594	2.6
135.08043	5.9
135.11700	11.4
141.06938	6.5
142.07787	11.9
143.08574	25.0
144.09254	7.1
145.06511	4.8
145.10135	43.8
146.10748	2.1
147.08031	4.6
147.11670	15.6
149.13290	3.1
153.06964	4.3
155.08566	10.8
156.09363	11.2
157.10135	31.8
158.10866	3.6
159.08006	3.3
159.11697	36.9
161.09596	8.6
161.13219	5.9
162.71736	2.2
163.11122	2.3
167.08594	4.0
168.09294	5.4
169.10182	17.4
170.10927	3.9
171.11720	17.5
173.09558	3.8
173.13298	18.8
175.14774	7.5
175.27850	2.6
179.08481	6.0
181.10104	9.4
183.11685	16.3
184.12323	2.7
185.13309	12.3
187.11177	9.0
187.14807	15.4
189.12619	2.5
193.10210	4.9
194.10736	3.9
195.11635	10.4
196.12407	5.3
197.13245	15.9
198.94688	2.9
199.14850	11.9
201.16299	3.8
206.10883	2.8
207.11665	8.3
209.13332	12.5
210.13979	3.0
211.11235	4.3
211.14899	11.2
213.16295	5.1
220.12407	4.3
221.13220	7.4
223.14771	6.2
225.12747	4.2
225.16388	5.9
235.14699	9.8
237.16306	3.9
239.14296	3.7
239.18016	5.6
241.15979	2.5
248.15631	2.6
249.16313	5.4
251.17859	2.9
253.15860	6.3
253.19426	6.0
265.19427	3.4
281.22580	4.5
291.20844	11.6
309.18405	4.8
309.22018	94.8
310.22147	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.22401	1.6
53.03941	5.1
55.01873	4.7
55.05315	1.6
55.05518	17.0
57.03423	7.2
57.07066	4.8
65.03912	2.9
67.05508	35.8
69.03414	2.2
69.06730	2.0
69.07066	19.2
69.63221	8.1
70.10760	1.6
71.04984	3.0
71.08648	3.3
72.67937	1.5
79.05069	2.5
79.05498	34.0
81.03409	5.7
81.07061	44.5
83.04971	5.3
83.08616	9.4
85.06521	2.0
91.05480	39.3
93.07046	60.8
94.07401	1.7
95.04972	48.5
95.08050	3.1
95.08607	40.1
97.06532	19.3
97.10167	5.2
99.08088	3.5
103.05437	4.2
105.07038	81.1
106.07349	2.2
107.04971	2.0
107.08601	37.0
109.06505	10.1
109.10171	25.0
114.82661	1.7
115.05430	4.1
117.06987	16.5
119.07771	3.3
119.08588	54.3
121.06512	7.1
121.10146	100.0
122.10521	2.4
123.08105	8.5
123.11703	8.2
125.09657	3.9
128.06171	9.1
129.07025	13.2
130.07756	5.1
131.08577	29.8
133.06540	2.3
133.07610	2.5
133.09215	3.0
133.10136	38.0
135.08054	5.4
135.11697	13.8
141.06990	5.6
142.07791	14.7
143.08566	29.0
144.09294	5.2
145.06471	3.9
145.10121	42.9
146.10492	2.3
147.04454	2.8
147.08038	3.9
147.11681	14.3
149.13216	3.2
151.11205	4.8
154.07732	2.3
155.08569	10.5
156.09358	9.9
157.10138	33.7
157.34143	1.9
158.10818	4.0
159.08066	2.7
159.11716	25.4
161.05968	2.2
161.09599	7.1
161.13255	7.7
163.11179	2.1
166.07774	1.9
167.08537	3.5
168.09355	3.0
169.10103	15.6
170.10889	5.7
171.11710	16.0
173.09605	2.5
173.13280	14.9
175.11267	1.9
175.14790	8.4
178.07738	2.3
179.08508	4.0
179.14268	3.3
180.09222	2.0
181.10138	7.2
182.10881	4.8
183.11674	11.7
184.12488	2.5
185.09746	1.9
185.13257	12.4
187.11180	10.0
187.14810	17.2
189.12761	2.4
193.10127	6.2
195.11659	7.1
196.12415	4.2
197.13219	12.4
199.11203	2.8
199.14825	8.5
201.12756	3.1
201.16473	2.0
203.12759	2.2
205.10120	3.6
206.10809	3.1
207.11691	6.1
209.13249	9.4
210.13950	2.5
211.11034	2.1
211.14798	9.5
213.16335	4.0
215.08472	2.7
215.14340	2.9
221.13268	5.4
223.14880	2.7
225.16399	6.1
235.14851	6.9
237.16316	2.1
239.17990	5.1
241.15947	1.8
241.19427	2.9
245.09628	3.4
245.13188	1.9
249.16626	2.1
253.15816	2.4
253.19505	4.1
265.19510	3.5
273.12677	4.4
277.21616	10.9
281.22537	3.3
291.20886	8.6
309.14764	5.2
309.22086	78.3
309.25211	3.1
310.22635	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	309.2424
Annotation	Yaretol
Peak:m/z	Relative Intensity
53.03939	1.3
55.01869	2.3
55.05516	15.1
57.03429	1.6
57.07074	3.8
59.05006	0.9
61.28761	0.5
65.03923	0.7
67.05506	14.4
68.53809	0.5
69.03424	1.4
69.07071	14.5
69.50166	2.7
71.05004	3.1
71.08637	13.0
73.06553	0.8
79.05495	11.6
81.07062	28.6
83.04993	2.7
83.08621	6.9
85.06527	2.2
91.05482	6.9
92.10013	0.6
93.07048	18.9
94.07362	0.7
95.04975	3.2
95.08610	18.9
97.06542	5.8
97.10162	4.6
99.02685	1.2
99.08094	7.7
105.07022	8.9
105.07669	0.8
106.44254	0.5
107.08593	13.9
108.08905	0.6
109.06519	7.8
109.10152	6.8
111.08097	2.6
117.06997	1.2
119.08576	7.1
120.08884	0.7
121.06509	0.6
121.10130	6.1
123.08080	3.5
123.11723	2.8
125.09662	1.5
127.11205	0.8
129.07301	1.0
131.08591	2.8
133.10158	3.8
133.11018	0.6
135.08087	0.7
135.11682	3.3
137.09633	1.5
139.11177	1.3
141.12785	0.9
143.08577	2.4
145.10126	1.9
147.08020	0.7
147.11703	2.8
149.13249	2.9
151.11177	1.9
151.14833	0.6
153.12755	2.4
157.10197	0.9
159.11697	1.2
161.13257	3.4
163.11259	0.6
163.14810	2.0
165.12766	10.8
167.14296	1.4
169.10143	0.6
171.11761	1.1
173.13246	0.9
175.14821	3.3
177.12810	0.9
177.16507	0.6
179.14330	1.5
185.13289	0.6
189.11263	0.6
189.16476	1.2
193.15903	6.8
197.13194	0.7
199.14861	1.1
200.59370	0.5
235.16855	2.8
249.18497	0.5
263.23810	1.2
273.22198	1.2
291.23175	24.7
291.26468	1.2
292.23480	2.3
309.24246	100.0
310.24649	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03953	9.9
55.01866	20.6
55.05516	56.0
57.03450	7.3
57.07075	17.1
59.05012	8.8
67.05507	100.0
69.03431	7.6
69.07069	51.3
69.26506	9.9
69.26913	31.5
71.08636	55.0
78.63902	5.5
79.05497	73.0
81.03416	43.5
81.07066	93.5
83.04985	26.2
83.08617	28.2
85.06523	11.8
85.10195	25.3
91.05486	49.9
93.07059	79.1
95.04984	35.5
95.08606	53.5
97.06551	19.3
97.10178	27.4
99.08098	55.9
105.07042	37.9
107.04970	19.5
107.08609	42.3
109.06507	9.1
109.10177	28.7
111.08086	17.6
113.09638	29.5
117.07014	14.3
119.08580	21.3
121.06550	12.0
121.10168	23.2
123.08060	10.2
125.09673	22.3
131.08606	10.9
131.38033	5.5
133.10156	25.0
135.08090	11.1
135.11688	24.3
145.10112	16.9
147.08003	8.7
147.11707	18.5
149.09674	11.6
149.13239	12.1
151.11203	50.7
159.11714	9.6
161.09770	5.9
161.13243	28.7
163.11115	14.6
164.58263	5.7
165.12770	36.9
167.99474	6.3
171.11700	7.4
173.13184	8.6
175.14832	8.7
179.14323	20.4
189.12747	7.8
203.12752	9.6
207.63361	6.8
241.19568	13.3
249.22151	8.3
259.20538	18.9
270.20917	5.9
277.21616	88.2
278.21774	8.7
309.20581	8.2
309.24286	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	20.3
55.01883	6.9
55.05513	31.0
57.07077	7.3
64.65192	2.5
67.05508	77.3
69.03424	3.4
69.05646	2.7
69.07074	43.7
69.09303	24.9
71.08636	3.8
73.27105	2.4
79.05493	45.7
81.03418	76.0
81.07061	67.8
83.04985	17.8
83.08602	12.0
85.10209	2.6
91.05486	22.6
93.07051	46.7
95.04966	40.0
95.08606	26.8
97.06544	6.3
97.10175	8.8
99.08113	4.8
105.07034	31.1
107.08605	29.5
109.06499	12.1
109.10166	20.6
111.08057	4.3
114.04660	2.2
117.07025	6.9
119.08572	13.6
121.10168	11.8
123.08090	3.7
123.11713	8.3
125.09622	20.7
129.07002	4.7
129.53511	2.6
131.08572	4.2
133.10127	19.1
135.08089	7.9
135.11685	10.0
138.15025	2.7
143.08527	4.0
145.10124	5.5
147.08018	3.8
147.11638	13.3
149.09587	3.7
149.13269	11.0
151.11186	44.8
151.12309	3.7
153.09116	7.1
157.10121	4.9
159.11749	3.1
161.13257	13.2
163.14827	5.4
165.12767	16.3
171.11703	9.7
175.14838	4.2
179.14378	7.0
185.13234	4.2
189.12813	3.7
193.12283	3.9
203.12805	6.3
207.13878	4.0
217.19402	3.3
221.15402	3.1
231.21033	14.9
241.19572	4.8
249.22154	4.7
259.20535	12.2
277.21622	100.0
278.22070	8.4
332.16913	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
54.94941	1.9
55.01867	5.8
55.05520	27.5
57.03439	7.1
57.07068	6.1
65.03938	3.8
67.05505	64.1
68.19490	1.8
69.03444	3.0
69.07069	27.3
71.04994	2.9
71.08633	64.0
79.05495	51.7
80.05844	1.8
81.03426	6.5
81.07059	67.8
83.04980	18.4
83.08617	11.4
85.06543	3.7
91.05486	37.4
92.05817	2.2
93.07049	72.7
93.07628	4.0
95.04982	13.8
95.08610	53.0
97.06525	14.4
97.10168	6.1
99.08094	50.9
99.08729	2.4
105.07034	23.9
107.04963	11.4
107.08599	41.2
107.09281	4.0
109.06525	5.6
109.10167	22.2
111.08119	2.4
113.09693	2.6
117.07051	3.9
119.08594	24.0
121.10145	40.2
123.08063	2.8
123.11714	5.6
129.07010	3.7
131.08600	7.5
133.10132	16.4
135.11703	48.3
137.09637	7.6
137.13306	3.0
139.07541	2.5
139.11185	4.2
141.09097	4.0
143.08586	4.5
145.10147	7.2
147.11693	8.3
149.13261	11.8
151.11206	25.2
153.12784	4.1
154.81683	1.9
157.10136	8.8
159.11720	7.6
161.13255	17.3
163.11185	8.6
163.14835	5.2
171.11711	10.3
175.14862	3.8
177.12704	3.9
179.14317	100.0
180.14761	3.3
185.13284	5.9
199.14806	2.5
202.85136	2.5
221.15401	4.7
235.16916	4.5
241.19630	3.2
253.19475	2.1
258.05847	2.4
259.20636	4.6
260.21808	2.2
277.21606	56.9
278.21982	2.6
309.18625	3.3
309.22159	5.9
309.25558	8.5
310.31274	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	309.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01869	3.5
55.05516	32.0
57.03434	3.3
57.07077	18.9
59.05009	2.9
59.09474	1.8
67.05506	42.7
69.03431	7.5
69.07074	61.5
71.04995	7.4
71.08643	14.6
71.08983	3.0
71.31004	2.3
75.04469	1.9
79.05494	27.4
81.03410	5.2
81.07060	100.0
82.49419	1.9
83.04975	4.0
83.08624	32.2
85.02907	6.3
85.06541	6.1
85.10186	3.1
91.05486	19.2
93.06470	2.7
93.07049	42.5
94.07372	2.9
95.04980	8.2
95.08608	88.7
95.62865	1.7
96.08976	2.4
97.02909	2.8
97.06525	7.6
97.10175	22.5
98.98476	13.3
99.08097	3.0
101.06004	1.8
105.07038	21.0
107.08598	40.2
109.06550	10.1
109.10151	52.9
111.04496	3.5
111.08070	8.5
111.11706	10.8
113.06026	2.6
114.98241	2.0
117.07021	3.7
119.04929	2.8
119.08592	16.2
121.06483	2.1
121.10148	29.1
123.08059	4.6
123.11715	28.1
125.09664	3.7
125.13297	8.2
127.07567	2.2
129.05498	2.4
129.06993	7.0
129.66641	1.9
131.08582	8.0
133.10146	15.0
135.11697	21.3
137.05966	2.1
137.09602	4.9
137.13237	15.0
139.11165	3.3
143.08612	5.1
145.10127	7.8
147.04440	2.4
147.08003	2.1
147.11703	13.9
149.13260	22.0
151.14830	6.0
153.12764	4.5
155.08528	2.5
155.10735	2.6
157.10149	3.9
159.11800	2.7
161.13274	7.8
163.14825	10.5
165.12724	2.2
166.13417	1.9
169.10078	3.4
171.11652	2.9
171.36731	1.8
175.14818	3.8
181.06436	2.2
181.10245	2.3
185.13202	2.0
187.14854	7.2
189.12753	2.7
189.16470	2.4
191.08723	2.1
191.17972	3.2
199.14844	8.3
203.17941	2.7
213.16385	2.6
217.19591	3.0
218.02122	2.1
223.07513	2.1
224.96979	2.2
225.09064	2.1
234.06706	4.1
249.09085	9.5
251.07152	3.2
273.18631	2.8
273.25812	9.8
277.08670	10.8
281.11722	2.5
291.19452	4.5
291.23682	2.0
291.26672	9.2
309.11212	11.8
309.14786	7.2
309.18085	3.6
309.22006	3.1
309.28369	14.4
310.11563	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2014
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.03933	0.9
55.01873	1.3
55.05511	12.6
56.05046	0.7
56.05843	0.9
57.03442	1.3
57.05814	0.8
57.07085	1.6
58.03773	0.6
65.03934	0.5
67.05510	6.3
68.05861	0.9
69.01163	3.3
69.01583	2.1
69.03454	1.0
69.07082	2.6
71.04995	1.3
72.08157	100.0
73.08495	1.3
76.41750	0.5
78.55768	0.5
79.05495	8.3
80.05818	1.1
81.03415	0.8
81.06584	0.7
81.07061	13.8
82.07405	1.7
83.04986	4.5
83.08636	0.8
85.06546	0.9
91.05487	13.0
92.05798	1.4
93.07046	18.5
94.07390	2.1
95.04960	4.2
95.08619	5.6
96.08946	0.9
97.06548	1.6
97.10170	0.6
98.06035	0.6
98.22545	1.1
100.41136	0.5
105.07031	17.9
106.07383	1.2
107.04968	0.8
107.08600	6.6
108.08951	0.9
109.06523	11.0
109.10161	4.1
110.06872	0.9
111.08104	3.0
114.09187	4.9
117.07013	1.3
118.08659	37.8
119.08557	6.5
120.08968	1.0
121.06522	1.1
121.10192	3.0
122.10485	0.9
123.08095	1.5
123.11697	1.2
124.08476	0.6
126.14764	0.5
129.07008	0.9
131.08557	5.0
133.06487	1.1
133.10132	19.6
134.10509	1.3
135.08102	0.8
135.11702	0.9
137.06004	1.3
137.09641	0.7
142.08655	2.2
145.10098	0.8
147.11682	15.1
149.09656	1.9
149.13258	1.3
151.07619	3.4
151.11185	51.9
152.11526	1.7
157.10187	1.3
158.10478	0.6
165.12773	2.6
175.11189	4.3
193.12227	4.7
201.16414	0.9
205.70297	0.5
219.08006	0.6
246.18530	7.2
248.25551	0.5
251.10678	0.9
264.19595	24.7
265.20102	1.5
274.18942	0.8
292.19128	6.6
294.17676	0.5
310.12268	0.6
310.20212	15.1
310.23453	0.8
311.05716	0.6
311.13104	0.7
311.20053	1.0
315.91602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48300	0.7
56.96572	1.8
64.09544	0.8
69.03458	0.8
70.06598	7.9
71.30233	1.1
72.08157	1.0
79.05480	1.1
84.08154	1.7
85.02889	0.9
86.09727	0.7
91.05476	0.8
92.20456	0.7
110.07098	0.8
116.07098	0.9
120.08096	1.5
121.08454	1.4
123.04446	0.6
123.95367	0.7
125.93763	0.7
135.04468	1.0
136.07570	1.2
139.06129	0.7
145.02895	0.9
147.04416	0.9
147.11288	0.8
149.02104	26.6
163.03905	3.2
167.03070	0.8
178.11911	0.9
185.04250	9.6
202.08571	1.0
213.12347	2.8
293.12192	1.3
311.07382	100.0
312.07791	3.5
312.15381	2.7
330.13602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01871	7.7
55.05510	4.3
56.01531	2.4
56.96568	13.5
57.03436	18.4
59.05011	2.1
61.02926	3.6
61.94527	2.0
67.05505	3.3
68.04999	2.1
68.99807	2.0
69.03429	55.1
70.06589	7.3
71.05001	5.5
71.29996	3.1
73.02914	8.1
79.05491	7.6
81.03426	20.2
81.07056	3.8
83.04996	6.0
85.02904	34.2
87.04478	3.5
91.05489	13.6
94.60576	2.2
95.04985	4.8
97.02896	40.8
98.97593	9.3
99.04481	4.8
103.03941	6.5
103.05476	10.4
107.04967	7.4
109.02905	5.9
111.04403	5.0
115.03951	8.7
115.05492	5.4
116.98621	6.1
117.07021	5.7
119.04945	13.0
120.08136	3.4
121.06502	8.3
122.03658	5.9
123.04450	3.7
127.03925	30.5
129.05513	10.1
129.06978	3.5
131.04930	25.1
133.02968	2.7
135.04398	8.9
137.05974	100.0
141.06995	8.9
143.04892	4.6
144.05655	2.7
145.06479	8.1
146.03691	3.2
147.04407	20.2
149.02116	11.0
149.05981	28.3
151.03937	11.1
151.07539	10.4
159.04434	8.3
160.05162	5.8
160.18617	2.1
161.05986	8.2
162.03073	3.6
162.06857	2.9
163.07524	19.1
164.04652	2.9
165.05511	3.0
167.07048	9.7
169.06508	9.1
171.04457	2.5
172.05151	3.5
173.05969	3.4
175.07553	10.5
176.04704	6.1
177.05469	37.1
177.09155	3.4
179.07021	17.4
182.26782	2.2
185.04308	5.4
185.05931	4.1
187.07567	10.2
189.05508	5.2
189.09052	2.6
190.06253	3.9
191.07053	37.2
197.05992	9.8
200.04671	3.4
201.05553	4.5
201.09167	6.6
203.07011	12.3
205.08636	4.4
207.06459	3.1
213.05379	2.7
213.12285	2.3
214.06288	6.0
215.06993	13.0
217.08691	3.6
219.06409	2.9
221.08134	6.9
223.04266	14.6
228.02133	2.2
229.08563	19.1
233.08073	9.8
245.08282	3.5
246.02907	3.6
257.08072	12.3
275.09204	7.7
287.95609	4.0
293.10229	10.0
294.09894	3.2
311.07376	52.5
311.11432	13.9
311.20056	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	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01868	1.1
55.05513	0.9
68.30084	0.6
69.07025	0.6
70.62523	1.3
75.20709	0.6
77.03936	0.7
79.05485	3.2
81.07066	3.1
87.04457	0.6
91.05499	4.6
93.07042	2.3
94.04194	3.2
95.04976	1.5
95.08629	0.9
98.04169	0.6
103.05474	2.2
105.07054	5.8
107.04942	1.8
107.08626	0.7
109.06529	4.9
109.10128	0.9
115.05466	2.7
116.06241	0.7
117.03365	0.7
117.07008	0.8
119.08543	1.5
121.06495	1.9
121.10171	0.6
122.03648	7.6
128.06221	1.9
129.07001	4.9
131.04964	3.5
131.05774	0.6
131.08572	1.8
132.05716	0.7
133.02884	1.0
133.06511	5.1
135.04462	1.4
135.11710	0.8
137.05983	96.7
138.06310	2.8
138.07288	0.6
141.06976	1.1
143.05974	0.6
144.05721	2.1
145.06473	1.3
146.03697	0.6
149.06001	7.0
150.06729	1.8
151.07567	1.4
155.04915	7.6
155.06030	0.9
156.05560	0.6
159.04430	1.1
159.08058	7.5
161.05981	18.2
163.03917	0.8
165.07031	2.9
167.07077	1.2
167.08484	0.7
171.04512	0.9
172.05208	2.5
173.17499	0.6
175.07521	4.0
178.07732	0.7
179.08607	1.3
180.09341	1.4
181.06502	0.7
182.07353	0.6
187.03972	2.2
187.07547	33.5
188.07977	1.8
189.07039	5.8
189.09114	2.2
190.07780	20.4
191.08565	44.8
192.09001	1.6
193.06651	0.7
195.08017	0.9
201.07045	1.2
202.07774	2.5
203.08507	1.1
205.06516	2.1
205.10081	0.9
207.08084	6.4
208.08841	6.2
211.07555	0.8
217.06447	0.8
218.07277	12.9
219.08057	61.8
220.08636	7.8
221.06017	2.7
223.11037	0.9
225.09065	0.9
229.07697	1.4
231.08087	1.0
233.09605	2.1
235.07512	7.2
236.08324	14.3
237.09000	2.8
238.06206	0.9
239.04407	0.8
246.06830	1.8
247.07564	29.1
248.08229	3.9
249.05614	1.2
249.09001	1.0
250.09843	1.0
251.10683	100.0
252.08490	0.9
252.11024	6.9
253.08598	6.2
261.09085	4.5
262.09854	0.7
263.07135	2.0
264.07822	8.5
265.08514	3.1
268.10895	1.5
278.09274	1.6
279.10172	84.6
280.10712	10.1
281.08127	6.6
283.09637	1.4
283.13193	2.9
293.11575	1.2
295.09668	1.5
296.10406	8.1
297.10593	0.9
309.11163	1.3
311.09625	2.7
311.12769	75.7
312.13004	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	311.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04610	1.3
53.03934	1.1
55.05509	2.5
66.70741	1.1
67.05480	2.4
67.68613	1.2
69.03434	1.4
69.07072	1.6
71.05000	2.0
71.31625	1.1
72.27839	1.1
79.05488	5.3
80.65748	1.2
81.07066	7.5
82.07378	1.3
83.08630	1.4
91.05484	8.1
93.07037	4.2
94.04178	5.6
95.04975	1.8
95.08576	2.6
97.06506	1.4
103.05470	3.3
105.07012	9.3
107.04951	3.1
107.08551	2.7
109.06551	7.5
109.10080	1.8
115.05456	2.3
119.08561	1.9
121.06520	2.5
122.03649	12.5
128.06197	2.6
129.06979	4.5
131.04971	2.0
131.08528	2.0
133.06491	8.3
135.04332	1.5
137.05980	100.0
138.06300	2.7
141.06996	1.8
144.05693	3.0
145.06494	1.7
145.10091	1.7
147.04300	1.2
149.06013	5.6
149.09567	1.7
151.07571	1.5
155.04887	7.6
155.06039	1.5
159.08055	8.3
161.05991	11.5
165.07027	3.6
169.06526	1.4
171.04352	1.5
171.11682	1.2
172.05188	3.7
173.05940	1.4
175.07561	3.1
179.08542	2.8
180.09393	1.5
187.07558	27.8
188.07999	1.5
189.07065	5.9
190.06064	1.8
190.07774	26.5
191.08562	53.2
192.09004	2.6
195.08113	1.9
202.07646	2.1
203.08505	1.8
205.06410	2.7
207.08113	6.3
208.08849	6.8
209.09308	1.4
210.06786	1.2
217.06360	1.5
218.07281	15.6
219.08061	63.2
220.08630	8.4
221.05974	3.1
225.09050	1.8
229.07681	2.0
233.09651	2.7
235.07526	8.9
236.08330	15.6
237.09018	3.7
246.06645	2.7
247.07565	28.4
248.08281	3.8
249.05707	1.4
249.08691	1.6
251.10681	79.1
252.08255	1.3
252.10936	6.2
253.08601	6.8
255.06302	1.4
261.09058	3.1
263.06924	2.6
264.07822	10.7
265.08560	3.2
266.05923	1.6
268.07373	1.6
279.10147	61.1
280.10797	6.6
281.08188	7.7
295.09692	2.4
296.10413	11.3
311.09302	4.0
311.12747	51.8
311.16348	3.3
312.12915	2.9
329.02319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphine
Peak:m/z	Relative Intensity
53.03933	1.5
54.97169	1.2
55.01875	2.6
56.00482	1.0
65.03931	1.1
67.03806	1.1
67.05496	2.7
69.14896	1.1
69.19279	6.0
69.19691	2.1
78.61300	1.0
79.05486	5.0
81.03410	1.8
81.07042	3.5
84.74894	1.0
85.02887	1.2
89.03922	1.4
89.46776	1.2
91.05479	5.5
93.07031	3.0
94.04182	4.7
95.04967	2.0
95.08596	1.6
103.05460	4.1
105.03354	1.5
105.07024	8.6
105.39100	1.0
107.04984	2.8
109.06478	5.4
115.05466	3.1
117.06980	1.4
121.06480	2.9
121.10129	2.4
122.02945	1.2
122.03660	13.4
127.05479	1.2
128.06207	2.6
129.07014	4.5
131.04941	3.2
131.08495	1.3
133.02885	2.1
133.06470	6.3
135.04404	1.9
137.05981	100.0
138.06277	1.4
141.01810	1.2
141.07002	1.2
143.04947	1.3
144.05690	3.7
145.06506	2.4
146.03648	1.7
147.04372	2.1
147.08093	1.2
149.05992	8.0
150.06729	2.1
151.03873	1.1
151.07585	1.7
155.04871	8.3
155.05981	1.6
159.08093	8.3
161.05972	14.8
163.03917	1.8
165.06999	4.9
167.07040	2.0
172.05153	3.3
175.07521	3.9
179.08516	2.0
187.07561	30.1
187.09264	1.5
188.07944	1.5
189.06972	8.6
189.08662	1.3
190.07771	26.7
191.08565	56.8
192.08934	2.6
195.08038	1.5
202.07744	1.9
203.08549	1.7
205.06473	6.2
207.08115	6.8
208.08833	6.7
217.06573	1.5
218.07277	15.4
219.08063	66.3
220.08751	9.2
221.05940	3.5
225.09048	1.4
233.06081	1.3
233.09526	1.5
235.07571	10.4
236.08334	16.2
237.08974	5.1
244.21019	1.2
246.06723	2.9
247.07561	27.7
248.08188	5.0
249.05553	1.5
250.09839	1.7
251.10678	85.3
252.10851	5.2
253.08585	8.9
258.44348	1.3
261.09143	4.3
263.06982	2.7
264.07858	10.0
265.08514	5.1
266.05652	1.6
268.10825	3.1
279.10150	65.2
280.07721	1.8
280.10803	7.8
281.08136	9.1
283.09543	3.1
283.13031	2.3
293.11612	2.1
296.10379	12.2
311.09488	3.8
311.12747	77.7
312.13202	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	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01865	2.6
55.05500	2.0
57.07079	8.7
65.03936	1.0
67.05492	3.6
69.07053	1.6
69.51409	2.1
69.51820	2.9
72.08144	0.9
79.05499	5.2
81.07058	5.8
83.04979	2.3
83.08625	1.1
85.06564	0.8
91.05475	5.7
93.07038	2.1
94.04190	4.9
95.04959	1.4
95.08606	3.2
97.06528	2.1
98.23341	1.0
103.05477	1.7
105.07030	7.7
107.04926	2.0
107.08567	2.2
109.02869	1.0
109.06526	5.8
109.10144	1.2
111.04446	5.5
115.05462	3.5
117.03400	0.8
119.08572	1.5
121.06483	1.8
121.10145	1.3
122.03643	12.2
122.55263	0.8
123.04436	0.8
123.08010	1.0
125.05960	2.3
128.06209	1.9
128.07161	0.8
129.06989	3.6
131.04916	2.2
131.08559	2.3
133.06477	5.8
133.10094	1.4
135.04413	2.2
137.05980	100.0
138.06374	1.4
141.09024	0.9
144.05727	2.8
145.06508	1.8
146.03638	1.1
147.07994	1.0
149.05988	4.8
151.07506	1.9
153.05518	4.7
153.06755	1.0
155.04922	8.9
155.06049	1.7
155.08609	1.0
156.05704	1.0
157.06458	0.8
157.10150	1.2
159.08061	7.6
161.05998	11.7
163.03917	1.0
163.07640	1.2
163.11230	1.4
165.06961	5.1
165.09052	0.9
167.08450	1.0
171.04378	0.9
172.05241	1.7
175.07539	3.2
178.07724	1.1
179.08539	1.8
180.09343	2.3
181.04926	2.7
181.12263	2.1
187.07538	22.2
189.07036	7.1
189.08594	1.4
190.07765	27.9
191.08563	55.2
191.10564	3.7
192.08900	2.6
193.09976	0.9
194.07251	1.4
197.09610	1.1
201.07034	1.1
202.07738	2.4
203.08582	1.7
205.06474	3.5
207.08061	8.1
208.08818	6.8
209.09767	1.3
209.11711	24.9
210.12186	1.1
218.07260	14.4
219.08049	64.6
220.08643	8.1
221.05913	2.5
221.09480	0.9
223.11156	2.1
225.09169	1.1
229.07611	2.6
233.09576	2.3
234.10477	1.0
235.07506	9.2
236.08296	13.3
237.09007	3.0
237.11165	20.8
246.06737	2.7
247.07570	25.7
248.08121	5.2
249.05510	1.7
249.08865	1.3
251.10681	96.8
252.11101	5.1
253.08598	5.3
255.12215	3.4
261.09174	3.2
262.09998	1.0
263.06992	2.3
264.07870	10.2
265.08539	2.4
267.09976	1.1
278.09219	1.4
279.10162	66.3
280.10745	7.5
281.08121	8.3
282.08554	1.0
295.09610	1.5
296.10480	9.6
311.12759	52.7
311.19983	3.4
311.23785	1.9
312.13147	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
52.86358	2.1
53.03938	8.3
53.80792	2.0
55.01883	17.7
55.05514	20.1
57.03433	7.6
61.02927	20.6
65.03937	4.5
67.01885	2.1
67.05510	21.4
68.99804	12.0
69.03431	31.4
69.07066	8.9
69.64002	2.1
70.56992	6.3
71.04990	27.1
73.02909	9.3
79.05493	37.5
81.03413	11.4
81.07057	16.9
82.72688	2.1
83.04986	53.4
83.08611	3.2
85.02908	14.2
85.06528	4.4
87.04475	3.1
91.05488	57.1
93.03392	7.3
93.07044	40.2
95.01327	2.8
95.04982	18.5
95.08619	17.1
97.02908	7.2
97.06525	9.7
103.03954	11.5
103.05461	11.5
105.03394	2.7
105.07032	49.9
107.04955	19.1
107.08599	16.8
109.02875	3.7
109.06523	13.6
109.10159	3.7
111.04441	30.3
111.08060	3.4
111.55239	2.3
112.87787	2.2
115.05452	16.5
115.98112	1.9
116.06217	3.7
117.07038	20.9
119.04916	8.0
119.08579	18.6
120.76727	2.4
121.02876	6.2
121.06516	39.1
121.10134	6.7
122.03626	8.4
122.06891	2.3
123.04456	3.2
123.08049	9.6
125.09623	4.4
127.05492	3.2
128.06230	5.9
129.06996	17.4
130.07791	5.0
131.04889	4.9
131.08586	15.7
132.05644	2.8
133.06512	18.7
133.10136	8.8
135.04408	6.5
135.08051	22.0
135.11732	4.0
137.05977	100.0
139.07553	5.7
140.05246	2.2
140.44945	2.5
141.05461	3.0
141.06921	4.4
143.08572	4.0
144.05730	9.0
145.06497	14.9
145.10094	11.8
147.08006	17.4
149.05983	33.8
149.09605	13.7
151.07552	8.3
151.11162	3.1
152.06171	2.5
155.04921	4.8
157.06520	3.1
158.07294	3.0
159.08047	15.8
159.11775	3.2
161.05991	22.5
161.09639	17.1
163.07553	17.3
163.11221	12.6
165.07019	6.8
165.09172	4.7
167.07060	3.2
171.08003	3.1
173.06070	3.4
173.09575	5.4
173.13113	2.2
175.07610	11.0
175.11211	4.7
176.08243	4.9
177.09163	12.3
179.10669	8.8
185.09599	3.2
187.07535	34.7
187.11195	4.4
189.07080	5.0
189.09106	7.9
190.07777	18.5
190.09583	3.5
191.06897	3.2
191.08562	50.3
191.10672	62.8
192.11008	5.0
193.08589	3.0
193.10274	2.2
193.12251	6.5
201.09244	3.0
202.07765	4.3
203.10645	5.4
205.08658	2.5
205.12224	6.9
207.08202	3.9
207.10123	4.2
208.08820	4.8
215.10664	6.2
218.07278	11.3
219.08072	64.5
219.10081	3.2
220.08665	5.3
221.11838	2.7
222.12524	5.4
229.07622	2.6
233.11685	7.7
235.07422	7.4
236.08347	15.5
237.09052	5.5
247.07562	27.0
248.08109	2.9
251.10703	79.7
252.10988	3.5
253.08604	7.0
261.08911	3.4
263.06940	3.4
264.07724	7.4
265.08466	4.4
267.10239	2.6
275.12857	4.2
277.34424	2.5
279.10126	53.8
280.10736	8.3
281.08054	9.4
293.13779	4.9
296.10507	10.2
311.12527	39.9
311.15060	41.4
312.12903	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01873	23.1
55.05514	33.2
57.07076	16.2
67.05517	49.7
69.07072	22.5
70.62006	7.5
71.05005	9.6
71.08637	19.6
72.08171	7.3
79.05495	34.7
81.07063	54.6
83.04993	17.5
83.08636	17.7
85.10181	9.7
91.05472	26.3
93.07046	35.1
95.04963	16.3
95.08614	44.4
97.06541	14.9
97.10181	15.4
99.08105	22.1
105.07041	22.3
107.04949	6.5
107.08598	34.4
109.06592	8.4
109.10168	19.9
111.04404	5.8
111.08099	15.1
113.05964	5.2
113.09637	9.3
119.08595	16.4
121.06514	7.4
121.10167	26.6
123.08062	7.3
125.09639	16.1
131.08537	5.9
133.10161	21.8
135.08051	6.2
135.11650	6.8
137.05981	29.1
139.11180	12.9
139.32288	4.3
141.09096	9.1
141.48123	5.0
145.10107	8.1
147.39215	5.6
149.09702	11.4
149.13297	5.2
151.11203	14.0
155.08569	5.7
157.10187	5.7
159.11652	9.3
161.06007	9.4
161.09650	10.4
163.11171	11.3
165.12772	6.1
167.10712	22.4
181.12234	5.9
187.07544	10.0
191.08595	9.9
195.13866	7.2
219.08086	14.3
221.15308	5.4
223.13394	6.3
236.08365	6.2
247.07591	5.9
247.20619	9.5
251.10664	13.4
265.21552	6.7
275.20175	28.2
279.10178	23.2
293.21091	100.0
294.20969	8.4
294.73676	5.3
311.12750	23.0
311.22156	16.8
312.15659	8.8
312.25302	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03953	2.4
55.01862	6.2
55.05511	25.5
57.03434	5.1
57.07075	5.4
58.53658	1.2
59.04998	2.0
61.08008	1.3
65.03947	2.9
67.05506	100.0
69.03444	6.5
69.07066	15.2
69.62013	7.2
71.04996	10.2
71.08630	41.3
79.05496	27.3
79.40377	1.4
81.03432	4.7
81.07056	43.1
82.07381	2.2
83.04980	16.8
83.08631	12.9
84.94918	1.2
85.02875	2.4
85.06544	7.1
91.05485	20.9
93.07040	32.8
95.04974	9.5
95.08608	78.0
95.41722	1.3
96.08977	2.1
97.06532	9.5
97.10168	5.8
99.08089	31.1
101.06032	1.5
105.07040	13.4
107.04957	2.5
107.08599	14.8
109.06538	4.3
109.10159	64.4
110.10519	1.7
111.08094	4.5
115.05502	1.7
117.07027	5.0
119.08589	12.1
121.06544	2.4
121.10143	12.2
123.08084	4.2
123.11718	4.3
125.09657	5.2
127.11234	3.2
129.07031	2.7
131.08565	6.5
133.10126	10.3
135.08044	3.1
135.11688	8.5
137.05998	6.0
137.09601	9.0
139.07587	1.4
139.11179	48.7
141.09116	4.4
141.12773	1.6
143.08655	2.1
145.10126	4.3
147.11710	3.6
149.09630	3.6
149.13249	8.0
151.11183	22.3
153.09056	1.3
155.08582	1.3
155.10670	9.3
157.10165	2.1
159.10184	12.9
159.11676	8.0
161.09650	7.5
161.10857	1.7
161.13298	3.6
163.14830	4.6
165.12767	3.6
169.10107	1.2
173.09491	1.4
173.11761	34.4
173.13213	3.5
177.12762	12.4
177.16342	1.9
179.10756	4.4
180.85025	1.2
183.11838	1.5
187.14905	1.6
190.07819	1.5
191.08600	3.8
191.14423	2.2
195.13841	5.2
201.12895	1.4
219.08012	4.6
229.19606	2.7
245.08134	1.4
247.20616	7.9
248.20612	1.7
251.10701	4.7
251.16339	1.5
257.19003	4.4
265.21649	10.1
266.21796	1.8
275.20056	19.0
279.10220	6.0
280.10825	1.8
293.21115	74.6
294.21585	3.0
296.10397	1.7
311.05524	2.2
311.09216	1.3
311.12686	4.8
311.22351	16.5
315.39832	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	5.4
54.59263	2.3
55.01874	17.7
55.04136	2.6
55.05515	89.7
57.03418	2.8
57.07066	3.6
58.10666	2.4
65.03947	3.9
67.05505	38.8
69.03432	8.7
69.07068	19.2
71.04988	5.7
71.08639	25.7
71.09814	2.5
78.12556	2.4
79.05492	39.3
81.03425	30.8
81.07063	50.3
83.04996	19.7
83.08624	58.2
85.06566	3.3
91.05489	27.7
93.07046	29.4
94.72618	2.8
95.04969	41.2
95.08611	20.7
97.06538	7.7
97.10181	42.8
99.08112	20.4
105.07032	17.9
106.34018	2.6
107.04955	10.9
107.08594	30.1
109.06517	5.2
109.10160	19.0
111.04446	8.9
111.08119	12.1
113.54380	2.5
117.07028	8.1
119.08585	12.3
121.06506	6.0
121.10131	13.5
123.08082	3.7
125.09630	34.9
129.07036	5.7
131.08557	12.8
133.10162	13.0
135.08069	5.9
135.11691	9.1
137.05925	4.1
139.11232	4.9
143.08478	3.0
145.10152	10.9
147.08078	3.0
147.11674	5.8
149.09618	17.8
149.13271	2.9
153.09117	5.4
157.10181	5.2
159.11684	5.9
163.11191	57.1
164.11543	5.5
165.12790	5.2
167.10706	2.9
169.12241	3.0
171.11624	3.3
175.11198	5.6
177.12738	8.8
181.12204	3.7
185.11702	3.1
187.11150	2.8
189.11227	15.0
193.12238	17.7
195.13841	22.1
211.13290	11.0
223.13306	10.8
229.19704	3.2
247.20638	7.0
251.10883	3.1
257.19089	5.3
275.20090	23.5
293.21124	100.0
294.21295	5.8
311.22238	7.5
323.41635	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03948	7.8
55.01883	10.5
55.05516	37.7
56.79983	3.5
57.03434	6.9
57.07066	8.4
58.53721	3.5
65.03918	4.1
67.05510	82.9
69.07070	28.9
69.46951	3.2
71.04997	10.4
71.30994	5.9
79.05505	48.2
81.03441	7.1
81.07063	90.9
83.04978	11.6
83.08640	21.3
85.06557	6.5
88.23875	3.9
90.87543	3.9
91.05492	44.7
93.07047	56.2
95.04978	18.7
95.08607	57.4
97.06543	19.6
97.10164	17.4
99.08052	4.3
101.01725	3.8
105.07038	52.3
107.04984	7.9
107.08615	38.9
109.06535	11.3
109.10163	35.9
111.08078	8.9
117.07021	15.6
119.08584	42.2
121.06501	10.7
121.10143	30.3
123.08035	17.6
123.11704	13.0
125.09634	14.7
129.07092	4.5
131.08557	20.7
131.14760	4.2
133.10138	42.7
135.08069	8.1
135.11707	12.9
137.09650	8.7
141.07030	5.0
143.08569	4.0
145.10147	24.4
147.11681	24.0
149.09621	10.3
149.13335	8.0
155.08565	3.8
157.10115	8.6
159.11732	14.6
161.13269	10.2
163.11124	7.2
165.12724	5.0
169.10112	5.0
171.11720	4.6
173.11761	9.0
173.13278	11.5
175.11098	5.0
187.10985	4.1
189.11302	5.7
195.13879	4.1
197.13350	4.9
213.53391	3.9
219.17599	4.8
235.17081	4.8
239.17978	9.9
242.10944	3.9
247.20583	8.1
249.18562	7.4
251.10721	4.6
257.19141	13.7
265.21646	5.1
275.20078	100.0
275.22971	6.0
276.20569	5.6
279.10065	6.8
293.20932	26.1
294.21432	4.1
306.53415	4.1
311.09045	5.6
311.22812	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03940	2.8
55.01883	6.9
55.05514	10.1
55.17831	1.1
57.03429	4.1
57.07079	10.6
59.04971	1.0
65.03912	1.4
67.05505	38.1
68.05824	1.5
69.03417	2.1
69.07069	13.1
70.04922	1.4
70.05280	3.7
71.04987	3.5
71.08634	1.5
79.05494	19.0
81.03416	9.4
81.06583	1.7
81.07059	26.9
83.04989	7.8
83.08619	4.7
85.06546	2.6
85.10179	3.9
91.05489	13.3
91.28474	0.9
93.07052	19.6
95.04984	6.0
95.08607	100.0
96.08941	2.1
97.06537	8.2
97.10152	1.4
102.46859	0.9
105.07036	8.4
107.04968	1.8
107.08588	9.6
109.06508	3.2
109.10150	11.3
111.04432	4.0
111.08095	2.3
113.06011	1.0
113.09644	3.8
117.07017	3.3
119.08575	5.4
121.06496	1.3
121.10130	6.2
123.08073	4.6
123.11691	2.7
125.05993	1.6
125.09673	1.9
131.08578	4.7
133.10098	3.6
135.04457	1.5
135.08098	1.7
135.11685	3.4
137.05949	1.3
141.09094	9.0
145.10109	3.9
147.11731	2.2
149.09669	1.2
149.13338	1.1
151.11171	3.7
153.05464	4.0
157.10159	2.4
159.10188	38.6
159.11667	3.6
161.13260	2.1
163.11119	1.9
163.14911	1.3
165.12808	5.2
173.09630	1.2
173.13264	2.2
179.14401	1.0
181.12201	2.7
191.10661	3.4
195.13857	2.8
202.70134	1.0
209.11725	21.1
209.13527	1.6
219.17406	1.6
229.19618	1.8
229.49382	0.9
237.11211	18.2
238.11665	1.5
247.20566	4.0
255.12248	2.5
259.65472	1.1
265.21637	68.4
266.21948	3.7
275.20020	1.9
293.21234	1.4
294.20477	1.5
311.19327	1.7
311.22418	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	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.63387	3.2
51.51368	3.0
53.03934	5.2
55.01871	13.4
55.05272	6.6
55.05516	78.6
57.03431	5.8
57.07069	13.8
61.29304	3.3
67.05512	41.0
67.05849	5.7
69.03422	7.4
69.07066	19.9
69.50954	7.8
69.51344	10.2
71.04974	6.2
71.08631	23.7
71.36146	3.1
79.05496	34.4
81.03424	18.9
81.07067	52.0
83.04981	20.3
83.08624	46.7
91.05478	21.5
91.47134	3.3
93.07056	27.4
95.04974	44.7
95.08621	20.1
97.06504	8.8
97.10168	47.7
98.23365	4.3
99.04444	4.2
99.08090	21.2
105.07019	16.6
107.04969	7.0
107.08597	36.6
108.08913	4.6
109.06526	7.8
109.10162	21.1
110.09329	3.5
111.04440	15.2
111.08083	9.6
117.07008	7.4
119.08581	16.7
121.06525	4.1
121.10143	13.2
123.08144	3.7
123.11707	6.5
125.09625	28.0
129.07002	6.0
131.08568	12.1
133.06465	4.4
133.10173	7.3
135.08032	6.3
135.11707	11.6
137.05992	12.2
143.08556	3.6
145.10161	17.6
147.08022	4.2
147.11682	9.5
149.02361	8.1
149.09612	13.8
153.09061	5.1
155.08563	3.8
157.10135	8.1
159.11732	8.8
161.13278	4.1
163.11191	49.3
167.10806	6.1
169.10081	4.3
175.11171	6.4
177.12756	5.5
179.10722	3.9
185.09593	3.9
189.11276	19.1
193.04936	13.6
193.12302	11.2
195.13840	14.1
211.13321	11.0
219.08098	5.2
223.13210	8.2
237.11327	3.9
247.20522	4.9
251.10721	5.7
275.20105	29.0
276.20425	7.5
279.10168	7.4
293.21106	100.0
294.21381	7.7
311.12796	4.8
311.19781	7.4
311.24829	16.6
311.74689	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.77105	8.0
55.01870	8.9
55.05505	37.2
57.03445	14.3
57.07075	36.5
63.04240	6.2
65.03884	7.1
67.05506	88.0
69.03420	9.1
69.07082	23.3
70.06606	9.9
71.04992	14.5
71.08639	54.9
79.05508	42.3
81.07059	55.0
83.04993	52.0
83.08620	21.1
91.05485	41.6
93.07050	55.1
95.04977	15.8
95.08608	61.2
97.06527	16.3
99.08096	37.9
105.07036	22.7
107.08589	26.4
109.06533	8.1
109.10172	71.1
111.04433	15.1
111.08012	7.3
119.08587	27.9
121.10160	16.5
123.11722	9.4
125.06080	6.9
125.09662	7.1
127.29771	6.7
129.06992	10.7
130.17937	6.3
131.08571	13.2
133.10143	19.7
135.29338	8.9
137.05983	28.5
137.09645	18.9
139.11205	76.7
143.08601	10.8
145.10144	16.4
147.11737	7.5
149.02362	8.9
149.09637	8.3
149.13365	10.4
151.07635	8.7
151.11218	26.1
153.05450	14.6
155.10652	11.5
161.09602	15.6
163.11209	13.9
170.10893	7.1
173.11746	29.6
173.13153	10.9
177.12837	10.0
181.04961	8.9
181.12221	11.1
187.07524	11.8
191.08560	12.3
191.10721	12.9
193.04982	13.9
195.13834	7.5
197.13144	7.3
209.11688	88.9
209.13283	10.2
219.08049	17.6
237.11201	58.4
247.20618	7.5
251.10672	25.1
255.12204	16.6
257.18900	11.2
264.07980	7.8
265.21869	11.7
275.20139	33.4
276.20270	7.5
279.10138	18.1
293.21115	100.0
294.21170	8.1
311.12711	15.9
311.20044	24.3
311.24451	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03937	5.1
55.01858	7.8
55.05519	19.2
57.03436	28.8
57.07079	35.4
67.05508	47.3
69.07085	17.6
69.50636	6.2
69.51018	8.5
71.04977	4.9
72.08160	4.5
76.38763	3.5
79.05497	32.9
81.07061	65.6
83.04974	13.1
83.08597	11.6
85.06547	6.3
87.04512	3.3
89.14001	3.3
91.05482	19.7
93.07047	43.9
95.04967	5.1
95.08616	63.0
97.06535	7.1
97.10176	4.3
97.98553	3.4
99.08118	5.7
101.06020	6.5
105.07039	16.5
107.04950	5.1
107.08589	28.6
109.02864	5.3
109.06474	3.9
109.10168	40.5
111.04454	22.0
111.08066	8.1
117.07088	6.0
119.08591	13.4
121.06496	4.0
121.10149	32.4
123.08034	6.8
123.11742	9.1
125.05973	6.6
131.08562	10.1
133.10115	14.9
135.04378	3.5
135.11708	20.0
137.05957	5.0
143.08607	5.1
145.10136	13.0
147.11624	7.5
149.09641	6.9
149.13268	11.8
153.05472	15.4
157.10132	5.3
159.11694	9.2
161.13297	5.4
163.11203	8.2
163.14836	6.8
165.12859	3.6
169.10115	3.6
171.11685	3.6
173.13293	8.5
175.14796	10.5
177.16360	4.6
179.14282	3.7
181.04990	8.1
181.12251	6.3
183.11638	4.6
185.13197	4.2
191.10687	11.6
201.16428	6.9
209.11728	100.0
209.13193	4.0
219.17525	5.8
229.19467	7.1
237.11197	69.4
238.11520	4.2
247.20602	6.1
255.12337	18.1
265.21631	10.0
277.21625	17.0
288.62628	3.3
293.21393	17.8
311.16769	3.1
311.20035	16.3
311.23593	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01876	4.2
55.05507	9.4
57.03440	1.6
57.07073	8.9
61.48152	0.7
65.03929	1.8
67.05507	57.8
68.05838	0.9
69.07073	10.1
71.04990	4.1
71.07658	1.4
71.08636	1.1
79.05490	14.1
81.03413	1.0
81.07061	28.1
81.51598	0.8
83.04976	2.7
83.08623	3.9
85.06542	4.8
87.04429	0.9
91.05487	6.7
93.07047	15.1
93.61942	0.7
95.04968	2.2
95.08610	100.0
96.08928	2.5
97.06525	6.3
97.10169	2.1
101.06031	1.1
105.07030	7.0
107.04951	1.1
107.08599	10.9
109.06538	1.9
109.10161	28.2
110.10504	1.3
111.04453	3.8
111.08083	2.4
113.09691	1.2
117.07017	1.5
119.08599	3.9
121.06577	0.9
121.10143	10.8
123.08076	7.1
123.11684	2.4
123.47776	0.8
125.06071	1.1
125.09601	1.2
127.20419	0.9
129.07005	1.2
131.08540	3.0
133.10124	3.7
135.04373	0.8
135.11687	7.2
137.05966	1.7
137.09625	1.3
141.09103	10.7
143.08578	0.9
145.10066	1.6
147.11650	2.7
149.13243	4.6
151.07457	1.0
151.11188	1.5
151.70642	0.8
153.05469	3.8
154.01833	0.7
157.10085	1.4
159.10190	37.6
159.11647	3.2
160.10538	0.9
161.13344	1.0
163.11249	1.2
163.14778	3.1
169.10095	0.8
169.12320	0.9
173.13252	2.0
175.14821	1.0
180.39487	0.8
181.04884	1.2
181.10132	1.0
181.12224	2.0
181.15938	1.2
183.03049	0.8
184.99983	1.2
187.14767	1.3
190.76553	0.8
191.10677	3.1
193.08524	1.0
195.10027	0.8
201.16377	1.0
209.03497	1.0
209.09909	1.7
209.11748	21.9
216.11467	1.2
227.04758	3.1
229.19582	1.6
237.11208	17.5
247.20605	3.7
251.08429	1.7
255.12202	3.9
265.21713	9.8
269.09421	2.5
293.21106	8.5
304.77371	1.0
311.10538	1.7
311.22455	6.3
317.17938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57710	6.1
55.05519	31.6
55.44330	5.6
57.07077	33.7
67.05521	36.9
68.08082	5.6
68.37455	6.8
69.07074	62.4
69.08540	22.2
69.08962	30.1
71.08628	7.1
79.05492	24.5
81.07059	37.7
83.04965	7.7
83.08627	21.1
91.05477	40.1
93.07050	100.0
95.04974	54.5
95.08608	81.0
97.06535	29.0
105.07038	64.1
107.08591	53.6
109.06516	9.6
109.10165	30.4
111.04436	18.7
117.07035	14.1
119.08588	59.5
121.06499	12.5
121.10139	50.5
123.08085	14.8
123.11726	21.4
131.08598	28.7
133.10141	39.1
135.04414	33.1
135.08101	12.4
135.11705	18.8
137.13321	6.4
142.07825	9.1
143.02458	6.7
143.08586	6.5
145.10161	34.5
147.11728	17.4
148.81116	6.1
153.05441	8.3
154.52740	6.5
157.10173	27.5
159.11684	50.0
161.09619	22.9
161.13281	18.2
169.10150	11.3
171.11752	12.5
173.13229	9.2
175.14937	14.5
177.16426	24.1
181.05119	8.0
181.10086	8.3
185.13243	11.3
187.14862	11.9
189.16461	13.8
191.10657	8.6
199.14891	8.6
201.16391	11.0
209.11684	81.3
209.13336	7.5
215.17940	9.4
223.14738	8.7
237.11261	85.3
238.11554	7.3
255.12273	7.6
293.22501	11.7
311.09238	14.3
311.23438	52.3
311.26883	8.9
311.31393	19.8
312.32562	17.3
312.36057	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	311.2579
Annotation	AS 183
Peak:m/z	Relative Intensity
50.24997	0.9
53.03944	2.4
55.01878	2.1
55.05513	72.5
56.05831	1.4
57.03441	32.6
57.06794	1.9
57.07077	36.3
61.05054	1.1
67.05506	16.7
67.09761	1.0
69.07069	78.3
70.46436	3.0
71.05009	1.3
71.08635	18.7
73.02929	1.3
79.05499	8.4
81.07055	18.2
83.04980	2.3
83.08620	69.4
84.08958	1.6
85.10178	7.2
91.05484	2.8
93.07049	11.6
95.08604	13.8
97.06522	7.5
97.10173	44.7
98.10483	1.2
107.08590	11.1
109.10150	6.1
111.04447	1.9
111.08080	2.6
111.11725	12.6
115.07533	1.1
121.10149	11.2
122.07170	1.1
123.11697	3.5
125.09599	2.5
125.13255	3.7
129.09184	1.3
135.04391	3.7
135.11691	8.7
139.11317	1.3
140.89427	1.2
143.04282	1.3
149.13246	5.0
153.05498	2.1
161.09625	1.2
163.14784	2.2
181.04927	2.1
209.11700	9.9
219.21112	3.2
237.11214	8.5
237.22084	1.8
255.12198	1.7
294.20685	2.7
311.25784	100.0
312.26135	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	1.1
55.01874	2.2
55.05516	62.5
57.03442	25.5
57.07080	33.3
65.50644	0.7
67.05510	8.8
69.03983	3.8
69.04404	2.8
69.07075	63.7
70.07407	0.8
71.04985	1.0
71.08636	19.6
73.02910	1.8
79.05497	6.0
81.07061	11.1
83.04966	1.8
83.08625	54.9
84.08947	0.9
85.10176	5.7
91.05489	1.1
93.07056	8.1
95.08614	10.2
97.06526	5.2
97.10176	45.7
98.10499	1.1
105.07053	1.0
107.08601	4.8
109.10144	2.7
109.32774	0.7
111.08099	3.3
111.11004	1.4
111.11724	13.6
115.07491	0.8
121.10165	8.2
123.11729	2.3
125.09626	2.4
125.13301	3.5
132.93416	0.8
135.11716	6.7
137.13261	1.9
139.11191	2.1
149.13277	3.3
153.05444	0.8
163.14833	2.1
209.11703	3.5
219.21109	2.0
237.11226	3.1
237.22110	1.3
274.37802	0.8
311.25824	100.0
312.26199	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	311.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98044	1.0
52.26908	1.2
55.05505	8.3
56.82583	1.0
57.07077	9.2
67.05505	18.0
68.99792	1.4
69.07066	12.9
71.32327	1.4
72.04511	1.1
77.03893	1.3
79.05492	10.7
81.07059	30.4
83.04993	1.2
83.08614	4.7
89.96041	1.0
91.05479	11.3
93.07044	23.7
95.04961	1.4
95.08606	39.8
97.10152	3.9
105.06374	1.6
105.07032	18.3
107.08598	32.2
107.79088	1.1
109.09444	2.2
109.10156	32.2
111.04431	2.5
111.11679	1.7
117.07002	3.6
119.06084	1.4
119.08573	24.0
121.10137	24.1
123.11714	20.2
124.11926	1.1
125.05965	2.2
129.07011	1.4
131.08582	11.6
133.10132	28.1
135.04449	7.7
135.11700	13.8
137.13234	3.3
143.08594	2.9
145.10121	15.9
146.10535	1.6
147.11682	14.0
149.13245	9.1
153.05437	2.3
157.10088	5.0
158.10907	1.5
159.11693	17.5
161.09662	5.9
161.13266	10.0
163.11063	1.1
163.14818	5.0
171.11705	5.4
173.11905	1.3
173.13278	16.7
175.14832	7.4
177.16380	3.7
181.12291	1.1
185.13278	4.6
187.14848	9.9
189.16388	7.7
191.10574	2.5
191.17952	3.9
199.14781	4.4
201.16394	11.8
203.17918	7.3
209.11743	16.8
213.16400	3.7
215.17973	8.2
217.19452	4.0
227.17911	5.5
229.19576	3.2
237.11212	13.3
241.19534	10.3
242.20288	1.3
255.12309	2.2
255.21040	9.3
269.22678	3.3
294.20746	1.4
311.27298	100.0
312.27673	8.4
313.75739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	32.9
57.07073	20.1
61.22391	4.0
62.84404	4.3
67.05509	35.8
69.07071	75.5
69.91248	4.0
71.04971	9.7
71.08630	11.6
73.06562	4.6
79.05502	19.5
81.07053	87.2
83.05006	6.5
83.08623	38.4
85.06545	14.7
90.59235	4.1
91.05483	16.1
93.07039	30.3
95.08604	100.0
97.10163	26.3
99.08103	16.7
105.07047	14.3
107.08588	25.3
109.10146	52.8
111.08064	8.4
111.11716	23.4
113.09638	4.3
119.08591	8.6
121.10151	18.1
123.08051	4.1
123.11699	28.5
125.09576	6.3
125.13253	8.9
131.08546	7.1
131.45555	4.9
133.10120	7.1
135.11703	8.4
137.05986	16.9
137.13274	19.6
138.44905	4.0
143.08554	8.4
145.10100	8.7
149.13283	13.6
151.14885	10.9
155.14288	8.6
157.10178	5.1
179.18027	5.9
191.08597	5.2
195.76068	4.2
202.21960	4.7
219.08043	7.9
236.08357	5.1
251.10722	6.5
258.61588	4.8
279.10294	8.2
293.28369	22.6
311.12714	15.9
311.29645	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	312.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59011	0.3
54.98647	0.4
56.96569	19.3
69.03403	0.4
69.94289	1.1
70.06594	0.4
71.05013	0.4
71.95275	2.9
72.08163	0.4
72.16328	0.3
74.97589	0.4
75.88268	0.3
83.97644	0.6
84.08147	0.5
84.37727	0.3
84.96044	0.6
85.02905	1.2
86.09711	1.0
97.02924	0.6
97.68301	0.3
98.97588	70.5
99.97943	0.6
102.48666	0.4
112.07674	0.3
114.95573	0.5
116.07082	0.3
116.98630	32.0
117.98985	0.4
124.00771	0.4
126.02296	1.0
127.03934	0.5
128.98631	0.4
132.96593	0.7
133.05003	0.5
134.99664	8.4
140.00244	0.7
140.03813	1.1
142.01773	0.4
142.05424	0.5
142.08636	0.4
144.03334	0.5
144.96808	0.4
150.07767	2.4
150.09146	1.7
153.00662	0.8
154.93358	0.3
156.96561	3.1
158.04906	1.8
160.06445	2.4
170.04915	0.6
170.06490	0.4
171.06795	0.5
172.94366	1.3
174.97653	17.5
175.97758	0.9
177.00961	0.4
178.07503	0.5
188.05959	0.7
190.95378	1.0
192.98724	11.6
193.00488	0.6
193.81421	0.3
193.98878	0.5
198.97595	6.2
199.97902	0.6
200.99232	1.4
202.97176	0.3
206.07019	1.0
208.99821	0.3
216.98711	68.1
217.98886	3.8
219.00279	2.4
219.02029	0.5
224.08070	0.6
232.96472	1.5
234.99763	100.0
235.99910	5.4
237.00037	0.6
240.00339	0.5
244.98196	0.8
250.97670	0.6
253.00896	2.6
258.01340	1.3
258.99625	0.7
262.98120	0.9
273.59760	0.5
274.97455	0.8
277.00818	1.4
280.99078	0.3
282.05029	0.6
285.04971	0.4
288.06027	0.9
290.00406	0.5
300.05835	2.0
303.06088	0.7
306.07236	1.0
312.05853	7.0
312.13263	1.0
312.17950	1.8
313.06464	0.5
321.06601	0.9
321.13202	0.7
321.56534	0.4
330.07108	56.1
331.07343	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55865	2.1
53.03931	2.9
53.65169	2.4
55.01890	2.1
57.03443	8.8
61.02926	8.8
65.70863	1.9
69.03432	17.9
69.07056	12.2
69.48205	11.8
71.05007	3.5
72.08177	2.8
73.02905	6.0
81.03429	8.1
84.04510	2.8
85.02910	100.0
87.04491	3.4
87.05156	2.0
87.08115	13.4
91.03958	7.8
93.17581	2.5
97.02892	25.2
99.04472	5.3
109.02904	6.4
110.03931	2.1
115.03934	2.9
124.03967	6.9
127.03927	22.5
133.08640	3.1
144.42120	2.2
145.04964	43.5
154.24745	2.1
163.06033	8.7
275.50821	2.1
312.07309	2.7
312.17953	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	312.3261
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
52.41798	0.7
55.05275	1.3
55.05514	17.3
57.03433	1.9
57.07079	10.2
58.06598	1.8
62.06089	9.0
67.05504	2.9
67.21186	0.8
69.06728	1.1
69.07072	15.1
69.07424	0.5
69.25365	1.8
69.25773	4.1
71.08639	4.7
72.08134	0.8
74.06062	1.3
79.05492	0.9
81.07059	3.8
83.08620	8.9
85.02874	0.8
85.10178	2.5
87.42789	0.8
88.97327	0.7
91.05472	0.9
93.07037	1.6
95.08591	3.5
97.07669	1.3
97.10182	5.0
98.56875	0.7
109.10164	2.2
112.03935	0.9
123.11662	0.9
133.10181	1.0
140.03426	12.1
141.04210	4.6
142.93875	0.9
152.06163	0.8
153.17932	0.8
154.04927	1.7
157.12302	1.6
181.04993	2.1
209.11627	1.1
210.12061	2.3
238.11583	2.2
259.08661	0.8
294.17310	1.5
294.20639	28.0
294.31631	2.9
294.82355	0.8
295.21024	1.6
312.11920	0.9
312.15594	1.4
312.32596	100.0
313.27432	8.5
313.32861	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	313.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11337	3.3
54.67633	3.8
56.18460	3.8
56.96565	45.2
60.04526	6.9
61.12197	3.6
67.46764	3.4
69.03442	7.0
69.87569	15.2
70.06599	8.3
72.08148	3.5
73.02899	4.2
79.91795	3.3
84.08178	3.5
84.79424	3.4
85.02936	8.2
85.70779	3.3
86.09715	4.9
97.02874	4.6
98.97588	100.0
108.08128	12.2
110.07233	4.0
110.97545	5.7
113.03507	3.5
116.98627	39.0
119.01949	4.6
128.98659	4.6
129.10301	4.8
134.99683	6.6
136.07568	5.4
150.07771	9.5
151.07300	7.8
152.07117	9.7
158.04880	4.7
158.99724	3.4
168.98079	7.9
172.94395	5.4
174.97710	16.4
175.97824	11.8
176.97472	3.5
177.00900	23.1
180.01237	7.0
186.99231	9.9
189.00792	3.7
190.95293	5.7
191.03844	4.6
192.98732	9.4
193.01945	4.9
193.98781	7.1
200.93933	4.2
203.02557	13.4
208.04463	8.7
216.98759	25.8
217.98883	47.3
218.95071	4.6
218.98558	12.7
219.01996	64.7
223.05525	10.4
229.01343	7.1
232.96440	5.1
234.99780	32.0
235.99947	61.4
236.99632	16.2
250.97523	3.9
254.04906	16.4
261.01123	4.1
262.99292	5.4
268.90170	4.5
277.00836	5.2
313.03177	80.6
313.06635	7.6
313.13101	4.9
314.09167	19.1
314.12527	6.0
331.07263	49.7
332.03525	6.3
332.06982	17.4
332.10498	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01858	9.6
55.05512	31.7
57.03442	15.8
57.07066	9.0
58.36722	3.3
59.04982	4.7
66.25385	2.8
66.36341	2.7
67.05503	61.6
67.71049	2.7
69.07069	22.5
70.35523	7.0
71.05000	23.0
71.08630	96.3
79.05492	29.4
81.07060	47.2
83.04980	23.2
83.08602	19.2
85.06531	9.6
91.05479	23.9
93.07046	40.1
95.04948	5.5
95.08601	33.1
97.06534	12.3
97.10182	15.2
99.08097	74.2
105.07043	18.2
107.04906	4.0
107.08610	31.5
109.06544	3.3
109.10159	23.8
111.08075	8.6
113.09682	3.5
117.07009	4.6
119.08594	13.9
121.10126	15.7
123.11724	6.3
125.09632	7.8
127.11222	17.7
131.08588	3.8
133.10126	10.7
134.86513	3.1
135.11656	17.2
139.11203	3.4
141.12746	80.8
145.10150	16.8
147.11664	7.0
149.13257	4.7
151.11194	16.7
153.12737	10.3
154.46466	3.5
157.10124	3.4
161.13255	21.3
163.11209	22.7
163.14749	4.4
165.12869	6.5
169.12247	38.0
175.14735	3.5
179.14293	15.0
181.12254	5.5
189.11208	7.0
221.15332	4.3
231.21094	7.2
241.19485	4.1
249.22104	4.4
259.20499	12.4
277.21677	75.2
295.22672	100.0
296.22879	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03934	12.1
55.01878	24.5
55.05519	55.7
57.07069	8.6
67.05505	100.0
69.03446	11.2
69.07088	49.9
71.04238	12.9
71.08636	18.2
79.05506	47.0
81.00182	8.5
81.03419	10.0
81.07062	84.5
83.04977	20.2
83.08620	33.1
91.05501	43.5
93.07052	59.6
95.04996	12.8
95.08603	45.5
97.06534	29.9
97.10162	18.5
105.07043	34.5
107.08591	54.9
109.10158	54.3
111.08069	20.1
119.08595	19.7
121.10146	24.2
123.08095	18.6
125.09628	22.2
133.10165	23.6
135.11667	20.6
137.09589	11.3
139.11177	19.5
145.10062	11.3
147.11687	17.0
149.13271	23.1
151.11192	13.6
159.11641	11.7
165.12804	14.3
167.10603	9.7
173.11662	19.4
179.14424	8.9
189.11174	9.4
195.13828	16.6
196.13309	7.8
249.22055	18.6
259.20706	13.9
277.21640	77.7
295.22678	27.6
313.25443	10.5
324.80292	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.4
57.03440	23.0
57.07080	67.2
57.37743	0.7
58.07405	0.9
58.25359	0.7
67.05512	12.1
69.07071	11.2
69.19743	5.0
71.08637	45.1
71.29991	0.7
75.04488	1.1
79.05504	1.5
80.70639	0.7
81.07064	19.5
83.08633	13.4
85.06553	1.0
85.10192	26.3
85.89536	0.7
89.06045	4.3
95.08614	26.2
97.06551	0.8
97.10162	8.1
99.11755	2.2
103.07574	2.1
103.25322	0.8
109.10161	13.2
111.11735	2.0
117.09119	0.9
123.11719	6.3
125.13288	1.3
135.11632	1.0
137.13278	2.3
151.14961	0.8
170.17519	0.7
173.71379	0.7
221.22566	0.9
239.23695	5.6
257.24792	7.5
313.27383	100.0
314.24719	1.1
314.27817	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.8
57.03437	21.5
57.07079	61.6
67.05501	13.4
69.05809	3.9
69.06222	10.2
69.07092	10.8
71.08634	41.6
79.05469	2.0
81.07056	18.7
83.08617	14.4
85.10181	24.2
89.06013	3.8
93.07050	1.7
95.08614	26.0
97.10164	7.2
103.07571	3.4
109.10152	11.7
123.11691	5.1
132.36298	1.5
173.71220	1.8
179.27150	1.5
222.81378	1.5
239.23692	6.4
257.24826	5.6
313.27356	100.0
314.27682	6.7
330.37054	1.8
331.64413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32280	1.0
53.03940	1.1
55.05513	13.8
57.03438	22.8
57.07079	69.6
67.05507	16.0
67.39846	1.0
69.07069	12.6
71.05007	1.3
71.08636	39.3
71.32120	1.3
79.05482	2.7
81.07053	21.4
83.05013	1.1
83.08624	17.3
85.02903	3.2
85.06525	1.4
85.10185	25.3
89.06032	3.8
91.05466	3.0
93.07076	4.1
95.08611	32.2
97.06538	1.7
97.10183	6.4
99.08033	1.2
99.11739	1.8
102.31654	0.8
103.07571	2.6
105.06996	1.8
107.08595	2.5
109.06540	1.3
109.10162	14.2
111.11751	1.7
117.09103	1.0
119.08610	1.6
121.10144	2.7
123.11713	5.7
133.10136	2.8
135.11673	1.5
137.13271	1.9
140.03474	1.4
149.13254	2.1
151.11194	1.5
151.14812	0.9
161.13237	1.2
167.14325	1.1
181.36568	0.7
187.62648	0.8
239.23660	6.3
254.01418	0.8
257.24777	9.2
295.20984	3.1
313.27377	100.0
313.33243	3.2
314.13864	2.4
314.27759	6.8
314.34097	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	1.0
55.05515	10.2
56.45150	0.6
57.03442	23.6
57.07078	73.9
58.07417	0.9
67.05507	13.8
69.06723	1.3
69.07069	13.5
69.08533	6.1
71.04980	0.8
71.06466	0.7
71.08633	46.3
79.05480	1.5
81.07059	21.2
83.04974	1.3
83.08621	15.8
85.06569	0.9
85.10181	22.6
89.06042	4.1
93.07011	1.2
95.08610	28.4
97.06545	0.8
97.10189	8.1
99.11722	1.4
101.72811	0.7
103.07576	2.7
105.07040	0.9
106.78811	0.7
109.10149	11.8
111.11707	1.7
112.63474	0.7
117.09164	0.8
123.11720	6.2
137.13252	2.9
140.03357	0.8
201.18562	0.7
211.29123	0.7
239.23682	4.1
257.24789	7.8
295.20834	2.2
298.27426	0.8
300.86682	0.7
313.27365	100.0
314.13846	1.3
314.27747	7.4
314.34116	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	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.43266	0.2
58.72094	0.2
59.76336	0.2
61.01160	1.3
62.91779	0.2
67.05525	0.4
69.03432	2.2
70.06593	0.6
71.01335	0.3
71.15530	0.3
72.08147	0.4
73.02919	0.4
75.02703	0.4
79.05486	0.2
81.03406	0.3
81.07062	0.6
83.04975	0.2
85.02898	0.7
86.09703	0.6
86.99080	0.5
87.02701	0.4
91.05511	0.3
94.04084	0.3
97.02896	48.9
98.03239	1.3
103.02179	0.3
103.63241	0.2
111.04484	0.3
116.98502	0.2
119.01664	0.5
119.03552	0.9
120.08101	0.3
135.05444	0.5
136.06189	100.0
137.04581	0.7
137.06525	1.7
138.09064	0.3
143.01628	3.4
148.06175	0.9
152.06985	0.3
161.02676	1.1
162.07784	0.6
164.05678	8.0
166.08716	0.2
176.05605	0.3
177.07866	0.4
178.07249	3.4
178.08665	0.3
179.03746	2.1
193.04927	0.2
193.09479	0.5
232.08269	0.4
248.07782	0.8
250.09462	0.5
278.07016	0.8
296.08105	3.9
314.09137	8.2
314.13568	0.7
315.09879	0.4
315.14059	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01876	2.6
55.05509	1.2
56.96564	13.2
57.03440	4.3
57.07070	2.2
60.04528	1.1
61.01155	1.7
61.02924	2.7
62.06072	1.2
64.30058	1.4
67.05502	2.5
69.03420	11.2
70.06599	4.4
71.04990	11.4
71.29866	1.6
72.08165	2.3
73.02918	3.6
81.03411	3.3
84.08124	2.8
85.02902	21.6
85.03371	2.1
86.09740	2.0
87.04478	1.4
89.06029	77.8
91.03983	1.9
97.02892	55.5
98.03214	1.2
98.97588	28.5
99.04461	3.5
99.89058	1.2
101.00907	1.2
103.61062	1.3
104.53870	1.1
108.08135	7.0
109.02930	2.6
110.97549	1.2
112.07596	1.3
116.07108	1.9
116.62397	1.2
116.98622	15.0
117.05506	1.5
119.01890	2.7
124.03908	1.1
127.03936	3.7
127.99986	1.5
128.98628	1.9
130.93304	2.2
132.06570	2.6
134.09637	3.7
134.99667	7.0
135.06525	27.3
136.06183	100.0
137.06598	2.5
143.01793	4.6
145.04980	3.4
151.21841	1.0
152.07063	4.3
152.10712	4.9
155.08031	1.1
158.88469	1.2
158.99638	3.1
159.03265	2.5
161.01404	1.0
161.02911	5.7
161.04353	1.5
161.87872	1.3
163.02727	1.5
163.06000	1.0
164.05678	4.0
164.07021	2.1
171.14812	1.1
172.94255	6.5
174.04404	1.7
174.97662	15.0
177.00739	2.9
178.07256	4.0
179.03745	1.7
182.07872	1.6
185.01221	1.7
185.02927	1.8
189.03993	1.6
190.95381	6.6
192.98701	11.8
200.99258	4.8
203.02296	2.8
203.04041	2.6
208.96480	2.3
214.95401	1.6
218.08191	1.7
219.00171	10.6
219.01802	1.7
225.00485	1.2
232.96407	8.4
233.08760	1.7
237.02756	3.1
244.98280	5.3
245.05035	1.4
246.97917	2.7
250.97650	5.6
254.04047	1.4
258.99893	2.4
260.09149	1.9
261.05896	2.5
262.99323	2.8
264.99057	2.4
269.18665	1.2
277.00848	2.3
287.09766	1.5
290.94864	1.1
290.98828	3.6
296.08133	3.9
296.11179	1.4
302.10239	1.5
314.09097	11.6
314.12274	9.8
314.16180	3.0
314.95370	1.3
315.07361	5.2
315.10477	30.8
332.96527	2.2
333.08548	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	314.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30672	0.1
55.05505	0.3
56.96555	0.5
57.07079	9.3
58.06597	1.3
60.04511	0.2
61.91934	0.2
62.05789	0.3
62.06094	3.6
69.07050	0.2
69.39501	0.9
71.08635	3.7
72.08160	1.7
74.06084	0.3
85.10198	0.8
87.29907	0.2
91.24768	0.2
94.86514	0.2
98.97591	0.3
100.16964	0.2
106.91642	0.2
108.40543	0.2
110.97571	0.2
119.51874	0.2
146.99730	0.2
156.17487	1.8
174.18529	5.4
174.36971	0.2
175.18929	0.3
180.89597	0.2
184.20605	1.9
197.76044	0.2
198.22198	0.3
202.21680	4.8
270.31598	0.3
274.97354	0.2
296.29477	0.6
296.33136	1.0
314.34161	100.0
315.16208	0.8
315.34503	7.3
333.17386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
57.03426	2.0
57.07085	24.0
58.06587	2.1
58.07396	3.2
62.06092	8.5
64.50851	0.8
66.73772	1.0
66.91731	0.9
67.05490	1.3
68.05840	0.9
69.07061	2.5
69.79726	2.3
70.07402	0.8
71.08638	11.7
72.08951	1.6
81.07034	1.5
83.08613	1.6
84.08926	1.1
85.10195	6.4
86.10509	2.1
91.05466	0.8
95.08611	3.6
96.08913	1.2
103.94438	0.8
109.10162	1.4
111.32386	0.9
161.68295	0.8
240.23856	0.9
257.15930	0.8
258.27765	1.1
296.33047	4.0
298.10773	1.9
299.11563	2.0
314.13910	3.4
314.27994	25.5
314.34161	100.0
315.23288	0.9
315.27844	1.3
315.34500	6.8
316.39508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1226
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
51.02375	0.7
53.03949	2.5
55.01873	3.2
57.03437	0.6
65.03934	2.0
67.05504	0.7
69.03407	0.4
70.06596	0.7
70.94051	0.7
70.94392	0.8
77.03928	0.8
78.04716	0.5
79.05492	3.4
81.03455	0.5
81.07056	2.0
86.09708	0.8
89.03893	0.9
91.05483	23.1
92.05843	0.5
93.07051	6.9
94.04180	4.1
95.04974	5.3
102.04676	0.6
103.05472	7.8
104.18201	0.4
105.03384	2.0
105.04471	0.9
105.07059	2.1
107.04958	3.9
109.06530	3.9
111.04446	0.7
115.05443	6.6
117.07029	6.5
119.04083	0.7
119.04949	14.2
121.02893	0.8
121.06517	9.4
122.03644	11.0
123.04437	6.3
125.05960	0.6
129.07007	1.4
130.04144	0.6
131.04916	1.8
133.06465	3.1
134.03586	0.6
135.04414	3.2
137.05975	100.0
138.06300	2.2
141.07024	0.5
143.04984	2.3
145.06490	9.7
147.04410	51.1
148.05045	1.4
149.05978	27.6
150.06781	3.2
151.03928	1.7
151.07567	1.1
153.05438	0.6
153.06990	1.4
154.34274	0.4
155.04915	2.3
155.06058	0.7
155.08516	0.6
160.05190	0.8
161.05983	9.7
163.03859	0.6
163.07545	1.7
165.05695	0.7
165.07010	5.6
166.07768	1.9
167.08572	0.8
169.06477	0.6
173.05994	12.0
174.06387	0.5
175.07481	0.8
178.07753	1.1
178.90573	0.4
179.08566	3.3
181.06464	1.5
182.07344	1.2
183.08095	1.2
187.07399	0.5
189.06992	2.4
190.07758	6.7
191.06995	2.2
191.08557	12.7
192.09161	0.4
193.06499	2.1
194.07251	1.9
195.02699	0.5
195.08099	1.9
197.05972	1.2
201.06895	0.5
202.07802	0.5
205.06541	1.0
207.08017	3.3
208.08789	1.8
209.06056	0.7
209.09610	1.6
210.06731	2.4
211.07555	3.1
218.07288	3.0
219.08054	16.3
220.08672	1.8
221.06027	1.8
222.06671	0.7
223.07532	1.2
225.05527	0.6
225.09048	1.3
226.06194	1.3
226.09924	1.2
227.06851	0.7
229.07582	0.7
235.07559	1.7
236.08293	2.2
237.09099	7.3
238.06284	1.3
239.06993	1.9
239.10732	0.7
247.07539	5.7
248.08035	0.8
250.06227	1.0
251.06865	0.5
251.10667	9.9
252.11163	0.7
253.08665	2.8
254.05612	1.0
254.09282	0.5
255.10115	0.8
264.07938	1.4
265.08609	7.7
266.09186	2.0
267.06659	0.8
269.08096	1.9
269.11755	4.2
271.09689	1.6
279.10153	4.6
280.10440	0.5
282.08920	1.6
283.09558	2.1
285.11197	1.2
297.11270	6.6
298.11691	0.6
302.64041	0.5
315.12210	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	315.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01857	0.5
55.05514	0.6
65.03946	1.7
67.05504	1.6
69.03436	0.7
70.06586	0.5
71.05005	0.4
71.30724	0.4
75.59315	0.3
79.05502	2.8
80.05011	0.7
81.03423	0.6
81.07058	1.9
85.02904	0.4
85.06537	1.7
86.09704	3.6
88.83158	0.3
89.03922	0.8
91.05488	2.5
92.05009	1.8
93.05794	1.1
93.07038	3.5
94.06567	3.2
95.04958	1.0
95.07369	2.5
95.08600	0.7
96.08136	5.6
97.06512	0.7
103.05468	1.2
105.07010	0.6
106.06564	1.8
107.04952	0.7
107.08605	0.6
108.08121	10.4
109.02910	0.4
109.06519	0.4
110.06097	0.4
110.09686	8.7
116.04970	0.9
117.05796	0.3
118.06535	1.0
119.07301	0.4
119.08558	0.7
120.04472	15.7
120.08106	8.2
121.06512	0.5
121.10113	0.4
123.04424	0.4
123.06802	0.6
124.07581	0.9
126.09151	1.0
131.08490	0.3
134.06021	3.7
135.08005	0.3
136.07582	20.3
137.05968	1.5
137.07886	0.4
138.05521	1.8
138.09146	10.1
141.06979	0.6
143.08580	0.3
144.04439	1.2
145.10152	0.4
148.07585	5.1
154.08635	22.7
155.08905	1.0
157.13364	1.5
161.05959	0.7
162.05507	100.0
163.05858	3.9
165.07016	0.3
166.08650	22.0
167.07368	0.3
167.08856	0.9
168.06856	0.3
168.36720	0.3
179.08786	0.3
181.06477	0.5
182.09583	0.3
184.09949	1.1
185.12936	0.7
194.07204	0.4
195.08044	0.5
198.11493	0.9
199.08755	0.3
199.12320	0.5
204.58353	0.3
211.07442	0.4
212.09435	0.9
221.05890	0.4
222.06766	0.3
223.07597	0.7
226.10979	0.4
227.11826	3.2
240.07672	0.3
254.10504	0.3
255.11487	2.6
269.12860	4.6
273.12305	2.1
283.09683	1.7
287.13885	1.0
295.52689	0.4
297.12393	9.4
298.12448	0.7
315.13330	7.2
315.19388	0.6
316.13864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.3
57.77141	0.8
65.03938	1.9
67.05495	3.6
69.03445	0.9
69.07072	2.8
69.76158	0.8
71.04981	0.9
71.30191	0.9
76.91154	0.7
79.05513	2.0
81.07056	3.2
83.04975	3.6
91.05484	2.7
92.04987	1.8
93.07050	2.0
95.04969	1.8
95.08622	2.0
105.03399	0.7
105.07030	2.0
107.08601	2.2
109.06599	0.9
109.10155	1.4
117.05828	0.9
117.07005	0.8
118.06545	0.8
119.08592	2.9
120.04479	2.8
121.10127	0.9
128.06229	1.4
129.07033	1.6
131.08582	1.3
136.07591	3.4
137.05975	1.4
141.07021	1.1
142.07722	1.2
143.08569	2.2
144.08116	1.3
145.10095	1.4
147.11632	1.1
148.03957	3.6
149.13272	0.9
152.06203	1.3
154.06532	1.0
154.07779	1.7
155.07288	1.0
157.10117	1.6
159.11732	1.2
161.07143	1.1
161.09715	1.1
162.05591	1.0
165.07036	1.8
167.07291	1.7
167.08574	1.6
168.08087	2.4
169.07619	1.3
169.08902	2.7
169.10231	1.2
170.08342	1.6
170.09669	1.5
172.07668	1.2
173.08344	1.4
182.09653	4.0
183.09210	3.1
183.11703	0.9
184.07568	1.4
184.09926	3.0
184.11264	3.2
185.10750	1.0
187.08731	2.9
189.10303	1.4
194.09692	1.0
196.07539	1.2
197.06898	3.7
197.08630	1.5
198.07773	6.3
199.08527	1.5
199.12434	5.2
200.10780	2.0
209.10817	1.6
210.09145	13.6
211.08565	5.6
212.09218	11.9
212.11031	2.2
213.10112	6.8
222.07909	1.5
225.06557	2.7
225.10236	1.5
226.07120	5.6
226.10753	1.4
227.08281	1.4
227.11804	26.5
237.10179	3.5
238.08652	4.2
239.08183	4.8
240.08913	14.3
241.09727	31.2
242.09996	1.5
254.10214	0.8
255.11314	100.0
256.11719	4.5
266.08081	1.2
283.10803	69.7
284.11081	4.2
315.13330	6.4
315.19604	2.7
315.23264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30495	0.4
55.05510	0.7
56.96561	0.7
60.04519	1.1
65.03934	0.6
67.05504	1.0
69.03420	1.1
69.07062	1.5
70.06596	14.9
70.87286	1.1
71.04995	0.8
71.06953	0.7
72.08153	1.3
80.74007	0.4
81.03446	0.6
83.04961	1.6
83.06110	1.0
84.04500	1.0
84.08130	1.4
85.02908	1.8
85.06503	0.6
86.09708	20.6
87.90522	0.5
91.05482	1.3
93.07058	0.7
95.04951	1.0
95.08550	0.5
99.04453	0.6
103.05482	0.7
107.04912	0.6
109.02870	0.6
111.04481	0.5
111.13049	0.6
116.07095	4.7
116.98637	0.5
117.51165	0.6
124.03985	0.6
127.03908	1.4
129.10307	0.8
131.04924	0.5
132.10193	0.6
135.04449	0.7
135.08057	0.6
135.09233	0.6
137.05933	2.6
137.09731	0.6
149.05997	0.7
149.36310	0.4
151.03915	1.1
153.05484	0.6
153.10216	1.0
154.08652	1.0
157.02505	0.5
157.06425	0.6
157.09714	1.0
161.05978	1.5
163.07607	0.5
167.08472	0.7
173.12935	2.5
183.16008	0.5
185.09207	0.7
185.14124	0.8
194.07249	0.8
195.08136	0.6
199.18073	4.6
201.12303	0.9
203.05353	0.9
203.13995	1.0
222.06705	0.7
223.07532	0.8
227.17511	1.8
255.10106	1.1
265.08554	1.3
283.09683	3.1
283.37723	0.6
285.11072	0.8
297.11148	0.9
315.14142	100.0
316.14597	5.5
316.17960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.7
55.01866	4.3
55.05517	19.9
56.10673	2.0
56.96556	4.7
63.15899	2.2
67.05507	17.5
69.03437	4.2
69.07070	3.1
69.49871	5.3
69.50283	7.6
71.04995	3.0
72.09530	2.3
79.05496	8.3
81.07039	6.9
83.04987	100.0
83.08607	2.6
87.97276	2.0
91.05486	17.0
93.07053	4.4
95.04962	8.9
95.08598	6.0
95.59859	2.2
97.06532	2.8
98.97569	4.1
103.05486	6.2
105.07006	16.5
107.08612	5.4
109.02874	7.9
109.06503	2.9
115.05473	5.6
116.98598	6.1
117.07013	7.0
119.04940	3.5
119.08573	3.0
121.06508	2.8
121.10172	3.1
128.06230	12.2
129.07016	9.6
131.08551	8.4
133.10080	5.3
135.08047	3.4
136.37378	2.1
141.06937	3.6
143.08589	6.6
145.06509	4.7
145.10126	8.2
147.07997	3.4
147.82613	2.3
148.05209	3.3
153.07001	6.2
154.07805	3.3
157.10109	4.5
158.07320	2.4
159.08060	2.9
159.11646	2.9
161.05952	3.7
161.09554	4.4
169.10089	2.8
171.08047	6.9
171.11778	3.7
172.08752	2.7
179.08731	2.5
187.11182	3.6
189.09129	2.4
199.11258	6.3
201.09061	2.4
207.03323	3.8
215.10765	4.6
233.11676	2.4
297.14920	2.8
315.15891	18.4
315.19507	9.9
315.22989	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	316.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47769	1.2
55.05506	2.0
56.96561	14.9
58.42209	1.1
68.52046	1.3
69.03430	3.8
70.03023	1.2
70.03352	4.0
70.06594	6.2
70.98116	1.1
71.95268	3.7
72.08151	4.2
81.03427	1.5
84.08141	13.8
84.96040	1.5
85.02919	4.1
86.09706	10.4
88.26688	1.2
88.53575	1.1
95.02405	1.3
97.02901	7.5
98.97585	87.7
108.08070	1.8
110.97574	4.0
111.08307	1.2
116.07120	2.5
116.98624	46.0
116.99432	2.6
119.01926	2.7
127.03954	1.2
128.66116	1.1
128.98622	4.3
129.10258	7.7
130.93330	3.3
131.01906	2.0
133.06073	4.9
134.99657	16.3
136.05185	1.7
136.06157	11.3
136.07574	14.8
143.01868	1.9
146.99666	1.9
147.05070	2.6
154.06105	8.7
154.08620	9.6
154.93315	3.7
155.04651	2.5
155.38524	1.3
156.03400	2.9
156.96629	1.6
157.13373	4.5
158.99724	2.4
159.03310	1.5
161.02908	2.1
164.07147	1.5
172.08238	1.8
172.94321	11.5
174.04402	2.7
174.97685	7.0
175.97786	8.9
176.97432	3.1
177.00861	2.5
177.04398	1.6
179.00766	1.3
185.12894	1.6
186.04436	5.9
190.09274	2.9
190.95367	9.7
192.98764	4.0
193.98750	6.7
194.98480	2.8
196.94427	2.3
201.99362	3.8
203.02477	2.1
204.05460	3.5
208.96483	3.5
214.09383	2.2
214.95341	9.4
216.98717	1.9
219.01984	2.2
220.00316	5.9
221.01762	3.4
227.06898	2.4
230.73140	1.4
231.00420	1.3
232.96457	22.0
233.96886	1.6
234.99829	2.7
237.02753	2.7
245.03471	1.8
245.98384	4.3
246.97902	2.1
249.01384	1.6
250.97496	8.9
256.96350	8.6
261.03134	1.6
263.99493	3.6
264.99051	1.6
274.97473	62.4
275.97919	1.8
279.00763	2.0
286.97443	3.6
291.97421	1.8
291.99075	1.9
292.98520	39.4
293.98941	1.4
297.98956	1.3
315.95721	1.6
316.07834	3.7
316.13724	100.0
317.06366	4.6
317.11832	15.0
317.21991	2.0
333.96704	2.2
334.10196	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01872	0.9
55.05507	1.5
57.03432	1.2
60.04523	1.5
61.02940	2.4
67.05524	1.1
69.03427	6.4
69.07075	6.9
69.17483	3.7
70.06594	7.5
71.04994	1.0
72.08157	16.9
73.02929	0.9
79.05492	1.7
80.05025	0.9
81.03436	3.6
81.05789	0.6
81.07053	4.4
82.06573	2.1
84.04498	1.1
84.08134	1.6
85.02912	11.1
86.09708	36.9
87.04467	0.9
87.05586	1.0
91.05479	5.6
93.05795	2.0
93.07032	1.9
94.06569	1.0
95.05001	1.0
96.08140	3.6
97.02889	4.4
97.06554	0.8
99.04445	1.5
105.07080	0.5
106.06484	0.6
108.08125	27.9
109.02873	2.0
109.06508	1.4
110.06059	1.1
114.35325	0.4
115.07576	0.7
116.07101	14.7
118.06586	0.7
119.04926	0.4
123.06773	2.2
124.03920	0.7
124.07601	19.1
125.07882	0.4
127.03911	3.0
128.10728	1.2
128.98698	0.6
130.06592	0.5
136.07591	15.2
137.05986	2.6
138.09149	0.9
145.04964	1.5
154.08635	100.0
155.06812	1.4
155.08975	3.4
166.08653	1.9
170.04123	0.5
171.14931	6.4
173.12869	6.7
178.08655	0.9
179.74371	0.5
185.04286	0.9
188.07086	0.7
196.09720	1.1
199.14441	2.8
199.18082	9.1
201.12306	0.9
203.13908	1.5
213.10359	0.5
213.19446	0.5
217.15445	0.7
227.17548	2.6
238.08992	0.5
257.09372	0.6
271.10657	0.7
277.55188	0.5
287.10229	2.3
299.10422	0.7
316.14005	1.4
317.11960	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	316.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05513	13.8
55.96085	1.1
56.05043	6.4
57.07081	13.8
59.88485	1.2
60.04534	14.7
67.05492	5.4
69.07069	1.8
70.01824	4.4
70.06589	5.0
71.04981	5.0
71.08614	6.3
74.06081	17.4
75.90930	1.4
77.03934	1.4
79.05492	5.7
80.32312	1.3
81.07053	4.6
83.04986	100.0
83.08578	1.6
86.45377	1.2
88.07635	46.2
91.05484	14.0
93.07047	5.7
95.04970	4.5
95.08627	2.8
100.07611	3.1
102.05543	3.5
105.07034	8.0
106.08651	7.4
107.08608	3.1
109.02858	1.9
115.05451	8.6
117.07023	8.0
119.08559	3.0
120.06573	4.1
121.06528	2.1
128.06252	7.0
129.06999	14.5
131.08588	4.1
133.06433	1.4
133.10123	3.0
135.08075	1.3
135.11681	1.2
141.07007	5.2
142.07759	4.6
143.08514	2.8
145.06519	2.3
145.10223	1.5
147.08069	1.9
147.11682	1.5
154.07797	1.6
155.08582	5.6
156.09297	2.4
157.10123	5.8
159.08089	1.7
165.07014	5.9
166.07770	2.3
169.06433	2.5
171.08028	1.4
171.11804	1.4
173.09644	2.0
174.08931	1.4
175.11186	6.7
189.12730	1.3
199.11211	3.6
217.12292	4.7
235.13292	3.9
252.33429	1.5
270.27939	11.1
280.26575	1.6
298.27277	3.8
299.16327	1.9
316.19107	1.7
316.28442	66.3
316.32098	28.1
317.17587	7.5
317.20667	1.4
317.24854	3.2
317.28842	3.4
317.32480	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.01665	0.3
53.03952	0.6
55.01867	0.6
55.05510	5.0
56.05042	4.7
56.05307	0.7
57.03445	0.8
57.07074	1.8
60.04528	100.0
60.84224	0.4
61.04851	0.4
63.94202	0.4
67.05507	8.3
68.05029	0.7
69.07074	5.3
69.77091	1.8
70.06593	1.2
71.05027	0.4
71.08646	0.9
72.04525	1.5
72.22487	0.4
74.06087	2.5
79.05491	3.9
80.05010	1.1
80.05782	0.4
81.07058	7.0
82.06580	1.4
83.05000	0.6
83.08621	3.1
86.06062	0.9
87.04481	0.9
90.05572	1.1
91.05489	3.5
93.07058	4.7
94.06567	0.8
95.04976	1.4
95.08609	8.6
96.08158	0.6
97.06544	0.8
97.10167	1.8
98.06036	0.4
98.23249	0.5
100.07614	0.4
105.07039	1.4
107.08585	2.5
108.08102	0.6
109.06536	0.8
109.10156	4.8
112.07652	0.5
119.08584	2.9
121.10160	1.7
123.08102	0.7
123.11717	0.5
133.10164	1.1
135.08105	0.5
135.11726	1.0
137.09599	2.4
137.13225	0.6
145.10104	0.4
147.08044	0.4
147.11641	0.4
149.97594	0.4
151.07544	2.1
151.14734	0.4
171.40472	0.4
189.12723	0.6
207.13814	0.7
216.82828	0.4
233.15636	0.5
245.22528	0.6
250.25314	1.2
262.25232	1.8
268.26166	0.7
280.26334	11.4
281.26620	0.7
298.27380	12.2
299.27631	0.7
310.61884	0.4
316.28464	27.3
317.21063	2.0
317.28534	2.0
327.56973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
57.07078	12.8
58.06591	0.8
60.04222	0.6
60.04530	10.0
67.05499	1.1
68.05035	0.5
69.07059	1.1
70.06595	15.1
70.10338	1.1
70.10682	0.3
71.08638	6.3
73.03984	0.3
74.06106	0.5
79.05477	0.7
80.17478	0.4
81.07057	1.2
83.08612	0.5
85.00344	0.3
85.10181	3.5
86.06047	0.5
88.07634	25.9
89.07951	0.6
91.05471	0.9
93.07050	0.7
95.08618	1.1
97.10191	0.4
98.22718	0.5
102.09202	0.5
105.07054	0.8
106.08672	28.4
109.10130	0.7
116.07016	0.3
116.10701	0.4
119.08604	0.7
131.26051	0.4
133.10101	0.5
142.00241	0.4
163.25349	0.4
176.25316	0.4
187.50731	0.4
212.81154	0.4
280.26407	1.4
298.27643	0.8
298.30984	0.9
316.32092	100.0
317.21341	0.6
317.24811	0.8
317.32401	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	316.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
55.10891	0.3
56.05040	1.7
57.07080	9.6
58.06582	0.9
60.04264	0.4
60.04527	5.5
62.06051	0.4
62.37609	0.3
67.05489	1.1
68.05041	0.4
69.07071	0.7
70.06594	14.0
71.04973	0.5
71.08629	4.3
71.30315	0.5
74.05713	0.4
74.06080	3.7
79.05485	1.1
81.07065	0.8
83.04982	8.1
83.78374	0.3
85.10170	2.1
88.07632	24.9
89.79154	0.3
91.05488	1.7
93.07047	0.6
95.04950	0.8
95.08599	1.1
97.06541	0.6
102.05550	0.5
102.09190	4.3
105.07016	1.0
106.08672	11.1
107.08553	0.5
109.06496	0.4
109.10140	0.4
115.05454	0.6
117.07027	0.8
119.08541	0.9
120.06606	1.0
121.10133	0.5
128.06213	0.6
129.07021	0.9
131.08540	0.4
142.07764	0.7
143.08723	0.3
145.10097	0.4
147.11688	0.5
155.08614	0.3
157.10094	0.6
165.06985	0.4
171.08011	0.4
175.11180	0.5
200.50725	0.3
217.12198	0.6
235.13188	0.4
270.27838	2.0
271.28067	0.4
272.29398	0.6
279.93246	0.3
280.26300	0.6
293.99524	0.3
298.27347	0.8
298.30957	5.6
299.31357	0.3
316.28467	13.1
316.32047	100.0
317.17468	1.3
317.20972	0.8
317.24725	1.1
317.28650	0.9
317.32376	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	317.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44952	2.6
56.96567	39.7
69.53444	15.3
70.06618	4.2
70.98128	6.7
71.48912	2.6
72.08160	7.4
72.55208	2.6
75.38596	2.9
81.03474	3.2
84.08148	100.0
84.96056	3.0
85.02894	5.1
86.09707	26.9
88.99173	4.9
89.90318	3.0
97.02912	5.5
98.97591	46.3
99.97921	3.8
101.00864	4.4
101.10735	2.9
101.63821	3.0
101.99403	3.2
108.25972	3.0
110.97594	9.7
116.98632	19.2
119.01929	7.9
128.98650	11.2
129.10249	74.9
130.08661	5.4
130.93301	5.7
131.01953	5.3
133.06148	3.6
134.35875	2.7
134.99654	5.3
138.05521	6.7
140.00166	3.5
140.98636	3.8
143.01897	3.2
146.99655	15.3
147.11298	8.4
154.93315	8.3
156.06607	4.1
157.13438	4.3
158.99684	8.8
160.06473	3.1
161.03003	3.6
165.00804	4.6
170.05013	4.5
172.94395	8.4
173.01276	5.9
173.02921	6.7
174.97693	4.0
176.97456	7.4
177.00900	6.4
186.12401	5.0
189.00731	3.9
190.95430	6.4
203.02357	3.2
204.13370	4.7
205.00198	5.4
206.06990	8.1
214.95332	14.6
215.07814	3.9
219.01860	6.5
220.99997	4.2
222.01973	10.8
223.01178	7.0
224.08124	8.3
225.08304	5.4
227.06818	6.5
230.98122	3.1
232.96452	21.6
237.02850	7.2
250.97609	9.4
274.97427	9.6
275.06317	5.1
286.97549	4.1
292.98563	5.9
304.98349	3.6
317.06326	45.7
317.11816	12.8
317.21924	23.5
326.05975	3.4
335.06610	4.7
335.10519	8.1
336.09506	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	317.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68798	3.7
55.01874	8.2
55.05505	5.0
56.05052	4.8
56.96568	22.0
69.03439	7.2
69.07076	8.4
69.53485	20.4
70.06596	10.0
71.05009	6.5
72.08173	17.2
74.97631	5.8
81.03426	6.0
83.06103	8.0
84.04523	12.0
84.08150	48.1
84.96087	4.1
85.02910	27.7
86.09711	100.0
91.05513	4.0
93.07076	3.9
96.04531	4.9
97.02927	7.9
98.02406	4.0
98.22750	6.6
98.97580	33.6
99.04465	7.2
101.07159	8.1
102.05522	5.6
109.02890	5.3
110.97565	9.0
111.04459	6.7
116.07108	4.2
116.98637	17.8
119.01986	6.1
121.06546	10.7
124.03961	9.6
127.03944	6.9
128.98621	12.7
129.10231	29.2
132.10201	19.5
135.23750	3.3
137.05984	5.7
137.07104	7.9
138.05498	7.7
141.06602	17.0
143.11798	9.8
146.99614	5.3
155.06947	9.5
155.18130	3.5
156.10248	9.6
158.09306	9.0
159.07770	7.8
168.07813	5.8
169.06128	4.8
169.10101	3.3
170.99675	5.4
173.04910	4.0
173.12883	5.8
177.00826	8.2
186.08797	12.4
187.07280	6.8
189.12387	15.1
191.83592	3.7
201.00687	3.9
201.12340	6.4
203.05312	14.7
219.01797	11.8
237.02898	25.0
237.05022	3.8
253.09787	4.8
254.14961	4.8
287.10315	6.5
299.17142	8.8
317.09424	24.0
317.12607	74.7
317.18057	6.0
317.21954	11.6
335.10257	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1213
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01859	1.0
55.05510	0.8
57.03434	0.6
57.35657	0.7
60.04507	1.1
67.05496	1.9
69.03430	9.8
69.07069	24.0
70.06591	5.9
71.01350	0.6
71.05011	1.2
71.06929	1.8
71.30735	1.1
72.08156	1.0
73.02892	1.0
79.05482	0.9
81.03415	4.2
81.07037	0.7
83.04965	1.7
84.04486	1.9
84.08148	5.1
85.02917	5.2
86.09708	7.0
87.00838	0.8
87.04482	1.0
87.08098	2.2
87.10044	1.9
91.05455	1.1
93.07040	0.8
95.04960	0.8
95.08592	1.2
97.02885	2.1
97.06487	0.9
99.04449	3.5
100.21174	0.7
102.05483	0.8
103.05486	0.7
105.07029	1.3
107.08554	0.7
109.02863	2.6
109.06489	1.1
109.10156	1.7
111.00766	0.7
111.04458	1.1
115.07564	7.0
116.07085	5.0
117.07423	2.2
121.06478	1.0
124.03973	1.0
127.03927	2.9
129.10208	5.3
131.08582	0.8
137.05957	1.0
138.05502	2.6
140.71190	0.6
143.03392	3.0
145.04967	1.4
154.08659	0.7
155.06795	13.8
156.10243	1.2
161.09764	0.8
173.12863	1.2
174.13240	1.9
185.04239	9.9
188.12851	1.1
198.07910	1.8
200.18420	0.8
203.05289	4.4
213.03978	2.1
213.10249	1.4
225.10368	1.1
230.09970	0.8
231.04994	1.4
241.09750	1.3
242.10411	0.9
243.11278	1.8
253.09720	1.2
257.09256	5.2
258.09869	0.8
271.10828	3.8
287.10272	11.2
288.11029	1.4
289.11758	2.9
299.10248	6.3
300.10641	0.7
314.47678	0.7
317.11972	100.0
318.12439	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.0
59.60724	1.3
65.03944	2.1
66.03709	1.5
66.74296	1.3
69.15124	9.4
79.05506	3.1
81.07056	1.5
91.05497	25.5
93.07028	4.4
94.04204	3.4
95.04977	5.9
103.05482	7.4
105.03410	3.3
105.07026	3.2
107.04963	6.7
109.06497	4.0
115.05516	2.4
117.07065	1.9
119.04947	15.9
119.08575	3.4
121.06528	17.0
122.03648	9.0
123.04444	12.6
128.06248	3.7
129.07013	15.5
131.04926	3.5
133.02898	4.3
133.06512	3.4
135.04425	8.4
136.05211	2.1
137.05980	100.0
138.06247	3.6
145.06462	2.4
147.04396	19.8
147.08060	7.2
149.05983	38.9
150.06795	9.8
151.03906	1.7
151.07544	65.7
152.06232	3.2
155.08594	4.0
157.06485	10.0
159.96021	1.9
160.05157	2.2
161.05986	7.4
163.07570	3.0
165.06967	15.0
166.07759	1.8
167.07225	1.6
167.08539	7.5
169.06480	2.0
175.07541	42.1
176.07892	3.2
178.07785	7.0
181.06476	3.2
182.07349	3.4
183.08061	3.8
189.09146	2.9
193.06444	8.1
193.08568	2.3
193.10172	6.3
195.08052	10.8
197.06010	3.4
206.07353	1.6
210.06752	7.7
211.07503	11.6
213.09145	6.2
221.06030	10.8
221.09653	6.1
223.07603	3.4
224.08218	1.7
225.05568	2.1
225.09140	7.3
227.10780	2.6
238.06339	3.0
239.07010	9.0
239.10797	2.8
241.08521	7.6
249.09167	3.7
250.09662	1.8
253.08629	12.7
253.12166	8.5
255.06633	2.6
255.10196	2.7
258.08856	3.3
270.08856	3.3
271.09647	29.5
273.11139	12.4
281.11642	4.8
299.12833	14.7
317.13562	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1385
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
53.03949	1.7
55.01868	4.9
56.33776	0.9
60.35223	0.9
64.52548	0.9
65.03949	2.0
67.05509	2.4
69.03424	2.4
69.04440	4.5
69.04872	4.1
70.40630	0.8
71.82544	0.9
79.05516	3.9
81.03407	1.6
81.07044	1.6
85.02900	1.5
85.05241	0.8
89.03951	0.9
91.05482	28.2
93.07069	3.4
94.04190	3.6
95.04971	7.6
95.08652	0.9
103.05468	6.0
105.04550	1.8
105.07008	5.4
106.19164	1.0
107.04951	4.2
109.02903	1.1
109.06516	3.8
115.05498	1.5
117.07039	1.9
119.04943	13.8
119.08579	3.5
121.06499	20.0
122.03631	7.7
123.04435	17.8
123.08070	1.0
124.05354	0.8
128.06219	4.7
129.07013	18.5
131.04941	4.0
133.02858	4.6
133.06511	1.2
134.03641	1.7
135.04416	8.2
136.05196	2.9
137.05980	100.0
138.06299	1.7
141.07039	1.6
145.06502	2.5
146.03696	1.5
147.04405	20.0
147.08043	8.1
149.05983	35.2
150.06795	7.9
151.03944	2.4
151.07542	61.3
152.06213	2.0
152.07852	1.7
153.07014	2.3
154.07735	1.2
155.08624	3.1
157.06499	12.4
160.05240	1.7
161.06013	6.7
163.07541	4.6
165.05612	1.3
165.06993	15.6
166.07582	1.1
167.08559	5.9
169.06525	2.7
170.02829	0.8
175.07547	37.9
176.07915	1.6
177.07021	1.3
178.07796	5.8
179.08426	1.2
181.06488	2.3
182.07249	3.0
183.08044	3.3
184.08556	0.9
189.09148	2.6
192.09355	1.9
193.06538	7.2
193.08618	3.6
193.10071	5.4
194.07115	1.1
195.08086	9.0
196.05185	0.9
196.08574	1.2
197.05994	4.3
197.09737	1.4
198.06606	0.9
203.08636	1.7
207.08121	1.4
209.05991	1.5
209.09615	1.1
210.06738	8.1
211.07524	12.1
212.08505	1.1
213.05719	1.0
213.09053	7.2
221.06027	10.8
221.09494	6.4
223.07481	4.4
224.08185	1.1
225.05490	2.0
225.09082	8.2
226.06203	1.2
227.07086	2.5
227.10692	3.1
228.07910	1.2
230.50916	0.9
235.07608	1.6
237.09140	1.1
238.06308	3.0
239.07028	11.4
239.09325	1.0
239.10687	2.2
240.07706	1.4
241.08609	6.6
249.09146	3.6
253.08607	12.3
253.12198	8.5
255.06595	2.9
255.10190	1.7
258.08856	3.0
260.60455	0.9
263.10663	1.3
267.10110	1.7
270.08926	2.7
271.09650	29.5
272.10263	1.1
273.11191	13.4
273.64453	1.2
274.11502	1.2
281.11700	4.5
299.12823	14.9
317.14001	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	317.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
53.73307	1.1
55.05517	15.3
55.41870	1.3
57.07058	1.3
57.27843	1.3
57.70733	1.3
58.41750	1.1
60.04530	2.8
67.05510	5.2
69.03451	1.2
70.06602	2.5
71.05003	4.1
71.05549	2.7
71.08614	1.4
72.92449	1.1
74.06083	2.5
79.05504	5.9
80.67646	1.3
81.07040	1.6
83.04983	100.0
84.05322	3.1
88.07628	5.0
91.05505	6.6
93.07065	5.6
95.04990	3.8
95.08601	1.5
95.22189	1.3
105.07059	5.8
106.08674	2.8
107.08617	1.7
109.02896	4.8
109.06552	1.7
115.01231	1.3
115.05470	2.8
117.07005	4.6
119.08618	3.5
121.06535	4.8
128.06247	2.5
129.07031	7.2
131.08543	4.5
133.06522	3.7
133.10152	2.6
141.07039	2.5
142.07787	2.1
142.87859	1.3
145.06485	3.3
145.10139	2.6
147.08052	2.1
149.05928	1.6
153.06888	1.7
157.10213	3.1
159.08098	5.3
163.07585	5.8
171.08099	1.7
171.11694	1.3
172.29172	1.3
173.09644	1.9
175.11217	7.0
183.94722	1.6
199.11299	3.2
217.12242	9.2
229.12279	1.9
235.13309	8.2
270.27960	1.8
299.16571	2.9
316.28854	2.0
316.32230	5.1
317.17496	12.6
317.20782	2.4
317.28778	8.3
317.32492	3.4
318.30057	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86716	0.4
55.05498	0.5
57.03437	1.2
60.04539	0.7
60.85320	0.3
61.02918	1.1
67.05508	0.9
69.03438	4.4
69.07063	1.3
70.06605	0.4
70.25580	1.2
71.04972	0.5
72.08178	0.5
73.02914	0.6
79.05495	0.6
80.62333	0.3
81.03416	1.2
81.07045	0.4
82.06580	1.0
83.08614	0.5
85.02914	6.8
86.09711	2.0
86.55878	0.4
87.04474	0.6
91.03974	0.5
91.13366	0.3
93.07043	1.4
95.08613	1.5
96.04494	2.7
96.08128	2.3
97.02876	2.2
97.05270	2.2
97.06525	0.9
100.07621	1.2
108.08116	0.4
109.02916	0.7
109.06497	0.6
110.06049	5.6
110.09684	4.5
111.08117	1.1
121.06529	1.0
123.06840	0.4
125.08387	1.0
126.09163	9.4
127.03929	1.6
128.10727	0.6
130.73865	0.4
138.09154	21.8
139.07541	1.4
139.09427	0.7
145.05006	1.0
156.10211	100.0
157.10542	2.8
157.19316	0.4
159.11160	0.8
168.10216	1.2
173.12894	2.4
180.10252	0.7
222.11211	0.4
240.84355	0.4
270.09927	0.7
272.11499	0.8
283.10718	0.4
288.10559	1.0
288.68713	0.4
301.11841	3.4
318.11847	0.6
318.15585	1.2
319.12772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
53.37794	2.2
55.01850	3.9
57.03424	6.6
61.02924	9.6
69.03436	20.6
69.07060	3.5
70.06251	4.3
70.06596	52.6
71.03247	3.2
71.03581	3.4
71.04987	4.6
72.08157	5.2
73.02916	3.7
79.05521	3.3
80.93233	2.4
81.03419	8.9
83.04984	3.0
83.61240	2.2
85.02907	100.0
86.09709	6.3
87.04455	4.0
87.56910	2.6
88.64730	2.3
91.03940	6.4
91.05481	3.4
93.07056	7.0
95.04992	4.2
96.46921	2.7
97.02892	23.5
99.04412	3.2
102.49217	2.6
103.05475	2.8
109.02903	8.8
116.11494	2.4
121.06507	79.0
122.06866	4.0
124.03942	3.4
127.03947	20.4
130.06512	2.9
145.04958	37.4
156.10217	3.6
157.06512	3.3
158.06049	3.5
161.19604	2.5
162.69510	2.4
163.06081	4.7
175.08751	4.0
180.08777	3.0
180.18065	2.9
187.07556	14.6
205.08617	8.4
221.09276	8.8
229.08672	4.6
247.09610	5.5
303.17117	2.8
318.11938	18.1
319.13104	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	318.1812
Annotation	Ile Trp
Peak:m/z	Relative Intensity
57.05811	0.6
58.99580	0.5
67.05516	0.6
69.03438	0.6
69.07071	13.7
69.18458	2.7
70.06596	0.7
71.04996	0.9
79.99602	0.4
81.07043	0.5
86.09709	100.0
87.10040	2.8
91.05441	0.9
95.04950	0.5
97.06518	0.4
100.25185	0.4
103.05495	0.6
105.07084	0.4
113.10759	0.7
115.05427	0.6
117.05677	0.4
117.07050	0.5
118.06540	4.7
128.06100	0.4
130.06549	1.6
132.08075	2.1
137.05991	0.8
138.06364	0.4
141.07042	0.6
141.10211	2.4
142.06546	0.6
143.07298	0.8
144.08093	3.7
146.06012	21.6
147.06418	0.6
149.06004	4.0
151.03928	4.8
151.05043	0.6
151.07596	0.5
153.07021	1.0
159.09163	4.0
167.07233	0.4
170.06033	1.4
177.05470	6.1
181.06551	1.0
188.07074	45.2
189.07399	1.5
202.55878	0.4
205.09734	31.1
206.10114	1.3
213.09071	0.6
231.08496	0.4
241.08835	0.5
248.07367	0.5
272.17737	0.4
273.11188	0.5
301.11423	0.7
318.11798	2.2
318.18109	6.0
319.18576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2024
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
50.43058	0.9
55.05506	6.0
60.04526	30.0
70.02971	1.7
70.06594	1.7
72.08154	68.1
73.08492	1.4
84.08147	1.2
86.09705	56.1
87.05596	21.2
94.06586	1.2
96.08141	2.8
96.41277	0.9
98.22584	2.6
99.84117	0.9
107.04948	1.5
114.09179	16.9
118.08683	2.3
128.10728	6.0
130.06497	1.3
132.10234	5.0
137.05991	2.2
149.05969	1.5
159.11288	100.0
160.11601	1.7
166.04980	1.6
173.12857	48.5
174.13248	1.4
187.10782	25.2
201.12337	12.5
203.08253	1.3
226.11140	1.2
226.69411	1.0
227.11871	1.5
231.17073	2.1
270.09991	1.8
272.11481	1.2
277.13000	3.1
289.84195	1.0
301.11847	8.5
301.15146	1.8
302.12448	1.0
319.12653	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	318.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.3
56.96532	2.3
57.07067	2.7
70.06594	4.0
71.01991	3.9
72.72057	2.0
81.07072	4.8
88.07623	3.9
91.05469	3.8
92.10094	2.1
93.07014	2.2
95.05000	2.6
97.10162	2.6
102.09224	4.7
105.07043	2.5
107.08541	2.3
110.47617	2.2
137.94415	2.1
149.09709	2.3
161.14638	2.1
164.61130	2.0
200.59926	2.6
201.45924	2.1
256.26340	9.0
297.96439	2.2
318.18198	3.9
318.24084	100.0
318.29755	27.4
319.19058	4.3
319.23520	2.5
336.19260	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.5
65.95580	2.6
69.54269	14.1
70.06600	3.9
78.34359	2.8
81.27697	3.0
84.08139	6.1
85.02919	4.8
98.97617	7.5
100.25420	3.5
101.00871	6.1
116.98625	4.7
119.01927	10.3
143.01930	5.7
149.01266	3.2
161.02956	6.7
165.04245	3.0
189.02292	4.5
190.98511	3.9
199.00716	3.5
208.99722	6.4
228.55844	3.9
301.08841	7.0
319.10306	100.0
319.13132	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	13.5
65.95580	2.6
69.54269	14.1
70.06600	3.9
78.34359	2.8
81.27697	3.0
84.08139	6.1
85.02919	4.8
98.97617	7.5
100.25420	3.5
101.00871	6.1
116.98625	4.7
119.01927	10.3
143.01930	5.7
149.01266	3.2
161.02956	6.7
165.04245	3.0
189.02292	4.5
190.98511	3.9
199.00716	3.5
208.99722	6.4
228.55844	3.9
301.08841	7.0
319.10306	100.0
319.13132	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	319.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04091	1.4
52.08776	1.3
53.03952	7.2
55.01862	2.1
55.05508	4.0
57.03444	3.1
67.05519	5.0
68.99792	1.9
69.03429	28.4
69.07050	2.3
69.20381	11.2
71.04996	20.8
71.12309	1.5
72.08220	1.6
79.05484	5.2
81.03423	100.0
81.07069	6.8
83.04992	2.8
85.02914	4.2
85.06564	2.0
87.00832	4.6
91.05506	5.6
93.07052	9.1
95.04980	4.1
95.08616	6.7
97.02914	4.5
97.06543	3.0
98.22609	2.5
99.04456	8.6
100.11282	1.7
100.51105	1.5
105.01844	2.5
105.07021	8.5
107.08586	7.1
109.02884	23.8
109.06527	3.0
109.10164	5.3
111.04397	1.6
111.08074	2.0
117.07045	2.1
119.08582	4.5
121.06520	1.9
121.10172	4.0
123.08102	2.4
124.92802	1.5
125.09629	2.7
127.03893	11.9
127.11237	1.5
131.08597	2.8
133.10175	4.5
135.08046	2.4
135.11723	3.1
137.05997	2.4
137.09586	3.0
143.08607	1.7
145.04971	1.5
145.06458	2.2
145.10143	4.4
147.08020	1.6
147.11714	5.1
149.09619	2.8
153.06973	1.5
157.10138	3.1
159.11691	3.6
161.09579	2.0
161.13298	2.0
163.11241	2.8
171.11705	1.7
173.13225	1.8
174.28601	1.8
196.31470	1.7
199.14786	1.6
228.10217	2.2
256.09735	4.8
283.13562	1.6
283.20596	2.4
291.10217	1.9
301.21667	3.3
319.09647	3.3
319.15790	2.9
319.22739	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	319.1178
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03952	1.2
55.01885	1.6
58.99573	1.1
65.03951	2.5
67.05501	2.6
69.07067	1.4
69.13817	6.6
71.04992	4.1
79.05482	1.5
79.57372	0.8
82.64647	0.8
86.09705	7.9
87.10048	3.0
89.03923	2.2
91.05493	3.0
93.07033	1.3
95.04972	3.0
103.05490	1.8
106.04205	1.4
107.04965	1.1
108.02123	2.9
111.04472	1.3
117.03403	2.5
118.06509	0.9
119.04968	1.3
121.06488	4.6
123.08101	1.1
128.06204	1.0
134.03632	2.6
135.04408	1.6
137.05994	7.4
141.05505	2.6
149.05980	72.4
150.06273	2.0
151.03915	81.1
151.05020	9.8
151.07463	1.7
152.04230	2.3
152.06230	2.0
153.06995	7.1
177.05467	100.0
178.05865	3.4
181.06468	11.2
188.07065	1.6
189.07431	2.4
195.06491	1.2
195.08145	1.3
198.06784	1.7
205.09822	1.1
206.10185	2.1
209.06033	2.8
213.09064	6.2
225.05495	1.0
226.06300	1.3
226.16231	1.0
232.08643	1.2
232.39035	1.0
241.08611	6.6
252.11534	1.0
254.05614	1.1
260.10574	1.0
269.08044	3.0
273.11185	16.2
283.09677	2.0
301.10770	7.5
319.12238	6.0
319.15253	1.5
320.11710	1.3
320.18515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67273	0.3
55.56235	0.3
57.03407	0.5
70.02876	0.3
70.03228	1.3
74.26588	0.3
75.29812	0.4
86.09682	0.5
98.22618	0.4
106.26643	0.3
119.86840	0.3
136.73329	0.3
157.07578	0.9
169.07605	0.4
170.08421	0.4
171.09103	1.5
172.11160	0.4
174.09082	0.9
177.05473	0.3
181.07600	0.4
182.09740	0.3
183.09099	0.7
184.09966	2.1
193.07503	0.5
194.08350	0.8
195.09224	0.3
197.07010	0.6
198.07819	1.4
199.08694	1.8
199.12352	1.6
200.10736	0.9
201.12573	0.3
205.07314	0.4
209.10703	0.9
210.09113	0.7
210.11386	0.7
211.08652	2.2
211.12256	0.7
212.09441	3.8
213.10217	4.2
225.10242	4.2
226.10989	10.4
227.11784	12.4
228.10188	4.8
228.12196	0.7
229.09770	0.4
239.11876	0.7
240.08948	0.4
241.09570	0.5
245.12865	0.5
253.09793	0.4
254.10399	1.8
255.11284	8.8
257.09244	0.4
270.09991	17.7
271.10715	3.7
272.11566	14.6
273.12308	8.2
274.12833	0.6
283.10776	8.0
301.11826	100.0
302.12164	5.5
319.12885	28.3
320.13290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47462	0.5
54.04417	0.5
56.04943	6.3
56.05249	1.6
57.05753	1.2
57.05991	0.6
57.72599	0.5
59.64120	0.6
60.05552	2.0
69.04443	2.3
70.06490	4.2
70.06911	1.2
70.93910	0.6
70.94242	0.6
74.25461	0.6
79.05401	1.4
83.06005	4.2
87.05530	1.0
91.05399	0.7
95.05980	2.9
98.07095	1.1
100.08690	0.6
105.03321	0.7
105.05705	1.0
106.06478	1.1
110.07082	0.8
111.05559	8.8
112.08596	1.7
113.07130	5.4
117.64536	0.5
118.06493	0.7
120.04488	3.6
120.08046	1.4
123.05444	2.0
126.06659	4.0
127.07447	2.9
130.06462	1.2
132.04456	15.8
132.05376	0.9
132.08011	1.5
134.06017	5.0
137.04539	1.7
137.05615	0.6
139.51918	0.6
140.08171	3.3
146.02287	0.8
146.08292	0.8
148.03815	2.4
149.05939	1.2
150.05513	8.9
150.70374	0.6
151.03931	0.7
151.06160	9.8
152.06892	0.9
156.06949	0.7
159.09106	1.1
161.06993	0.7
162.05426	0.8
164.06950	0.6
165.06540	0.7
173.09225	0.9
174.05446	1.1
176.06972	2.2
177.05400	1.0
187.08653	5.9
189.06557	1.4
202.05928	0.7
202.09749	5.5
203.08177	5.4
216.11256	1.2
219.07623	1.0
225.09103	0.6
230.09286	4.2
231.07643	34.5
232.08296	1.1
232.10793	2.6
233.09148	1.6
233.13956	8.1
234.12334	1.1
242.09245	3.3
246.08731	2.1
249.13463	0.9
257.10349	5.3
259.11920	28.1
260.10083	2.7
277.12958	100.0
278.13269	4.5
284.11472	5.0
301.14133	2.3
302.12479	61.4
303.12830	2.5
319.15195	81.9
320.12659	0.6
320.15564	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	319.1542
Annotation	Zearalenone
Peak:m/z	Relative Intensity
54.65395	1.7
56.96568	79.2
69.54203	10.0
70.06615	3.7
72.08161	5.0
72.96051	6.1
74.97607	3.3
83.06094	2.0
83.97668	4.6
84.08151	7.4
84.96056	5.7
86.09711	10.8
87.96426	1.7
91.05417	2.2
91.33598	1.8
98.97597	10.5
109.45968	1.9
110.07152	13.7
110.97598	2.4
116.07117	4.5
116.98635	4.9
126.02290	4.2
128.98624	3.7
129.10240	4.9
140.03873	8.2
142.05402	7.9
156.06548	2.4
156.07686	2.6
158.04913	10.9
160.06462	16.6
170.04918	8.5
171.03293	3.9
174.97801	1.9
176.05818	3.2
178.07553	3.3
188.05896	16.5
189.02722	3.4
189.04301	17.2
195.76576	1.9
206.07031	33.8
207.05464	8.7
208.02754	3.5
220.02872	2.3
224.02673	4.6
224.08070	41.3
248.08128	7.2
277.04819	3.3
278.09238	2.2
295.06021	3.7
301.14282	19.8
302.12616	3.4
319.15414	100.0
320.15771	5.6
337.11313	1.7
337.12479	2.1
337.16464	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	319.1906
Annotation	Ubiquinone
Peak:m/z	Relative Intensity
53.03946	1.4
54.09924	1.1
55.01871	1.8
55.05515	16.0
56.05035	1.1
57.07059	1.5
59.04957	1.1
60.04531	1.8
63.72256	1.2
67.05502	14.8
67.47006	1.1
69.07076	5.0
70.06558	1.1
71.05002	1.2
71.08606	1.2
71.30505	1.1
71.30875	1.4
74.85194	1.0
79.05490	5.4
81.07054	5.6
83.04982	100.0
83.08602	1.4
84.05316	1.4
85.02919	1.2
85.06547	4.7
88.07625	5.0
88.78979	1.0
89.07964	1.3
91.05486	7.1
93.07045	9.6
95.04969	9.6
95.08604	13.2
97.06544	2.3
101.06038	1.2
105.07036	6.8
107.08606	7.1
109.02855	11.7
109.06547	1.5
109.10130	4.3
111.04459	1.3
111.08070	2.4
117.06998	2.3
119.08555	6.3
121.06510	3.3
121.10142	14.3
123.04457	11.7
123.08113	2.2
123.11720	2.2
131.08557	3.1
133.10153	4.0
135.08060	3.8
135.11716	2.9
137.05981	2.1
137.09612	2.0
139.07431	1.2
143.08556	2.7
145.10129	4.9
149.09621	2.1
151.11241	1.2
157.10115	2.5
158.44717	1.0
159.07965	1.3
159.11714	2.3
161.09647	1.7
163.11194	2.2
165.09142	1.6
171.11716	2.5
173.09647	1.6
175.07631	1.6
177.09137	1.9
187.07542	1.6
189.09215	1.1
201.12805	1.2
213.09068	1.3
219.13834	2.2
233.04590	1.3
237.14819	1.5
257.26749	1.6
259.17007	3.9
271.28229	3.6
273.18594	1.2
292.32080	1.2
301.18115	2.1
301.21582	2.8
317.23843	1.1
319.19049	70.6
319.22568	6.6
319.30301	13.6
320.19360	4.1
320.26001	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76144	6.3
56.96572	13.4
60.04527	9.1
61.02940	5.9
66.20663	6.3
69.03423	12.7
70.82571	12.0
81.03410	18.2
83.56750	5.2
85.02905	42.9
86.09702	27.5
98.97603	17.4
99.76190	6.7
99.76865	5.8
109.02885	100.0
126.70612	5.7
141.05469	95.8
145.04955	10.6
173.12894	23.7
201.12366	8.4
222.04396	7.8
258.06577	5.9
279.07532	13.5
289.37866	6.4
320.14102	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	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42204	1.3
51.15066	1.2
51.92493	1.3
53.10998	1.5
55.01863	3.3
55.05511	2.6
56.05033	2.9
56.96564	8.5
57.03431	3.1
58.06612	1.9
60.04532	17.1
61.02906	2.1
67.05506	17.7
68.05025	7.0
69.03431	17.5
69.07072	88.3
69.90707	1.5
70.02944	3.4
70.06602	8.3
70.07398	1.5
71.04972	2.3
71.30527	1.8
72.08147	8.4
73.02937	2.4
74.06065	4.6
81.03412	6.6
83.05011	1.8
84.04503	3.4
84.08150	9.0
85.02427	2.6
85.02912	41.8
85.22427	1.4
86.09212	2.5
86.09708	33.9
87.05592	4.2
91.05449	2.2
94.06570	3.1
95.04960	17.4
96.04501	2.3
97.02898	28.6
97.06536	3.2
98.06041	4.1
98.97588	7.7
99.04464	1.8
103.03963	1.7
109.02901	8.4
111.04484	2.0
112.07611	38.1
113.06009	9.5
113.31232	1.5
114.05521	4.3
114.09083	1.5
116.07116	8.4
116.98626	5.4
120.06545	3.6
120.08102	2.4
124.07581	1.7
126.05560	2.5
127.03909	11.2
128.10719	3.4
130.05014	1.7
136.07605	2.3
140.07063	48.4
140.10657	1.6
141.05478	4.3
144.06613	1.8
145.04971	3.0
147.04401	2.0
158.08136	100.0
161.09244	1.9
173.12868	31.3
182.08122	17.8
189.08672	2.6
200.09196	27.5
201.12361	5.5
206.08160	2.5
217.09593	1.6
224.09175	5.2
229.13489	1.7
237.02762	1.8
239.02208	2.2
239.11668	1.6
257.12802	2.6
266.10315	3.7
267.11276	2.1
272.11823	1.7
275.13684	2.5
285.12271	4.0
290.12424	1.8
302.08606	2.4
302.12024	1.9
302.17007	4.4
303.13544	7.9
320.10471	3.9
320.13962	30.7
321.11465	23.9
321.14581	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	320.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.6
55.01873	5.9
55.05508	5.9
56.96566	6.5
57.03437	3.4
61.02925	3.2
65.71508	1.9
67.05502	25.7
69.03424	7.1
69.07060	3.2
69.32333	17.0
70.06587	8.3
71.04993	2.9
79.05490	31.3
81.03422	35.0
81.07066	9.4
81.48404	2.1
84.08118	3.4
85.02908	26.0
86.09722	2.9
91.05478	10.7
93.07053	8.9
93.36217	2.0
93.52530	2.2
95.01313	2.5
95.04982	14.5
95.08604	76.7
97.02910	6.1
97.06512	3.4
99.04477	3.4
105.07042	7.0
107.04996	3.1
107.08613	2.5
108.08102	2.3
109.02924	2.7
114.50540	1.9
115.07566	2.8
116.07110	5.0
117.07036	2.6
119.04960	4.6
120.08121	8.0
121.06519	4.8
122.06008	3.5
123.07166	4.9
123.08073	100.0
124.08445	3.2
127.03894	3.4
135.08057	4.4
136.07581	3.3
141.09128	4.3
145.04961	3.3
147.04439	7.4
149.05984	3.1
152.07095	2.5
158.05962	2.5
177.05522	5.6
189.08920	2.9
206.08478	3.6
215.11998	2.3
216.10265	3.0
220.88187	2.3
229.09923	2.0
239.02255	10.1
243.16379	2.2
245.09286	2.7
249.88506	2.7
257.03336	10.5
267.11328	7.2
272.10489	3.2
279.01749	2.8
280.08240	2.3
285.12308	11.3
299.66873	2.4
302.11685	6.3
303.13287	8.0
320.10974	11.5
321.09491	2.7
321.14468	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	320.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05492	1.1
57.03439	0.8
57.07069	1.5
67.05510	6.1
69.07075	7.8
69.81239	2.8
70.06587	2.1
71.06925	0.8
72.25882	0.7
79.05495	5.3
80.02649	0.9
81.07065	4.3
83.04992	1.2
83.08611	1.4
85.06558	0.9
85.50392	0.8
88.07623	1.2
91.05461	2.4
93.07045	7.8
95.04976	8.0
95.08615	3.3
97.06535	5.3
98.23405	1.1
103.09508	1.0
105.07033	1.4
107.08603	8.4
108.04507	1.1
109.02934	1.8
109.06477	0.8
109.10136	1.6
111.08072	1.1
111.65576	0.8
116.03318	0.7
119.08586	0.8
123.04428	9.6
135.11703	9.1
136.01599	1.1
141.05415	1.2
145.10085	1.1
150.05458	1.3
151.03911	19.9
151.04961	0.7
153.04300	0.9
153.05493	1.2
166.05054	0.8
168.06570	100.0
169.06926	1.9
199.01352	0.7
223.41656	0.7
257.26727	1.7
258.27020	2.2
302.17740	1.2
319.30310	2.1
320.18698	6.0
320.30637	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	321.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	13.2
58.99868	2.0
60.71886	1.8
63.26664	1.7
70.31978	2.5
70.32329	5.1
70.99878	1.5
82.99860	6.9
84.04530	1.7
84.08144	6.9
86.09721	3.1
91.02460	3.3
92.04486	2.2
96.90133	1.5
97.01422	3.2
98.97590	26.2
101.00880	63.9
102.00968	3.5
103.00630	2.7
110.97565	4.5
112.63116	1.6
113.00883	10.7
115.02439	19.8
116.98611	11.8
117.04030	3.9
119.01926	100.0
120.02077	6.1
121.01685	4.8
128.98628	4.5
129.03990	4.4
130.93332	2.0
131.00998	2.9
131.01917	34.7
132.01965	1.6
133.01787	1.5
133.03479	38.8
134.03514	1.9
134.99603	2.8
135.03206	4.0
135.05031	3.8
137.02960	13.0
143.01872	12.2
144.99812	3.7
145.03450	8.6
146.99689	2.4
147.05031	4.4
149.02904	8.9
151.04526	3.4
154.98328	1.9
155.01929	7.0
157.03494	5.9
158.99638	5.0
159.01422	2.4
159.05025	8.1
161.01564	2.9
161.02942	21.9
163.04510	2.5
168.99832	19.6
169.03447	1.6
171.01343	8.0
171.04990	9.9
172.94461	2.1
173.02989	19.0
175.04555	4.5
177.00719	7.1
177.02386	3.5
177.04390	2.2
183.01534	2.2
185.03017	2.5
187.00885	43.3
189.02422	16.8
189.06102	5.1
190.95457	1.7
191.02312	3.3
191.03961	19.5
195.05269	2.0
196.99341	13.5
199.00874	2.8
201.00688	4.8
201.02470	9.9
201.06006	3.7
202.02652	1.6
203.03958	2.3
205.00215	2.7
205.01985	14.7
208.96373	1.9
213.06152	2.8
215.00374	53.0
216.00648	2.5
217.02002	3.7
219.01639	14.2
219.03667	8.9
219.07039	1.7
221.05003	10.2
229.01967	30.8
230.02078	2.1
231.03571	5.6
232.96521	4.8
233.01393	6.3
233.05055	19.1
237.02705	8.7
247.03015	93.8
248.03145	5.6
249.04515	4.2
261.02588	2.5
261.08261	10.2
265.03995	17.3
279.05899	3.8
279.09238	20.7
280.09515	2.8
289.04019	11.0
321.06195	8.9
321.09573	13.4
322.05569	3.8
339.10373	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	321.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04443	1.0
56.93852	1.0
56.96301	1.9
56.96569	29.7
58.82909	1.2
60.97699	1.2
65.87262	1.1
67.67609	1.0
69.03423	2.4
69.07077	4.1
69.27258	4.7
69.27688	3.9
70.06581	2.2
70.07401	2.3
71.05002	1.3
79.05463	1.2
84.08144	2.0
84.96033	12.3
85.02885	2.3
89.06084	1.7
95.81693	1.2
97.02889	2.3
98.23305	2.6
98.97588	100.0
110.97571	24.9
112.99133	1.6
116.98624	38.7
119.63422	1.2
120.08105	4.0
124.49271	1.3
124.99124	1.6
128.98611	19.8
131.00201	1.8
134.99678	8.2
140.98624	4.4
143.00142	10.3
144.98083	3.5
146.99661	8.8
149.01207	1.4
152.98601	10.1
158.97449	1.3
158.99663	14.3
161.01251	7.6
162.99181	2.2
170.99652	10.5
173.01208	1.5
175.02789	1.5
176.98346	1.3
177.00706	16.8
177.04297	1.5
189.00687	6.1
201.00706	5.3
219.01767	27.6
219.05165	1.3
222.04364	1.7
234.99001	3.0
237.02824	38.5
239.02263	1.9
255.04028	2.6
257.03448	1.2
261.06427	11.2
279.07523	86.1
280.07834	3.8
281.90918	1.2
297.08606	18.8
302.09088	1.5
318.11469	1.3
321.08713	55.6
321.11615	17.7
322.08636	2.5
322.18640	1.4
339.09000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0946
Annotation	Flustramine E
Peak:m/z	Relative Intensity
65.69746	2.7
68.38968	2.9
69.23198	20.3
78.91219	3.3
95.89442	3.5
101.00909	3.7
133.03513	3.4
137.16380	3.3
200.41835	3.1
225.78023	3.5
233.67017	2.9
245.05116	4.0
275.48953	3.7
279.09265	6.2
293.35458	3.8
300.60483	3.3
321.12082	100.0
322.12012	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	321.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01871	2.9
55.05516	9.2
57.03440	40.3
57.07072	1.8
61.02933	17.5
67.05499	7.5
69.03434	19.6
69.07059	5.1
71.01347	5.8
71.04993	8.0
73.02919	100.0
79.05488	5.0
81.03442	3.2
81.06736	1.2
81.07068	13.3
83.04980	36.9
83.08623	2.4
85.02908	42.3
85.06535	2.8
87.04469	5.3
91.05479	6.7
93.07048	10.7
95.04972	2.1
95.08623	9.3
97.02901	24.3
97.06518	2.7
99.04440	2.5
105.07041	7.7
107.08614	9.6
109.06519	2.9
109.10144	6.5
111.04449	50.2
113.06020	2.1
115.03928	21.9
116.04288	1.7
119.08592	5.3
121.06520	1.9
121.10133	5.9
123.08064	2.1
123.11710	5.1
125.05998	2.6
125.09656	2.6
127.03915	3.8
127.11168	3.7
129.05501	8.0
131.08562	4.5
133.04947	5.2
133.10110	8.1
134.59859	1.4
135.11775	2.9
137.09601	2.0
143.08565	2.2
145.10095	4.9
147.11716	3.1
149.09631	2.8
149.13156	1.5
151.07617	1.7
151.11169	4.1
155.36853	1.4
157.05020	2.3
157.10135	2.3
159.06310	1.5
159.11719	3.5
161.13217	1.9
167.23338	1.4
171.06531	24.3
187.14902	1.7
189.07527	8.2
189.09012	1.5
195.11659	1.7
204.91052	1.6
205.15930	1.5
217.15807	2.1
225.07697	1.7
246.06635	1.8
261.09177	3.9
278.09152	1.8
285.22147	1.7
289.08682	3.4
303.19833	1.4
303.23169	5.2
306.08749	1.6
321.11234	7.7
321.16971	3.4
321.20724	1.8
321.25439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.1
64.94154	1.7
67.05521	10.8
69.03436	5.0
69.54162	8.7
70.06573	3.9
71.01355	5.6
71.04999	14.2
72.08150	1.9
73.02915	9.1
79.05512	2.3
82.06572	3.5
83.04973	3.3
84.14828	2.1
85.02908	14.4
89.06023	5.3
91.05483	2.6
94.06589	11.0
95.01347	5.7
95.04963	5.5
97.02872	4.8
97.06596	1.9
98.23313	2.7
99.00773	2.2
101.02377	3.7
103.05467	2.0
107.26865	1.7
108.08141	9.5
110.06041	2.2
110.09695	3.4
113.02378	5.9
118.06538	2.3
120.08126	11.6
122.06045	9.3
123.06758	2.6
131.03418	2.8
134.06030	2.1
136.07567	6.4
137.08369	3.8
138.05504	27.2
138.09154	6.6
141.01811	7.5
144.08081	1.8
145.02805	2.2
145.07619	3.1
145.08609	19.8
146.06030	1.9
146.08427	3.5
146.09618	2.0
147.04427	12.1
148.07558	6.6
152.23009	1.7
156.06546	12.6
159.10384	1.7
160.07550	9.5
163.03908	4.3
166.08627	12.6
169.08867	2.5
170.09792	1.8
173.07092	4.0
174.07918	4.3
175.03949	1.9
177.05498	3.7
181.08885	2.3
182.09799	1.9
183.09103	2.0
184.11237	3.4
186.09119	2.5
187.09857	4.5
189.05421	3.6
189.10173	10.3
194.09647	3.0
195.09178	4.9
196.09926	10.0
197.10710	4.2
201.10204	3.0
202.08649	5.8
202.11003	6.9
203.03387	13.8
203.11780	4.9
206.08372	25.4
207.08807	2.9
209.07239	1.8
211.12325	15.1
214.08646	5.6
215.03410	5.6
215.09308	5.3
220.09993	6.2
221.10725	12.0
223.08672	7.5
224.09421	11.3
225.10435	1.9
227.08168	7.5
229.13358	2.8
230.11743	2.5
232.09775	4.2
232.11920	2.2
233.04460	2.4
233.10529	2.3
237.10194	5.1
238.10938	10.7
239.08163	3.4
239.11778	30.6
240.10098	2.4
240.12248	2.5
241.09689	3.5
244.12140	8.3
245.12721	2.2
252.08836	3.2
257.12903	16.9
258.11096	9.2
261.04010	4.7
262.13129	3.4
267.11279	61.4
268.11743	3.5
272.11511	4.3
275.05646	2.1
275.13882	9.1
276.12265	14.8
285.12329	100.0
286.12936	4.2
290.12613	5.1
303.13394	56.7
304.11526	4.9
321.06049	2.5
321.11157	3.1
321.14432	41.0
322.14111	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05505	1.9
65.03956	2.2
67.05508	19.5
67.65655	1.3
69.03426	8.6
69.07056	2.4
71.04996	6.9
71.30708	2.7
79.05489	4.8
81.03413	2.8
81.07056	13.2
82.06543	1.8
83.04964	3.3
85.02926	1.4
85.06544	2.9
85.90929	1.4
91.05464	8.3
93.07033	12.2
94.06579	15.5
94.07152	1.9
95.04964	5.1
95.08606	8.8
97.06520	3.7
105.07041	10.0
107.08572	8.4
109.02892	2.0
109.06512	3.6
109.10159	5.0
109.17654	1.4
111.08067	2.5
117.07003	1.3
119.08584	7.4
120.32327	1.5
121.10155	5.3
122.06026	56.3
123.08081	3.5
123.11666	2.4
124.07590	1.4
125.09644	2.7
127.11238	2.6
131.08536	2.9
133.10126	10.1
135.11694	2.4
136.07574	71.9
137.06064	1.9
137.07910	3.3
137.09612	1.7
141.07013	1.7
143.08582	2.9
145.10150	5.9
147.08032	1.9
147.11696	5.6
149.09637	3.2
151.11176	5.3
159.11722	1.5
161.09595	2.1
164.07068	100.0
165.07353	4.7
165.12714	2.7
175.11229	2.3
182.08139	63.3
183.08424	2.1
187.14880	1.7
189.12848	2.4
193.12209	1.8
193.15976	2.6
199.15045	2.1
201.16408	1.7
221.15295	1.7
231.38858	1.4
258.11227	2.1
261.09052	3.0
285.21744	2.3
289.08435	2.3
303.13324	2.0
303.23184	3.0
304.11725	5.0
306.09045	2.1
321.11172	5.6
321.17365	1.7
321.24179	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05508	3.7
67.05504	22.0
69.03427	6.9
69.07056	1.3
71.04989	4.0
71.30725	1.8
79.05496	6.4
81.03409	2.0
81.07059	13.2
83.04987	1.7
85.02903	1.6
85.06536	2.4
91.05482	8.1
93.07050	10.8
94.06573	17.6
95.04978	3.4
95.08577	6.3
97.06516	4.3
99.08119	1.5
105.07036	7.1
107.08608	6.9
109.06521	2.7
109.10143	4.3
117.07001	1.8
118.46614	1.1
119.08576	4.7
121.10136	4.7
122.06032	60.3
123.04408	2.2
123.08063	2.6
123.11737	2.4
125.09634	3.3
127.11171	2.7
131.08540	2.9
133.10158	7.1
135.08096	1.8
135.11687	2.3
136.07585	65.9
136.08633	3.1
137.05978	2.2
137.09612	1.8
141.09052	1.4
143.08594	1.6
145.10172	3.9
147.04401	1.4
147.07982	2.0
147.11726	2.5
151.11157	8.0
157.10173	1.6
159.11716	2.0
161.09543	2.0
164.00432	1.4
164.07069	100.0
165.07394	2.2
165.12743	3.7
171.11745	2.3
175.11224	1.7
175.14819	2.8
177.05452	1.5
182.08134	65.9
183.08456	1.9
193.15826	2.5
199.11099	2.0
199.14958	1.7
221.15364	1.3
258.11118	2.5
260.42456	1.2
261.09042	1.5
286.10681	2.1
289.08496	2.2
303.23080	2.0
304.11786	7.3
321.11179	4.2
321.24329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
57.03444	2.3
67.05495	3.8
69.03416	4.6
69.07055	4.4
71.04980	2.1
73.02915	3.5
79.05476	4.9
81.07053	7.0
81.74770	1.4
83.04986	2.1
85.02910	1.7
85.06529	1.5
86.09706	85.2
87.10024	2.6
91.05496	6.9
93.07066	5.8
95.04975	1.9
95.08598	5.8
97.06541	2.1
97.10158	1.7
98.22588	3.9
103.05464	4.3
105.07040	5.3
107.05015	1.8
107.08621	6.3
109.06511	1.8
109.10155	6.4
117.06994	1.3
119.08617	6.2
120.08107	100.0
121.06516	1.4
121.08391	1.4
121.10123	4.5
123.08089	3.5
123.11739	2.8
127.11192	3.3
128.10722	48.0
129.06924	1.2
130.85643	1.1
131.04916	2.5
131.08623	2.1
133.10110	6.1
135.08066	1.3
135.11697	3.4
137.09641	1.3
137.13252	1.5
141.09126	1.8
147.11653	5.6
149.05963	1.5
149.13222	1.7
151.11186	2.6
155.10689	1.9
156.10213	11.1
159.11670	2.9
161.23792	1.2
163.11105	1.8
166.08638	52.8
167.08969	1.5
171.06531	1.6
187.14806	1.7
229.54642	1.5
230.21423	1.3
261.09167	3.0
267.83481	1.3
269.62061	1.3
288.69626	1.3
289.08682	2.0
303.23315	2.3
321.10919	3.6
321.16684	1.5
321.20645	1.5
321.24149	2.9
322.25818	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
54.85114	0.5
55.01868	0.9
55.05514	7.6
56.46354	0.5
57.03434	0.7
57.07077	2.4
58.02954	0.9
59.04994	0.8
64.90049	0.4
65.89632	0.5
67.05508	5.9
69.03429	0.8
69.07076	7.1
69.58730	2.0
71.04996	1.7
71.08640	3.4
79.05503	4.3
81.07065	9.4
83.04981	1.3
83.08622	4.4
85.06522	1.7
90.06306	0.5
91.05483	3.0
91.05979	0.7
93.07046	6.3
95.04955	1.2
95.08609	11.1
95.09163	1.0
97.06527	2.4
97.10163	2.9
98.23296	0.6
99.08102	1.5
105.07024	2.9
107.08596	6.0
109.06526	13.8
109.10159	4.8
111.08098	2.6
113.00067	0.5
116.27803	0.5
116.32068	0.5
119.08588	4.7
121.10151	4.7
122.07305	1.1
123.08073	60.3
123.11707	2.1
124.08406	1.0
125.09667	0.6
131.08549	1.3
133.10138	2.9
135.08035	5.9
135.11699	2.1
137.09596	4.2
137.13280	1.0
139.11211	1.4
145.10149	2.1
147.11716	1.9
149.02251	0.5
149.09642	1.9
149.13354	0.9
151.11218	1.0
151.14815	0.8
159.11668	1.0
161.13303	1.1
163.11214	0.8
165.12735	2.3
173.13319	0.5
175.14822	1.2
179.14308	31.1
180.14677	0.8
187.14905	1.5
191.14247	0.7
193.15912	0.9
198.03755	0.6
198.14937	0.6
203.12744	0.8
203.80261	0.5
205.15842	0.9
219.17430	0.7
224.20158	2.4
229.15916	0.6
247.16930	1.5
253.18161	0.6
261.22079	1.0
265.18008	18.1
266.18393	0.8
275.20203	0.5
279.19589	0.9
291.23230	3.0
303.23260	5.1
321.24261	100.0
322.24249	6.8
322.28073	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	321.2427
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05519	7.4
57.07069	3.9
59.26490	1.3
67.05511	6.3
69.07089	6.6
69.42190	7.0
71.08633	2.6
79.05491	5.5
80.94860	6.7
81.07047	10.5
83.04945	1.5
83.08619	4.8
85.06556	3.1
91.05492	4.2
93.07072	6.6
95.08607	12.3
97.06506	2.0
97.10153	3.0
99.08072	1.9
105.07027	3.2
107.08589	6.0
109.06528	20.2
109.10154	3.1
111.08095	2.5
117.07056	1.5
119.08590	5.8
121.10149	5.0
122.07275	1.6
123.08071	64.8
131.08626	1.8
132.26385	1.4
133.10089	2.9
135.08064	8.8
137.09645	3.2
145.10115	2.2
149.09622	1.9
159.11670	1.8
163.11177	1.5
171.03410	1.5
179.14317	59.5
180.14636	1.8
187.14926	1.5
265.17984	15.8
275.20218	2.1
303.23178	4.6
321.24252	100.0
322.24176	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	321.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01870	3.4
55.05515	16.4
57.07068	12.1
61.65635	3.3
62.03181	2.7
67.05503	42.5
69.03435	6.1
69.07077	29.5
71.30711	3.5
79.05485	9.8
81.07057	90.2
83.08617	15.4
83.14814	2.7
85.06544	7.4
86.55276	2.8
91.05470	14.3
93.07042	17.0
95.04929	4.9
95.08611	100.0
97.06532	3.7
97.10162	10.0
105.03383	15.2
105.07024	9.5
107.08588	19.2
109.10165	70.1
109.10907	4.9
111.11717	5.7
119.08549	8.8
121.10152	8.9
123.08035	4.5
123.11715	32.6
128.06190	3.6
131.08627	4.2
133.10112	5.0
135.11694	7.6
137.09547	4.3
137.13240	39.4
143.08702	3.8
147.11665	5.5
149.06003	13.1
149.09634	4.7
149.13303	3.4
151.14819	10.7
157.10115	3.4
159.11618	4.2
161.13208	6.0
200.20108	5.2
214.14673	3.5
234.19400	7.0
251.19980	6.7
261.25613	3.6
321.11295	5.3
321.16760	20.2
321.20471	5.3
321.28125	20.8
322.23724	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03944	0.6
55.01869	0.6
55.05515	4.5
57.07081	1.3
60.04546	1.2
62.06092	100.0
63.06419	0.7
65.03941	0.4
67.05509	17.6
68.05859	0.5
69.07069	3.9
69.14735	3.1
71.05007	0.6
79.05494	10.9
81.07058	16.2
81.07523	0.9
83.08627	1.6
85.06559	0.8
88.03996	0.4
91.05492	5.5
93.07051	12.4
93.07629	0.7
95.04974	0.7
95.08609	13.1
97.06577	0.5
97.10159	0.8
98.06072	0.9
99.04418	0.5
105.07031	4.5
107.08602	7.7
109.06477	0.5
109.10175	4.8
110.98796	0.4
111.08121	0.6
111.88039	0.4
117.07059	1.3
119.08585	2.3
121.10166	4.9
123.11698	3.2
125.09644	0.5
128.62985	0.4
131.08589	1.9
133.10146	2.5
135.11687	4.5
137.13254	1.1
144.10210	0.5
145.10143	1.6
147.11710	1.7
149.09679	0.6
149.13261	2.9
158.11760	0.5
159.11722	1.7
159.32298	0.4
161.13280	1.5
163.14847	1.2
172.13338	0.5
173.13261	1.5
175.14899	0.7
177.16412	1.1
186.14932	0.7
187.14861	1.2
200.16573	0.7
214.18144	0.8
226.17940	0.6
238.18080	0.7
243.20967	2.4
261.22174	4.5
264.50064	0.4
274.87619	0.5
291.19455	1.1
304.26337	2.7
305.21463	0.5
305.24786	1.9
322.19037	0.5
322.27386	14.0
323.20288	0.7
323.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78238	13.3
69.78629	14.7
77.93473	5.8
79.34250	6.1
98.23296	8.5
103.11504	5.9
113.82936	7.4
323.07355	100.0
324.07739	7.4
331.57040	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	323.1275
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03932	1.3
55.01872	1.9
55.05507	3.1
60.95174	1.1
64.42366	1.0
67.05499	3.4
69.03440	5.8
69.07070	5.0
71.04984	1.9
71.30497	1.2
79.05500	6.5
80.57173	1.0
81.03416	2.0
81.07070	5.5
83.04980	1.4
83.08627	0.9
91.05485	6.5
93.07034	3.7
94.04169	2.3
95.04977	3.0
95.08597	3.4
97.06540	2.0
103.05470	4.0
105.07028	19.7
106.07356	1.2
107.05012	1.0
107.08562	2.7
109.02945	1.0
109.06503	4.1
109.10127	1.8
109.81695	1.1
111.08077	1.3
115.05438	4.4
117.07043	2.0
118.04118	2.0
119.04926	2.1
119.08564	4.7
121.06453	1.4
121.10144	2.1
122.03653	5.2
123.04460	1.3
123.08006	1.2
125.05967	2.7
125.09608	2.1
128.06198	2.8
129.06967	1.5
131.04932	3.5
131.08551	2.0
133.06487	10.6
133.10104	4.3
135.04437	1.2
137.05972	54.0
137.09576	1.3
139.05464	1.6
139.11122	1.6
141.06969	1.6
143.05995	1.6
143.08548	1.4
145.10130	2.6
146.03625	9.9
147.04407	3.8
147.11653	2.6
149.05954	3.7
151.07506	1.7
156.05687	1.4
159.11737	1.9
161.05981	100.0
162.06625	3.5
165.09126	1.1
171.08025	3.6
175.07571	2.0
179.08815	1.3
182.08066	1.5
184.05173	2.7
189.07030	2.1
189.12761	1.9
191.08553	4.9
192.09323	3.2
199.03525	1.1
199.07547	17.3
202.05945	1.8
202.07788	23.6
203.08554	36.8
204.09027	1.7
205.06519	2.9
206.07227	1.3
207.07860	1.2
218.07413	1.2
219.08023	11.8
220.08844	13.6
221.05986	1.7
221.09535	1.8
230.07254	4.8
231.08047	56.8
232.08804	10.3
233.05885	2.0
234.06734	1.9
235.11148	2.4
237.09099	2.3
237.14740	1.2
241.06412	1.0
244.42017	1.1
245.09581	3.5
247.07512	9.7
248.08333	28.9
249.08936	5.0
258.06717	4.0
259.07559	39.2
260.08270	19.1
261.08893	3.0
262.09808	1.6
263.10675	28.9
264.10928	1.2
265.08514	5.0
273.09045	1.8
275.06979	4.5
276.07809	19.8
277.08563	9.1
280.11026	1.7
290.09241	2.2
291.10144	82.2
292.10736	10.8
293.08112	9.3
295.09824	1.5
295.13248	4.3
307.09689	1.6
308.10440	7.2
323.12732	98.3
324.13043	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01876	1.6
55.05502	2.4
66.80980	1.1
67.05491	3.2
69.03407	2.1
69.07061	2.7
69.11702	6.4
69.12104	2.8
70.06610	1.5
71.04980	1.1
76.19899	1.1
79.05503	4.9
81.03432	1.7
81.07045	9.1
83.04958	1.0
83.08611	1.4
85.06544	1.3
91.05468	4.9
93.07056	2.5
94.04182	4.5
95.04993	1.2
95.08619	6.7
101.49524	1.0
102.04643	1.1
103.05463	2.8
105.07035	9.5
107.04936	2.2
107.08591	1.6
109.06505	6.4
109.10152	4.0
115.05446	4.3
117.07036	1.5
119.08573	3.5
121.02869	1.8
121.10158	3.3
122.03653	10.2
123.11669	1.4
128.06227	4.0
130.04141	2.6
131.04938	1.9
131.08582	1.4
132.05748	1.1
133.06517	8.7
133.10068	1.2
137.05978	100.0
138.06294	2.9
139.05515	1.2
141.06981	1.8
143.08540	1.3
145.06432	1.2
145.10114	1.6
146.03630	9.4
147.04404	3.8
149.05975	3.5
156.05609	1.4
159.08069	1.3
159.11674	1.8
161.05984	64.6
162.06770	8.8
163.07492	1.2
165.06999	1.6
167.07129	1.3
168.05679	2.4
169.06535	1.0
171.08060	4.7
175.07492	1.4
177.05476	2.0
178.07803	1.9
179.08517	1.5
184.05157	4.5
187.07581	1.8
189.06956	1.9
191.08563	3.9
192.09207	2.2
199.07549	36.6
200.07936	1.6
202.07788	20.0
203.08557	39.0
204.09242	1.5
205.06482	4.9
205.10248	1.4
206.07251	2.2
207.08110	1.4
215.08612	2.5
219.08061	13.0
220.08926	9.5
221.09570	2.3
223.07495	1.4
224.08203	1.3
230.07193	3.6
231.08052	46.1
232.08838	10.4
233.06094	2.0
233.09567	2.5
234.06766	2.6
235.07405	2.3
235.11137	3.9
237.09062	1.5
245.09515	1.9
247.07574	9.6
248.08313	26.6
249.09023	6.0
252.07820	2.0
252.11459	1.2
258.06711	1.4
259.07550	33.0
260.08310	16.8
261.08994	3.5
262.09750	1.9
263.06799	1.8
263.10690	26.9
264.11365	2.2
265.08539	4.8
267.10257	1.4
273.09232	1.7
275.06934	3.2
275.10635	1.2
276.07791	15.0
277.08554	13.8
280.07376	1.5
291.10138	56.3
292.07544	1.4
292.10834	17.3
293.08212	5.9
295.09488	3.0
295.13223	7.3
308.10260	6.7
323.09259	4.4
323.12726	48.8
323.19739	1.6
323.23483	2.1
323.27109	2.1
324.13101	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	323.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05512	1.4
57.03437	0.7
61.84182	0.7
63.13872	0.6
67.05495	2.5
69.03443	3.4
69.07072	3.3
69.23174	0.5
69.93597	0.6
71.04993	1.2
71.30832	1.1
71.38647	0.7
79.05492	4.9
81.05815	3.1
81.07055	6.4
82.07391	0.8
83.04989	1.5
83.08611	0.7
85.02882	0.8
85.06547	1.1
91.05486	3.3
93.07042	3.4
94.06574	0.9
95.04963	2.0
95.08614	2.9
96.08134	10.5
97.06536	1.3
97.10146	0.6
99.04483	0.8
101.16823	0.6
103.05443	0.7
105.07034	2.4
106.06556	1.8
107.04953	1.1
107.08598	2.5
108.08101	0.8
109.06506	1.6
109.10154	2.0
110.06081	0.8
111.08105	0.9
117.06973	0.7
119.08582	1.3
121.06506	1.0
121.10140	1.6
122.06029	2.2
123.04418	0.6
123.11706	0.9
124.07593	38.6
125.07938	1.2
125.09600	0.8
126.05534	0.8
127.03888	0.8
129.06960	0.7
131.08595	1.5
133.06461	0.7
133.10168	1.4
136.07579	61.0
137.05978	2.4
137.07928	2.5
138.08168	0.8
138.09151	2.4
139.11234	0.9
140.07025	1.2
143.08569	1.1
144.69133	0.6
145.10086	1.1
146.42622	0.6
147.04395	0.7
147.08078	0.9
147.11746	1.1
149.13162	0.7
159.08093	0.6
159.11670	0.8
161.05984	3.3
162.06726	2.0
164.07065	100.0
165.07405	4.2
166.07559	0.8
167.07150	0.8
175.11115	0.8
175.14856	0.8
182.08128	72.1
183.08409	2.9
188.03516	1.0
199.07509	1.0
203.08583	1.6
231.08000	1.5
247.07623	0.7
247.99290	0.7
248.08185	1.0
259.07608	1.1
263.10672	1.4
276.07870	0.9
288.12289	0.9
291.10120	2.4
306.13248	1.4
323.09125	1.9
323.12827	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1618
Annotation	Tiruchanduramine
Peak:m/z	Relative Intensity
55.05495	1.4
57.07063	1.3
58.68604	0.5
62.97457	0.5
65.03938	0.7
67.05508	8.9
69.03419	0.6
69.07066	1.9
69.76933	1.5
69.77349	1.4
73.00475	0.6
73.93871	0.5
79.05501	3.2
81.07059	10.2
83.08614	1.6
85.06548	0.9
91.05474	2.4
93.07053	3.7
95.04930	1.2
95.08611	7.2
105.07019	2.3
107.08593	2.8
109.06541	0.9
109.10141	3.2
117.07011	0.9
119.08566	1.7
121.10147	2.5
123.08110	0.9
123.11673	1.8
131.08559	0.8
133.10130	1.0
135.08098	0.6
135.11705	1.2
137.05995	1.4
137.13287	0.8
145.10104	1.4
147.11679	1.3
157.10199	0.9
161.13318	1.2
163.14888	0.6
173.13344	0.9
181.10168	0.7
197.13396	0.7
205.01891	0.7
221.15376	12.2
243.21155	1.1
261.22125	1.9
305.24725	0.7
323.16180	100.0
324.16446	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03951	3.6
55.01881	14.0
55.05511	20.1
57.03441	37.5
57.07072	3.6
62.06090	6.9
62.47476	2.1
65.03947	3.1
67.05509	49.8
69.07076	11.7
71.04997	8.0
71.30485	2.6
79.05502	36.4
81.03400	4.1
81.07059	58.9
83.04994	21.1
83.08636	8.1
85.02921	7.6
85.06544	31.4
91.05485	24.6
93.07061	36.4
95.04975	43.2
95.08601	20.1
97.06542	5.8
97.10184	6.8
99.04471	2.8
105.07025	20.6
107.04967	5.1
107.08598	25.7
109.06534	40.6
109.10197	13.9
111.04441	28.5
111.08069	13.6
113.06014	100.0
116.06270	2.5
117.07029	13.0
119.08598	26.2
121.06506	9.7
121.10126	14.3
123.08063	10.4
125.09658	3.8
129.07005	6.4
130.06790	2.4
131.08589	15.9
133.10164	10.4
135.08072	41.2
135.11702	14.3
137.05928	3.5
137.09634	3.7
139.11282	2.5
143.08559	6.7
145.10130	17.8
147.08061	11.5
147.11699	4.9
149.09647	8.3
153.12746	14.1
157.10153	5.7
158.83545	2.4
159.08096	3.1
159.11728	6.3
161.09653	10.1
163.11177	20.8
165.09099	6.3
165.12730	5.2
171.08183	3.0
171.11705	6.5
173.09615	3.7
176.62674	2.6
181.12267	13.8
189.11124	3.0
189.16463	4.1
191.10696	17.4
199.14763	3.0
201.12779	2.4
209.11652	3.1
217.15924	7.1
227.12767	15.0
249.14839	3.6
255.17496	5.7
259.20526	2.7
263.19971	2.9
273.18500	35.4
287.20209	4.4
291.19559	82.0
305.21152	9.7
324.28845	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	323.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.05517	20.4
57.07077	5.4
67.05514	52.6
69.07078	28.5
69.72059	4.9
69.72384	18.0
71.08633	48.3
71.20953	4.6
74.65345	3.8
79.05491	46.9
81.03415	6.6
81.07057	61.1
83.04993	9.7
83.08611	17.4
91.05476	32.2
93.07048	64.6
95.04966	12.4
95.08611	48.6
97.06510	10.0
97.10123	4.8
98.22681	5.5
99.08100	36.9
104.25397	4.8
105.07059	25.0
105.07675	4.0
107.04961	8.3
107.08607	45.1
109.10173	17.4
117.07056	5.6
117.51829	3.8
119.08591	19.7
121.10151	36.8
123.11697	7.8
131.08571	10.9
133.10114	14.7
135.11716	40.4
145.10094	8.8
147.11679	6.1
149.13327	10.7
151.11159	19.8
152.52921	4.7
157.10120	4.5
159.11700	10.7
161.13278	11.1
163.11240	5.5
171.11722	7.1
173.13419	4.9
175.14786	7.8
179.14307	100.0
185.13191	7.5
199.14691	4.0
217.19341	5.7
277.21667	44.3
323.23685	11.2
323.27313	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	324.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
54.76355	1.2
55.01891	1.5
67.05510	3.6
68.99798	1.4
69.03436	15.8
70.06589	2.0
71.30766	1.7
72.08134	1.3
72.25817	1.2
78.78130	1.1
79.05505	3.5
79.81454	1.1
81.03402	1.7
84.04498	1.5
84.50539	1.1
85.02919	4.1
86.09715	1.2
87.00864	2.5
89.03925	8.6
91.05499	2.5
94.43231	1.4
95.04981	5.6
97.02919	2.4
103.05479	2.3
105.03403	7.6
107.04955	19.1
109.02900	1.6
111.05594	2.0
111.55103	1.1
117.03378	24.3
119.04958	1.3
123.04420	7.3
127.03931	2.9
129.05486	8.4
130.05051	1.7
131.04898	2.4
133.02858	29.5
134.03639	2.7
135.04440	2.9
136.07507	2.1
137.07909	1.6
139.05078	1.5
145.02849	53.6
147.04384	1.8
149.05971	9.9
151.03917	12.4
161.02345	13.3
162.06754	3.7
163.03909	2.8
163.07234	1.8
165.07306	1.5
177.05470	87.2
178.05884	4.4
179.03395	100.0
180.03752	4.7
191.08339	2.1
195.11287	2.1
205.08475	1.4
211.10609	4.3
239.73782	1.2
293.08072	1.2
303.86807	1.3
307.13077	1.3
324.10336	7.1
324.15518	2.0
324.18878	14.0
325.10733	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05512	1.6
59.11804	0.9
67.05508	4.3
67.31065	0.7
69.03434	1.0
69.07075	9.3
69.07422	1.2
71.04996	0.9
71.14592	1.1
79.05490	4.6
80.84344	0.8
80.94884	0.9
81.07050	7.3
83.04986	3.9
84.08263	0.7
85.02908	1.7
86.09709	100.0
87.10049	1.9
91.05476	8.4
93.07051	12.7
95.04977	1.9
95.08619	2.6
105.07027	15.9
105.07681	1.5
107.08611	3.9
109.06522	10.4
109.10176	2.0
111.08087	1.7
111.35326	0.8
119.08591	3.6
121.10187	1.6
123.08079	1.3
127.03929	1.9
128.10719	5.8
131.08575	3.8
132.10214	28.0
133.10123	16.0
137.05957	0.8
145.04913	1.4
145.46175	0.7
147.08134	1.0
147.11685	12.1
149.09627	1.3
151.07506	3.0
151.11188	42.3
165.12759	1.9
175.11192	3.5
185.92986	0.7
192.13892	0.9
193.12215	4.4
199.95851	0.8
240.98686	0.8
260.20093	5.6
278.21146	25.8
278.24182	1.3
279.21487	1.5
306.20663	4.6
324.21698	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.17974	0.3
53.03950	0.5
54.24393	0.3
55.05515	6.3
57.03452	0.4
57.07074	1.6
60.04524	1.0
62.06091	100.0
63.06424	0.6
65.03942	0.6
67.05508	17.5
69.07070	6.6
69.07417	0.6
69.19099	1.5
69.19516	1.0
70.02955	0.9
71.08647	0.8
79.05493	4.7
81.07059	18.5
82.07373	0.5
83.08623	3.3
86.57294	0.3
87.28603	0.3
88.04021	0.4
88.69245	0.3
91.05479	2.5
91.05940	0.3
93.07040	5.0
95.08614	13.6
96.08940	0.4
97.06543	1.1
97.10172	2.1
98.06092	1.0
105.07042	1.9
107.08579	2.5
109.10155	5.6
111.08057	0.4
111.11775	0.3
119.08582	1.8
121.10136	2.0
123.11703	2.4
127.91169	0.3
130.08685	0.4
133.10149	2.2
134.10480	0.5
135.11691	1.2
137.13261	0.9
143.81212	0.3
144.10178	0.5
146.21039	0.3
147.11728	1.5
149.13245	0.6
161.13277	0.9
163.14795	0.8
175.14809	0.9
179.17995	0.5
182.01114	0.3
189.16451	0.3
200.16580	0.3
232.51453	0.3
245.22679	1.6
263.23721	1.9
280.53702	0.3
306.27966	3.8
307.26187	4.0
324.28976	13.7
325.29135	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54487	0.6
50.88858	0.6
51.64695	0.6
60.98039	0.6
61.02945	0.7
69.03432	1.0
70.41912	1.4
85.02894	3.2
98.23299	0.6
127.03903	2.0
138.65962	0.6
145.04968	0.8
145.07637	2.4
155.80087	0.5
163.08705	2.3
185.04236	1.6
194.23840	0.7
285.82458	0.6
294.46729	0.7
310.05484	0.6
325.08945	100.0
325.13614	2.9
326.09299	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	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03941	1.0
55.01868	1.6
55.05510	0.8
57.03428	2.5
61.02934	3.0
65.03925	1.1
67.05486	0.9
69.03426	6.7
70.06584	2.2
71.04996	1.4
71.29971	0.6
73.02902	1.3
76.11703	0.5
79.05508	1.2
81.03428	3.0
81.07047	2.2
83.01357	0.6
83.04983	1.0
84.08160	0.6
85.02908	28.7
86.03226	0.9
87.04463	0.7
89.03919	2.5
91.03950	1.8
91.05479	5.5
93.07013	0.7
95.04961	0.9
97.02890	6.4
99.04459	1.7
99.08097	1.2
103.05432	0.7
105.07025	1.5
107.04952	10.4
107.05616	0.9
107.08592	0.6
109.02877	2.2
109.06531	1.2
109.10135	0.8
111.04445	0.9
115.05416	0.9
115.23618	0.5
117.03386	4.0
117.06964	0.7
117.09129	4.4
119.04942	6.9
119.08630	0.9
120.04476	0.6
120.08113	1.0
127.03919	6.4
127.07603	2.7
129.07045	0.8
133.06511	0.9
135.04414	4.0
135.08098	0.5
136.07523	0.6
137.02357	4.0
137.05977	1.2
145.02876	5.9
145.04951	7.6
145.06209	0.6
145.06566	0.6
147.63300	0.7
149.05968	1.0
151.03842	0.6
159.08087	0.5
160.05090	0.6
163.03905	100.0
164.04243	4.1
171.08095	0.6
175.03889	0.5
177.05463	7.8
178.05898	0.6
181.04977	1.4
191.08308	0.7
193.08572	1.3
197.05945	1.1
203.07019	0.6
205.08530	0.9
213.12367	0.8
214.99554	0.5
217.08670	1.3
233.07964	0.5
235.09639	1.2
265.12238	1.2
283.13281	5.2
301.14340	4.4
307.12845	1.7
325.13184	5.8
343.15530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
54.61489	0.3
55.01872	1.8
56.96568	0.4
57.03440	5.5
61.02932	9.9
69.03435	17.9
69.85468	1.0
69.91930	0.3
70.03770	0.3
71.01374	0.3
71.05000	1.8
72.95272	0.2
73.02927	3.9
81.03427	6.2
83.01353	0.3
84.08121	0.2
85.02912	100.0
86.03202	1.5
87.04486	2.6
91.03967	5.8
93.16393	0.3
97.02901	20.2
98.03222	0.3
98.97598	0.8
99.04454	3.5
101.02398	1.2
103.03945	0.7
109.02885	8.3
115.03935	1.2
116.98601	0.3
123.05614	0.3
127.03928	22.7
128.04105	0.2
133.07611	0.4
145.04973	30.8
145.07582	7.6
146.05309	0.6
148.34180	0.2
156.03279	0.4
163.04015	0.4
163.06039	6.5
163.07373	0.6
163.08672	5.2
172.94414	0.7
174.04495	0.3
190.95403	0.4
241.77580	0.3
300.95477	0.8
314.02112	0.3
318.96680	0.6
325.09811	0.6
325.13974	6.0
325.17834	0.3
326.02444	0.4
344.03564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27924	0.5
53.03933	1.8
53.30584	0.4
55.01859	2.1
57.03442	3.7
57.56398	0.4
59.71774	0.4
61.22483	0.4
61.77001	0.4
67.72588	0.5
69.03429	15.8
69.03764	1.3
69.03983	0.9
69.04374	2.8
69.04679	0.6
71.01339	1.1
71.05000	5.3
73.02883	0.6
74.43618	0.5
75.04535	0.5
79.13588	0.4
81.03420	18.6
85.02888	1.0
91.05475	1.1
99.04448	6.7
99.28724	0.5
106.06445	0.5
116.04927	0.6
117.05506	2.2
118.06557	5.3
137.05980	0.8
145.07605	6.7
147.08072	0.7
147.09174	7.3
150.03384	0.5
162.07904	1.6
163.03847	0.7
163.08585	1.0
173.07115	12.9
175.08710	6.0
177.58150	0.4
187.08688	0.5
191.08156	100.0
192.08530	3.4
195.28680	0.4
203.08197	0.7
231.11235	0.6
233.09286	1.2
243.11473	0.5
289.11887	1.7
295.62372	0.5
307.12863	30.3
308.13202	1.5
325.13947	20.7
326.14291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.46322	0.3
55.01863	0.5
56.96572	1.7
57.03446	0.4
59.20398	0.3
61.02910	0.7
65.03915	0.3
66.00061	0.3
67.03297	0.2
69.03441	1.7
70.06606	0.3
70.98106	0.3
72.57337	0.3
73.02893	0.5
77.81059	0.3
81.03420	0.6
84.08130	0.4
85.02905	6.8
87.04453	0.3
91.03949	0.4
91.05468	0.6
97.02883	1.8
97.99161	0.3
98.97587	4.0
99.04475	0.6
109.02872	0.5
110.07150	0.7
110.97542	0.4
115.03921	0.3
116.98631	1.9
117.05767	0.4
118.06542	4.2
119.01949	0.5
127.03953	2.0
133.07614	5.3
134.99669	0.6
145.05266	1.9
145.07610	100.0
146.08005	3.4
147.09096	0.4
157.03455	0.3
163.08669	62.5
164.09067	1.8
172.94366	0.4
174.97791	0.4
177.00974	1.6
180.97975	0.3
186.05887	0.3
190.95500	0.8
192.98866	0.3
193.09741	0.4
208.96365	0.3
212.05249	0.6
216.98898	2.1
217.99081	0.3
219.02022	1.6
220.02121	0.5
222.97977	0.5
232.96381	0.4
233.03612	0.3
234.99997	3.4
236.00235	0.9
236.66339	0.3
237.03012	0.3
240.99010	2.1
241.98964	0.4
253.01112	0.6
259.00012	8.7
260.00003	1.9
261.03174	1.5
264.98874	0.5
273.98642	0.8
277.01059	5.9
278.01163	1.1
279.00784	0.4
282.99988	19.8
284.00107	4.0
291.99814	0.6
292.98502	0.3
301.01047	28.9
302.01138	5.7
303.01529	0.4
313.01199	0.3
318.96439	0.6
319.02206	1.7
324.02536	0.6
324.89874	0.3
325.01224	1.4
325.13940	67.0
326.14291	3.5
343.02124	6.1
344.02386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
54.11794	2.3
55.01868	5.9
55.05503	4.2
57.03421	11.0
59.04999	2.3
61.02930	10.4
67.05498	5.2
67.55096	2.2
69.03427	21.8
70.06580	5.6
71.04994	7.0
71.08611	5.9
71.31048	2.8
72.08131	2.1
75.74924	1.9
79.05491	9.0
81.03421	10.4
81.07059	27.8
83.04982	3.6
85.02903	100.0
85.06548	4.4
87.04492	2.0
89.03910	5.3
91.03960	3.7
91.05466	5.0
93.07042	2.7
95.04974	3.9
97.02895	22.0
99.04449	3.5
99.08083	20.1
105.07024	3.0
107.04965	4.1
107.08557	2.4
109.02883	7.4
109.06517	25.3
111.04545	2.2
111.05546	2.1
117.03386	6.7
117.07042	3.2
117.09132	79.8
117.85658	2.3
119.08627	2.6
120.04436	2.0
127.03910	24.3
127.07548	42.3
131.08618	2.3
133.10216	2.2
135.04425	6.1
137.02333	8.0
137.06020	4.2
137.09637	2.2
139.05006	2.7
145.02838	10.0
145.04944	21.6
145.06496	5.1
145.10271	2.2
151.03903	2.7
162.05473	3.0
163.03906	37.0
163.06024	4.9
163.07504	4.2
163.09731	5.1
175.07620	3.6
177.05484	9.0
183.38420	2.3
191.08209	3.9
196.11607	4.7
201.05371	2.8
233.05910	3.1
247.10858	2.8
325.12674	17.6
326.12668	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01865	6.1
55.05511	2.3
57.03452	14.3
59.05003	2.1
61.02918	8.3
67.05514	2.8
69.03427	15.8
69.17374	3.8
69.17783	13.5
70.06588	7.4
71.04990	10.2
71.08644	9.5
71.54987	1.8
71.67017	2.1
72.08170	2.7
79.05491	9.8
81.03409	7.4
81.07051	25.6
83.04983	4.7
85.02427	4.2
85.02908	64.6
85.06535	3.3
87.04458	2.8
89.03920	2.4
91.05495	5.5
93.07050	2.4
95.04967	2.8
97.02892	17.0
99.04465	3.8
99.08103	23.5
105.07030	4.3
107.04957	3.1
109.02889	5.4
109.06528	21.9
115.03985	3.0
117.03371	4.9
117.07011	3.3
117.09135	100.0
123.08058	1.8
123.34004	2.1
127.03929	14.6
127.07561	49.5
129.07014	2.3
132.08064	3.4
133.55612	2.2
133.95529	1.8
135.04433	6.5
137.02298	4.2
137.05971	2.8
143.08679	2.0
145.02890	10.5
145.04979	11.8
150.09081	2.1
159.07964	2.5
163.03935	17.6
163.05965	3.0
163.07494	2.5
163.09669	5.8
175.03906	2.1
177.05467	11.5
193.09897	2.3
197.09428	2.0
201.05563	3.3
201.08971	2.4
209.33481	1.9
264.99146	2.2
276.09769	2.4
280.11786	4.3
293.08176	4.0
325.13281	19.3
325.17764	3.9
326.12024	17.0
337.90039	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	325.2163
Annotation	Erythrophloin E
Peak:m/z	Relative Intensity
53.03938	6.2
55.01872	4.0
55.05507	12.7
67.05505	22.9
68.99757	3.5
69.03423	8.0
69.07061	15.6
69.85966	14.8
71.04980	6.3
79.05504	28.0
81.03417	5.3
81.07056	32.3
83.04985	11.4
83.08629	6.7
85.02923	7.4
85.06571	5.6
91.05494	24.4
93.07057	24.4
95.04539	3.3
95.04985	38.1
95.08603	15.7
97.06549	24.3
97.10223	4.0
105.07045	49.3
107.08588	19.6
109.06509	11.4
109.10149	12.9
113.05981	5.7
117.07018	9.9
119.08588	35.2
121.06521	8.1
121.10121	18.7
123.08099	7.2
123.11720	6.8
128.06239	8.5
129.03621	3.7
129.07045	9.6
131.08617	17.0
133.06519	4.2
133.10130	20.7
135.08009	7.1
135.11713	8.1
141.06989	9.1
142.07758	13.1
143.08612	26.1
145.10141	30.8
147.08070	7.3
147.11705	4.5
151.11192	6.7
153.07004	4.6
155.08549	10.2
156.09323	7.4
157.10133	28.5
159.08043	7.6
159.11726	13.1
159.55568	3.3
161.09628	8.8
161.13274	4.0
165.06982	7.4
167.08582	10.4
168.09392	5.8
169.10143	17.1
170.10898	4.7
171.11707	17.3
173.09584	5.8
173.13293	11.4
177.12598	4.4
179.08591	10.6
180.09314	5.1
181.10139	17.2
182.10864	10.3
183.11700	15.6
185.09576	18.6
185.13284	9.8
187.11185	5.6
192.09277	6.3
193.10133	12.1
194.10899	5.2
195.11652	17.9
196.12601	4.3
197.09535	5.3
197.13277	20.1
199.11166	10.8
199.14784	4.5
201.12677	5.2
207.11717	19.8
208.12540	10.1
209.13278	15.6
211.11086	4.0
211.14784	13.6
213.12762	5.2
213.16318	4.8
215.14383	5.8
218.10927	7.4
219.11757	6.4
221.13240	8.4
223.14848	14.4
225.12761	9.5
227.14310	11.9
233.13272	13.0
235.14944	4.9
237.12846	6.5
237.16327	8.7
239.14159	4.6
241.15891	8.5
247.14879	4.8
248.15579	5.9
249.16238	5.5
251.14291	13.7
263.17929	6.7
265.15866	6.0
267.17514	4.2
269.15363	8.0
279.20972	4.9
285.55771	3.5
289.19232	5.1
297.22058	7.1
307.20599	39.7
325.21631	100.0
325.24835	3.7
326.21991	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	325.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.2
55.05513	11.9
57.07092	5.2
67.05504	21.2
69.03424	5.4
69.07069	12.7
71.04982	5.1
75.44521	4.5
79.05512	16.0
81.07051	23.9
83.04996	7.5
83.08609	10.0
85.02898	5.7
91.05474	25.8
93.07048	31.2
95.04974	41.8
95.08622	18.2
97.06561	5.5
102.05499	4.0
103.05473	5.0
105.07014	32.3
107.08588	21.9
109.06525	7.8
109.10155	14.9
115.05457	4.7
117.07014	10.0
119.08610	32.1
121.06443	8.2
121.10160	19.1
123.11681	7.5
125.09650	5.2
128.06241	6.7
129.07022	9.6
131.08572	25.6
133.06488	5.5
133.10139	15.1
135.08070	8.6
136.08459	4.9
141.07047	4.9
142.07805	14.5
143.08568	18.9
144.09335	4.9
145.10126	26.4
147.08078	9.7
147.11699	5.7
149.09625	4.9
149.13295	4.0
155.08566	8.3
156.09334	11.4
157.10106	35.1
159.08112	7.8
159.11714	17.2
161.09651	6.9
165.07079	4.9
167.08629	8.1
169.10141	18.7
170.10979	5.1
171.08089	5.6
171.11726	17.5
173.13264	16.2
179.08586	11.7
180.09393	4.4
181.10136	20.6
182.10881	9.5
183.11714	15.0
185.09608	10.8
185.13280	10.6
187.11171	7.8
192.09361	6.8
193.10176	15.2
194.10890	12.3
195.11755	19.6
197.13298	15.5
199.11244	6.0
199.14888	10.9
205.10081	7.6
207.11716	19.3
208.12369	11.9
209.13303	16.8
211.14784	12.1
213.12805	12.4
218.10899	5.7
220.12584	7.8
221.13251	7.8
223.14833	25.1
225.12752	12.6
227.14240	10.9
233.13278	10.7
237.12880	5.8
237.16362	5.8
241.15872	7.7
249.16492	5.2
251.14272	22.4
265.15860	7.3
279.20932	9.6
287.07083	5.3
297.22150	11.0
307.20480	40.0
308.21118	5.1
325.21597	100.0
325.25232	7.3
326.22006	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	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.02395	0.9
53.03944	2.5
55.01867	1.9
55.05268	1.4
55.05514	17.5
57.03442	9.8
57.07072	6.7
65.03938	4.2
67.05507	99.3
68.05840	1.9
69.07069	12.0
69.11307	4.6
69.11716	3.2
71.05000	4.8
71.08600	1.1
75.04471	2.1
78.67244	1.2
79.05496	62.2
80.05829	1.9
81.07059	100.0
82.07383	2.0
83.04974	1.8
83.08613	8.5
85.06528	6.5
91.05479	28.5
93.07046	80.3
94.07357	1.4
95.04964	3.4
95.08610	67.6
96.08949	1.5
97.06541	5.5
97.10151	2.3
99.08096	7.4
101.79071	0.9
105.04566	1.4
105.07032	20.7
107.08602	41.9
109.06503	2.7
109.09449	2.0
109.10162	36.6
111.08070	2.3
113.09647	2.8
117.07024	11.3
119.08585	18.6
121.06443	1.0
121.10146	51.6
122.10477	2.3
123.08052	2.2
123.11709	27.1
125.09628	4.0
128.79352	1.0
129.06999	1.0
131.08575	22.1
133.10133	19.9
135.08057	5.3
135.11693	56.4
136.12029	1.8
137.09616	3.3
137.13231	7.9
138.60678	0.9
139.11230	2.1
145.10124	19.0
147.11681	14.0
149.09645	3.8
149.12148	1.6
149.13260	22.1
151.11182	3.6
153.12729	1.3
159.11693	20.8
161.13222	3.5
163.11168	2.2
163.14809	2.1
173.13261	14.6
175.14873	2.1
177.12767	2.0
187.14786	3.0
189.16331	2.7
191.14252	1.4
191.17975	2.0
205.15837	2.5
205.19485	12.2
215.17953	47.0
216.18324	2.3
233.18996	68.2
234.19342	4.0
251.20007	6.9
280.17157	0.9
293.10309	1.1
307.22656	8.5
308.23166	1.2
325.23752	20.6
325.29089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
53.03944	4.1
55.01871	1.9
55.05264	1.7
55.05513	18.2
57.03452	6.4
57.07077	10.5
61.55058	0.9
63.42100	1.0
64.86231	0.9
64.86575	0.9
65.03938	3.9
67.05508	96.5
69.07073	15.8
69.13290	4.4
69.13712	3.8
70.25405	1.0
71.04996	6.9
71.08639	2.2
75.04464	2.0
77.03899	1.2
79.05495	75.1
81.07059	99.4
82.07372	1.5
83.04984	1.7
83.08626	9.0
83.99438	1.0
85.06552	8.3
91.05482	33.3
91.30437	1.1
93.07047	100.0
94.07381	2.0
95.04971	7.9
95.08609	63.7
96.08949	1.3
97.06531	7.0
97.10159	4.6
99.08092	9.7
105.04528	2.1
105.07034	26.7
107.04970	1.6
107.08599	58.1
108.08994	1.0
109.06516	4.6
109.10157	37.8
109.10915	1.8
110.10436	1.1
111.08078	3.3
113.09630	3.7
117.07025	17.9
119.08587	20.9
121.06487	2.0
121.10147	63.1
122.10497	1.8
123.08052	3.2
123.11708	28.6
125.09620	4.4
129.07025	1.4
130.07802	1.7
131.08574	30.1
133.10135	28.2
134.10457	1.8
135.08078	6.4
135.11696	74.2
136.08397	1.5
136.11995	1.9
137.09644	2.0
137.13258	5.6
139.11176	3.6
143.08553	2.5
144.09457	1.4
145.10126	24.5
147.11691	15.8
149.09634	4.2
149.13258	27.1
150.13576	1.2
151.11183	3.4
157.10129	3.9
159.11699	29.2
161.13272	4.7
163.11206	3.9
163.14847	2.7
169.10104	1.8
171.11656	3.0
173.13269	20.1
175.14839	2.7
177.12711	2.0
185.13176	1.6
187.14806	5.3
189.16376	3.3
191.17975	2.8
192.09587	1.0
205.15868	3.3
205.19540	16.5
207.40062	1.2
209.13330	1.4
215.17960	57.0
216.18266	3.0
217.19569	1.4
223.14662	1.3
233.19006	79.4
234.19347	4.0
235.20583	1.5
251.20119	3.4
307.22800	2.8
325.18079	1.1
325.23914	17.9
325.29218	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	TOFA
Peak:m/z	Relative Intensity
50.85113	1.4
50.88213	1.2
53.03946	3.0
55.01866	2.9
55.05515	20.5
57.03439	8.7
57.07077	9.7
61.06522	1.6
65.03932	2.6
67.05507	95.5
69.07068	13.3
69.53548	6.1
71.05002	6.1
71.08650	1.9
71.09042	1.5
75.04488	2.1
79.05494	65.3
81.07061	100.0
82.07363	2.1
83.04984	2.9
83.08639	9.4
85.06547	7.1
86.47338	1.3
87.02326	1.7
91.05482	33.7
93.07049	78.8
94.07396	1.7
95.04980	11.3
95.08612	70.9
97.06531	7.8
97.10192	2.5
98.22572	1.7
99.08111	6.9
105.04534	1.9
105.07033	32.7
107.08598	52.2
109.06521	4.5
109.10156	38.0
111.08079	3.2
113.09655	4.6
116.06179	1.3
117.07013	16.8
119.08585	20.6
121.06476	1.7
121.10150	57.8
122.10486	1.6
123.08084	2.9
123.11715	30.6
125.09606	2.6
129.06979	3.3
131.08583	26.8
133.10132	24.4
135.08083	3.9
135.11699	59.7
136.12064	2.0
137.09706	2.3
137.13242	6.1
139.11183	3.3
141.06993	1.8
142.07805	3.4
143.08594	3.4
145.10124	28.2
147.11687	13.4
147.16026	1.4
149.09604	4.5
149.13269	26.0
151.11197	3.3
155.08540	3.1
156.09402	2.1
157.10150	6.3
159.08109	1.9
159.11713	21.7
161.13274	5.2
163.11221	4.1
163.14757	2.2
167.08621	2.1
168.09361	1.5
169.10178	2.8
171.11668	4.1
173.13277	16.9
177.12776	3.1
179.08601	2.5
181.10165	3.8
181.12482	1.6
183.11725	2.6
185.09660	5.7
187.14859	6.2
189.16455	1.7
191.14317	2.3
191.18161	2.0
192.09395	1.8
193.10103	3.4
194.10823	2.7
195.11723	2.2
197.13258	5.3
199.11249	1.6
205.15923	2.5
205.19536	14.6
207.11688	4.2
208.12573	1.9
209.13210	3.3
211.14816	2.0
215.14787	1.9
215.17958	49.8
216.18301	2.5
221.13263	2.3
223.14851	2.4
225.12735	1.8
233.19005	63.7
234.19310	5.3
239.14502	1.5
241.15781	1.7
247.14697	1.8
251.14243	2.8
251.20148	6.6
300.56573	1.4
307.20306	7.5
307.22824	6.9
325.21451	13.3
325.24124	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	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01870	2.9
55.05520	15.0
57.07073	6.9
67.05519	19.4
69.03416	6.3
69.07069	19.2
69.80117	4.1
69.80510	6.2
71.04997	2.2
71.08633	22.8
73.54543	2.0
79.05489	13.3
80.46020	2.0
80.74420	2.0
81.07066	30.5
82.74902	2.0
83.04954	3.0
83.08624	5.6
85.06549	2.4
91.05489	5.5
93.07041	16.9
95.04964	8.8
95.08613	24.0
95.09182	3.4
97.06541	5.3
99.08100	20.4
105.07033	8.8
107.08591	8.5
109.06528	33.5
109.10144	8.5
109.10849	2.2
117.07027	3.7
119.08602	11.4
121.06494	11.8
121.10146	8.7
123.08065	5.5
123.11667	2.4
131.08542	5.2
133.10118	3.6
135.08046	4.9
135.11655	3.6
139.11169	8.0
141.09094	3.2
145.10039	3.8
147.11696	5.6
158.97609	2.5
161.13275	4.7
163.11162	2.6
163.14833	2.4
165.12762	55.0
173.13237	5.2
177.12753	7.5
181.15852	16.2
187.14767	3.2
191.14287	5.0
251.16499	7.1
261.22113	22.6
271.20624	5.3
279.23175	8.4
289.21661	45.5
290.21948	4.5
307.22653	100.0
308.22961	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	326.0873
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
53.03937	1.0
55.01866	2.6
57.03436	2.7
64.01912	0.9
65.03954	3.7
67.05497	1.1
68.02639	0.8
68.99763	1.1
69.03426	2.2
70.06596	65.7
70.43339	1.8
72.08136	1.3
73.74257	0.7
79.05486	1.3
80.05015	1.0
81.03423	1.8
83.01351	1.4
84.02143	1.7
85.02913	4.9
86.09706	10.6
90.03457	7.6
91.05467	1.7
92.05034	2.1
93.03432	1.8
94.04192	0.8
95.04964	3.5
97.02919	5.5
98.06074	4.2
98.98473	72.7
103.05478	1.6
104.05060	1.0
107.03727	3.0
107.04979	1.0
108.04469	1.7
109.02859	2.6
110.03658	2.9
110.06016	1.5
110.07158	5.4
111.04465	1.4
112.03979	1.0
116.05762	0.9
116.07092	9.7
116.99480	1.6
117.05771	0.8
118.02901	5.8
118.06535	0.8
119.03680	0.7
119.04952	1.3
120.00829	1.5
120.04449	4.0
120.08137	0.9
122.02419	1.8
122.06043	1.7
122.07262	0.8
123.04432	2.1
124.05229	2.8
125.06010	12.4
125.06895	0.7
126.05521	1.4
131.04932	2.1
133.01601	1.0
135.03169	14.6
135.04260	1.0
136.03946	8.1
137.04736	2.5
137.05980	2.5
138.03136	1.1
138.05557	0.9
140.04750	0.9
140.07100	3.9
141.05486	0.9
146.05925	1.7
147.04387	1.7
148.03954	3.0
150.01924	1.3
150.05505	12.9
151.03888	0.9
152.07143	5.2
153.05490	2.5
156.07724	1.4
161.04747	1.2
161.05966	1.5
162.01868	1.1
162.05495	2.4
163.02655	3.5
164.03339	1.0
164.07024	0.9
165.04243	4.9
168.06551	7.6
169.04971	1.1
174.99234	10.1
176.03506	2.1
176.07074	1.6
177.05455	1.2
178.05000	84.0
179.05447	3.2
180.06564	13.9
182.08139	2.8
183.14967	10.9
190.04997	1.9
191.05757	0.9
203.05272	2.8
205.30605	0.8
206.04469	2.3
206.08116	2.1
208.06070	29.9
208.09526	1.2
209.03229	1.9
210.03925	2.1
211.14423	13.2
213.12354	24.4
219.05060	1.1
224.05573	4.3
234.03978	3.0
234.07532	4.6
236.05556	4.6
236.09206	5.4
250.07124	2.6
251.00134	1.4
252.05042	99.5
253.05418	3.0
262.07153	12.9
264.08685	3.6
266.06516	2.4
277.08551	0.8
278.06607	10.2
280.08170	4.5
287.85544	0.7
290.06604	3.3
308.07718	14.3
319.37131	0.8
326.08694	100.0
326.20819	2.2
327.09125	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	326.3054
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05261	1.0
55.05510	8.0
57.07081	3.2
62.06092	100.0
63.06435	0.8
67.05513	6.9
69.07069	10.4
71.08632	1.2
71.31884	0.8
79.05499	3.9
81.07062	6.2
83.08622	6.5
85.10192	1.0
91.05522	1.0
93.07037	5.0
95.08604	6.1
97.06552	0.7
97.10170	3.3
98.13579	0.5
98.98470	11.4
99.95961	0.5
105.07059	0.9
107.08608	2.5
109.10152	2.4
111.08108	0.6
111.11735	1.2
112.35894	0.6
121.06516	0.8
121.10154	3.6
122.10477	0.4
123.11716	0.9
133.10249	0.6
135.08084	0.5
135.11751	1.6
137.13295	0.6
138.14490	0.5
147.08047	0.6
173.13304	0.5
174.99252	1.5
225.50842	0.5
233.15379	0.9
239.01437	0.5
247.24301	0.8
265.25409	0.7
291.74713	0.5
295.72128	0.6
296.43304	0.5
303.49692	0.6
308.29553	3.1
309.27878	6.8
310.28152	0.7
326.30554	20.7
327.07895	1.1
327.23190	1.3
327.30832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00540	1.1
55.01862	1.9
56.96566	16.4
57.03421	3.1
69.03425	2.3
70.02954	5.7
70.06592	2.4
71.31037	1.0
71.95251	1.0
73.02911	1.9
82.99850	1.4
84.08151	2.3
85.02898	2.1
85.96289	0.9
86.09718	3.0
93.05515	0.9
94.99912	1.1
97.02908	1.3
97.99224	1.0
98.97583	33.8
98.98460	56.1
101.00874	9.6
110.07141	6.8
110.80584	1.1
111.07474	1.7
113.00890	7.5
116.50893	0.8
116.98624	15.2
116.99450	1.5
119.01915	17.1
128.98607	1.0
130.93286	4.0
131.01904	18.2
131.02824	0.8
133.05022	1.2
134.99635	3.5
136.03865	0.9
136.07611	1.6
137.02950	2.6
139.02394	1.3
140.03867	1.5
140.07025	0.9
143.01910	3.9
149.02956	1.2
150.05490	1.9
153.01468	3.8
154.93217	1.5
155.01933	7.9
156.07759	1.0
156.96600	1.0
157.03490	7.3
160.06474	1.7
161.02957	8.1
166.07294	3.3
167.01888	1.6
167.07005	1.2
171.02502	27.1
172.02705	1.1
172.94348	31.9
173.02950	16.0
174.02959	0.9
174.97658	2.8
174.99231	6.2
175.04520	2.9
182.03044	1.8
185.02977	11.0
186.04379	3.3
189.03572	66.7
190.03619	4.2
190.95399	22.7
191.03914	1.5
195.02507	6.0
203.03914	1.2
207.00462	1.7
207.02515	4.0
208.96402	5.2
209.04218	1.4
213.03571	44.9
214.03760	2.8
214.95380	29.1
215.04015	3.3
216.98726	2.0
219.02084	1.5
225.03566	19.0
226.03772	1.3
227.05121	4.2
231.04630	29.0
232.04938	1.8
232.96457	100.0
233.05061	13.4
234.99789	2.0
236.05089	1.3
237.03548	4.2
243.04579	6.7
244.05029	1.2
249.59653	1.1
250.97520	46.5
255.04613	7.8
255.97832	1.0
259.49002	1.0
260.94623	1.3
260.99719	1.6
267.04541	2.6
278.95752	2.5
279.00888	1.0
284.99924	1.8
285.05655	2.6
287.97073	2.7
303.00879	2.8
303.06848	2.2
304.03723	1.4
305.98065	1.9
327.06696	37.8
327.12381	2.1
327.18814	1.9
328.03738	10.5
328.06952	2.3
345.07800	4.7
345.13248	3.0
346.04843	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.2
66.07163	0.4
66.88122	0.4
67.83315	0.4
69.42429	2.3
70.06594	1.7
72.08156	0.5
84.04508	0.5
84.08135	1.3
85.02876	0.6
86.09738	0.7
89.01070	0.4
91.05512	0.4
98.98468	99.0
101.00897	1.1
110.07159	2.0
111.07538	0.8
114.57788	0.5
115.60370	0.6
116.98628	2.2
116.99527	2.4
119.01906	1.2
129.03128	0.5
131.01935	0.7
134.99622	0.9
137.02925	0.7
145.07478	0.4
146.07864	0.6
148.07594	0.9
150.05476	0.9
155.01944	0.5
156.07822	0.5
161.02953	0.4
163.08708	0.5
165.01569	0.5
166.07269	0.8
166.08553	0.7
171.02293	0.6
171.05054	0.5
174.97754	0.9
174.99237	10.1
177.00917	0.6
189.03587	1.3
190.95409	0.9
192.98692	1.5
203.05324	5.8
210.99835	0.6
213.03607	0.9
216.98734	1.0
218.98621	0.6
219.02068	1.6
221.01796	0.6
221.05086	1.0
231.04753	0.6
232.96353	2.3
234.99776	0.7
236.99805	2.0
246.99591	0.5
249.06093	0.6
250.97443	1.2
250.99989	1.2
260.99866	3.2
261.02786	0.6
262.03262	0.6
279.00769	2.5
284.99805	8.0
285.02747	0.8
285.99982	1.1
303.00815	12.1
304.01068	1.4
309.09433	6.6
327.10492	100.0
328.10794	5.2
328.14224	0.7
345.02167	2.3
346.05008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.01255	2.5
61.94543	2.7
65.03960	3.1
69.04560	20.9
70.06581	2.7
71.05009	2.5
79.05488	5.8
88.61580	2.5
89.35420	2.1
91.05489	36.0
93.07037	2.7
95.04998	4.9
98.98470	100.0
102.04688	6.6
103.05475	73.5
103.06139	5.0
105.03413	2.7
105.07039	11.2
107.04957	5.5
109.06541	3.5
115.05470	7.7
117.03376	3.3
117.07072	4.1
119.04945	40.2
119.08620	3.7
121.06511	14.2
122.03677	6.6
129.07028	5.2
130.04160	9.5
131.04933	63.6
133.02861	25.6
133.06470	14.0
135.04449	4.9
137.05984	90.0
138.06311	4.7
145.06543	4.7
146.03619	3.6
147.04414	97.3
149.05986	50.4
150.06779	15.2
151.07567	5.2
157.06477	4.7
159.04427	4.5
161.05992	32.0
162.06778	45.7
163.07553	10.7
165.05531	7.2
170.53578	3.2
173.06033	10.0
174.99252	10.4
177.05479	39.0
178.06207	4.8
178.07657	3.2
179.07066	5.3
185.05931	14.4
191.08614	4.9
202.07787	2.6
203.06964	4.3
203.08638	9.0
207.08150	3.2
219.08087	3.4
221.09651	4.3
221.11546	5.2
231.08043	6.5
233.05898	2.5
235.07449	4.4
247.07765	3.1
248.83406	2.5
249.09158	9.7
251.07077	4.3
259.07547	3.9
267.10175	5.3
277.08655	11.9
278.45987	2.7
291.10040	4.6
295.09726	24.9
297.11255	5.2
309.11346	11.2
316.74084	2.4
327.12164	10.7
327.14157	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	327.1226
Annotation	Pongamone E
Peak:m/z	Relative Intensity
50.51457	0.8
51.01834	0.7
51.75004	0.8
55.01877	1.7
60.45404	0.9
65.03941	1.1
67.05527	0.9
69.33134	6.0
70.06596	2.3
72.08161	1.4
75.19402	0.8
79.05495	2.6
83.04982	1.2
86.09721	4.8
91.05497	6.1
94.04188	2.7
94.11860	0.9
95.04982	2.1
98.98468	55.8
101.65316	0.9
103.05479	6.5
105.03369	1.2
105.07034	11.3
107.04966	1.8
109.06496	1.6
115.05467	4.7
116.07099	1.9
117.07039	1.6
119.04946	6.7
121.06509	1.4
122.03645	6.0
123.04465	1.9
128.06252	1.4
129.07005	6.0
130.04167	1.1
131.04942	6.6
133.02859	2.3
133.06480	13.9
135.08109	1.0
137.05981	100.0
138.06334	2.4
139.07549	1.3
143.04922	1.4
145.06517	2.6
146.03667	1.8
147.04408	16.4
147.05476	1.4
149.05994	5.4
151.03938	1.3
151.07478	4.1
155.04916	1.0
157.06491	4.1
161.05983	74.5
162.06665	5.3
163.07524	5.0
165.05540	2.1
165.06946	1.2
173.06046	2.5
174.99236	6.1
175.07568	9.6
177.05486	6.2
178.07841	2.3
179.03441	2.8
179.07043	2.1
179.08545	1.0
185.05991	4.6
191.08589	3.1
193.10121	1.2
195.08032	1.1
202.07701	4.5
203.05478	1.0
203.07068	3.2
203.08659	5.3
205.06555	1.6
206.07321	1.5
207.08160	1.3
219.08101	4.8
221.09641	3.4
223.07552	1.0
231.08061	7.0
234.06761	1.0
235.07588	1.6
236.08379	1.5
237.09155	2.5
247.07553	1.8
248.08371	1.4
249.09164	4.2
251.07208	1.7
251.10674	1.6
259.07559	5.9
265.08667	2.4
266.09317	1.1
276.07904	1.2
277.08551	4.3
279.10117	1.3
281.11713	1.7
291.10193	6.4
295.09680	6.8
297.11270	3.3
299.12943	1.7
309.11282	7.5
327.12100	14.8
328.12491	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	Smiranicin
Peak:m/z	Relative Intensity
53.03932	2.6
55.01873	4.5
65.03941	4.1
70.06611	4.3
70.71136	4.2
70.71494	2.8
79.05505	6.1
89.03920	4.0
91.05482	37.6
98.98476	32.4
102.04694	7.5
103.05476	79.0
105.03410	3.5
105.07021	9.8
106.23256	2.6
107.04945	9.0
115.05454	7.6
117.07040	3.4
119.04938	43.1
121.06478	12.9
122.03628	4.8
125.05970	3.3
129.07014	9.6
130.04146	14.0
131.04924	68.9
132.05687	2.8
133.02852	27.2
133.06490	11.3
135.04414	7.8
137.05981	94.0
138.06274	3.4
145.06549	4.7
146.03612	7.2
147.04411	100.0
148.04851	4.6
149.05980	56.3
150.06789	18.3
151.07591	5.9
157.06551	3.8
161.05963	34.1
162.06763	46.8
163.07532	9.7
165.05443	5.6
165.07132	2.7
173.05910	6.7
174.99280	3.0
175.07523	3.5
177.05490	42.3
178.06203	4.7
178.07713	3.6
179.06990	7.5
185.05936	15.2
191.08485	4.5
202.07751	3.7
203.08524	7.3
207.07976	3.9
219.08090	9.2
221.09459	4.1
223.07617	4.4
231.08058	11.2
235.07515	3.6
247.07556	2.8
248.08217	3.8
249.09059	5.9
259.07568	4.2
263.10660	2.7
265.08685	3.3
266.09390	3.0
277.08606	11.5
279.10187	6.1
281.11652	2.8
291.10226	3.9
295.09610	19.1
297.11157	6.5
309.11142	14.2
327.12100	15.5
345.93124	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	327.1227
Annotation	Smiranicin
Peak:m/z	Relative Intensity
50.24454	0.4
53.03942	0.9
55.01855	1.6
65.03934	1.3
67.04403	0.5
67.05491	0.6
71.04211	0.5
79.05492	6.5
81.07053	1.7
83.04942	0.7
91.04955	0.7
91.05487	9.0
92.05786	0.4
93.07018	1.0
94.04180	3.2
95.04958	1.7
96.42732	0.5
98.98461	9.4
103.05463	13.2
105.03382	1.8
105.06372	0.7
105.07032	10.6
107.04951	5.8
109.06499	1.9
115.05463	4.3
117.07021	4.8
119.04939	6.4
119.08564	0.6
121.06530	3.9
122.03640	8.8
123.04427	1.5
123.08058	1.1
124.05185	0.6
128.06229	2.2
129.06985	4.4
131.04926	14.3
133.02881	0.5
133.06491	24.7
134.06923	0.4
135.04355	0.9
135.08055	6.2
136.05185	1.0
137.05975	100.0
138.06320	2.6
139.07521	1.0
141.06982	0.7
143.04929	1.5
144.05637	0.5
145.06497	10.5
145.61821	0.4
146.03618	1.5
147.04402	15.8
147.08026	2.3
148.04791	0.7
149.05965	2.4
151.03969	0.7
151.07541	7.7
152.04733	0.6
152.06219	0.5
153.05475	1.1
153.07013	0.5
155.04861	0.9
155.05984	0.5
157.06499	3.4
160.05205	1.3
161.05977	39.6
162.06755	2.4
163.07539	27.1
164.07912	0.9
165.05455	1.7
165.06917	0.9
167.04880	0.6
167.07068	10.1
167.08452	0.8
171.07993	0.9
172.05193	0.5
173.05981	14.4
174.06424	0.6
174.99248	0.5
175.07556	5.6
176.08052	0.5
177.05464	2.1
177.09117	1.3
178.07820	3.2
179.07071	1.3
179.08551	1.3
180.07805	0.7
181.06505	0.8
185.06003	2.2
186.06352	0.5
187.07521	1.0
189.05463	0.8
189.07047	2.2
189.08940	0.6
190.07813	1.0
191.08549	2.6
193.10098	1.5
194.07277	0.6
195.08073	1.1
202.07802	4.2
203.06985	2.0
203.08600	5.3
203.10617	1.0
205.06480	1.8
206.07338	3.0
207.08032	2.2
207.11600	0.6
217.06520	1.3
217.10097	0.8
218.07254	1.2
219.08008	3.8
220.08813	1.8
221.09634	3.9
223.07501	2.1
223.79286	0.4
224.08327	1.4
225.09247	0.6
231.08041	3.9
232.08684	0.7
234.06747	2.5
235.07532	3.1
235.11197	0.9
235.15216	0.4
236.08340	0.8
237.05518	0.5
237.09035	0.9
239.07251	0.5
239.10583	0.4
245.09720	0.7
247.07622	1.3
248.08311	1.5
249.09123	6.5
250.09804	0.5
251.07034	2.1
251.10722	0.8
252.07803	1.1
259.07529	2.5
260.08255	0.5
263.07123	1.8
263.10593	2.4
264.07736	0.7
265.08612	1.9
266.09280	1.1
267.10168	4.7
269.08096	0.5
276.07797	1.0
277.08618	5.3
278.09113	0.6
279.06763	0.9
279.10120	1.0
281.08295	0.7
281.11774	2.4
291.10028	2.9
294.08884	1.5
295.09692	10.3
295.13333	4.9
296.10245	1.3
297.07898	1.0
297.11310	2.3
309.11230	4.8
312.09857	1.5
327.12299	16.4
327.15970	3.0
327.94678	0.5
328.12646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70608	1.0
53.03939	2.3
55.01876	23.9
55.05514	2.9
65.03945	14.5
66.04716	1.4
67.05515	4.6
69.03440	3.5
69.07057	1.8
69.72256	5.3
71.04995	3.3
79.05495	7.3
81.03409	2.1
81.07067	8.7
83.04983	1.7
83.08623	1.6
85.02897	1.5
85.06555	1.8
89.03922	2.1
91.05476	16.1
93.03407	12.4
93.07053	9.1
94.04216	6.9
95.04990	3.1
95.08611	5.4
97.02921	1.1
97.06543	2.8
98.23294	1.3
98.98471	95.9
100.11259	1.2
101.02385	1.1
103.05480	5.1
105.04504	1.6
105.07041	4.3
105.41449	1.2
107.04974	4.6
107.08618	5.5
109.06524	4.6
109.10205	2.1
110.03692	3.7
111.04449	20.1
111.08083	1.5
115.05463	26.9
116.99500	1.8
117.03382	1.9
117.07047	3.8
118.06093	1.8
119.04977	2.0
119.08583	3.6
121.06492	7.2
121.10136	2.3
122.03648	12.8
123.04424	1.7
123.08044	1.7
125.05998	17.9
129.07004	1.8
131.04951	6.1
131.08607	1.7
132.05714	2.5
133.02866	2.8
133.06485	3.1
134.03615	1.9
135.04469	3.4
135.08075	2.1
135.11761	1.4
137.05980	100.0
138.06296	2.9
143.04939	17.1
143.05956	1.8
144.05663	1.3
145.02885	2.6
145.06459	2.7
145.10121	2.3
146.03653	1.6
147.04457	1.3
147.08040	6.2
149.05992	3.8
149.09630	1.8
150.06807	2.1
151.03915	8.8
151.07576	3.6
152.06223	1.2
153.05467	16.5
157.10197	1.1
159.04445	1.9
160.05202	12.7
161.05995	4.7
163.07565	3.2
163.11195	1.9
165.07016	4.3
167.08548	1.4
167.10744	1.5
171.04420	9.7
172.05092	1.5
174.06792	2.1
174.99228	11.0
175.07545	24.2
175.08960	1.8
177.05484	12.6
177.06865	2.0
178.07796	13.8
179.08559	12.4
180.09116	0.9
181.06462	3.8
182.07281	1.9
183.07890	1.3
185.05907	1.6
188.04677	2.3
189.05402	1.3
189.06989	15.4
190.07735	1.2
191.06976	1.1
191.08560	1.5
191.10583	1.4
193.06529	2.4
193.10231	1.3
194.07268	2.5
195.07986	5.0
196.08792	1.2
197.05975	2.8
199.24968	1.2
202.07759	1.5
203.07031	24.2
205.06458	8.7
206.07281	11.8
207.08035	15.0
209.06044	2.0
211.07495	2.0
217.06499	11.8
218.07317	5.3
219.08038	1.9
221.06046	3.7
221.09581	2.1
222.06812	2.6
223.07547	8.7
224.08327	4.5
225.09093	2.5
229.16208	1.1
231.08163	1.0
233.06021	2.5
234.06767	29.5
235.07500	14.6
236.08253	2.1
237.09079	4.4
238.09842	1.2
239.10681	1.6
240.07896	2.8
241.08650	1.4
245.05923	6.1
247.07483	1.4
248.08395	1.6
249.09114	30.1
250.06313	2.0
250.09615	2.9
251.07051	12.4
252.07860	4.5
253.08652	3.4
262.06256	11.8
263.06985	8.4
264.07547	1.3
265.08575	7.2
266.09317	5.0
267.10202	20.0
268.07391	3.4
269.07834	1.4
269.10358	1.4
271.28076	1.3
277.08612	50.0
278.09277	6.7
279.06613	7.4
279.09634	1.5
280.07187	2.1
283.09735	3.5
284.10327	1.5
285.11005	1.2
294.08829	21.1
294.11841	1.7
295.09647	12.5
299.12775	2.1
309.11203	28.5
310.11572	2.1
327.12268	27.2
328.12604	2.3
340.97021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85363	0.6
58.63151	0.6
58.81166	0.7
67.05498	1.3
69.03440	0.8
69.14401	5.2
70.06576	1.5
71.04996	0.7
73.02952	0.6
79.05492	1.8
80.41978	0.6
81.07041	1.2
91.05471	4.1
93.07038	0.8
95.04924	0.6
95.08605	0.9
98.23301	1.2
98.98467	22.5
103.05473	4.3
105.07024	1.6
107.04971	0.7
107.08641	0.7
111.00565	11.5
114.22504	0.6
115.05436	0.9
119.04961	2.6
119.08559	1.4
121.02892	1.0
121.06503	0.9
122.03695	0.6
123.08041	1.2
123.66153	0.5
129.06949	0.6
131.04907	4.8
133.02867	1.7
133.06476	1.4
135.08080	0.8
137.05977	7.5
137.09598	1.0
142.73259	0.6
146.03581	0.8
147.04404	5.1
149.05988	2.8
150.06764	0.9
151.03845	0.7
151.07530	1.0
160.07283	0.6
161.05960	2.5
162.06758	2.1
163.07513	1.8
163.80531	0.7
164.80931	0.6
165.05435	0.8
173.06110	0.7
174.99269	2.8
177.05481	2.3
179.08481	0.8
185.05994	0.6
191.08476	0.7
207.07970	0.7
221.09669	0.8
221.11475	21.5
222.11971	0.6
234.06540	0.6
235.07585	0.8
247.12988	4.5
249.11101	1.2
265.14111	1.0
277.08737	1.9
295.09802	1.5
297.11218	1.0
309.13135	36.1
310.13358	1.4
327.14160	100.0
328.14514	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	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03952	0.9
55.01872	1.8
55.05518	0.8
60.99645	0.5
65.03941	0.9
65.78390	0.5
66.04722	0.6
67.05505	1.0
77.03949	0.6
79.05503	3.4
81.03403	0.6
81.07075	3.2
91.05485	5.3
93.07030	1.0
94.04200	2.5
95.04974	1.5
95.08614	0.8
98.98466	78.3
103.04778	1.1
103.05472	21.6
104.05817	0.9
105.07036	11.1
107.04948	3.8
107.08553	0.9
109.06536	2.9
115.05462	2.9
116.99525	1.6
117.07021	2.8
118.80646	0.6
119.04949	1.6
119.08598	1.0
121.06519	7.7
121.10169	0.5
122.03655	7.6
123.04476	1.0
123.08063	1.1
128.06216	0.9
129.06979	1.8
131.04926	22.0
133.02905	0.9
133.06494	37.5
134.06842	0.6
135.08055	12.0
136.05200	0.8
137.05977	100.0
138.06323	2.2
143.04938	2.0
143.08578	0.7
144.05692	0.7
145.06503	8.2
147.04433	1.2
147.08052	3.0
149.06009	2.6
151.03928	0.8
151.07547	11.9
152.07954	0.7
153.05522	1.1
153.06944	0.6
157.06477	3.5
159.08028	0.5
160.05249	0.8
161.06036	0.9
162.06792	0.6
163.07542	53.9
164.07886	2.1
165.06950	0.8
171.08067	2.3
173.06010	0.8
174.99225	6.8
175.07581	5.0
177.09125	1.9
178.07730	0.8
179.08545	0.8
187.07584	2.1
188.08401	0.8
189.09109	2.6
195.08031	0.9
202.07877	0.6
203.10635	1.6
206.07240	0.9
207.08020	1.8
217.10118	0.7
220.08888	1.2
224.08255	0.6
231.08177	0.5
234.06778	1.4
235.07523	2.0
235.11102	2.4
245.09558	1.8
248.08223	0.6
249.09117	2.5
250.99956	1.1
251.07042	0.8
252.07858	0.9
253.08566	0.8
262.06232	0.7
263.07031	0.6
263.08139	0.7
263.10733	5.4
266.09351	0.9
267.10135	1.4
269.08005	0.6
277.08600	3.7
280.10898	0.9
283.09576	0.7
295.09686	2.6
295.13281	9.3
299.12665	0.8
309.11249	1.6
327.12225	6.4
327.15909	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.1
50.03322	0.4
51.02386	2.7
53.03717	0.7
53.03949	9.5
55.01880	0.7
55.05505	1.6
57.07061	1.1
62.59200	0.4
65.03929	1.1
67.05513	2.6
69.07053	1.7
72.87613	0.5
77.01588	0.4
77.03934	2.7
79.05475	2.3
81.03410	1.1
81.07050	3.6
91.05477	3.7
93.03413	0.4
93.07048	6.2
95.04969	18.6
95.08609	4.5
97.06526	1.3
98.98466	54.7
103.05438	0.7
105.04519	4.9
105.07015	4.1
107.08591	3.4
109.06506	1.4
109.10152	2.1
111.04448	0.8
115.05415	0.6
116.99513	1.7
117.06994	1.1
119.08585	4.9
121.06503	1.7
121.10146	3.2
123.08093	1.0
123.11684	0.4
128.06218	1.0
129.07002	0.6
130.07776	0.5
131.08560	2.4
133.06445	0.6
133.10114	3.4
135.08054	2.5
135.11723	1.0
138.99408	0.9
141.07065	0.8
142.07782	1.2
143.08539	1.9
144.09335	0.8
145.10136	3.0
147.11707	1.2
152.06213	28.5
153.07001	21.0
154.07440	1.4
155.08638	0.6
156.09344	0.5
157.10110	3.5
158.10854	0.5
159.11713	3.0
161.09700	1.0
161.13309	0.5
165.09145	1.0
168.05699	8.5
169.06488	3.1
169.10114	1.3
170.07231	0.5
171.08057	3.0
171.11694	1.4
173.13290	1.4
174.99231	6.8
175.01503	2.4
175.14822	2.1
179.06122	0.6
179.08492	0.4
181.10103	0.7
183.11646	0.6
185.09648	0.5
185.13234	0.8
187.03105	1.9
187.14833	1.7
197.13277	1.0
199.14771	1.3
202.07733	1.0
209.13286	0.9
211.14810	0.6
215.02570	5.8
216.03131	0.5
227.08528	2.2
227.14250	0.7
228.09320	7.6
229.10139	3.1
229.16118	0.5
233.03635	28.9
234.03999	2.0
251.00456	0.8
251.04697	15.3
252.04948	0.5
291.21106	0.6
309.06717	0.7
309.22147	1.0
327.07803	100.0
327.23187	1.9
328.08157	9.3
328.35767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
53.48522	0.7
55.05506	2.1
57.07056	1.2
67.05507	4.7
69.07055	3.0
69.54064	3.7
79.05492	2.2
80.94857	1.1
81.07051	5.4
83.08601	0.9
91.05486	7.1
93.07054	9.0
95.04976	10.6
95.08619	7.0
97.06507	2.8
97.07517	0.7
98.22698	1.1
98.98467	100.0
105.07019	7.7
107.08618	3.9
109.06478	1.2
109.10153	2.8
116.99509	2.3
117.06998	2.8
119.08565	7.6
121.06477	2.1
121.10136	5.4
123.08080	1.3
129.06978	1.2
130.07747	1.2
131.08519	4.1
133.10114	5.9
135.08061	1.3
135.11745	1.3
137.09651	1.0
142.07806	1.4
143.08530	2.9
145.10156	5.1
147.11670	2.3
149.13211	1.0
152.06227	3.3
153.06973	1.7
157.10126	4.5
158.10890	1.2
159.11749	5.0
161.09540	1.3
163.11121	0.9
168.05775	1.6
169.10159	2.5
171.11725	1.5
173.13226	2.1
174.99226	10.9
175.14864	2.2
179.08519	0.9
181.10123	1.2
183.11685	1.9
185.13268	1.2
187.11168	0.8
187.14899	1.7
193.10036	0.9
195.11621	0.8
197.13321	1.2
199.14774	1.4
207.33432	0.9
209.13249	1.1
211.14793	1.4
225.16417	1.0
233.03625	3.0
235.14723	1.1
251.00043	1.3
309.22198	1.2
314.82477	0.9
327.07791	10.6
327.23141	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	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.05504	1.2
57.07064	0.9
66.36909	0.7
67.05484	2.2
69.07069	1.9
69.09394	6.5
71.08633	2.9
71.57301	0.9
79.05493	0.9
81.07060	3.4
83.08611	1.4
91.05503	1.8
93.07047	1.8
95.04972	4.7
95.08617	3.6
97.06527	0.9
98.98470	100.0
105.04526	1.6
105.07002	0.9
107.08598	1.4
109.10122	1.3
116.99516	2.6
119.08575	1.1
123.11713	1.1
140.01108	0.9
147.11667	1.4
152.05054	1.4
152.06204	8.9
153.06967	5.5
168.05742	2.7
174.99231	12.8
215.02539	2.0
228.09465	1.6
233.03647	7.9
234.87848	0.8
251.00102	1.7
251.04613	5.0
291.23233	1.7
302.47198	0.9
309.24277	12.7
327.07797	27.6
327.11740	1.6
327.25601	1.1
328.08020	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	327.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50842	0.9
55.01869	1.2
55.05513	10.7
56.33537	0.8
57.03435	3.7
57.07076	5.9
67.05503	22.4
69.07072	14.4
70.17114	3.0
71.04990	4.1
71.08628	1.9
74.06069	1.1
79.05491	8.8
81.07058	28.3
83.04964	1.3
83.08621	8.9
85.02872	1.1
85.06567	3.0
91.05482	6.3
93.07040	9.1
95.04949	1.0
95.08605	24.1
97.06544	3.6
97.10166	5.1
98.98467	100.0
99.08090	2.8
103.03966	1.0
105.07038	6.4
107.08597	4.8
109.06491	1.4
109.10166	11.2
111.08073	1.7
111.11729	2.1
113.09621	1.5
116.99509	3.1
117.07022	1.5
119.08585	7.1
121.10160	7.3
123.11702	5.8
125.09667	1.0
131.08568	1.4
133.10136	8.0
134.10500	0.9
135.11697	7.5
137.13264	4.1
139.11214	1.3
147.11682	4.9
149.13316	1.7
151.11154	1.1
151.14832	2.5
157.10100	1.2
161.13297	5.7
174.99245	10.5
175.14813	1.7
189.16376	1.1
193.12309	1.0
217.19521	13.1
235.20598	10.8
250.99979	1.3
271.22733	1.4
309.24402	4.5
327.25696	4.9
328.18427	1.2
328.22449	23.5
346.71393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49336	0.3
53.08441	0.3
56.58368	0.3
56.96568	15.3
70.06738	0.6
70.07141	0.7
70.29126	0.3
70.98125	0.3
71.95266	0.9
72.96049	0.3
83.97614	0.5
84.96014	0.4
86.09688	0.4
98.97580	27.8
98.98447	3.5
99.97893	0.6
111.52349	0.3
112.92262	0.5
116.98625	11.2
124.00681	0.4
126.02267	0.9
129.12479	0.3
130.93300	3.4
131.01949	0.3
133.72966	0.3
134.99652	2.6
137.55727	0.3
140.03807	0.9
142.05383	0.8
144.03290	0.5
148.94362	0.4
154.93327	1.4
158.04883	1.2
158.92708	0.7
160.06462	1.3
166.07320	0.4
166.08594	0.5
172.02582	0.3
172.94351	36.7
173.94757	0.4
174.99153	0.4
178.07321	0.4
188.06018	0.7
189.03523	0.4
190.03700	1.0
190.95395	24.7
191.03874	0.4
192.98816	0.3
196.94385	0.6
200.93942	0.3
206.07050	0.6
208.96449	5.8
214.03726	0.6
214.95390	40.7
215.95694	0.5
216.96924	1.0
216.98775	0.4
218.94955	0.5
224.08031	0.4
232.04593	0.4
232.96448	100.0
233.96822	1.6
242.93581	0.5
250.97516	47.8
251.97939	0.8
252.97849	0.4
255.98056	1.0
260.94467	2.0
264.58188	0.5
268.98611	0.4
269.96048	0.4
273.99127	0.7
274.97476	1.0
278.95840	1.3
286.02707	0.6
287.96933	2.5
292.98666	0.4
296.96777	0.3
301.02869	0.5
304.03836	1.0
305.98175	1.5
322.00055	0.3
322.04529	0.3
328.03729	13.9
328.06769	0.9
329.04132	0.4
346.04849	73.1
347.05267	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
56.96559	1.9
57.03428	3.0
57.07055	1.8
59.05003	12.9
60.04515	1.3
61.02920	1.4
62.46766	1.1
67.05478	1.2
69.03423	2.6
70.06594	1.5
70.76395	2.1
71.04986	4.3
72.04514	5.9
73.02908	2.9
82.54167	1.1
83.01324	2.2
83.04985	2.6
85.02898	3.1
85.06538	1.9
85.18645	1.0
87.04459	9.2
91.05452	1.0
97.02912	1.7
98.98466	100.0
101.02374	2.8
101.06007	1.2
103.07586	7.3
105.05488	2.9
109.02889	1.4
111.00802	3.5
113.05972	2.9
115.03926	7.7
116.98634	1.5
116.99510	2.2
118.05026	9.6
120.08100	3.1
127.03887	1.1
129.01852	10.1
132.08083	2.3
133.04984	2.1
143.03403	4.6
145.04909	1.2
148.11195	2.9
149.08089	2.3
151.07558	1.9
154.04999	2.4
157.01338	5.1
161.04433	9.4
166.07317	1.3
166.08672	3.0
166.12282	2.6
171.02910	4.5
174.99225	7.6
176.98911	2.3
183.55588	1.0
186.02672	1.2
189.03934	22.0
207.05013	3.4
247.84253	1.2
247.86951	1.0
264.12305	2.0
275.07599	20.8
292.11621	2.7
293.05518	1.3
293.08713	4.5
310.12860	3.6
316.11685	1.6
328.10202	1.9
328.13718	4.0
328.17325	1.9
329.12054	44.0
333.68076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98172	0.7
55.01879	1.6
55.05513	4.5
57.03452	1.4
59.05002	21.1
60.75109	0.7
65.03960	0.9
65.49231	0.7
67.05494	1.3
69.03430	3.3
69.07078	6.1
70.06593	35.7
70.61552	1.6
70.61906	0.8
71.04997	1.4
71.06927	0.7
72.08156	32.8
73.02882	0.8
73.06558	30.3
79.05500	2.2
81.03402	1.3
81.07046	1.7
83.08616	0.8
84.04498	0.9
84.08136	5.2
85.02917	6.4
85.06540	1.0
86.09707	100.0
87.04465	0.8
87.10049	2.3
91.05472	2.3
93.07061	1.8
95.04992	1.9
95.08631	0.8
97.02882	2.1
97.06526	0.8
98.98468	88.3
99.04473	0.8
100.07677	0.8
100.98898	1.2
103.05457	3.9
105.03796	0.7
105.04510	0.8
105.07066	1.8
106.02929	1.9
107.85900	0.7
111.03235	0.9
111.04424	1.1
116.07093	74.1
116.99494	2.3
117.07448	1.4
117.09121	4.4
119.04952	1.2
119.08576	0.8
120.08105	35.5
121.08440	1.0
123.04430	1.0
124.03951	9.1
124.07603	1.0
127.03902	1.8
130.05051	0.9
131.10698	3.0
133.05042	0.8
133.06371	0.8
136.07608	2.6
137.05981	3.6
138.05486	2.0
138.06357	2.0
138.09187	1.3
147.04411	1.1
148.07584	9.2
149.06015	0.8
149.09818	0.9
149.11734	20.9
150.12077	0.9
161.06013	1.4
162.06322	1.6
163.07484	0.8
165.05527	0.9
166.08609	6.9
174.73566	0.8
174.99240	7.1
175.07611	1.0
176.98967	2.6
177.05469	1.4
182.08170	2.0
185.16493	35.4
186.16849	1.1
190.08678	0.8
208.25304	0.7
213.15987	17.1
214.16353	1.0
215.10297	0.7
215.13873	3.7
219.14844	1.5
253.00017	0.8
328.06525	1.7
328.15057	0.9
328.22253	0.8
329.12112	4.6
329.15704	3.7
329.19055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.0
69.07064	1.3
69.28828	6.4
70.06596	43.8
72.08158	74.4
73.08488	1.3
81.91689	0.9
82.06586	0.9
86.09707	75.2
87.10030	1.6
98.22668	2.1
98.98470	55.0
116.07095	100.0
120.08099	1.3
121.02804	1.0
122.03157	1.3
124.03921	1.6
130.05081	1.0
131.04832	0.9
136.16792	0.9
137.05980	3.9
138.06404	0.9
165.60869	0.9
166.12291	1.6
174.99266	3.8
176.98906	1.6
185.16498	41.5
186.16849	1.7
201.12302	2.2
213.15984	17.4
214.16284	0.9
215.13930	2.5
217.24165	0.9
229.15465	3.4
298.72125	0.9
338.65775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.05512	22.2
57.03437	5.7
57.07077	2.1
64.90749	1.8
67.05507	51.1
69.07068	25.6
71.03779	3.2
71.05001	4.7
79.05501	37.0
81.07056	100.0
82.07389	1.9
83.04985	5.6
83.08624	18.3
83.38745	1.7
85.06550	2.8
90.50937	2.0
91.05473	24.5
93.07049	37.9
95.04991	6.0
95.08603	27.3
97.06526	9.2
97.10169	10.5
98.98464	26.1
99.08094	7.0
105.07027	19.7
107.04959	3.9
107.08601	21.7
109.06525	4.4
109.10145	10.7
110.37724	1.8
110.77505	1.9
111.08132	4.4
117.07027	8.6
119.08581	12.4
121.06506	2.9
121.10149	13.7
123.08098	2.9
123.11688	5.2
125.09614	9.0
129.97815	1.9
131.08588	10.2
133.10124	21.9
134.83936	2.3
135.08041	3.8
135.11708	11.2
137.09630	3.1
143.08606	2.0
145.10164	9.5
147.11671	11.8
149.09631	6.7
149.13254	27.6
157.10143	2.2
159.11688	13.9
161.13278	4.6
163.11176	5.4
173.11836	2.3
174.99222	2.3
177.12747	6.8
179.14326	1.9
189.11154	9.8
190.11653	2.1
195.13823	45.2
195.15616	2.6
213.14787	16.6
239.18019	3.8
257.19150	5.5
275.20059	49.4
293.21130	6.6
328.24902	13.7
328.82645	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17059	0.7
53.43435	0.7
55.01882	0.9
55.05508	9.1
58.75772	0.6
67.05499	3.7
69.03428	1.4
69.07066	3.6
70.94094	1.5
77.01594	0.6
79.05489	4.2
81.07049	2.6
83.04987	1.3
83.08625	4.5
91.05463	2.4
93.07057	2.3
95.08624	1.5
97.10177	10.1
98.98466	100.0
100.98877	1.0
105.07040	1.6
107.08594	11.1
109.06547	0.9
111.08056	1.2
116.99503	2.9
119.08588	1.7
124.11240	0.7
125.09644	9.4
133.10114	1.3
135.07996	0.8
147.11702	0.9
153.09064	1.0
174.99202	6.5
176.98930	2.9
189.11241	11.2
252.99776	1.2
257.18942	1.3
262.40411	0.8
275.20081	9.6
276.20477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
66.59674	0.7
67.05500	5.8
69.07075	1.9
70.38570	0.9
70.38892	1.3
79.05491	4.6
81.07062	2.7
83.08610	1.6
88.26234	0.7
91.05489	2.6
93.07040	3.2
93.40861	0.7
95.04977	1.3
95.08616	2.6
97.10170	1.7
98.22666	1.0
98.98470	100.0
105.07036	2.1
107.08606	1.7
109.10173	3.4
110.79953	0.8
116.99524	2.9
118.95472	0.8
119.08593	2.0
121.10186	1.9
121.90660	0.8
131.08574	1.1
133.10117	1.4
140.01067	1.1
147.11716	1.0
172.13306	1.0
173.11751	1.1
174.99240	7.2
176.98911	3.0
184.47655	0.7
189.11259	1.1
275.20129	1.0
277.12881	0.9
312.89474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67645	0.6
54.08517	0.6
55.01872	0.9
55.05516	3.9
55.05758	0.8
66.19581	0.7
67.05183	0.9
67.05510	9.1
69.07059	3.2
69.78435	2.6
71.04993	1.3
75.68562	0.8
79.05487	6.5
81.07051	5.8
83.08614	2.1
91.05473	5.5
92.42838	0.7
93.07049	5.6
95.04963	1.7
95.08613	3.3
97.10201	1.2
98.09652	0.8
98.23424	0.9
98.98466	100.0
99.74203	0.7
105.07038	3.6
107.08619	4.2
109.10174	3.8
116.99484	2.9
119.08574	2.1
121.10133	2.7
125.09660	1.5
127.39364	0.7
131.08604	1.0
133.10077	1.7
135.11678	1.0
137.09622	1.9
145.05684	0.8
145.10190	0.9
147.11711	1.3
154.12247	1.6
172.13321	3.2
173.11646	1.8
174.99219	7.0
176.98946	3.1
252.99756	1.1
275.20013	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.05010	0.8
61.27631	0.8
67.05503	5.7
69.07072	1.1
69.53672	3.5
79.05481	1.7
81.07047	2.1
91.05468	1.7
93.07043	2.6
95.08596	1.9
98.22734	1.1
98.98467	100.0
105.07000	1.7
107.08559	1.4
109.10147	3.8
114.94691	0.7
116.99503	2.6
119.08587	1.7
121.10146	1.3
129.01840	0.9
132.58554	0.9
140.01054	1.0
145.10088	0.8
172.13289	0.9
173.11716	2.6
174.99211	8.9
176.98932	3.8
252.99770	1.0
302.46704	0.7
328.19183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	25.0
59.04959	3.5
60.04524	4.1
60.94184	3.3
61.02935	5.7
69.03433	63.2
69.12547	27.6
70.06582	14.0
70.32910	3.2
71.04974	3.6
72.08158	5.5
73.02913	22.3
75.04503	4.1
75.78456	3.6
81.03431	5.3
84.04500	3.5
84.08152	4.6
85.02426	4.5
85.02905	62.3
86.09690	4.9
87.04469	49.2
87.12822	2.9
97.02892	61.9
98.22636	7.0
98.98472	100.0
103.03940	3.7
108.08090	5.1
109.02936	2.9
110.07188	3.8
115.03941	70.6
127.03916	10.1
133.04976	91.4
145.04965	14.6
150.05519	7.2
150.07603	15.2
152.07054	5.1
163.06013	7.5
168.06648	4.5
174.99217	6.3
198.08698	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	330.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
57.03445	15.9
59.05009	2.9
60.04531	3.0
61.02922	6.0
69.03430	37.5
70.06589	5.0
71.05007	2.6
71.31123	1.7
72.08133	2.1
73.02920	31.6
81.03413	1.7
84.08115	1.5
85.02904	48.8
85.82074	1.5
86.09732	2.0
87.04472	27.6
91.03948	1.8
97.02895	38.3
98.98468	100.0
99.04449	1.3
100.98940	1.7
108.08127	6.1
109.02930	3.1
115.03930	47.8
116.07153	1.5
116.99542	1.8
127.03926	12.4
133.04962	60.4
134.05257	2.0
136.37166	1.5
145.04953	16.3
150.05542	2.9
150.07646	6.5
152.07106	5.0
163.06023	11.6
174.99248	4.3
176.98921	8.2
180.08673	2.1
198.09923	2.1
205.07161	1.7
213.47498	1.4
223.06012	1.9
236.05655	1.7
241.07133	2.9
259.08099	5.5
290.30542	1.5
295.10306	4.7
312.04663	1.4
314.12341	6.1
330.05847	8.1
330.11853	2.1
331.12347	4.1
331.20914	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	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42628	0.4
55.05512	8.0
56.19098	0.6
57.03438	0.6
57.05824	0.8
67.05512	0.8
69.07071	1.6
71.05013	0.6
72.08155	100.0
73.08502	1.2
79.05502	1.1
81.07066	0.8
83.04977	2.1
84.08164	0.6
85.02917	0.6
86.06075	0.8
86.09708	18.3
86.10232	1.2
91.05476	1.5
95.04954	0.5
97.06545	0.8
98.98466	13.2
99.86938	0.5
100.07594	0.8
105.07057	0.7
118.08665	0.6
119.04967	1.0
125.06018	1.1
131.04942	0.6
132.06543	1.3
132.10213	2.0
137.05972	3.6
142.06354	0.5
147.04514	0.8
149.05957	1.0
151.07576	3.6
161.06032	1.5
163.03876	0.6
163.07437	1.1
164.26373	0.5
167.08434	0.6
167.74086	0.5
171.14922	32.7
176.98950	0.7
185.16504	11.7
189.09126	1.4
195.02879	0.6
195.08035	1.0
195.23386	0.6
198.11314	1.3
199.14423	13.5
211.07687	0.6
213.15997	3.6
216.12328	1.2
217.15517	1.6
225.09187	0.5
227.10727	1.4
230.00824	0.5
231.16989	3.9
233.47191	0.4
238.19994	0.5
239.06969	0.7
253.08563	1.1
253.12553	0.6
255.10156	0.8
269.07980	0.7
284.10022	0.6
285.11337	0.8
287.12836	1.7
298.11584	0.6
313.14450	0.7
331.11923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.1
53.95146	2.4
55.01872	6.8
55.05515	50.4
56.05030	2.3
57.03438	7.3
57.07075	3.4
59.04995	4.1
65.03965	2.9
66.19824	2.1
67.05507	83.3
69.03433	6.7
69.07068	28.9
69.67610	5.6
69.68013	8.6
71.04999	6.5
71.08625	26.6
71.42047	2.4
71.66589	2.3
72.08161	22.5
73.08488	3.1
79.05495	43.5
80.05836	2.6
81.06578	5.2
81.07061	100.0
82.07397	2.6
83.04996	9.2
83.08622	47.8
85.06532	5.9
85.10207	2.3
91.05491	28.5
92.05831	2.8
93.07052	54.6
95.04974	8.2
95.08610	34.6
97.06532	11.3
97.07085	2.4
97.10168	26.0
98.98476	41.9
99.08091	22.3
105.07035	15.5
107.08600	38.9
109.06538	2.9
109.10160	36.3
111.08087	13.8
117.07024	8.3
119.08614	15.3
121.10170	18.5
123.08089	3.9
123.11721	8.4
125.09653	16.4
131.08574	10.6
133.10149	21.8
135.08063	4.5
135.11696	18.3
139.11205	2.9
145.10150	3.3
147.11737	9.8
149.13261	52.6
151.11168	12.4
155.10696	9.1
157.10117	5.5
159.11674	22.6
161.13297	5.6
163.11224	5.4
165.12770	10.8
165.52722	2.9
173.11751	35.8
177.12775	18.0
179.14352	4.8
189.11241	20.0
195.13808	89.7
196.14178	4.4
210.54501	2.4
212.16550	2.5
213.14882	31.0
259.20605	6.7
277.21643	42.7
278.22021	2.6
295.22729	19.2
330.26425	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.7
57.03418	2.8
57.07080	4.6
67.05505	10.1
69.06725	5.6
69.07115	17.5
70.06595	4.0
71.05003	2.4
71.08640	3.1
72.08174	3.7
76.61127	2.0
79.05487	5.6
81.07072	12.5
83.08614	4.9
86.28799	2.3
87.04477	16.7
88.07647	6.4
91.05462	7.7
93.07045	7.6
95.08621	6.5
98.98472	100.0
99.08130	2.7
101.06058	4.8
105.07070	5.7
107.08626	5.0
109.10165	8.8
116.99527	3.1
117.07027	2.7
119.08604	8.3
121.10125	3.6
123.11687	2.4
131.08604	4.1
135.11691	2.3
136.11996	2.2
173.11755	13.2
176.98973	6.7
222.43810	2.3
224.33487	2.8
256.26379	2.3
270.27844	6.2
330.21341	3.5
330.25293	3.8
330.29987	21.8
330.33676	13.2
331.22534	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.2
57.03439	7.0
57.07077	10.1
58.06602	3.1
67.05515	12.8
68.17976	2.3
69.07072	8.2
70.06605	9.2
71.05019	3.1
71.08640	7.2
72.08147	4.9
72.08836	1.8
79.05505	7.8
81.07057	12.9
83.04977	2.5
83.08626	9.2
87.04469	34.3
88.07633	20.9
91.05497	5.6
93.07070	10.3
95.04938	3.5
95.08621	7.3
96.36736	2.0
97.10156	12.5
98.98466	100.0
99.08106	2.6
100.07644	2.7
100.98893	1.9
101.06020	36.0
102.09187	5.3
105.07041	6.7
107.08569	10.9
109.06518	2.3
109.10172	8.2
111.08118	2.6
116.99523	3.3
119.08571	8.0
121.06527	2.1
121.10146	3.7
123.08065	1.9
125.09634	12.6
133.10127	3.9
135.11647	2.4
137.09634	3.6
145.10081	2.9
147.11781	2.1
149.13338	2.2
151.11133	3.1
159.11627	2.3
161.13292	3.2
166.99356	1.9
173.11806	4.3
176.98886	4.2
183.11745	2.3
189.11250	22.6
189.12849	3.1
256.26398	12.1
268.30069	5.6
270.27994	8.1
277.21631	9.7
330.21408	2.7
330.30032	64.9
330.33707	17.2
331.18903	6.4
331.22568	4.0
331.30499	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.2
55.05512	37.5
56.05029	8.7
57.03446	12.0
57.07065	12.9
66.90208	7.1
67.05506	93.9
69.03428	14.0
69.07066	34.3
69.87663	28.1
71.08630	10.1
79.05502	48.3
81.07062	67.3
83.04959	8.9
83.08627	19.2
87.04465	19.6
91.05490	24.5
93.07043	39.8
95.04961	9.4
95.08607	49.2
97.06547	16.3
97.10176	13.4
98.98467	100.0
100.07980	7.5
101.06074	9.9
105.07063	11.6
107.08591	21.7
109.10177	47.4
111.08114	13.4
119.08573	14.3
121.10143	14.5
123.11697	9.1
125.09650	9.8
133.10141	10.1
137.09581	9.8
139.11250	14.0
147.11697	9.5
149.13248	14.8
154.12245	14.5
155.10678	19.2
172.13307	27.5
173.11755	49.8
220.38924	10.1
234.41125	7.5
244.79774	7.6
277.21606	34.4
295.22726	13.1
330.29987	29.7
330.33646	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46223	1.6
55.01873	4.7
55.05515	47.9
56.05869	1.6
56.65487	1.8
56.96569	2.2
57.07076	5.4
58.68836	1.7
67.05505	21.7
69.03433	5.2
69.07054	11.0
69.37143	1.6
70.06586	3.5
70.61127	4.3
71.08639	13.4
79.05506	12.9
80.20337	1.7
81.03411	3.0
81.07052	17.6
83.04983	2.6
83.08617	31.5
85.06548	3.2
87.04455	7.1
88.07633	4.9
91.05484	7.7
93.07037	8.2
95.04961	2.9
95.08611	7.9
97.02864	2.2
97.06567	2.1
97.10171	59.4
97.70066	2.2
98.98471	100.0
99.08092	7.2
100.98907	1.6
104.33842	1.6
105.07037	5.1
107.08582	19.4
109.10186	4.7
110.73814	1.7
111.08102	2.4
115.05444	1.9
116.99522	3.6
119.08580	4.4
121.10106	3.1
125.09636	51.0
126.10036	2.0
128.01625	1.9
129.07011	2.8
133.10117	4.0
135.08061	5.3
135.11714	3.1
143.10667	3.7
149.08475	1.9
151.11234	5.5
153.09134	2.4
155.17564	1.6
157.10196	2.5
161.13304	5.0
163.11278	2.3
171.10159	3.9
174.93968	1.9
174.99289	3.3
175.14645	2.1
176.98947	5.0
179.14311	2.6
185.13217	2.4
189.11212	87.1
190.11542	2.4
196.01535	1.7
199.55481	1.7
200.20090	2.2
218.21201	4.2
259.20660	2.5
277.21637	40.1
278.22073	2.1
295.22644	4.5
314.81628	2.0
330.29950	6.7
330.33679	18.1
331.18723	2.3
331.63559	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05502	0.2
57.07080	9.1
58.06608	0.8
58.07405	0.2
60.04522	0.3
62.06071	0.5
68.05025	0.3
69.05236	1.3
69.07072	0.2
70.06594	14.8
71.08636	3.1
73.04507	0.1
74.06078	0.7
85.10181	1.4
86.06053	0.3
88.07633	18.3
89.07942	0.2
98.98452	1.0
102.09183	4.9
102.09869	0.3
105.33343	0.2
106.08665	9.4
146.76691	0.2
181.02330	0.1
226.92552	0.2
268.30002	0.4
286.31107	0.8
312.32596	6.8
313.32870	0.5
330.33652	100.0
331.33981	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	331.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.5
57.03440	7.5
60.04524	5.1
61.02922	6.3
67.05486	4.7
68.09352	2.4
69.03435	24.9
69.08308	5.3
69.08714	16.6
70.06586	11.5
72.08149	10.9
73.02914	7.4
81.03402	4.4
84.08147	15.1
85.02905	39.3
86.09699	18.5
87.04480	5.8
97.02902	16.6
98.97591	7.3
98.98462	8.2
101.00858	6.6
104.10748	11.2
105.15461	2.4
106.06565	6.8
108.08122	100.0
109.02879	4.7
116.07111	3.6
119.01917	4.6
123.06839	3.5
124.07607	20.4
127.03919	13.4
128.19351	3.0
129.10234	13.3
131.01939	2.8
134.06041	13.8
136.07576	16.9
143.01929	5.7
145.04938	5.6
147.07642	3.6
147.11282	4.4
149.87369	2.9
152.07071	86.2
155.01892	5.7
157.03519	4.4
157.13367	5.9
160.04774	2.7
161.02942	4.9
161.05586	6.4
169.04283	2.9
170.06189	3.4
170.08130	10.9
170.99733	3.0
203.03954	5.6
219.01785	3.2
219.07297	3.0
220.57837	3.2
221.05049	5.4
235.70654	2.6
245.05031	3.9
259.06754	4.4
279.04266	3.1
279.72797	2.6
314.12344	34.3
319.08688	6.4
321.10342	7.5
331.07782	60.5
331.13629	7.5
331.20520	4.5
331.23947	3.9
332.07401	7.4
332.13568	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	331.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73284	1.5
54.25638	1.5
55.93587	1.4
56.96569	7.2
65.11913	1.4
68.12433	1.7
69.88140	5.3
70.06599	2.6
72.08148	1.5
84.04515	1.7
84.08156	9.9
85.02930	1.9
86.09724	10.2
98.97585	12.5
98.98476	43.1
108.08129	7.4
110.97572	3.3
116.98640	4.2
119.19115	1.6
129.10255	9.1
130.93332	3.6
140.62163	1.6
150.01422	1.6
152.07103	5.8
152.19452	1.5
172.94402	10.1
176.98906	2.4
187.02643	1.8
187.88182	1.6
190.95445	7.5
205.03801	1.9
208.23848	1.6
216.96938	4.1
219.01723	3.7
227.07089	2.6
229.16136	1.6
233.94925	1.7
234.98102	2.6
237.02776	3.2
245.08160	4.7
246.94310	2.2
259.08221	1.6
260.95737	2.8
262.97391	1.7
264.95493	3.4
273.09491	5.3
288.95490	3.0
306.96356	10.6
313.97601	1.8
314.12494	4.7
331.07886	40.2
331.13675	100.0
332.08490	2.1
332.13599	9.5
349.08203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72210	1.1
53.03940	1.4
55.01866	2.0
55.05529	1.2
57.03435	1.6
57.22258	1.1
58.10828	0.9
58.79518	1.0
65.03944	1.9
67.05513	1.8
69.03448	1.1
69.07056	1.0
70.25775	1.7
70.26153	2.1
72.08163	2.0
72.22801	1.0
73.50414	1.0
79.05492	4.4
80.29545	1.0
81.03414	1.7
81.07059	3.5
83.04978	2.2
85.02940	1.9
86.09679	1.5
91.05482	36.0
93.07034	1.5
94.04182	5.2
95.04971	8.4
95.08599	1.8
97.02891	2.4
98.98463	20.4
99.04466	3.0
103.05467	5.7
105.07045	5.2
107.04949	8.3
107.08549	1.3
107.56111	1.0
109.02871	1.9
109.06538	5.4
115.05463	2.8
117.07050	1.8
119.04950	20.5
119.08630	1.0
121.02896	1.1
121.06489	8.1
121.10185	1.2
122.03652	9.7
123.04415	2.1
123.08103	2.5
128.06213	5.7
129.06999	18.0
131.04921	7.7
131.08510	1.8
133.06488	3.0
135.04382	1.1
135.08049	6.9
136.05219	4.5
137.05980	84.9
138.06325	2.8
141.06947	1.7
142.11351	1.0
145.06485	4.8
146.03625	1.7
147.04391	2.0
147.08093	1.6
149.05984	15.4
150.06703	1.7
151.03891	2.9
151.07542	100.0
152.06209	3.5
152.07916	3.1
153.06934	2.1
155.06073	1.3
157.06496	15.3
158.07219	2.0
159.08041	1.1
161.05978	15.8
161.09602	3.9
162.06685	1.9
163.03908	2.0
163.07549	21.0
165.05643	2.0
165.06979	13.3
165.09131	4.6
166.07742	3.5
167.08565	16.9
168.08960	1.1
169.06447	1.4
173.05956	1.1
174.06750	7.9
175.07565	4.6
176.98866	1.6
177.07014	2.1
177.09129	2.9
178.07796	7.6
179.08527	2.3
181.06451	6.5
181.10036	1.9
182.07217	4.1
183.07979	1.6
184.08932	1.1
189.09106	32.9
190.09567	1.2
192.09319	3.0
193.06490	8.2
193.08089	1.0
193.08473	1.0
193.10138	7.0
194.07262	2.9
195.08041	26.4
195.09709	2.0
196.05220	1.1
196.08653	2.8
197.05927	6.6
197.09628	1.5
199.07527	1.7
202.07845	1.5
203.08492	2.1
206.07278	2.5
207.08241	1.8
207.10173	5.4
209.05995	3.4
209.09703	3.3
210.06726	10.6
210.10341	1.6
211.07509	3.6
212.08322	5.6
213.08951	1.2
219.08099	2.3
220.08813	2.3
221.05984	9.3
221.09593	11.3
222.06732	1.7
223.07526	12.0
224.08244	4.3
225.05603	2.4
225.09099	12.7
226.09660	1.4
227.07054	3.2
227.10660	28.9
228.11055	2.5
234.06744	3.0
237.05423	1.5
237.09155	4.2
238.06281	6.2
238.09917	1.5
239.07039	3.5
239.10606	2.1
240.07796	5.4
241.08470	2.6
241.12300	1.4
249.09132	6.1
252.07875	3.1
253.08624	17.6
253.12228	15.1
254.09378	1.6
255.06407	1.6
255.10165	27.8
256.10712	1.4
267.10199	5.4
269.08109	5.3
269.11673	2.0
270.08853	1.8
272.10394	3.9
281.11697	6.4
284.10446	2.1
285.11212	18.2
286.11258	1.2
287.12790	42.9
288.13095	2.0
298.11923	1.5
313.14398	10.3
331.09692	1.6
331.11938	1.5
331.15512	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	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	2.7
55.05512	1.3
65.03928	1.6
67.05540	1.0
69.03437	1.9
69.07062	1.3
70.35542	3.3
72.08160	5.8
73.08468	1.8
79.05500	4.4
79.60250	0.9
81.03450	1.5
81.07049	3.7
83.04974	1.7
84.08136	1.7
84.11183	1.0
85.02895	1.1
86.09711	2.9
91.05482	33.5
92.05801	1.0
93.07067	1.6
94.04189	2.3
94.06566	1.2
95.04964	8.2
98.98470	16.8
101.27647	1.0
103.05450	6.1
105.04570	1.1
105.07046	5.6
107.04957	9.3
109.06525	4.9
110.09656	0.9
111.04473	2.0
115.05437	2.7
117.03395	0.9
117.07034	1.9
119.04939	21.3
119.05761	1.6
120.08109	2.0
121.06530	8.9
122.03651	8.7
122.06033	1.4
123.08089	1.4
125.05984	1.5
128.06207	4.9
129.06999	16.3
131.04919	6.5
131.08595	1.5
133.02936	1.0
133.06461	3.2
135.04428	1.7
135.08040	8.0
136.05211	3.7
136.07529	1.4
137.05975	85.6
138.06325	3.3
145.06483	4.5
146.03632	2.5
147.04407	1.3
147.07980	1.4
148.05066	1.3
149.05965	13.9
150.06763	2.1
151.03915	3.9
151.07542	100.0
152.06218	4.4
152.07925	3.4
153.07028	1.2
154.08681	1.1
157.06482	13.3
161.05966	17.1
161.09622	4.1
163.03928	3.1
163.07545	28.8
165.05643	1.9
165.06987	14.2
165.09079	6.1
166.07747	3.0
167.07175	1.2
167.08548	18.4
168.05730	1.1
169.06480	2.8
174.06796	6.0
174.48817	1.3
175.07588	5.4
176.08325	1.1
176.98959	1.2
177.07043	2.7
177.09122	4.3
178.04990	3.9
178.07797	8.4
179.07079	1.2
179.08531	2.3
181.06468	6.4
181.10075	2.0
182.07242	4.6
183.08110	1.4
184.08867	1.8
189.09109	39.0
190.09502	3.2
191.08549	1.6
192.09410	2.2
193.06534	8.0
193.08630	1.4
193.10120	10.0
194.07211	3.4
194.90359	1.0
195.08060	27.1
196.05153	1.1
196.08708	3.2
197.05939	6.2
197.09479	1.1
199.07573	1.4
199.11205	1.3
202.07779	2.2
203.08563	2.8
205.06494	2.0
206.07207	1.6
207.08109	2.7
207.10161	5.9
209.05951	4.0
209.09628	4.3
210.06776	10.1
211.07552	4.8
212.08214	4.9
213.09108	1.4
219.08192	1.0
220.08765	1.3
221.06035	10.2
221.09540	11.2
223.07538	14.5
224.08275	4.7
225.05443	2.5
225.09067	10.8
227.07120	2.4
227.10669	30.2
228.11089	2.4
234.06789	1.4
237.09102	3.6
238.06223	6.7
238.09895	1.3
239.07120	3.7
239.10611	2.1
240.07813	4.1
241.08543	1.7
241.12209	2.1
249.09041	6.3
252.07802	1.5
253.08627	16.9
253.12253	15.0
254.09303	1.3
254.12567	1.5
255.06477	1.6
255.07111	1.8
255.10162	32.1
256.10568	1.1
257.08105	1.0
266.09402	1.8
267.10175	6.5
269.08124	4.3
269.11603	2.6
270.08939	1.4
271.09561	0.9
271.13327	1.2
272.10431	4.6
281.11691	8.0
284.10397	1.6
285.11206	23.1
286.11594	1.4
287.12769	41.6
288.13242	2.5
298.12119	2.1
299.12872	2.0
301.14407	2.8
313.11328	1.0
313.14389	13.1
314.14792	1.5
331.12042	2.4
331.15417	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
60.04522	3.2
61.29984	1.1
65.03957	2.2
67.05512	1.3
69.03442	1.6
70.06594	2.1
71.30857	1.5
72.08163	1.4
75.02193	1.2
79.05507	4.7
81.07076	2.8
84.08146	2.6
86.09716	15.0
87.05632	1.8
89.03942	1.9
91.05482	29.5
92.05894	1.2
93.07069	1.4
94.04218	3.8
94.42857	1.1
95.04975	7.0
98.98468	58.6
100.98920	1.2
102.59950	1.4
103.05502	5.1
105.07021	5.7
107.04965	8.8
109.02892	1.3
109.06567	5.1
115.05497	3.0
117.03373	2.5
117.07050	2.3
119.04951	19.6
119.05740	1.3
119.63551	1.4
121.06542	8.1
122.03678	9.8
123.08064	1.2
128.06247	6.5
128.10735	3.0
128.86400	1.1
129.07005	15.1
129.10245	2.3
131.04974	5.4
131.08578	2.6
133.02876	1.6
133.06482	2.0
135.04451	3.2
135.08057	6.3
136.05258	4.9
137.05980	87.4
138.06410	1.5
141.05533	1.4
141.07011	1.8
143.04926	1.6
143.08522	1.2
145.02849	2.1
145.06520	5.4
147.04480	2.6
148.05231	2.3
149.05991	18.0
150.06735	1.3
151.03976	4.1
151.07545	100.0
152.06276	3.4
152.07957	2.3
153.07018	2.4
154.07759	1.5
155.08620	1.1
157.06493	13.0
159.07986	1.6
161.05977	20.7
161.07199	1.8
161.09653	4.7
163.03909	10.7
163.07545	23.1
165.06995	14.1
165.09155	5.1
166.07857	2.9
167.07158	2.7
167.08549	14.6
169.05093	1.9
169.06468	2.7
169.08560	1.5
173.12857	14.3
174.06801	7.1
174.99298	2.6
175.07587	4.5
176.08319	1.6
176.98946	2.9
177.05562	2.9
177.06915	2.3
177.09166	2.5
178.07776	7.5
179.07056	1.9
179.08591	2.8
181.06503	6.1
181.10182	1.5
182.07288	4.4
183.08049	2.0
185.04280	2.5
185.05927	1.5
189.09117	36.0
190.09558	1.4
191.08626	1.7
192.09433	2.3
193.06519	10.7
193.08612	1.8
193.10136	9.6
194.07239	2.5
195.08073	24.3
196.05272	1.5
196.08658	2.3
197.05966	5.6
198.06821	1.7
199.07498	2.0
201.12408	3.2
202.07825	2.2
203.08580	4.4
207.08278	2.2
207.10254	7.2
209.06026	2.5
209.09648	3.8
210.06741	9.3
211.07578	5.1
212.08282	6.2
219.08173	2.0
220.08873	2.6
221.06076	10.4
221.09583	14.5
222.06749	1.3
223.07549	12.8
224.08372	5.4
225.05571	3.7
225.09087	8.7
227.07079	4.3
227.10667	29.6
227.12845	2.2
234.06818	3.2
235.07568	1.9
237.05521	1.6
237.09140	3.1
238.06284	4.9
238.09898	3.0
239.07066	4.4
239.10632	2.0
240.07846	4.1
241.08676	2.3
241.12280	3.0
243.10492	1.5
249.09164	5.9
251.07173	1.7
252.07962	3.3
253.08592	17.7
253.12248	13.6
255.06473	2.5
255.10168	35.0
256.07468	1.9
256.10510	2.2
257.08136	1.9
267.10080	6.6
269.08121	4.0
269.11771	2.5
270.08939	2.3
271.09802	2.8
272.10446	3.5
281.11630	6.2
282.11853	1.5
284.10416	2.6
285.11224	20.4
286.11661	2.1
287.12781	38.2
288.13068	3.2
299.09198	2.4
299.12756	2.4
301.14343	1.9
313.14392	13.6
313.17908	1.9
331.11993	6.8
331.14233	5.0
332.11957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
53.03943	3.0
53.46794	1.8
55.05509	4.4
57.03424	2.5
60.36254	1.8
65.03961	2.1
67.05483	4.7
68.99807	2.0
69.03430	5.4
69.07066	2.5
69.33135	1.7
71.04995	1.9
76.41581	1.8
79.05500	7.2
81.03412	2.7
81.07063	10.2
83.04986	11.9
85.02908	2.2
91.05482	38.5
93.07056	4.1
94.04174	1.8
95.04961	8.9
95.08610	4.7
98.98468	63.2
103.05456	6.0
104.07012	1.8
105.07037	9.2
107.04949	10.1
107.08586	4.7
109.06512	7.8
109.10145	2.6
111.04406	2.2
111.08076	2.2
115.05464	4.5
117.07011	3.3
119.04951	22.8
119.08591	3.2
121.06503	9.6
121.10150	4.1
122.03654	12.1
123.04467	2.2
128.06215	7.9
129.07007	21.3
131.04926	10.6
131.08563	3.3
133.06601	2.9
133.10051	3.1
135.08057	5.5
135.11667	3.2
136.05202	6.5
137.05978	91.4
141.06900	2.7
143.04918	2.9
145.06459	4.7
145.10110	4.2
146.03601	2.3
147.04401	2.9
149.05971	14.9
151.03912	2.7
151.07538	100.0
152.06212	6.3
152.07817	3.1
153.06905	5.8
155.08578	4.0
157.06496	15.1
160.05156	2.0
161.05994	17.0
161.09555	4.6
163.07545	22.6
165.06992	25.2
165.09135	4.6
166.07588	3.6
167.07155	2.9
167.08560	20.0
168.05743	2.5
169.06474	5.1
169.10146	2.2
173.13307	2.0
174.06784	7.3
174.99280	3.0
175.07562	4.0
176.98885	2.2
177.09026	3.0
178.07782	8.7
179.08472	4.3
181.06456	8.7
182.07242	7.1
183.08073	5.8
189.09125	35.9
190.09541	2.3
193.06471	8.5
193.10152	8.6
194.07259	5.6
195.08047	28.7
196.08630	2.2
197.05991	8.1
197.09644	3.4
199.07541	2.9
202.07825	2.6
203.08601	2.8
206.07176	3.0
207.08240	3.5
207.10191	5.6
209.05942	7.3
209.09528	4.4
210.06747	11.9
211.07523	8.1
212.08322	6.3
213.05415	2.9
221.06026	11.2
221.09619	12.1
222.06807	2.4
222.10117	2.3
223.07574	16.1
224.08365	5.3
225.05435	3.5
225.09032	11.5
227.07013	6.4
227.10664	37.7
230.05783	2.4
234.06696	2.4
237.05536	2.3
237.09183	3.3
238.06248	8.7
239.07008	2.5
240.07715	5.8
241.08414	2.4
249.09079	6.4
252.07690	2.7
253.08614	17.9
253.12198	17.5
255.06580	2.2
255.07083	2.5
255.10161	34.9
256.07117	2.7
256.10269	2.2
267.10165	5.4
269.08096	5.6
269.12009	2.2
271.09665	3.9
272.10376	4.2
281.11749	4.6
285.11288	18.7
287.12772	42.1
288.13010	2.5
299.09259	3.5
313.14243	7.8
313.17712	2.9
316.08975	2.0
331.11798	36.0
331.15335	3.6
331.22757	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	331.1881
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05507	0.9
58.82716	0.7
67.05497	2.3
69.07061	0.8
71.22184	0.9
81.07041	1.0
91.05490	1.5
93.07027	1.8
95.04930	0.8
95.08616	2.4
98.98470	44.7
103.74857	0.8
105.07013	1.7
106.42373	0.7
107.08590	1.3
109.10165	1.2
116.99497	1.6
121.06486	0.8
121.10171	0.8
131.08542	1.3
133.10152	1.2
135.08125	0.9
135.11703	0.8
145.10110	2.2
157.10167	1.2
174.99248	1.7
175.01524	0.9
176.98935	2.5
177.38588	0.7
179.08585	0.7
257.12787	1.8
331.18820	100.0
332.19131	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.97569	1.6
52.21595	1.3
52.52654	1.7
55.05512	10.0
55.80436	1.4
56.20324	1.6
57.03434	5.3
57.07080	100.0
58.07409	1.8
60.51490	1.6
67.05505	25.0
69.07081	13.7
70.06596	3.1
71.08637	63.0
75.04485	4.6
79.05509	1.7
81.07061	33.9
83.08622	22.6
85.06532	1.9
85.10191	33.6
88.07636	5.6
89.06035	1.9
93.07081	2.2
95.08610	46.8
97.10186	12.1
98.23348	3.5
98.98467	9.8
99.11740	2.4
102.09225	1.6
106.08680	2.7
109.10155	25.5
111.11742	4.0
119.08605	1.8
121.10262	1.9
123.11726	11.3
125.13251	1.9
126.85017	1.4
137.13298	3.1
165.16319	1.6
176.99072	1.5
221.22690	2.1
239.23735	14.8
257.24759	5.8
313.27402	48.7
313.31238	2.3
313.32788	2.8
314.27710	4.0
331.34030	47.2
332.34399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28526	1.6
55.05521	11.7
57.03440	8.2
57.07082	100.0
58.07422	2.0
67.05515	24.6
69.07072	14.3
69.15823	12.4
70.06586	6.4
71.06924	2.2
71.08640	66.9
71.74128	1.6
74.88293	1.7
75.04504	2.0
79.05493	2.0
81.07066	28.0
82.20004	1.5
83.08631	23.6
85.10188	33.8
88.07642	7.2
89.06010	1.8
89.07881	2.3
91.05499	8.1
95.08043	3.6
95.08618	48.4
97.10197	10.8
98.23376	3.7
98.98478	25.1
99.11777	2.5
102.09201	2.5
103.07571	1.9
106.08694	5.5
109.10171	23.6
111.11684	3.4
123.11690	9.0
125.13253	3.1
137.13255	4.8
239.23740	12.8
257.24719	5.9
302.32330	1.7
303.01648	1.9
313.27411	49.7
313.33044	5.8
314.27701	3.5
331.30081	3.1
331.34030	62.7
332.33276	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.97326	1.0
55.05512	15.0
57.03442	7.4
57.07079	100.0
67.05180	1.9
67.05509	26.2
69.02567	10.7
69.06732	1.4
69.07074	16.9
70.06586	2.1
71.00273	1.0
71.08633	70.7
75.04474	3.8
77.04403	1.2
79.05483	4.0
81.07063	38.5
83.05009	1.5
83.08623	23.5
85.06528	1.9
85.10188	36.9
86.10547	1.2
87.79350	1.3
88.07637	2.9
89.06039	1.9
91.05479	3.1
93.07030	3.8
95.08609	57.3
97.06578	1.1
97.10184	11.0
98.23355	3.0
98.98473	17.8
99.08119	1.2
99.11761	2.5
103.07587	1.7
105.07033	3.4
106.08660	2.7
107.08572	2.8
109.09454	1.5
109.10164	24.1
109.10905	1.7
111.11700	2.9
119.08583	4.4
121.10148	3.5
123.11724	10.5
125.13269	3.7
131.08492	1.3
133.10168	2.0
135.11667	2.7
137.13222	5.6
139.14810	1.4
145.10138	2.1
147.11755	1.7
151.14793	2.2
159.11757	1.8
160.68922	1.2
161.13226	1.2
165.16376	1.7
171.11707	1.4
176.18221	1.2
176.98949	1.3
177.16270	1.2
197.13495	1.2
221.22661	2.7
223.48897	1.4
229.29297	1.2
239.23683	17.0
257.24817	6.4
285.22403	1.1
313.27393	44.7
314.27853	4.2
331.19214	1.5
331.22717	3.9
331.26324	2.7
331.33987	19.1
346.85229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02222	1.2
53.03662	1.1
55.05515	16.3
57.03442	7.4
57.07080	100.0
58.07410	2.8
63.59948	1.2
67.05506	29.7
69.07072	22.0
69.18637	9.6
70.06601	6.8
71.04991	1.5
71.08637	67.9
74.32403	1.2
74.39590	1.2
74.41119	1.3
75.04475	3.2
79.05511	5.7
79.72875	1.2
81.07065	40.1
83.08138	1.8
83.08623	24.6
85.06555	4.6
85.10187	35.8
88.07633	6.7
89.06030	2.0
89.07951	1.7
89.47205	1.0
91.05486	5.0
92.73606	1.2
93.07043	8.2
95.04983	1.7
95.08613	63.4
97.10187	12.6
98.23318	2.2
98.98470	25.1
99.11724	3.4
101.06060	2.9
105.07037	6.1
106.08680	3.6
107.08589	9.5
109.06525	1.6
109.10169	30.2
111.08085	1.2
111.11733	3.6
113.13274	1.9
119.08565	7.5
120.62051	1.1
121.10175	8.5
123.11700	13.4
125.13233	2.9
127.07499	1.2
131.08577	2.4
133.10167	4.5
135.08090	1.7
135.11722	7.7
137.05994	1.1
137.13264	6.2
145.10175	2.6
147.11719	3.4
148.11563	1.1
149.13277	3.4
151.14772	2.1
159.11763	2.7
161.13258	3.5
163.14807	2.1
163.21049	1.2
171.11583	1.2
175.14906	3.1
176.98901	1.9
177.75053	1.3
187.14919	1.6
189.16403	2.8
191.17943	6.2
203.18114	1.3
217.19452	1.6
221.22766	2.2
235.17104	1.4
239.23724	15.8
257.24719	6.4
261.18546	2.1
298.27045	1.2
313.27423	52.1
313.33115	2.4
314.27887	3.5
331.19202	2.2
331.22757	3.7
331.26300	11.6
331.34012	50.7
332.26468	2.2
332.34232	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.134
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.48026	0.4
53.03938	1.2
55.05507	0.4
55.41932	0.4
56.96564	2.7
57.03438	2.2
60.95823	0.3
61.02923	2.8
65.03924	0.8
67.05491	2.4
67.12946	0.3
67.34110	0.4
69.03430	8.0
69.07050	0.4
70.21645	0.8
70.22003	0.8
71.04971	1.1
73.02914	2.6
75.94578	0.4
77.97707	0.4
79.05477	1.7
81.03411	2.0
81.04528	0.8
81.07069	0.7
84.08108	1.0
84.96006	0.4
85.02428	0.8
85.02903	9.3
86.09695	0.7
87.04471	1.3
91.03961	0.6
93.05788	0.9
96.08117	1.1
97.02892	4.8
98.97588	4.9
99.04438	0.9
101.02355	0.6
104.10715	1.3
106.06552	4.8
108.08115	100.0
109.02864	1.4
109.08435	2.0
110.97565	1.3
112.99161	0.6
116.98624	1.2
118.06537	0.4
119.01915	0.5
123.06809	5.0
124.07594	17.6
124.95422	0.4
125.07935	0.4
126.84992	0.4
127.03939	2.1
128.98613	0.5
134.06021	11.4
134.99776	0.4
136.07579	14.0
137.08344	0.5
143.01874	1.0
145.04982	0.9
152.07065	68.3
153.07402	1.5
154.08624	1.8
158.99692	0.9
161.02933	1.0
170.05179	1.3
170.08112	9.7
170.09320	0.6
170.99712	0.6
172.94376	0.6
176.93633	1.3
194.94722	0.6
206.17743	0.4
213.05191	1.7
218.94728	1.9
218.98445	0.6
219.01889	0.8
228.69348	0.4
236.95750	3.0
236.99352	0.7
242.07375	1.0
250.07080	0.5
251.07594	1.0
254.96823	1.5
266.36200	0.4
314.12329	36.3
315.12653	1.7
321.23566	0.4
332.13397	49.7
333.09723	0.8
333.13702	2.1
347.70081	0.4
350.04321	2.2
350.07742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81955	0.6
57.03439	1.6
61.02913	2.3
65.03954	1.5
67.05492	2.1
69.03439	5.7
70.06594	1.3
71.04978	0.6
71.29801	0.7
72.08144	2.8
73.02917	1.1
78.31991	0.5
79.05493	1.4
81.03418	1.3
81.07034	1.2
84.04485	0.7
84.08148	1.0
85.02906	6.2
86.09712	4.0
87.04441	1.8
92.05007	0.7
93.05785	1.0
97.02894	3.8
97.94161	0.5
99.04481	0.6
104.10746	4.9
106.06543	4.2
108.08118	100.0
109.02859	1.3
109.08451	1.8
112.31985	0.6
116.07088	0.6
123.06796	4.2
124.07594	15.1
127.03936	1.1
129.10303	0.8
130.08603	0.7
134.06010	12.7
134.06953	1.0
135.06264	0.6
136.07573	13.2
147.11330	0.7
148.06055	0.8
152.07068	68.2
153.07413	2.0
154.08620	1.9
157.13451	0.8
170.08124	9.0
170.09477	1.0
214.10739	0.7
280.89023	0.6
314.12323	36.6
315.12747	2.4
332.13391	47.6
333.13791	1.8
335.88782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22974	0.5
53.03951	0.5
57.03428	1.6
58.88555	0.5
61.02925	1.7
65.03932	0.6
67.05512	2.5
69.03432	6.1
71.04984	0.5
71.36435	0.4
71.36769	0.6
72.08156	1.5
73.02915	1.3
79.05499	1.4
81.03423	1.8
81.07063	0.8
84.08148	1.8
85.02910	6.3
86.09702	1.3
87.04470	1.5
96.08139	0.7
97.02888	2.8
98.97607	1.2
98.98462	0.8
99.04458	0.8
104.10738	1.3
106.06551	4.2
108.08123	100.0
109.02894	0.8
109.08495	2.5
123.06800	3.8
124.07595	15.1
127.03941	1.4
129.10234	1.9
134.05028	0.3
134.06020	9.5
136.07588	14.2
137.08403	0.5
150.05501	0.8
152.07077	66.7
153.07414	1.7
154.08673	1.5
170.08131	6.5
171.14966	0.5
218.98486	1.1
236.95760	0.7
236.99352	0.8
254.96916	0.5
275.62982	0.5
314.12344	38.7
315.12558	1.4
325.23343	0.5
332.06879	1.3
332.13419	45.2
333.13464	2.4
350.04163	1.0
350.08249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	5.1
56.96574	2.9
57.03430	6.6
61.02914	10.9
69.03423	19.9
69.07062	2.9
69.42620	11.8
71.04984	3.7
71.21555	2.0
72.08158	10.8
73.02902	3.7
81.03413	9.8
84.04495	3.4
84.08128	4.3
85.02907	100.0
86.09709	41.2
87.04478	2.7
90.35147	1.7
91.03947	8.5
97.02902	28.1
98.97599	5.4
98.98473	9.9
99.04449	4.6
102.05544	5.5
107.04279	2.8
107.04961	35.4
107.05651	1.4
108.08119	5.9
109.02876	7.4
109.48320	1.8
109.73580	1.8
116.98613	4.0
124.07585	3.3
127.03917	21.2
132.10205	4.4
145.04968	42.6
152.07043	9.3
153.05455	12.8
163.06018	7.8
163.53506	1.7
168.06198	2.2
170.08138	6.3
173.05959	2.8
173.09195	2.8
180.08664	9.8
185.16508	4.7
189.04274	2.9
199.18068	5.3
201.08710	2.3
219.06543	3.8
227.17674	2.1
231.05418	2.7
290.94861	2.6
292.93665	1.8
296.11154	1.9
315.06906	3.2
329.77734	2.0
332.13608	13.6
333.07959	17.2
333.14658	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	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
57.07081	1.0
60.04527	22.1
69.03433	1.6
69.07077	0.8
69.32365	1.1
69.32774	2.7
70.02948	1.5
72.04526	1.0
74.43759	0.5
81.03423	1.3
84.08157	0.9
85.02901	1.3
85.06573	0.6
86.09708	88.0
87.05595	16.0
87.10029	1.3
91.05508	1.0
97.02808	0.5
98.98470	4.4
109.02889	1.3
121.06499	0.7
127.03906	1.7
128.10725	9.2
132.10199	5.5
133.06410	0.7
137.05963	1.5
153.05478	2.3
167.07117	0.7
173.12862	100.0
174.13194	2.9
181.08621	0.6
188.03714	1.7
201.12341	21.0
202.12706	0.6
245.18587	2.9
247.86777	0.6
332.12943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
53.03943	0.9
57.07076	0.7
60.04218	1.2
60.04524	19.9
67.97208	0.5
69.03419	2.3
69.07070	0.8
69.33186	2.5
70.02954	1.1
70.06581	0.6
71.04995	0.6
72.04507	1.0
74.79663	0.6
81.03407	1.8
81.86987	0.5
84.08130	0.8
85.02905	1.8
86.09704	80.9
87.00841	0.8
87.05588	12.6
87.10049	1.6
91.05473	0.8
98.98468	3.5
102.09173	0.6
105.42082	0.5
108.08131	0.6
109.02865	1.5
110.09719	0.6
112.11176	0.7
121.06460	1.1
123.04456	0.5
127.03927	3.3
128.10719	10.1
131.48453	0.5
132.10205	5.3
134.82646	0.6
137.05898	1.1
153.05475	1.4
158.18289	0.5
167.07059	0.6
173.12856	100.0
174.13179	3.1
188.03740	1.8
201.12350	26.1
202.12636	1.1
245.18628	2.0
301.10995	0.6
332.13602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Ile Leu Ser
Peak:m/z	Relative Intensity
50.10509	0.3
54.28890	0.4
55.05508	0.8
56.05033	0.7
60.04514	0.6
66.59474	0.3
69.07066	5.0
70.06596	1.1
72.08150	4.3
77.13585	0.3
83.06107	0.3
84.04507	0.7
84.08139	2.6
85.02901	1.2
86.09707	100.0
87.10036	2.0
88.04002	0.5
97.02889	0.4
98.97755	0.5
98.98463	8.4
102.05524	1.1
106.05051	0.6
108.08115	2.1
116.03452	0.5
120.05202	0.4
121.83874	0.4
123.04386	0.5
124.07588	0.4
127.08711	0.5
129.10275	0.8
137.05980	2.4
142.08658	0.8
147.04521	0.4
152.07076	1.4
159.93047	0.3
165.05283	0.3
167.07007	2.0
169.09842	0.4
173.09200	0.8
174.99295	0.3
179.03314	0.3
187.10789	2.7
199.18060	25.4
200.18408	1.1
201.12318	1.7
205.15834	0.3
214.50031	0.4
215.10350	0.8
219.13408	4.5
220.13895	0.5
227.17532	9.0
227.19666	0.7
290.94846	0.7
301.11929	1.0
314.12354	0.7
314.20779	0.9
332.13562	1.6
332.25467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25830	1.1
55.05513	1.6
56.05039	9.9
57.07074	6.4
58.06591	4.9
60.04529	2.9
65.03947	2.1
67.05518	1.4
69.60092	1.9
69.60496	4.8
71.08622	3.6
72.04500	3.5
74.06087	10.0
80.94833	1.5
81.07045	1.3
86.06091	1.2
88.07084	1.9
88.07632	30.6
91.05483	100.0
92.05235	2.4
92.05814	40.9
93.07035	2.0
98.98470	8.8
105.07040	1.4
106.06544	2.6
107.06872	1.8
118.08664	6.6
120.08125	2.2
120.74747	1.2
121.06558	1.3
121.08486	1.4
122.08146	4.8
133.10159	1.4
139.36191	1.1
167.08215	1.1
180.13791	1.8
181.10152	1.7
182.10428	3.7
198.12794	3.5
199.13077	7.2
234.18794	1.1
284.29504	26.3
285.29733	1.9
309.25525	1.4
314.30539	1.6
332.18423	15.7
332.31580	77.6
333.16733	4.1
333.20438	1.3
333.24182	1.3
333.31827	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	333.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51745	7.4
55.05517	11.6
56.96572	14.9
69.03448	9.8
69.90599	8.1
70.06586	24.1
71.31556	12.9
72.08158	14.9
81.07055	8.4
81.31004	8.6
83.06113	10.4
84.04500	35.1
84.08139	34.2
85.02909	12.1
85.04053	9.8
86.09710	31.3
87.10074	8.5
91.05466	22.5
93.07054	10.4
97.02910	12.8
98.07118	9.4
98.97581	67.5
98.98472	100.0
105.07060	12.3
107.04971	14.6
109.02853	12.3
109.06477	10.5
112.81499	8.3
116.98618	29.3
119.04923	15.8
120.08122	18.3
121.06471	16.3
126.06654	20.2
127.03946	14.1
129.07085	9.0
129.10242	16.5
130.06549	21.5
132.08075	16.0
137.05965	72.3
146.06012	13.3
147.04422	23.9
149.00533	9.4
153.05501	16.5
153.07059	12.8
158.99704	20.7
159.09206	20.4
162.61284	8.2
167.07072	21.0
168.08769	8.6
170.05989	16.1
171.02960	8.2
176.98953	15.0
177.00668	19.2
179.07021	24.9
181.06406	21.8
181.08572	19.9
188.07053	23.0
189.04274	10.5
193.08588	10.5
205.09819	13.7
209.06055	9.9
211.07597	10.6
213.09088	9.7
215.07004	9.2
248.05106	8.3
269.08160	9.0
270.12225	14.4
273.11295	8.5
301.10852	26.2
315.09741	9.7
315.14310	12.5
333.09494	78.8
333.15427	81.8
334.09323	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	333.118
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.05037	4.3
56.96565	7.9
58.29964	2.9
60.04527	31.7
62.84966	3.2
65.03947	7.4
69.03432	4.0
69.23753	20.5
70.02971	3.7
70.06587	9.0
70.98131	3.4
72.08157	6.7
74.06069	5.0
81.03431	6.4
84.04509	5.1
84.08149	100.0
85.02910	8.5
85.08450	2.8
86.09709	68.9
87.05601	6.0
87.10047	11.6
96.99434	3.2
97.02908	3.2
98.97580	5.6
98.98471	33.0
101.10735	6.6
108.08105	14.9
109.08468	11.3
111.04427	18.3
115.05067	11.5
122.03522	3.1
124.07605	3.1
129.10228	28.0
131.47630	2.8
137.05978	23.3
139.03902	35.7
139.83089	3.2
142.12288	3.3
147.11327	4.8
148.06097	4.1
152.07077	6.7
153.07445	9.2
157.06085	8.2
157.13397	8.3
158.13707	11.6
171.06535	41.6
173.12910	3.3
174.08730	4.6
174.79974	3.2
176.98955	3.4
185.05592	4.1
185.12823	4.4
187.14420	12.8
189.12318	3.8
194.54776	3.2
202.08228	10.0
211.02248	4.1
215.13898	3.5
229.26724	3.0
232.48260	3.4
257.11249	3.4
270.14520	11.7
273.05832	3.4
289.08640	6.1
302.28952	3.3
315.06830	21.0
315.12723	9.3
316.07358	3.8
316.16562	3.3
333.07953	94.5
333.11365	4.8
333.14713	17.0
333.19232	13.0
334.08765	4.8
347.66196	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	333.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00280	3.5
55.01873	4.0
55.05516	4.2
57.03429	5.6
60.04534	10.2
65.03945	9.6
67.05518	4.0
69.03435	14.5
69.10754	29.9
70.06596	11.4
72.08156	15.2
73.02914	6.6
75.98876	3.4
81.03428	7.8
83.05000	6.0
84.04509	18.7
84.08148	31.3
85.02908	40.2
86.09706	56.1
87.10033	6.1
88.04064	3.7
90.05578	7.3
93.03377	3.9
94.01540	4.4
94.68169	3.4
97.02908	12.7
98.97562	4.4
98.97803	5.1
98.98465	55.6
108.08116	6.7
109.02880	6.6
109.08473	6.3
111.04453	35.8
114.03829	4.2
115.05038	3.6
127.03883	11.9
129.10258	10.5
130.05026	13.5
130.06540	20.5
132.08104	18.1
132.10214	11.5
137.06000	6.2
139.03917	78.9
144.08112	3.8
145.04953	5.4
147.11301	4.1
152.07108	5.3
153.07408	4.2
157.06129	6.6
159.09203	26.6
170.06061	17.2
171.06529	71.6
176.98932	4.0
186.16942	4.9
197.12941	6.0
198.13193	4.5
201.12463	3.8
203.06677	4.5
206.92587	3.9
216.14182	5.6
253.06992	5.3
273.05917	5.5
287.11118	13.7
288.32379	3.9
299.10266	4.3
315.06656	22.4
315.12628	5.2
333.07947	100.0
333.11536	21.9
333.15222	59.2
333.18942	4.7
334.08646	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	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
53.17097	0.2
55.05510	0.3
62.39323	0.3
67.05494	0.4
69.20777	0.3
70.06593	0.3
70.65498	0.3
70.65820	0.5
75.18593	0.2
81.07066	0.5
83.04960	0.2
84.04501	0.3
84.08120	0.2
85.02897	0.7
86.09704	1.1
86.98197	0.3
92.49676	0.2
95.04934	0.3
98.97556	0.6
98.98487	1.7
107.04980	0.6
108.05295	0.3
108.38087	0.3
127.03886	0.3
137.05954	0.7
145.10152	0.3
149.05962	0.4
153.05502	0.4
153.09111	0.4
154.05739	0.4
167.07153	0.3
169.07567	0.5
171.09932	2.5
185.07094	0.4
187.11200	0.4
197.07159	1.5
220.40613	0.3
223.08765	0.3
227.08322	0.3
243.07700	0.5
269.09253	0.5
273.08755	0.3
297.08664	0.5
315.09726	2.3
315.13260	0.6
315.35092	0.3
333.15173	100.0
334.09592	0.3
334.15533	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	333.174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	37.2
57.07067	0.8
59.35052	0.6
67.05506	0.9
69.07088	0.9
70.06180	0.7
71.08644	0.9
71.95264	7.8
72.96036	1.7
74.97607	2.0
79.05474	0.7
80.99368	0.6
81.07071	1.0
84.96032	2.9
88.07626	1.4
89.08025	0.7
91.05501	1.5
93.07040	1.1
94.43834	0.6
95.04972	1.3
95.08567	0.7
97.96822	2.1
98.23504	0.9
98.97587	1.2
98.98462	2.7
102.60539	0.6
105.00176	1.1
105.07025	1.5
107.08579	1.1
109.06504	1.2
110.97574	13.1
115.97843	1.8
116.98627	1.6
119.08591	0.7
123.01195	1.8
128.98611	22.5
131.00056	1.3
133.10103	0.8
133.98943	0.8
137.02753	1.8
140.98456	1.8
143.00218	2.9
145.01671	0.7
146.99652	16.1
147.11572	0.6
155.03781	0.7
161.01180	4.5
161.04855	0.9
161.98323	0.6
165.00807	1.3
165.05824	0.8
165.12778	2.8
166.99983	0.7
167.03787	0.8
169.01657	1.1
170.01201	0.9
171.03285	2.6
174.99072	0.9
175.02817	1.9
179.02258	1.0
181.01538	0.9
181.05368	0.7
183.03238	1.0
185.04826	0.6
187.02550	0.6
189.00571	1.2
189.04346	2.7
197.04884	1.0
203.05875	2.4
203.07542	0.7
205.09163	0.6
209.07031	0.6
221.04863	0.8
221.08496	0.8
225.07983	1.5
227.09534	1.8
235.06419	1.0
241.11165	1.0
243.09047	1.0
245.08447	0.9
245.10674	0.9
263.09567	5.6
265.11081	1.0
277.10910	1.1
281.10571	0.9
282.11224	0.8
283.12265	0.7
284.29352	0.7
289.11188	1.1
289.21561	0.6
303.12665	2.6
313.15042	0.9
315.16309	58.9
316.16650	4.5
331.15732	4.0
332.31573	1.8
333.17322	100.0
333.32129	1.5
334.17581	6.0
334.27451	1.8
349.17526	0.6
351.18454	17.6
352.18652	1.7
356.18973	10.4
357.19443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15181	0.4
70.35773	1.3
98.22719	0.7
98.98451	1.2
165.12845	0.7
195.09952	3.5
282.46765	0.5
333.17169	4.1
333.20343	100.0
334.17117	0.9
334.20645	6.7
334.29526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30125	3.3
83.04954	0.5
88.07593	1.0
98.23402	0.9
98.98452	1.4
190.73080	0.5
195.09952	1.0
202.74731	0.5
315.92477	0.5
333.16931	5.6
333.20349	100.0
334.17136	0.9
334.20697	7.1
334.29410	2.1
356.46292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81043	0.5
66.85186	0.5
68.03969	0.5
69.32066	3.3
81.30635	0.5
88.07625	1.8
98.22679	1.0
104.07145	0.7
242.24895	1.5
247.13115	2.5
315.19360	5.9
316.19647	1.0
333.20380	100.0
334.20700	8.5
334.29477	6.4
344.10211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
55.63311	0.7
56.05035	1.2
57.07087	0.8
58.06594	1.9
69.07083	0.9
69.45359	3.6
70.06566	0.7
74.06074	1.2
79.05496	1.0
81.07051	0.7
83.04970	0.6
88.07636	10.0
91.05550	0.9
93.07083	0.8
98.98455	1.9
104.07126	0.9
105.07030	1.3
119.08576	0.9
121.10166	0.6
131.08585	1.2
132.10207	2.5
158.68373	0.6
159.11743	0.7
172.61147	0.7
238.30859	0.7
242.24759	8.8
286.27332	2.5
315.19171	1.2
333.20355	100.0
334.20728	7.2
334.29523	26.0
334.33679	1.0
350.49738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	PGB3
Peak:m/z	Relative Intensity
57.10512	1.8
57.92572	2.1
65.39394	2.1
67.05505	3.5
67.12246	1.9
67.12642	1.9
69.21334	12.4
75.30414	2.3
77.79084	1.7
79.05500	2.3
80.94847	2.7
81.07064	3.3
84.55549	1.6
95.08614	3.2
98.23371	3.8
98.98454	7.2
105.07027	2.8
133.10129	2.8
151.11116	1.7
163.45784	1.8
165.12683	2.7
190.84427	1.8
195.09920	6.6
308.03491	2.0
315.19348	31.3
333.16730	11.9
333.20349	100.0
333.23859	3.4
333.34906	2.4
334.20627	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26925	0.7
53.03938	2.4
55.05511	6.3
57.03431	2.9
61.02918	3.1
67.05511	1.3
69.03433	6.8
69.07061	1.3
70.06590	2.2
70.21529	1.1
70.21857	1.7
71.04987	3.1
72.46990	0.9
73.02914	1.0
74.06076	1.9
78.07854	0.9
79.05481	3.3
81.03408	3.2
81.07061	18.5
83.08614	6.4
84.08136	2.3
85.02905	15.7
85.06525	3.7
86.09712	2.9
91.05508	2.2
93.07037	2.0
95.04943	1.2
97.02883	5.5
97.05277	1.4
97.06543	1.1
98.06086	1.5
98.09674	3.9
98.97578	2.4
99.04463	0.9
99.08083	3.0
105.94752	0.8
108.08115	3.5
109.02901	2.1
109.06518	15.8
111.08046	1.5
116.98561	1.0
120.08063	1.3
124.07550	1.3
125.60620	0.8
126.09161	51.3
127.03909	4.8
127.07562	17.6
130.08641	2.1
136.07605	1.9
137.05969	3.4
142.33688	0.9
143.07378	1.0
145.04924	2.5
154.08633	65.0
155.07033	40.7
172.09691	100.0
173.09894	2.4
173.12923	1.6
175.10815	1.1
203.10237	1.6
208.92267	0.9
211.76547	0.9
219.01718	1.2
244.06215	0.9
266.24554	1.0
281.15240	1.0
293.09045	1.9
311.68793	1.0
317.11224	2.0
317.17325	1.1
334.09009	36.1
334.15268	2.1
335.09583	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	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.5
57.26648	1.8
59.85328	1.4
60.04528	1.9
69.03395	1.3
70.92560	2.6
70.92899	1.2
70.98102	2.0
79.05509	2.3
81.03424	1.6
81.07058	1.7
83.85693	1.6
84.08141	5.5
85.02930	7.9
86.09715	5.6
94.04168	3.2
98.97589	15.3
98.98475	2.7
99.04464	1.6
109.06506	1.6
110.06068	2.3
111.04454	2.6
116.98630	4.9
122.03638	7.3
124.07613	3.1
128.98642	1.9
130.04996	1.6
130.08635	1.5
135.63768	1.3
137.05981	100.0
138.06358	3.4
140.10799	1.4
152.07227	1.4
154.08649	3.0
155.03386	4.3
172.09689	6.3
175.07108	2.1
177.00679	6.8
195.01770	3.7
235.01315	3.4
253.02196	1.5
265.02390	1.9
316.07315	7.2
317.11368	2.0
334.08362	36.1
334.15405	12.3
335.09344	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.05499	4.7
57.03423	2.4
57.07079	5.8
67.05505	13.1
69.07057	6.8
69.32281	4.2
69.32686	2.7
71.04983	1.2
71.08630	10.9
72.04519	77.8
79.05500	9.4
80.01964	1.1
81.07057	15.7
82.83314	1.2
83.04962	1.8
83.22633	1.1
85.06538	3.3
88.07617	2.1
88.31264	1.1
91.05480	15.8
93.07049	14.1
95.04971	17.5
95.08607	19.9
95.28390	1.2
97.06525	4.0
98.22542	1.1
99.08115	5.6
100.07606	2.9
105.07037	8.2
107.08601	11.2
109.06525	24.9
109.10138	5.5
110.06845	1.3
111.08075	1.4
114.09171	17.8
117.07018	1.7
119.08569	5.7
120.33491	1.3
121.06518	2.7
121.10133	5.1
123.08053	2.7
128.10724	9.0
128.81932	1.1
131.08507	5.7
133.10136	7.9
135.08076	2.9
135.11656	1.6
137.09654	1.4
140.10686	1.6
141.12790	1.3
142.12248	4.2
145.10089	4.1
147.11694	4.4
149.09624	1.4
149.13245	5.5
154.12291	1.9
156.13832	3.2
159.11678	1.3
163.11220	2.8
163.14836	1.6
165.12759	100.0
166.13158	2.9
168.13860	1.3
173.13277	10.0
175.11188	4.9
180.13850	4.4
181.83025	1.2
182.15456	13.5
184.13403	1.5
184.16817	1.5
187.14772	1.5
191.14272	7.6
194.15382	2.0
197.13419	1.6
201.12761	4.7
212.16388	9.3
215.14204	1.6
220.16974	13.4
222.98297	1.0
223.92043	1.1
229.19524	4.6
236.20093	34.8
240.38739	1.2
271.20630	7.8
289.21646	7.5
309.69653	1.3
316.26334	5.6
334.27383	38.7
335.21939	23.8
335.25717	1.0
335.28070	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.01873	6.9
55.05521	6.8
57.03440	3.1
57.07090	9.8
65.03951	1.9
67.05508	23.3
69.07063	10.0
69.13330	5.5
69.13755	5.1
71.08633	14.6
72.04523	78.1
79.05499	13.8
81.07057	24.3
83.04980	3.0
83.08634	1.6
85.06557	4.3
87.84644	1.6
88.07649	2.1
88.08186	1.5
89.06022	2.5
91.05484	8.4
91.40630	1.4
93.07042	17.7
95.04971	17.0
95.08616	24.7
97.06544	4.5
99.08108	6.1
100.07656	3.6
105.07048	12.1
107.08592	14.2
109.06521	26.9
109.10159	7.6
114.09164	19.4
117.07056	2.8
119.08591	7.7
121.06511	4.3
121.10149	5.9
123.08084	2.1
123.11703	4.5
128.10718	9.3
131.08603	5.3
133.06464	1.4
133.10136	10.9
135.08032	2.6
135.11679	3.4
137.09570	2.0
140.10703	3.4
142.12262	4.6
145.10168	3.4
147.11711	6.0
149.09637	2.4
149.13297	3.3
151.14799	1.6
156.13936	1.8
157.10211	1.7
161.13228	1.9
163.11275	1.9
163.14854	1.6
165.12766	100.0
166.13077	2.3
168.13927	1.7
172.09912	1.8
173.13237	8.3
175.11214	6.1
175.14761	1.7
177.12697	1.6
179.14256	2.2
180.13895	3.6
182.15410	13.1
183.11644	1.6
183.15732	1.5
184.13411	3.6
186.13428	1.4
187.14827	2.3
191.14293	10.6
197.13281	1.9
201.12764	5.1
212.16463	14.0
220.16997	13.0
229.19528	3.7
236.20099	41.3
237.20483	2.9
243.21176	1.4
261.22278	2.6
271.20627	4.2
289.21680	10.2
316.26468	6.5
334.13373	2.2
334.23584	2.8
334.27423	47.2
335.25543	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	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36203	1.0
56.96565	5.0
60.04518	1.0
60.80721	1.1
67.70028	1.0
68.71145	1.0
70.06595	2.9
70.61926	1.2
71.30141	1.2
74.06010	1.3
81.03430	2.1
82.99849	2.7
84.08151	9.7
85.02930	2.2
86.09710	2.7
86.99316	1.4
87.10078	1.5
98.97593	11.7
98.98460	7.7
101.00886	22.2
108.08081	1.4
110.07124	1.5
110.97574	2.7
113.00877	9.7
115.02438	5.0
116.07130	1.4
116.61137	1.1
116.98598	5.9
119.01929	36.7
120.02067	1.9
120.08105	3.7
121.10114	1.1
123.05564	2.4
127.02441	1.7
128.98598	2.8
129.03999	3.3
129.10268	2.9
130.06618	1.4
131.01912	26.3
131.05540	8.2
133.03534	7.5
134.99658	2.4
136.07590	2.0
137.02965	3.2
137.05948	1.6
143.01913	54.4
144.01955	3.2
145.01718	1.3
145.03497	9.5
146.99661	2.0
147.01413	1.9
147.05049	4.9
149.03011	2.5
149.06601	12.5
155.01903	23.6
155.05574	3.3
156.02768	2.1
157.03484	3.6
158.99658	2.0
159.05058	2.8
161.02962	69.6
162.03120	2.4
167.05501	1.4
171.05009	2.0
173.03030	20.9
173.06589	33.5
174.06825	2.4
175.04588	2.4
177.00722	1.8
177.06073	4.5
180.13385	1.3
184.04588	2.5
185.02956	4.3
185.06607	37.1
186.06769	2.6
187.02771	1.2
187.04457	1.7
187.08139	7.9
190.66414	1.2
191.07642	12.9
197.06622	3.1
199.08116	2.6
203.03712	7.3
203.05476	4.2
203.07623	24.2
205.09239	1.3
209.06609	1.5
215.07674	13.6
217.09215	2.0
219.01804	3.6
221.05058	20.5
222.05367	1.5
223.04590	1.3
227.07654	5.4
233.08746	6.2
237.02791	6.8
237.10956	1.1
245.05029	1.6
251.04596	1.2
257.08694	3.9
270.91968	1.6
275.09778	50.4
276.01495	1.3
276.09921	4.1
289.06134	1.8
292.90109	1.5
293.10818	100.0
294.10965	8.9
306.83414	1.1
307.06979	3.9
312.07898	3.4
316.12363	2.0
330.08981	1.2
335.12265	37.2
336.11975	3.3
336.23083	1.2
353.07501	4.5
358.95627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
54.88960	0.9
55.01871	1.4
55.05505	1.7
57.03420	0.9
57.07074	1.0
65.03922	1.2
66.64063	0.8
67.05505	4.9
68.05553	0.9
69.03414	3.8
69.07066	13.2
70.06589	4.1
70.58006	1.8
71.04987	1.6
73.02915	1.2
79.05487	3.4
81.03410	2.8
81.07056	2.5
82.06589	1.8
83.04984	2.0
85.02898	3.1
86.09700	1.7
91.05455	3.0
92.05018	1.3
93.07042	2.0
94.06571	2.1
95.04980	2.1
95.08627	1.2
96.08142	3.1
97.02895	6.1
97.06526	3.6
99.04453	1.7
104.05008	1.1
105.07003	2.3
106.06535	3.5
107.05010	1.1
107.08598	1.9
108.04482	2.9
109.02891	2.0
109.06532	1.9
111.04482	1.2
118.06608	0.9
119.08589	1.8
120.04488	1.5
120.08159	2.1
121.10158	1.2
122.06023	2.8
123.08128	1.2
124.07587	6.5
126.09084	1.2
127.03880	2.1
131.08542	1.0
133.06433	1.3
136.03920	1.1
136.07625	2.4
137.06001	1.0
138.05507	10.3
142.08661	2.5
143.08546	2.1
144.08051	1.4
145.02907	1.7
145.08823	1.1
146.09555	1.1
147.09210	1.1
149.07118	2.0
150.05530	9.6
152.03410	2.8
155.07333	1.3
157.07635	1.5
157.08829	1.7
158.09645	1.0
159.02711	1.8
160.07533	1.2
160.39819	1.1
161.08304	1.6
162.09140	1.3
164.07005	1.4
165.07025	1.6
166.05005	4.4
167.07283	1.5
168.06532	1.5
169.07661	1.6
170.09682	2.2
171.09103	1.7
172.07573	2.9
172.11182	1.7
173.07114	1.6
173.10756	2.1
174.05563	1.5
174.09157	2.4
175.05014	2.1
175.08705	1.7
176.03461	1.4
177.05501	2.1
178.05037	1.0
182.08269	13.4
183.09247	2.3
184.07619	2.7
184.09897	1.9
185.08389	1.1
186.07799	1.3
186.09230	1.9
187.08733	2.0
187.12355	2.0
190.12233	1.7
191.08231	1.3
196.09978	4.3
197.07127	2.8
197.10774	9.1
197.37807	1.1
198.07541	5.8
198.09473	5.2
199.03705	1.6
199.08632	2.8
199.12363	2.1
200.07089	2.8
200.09309	2.8
200.10922	2.2
201.06578	1.8
201.10242	4.4
210.07803	7.6
210.11380	1.4
211.08621	3.1
211.12270	2.4
212.09386	11.7
213.06619	1.2
213.10159	8.2
215.08165	1.8
215.11774	4.2
216.10249	3.0
217.09579	1.9
218.11797	2.8
225.10228	15.8
226.08594	5.1
226.10706	2.0
227.08147	3.4
227.11772	17.9
228.10310	2.3
228.12198	1.7
229.09708	7.7
237.10187	1.7
240.08942	3.7
241.06044	1.0
241.09666	5.0
242.10492	3.3
243.07851	1.5
243.11246	11.2
245.09247	6.7
245.12843	4.8
246.11220	2.8
247.11069	1.0
253.09702	26.9
255.11310	12.0
256.08514	1.4
257.09177	7.1
258.09866	1.6
259.10782	2.9
261.12375	5.1
268.08484	7.0
269.09271	4.4
271.10764	54.7
272.11429	4.9
273.12332	19.7
281.09213	9.4
287.10266	42.1
288.07584	2.1
288.10797	3.1
289.09128	1.5
289.11874	13.8
299.10263	67.1
300.10489	2.9
305.11356	5.6
317.11322	100.0
318.11865	5.6
335.08997	1.8
335.12466	17.4
335.15628	1.0
335.18768	2.4
336.12622	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18096	1.4
56.96563	13.0
65.03931	1.9
67.05501	7.3
69.03434	4.0
70.06581	3.3
70.81573	3.2
70.81943	1.7
70.98130	9.4
72.08150	3.4
79.05478	1.8
81.03429	1.9
84.08121	2.0
85.02914	4.1
86.09705	3.5
88.99171	1.8
95.04953	4.4
97.02927	1.7
98.97586	100.0
105.51741	1.5
110.06001	1.8
111.04523	1.4
116.98627	48.7
120.08112	8.8
120.92859	1.8
121.12419	1.6
127.03902	1.7
128.67480	1.7
128.98618	4.1
131.00148	4.8
134.31017	1.4
134.99640	14.5
136.36600	1.5
138.05498	28.4
138.06497	2.3
138.09160	3.3
145.02811	3.8
146.99660	4.6
149.01210	4.6
156.06590	15.4
156.10201	8.7
158.99646	6.2
159.02644	2.1
165.00667	4.9
166.08647	2.8
174.05832	2.6
174.09119	2.0
174.99170	7.7
177.00711	70.4
178.00974	1.8
181.96017	1.5
189.04045	1.8
193.00264	8.4
195.01779	42.7
200.02371	1.6
203.05301	3.1
219.01675	7.1
219.76956	1.5
224.06392	1.5
225.10313	2.3
235.01263	15.1
237.02898	2.9
247.01312	8.1
253.02286	18.2
253.09744	3.2
257.09210	3.0
265.02316	25.4
266.02640	2.0
271.03439	2.1
271.10980	3.4
272.08990	1.9
283.03244	2.6
289.11816	3.7
299.10315	5.3
317.11349	10.2
317.18747	2.5
335.10983	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76414	0.3
66.68310	0.3
67.05493	0.5
69.90407	1.0
69.90739	0.4
81.07063	1.1
91.05498	0.6
93.07029	0.6
95.08599	0.6
114.44371	0.3
195.09947	2.3
335.21927	100.0
336.22189	7.3
336.25912	0.6
337.43127	0.4
349.65695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
53.67675	0.5
55.45834	0.6
67.05484	0.7
69.54810	1.3
69.55198	1.0
79.23154	0.5
79.47799	0.5
81.07081	0.6
93.07048	0.5
95.08624	0.9
125.39259	0.5
175.99823	0.5
190.04227	0.5
244.09888	0.5
302.35437	0.6
335.21927	100.0
336.22235	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
67.05489	0.8
69.88333	0.6
69.88674	1.4
70.14359	0.5
81.07057	0.8
88.07638	0.8
95.08620	0.6
243.11000	1.0
243.25186	0.9
335.21939	100.0
335.29620	2.7
336.22278	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.03427	1.9
57.07056	0.4
67.05507	6.2
69.07063	1.2
70.46613	1.0
79.05489	2.6
81.07056	5.7
83.08623	0.6
91.05489	1.3
93.07049	2.1
95.04960	0.5
95.08607	4.6
95.94076	0.5
105.07030	0.9
107.08597	1.1
109.06570	0.5
109.10147	2.6
119.08588	0.8
121.10130	0.8
123.11703	1.3
125.09653	0.6
135.11700	0.9
147.11694	0.7
149.13229	0.6
165.12737	0.5
166.13086	0.6
335.21918	100.0
335.25485	4.3
336.22241	7.5
336.25897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01855	0.8
55.05514	7.0
57.03439	8.8
57.07084	1.5
65.03932	1.5
66.28727	0.7
67.05507	30.1
68.05818	1.1
68.95252	0.8
69.03400	0.8
69.07062	5.7
69.87082	1.6
69.87454	1.3
71.08614	0.8
72.04514	4.1
77.39610	0.6
79.05061	1.5
79.05493	17.5
79.83257	0.7
81.07058	30.6
82.07367	1.3
83.08621	3.7
85.06529	0.8
91.05487	8.8
93.07047	17.5
93.07623	1.2
94.07375	0.9
95.04951	1.9
95.08607	27.0
96.08967	1.0
97.06503	1.7
97.10175	1.9
97.53462	0.8
105.07020	6.2
107.08597	11.0
109.06499	1.7
109.10159	12.3
114.09188	0.9
117.07035	1.9
119.08583	6.1
121.10169	8.6
123.11716	4.6
129.05450	1.2
131.08586	4.3
133.10147	4.1
135.11681	7.3
137.13263	1.3
145.10117	2.9
147.11679	3.3
149.09657	0.7
149.13255	4.5
159.11679	2.8
161.13268	2.4
163.11176	0.8
163.14809	1.9
165.12772	3.0
166.13116	3.5
173.13277	2.3
175.14850	1.8
187.14801	1.6
195.09898	3.3
199.11386	0.9
209.15442	0.9
217.33382	0.7
234.94061	0.8
237.20401	1.4
243.21140	2.8
261.22119	5.4
335.21881	100.0
335.25833	36.4
336.22318	8.9
336.26178	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35890	0.5
57.21541	0.4
67.05499	0.9
68.28303	0.3
68.33519	0.4
69.76840	1.3
72.04517	1.0
79.05503	0.9
81.07060	0.7
93.07056	0.5
95.04982	0.4
95.08604	0.9
97.78249	0.4
105.07012	0.7
107.08607	0.6
109.10163	0.6
119.08581	0.8
121.10129	0.8
126.87872	0.4
133.10088	0.6
145.10013	0.4
146.56651	0.5
165.12688	0.4
166.13045	0.8
195.09952	2.1
225.61388	0.4
253.56549	0.5
335.21921	100.0
336.22238	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	335.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
54.66852	1.2
55.01872	2.7
55.05266	2.3
55.05512	28.3
55.85776	1.1
56.02551	1.5
57.03437	22.9
57.07075	5.8
60.46801	1.3
65.03943	5.2
67.05505	95.3
69.07068	26.5
69.71872	5.0
71.04984	11.6
71.08638	1.4
79.05489	59.7
81.07054	100.0
82.07391	1.7
83.04961	3.0
83.08614	14.1
85.06535	2.5
85.10198	1.3
91.04890	1.8
91.05046	0.8
91.05476	47.6
93.07041	73.5
94.07356	3.4
95.04972	18.1
95.08601	77.6
96.08931	3.0
97.06539	5.5
97.10187	3.5
98.91553	1.2
99.08079	1.4
103.05475	1.7
105.04524	2.5
105.07024	48.8
106.07387	1.7
107.04918	1.6
107.08587	46.0
108.08900	1.8
109.06518	5.2
109.10142	35.5
111.08083	2.9
115.05430	2.4
116.06269	2.3
117.06998	13.4
119.08575	51.2
121.06503	1.9
121.10140	35.1
121.78535	1.2
122.10432	1.5
123.08070	5.9
123.11703	13.5
128.06201	3.7
129.06973	6.4
130.07787	3.1
131.08565	40.3
133.10124	45.9
135.08043	7.5
135.11679	21.4
137.09622	3.1
137.13263	2.8
141.06999	3.5
142.07790	10.0
143.08562	17.8
144.09238	3.5
145.10123	28.5
147.08028	2.2
147.11650	13.3
149.09653	3.7
149.13225	7.1
153.07013	1.8
154.07805	1.9
155.08554	7.1
156.09349	9.6
157.10129	19.2
158.10886	7.8
159.11685	17.4
161.09619	4.0
161.13310	8.7
163.14851	5.3
165.06975	3.0
166.07794	1.8
167.08644	2.7
169.10141	7.1
170.10936	4.9
171.10347	2.3
171.11684	17.3
172.12428	1.4
173.09615	1.5
173.13274	30.3
175.11157	1.3
175.14859	9.3
177.12744	2.0
177.16370	1.7
179.08511	3.1
180.09299	1.5
181.10110	2.7
182.10881	2.8
183.11691	7.6
185.13268	5.9
187.11246	2.0
187.14806	12.0
189.12746	1.4
193.10178	5.1
194.10837	2.6
195.11676	9.7
196.12340	3.6
197.13269	12.0
199.14818	10.5
201.16409	3.4
206.10951	3.3
207.11758	5.6
208.12338	2.0
209.13292	6.8
209.15106	1.4
211.14815	8.4
212.15555	3.7
213.12813	2.3
213.16399	1.9
215.17960	1.7
219.11749	2.3
220.12419	1.9
221.13263	7.9
222.13936	2.7
223.14902	3.8
233.13249	2.3
235.14813	4.2
237.16388	4.0
243.21048	6.9
246.14217	1.4
247.14925	2.7
251.18063	2.4
252.18646	1.7
255.17377	2.4
261.16415	1.7
261.22183	10.3
277.19553	5.8
279.17523	2.8
292.21875	1.5
317.24817	1.9
335.26114	73.1
336.26385	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03947	3.6
55.01854	1.7
55.05268	1.7
55.05514	18.3
57.03437	25.6
57.07049	2.9
65.03937	3.9
67.02993	1.4
67.05505	81.6
68.05826	2.3
69.06736	1.7
69.07067	16.5
69.60947	7.1
71.04989	1.9
71.08620	2.8
71.55466	1.5
72.04523	9.3
73.04841	2.0
77.03947	1.3
79.05495	49.3
80.05811	1.8
81.07058	93.0
82.07392	2.2
83.04993	1.7
83.08616	10.9
85.06534	3.6
91.04965	2.0
91.05484	21.5
93.07047	58.8
94.07364	2.8
95.04953	4.6
95.08606	72.5
95.29142	1.4
96.08956	1.7
97.06536	2.7
97.10161	3.7
99.08077	2.0
105.07030	19.0
107.08591	33.4
108.08934	1.8
109.06502	5.1
109.09460	2.3
109.10163	34.9
110.10478	1.5
111.08056	2.5
114.09212	1.3
117.07010	6.5
119.08575	15.3
120.55466	1.5
121.10143	26.2
122.10516	1.4
123.07993	1.8
123.11710	10.3
129.05440	4.3
129.91423	1.5
131.08548	10.0
133.10132	12.7
135.10681	1.5
135.11687	20.1
137.13243	2.7
145.10133	9.8
147.11673	9.8
149.13268	13.3
159.11703	7.6
161.13309	8.5
163.14821	4.3
165.12720	7.9
166.13094	6.5
173.13301	8.0
175.14748	2.1
177.16333	3.9
187.14783	3.3
189.16396	1.4
191.14435	1.8
201.16353	1.5
237.20390	3.3
243.21034	12.1
261.22177	19.8
262.22546	1.8
317.24567	5.2
335.25748	100.0
336.26123	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	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	3.7
55.01870	1.0
55.05511	22.5
57.03441	25.4
57.07066	3.2
65.03938	3.1
67.05502	92.0
67.41502	1.0
68.05846	1.8
69.07070	19.7
69.34598	6.1
71.04988	2.4
71.08624	1.2
71.47657	0.8
79.05490	45.6
80.05823	1.0
81.07055	89.7
82.07419	1.4
83.04991	3.2
83.08614	8.5
85.06554	1.6
88.48275	0.8
91.05479	23.6
91.28336	0.9
93.07043	50.4
94.07371	1.0
95.04965	3.2
95.08604	74.7
95.33203	0.8
97.06527	3.6
97.10138	4.0
98.23357	1.7
99.08096	1.3
105.04533	1.1
105.07030	15.5
106.07359	1.0
107.08588	24.6
109.10157	29.2
111.08035	1.3
117.07005	4.8
119.08582	10.7
121.10145	21.6
123.08053	1.6
123.11704	9.4
131.08585	10.5
133.10135	10.3
135.11690	13.9
137.09618	1.1
137.13251	2.8
145.10094	6.9
147.11697	6.9
149.13264	7.5
159.11661	5.4
161.13318	4.6
163.14835	4.1
165.12694	1.0
173.13289	4.4
175.14836	2.8
177.16475	1.2
186.33223	1.0
187.14876	2.4
188.85475	1.0
191.14398	1.2
201.16339	1.2
226.80853	0.8
243.21127	3.3
256.83093	1.0
261.22183	8.1
317.24890	0.9
335.25790	100.0
336.26175	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03945	3.8
55.01888	1.9
55.05274	1.5
55.05516	22.2
56.05846	0.8
57.03442	26.5
57.07074	3.2
58.45515	0.7
65.03939	3.8
67.05509	100.0
68.05851	2.4
69.03445	0.9
69.06726	1.3
69.07075	18.6
70.59175	1.6
71.04986	2.3
71.08614	0.9
74.73314	0.8
79.05496	56.4
80.05844	1.8
81.03371	1.0
81.07063	88.5
82.07404	1.8
83.04991	2.3
83.08622	8.7
85.06555	3.0
91.05485	23.2
93.07049	54.3
94.07354	0.9
95.04977	4.2
95.08611	73.0
96.08961	2.0
97.06527	2.8
97.10179	2.8
105.04552	1.9
105.07035	16.2
107.08600	29.4
109.06536	1.9
109.10159	30.9
110.10484	1.1
111.08089	1.1
111.11694	0.9
117.07068	4.8
119.08593	11.3
121.10149	23.3
121.11016	1.4
122.10473	0.9
123.08082	1.1
123.11723	10.1
125.09666	1.3
129.05490	1.2
131.08574	11.1
133.10130	11.4
135.11699	16.7
137.13243	4.3
145.10168	7.7
147.11693	7.1
149.09674	1.1
149.13284	8.7
151.14879	1.4
159.11687	5.1
161.13249	6.6
163.11194	0.9
163.14844	2.7
173.13264	5.7
175.14851	1.4
177.12790	1.2
177.16402	1.3
187.14813	2.7
191.14142	1.0
201.16345	1.2
243.21156	4.5
261.22150	9.4
317.24799	3.5
329.59549	0.8
335.25812	87.9
336.26141	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.20190	0.9
53.03950	4.9
55.05269	1.7
55.05515	19.9
57.03157	1.3
57.03442	23.5
57.07090	5.1
65.03938	3.1
67.05511	83.7
68.05851	1.1
69.03409	1.0
69.07073	21.7
69.23463	6.8
71.04987	2.6
71.08631	1.2
77.03969	0.9
79.05500	47.8
80.05851	1.3
81.03416	1.1
81.07063	90.8
82.07372	2.4
82.27699	1.0
83.04976	1.9
83.08638	8.4
85.06544	1.4
89.06010	4.5
91.05486	25.6
93.07050	59.5
95.04974	3.0
95.08613	74.2
96.08952	1.8
97.06540	3.8
97.10171	3.7
98.22623	2.2
99.08089	2.4
105.07040	20.2
107.08604	33.8
109.06536	2.6
109.10164	31.7
111.08076	2.0
113.09676	1.0
117.07027	6.6
119.08581	15.6
121.10150	27.3
122.10462	1.2
123.08083	1.6
123.11719	10.6
131.08592	13.8
133.08626	1.6
133.10133	12.5
133.11560	1.2
135.10706	0.9
135.11708	17.7
137.09596	2.5
137.13274	3.8
145.10147	8.4
147.11670	8.3
147.21442	0.9
149.09589	1.0
149.13266	12.0
151.11131	0.9
151.14832	1.2
159.11685	6.9
161.13264	5.9
163.14839	3.2
165.12740	1.3
173.13286	6.4
175.14832	2.4
177.12817	1.9
177.16388	1.4
187.14874	3.2
189.16270	1.5
193.15919	1.5
243.21083	7.4
245.22638	1.2
261.22113	9.6
262.22476	1.4
263.23657	1.6
276.81796	1.0
291.23355	2.0
317.24710	4.7
335.18378	4.1
335.25797	100.0
336.26224	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.9
55.01871	1.6
55.05515	22.9
56.96565	1.8
57.03440	25.3
57.07079	4.8
65.03941	3.9
66.11352	0.9
67.05509	99.5
67.42172	0.8
68.05846	1.4
69.03454	1.0
69.07071	22.3
69.26668	5.4
71.04985	2.6
74.09700	1.5
79.05497	56.6
81.07060	100.0
82.07382	1.0
83.04980	1.9
83.08620	10.4
85.06535	2.0
91.05486	29.1
93.07048	62.6
94.07392	1.4
95.04978	4.4
95.08611	76.9
96.08936	2.0
96.30446	0.8
97.06523	4.5
97.10164	3.4
99.08070	1.6
103.05462	1.2
105.04500	2.1
105.07027	18.4
106.07399	1.2
107.08597	37.4
108.08936	1.3
109.06530	3.4
109.10160	34.8
110.97569	0.9
111.08099	1.0
117.07019	6.9
119.08577	16.3
121.10148	26.5
123.08073	2.0
123.11707	10.7
125.09651	1.0
128.98636	1.2
129.05499	1.7
131.08575	11.0
133.10135	13.4
135.08075	0.8
135.11685	17.7
137.09592	1.5
137.13272	3.3
139.11195	1.0
143.08652	1.4
145.10139	9.7
147.11678	8.3
148.12093	0.8
149.09631	1.2
149.13286	10.7
151.14801	1.1
159.11693	6.7
161.13261	8.3
163.14810	5.2
165.12819	1.0
173.13257	7.1
174.13638	0.8
175.14859	3.0
177.12752	1.5
177.16440	2.3
183.11839	0.9
185.13197	1.3
187.14813	4.4
191.14293	1.0
199.14799	1.5
201.16385	1.9
213.16296	0.8
214.81152	0.9
215.18018	0.9
217.19576	0.9
223.15279	1.2
243.21095	7.6
261.22144	13.1
262.22415	1.4
279.11612	0.8
279.21323	1.2
279.82062	1.0
314.17557	0.8
317.17923	1.9
317.24796	4.3
326.07996	1.1
331.55075	0.8
335.19022	9.0
335.25824	95.9
336.26105	8.8
353.19897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1918
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
50.49228	0.9
52.56513	0.8
55.05501	1.4
56.44550	0.8
60.00646	0.8
67.05499	0.9
69.03436	1.0
69.07063	1.3
70.06589	2.2
71.05007	1.5
72.08157	2.1
79.05499	1.1
81.07061	1.7
86.09711	100.0
87.10043	2.3
91.05477	2.1
93.07056	1.3
103.05479	4.5
105.07029	2.6
107.04955	1.2
117.06985	0.9
120.08112	79.0
121.08467	1.6
123.04481	1.2
128.06267	0.9
131.04939	2.2
131.08583	1.0
132.10193	1.5
143.11798	78.7
144.12163	1.9
149.05948	2.0
166.08647	31.1
169.10251	1.0
171.08023	0.9
171.11284	16.8
177.05521	1.6
177.10268	9.3
180.10165	1.2
203.08453	0.9
205.09808	1.5
215.10667	1.6
237.12517	1.1
277.08597	3.2
279.17004	1.1
290.05527	1.2
291.10321	1.0
305.07980	3.1
305.11292	0.9
309.11276	1.8
336.13132	1.9
337.10657	10.8
337.14130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.2
53.03938	18.1
55.01866	6.4
55.05507	9.6
57.07079	46.7
63.42959	2.1
65.03951	3.5
66.92335	2.2
67.05507	22.4
69.03419	5.0
69.07085	5.0
69.51860	13.6
71.05006	10.9
74.06076	10.5
77.03902	2.8
79.05498	41.8
80.05022	3.7
81.03403	4.6
81.07060	11.5
82.07392	2.9
83.04955	12.9
85.06552	20.8
87.03680	2.3
91.05485	100.0
92.05798	2.9
93.07034	19.9
94.06567	6.2
95.04970	43.7
95.08626	10.6
96.08142	27.7
96.08822	3.4
97.06523	15.8
98.23315	4.3
99.04420	2.9
102.09165	9.7
103.05474	18.8
105.04520	9.9
105.07047	19.3
107.04975	5.3
107.08636	7.0
109.02871	6.0
109.10173	4.6
109.63110	2.1
115.05458	58.7
116.06246	8.1
117.07017	53.8
119.04948	4.8
119.08583	6.2
120.08125	11.5
121.06509	20.8
121.10105	2.8
123.04427	4.2
128.06226	70.4
129.07019	90.0
130.06476	2.6
130.07443	3.6
131.08557	14.1
132.41258	2.4
133.06506	4.9
133.10115	2.7
137.05901	2.8
138.09137	13.1
141.06989	56.4
142.07790	46.4
143.08572	21.4
145.06503	9.3
145.10091	2.9
147.08165	2.8
147.11678	4.0
152.06175	5.4
153.06978	17.0
154.07774	8.6
155.06042	7.2
155.08559	32.6
156.09335	16.6
157.06494	4.8
157.10123	25.8
158.07346	11.1
158.10556	2.5
159.08006	4.6
165.07018	38.6
166.07785	26.0
167.08398	2.2
168.08087	3.6
169.06525	9.9
171.08054	19.0
171.11679	3.8
173.09698	3.0
179.08586	4.5
181.10135	6.8
183.08080	4.0
184.08839	8.3
198.12823	3.1
199.11198	16.2
216.13853	5.1
217.12280	9.4
221.15356	10.0
234.14929	12.4
252.19595	12.6
274.22705	3.1
277.21722	2.8
300.19531	2.5
318.20612	12.9
328.01541	2.6
336.21790	21.0
336.25031	2.9
340.09012	2.7
349.31549	2.5
351.46213	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	55.5
57.07030	1.3
68.36983	1.4
69.60796	7.0
70.06610	2.6
70.98125	28.9
70.98511	2.6
71.95267	4.5
84.96048	9.4
88.99157	9.5
98.97583	100.0
100.99150	1.5
107.00177	1.8
110.97571	35.9
112.99133	13.0
115.00693	4.1
116.98626	29.8
124.95472	9.2
124.99170	2.7
125.10169	1.2
126.97096	2.4
128.98608	36.6
131.00168	6.4
133.01657	6.7
134.99698	6.2
140.98622	5.7
142.96553	6.2
143.00198	4.1
144.98111	3.8
146.99657	24.4
149.01254	1.8
152.94992	4.6
152.98608	4.0
155.97343	1.7
156.98105	3.7
157.01729	2.0
158.99666	14.3
161.01190	3.1
165.00711	11.4
168.98273	1.6
170.95999	15.4
170.99637	8.4
172.97641	1.4
174.99181	7.8
175.02832	6.2
177.00763	11.3
184.97548	7.7
186.99187	3.4
188.97104	18.4
188.98711	2.1
188.99008	1.9
189.00685	15.9
190.98621	2.0
191.02289	2.1
193.00255	2.6
193.03909	1.8
201.00789	4.5
202.98645	11.1
205.00266	5.5
206.98180	7.8
207.01761	8.8
212.97118	6.0
217.00238	4.0
217.03842	2.7
219.01807	31.7
220.02321	1.8
220.99719	4.9
223.01369	4.2
230.98141	21.6
232.96573	1.9
235.01329	4.8
235.04822	1.8
237.02803	28.7
244.99747	15.6
248.99113	7.7
263.00766	31.3
277.02307	16.6
277.05978	19.3
278.06396	1.7
281.01855	4.6
295.03558	6.4
295.06970	70.8
296.07275	2.9
305.01843	2.9
306.62839	1.8
314.09363	2.3
332.10419	2.4
337.08203	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	337.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36674	1.7
52.84962	2.0
55.91632	1.9
56.96570	13.5
60.05649	18.9
63.88874	2.0
69.03402	2.1
70.06598	69.3
71.04995	3.1
71.30064	2.7
71.30434	1.8
72.08169	11.9
81.03426	3.0
82.99870	1.9
84.08137	6.7
85.01410	3.4
97.02907	2.0
97.07671	3.9
98.97612	10.2
100.07636	3.0
100.18539	1.9
101.00884	25.4
101.01491	3.1
103.02452	9.7
110.97590	7.5
112.07613	4.8
112.08733	12.4
113.00861	17.7
114.09161	6.4
114.10303	15.4
116.07090	6.2
116.98640	5.2
119.01923	27.6
121.01650	2.2
121.03494	4.8
122.34814	1.8
124.47949	2.1
127.02409	23.1
127.05020	2.1
128.07114	2.2
128.98621	9.0
129.03979	3.0
130.09778	10.3
131.01917	42.6
131.12955	3.6
133.03467	4.6
134.99693	2.2
137.02937	2.5
139.02425	5.9
143.01913	3.9
145.03470	72.1
146.03552	4.1
146.99658	2.9
147.01370	5.2
149.02959	4.0
150.09138	2.2
155.01894	25.6
156.95753	2.0
156.98088	11.3
157.03481	41.2
158.03607	4.7
158.09285	3.9
161.02975	4.6
163.04524	2.3
167.01910	3.3
170.99982	2.5
171.01373	11.1
173.02975	44.4
173.14021	4.5
174.03108	5.3
174.99162	44.8
175.04588	10.9
175.11920	11.7
183.01431	5.9
185.02933	14.4
186.03358	2.2
189.00812	4.2
189.02461	11.8
192.98601	3.0
193.00247	37.2
193.01926	1.5
196.02603	3.0
198.11316	7.5
199.00893	8.1
201.02483	6.7
203.03989	3.7
211.00990	4.9
214.10765	2.4
214.69574	2.1
216.12444	2.6
217.00174	20.5
217.01971	100.0
217.13058	3.3
218.02180	7.3
221.05070	6.1
228.99806	3.2
229.01952	51.1
230.02115	2.6
232.11894	2.5
235.01180	10.5
235.03163	34.9
235.06622	2.5
236.03308	3.5
239.06169	6.0
242.10318	4.8
247.00946	5.3
247.03307	21.7
247.06586	4.3
253.04054	3.1
257.16162	9.7
260.11432	3.9
275.06195	5.0
285.97086	2.1
297.99374	1.9
319.05090	5.1
319.12814	3.1
319.16248	4.6
337.10794	44.7
337.17209	76.2
338.11227	2.4
338.17963	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	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	44.0
70.61823	2.1
70.62186	2.6
70.98119	12.5
71.95259	3.3
72.96054	1.4
84.96017	10.0
88.99149	6.9
98.97585	99.0
110.97569	37.2
110.98322	2.1
112.99139	19.3
115.00691	3.1
116.98624	27.0
119.00091	1.7
124.95474	5.8
124.99148	2.3
126.97003	3.3
128.98615	29.0
131.00172	13.4
131.90877	1.1
133.01726	7.3
134.99629	5.6
140.00397	1.4
140.98608	6.6
142.96538	4.7
143.00185	7.0
144.98125	3.5
145.01733	2.1
146.99646	17.5
149.01253	4.0
151.02786	3.2
152.94946	2.3
152.98643	6.0
156.98122	2.2
158.99669	19.2
161.01225	5.2
161.59447	1.2
162.99173	1.9
165.00752	4.6
170.96030	8.2
170.99648	11.3
172.97581	2.0
173.01324	1.8
174.99193	2.8
175.02817	6.7
177.00734	10.0
179.02379	1.5
184.97644	2.7
187.02733	2.4
188.97102	12.0
189.00705	11.6
193.00359	2.1
193.03831	4.3
201.00748	5.9
202.98625	5.4
205.00191	3.4
206.98099	3.4
207.01799	5.4
211.04747	1.3
212.97118	3.6
217.00266	3.3
217.03807	3.0
219.01775	39.0
220.99707	5.3
223.01247	1.9
225.02881	1.4
229.03766	1.6
230.98163	15.1
235.01210	2.3
235.04977	3.1
237.02815	45.3
244.99683	8.4
248.99139	3.9
263.00800	21.6
277.02386	8.7
277.05951	31.6
281.01785	3.1
293.05457	2.0
295.03775	3.5
295.07007	100.0
296.07202	1.4
305.01688	1.8
307.16101	1.2
323.60141	1.2
337.08466	54.6
355.09039	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	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92264	0.5
53.47820	0.4
58.34009	0.5
67.05504	0.7
70.46581	1.0
81.07034	0.7
89.34831	0.6
92.32906	0.5
95.08631	1.1
98.10543	0.5
98.22729	0.6
319.22357	2.2
337.23499	100.0
338.23853	7.6
355.23602	0.5
356.80209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08347	0.7
53.80046	0.7
55.05492	1.2
63.22500	0.7
67.05494	2.8
68.15311	0.6
69.07065	1.8
70.89771	1.6
76.90501	0.7
77.75645	0.6
79.05489	1.8
81.07037	3.7
82.49007	0.7
83.08627	0.8
85.03503	0.8
91.05472	1.4
93.07035	2.2
95.08607	2.5
97.06513	0.7
105.07014	2.4
107.08600	3.1
112.36543	0.7
114.36408	0.7
119.08588	2.0
121.10139	1.7
123.11696	0.9
133.10168	1.9
135.11687	1.1
137.09604	0.8
145.10126	1.1
157.10106	1.0
158.80400	0.8
278.21957	1.0
283.94843	0.8
318.33395	0.7
337.23471	100.0
338.23752	6.5
349.77905	0.8
355.23987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59945	0.4
58.78894	0.3
61.30595	0.3
69.62724	1.2
98.22619	0.5
112.29206	0.3
238.12047	0.4
274.62173	0.3
319.22363	0.7
331.35831	0.4
337.23486	100.0
338.23801	6.5
355.23245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33332	0.6
67.05524	0.8
69.07075	0.8
69.30270	4.0
81.07043	1.0
86.09689	1.0
91.05476	0.9
98.23337	0.9
108.04504	1.1
108.28198	0.8
181.15689	0.7
193.45049	0.8
216.47084	0.7
249.70378	0.7
289.64038	0.7
312.70294	0.8
337.23462	100.0
338.23413	4.0
338.27258	1.0
358.02615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46214	4.1
55.05515	34.0
57.03195	4.0
57.03429	22.7
57.07078	15.0
62.30825	4.9
67.05508	71.0
69.07072	48.7
71.08655	5.2
79.05499	23.6
81.07062	77.6
83.08621	32.7
91.05484	14.0
93.07041	21.9
95.08611	64.2
97.06551	6.7
97.10210	14.9
99.30669	4.8
105.07033	7.6
107.08607	11.4
109.10197	31.5
111.11625	5.1
119.08603	12.6
121.10175	16.5
123.11732	11.6
130.87135	5.2
133.10109	11.6
135.11728	11.6
137.13245	5.4
149.13290	5.8
151.14832	4.5
161.13324	6.8
263.23776	7.1
307.29330	4.4
337.10690	6.9
337.27313	100.0
338.27783	7.4
338.34109	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.98417	0.9
53.03945	3.6
55.01865	2.1
55.05514	43.5
57.03440	30.0
57.07084	7.0
58.27374	1.0
63.73967	0.8
65.03934	3.6
67.05508	92.8
68.05833	1.6
69.01861	1.1
69.07072	56.6
69.27312	1.7
69.27721	5.2
71.04991	3.1
71.08620	2.5
79.05498	23.8
81.07060	87.9
82.07393	1.4
83.04971	1.5
83.08619	30.7
85.06522	1.6
85.10182	1.7
89.73439	0.9
91.05484	14.4
93.07046	22.8
95.04961	1.7
95.08611	77.5
96.08953	2.1
97.06530	4.3
97.09612	1.7
97.10178	14.8
99.08111	2.4
105.07038	12.1
107.08599	15.2
109.09451	1.8
109.10161	29.7
111.08080	3.4
111.11736	2.8
119.08596	9.2
121.10161	10.8
123.08110	1.3
123.11710	10.7
125.09689	1.6
133.10136	9.0
135.11717	6.5
137.09637	1.4
137.13246	6.0
142.63042	1.0
147.11690	6.5
149.13261	4.6
151.14801	2.3
153.12701	0.9
161.13297	5.4
163.14818	4.0
175.14893	3.1
189.16429	2.2
245.22662	4.1
263.23721	5.9
337.27365	100.0
338.27756	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03946	2.7
55.05518	33.0
57.03442	23.5
57.07063	6.2
65.03953	4.6
67.05510	82.9
69.06529	15.8
69.07071	44.8
71.04993	1.8
71.08622	3.1
79.05496	19.9
81.06578	4.1
81.07059	76.2
82.03595	1.7
82.07384	3.5
83.04988	3.4
83.08619	20.1
91.05480	10.5
93.07056	22.6
94.07336	3.1
95.08614	52.9
97.06556	3.3
97.10188	9.4
98.23332	4.3
98.82438	1.8
99.08076	2.0
105.07028	6.8
107.08601	12.6
108.66918	1.9
109.10160	26.5
111.11719	3.3
118.38484	2.0
119.08583	7.1
121.10152	8.3
123.11710	7.0
125.38745	1.7
133.10144	7.1
135.11673	3.9
137.13234	3.9
143.37823	1.7
147.11702	5.8
149.13274	2.7
161.13293	5.4
163.14917	4.8
175.14807	2.6
215.77379	1.9
245.22569	3.7
263.23682	6.0
337.27353	100.0
338.27692	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	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01870	2.1
55.05513	48.8
57.03440	30.5
57.07077	6.0
65.03936	4.1
67.05507	100.0
69.07071	54.5
69.07456	1.9
69.28461	7.8
71.04986	3.7
71.08627	3.3
79.05498	28.5
81.07058	98.1
81.84280	1.1
82.07404	1.3
82.78905	1.0
83.04959	4.0
83.08620	30.9
85.06527	2.5
85.10157	1.1
91.05480	15.0
93.07045	27.3
95.04942	2.2
95.08610	83.8
96.08936	1.8
97.06516	5.5
97.10180	15.2
98.22534	1.5
99.08092	2.0
105.07030	12.5
107.08596	13.3
109.10161	30.6
111.08086	3.0
111.11708	4.7
113.09626	1.8
119.08592	9.6
121.10145	11.6
123.08073	1.5
123.11712	11.1
133.10123	9.8
135.11722	5.2
137.09639	3.3
137.13271	5.0
147.11696	6.3
149.13261	3.9
151.11147	1.3
151.14787	2.0
154.29207	1.0
161.13225	4.4
163.14839	4.4
165.12781	1.6
165.20801	1.1
175.14848	3.5
179.18208	1.1
189.16386	1.0
239.51015	1.1
245.22643	4.3
263.23685	4.8
284.47574	1.1
337.27350	93.5
338.27719	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.5
55.05499	6.4
57.03435	5.2
57.04194	3.1
65.04247	2.6
65.83513	3.0
67.05520	16.4
69.03430	8.4
69.07054	11.4
70.06580	9.6
71.04984	19.9
71.30884	3.1
72.08138	5.0
74.06075	2.9
79.05490	3.6
81.03410	14.3
81.07056	28.1
81.63264	3.2
83.04988	4.4
83.06087	10.9
85.02913	23.1
85.06544	5.9
86.09725	7.5
91.05470	13.0
93.07039	3.6
95.04963	3.5
95.08611	100.0
95.09229	4.8
96.08930	4.6
99.04449	4.9
99.08085	5.4
103.03964	5.6
110.06057	4.0
113.09657	3.4
115.07590	9.0
117.03380	8.2
119.04939	9.2
120.06699	3.1
120.08128	9.1
121.03986	4.9
122.06026	8.6
123.04404	5.2
123.08063	35.5
124.07596	3.4
127.03912	4.5
128.22026	3.6
135.04398	6.3
136.06534	4.8
136.07552	31.6
141.09103	46.8
141.12744	12.9
145.02826	20.8
145.09743	6.2
147.04408	41.8
149.05959	12.3
150.05492	3.9
152.07056	6.8
158.06042	2.9
159.10197	49.8
159.13835	4.5
163.03879	10.3
164.04250	9.9
164.07059	11.6
165.05530	4.2
166.08632	4.4
167.06929	3.4
173.09213	4.8
176.07010	4.3
177.05457	40.3
177.06793	4.8
177.14815	5.0
180.06694	4.0
182.08150	10.2
193.09724	10.2
195.06509	3.4
196.14445	12.6
203.03423	3.4
205.06128	23.1
206.12865	25.8
209.13876	2.8
214.12215	3.1
224.13908	4.5
241.11499	3.9
310.07883	4.8
320.09631	3.4
321.10367	9.2
321.14511	4.8
338.08762	4.5
338.12332	9.6
338.17062	8.4
339.11874	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	338.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96424	0.4
53.03935	0.7
53.55774	0.4
55.05503	2.2
57.03410	0.5
57.07078	0.9
59.49790	0.4
65.03937	0.7
67.05510	5.9
69.04663	3.8
69.07075	10.3
71.04978	0.8
72.17438	0.4
79.05487	4.7
81.07057	9.9
83.04987	3.6
83.08636	0.5
85.06564	0.6
86.09708	100.0
87.10044	1.5
91.05491	6.1
93.07050	11.0
94.62214	0.4
95.04967	2.5
95.08620	4.7
97.06549	1.0
105.07034	12.1
105.07745	0.6
107.08592	4.7
108.04468	1.6
109.06524	8.3
109.10144	2.7
111.08105	3.0
117.07004	0.9
119.08593	5.1
121.06467	0.8
121.10141	2.5
123.08080	1.1
123.11727	1.1
128.10712	4.3
129.06993	0.9
131.08583	4.0
133.06509	1.3
133.10135	15.4
134.10521	0.5
135.11719	1.2
136.03937	1.0
145.10139	0.9
146.11761	29.5
147.11702	8.4
149.02330	0.8
149.09650	1.2
149.13293	1.5
151.07532	2.6
151.11183	29.1
152.11507	0.8
154.05013	0.8
156.10220	1.5
157.10175	0.8
159.11702	1.0
165.12799	1.3
167.14354	0.5
168.06499	1.1
173.13287	0.5
175.11179	2.7
186.07651	1.8
193.12231	3.6
219.11647	0.5
222.14944	1.2
229.19524	1.3
234.74567	0.5
247.20648	2.5
250.43987	0.5
260.20071	4.8
261.20465	0.6
263.09259	0.5
274.97491	0.9
278.21143	29.8
279.21457	2.4
292.98434	0.8
306.20569	2.2
320.22269	2.8
338.23267	12.8
338.26791	1.3
339.23605	1.4
357.30795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92798	1.9
56.39934	1.5
62.49847	2.3
71.06794	1.7
71.31444	1.8
82.45477	1.7
88.98453	1.3
93.07059	1.8
95.04964	1.7
116.98624	3.5
191.99168	2.0
274.97394	2.0
292.98572	1.9
338.23767	100.0
339.24200	2.3
346.42548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50194	1.3
62.06091	1.3
63.84137	1.1
67.05487	1.3
67.07614	1.0
69.28852	7.4
79.61530	1.0
81.07063	2.6
83.08656	1.2
91.05495	1.3
93.07025	2.0
95.08573	1.1
98.23331	1.4
98.97584	2.0
214.56050	1.2
264.54898	1.0
274.97565	2.7
275.01501	1.0
292.98410	1.8
320.22678	2.2
321.24252	2.3
333.48853	1.0
338.23801	100.0
339.24167	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	339.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44979	0.7
56.96569	4.9
57.03419	1.0
57.77871	0.6
60.04525	0.7
60.91449	0.6
69.03433	1.9
69.07053	0.9
70.06596	2.0
70.15379	2.4
71.04997	0.7
71.95258	0.8
81.03427	1.0
83.11600	0.7
84.08134	1.9
84.96030	1.2
85.02904	2.5
86.09705	2.1
89.06035	0.7
91.05447	1.1
91.16049	0.6
91.60983	0.6
97.02887	1.0
98.97584	15.1
103.05452	0.8
109.56905	0.7
110.07174	1.0
116.98634	7.6
117.03370	1.7
119.04916	1.4
120.08096	6.0
127.03947	1.2
134.99669	4.7
136.07611	1.0
137.05959	1.0
142.67743	0.6
143.07001	1.1
145.02827	2.2
147.04420	4.9
158.99704	1.1
159.09251	1.2
160.07611	2.4
163.03954	1.8
164.07109	1.0
166.08582	1.0
177.00800	1.4
177.05429	5.3
177.10219	0.7
178.08665	1.4
178.12173	1.0
178.88835	0.8
179.07933	2.1
180.97853	2.3
185.04237	2.6
189.00822	0.7
190.13237	0.7
198.98921	3.4
199.00781	0.7
203.03424	1.5
207.11252	3.5
215.28040	0.7
219.11011	0.7
232.96538	1.2
237.02925	1.1
247.14441	1.3
250.97632	0.9
256.96613	2.6
257.03229	0.8
257.12897	1.4
258.11444	1.0
274.97470	13.0
275.14001	2.0
278.76218	0.7
285.12289	1.2
292.98608	8.6
293.14822	0.7
294.13477	1.0
303.13324	3.0
304.11847	0.9
321.10931	1.1
321.14365	5.4
338.96875	1.9
339.10544	100.0
339.15500	16.5
340.10614	6.7
340.13943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01861	1.3
55.05503	1.8
62.74529	0.9
65.03951	4.5
66.53564	0.8
67.05498	1.9
68.14361	0.8
69.03418	4.1
69.27546	1.1
69.27943	5.6
71.04991	1.8
79.05481	2.5
81.03401	1.7
81.07044	4.2
83.04980	1.2
85.02898	2.1
86.09647	0.9
89.03887	1.1
91.05482	100.0
92.05798	3.2
93.07058	2.4
95.04976	2.5
95.08617	2.4
97.02875	4.1
97.06532	1.1
98.23311	2.0
99.04471	1.1
102.04668	1.1
103.05465	2.8
105.07026	3.8
106.04190	1.6
107.04936	1.4
107.08593	2.3
109.06524	2.2
111.04442	1.0
115.05438	0.9
117.07008	1.3
118.04153	1.6
119.04940	6.6
119.08598	2.1
121.06495	2.3
121.10151	1.6
122.06022	0.9
123.04416	0.9
128.06216	1.7
129.07053	1.1
130.04138	1.1
131.04922	1.9
131.08559	1.8
133.06468	3.5
135.08064	1.7
136.07549	1.2
137.05980	5.0
145.02835	2.2
145.10086	1.0
146.03578	1.0
147.04416	20.0
147.11671	1.5
149.05988	4.7
149.09636	1.0
151.03899	1.8
157.06258	0.9
159.08055	1.6
161.06009	5.9
162.06767	2.8
166.55092	0.9
167.07120	1.0
175.07570	1.9
177.05481	10.4
179.07117	0.9
185.92279	1.0
187.07576	1.6
191.08504	1.0
215.06987	2.2
218.07277	2.0
219.07996	3.0
221.05997	0.9
235.07518	1.8
236.08275	1.2
246.06961	1.7
247.07552	2.7
249.09091	1.0
254.39105	1.1
263.07138	2.3
264.07675	1.9
265.08435	1.5
277.08594	1.8
278.09332	2.3
279.10172	1.8
281.08026	1.7
292.07452	1.9
302.35229	1.0
306.08832	1.8
307.09631	8.6
309.07367	1.7
311.12723	1.6
321.11139	1.5
339.08554	1.5
339.12189	14.1
340.12619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.2
69.03424	1.9
69.44461	3.6
69.44868	2.3
73.81791	0.8
75.73122	0.9
81.03426	1.3
83.04965	1.7
85.02895	2.6
87.00824	1.1
91.05482	12.5
100.78648	0.9
104.44230	0.9
105.01877	2.1
117.03373	2.3
119.04948	23.9
120.05254	1.4
120.08107	12.1
127.03921	1.8
139.03828	1.3
145.02838	2.8
147.04408	100.0
148.04715	3.7
166.08693	1.4
177.05402	4.7
179.26727	0.9
192.34377	1.0
219.02913	2.7
294.13330	1.4
301.52835	1.1
322.12616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03930	1.3
55.01875	2.0
55.05511	2.1
65.03941	2.4
67.05502	1.8
69.03434	2.0
71.31602	2.3
79.05492	2.8
81.03398	2.1
81.07057	3.9
82.04168	1.5
83.04965	1.8
85.02895	5.5
91.05482	5.5
93.07053	2.1
95.04974	2.5
95.08604	4.2
105.07014	3.0
107.04983	7.2
110.03677	3.1
111.04476	4.2
111.08132	1.3
115.05450	4.3
116.06183	1.4
117.03372	3.0
117.07040	2.7
119.04947	1.4
119.08561	1.7
121.06544	2.0
125.06002	5.3
128.06216	2.1
129.07013	3.2
131.04909	1.7
133.10172	1.4
135.08102	1.8
137.05988	5.9
137.09673	1.5
144.05646	2.2
145.02864	1.9
145.06514	4.4
146.07263	2.4
149.05972	2.3
153.05489	5.3
159.08099	9.8
161.06039	2.3
165.06960	7.0
171.04430	4.2
175.07538	2.6
176.06169	2.0
177.05464	5.3
177.06853	1.4
178.07742	5.2
179.08549	4.7
180.09409	1.4
181.06476	3.5
185.05948	8.6
186.06781	8.3
189.06973	7.0
190.07813	11.1
191.08586	15.6
193.06512	4.3
194.07193	2.5
195.08051	2.4
199.03711	1.4
202.07799	5.5
203.08542	5.0
204.05617	1.8
205.06456	9.6
205.10043	1.9
206.07227	5.9
207.08061	15.5
208.08823	8.3
209.09485	1.9
210.06630	1.6
211.07544	2.0
213.05345	1.5
214.06270	14.4
217.06458	2.1
218.07269	18.6
219.08063	39.0
220.08838	19.1
221.05986	15.1
221.09569	4.5
222.06805	2.9
223.07593	4.3
223.11223	3.9
225.09088	2.2
229.06366	2.2
229.08609	28.2
231.08008	3.9
233.06015	5.8
233.09613	3.1
234.06778	7.8
235.07524	35.4
236.08342	28.3
237.09158	7.4
238.06313	2.6
238.78806	1.6
239.07047	2.6
246.06773	6.2
247.07524	22.7
248.08324	8.6
249.05554	12.0
249.09143	9.8
250.06258	5.8
250.09865	3.6
251.06932	2.2
251.07861	2.3
251.10690	40.6
251.45247	1.4
252.11024	1.9
253.08676	8.1
255.17747	1.4
261.09119	5.1
262.06317	4.0
262.09827	1.5
263.07053	18.5
264.07825	53.9
265.08588	20.3
266.08777	1.6
274.06171	1.4
275.07083	8.4
276.07556	3.3
277.05692	2.4
277.08618	11.7
278.05960	2.0
278.09366	11.1
279.10144	37.2
280.10797	5.3
281.08194	16.6
282.08548	2.4
283.13293	2.5
289.08609	2.0
291.06531	3.0
292.07303	12.5
293.08099	14.2
294.08844	1.8
295.09558	2.1
296.10413	4.5
306.08838	5.4
307.09647	91.9
308.10355	22.3
309.07623	4.7
309.11151	3.0
311.12784	60.3
312.12967	2.7
316.74469	1.9
321.11142	2.6
324.09927	11.1
339.12274	100.0
340.12692	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	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03944	2.5
55.01871	10.0
57.03438	1.2
66.04719	1.9
67.05499	2.8
68.57103	1.4
69.03425	2.9
69.32156	6.3
75.37600	1.5
79.05492	4.3
81.03407	5.5
81.07063	3.6
85.02924	2.8
87.04470	2.4
89.03929	4.3
91.05481	10.0
93.07047	3.2
94.04176	6.2
95.04948	2.3
98.22633	2.5
102.04681	4.1
103.05469	8.0
103.06088	1.1
105.07030	8.6
106.04176	1.3
107.04987	3.2
109.02917	2.5
109.06539	4.2
115.05450	3.4
117.03362	8.1
117.07046	1.8
118.04143	2.0
119.04950	2.3
119.08590	1.7
121.06493	3.0
122.03661	11.6
129.07034	1.9
130.04181	3.5
131.04919	8.2
132.05721	2.2
133.06503	4.9
137.05977	67.0
144.05704	4.3
145.02844	17.6
145.06444	2.5
146.03638	9.6
147.04466	6.0
149.05986	10.4
150.03131	1.4
151.03900	2.5
152.06200	1.8
153.05513	2.2
155.04929	9.0
155.05981	1.7
157.06450	1.5
159.08037	1.7
161.05984	39.6
162.06787	9.5
163.04047	1.3
163.07535	3.5
163.78322	1.1
165.05489	23.4
165.06984	7.4
172.05247	3.7
173.05994	2.0
175.07567	10.7
176.06204	1.5
176.29321	1.2
177.05467	38.7
177.06993	3.2
178.05893	2.2
178.07785	2.3
179.08557	5.0
180.97733	1.2
183.04387	6.6
183.08014	1.3
185.05899	2.0
186.71518	1.3
187.07574	11.6
189.05492	2.7
189.06972	13.2
190.07797	18.0
191.06892	1.9
191.08551	25.3
192.09171	1.5
193.06430	2.7
194.07416	1.3
195.06416	1.6
195.08032	1.7
200.04684	3.0
201.07039	3.7
202.07751	5.6
203.08548	4.6
205.06541	9.9
206.07277	4.3
207.08052	12.9
208.08807	7.9
209.09669	1.7
210.06567	1.3
215.06949	20.4
217.06529	4.6
218.07251	36.4
219.08037	45.1
220.05423	1.8
220.08762	8.1
221.05971	9.3
221.09715	3.0
222.06686	3.2
223.07501	2.9
225.09081	1.6
228.05724	1.6
229.06473	16.8
230.07239	4.1
231.04457	1.2
231.08025	5.2
232.08746	1.8
233.06003	3.3
233.09579	8.7
234.06790	11.8
234.10376	1.8
235.07533	30.8
236.08321	19.5
237.09059	5.7
238.06248	1.7
243.07927	2.4
245.06038	6.8
246.06764	41.1
247.07527	40.0
247.10086	2.0
248.08197	8.3
249.05489	4.8
249.09070	12.7
250.06172	3.5
250.09848	5.5
251.07030	5.2
251.10692	17.0
252.11038	1.9
253.08632	3.9
257.05988	14.4
258.06683	5.8
259.07535	6.9
260.08173	3.0
261.09106	57.6
262.06503	6.4
262.09668	5.5
263.07031	25.0
264.07761	23.8
265.08569	13.8
266.09247	2.1
269.08020	1.8
271.07425	2.0
273.05472	3.3
274.06219	22.8
275.06995	19.7
276.07654	5.9
277.08606	24.8
278.09329	15.8
279.06842	3.0
279.10147	38.9
280.07397	2.7
280.10764	4.4
281.08148	6.6
288.07764	1.9
289.08563	63.6
290.09290	12.7
291.06531	11.6
291.09698	2.6
292.07199	6.7
293.08121	5.0
293.11688	4.7
294.08829	9.0
295.09637	8.4
296.10342	6.9
297.11206	2.2
303.10083	1.6
305.08188	1.8
306.08810	21.7
307.09622	70.8
308.10193	10.6
309.07889	2.2
309.11087	11.6
311.12738	23.2
321.11261	64.6
322.11591	4.8
324.10062	5.1
339.12265	100.0
340.12674	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	339.123
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01876	16.4
63.65813	1.1
65.03944	1.3
67.05504	2.1
69.03421	1.5
69.16245	7.9
79.05503	6.2
81.03433	2.2
81.07054	4.7
83.04961	1.4
91.05509	5.9
91.59313	1.0
93.07022	1.2
94.03683	1.1
94.04198	7.7
95.04987	1.9
95.08587	1.6
98.22575	1.5
102.04668	1.3
103.05473	7.6
105.03382	1.8
105.07037	7.6
107.04951	3.7
107.08582	1.0
109.06498	5.2
111.04471	1.2
115.05453	3.3
117.03405	4.1
118.04169	1.6
119.04960	2.2
121.06536	2.5
122.03673	11.3
125.05988	1.8
126.99253	1.3
129.06979	1.6
130.04153	2.2
131.04909	8.5
133.06487	3.8
137.05981	70.9
138.06361	2.4
144.05716	3.4
145.02873	3.7
145.06516	1.9
146.03653	9.1
147.04395	4.6
149.05972	6.0
150.03110	2.5
151.03926	2.2
155.04912	9.3
156.05711	1.2
159.08075	2.1
161.04997	0.7
161.05986	36.8
162.06725	6.6
163.07574	2.7
165.05496	51.6
165.06984	6.4
172.05219	4.5
173.62766	1.1
175.07504	1.7
177.05516	17.5
177.07004	2.4
177.61278	1.1
178.07806	4.2
179.07166	1.8
179.08595	4.9
181.06490	2.8
182.07140	1.3
183.04465	6.1
185.05907	1.6
187.07596	11.2
189.05437	2.0
189.06960	16.4
190.07762	21.7
191.08568	22.2
193.06474	2.6
193.10065	1.2
194.07234	3.0
195.08049	1.9
200.04654	2.2
201.07013	4.9
202.07794	9.9
203.06937	2.1
203.08621	5.5
205.06490	7.8
206.07281	4.9
207.08051	14.2
208.08821	6.3
215.06982	16.5
215.08694	1.8
217.06345	5.6
218.07272	43.8
219.08034	48.0
220.05222	2.9
220.08678	6.0
221.05965	7.8
221.09497	2.0
222.06766	2.9
223.07556	2.0
224.08318	1.5
225.09018	1.5
229.06444	23.0
229.08496	1.6
230.07211	7.7
231.07990	7.6
232.08713	2.1
233.06012	4.0
233.09610	11.0
234.06827	11.5
235.07521	33.5
236.08278	15.1
236.10469	1.5
237.05496	2.7
237.09122	4.2
238.06305	1.4
245.05922	5.8
246.04181	1.6
246.06783	47.8
247.07518	50.4
248.08318	9.7
249.05437	3.7
249.09123	12.2
250.06277	4.0
250.09802	5.6
251.07057	4.9
251.10674	8.6
252.07770	2.1
253.08586	4.0
257.05975	18.9
258.06702	10.6
259.07510	9.1
260.08182	3.0
261.09122	85.4
262.06281	6.1
262.09595	8.2
263.07040	29.1
263.10403	1.4
264.07828	24.1
265.08554	10.1
266.09155	1.7
269.08154	3.1
271.07690	1.9
273.05542	4.7
273.09000	1.6
274.06247	38.3
275.07004	28.4
276.07742	6.6
277.05420	2.4
277.08572	19.5
277.11456	1.7
278.09354	18.9
279.06866	2.7
279.10117	34.5
280.07565	2.6
280.10733	4.7
281.08096	2.9
284.10516	2.4
288.07724	1.6
289.08594	93.4
290.09290	25.1
291.06598	14.6
291.09875	3.2
292.07309	10.4
292.10645	1.7
293.08447	5.7
293.11780	5.0
294.08890	6.5
295.09671	11.4
296.10327	4.1
297.11288	1.8
299.30768	1.4
303.10031	1.3
305.08142	2.8
306.08878	31.8
307.09634	96.0
308.10077	10.7
309.07599	4.9
309.11282	5.1
310.07846	1.5
311.12769	11.3
321.11221	100.0
322.11499	8.1
324.09906	5.5
339.12292	86.7
340.12744	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	339.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73473	12.9
55.05503	33.7
64.85036	11.7
67.05505	29.7
69.07069	44.7
69.20919	100.0
79.05510	24.6
81.07056	51.1
83.08630	12.8
91.05486	35.5
93.07050	34.2
95.08591	54.9
105.07037	35.8
107.08615	36.3
109.10152	28.7
119.08645	21.6
121.10148	44.2
131.08582	21.1
133.10187	15.8
143.08585	18.8
145.10167	18.1
147.11803	15.3
149.02341	22.7
153.87238	14.5
159.11778	18.8
161.09663	20.2
175.11150	14.6
193.05011	26.5
201.16301	16.0
224.65674	19.2
252.39862	14.5
338.34134	29.5
339.18661	13.6
339.23132	26.0
339.27261	82.6
339.34494	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	339.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58741	0.8
55.05506	2.7
57.07066	3.7
62.98259	8.8
63.12114	0.9
67.05505	7.5
69.07056	3.0
69.49962	5.1
70.06582	1.3
71.08629	1.1
73.94551	1.1
79.05495	3.9
80.48264	0.8
81.07055	6.5
85.06556	1.4
91.05472	2.8
93.07053	5.3
95.08611	5.5
97.10155	1.4
98.23317	1.7
105.07018	3.0
107.08588	3.7
109.10155	3.6
117.07023	0.9
119.08615	2.1
121.10150	3.2
123.11701	1.8
131.01994	0.9
131.08606	2.2
133.10155	2.4
135.11703	2.9
145.10130	2.2
147.11671	1.2
149.02367	3.7
149.13278	1.3
157.10109	1.1
159.11708	3.1
160.93340	0.9
173.13310	1.3
193.04961	5.2
202.33403	0.8
224.65718	3.7
225.16039	1.3
229.19559	1.3
247.20580	3.4
256.26382	2.1
274.97614	1.1
281.40021	0.9
317.19586	3.0
321.18063	11.3
335.20593	3.0
339.19083	100.0
339.27542	14.7
339.77914	3.5
340.19370	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	339.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
69.85835	0.5
69.86179	1.6
78.26071	0.4
79.05479	0.5
81.07073	0.7
87.76236	0.5
91.05437	0.9
98.97587	1.0
116.98595	0.8
117.03387	0.5
131.35304	0.4
133.18211	0.5
137.05989	2.7
149.05975	0.9
153.05399	0.7
159.07866	0.4
165.07014	0.6
165.56274	0.4
177.05504	0.8
182.67017	0.5
185.05948	0.5
187.07545	0.7
189.06967	0.7
190.07692	0.9
191.08572	1.3
205.06459	0.7
207.08072	0.9
208.08705	0.6
217.06378	0.5
218.07219	2.2
219.08015	3.4
220.08716	0.9
221.05988	1.5
221.09491	0.8
234.06734	1.1
235.07545	2.1
236.08318	2.0
237.09052	0.6
244.71164	0.5
246.06717	1.2
247.07500	4.0
248.08113	1.1
249.05386	1.2
249.09041	1.2
250.06270	0.6
250.09787	0.5
251.07036	0.5
251.10645	1.8
253.08635	0.7
261.09222	1.0
261.92502	0.5
263.07034	2.0
264.07727	3.7
265.08563	1.3
266.09183	0.7
274.97571	1.2
275.07019	1.7
276.07779	0.6
277.08694	1.3
278.09323	1.4
279.10233	4.2
280.10590	0.7
281.08124	1.0
284.10904	0.5
289.08386	0.9
292.06979	0.9
292.98618	0.6
293.07837	0.8
295.09695	0.7
296.10416	0.9
297.07761	0.5
307.09619	7.6
308.10248	1.3
309.07608	0.9
309.11118	1.1
311.09317	1.0
311.12781	2.6
321.11301	0.9
321.20383	1.0
324.09799	1.5
339.12491	14.4
339.21399	100.0
340.12646	1.8
340.21823	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	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.05519	16.0
57.03439	6.6
57.07075	7.4
65.90318	2.2
67.05506	86.5
69.07083	11.7
71.05016	3.4
71.29646	2.3
79.05495	42.2
81.07059	100.0
81.65440	2.3
83.04977	5.0
83.08619	3.8
85.06539	2.7
86.57983	2.5
87.75800	2.3
90.11533	2.4
91.05479	29.8
93.07043	64.2
95.04976	3.9
95.08610	89.2
97.06532	2.3
97.10184	6.2
99.08062	3.5
105.04540	2.5
105.07031	27.9
107.08595	41.3
107.09277	3.0
109.06526	5.1
109.10162	46.0
110.10474	3.7
111.08117	2.8
116.98633	3.7
117.07035	10.3
119.08585	29.9
121.06513	2.7
121.10147	60.1
123.08084	3.0
123.11694	15.0
131.08562	18.8
131.57358	2.7
133.06549	3.3
133.10117	25.0
135.11691	31.4
137.09689	2.8
137.13298	4.3
139.11182	5.2
143.08578	3.3
145.10133	24.0
147.11697	27.7
149.13242	21.1
159.11668	20.7
161.13235	3.2
163.11157	3.1
163.14841	5.5
169.10063	2.9
173.13239	14.4
175.11221	8.3
187.14923	7.2
219.21021	4.4
229.19536	22.7
247.20567	75.1
247.23033	4.8
248.21002	5.5
250.53694	3.0
265.21771	4.5
274.97577	3.6
283.16937	52.4
284.17188	3.6
321.24246	9.6
322.27673	5.4
339.15738	53.6
339.19147	3.1
339.25922	16.7
340.15848	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01863	8.1
56.05022	1.9
56.78036	2.0
57.03431	4.4
58.63354	1.9
61.02919	6.9
68.44012	1.9
68.99783	4.1
69.03085	2.7
69.03432	37.1
69.07034	2.2
70.06599	3.2
70.56962	4.3
71.01300	1.9
71.04989	2.7
73.02913	4.6
81.02976	2.6
81.03418	20.1
83.04966	2.2
85.02908	100.0
86.03236	2.2
86.09699	6.5
87.00830	48.6
89.03908	2.6
91.05440	5.5
91.79214	1.9
97.02901	31.9
99.04441	12.1
103.05448	5.1
105.01871	81.4
105.07005	2.7
108.04426	2.1
109.02885	27.0
110.07159	3.9
111.04414	3.1
119.04926	7.3
120.08092	19.2
127.03916	70.1
128.04248	2.1
129.01836	4.1
129.07062	2.4
130.04181	5.4
131.04976	5.8
133.02831	7.3
135.04410	5.2
136.49855	2.3
137.05969	21.8
145.02863	4.9
145.04956	29.7
146.03427	3.5
147.04419	23.8
148.04755	8.8
149.05968	6.8
150.06726	8.3
151.03825	2.3
159.02892	7.5
159.04291	1.8
161.05992	7.2
162.06769	23.0
163.03893	4.9
166.08661	2.4
167.07111	2.3
177.05492	7.9
178.05879	5.9
187.03951	5.7
189.04004	2.6
207.07983	4.4
231.04970	17.4
235.07582	3.2
249.06073	5.5
250.05910	2.7
263.06989	4.2
277.08521	2.6
277.26563	2.4
291.06546	2.6
293.08081	4.9
308.09900	2.9
309.07745	2.5
311.09079	3.5
322.12781	3.1
323.08884	3.4
340.12973	4.7
341.13919	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	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01868	6.1
57.03429	4.9
57.27309	1.9
59.94423	1.9
61.02925	6.9
69.03435	40.1
69.42458	7.7
69.42870	6.7
71.05004	5.5
73.02915	5.8
81.03419	24.3
85.02907	100.0
87.00830	51.2
97.02892	35.1
98.03298	1.9
98.22633	2.6
98.74236	1.8
99.04469	12.6
99.97183	1.8
101.02342	1.9
105.01868	75.1
108.04517	2.6
109.02885	22.3
117.01873	2.8
127.03919	72.3
129.01843	2.7
133.02835	2.2
137.05994	4.4
145.04961	29.9
149.02290	1.8
151.03911	2.5
159.02921	14.0
163.03906	3.2
184.68367	2.0
189.03868	2.3
213.04105	2.2
231.04990	19.0
248.08041	2.2
249.06003	3.5
251.07423	2.0
269.61575	1.9
316.92813	1.8
341.13550	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	341.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36910	13.6
69.03435	19.7
70.06590	57.4
71.30716	15.3
71.31071	14.3
79.73827	14.2
85.02901	49.5
97.02893	31.6
110.07163	17.9
116.07087	20.8
119.57481	14.5
127.03916	24.8
145.05055	21.2
209.09280	21.8
225.01260	87.3
341.06363	51.5
341.11539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50349	52.1
70.06603	89.4
70.96469	65.2
70.96793	82.6
71.87983	53.7
73.04718	63.5
76.26145	53.3
78.78599	51.5
80.52819	65.5
85.02916	62.3
95.56084	69.0
98.97603	84.2
117.84861	54.5
119.74219	53.6
145.90385	56.6
150.11162	55.0
217.87160	52.5
219.01727	61.7
237.02861	100.0
341.06296	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0869
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
51.04569	0.2
53.03945	1.4
55.01878	2.1
57.03438	1.9
59.05000	0.3
59.11456	0.2
61.02909	0.9
67.01853	0.3
68.99780	1.1
69.03431	10.7
69.07039	0.2
70.06570	0.4
71.01337	0.8
71.04658	0.3
71.05003	4.4
71.05380	0.6
71.11687	0.5
71.17569	0.3
72.08125	0.4
73.02922	0.7
73.04752	0.3
75.04466	0.3
77.03934	0.3
79.05489	0.5
81.03423	13.5
81.07032	0.9
83.06097	0.8
85.02892	1.3
86.09705	0.4
87.04459	0.4
89.03912	0.8
91.05436	0.7
93.07010	0.5
95.04946	0.8
97.02901	0.6
98.27810	0.3
99.04458	4.0
99.08086	0.7
105.03354	0.4
106.06573	0.5
107.04958	0.7
109.02848	0.6
109.06490	1.0
111.04430	1.0
115.05476	0.3
117.03350	0.7
117.05477	1.0
117.09142	2.9
119.04941	0.4
120.08090	0.3
121.08401	0.3
122.03624	0.4
123.04427	0.7
127.03917	0.5
127.07560	1.6
129.06967	0.4
131.04932	0.4
133.02861	2.1
133.07602	4.2
134.03661	0.4
134.05995	1.1
135.04439	1.5
135.09134	0.6
137.02327	0.4
137.05988	2.9
145.02841	0.7
145.04999	0.5
147.04388	0.8
148.06398	0.4
151.03883	0.6
151.07521	0.4
155.03421	0.5
156.05713	0.4
157.06412	0.3
160.07576	0.4
161.02373	0.5
161.06090	0.5
161.07115	7.2
162.03030	0.2
162.06781	0.4
163.03896	5.5
163.05144	0.4
163.07455	0.4
163.08643	4.2
163.09734	0.5
165.06993	0.4
167.06943	0.3
175.07587	0.4
178.07408	0.7
179.03398	100.0
180.03754	3.6
180.10211	2.6
181.04991	0.6
182.12894	0.8
187.07553	0.8
189.06584	5.0
189.09111	0.4
190.06944	0.3
191.08170	4.3
203.08478	0.4
206.06876	0.4
207.07655	71.8
208.08014	2.8
211.07564	0.3
217.08560	1.2
219.07796	0.5
221.05977	0.5
221.09265	0.5
231.07721	0.6
235.07278	0.3
239.07164	0.3
247.10754	0.5
248.08391	0.4
249.05490	0.3
249.08737	0.8
263.07013	0.3
263.10693	0.5
267.06540	0.4
287.10187	0.4
291.10242	0.7
295.05951	0.6
305.11230	1.6
309.11292	0.3
323.12393	22.7
324.12784	1.6
341.06647	0.8
341.13464	16.0
342.13907	1.2
352.98575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	3-O-beta-D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
51.02388	0.5
53.03950	0.5
55.01860	1.0
55.05512	0.7
55.88905	0.3
56.05013	0.3
56.96568	0.3
57.03426	0.7
59.04985	0.3
61.02922	0.9
61.74441	0.3
66.24001	0.3
67.05489	0.8
68.99775	0.3
69.03436	2.4
69.07055	0.5
70.06580	1.0
71.04967	0.8
71.30930	0.3
72.08150	0.7
73.02919	0.5
73.04749	0.6
79.05498	0.7
81.03421	1.4
81.07055	0.6
83.04982	0.5
83.06089	0.5
84.04491	1.1
84.08150	3.6
85.02909	7.3
86.06038	0.5
86.09716	0.4
89.03898	1.2
91.03928	0.5
91.05378	0.5
91.05801	0.8
93.07040	0.4
95.04960	0.5
97.02897	2.3
97.06522	0.3
98.97598	0.5
99.04468	1.0
101.06025	0.3
105.03379	0.8
105.07025	0.7
107.04954	7.4
109.02869	0.9
110.07167	0.5
111.00779	0.3
111.05563	1.5
115.03938	0.5
115.05407	0.3
116.07009	0.3
117.03365	1.0
117.06981	0.3
117.09139	0.6
120.08102	0.5
121.02840	0.3
121.06519	0.5
121.63016	0.2
122.03598	0.3
123.04431	10.3
124.04816	0.2
127.03908	2.3
127.07618	0.3
129.01833	0.5
129.10246	0.3
132.08070	0.4
133.02856	10.3
133.06607	0.3
134.03206	0.4
135.04396	3.0
137.02347	0.4
137.05971	3.0
145.02827	0.8
145.04950	2.7
147.04391	0.6
149.02255	0.3
151.03902	4.2
157.06096	0.8
161.02376	0.5
161.05933	0.5
162.06731	0.5
163.03897	3.7
163.06017	0.8
165.07054	0.6
171.02898	0.3
175.07541	0.3
175.12254	0.3
175.93697	0.2
178.08632	0.7
179.03394	100.0
180.03737	3.8
180.06479	0.5
180.10100	0.4
187.07570	1.0
187.55084	0.3
189.03894	0.6
199.12444	0.3
203.11790	0.3
207.07678	0.5
214.90298	0.3
217.08543	0.4
219.08263	0.3
221.05974	0.5
249.05516	0.4
249.09970	0.3
249.12265	1.5
267.06570	0.5
275.07672	0.4
277.15497	1.3
290.79498	0.3
305.11118	0.3
309.11063	0.4
311.12714	0.4
323.12781	1.7
329.05563	0.3
341.08945	0.4
341.11935	3.4
341.17554	0.4
342.15125	1.0
359.02802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1021
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01874	61.2
56.96548	1.8
65.03932	5.4
68.02638	1.6
69.03403	1.6
69.08569	10.1
79.05480	3.8
81.03397	1.8
83.04971	1.8
85.02909	2.3
91.05414	3.3
93.03398	3.2
93.07015	1.7
95.04975	2.7
96.02094	3.9
98.23367	3.1
103.05458	4.1
105.07034	10.4
107.01310	1.8
107.04941	2.7
107.08488	1.6
111.04449	16.5
114.59204	1.4
115.05449	12.9
117.06988	2.7
118.04146	2.2
118.97047	1.1
119.04943	1.8
119.08522	1.3
121.06514	2.2
123.04427	2.1
128.06230	1.8
129.07005	2.2
130.04094	1.5
131.04976	6.7
133.06480	22.4
134.06842	1.2
137.05962	5.8
139.03937	8.3
143.04878	1.8
144.05681	2.5
145.06454	9.5
146.03600	2.6
146.07210	2.0
147.04424	3.5
147.08020	1.7
152.06209	2.9
153.05530	1.7
153.06976	5.8
154.07724	2.5
156.05652	1.7
157.06506	2.5
159.04366	3.8
159.08044	2.1
160.05106	2.9
161.05966	29.9
162.06667	1.8
164.06233	1.6
165.06972	14.9
166.07806	2.1
167.03419	5.3
167.07188	2.0
167.08479	2.9
168.05698	5.0
169.06462	2.6
170.03630	3.5
171.04340	2.7
171.05637	2.0
171.08105	3.3
172.05249	2.4
173.05995	11.6
174.06755	11.1
175.07542	5.8
176.06160	2.0
177.06978	2.5
178.07805	3.4
179.08528	3.1
181.06444	20.5
182.07289	8.0
183.08054	2.4
184.05159	3.3
184.77666	1.5
185.06006	4.7
187.03923	5.0
187.07559	4.3
189.05469	49.8
189.07079	2.2
190.05807	4.3
192.05637	6.8
193.06459	7.8
194.07237	4.6
195.08041	5.1
196.05275	2.2
196.08803	1.4
197.06000	4.0
197.09641	3.2
198.06619	2.4
199.07489	6.8
201.05475	24.9
202.06192	14.8
203.06929	7.7
205.06464	6.5
206.07263	3.2
207.08034	5.2
208.05228	1.6
209.05989	16.6
210.06755	22.0
211.07515	8.7
212.04700	2.4
213.05470	3.8
213.09018	3.1
217.08533	2.4
219.08049	2.1
220.05203	9.1
221.05991	16.1
221.09459	1.4
222.06744	4.2
223.07549	6.6
224.04648	1.5
224.08331	7.7
225.05473	4.0
225.09061	10.7
226.06140	3.4
227.07001	20.1
233.05962	2.5
234.06702	4.9
235.07584	12.7
237.05458	18.6
237.09125	2.1
238.06197	14.2
239.06995	8.8
241.05014	1.8
241.08572	7.3
243.06546	8.9
247.07394	2.1
248.04710	6.3
248.07820	1.3
249.05489	13.6
249.09015	3.4
250.06186	8.9
251.07014	9.4
252.07819	16.7
253.04752	2.8
253.08598	39.7
254.05731	2.9
254.09128	3.6
255.06520	20.8
256.07190	6.5
257.08057	1.5
263.07040	33.7
264.07678	4.5
265.04974	15.8
265.07852	2.3
266.05692	9.3
267.06528	20.8
267.10132	8.4
268.07083	2.3
269.08099	5.6
270.08890	6.6
277.04956	5.8
277.08350	1.9
278.05722	3.5
279.06470	5.9
280.07291	21.0
281.08084	37.2
281.11243	1.9
282.08771	7.0
283.06073	13.0
283.09052	2.6
285.08087	2.2
285.11099	7.4
286.08429	2.9
287.09146	7.8
291.06537	7.0
291.09821	2.1
292.07327	6.6
294.05200	2.9
294.08618	1.3
295.06000	4.9
295.09647	15.8
296.10065	1.5
297.07562	2.5
298.08392	10.5
308.06662	2.2
309.07593	50.2
309.11087	3.8
310.08258	19.9
311.05496	2.1
311.08990	3.0
313.10657	23.2
314.11050	2.1
323.09140	39.9
324.09402	2.7
326.07758	4.1
341.10184	100.0
341.13602	6.6
342.10663	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	341.1021
Annotation	Cornigerone
Peak:m/z	Relative Intensity
51.73144	2.8
55.01876	61.0
57.80021	3.2
65.03940	6.5
69.03421	4.2
71.31596	5.2
79.05509	6.9
81.03370	4.1
81.07050	9.2
85.02917	9.1
91.05453	6.1
93.07031	4.9
95.08657	4.7
100.11250	3.1
103.05483	6.1
105.07036	12.4
107.05004	3.2
111.04466	16.8
115.05455	12.6
119.04940	4.7
121.06523	4.2
123.04441	3.3
124.40988	3.6
127.03923	4.6
129.07037	5.4
130.04089	3.1
131.04953	10.4
133.06488	22.5
137.05981	23.3
139.03876	9.6
144.05809	3.9
145.06517	7.0
146.03632	5.0
147.04457	6.4
152.06152	3.0
153.05594	4.6
153.07022	9.6
160.05168	4.5
161.05971	31.9
165.07002	13.0
165.67393	3.2
167.03410	5.3
167.07085	9.4
167.08459	3.6
169.06448	3.8
171.05618	4.7
173.06000	10.2
174.06784	12.6
175.07545	12.1
177.07074	4.2
178.07861	6.7
179.08592	4.4
181.06577	11.9
182.07297	5.6
183.08067	7.1
185.06068	5.2
186.03055	3.2
187.03848	3.4
187.07625	11.3
189.05479	45.1
191.08501	3.4
192.05690	5.1
193.06555	7.3
194.07280	6.4
195.08096	5.2
197.05978	5.1
199.07529	7.7
201.05414	19.3
202.06261	13.9
203.07001	4.9
205.06470	6.3
206.07297	4.5
207.07990	6.3
209.06001	11.9
210.06741	25.2
211.07503	10.2
220.05226	6.2
221.06001	24.8
222.06792	7.2
223.07463	6.5
224.08348	9.6
225.09160	10.3
227.07025	25.8
235.07497	16.9
236.08292	4.1
237.05426	18.4
238.06281	19.6
239.07030	8.5
241.08618	7.7
243.06474	12.1
247.07503	5.5
248.04691	7.5
248.08282	3.8
249.05501	6.7
249.09164	7.3
250.06152	13.1
251.07083	11.5
252.07854	13.9
253.08621	37.7
255.06465	24.5
256.07349	6.8
263.07037	30.2
264.07794	4.3
265.04965	17.9
265.08334	3.8
266.05881	9.3
267.06561	22.8
267.10089	8.5
269.07971	3.7
270.08908	7.9
278.05936	4.2
279.06467	7.8
280.07333	19.2
281.08081	39.6
281.11575	8.5
282.08752	5.5
283.06046	12.5
285.11188	12.3
287.09091	5.8
291.06543	7.9
291.09943	5.2
292.07297	5.1
295.09641	13.2
298.08438	9.5
308.06836	4.0
309.07562	52.5
309.11111	11.9
310.08286	19.3
313.07269	5.5
313.10602	26.9
323.09155	36.1
326.07813	7.1
341.10202	100.0
341.13797	19.5
342.10541	8.8
359.02756	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	341.1384
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01872	3.0
67.05499	2.7
69.03422	2.3
69.07074	2.2
69.23045	7.6
70.06596	1.2
71.05008	1.5
79.05494	4.6
81.04432	0.9
81.07057	3.6
83.04972	1.3
85.02905	1.3
86.33493	0.9
91.05466	10.6
92.05010	1.2
93.07039	3.1
94.04190	3.0
95.04965	1.4
97.02878	1.2
97.06500	0.9
103.05473	2.8
105.03416	1.1
105.07027	6.2
107.04964	4.0
107.08582	1.2
109.06547	1.6
109.10157	1.5
111.04482	1.1
115.05460	5.8
115.27634	1.0
117.07016	3.6
119.04955	3.5
119.08579	11.3
121.06512	3.6
121.10194	1.1
122.03630	8.6
125.05976	2.2
128.06206	3.3
129.07021	7.0
130.08722	1.0
131.04982	1.8
132.05684	7.1
133.02885	1.3
133.06470	3.4
133.10170	1.3
133.87610	0.9
135.04459	1.0
136.07484	1.0
137.05978	100.0
138.06319	1.3
145.06500	3.4
146.03577	2.4
147.04446	6.5
147.08057	10.4
147.99782	1.0
149.05978	3.5
149.09584	1.6
151.07545	3.5
154.08606	1.3
155.04877	1.6
157.06476	2.9
159.08055	1.8
160.05170	4.2
161.05984	23.9
161.33670	1.1
162.06694	3.6
163.03882	1.3
163.07524	2.3
165.06999	1.1
166.08673	2.4
167.07040	2.9
174.06789	1.4
175.07549	74.8
176.07854	2.2
177.05504	1.1
177.09088	6.2
178.07799	1.2
179.07047	2.1
181.06532	1.0
185.06012	2.0
187.07584	5.0
188.03441	4.2
189.07162	1.2
189.09122	3.0
190.07774	1.6
191.07071	1.2
191.08582	4.4
194.07246	1.1
199.07474	2.0
202.07747	2.9
203.08543	5.1
205.06525	1.8
207.08034	1.3
209.09660	1.1
211.07599	1.2
217.08609	4.5
218.07237	2.4
219.08099	7.5
220.08794	3.5
221.09575	2.3
223.07501	1.4
231.08054	7.1
232.08731	1.1
235.07423	2.4
236.08249	2.0
237.09068	2.0
247.07562	4.3
248.08270	4.6
249.09071	3.6
250.09666	1.0
251.06999	1.3
251.10645	5.9
254.08961	1.1
259.07559	5.3
260.08163	2.3
263.07132	1.3
263.10641	3.8
265.08582	3.1
276.07690	1.4
277.08405	1.4
278.09222	1.1
279.10086	6.9
280.10791	1.2
281.11694	3.0
291.06989	1.4
291.09995	4.8
292.10742	2.2
293.07855	1.1
296.10220	1.5
308.10370	1.1
309.11206	14.1
310.11774	1.7
311.09302	1.1
311.12756	3.7
313.14154	1.3
323.09488	0.9
323.12640	5.4
341.13727	21.4
342.14200	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01873	4.4
55.05515	3.0
57.03436	1.0
62.23256	1.1
62.53622	1.0
65.03959	1.2
67.05503	4.9
69.03432	1.6
69.07066	3.8
69.73025	3.6
69.73437	2.3
79.05493	7.7
81.07066	6.7
83.08614	1.8
85.02910	2.6
85.06532	1.9
91.05470	9.5
93.07043	4.4
94.04189	4.8
95.04974	2.3
95.08623	5.5
97.02880	1.1
98.22720	1.9
100.11260	1.2
103.05487	3.5
104.06309	1.4
105.07038	10.4
107.04943	3.3
107.08609	2.2
109.06506	3.4
109.10138	1.8
115.05452	6.2
117.07051	2.0
119.04967	2.8
119.08590	7.4
121.06523	2.9
121.10150	4.3
122.03630	8.9
123.11703	2.0
127.04018	1.1
128.06256	3.4
129.07002	6.8
130.04166	1.7
131.04889	5.6
131.08571	2.1
132.05733	4.6
133.06561	5.0
133.10144	1.3
135.04498	1.2
135.08060	2.2
135.11702	1.8
136.28763	1.1
137.05978	100.0
138.06363	2.5
145.04976	1.9
145.06534	2.4
145.10095	1.6
146.03606	2.2
147.04422	11.1
147.07043	1.1
147.08000	5.6
149.05984	2.9
151.07556	2.3
157.06424	2.2
159.04443	1.5
159.08069	3.5
160.05251	2.8
161.05983	18.8
162.06767	7.2
163.07603	2.4
167.07050	3.6
171.11725	1.3
175.07552	51.2
176.07990	2.4
177.05453	2.2
177.09119	3.1
178.07840	2.4
179.07115	2.0
179.08577	1.6
185.06067	1.3
187.07552	10.2
187.14774	1.3
189.07240	1.6
189.09169	4.2
190.07790	3.3
191.08551	6.9
199.07462	8.3
202.07784	5.7
203.08569	7.4
205.06503	2.4
207.08101	1.2
217.08626	2.9
218.07301	1.8
219.08058	10.1
220.08847	3.4
221.09570	2.4
231.08075	7.2
232.08798	1.9
235.07512	2.4
236.08261	2.2
237.08870	1.9
247.07594	4.6
248.08258	4.3
249.09085	2.0
251.10681	8.8
259.07535	3.6
260.08154	1.4
263.07095	1.3
263.10684	3.9
263.30283	1.5
264.07819	2.4
265.08560	2.0
276.07736	1.7
277.08649	3.8
279.10159	6.8
280.10803	2.1
281.08215	1.9
281.11703	2.6
291.10165	7.4
292.10925	3.0
293.07916	1.6
294.09012	1.1
295.09509	1.6
309.07895	1.9
309.11133	8.6
311.09262	1.8
311.12729	9.9
312.13068	1.0
323.09308	1.8
323.12698	6.1
326.11255	1.1
341.10037	2.7
341.13898	15.4
341.20712	1.4
341.24664	1.6
341.28464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
51.38443	2.3
53.03949	5.3
55.01868	7.3
55.05520	2.3
57.01344	2.1
57.03444	3.4
65.03934	4.8
67.05500	6.7
69.03437	3.8
69.07066	3.2
70.06620	1.9
71.05009	5.5
71.31187	2.8
72.08175	2.6
73.04742	2.4
75.29581	2.3
77.03930	3.4
79.05489	21.8
81.03431	2.5
81.07047	9.5
85.02907	5.4
86.09735	4.3
89.03932	3.3
91.05463	21.8
93.03400	2.1
93.07027	5.5
94.04176	5.8
95.04984	6.1
95.08601	4.9
97.02887	2.3
97.06529	4.5
102.04726	3.1
103.05463	13.5
105.03388	2.7
105.07032	25.4
106.23104	1.9
107.04938	16.3
107.08604	3.4
109.06525	5.7
111.04393	3.2
115.05450	9.7
115.67178	2.1
116.06269	2.8
117.03358	3.2
117.07041	4.9
119.04947	13.8
119.08582	8.6
121.02872	4.9
121.06524	9.3
121.10110	2.3
122.03661	7.5
123.04425	4.9
124.05267	5.0
127.03963	2.5
127.05560	2.5
128.06219	11.4
129.07007	36.0
130.04155	8.4
131.04942	19.6
131.08583	5.3
132.05637	2.5
133.02890	9.0
133.06462	14.0
133.10190	2.7
135.04427	5.2
135.08060	2.3
136.07449	2.2
137.05975	100.0
138.03192	2.6
141.07045	3.1
144.05684	7.8
145.06517	5.3
146.03595	3.2
146.07224	2.1
147.04417	17.8
147.08023	7.2
147.11707	2.5
149.05995	10.4
149.07074	2.2
150.06781	3.9
151.03925	4.2
151.07578	12.4
153.05501	4.4
155.04883	8.0
155.05991	2.3
157.06502	5.8
158.07358	3.8
159.04443	2.0
159.08035	20.4
160.05244	3.2
161.05977	42.0
161.09676	3.4
162.06732	23.7
163.03934	4.6
163.07492	10.2
165.05606	2.9
165.07042	3.6
166.08731	3.0
167.07071	31.8
167.08476	2.8
172.05238	6.5
174.06781	11.8
175.07547	27.8
177.05527	5.2
177.09151	5.4
178.06326	2.7
178.07806	7.9
179.07030	7.1
179.08429	3.3
184.05165	2.0
187.07532	73.0
188.03426	3.6
188.08005	4.4
189.07056	6.0
189.09152	14.8
190.07872	5.5
191.07027	3.9
191.08578	7.7
193.10071	2.6
199.07597	6.4
202.07745	9.4
203.08586	14.3
204.09030	2.4
205.06494	10.6
206.07236	14.3
207.08046	6.9
208.08862	3.3
211.07570	4.1
217.06674	3.7
217.08556	16.7
218.07291	7.2
219.08083	17.2
220.08873	8.1
221.06107	3.1
221.09543	15.8
222.06702	2.6
223.07573	5.2
231.08034	19.1
232.08800	2.3
233.06015	3.6
233.09584	2.1
234.06743	17.9
235.07454	14.8
236.08313	3.4
237.09082	5.8
239.06967	2.5
240.07819	2.6
247.07538	12.7
248.08290	12.8
249.09074	25.9
250.06244	4.4
250.09778	4.7
251.07040	14.6
251.10638	6.2
253.08557	2.9
259.07660	7.3
260.08249	2.5
261.05615	2.3
261.09094	2.6
262.06326	4.0
263.07156	5.2
263.10657	11.9
264.07880	4.7
265.08542	10.7
266.09387	5.9
267.10196	4.8
270.08792	3.2
271.09766	5.3
276.07831	7.0
277.08600	17.5
278.09317	2.7
279.06796	4.7
279.10208	14.5
281.08603	4.1
281.11707	41.9
282.12143	2.9
283.09644	3.6
291.06815	3.5
291.10056	19.4
293.08206	7.3
294.08862	8.0
295.09750	7.6
296.10452	6.3
297.11154	4.2
305.10135	2.3
308.10333	4.3
309.07526	3.0
309.11185	62.7
310.11655	7.9
311.09198	6.4
311.12766	13.9
313.14517	3.2
323.12674	22.9
326.11520	6.1
341.14108	43.3
342.14166	5.7
359.02753	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03949	1.3
55.01875	2.9
55.65406	0.9
60.84291	1.0
65.03928	1.6
68.26222	0.9
69.03425	3.2
70.06590	5.9
70.51316	2.0
73.04766	1.2
77.03937	1.3
78.04668	1.1
79.05506	5.5
81.03429	2.0
81.07063	2.6
85.02892	3.3
86.09705	9.6
87.85812	1.1
89.03938	3.3
91.05444	12.3
94.04179	3.0
95.04977	1.7
97.02923	1.7
99.04433	1.4
102.04695	3.5
103.05461	8.8
105.03398	4.2
105.07037	12.1
107.04969	4.8
109.06513	3.5
111.04453	2.0
113.30885	1.0
115.05441	4.9
116.07079	3.3
117.03397	2.8
117.07002	2.9
118.04209	1.9
119.04946	11.1
119.08604	4.0
121.06497	4.7
122.03648	7.1
123.04425	1.9
127.03892	2.5
128.06180	2.6
129.06985	4.9
130.04138	5.8
131.04948	10.5
131.08685	1.0
132.05713	4.0
133.02844	7.5
133.06497	9.1
135.04428	4.7
136.05258	1.0
137.05975	100.0
138.06302	2.6
141.06972	2.2
141.10213	1.1
143.06026	1.7
144.05716	2.4
145.06497	3.7
146.03630	4.8
147.04399	25.4
147.05479	1.9
147.08058	4.5
149.06001	8.8
150.06763	5.8
151.03931	1.8
151.07538	7.6
155.05992	1.1
157.06500	2.6
159.04483	1.4
159.08034	3.2
160.05247	1.8
161.05981	28.3
162.06769	21.3
163.03893	4.7
163.07541	5.7
165.05521	1.6
165.06979	1.4
167.07071	4.6
169.06519	1.8
171.04459	1.4
172.05153	3.4
173.05771	1.4
174.06847	3.0
175.07544	35.1
176.07899	1.3
177.05435	6.8
177.09131	3.6
178.07800	1.8
179.07010	3.8
179.08464	2.0
180.07861	1.2
181.06407	1.4
185.05965	1.6
187.03899	6.4
187.07533	18.3
189.07140	2.1
189.09129	6.1
190.07774	3.1
191.06992	2.0
191.08499	7.4
194.07263	1.2
199.07545	2.7
199.18047	2.6
202.07796	5.8
203.08543	9.1
205.06517	4.4
206.07240	2.4
207.07864	5.7
210.06567	1.1
211.07523	1.6
217.08557	7.8
218.07306	2.2
219.08060	13.6
220.08856	3.3
221.05962	1.4
221.09657	2.8
222.06761	1.6
223.07524	1.7
231.08034	11.0
232.08669	1.5
233.05995	2.8
234.06671	2.9
235.07555	4.8
236.08368	3.0
237.09097	1.8
247.07571	7.0
248.08270	7.7
249.09113	5.0
250.06303	2.2
251.06975	1.4
251.10701	10.4
253.08644	2.5
255.06523	1.5
259.07556	7.2
260.08279	2.2
261.09000	2.4
262.09833	1.2
263.07135	4.2
263.10687	7.0
264.07785	2.4
265.08600	4.7
271.09537	2.6
276.07748	5.5
277.08548	4.1
278.09216	1.3
279.10123	10.1
280.07190	1.5
280.10608	1.3
280.53586	1.2
281.08121	2.7
281.11694	1.8
282.12161	1.1
291.06610	3.4
291.10178	16.3
292.10760	1.7
293.08044	3.7
294.08704	1.2
295.09729	1.4
295.12878	1.4
296.10550	3.4
297.11252	1.8
308.10376	3.5
309.07806	2.0
309.11163	18.8
311.09314	2.0
311.12674	12.8
323.09167	4.0
323.12750	21.1
341.10184	1.9
341.13797	30.0
342.14423	1.8
359.02695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22842	1.8
51.64830	1.7
52.55403	2.0
53.03926	5.0
54.23554	2.0
55.01859	5.8
55.05501	5.1
57.03414	3.2
57.07053	2.1
58.02934	2.4
65.03928	4.7
67.05493	9.2
69.03402	6.6
69.07056	5.4
71.04987	7.7
71.30840	2.5
77.03915	3.1
78.04701	4.5
78.74690	2.0
79.05495	21.7
80.57497	2.0
81.03426	3.4
81.06645	2.1
81.07063	23.0
83.04956	4.8
83.08653	2.6
85.02881	8.5
85.06519	5.4
86.09700	3.2
89.03886	4.0
91.05474	27.5
91.09099	2.1
93.07051	11.1
94.04198	4.4
95.04963	16.2
95.08587	6.8
97.02859	2.8
97.06535	4.4
100.11251	5.8
102.04656	6.5
103.05466	10.4
105.07037	33.3
107.04955	34.5
107.08575	9.0
108.06702	2.1
109.02808	2.5
109.06517	11.9
109.10151	7.5
111.04446	3.4
111.08022	3.0
113.05960	2.2
114.09149	8.7
115.05505	12.9
116.06226	5.9
117.03334	2.2
117.07021	5.1
118.04156	3.3
119.04932	12.2
119.08538	6.1
121.06492	8.5
121.10106	3.3
122.03629	4.5
123.04415	8.8
123.08073	3.2
123.11679	3.2
124.05205	10.4
125.06004	4.6
127.07584	2.5
128.06206	17.1
129.07001	60.3
130.04144	11.8
131.04959	13.7
131.08539	7.1
133.02847	9.7
133.06465	18.2
133.10129	4.7
135.04442	17.4
135.08057	4.1
135.11708	2.4
137.05980	60.5
139.07437	3.1
141.06920	6.4
142.08604	5.0
143.08673	2.1
144.05702	13.3
145.04915	4.2
145.06534	9.9
145.10083	6.3
146.03604	6.9
147.04407	34.9
147.08037	2.1
147.11691	3.3
149.05981	16.1
149.09648	4.5
150.06770	31.9
151.03886	2.8
151.07495	9.0
152.04674	4.6
153.05499	12.1
155.04921	14.2
155.05968	5.2
155.07062	4.2
156.05705	6.8
157.06483	4.9
158.07288	2.4
159.04448	3.4
159.08044	42.2
159.11700	2.4
161.05978	43.7
161.09615	5.9
161.13269	2.3
162.06766	57.6
163.03876	6.1
163.07434	3.5
163.11171	2.8
165.05577	3.4
165.06992	7.2
165.12781	3.6
167.07048	77.6
167.08435	3.1
169.06453	3.1
171.11656	2.8
172.05167	6.8
174.06694	3.7
175.07553	15.7
177.05431	7.2
177.06915	3.3
178.06303	3.4
178.07735	20.8
179.06961	6.5
179.08495	6.2
180.07834	5.5
181.06458	4.3
182.15359	5.0
187.04015	10.4
187.07539	99.8
188.03439	5.0
188.07922	3.4
189.07059	12.6
189.08952	10.7
190.07729	8.1
191.07011	2.4
191.08508	14.9
191.10405	2.7
192.09230	4.0
193.10176	6.8
195.08011	8.4
199.07451	2.7
199.18024	2.9
201.05530	3.7
201.09061	3.4
202.07768	17.8
203.08516	24.1
204.09010	2.3
205.06480	18.6
206.04462	7.3
206.07237	28.0
207.08006	8.7
211.07526	4.5
217.06604	4.2
217.08513	4.5
218.07187	10.3
219.08052	19.9
220.08885	14.2
221.06088	2.9
221.09647	34.3
222.06680	3.1
223.07553	11.9
224.08060	2.6
225.09001	2.4
231.08028	19.6
232.08685	2.4
233.06038	10.0
233.09608	2.7
234.06754	33.3
235.07463	21.4
236.08205	2.8
237.09076	4.5
238.09972	2.0
239.07036	5.0
240.07755	2.5
245.05966	6.6
247.07491	9.0
248.08315	16.1
249.09093	59.8
250.06209	4.0
250.09718	8.5
251.06990	20.8
251.10684	4.0
253.12228	4.1
255.06421	2.4
259.07416	4.5
261.09128	2.5
262.06183	7.3
263.06979	11.5
263.10559	8.3
264.07861	2.3
265.05856	2.4
265.08646	14.7
266.09393	18.2
267.10086	4.8
271.09583	6.9
275.07037	3.6
276.07745	7.3
277.08612	31.0
278.05807	1.9
278.09283	6.8
279.06512	9.0
279.10110	8.3
280.10931	3.6
281.11713	94.9
282.08878	2.2
282.11963	8.7
283.09543	4.2
291.06448	6.8
291.10098	18.7
292.10565	2.1
293.08255	10.2
294.08783	14.5
295.09537	13.4
296.06784	3.5
297.10999	2.4
306.18777	1.9
309.07559	5.0
309.11200	100.0
309.21646	2.6
310.11768	17.7
311.09094	15.5
311.12488	3.5
323.09207	3.8
323.12686	8.4
326.11444	12.5
340.25626	2.6
341.13776	90.2
341.25891	2.8
342.14063	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	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
53.03958	1.1
55.01875	1.3
55.05500	2.3
56.29603	0.8
65.03932	1.8
66.04726	0.8
67.05508	4.0
69.03421	1.1
69.07061	2.6
71.05000	5.5
71.08596	0.9
72.60609	0.7
79.05478	3.8
81.07064	4.9
83.04979	0.9
83.08608	1.5
85.02908	1.4
85.06568	1.0
85.44506	0.7
91.05456	5.8
93.03408	1.0
93.07044	4.2
94.04176	3.2
95.04956	2.4
95.08610	3.7
96.47057	0.7
97.06559	1.0
97.10218	0.9
100.11255	1.8
103.05463	2.2
105.03378	0.8
105.07043	3.7
107.04924	2.0
107.08604	2.6
109.06516	3.4
109.10147	2.5
111.04411	1.1
115.05453	2.1
117.07047	1.0
119.04932	2.5
119.08565	2.6
120.52492	0.7
121.06533	1.1
121.10131	2.5
122.03645	8.1
122.07796	0.7
123.08029	0.9
123.11688	1.0
125.05984	1.1
125.09551	0.8
128.06221	2.1
129.07010	9.1
131.04929	3.3
131.08546	3.4
133.02858	6.7
133.06430	1.0
133.10114	1.8
133.21091	0.8
137.05972	100.0
138.06294	1.9
141.06990	0.9
143.04897	2.1
143.08553	1.7
144.05696	4.4
145.06468	2.5
145.10144	1.5
146.07225	0.8
147.04436	2.0
147.11693	1.4
149.05974	4.0
149.09575	1.0
150.55721	1.0
151.03902	3.3
151.07544	6.0
153.05486	1.3
157.06490	5.1
157.10158	0.8
158.07254	1.7
159.08035	1.2
159.11668	1.1
160.05171	3.5
161.05960	2.7
163.07550	2.4
164.04597	1.1
165.05466	3.5
165.06886	1.4
167.07060	1.4
168.05681	2.2
172.05228	3.9
173.05844	1.6
174.06737	8.6
175.07545	19.0
176.08214	1.3
177.05470	7.5
177.09108	2.9
178.07698	1.1
179.07018	4.5
179.08443	1.5
181.10143	0.8
182.15378	1.2
185.05977	2.4
187.07539	34.2
187.14731	0.7
189.09116	12.0
190.07700	1.7
191.06990	1.2
191.08546	2.8
192.09169	0.9
195.07939	1.5
196.05203	5.4
197.05904	4.4
199.07463	3.8
202.07715	5.1
203.08554	12.6
204.08949	1.1
205.06615	1.8
205.08589	2.0
207.08107	0.9
208.08786	1.7
211.07533	20.7
212.08015	1.2
213.05443	3.3
214.17967	1.7
217.06522	0.7
217.08565	15.9
217.10565	1.3
218.07104	0.8
219.08105	9.4
220.08813	8.0
221.05975	1.1
221.09515	3.3
223.07530	1.0
225.05444	3.2
225.09152	0.9
227.07022	7.3
228.07767	2.1
230.07335	1.0
231.08028	13.8
232.08804	4.8
233.06021	2.7
233.09599	2.0
234.06711	1.7
235.07562	1.9
236.08316	3.0
237.05504	0.8
237.09113	2.9
238.09851	0.8
239.07025	15.8
240.07771	13.8
241.04929	1.2
241.08382	0.9
247.07588	6.8
248.08327	20.3
249.05779	1.4
249.08986	3.9
250.06242	1.3
250.09792	1.3
251.07042	1.1
251.10675	5.0
253.08606	2.0
254.09259	1.7
255.06546	6.8
256.07303	9.5
259.07504	6.8
260.08234	2.3
261.09079	3.0
262.06305	1.3
262.09869	1.3
263.07318	1.2
263.10678	19.2
264.07803	3.4
264.10565	0.8
265.08588	6.4
266.09238	1.0
268.07294	4.6
269.08002	1.1
270.08865	11.7
271.09644	43.3
272.10004	2.9
273.08768	0.9
276.07828	10.4
277.08493	6.3
278.09198	0.8
279.10175	10.3
280.10886	2.2
281.08148	2.9
281.11731	4.2
282.08813	1.7
283.09607	10.1
284.10251	1.0
285.11221	1.4
291.10138	55.4
292.10645	6.6
293.08017	7.6
293.11322	1.3
294.08569	0.8
295.09717	1.3
296.10471	6.4
297.11169	3.7
300.10010	1.6
305.11615	2.5
308.10446	6.9
309.07773	1.2
309.10983	3.9
310.11853	1.0
311.12766	10.5
313.14453	1.6
323.12729	27.6
324.13068	2.4
341.10168	1.6
341.13837	21.1
341.21017	2.4
341.24850	1.3
341.28503	1.0
342.13919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.9
67.01123	0.8
67.05510	1.9
69.07068	1.5
71.30280	1.0
79.01046	0.7
79.05500	1.3
81.07062	2.9
83.08638	1.2
84.79429	0.8
85.02906	0.9
93.07026	2.3
95.04977	1.3
95.08628	2.5
99.04513	1.1
105.07058	2.9
107.08577	2.0
109.10135	2.0
116.68238	0.9
119.08591	2.8
121.10133	1.2
123.11765	1.1
124.78015	0.9
125.09569	1.1
131.08557	1.2
133.10162	2.1
143.08530	1.3
145.10126	1.5
147.11671	1.5
150.39703	0.9
157.10138	1.4
159.11749	1.1
173.13300	1.4
175.66299	0.8
177.12869	1.0
197.13254	1.5
197.68123	0.8
203.12782	1.1
207.11688	0.9
221.11455	1.0
278.79947	0.9
341.17258	100.0
341.20798	4.4
341.24536	2.3
342.17456	8.3
342.20880	1.1
354.56485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96207	0.5
62.97996	0.7
62.98259	8.9
66.25394	0.5
67.05497	0.7
71.31763	0.6
71.32199	0.7
79.05518	0.8
80.90202	0.6
81.07070	1.2
85.02928	0.6
91.05459	0.6
95.08609	1.0
97.10141	0.6
99.51851	0.6
105.07040	1.1
107.08627	0.7
109.10154	0.7
109.45292	0.6
119.08598	0.8
147.11659	0.9
161.93529	0.6
217.08189	0.6
259.15549	0.8
301.00699	0.7
301.20032	1.0
317.19675	0.8
319.21228	4.0
323.19595	14.3
324.19995	0.8
337.22223	3.7
341.20639	100.0
342.20828	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	341.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.3
55.01883	3.7
55.05514	12.0
56.29630	1.2
57.07075	6.0
61.02925	3.4
67.05508	15.3
69.03426	7.7
69.07058	6.7
69.07709	1.3
71.04984	5.7
71.08630	11.1
71.30441	2.2
79.05498	14.9
81.03432	2.0
81.07056	23.8
83.04987	3.2
83.08626	2.2
85.02901	6.7
85.06539	3.4
91.03956	4.0
91.05475	13.5
93.07050	26.4
95.04973	8.1
95.08605	17.0
96.05770	2.8
97.02898	17.2
97.06523	7.5
97.10169	1.8
99.04475	1.3
99.08104	5.2
105.07028	9.9
107.04971	1.9
107.08606	5.6
109.06546	7.3
109.10176	3.9
111.04440	19.5
111.08108	2.7
113.06010	4.1
115.03967	1.2
116.84695	1.1
117.06980	2.0
119.07888	1.2
119.08565	6.5
121.06523	15.7
121.10134	15.8
123.04456	4.8
123.08076	5.3
123.11719	3.0
124.05249	4.1
125.06007	2.1
127.03919	2.3
129.06970	2.5
131.08575	17.3
133.10150	4.7
135.08089	3.4
137.05983	3.2
139.11197	3.3
141.12746	1.2
143.08591	2.8
145.04987	2.3
145.10121	3.3
147.08044	3.4
147.11688	1.7
149.02339	4.3
149.09648	13.1
149.13332	1.3
157.10210	2.0
161.09634	2.0
161.13275	4.2
163.06055	3.0
163.11232	3.0
165.12820	9.4
167.10687	3.5
171.11630	3.1
179.14296	2.7
181.12239	100.0
182.12639	4.1
185.13290	1.9
189.12845	1.7
191.14461	1.9
193.04938	2.3
207.13834	2.1
212.96559	1.4
213.12712	1.3
277.21689	2.5
305.21082	8.0
306.21957	1.5
307.22626	3.1
341.06342	1.4
341.21136	2.9
341.24774	6.2
342.13773	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.9
57.03438	2.3
57.07075	15.5
61.02945	3.3
63.54758	1.8
66.22478	1.4
69.03418	7.9
69.46569	3.6
69.46973	6.5
70.06585	18.3
71.04997	1.4
72.08163	3.0
74.73209	1.8
79.05455	1.6
81.03429	2.5
81.07070	3.1
83.08621	3.6
85.02903	29.6
85.06570	1.9
86.09707	9.6
89.06026	37.8
91.03981	1.6
93.07063	2.2
97.02885	5.0
98.23260	2.3
101.09645	17.4
107.07071	41.8
109.10149	2.4
121.10175	1.8
127.03915	4.3
130.08647	12.6
133.02893	3.0
136.07526	2.0
137.05994	6.1
145.04953	9.2
147.93004	1.5
161.05945	2.0
162.03778	3.0
163.13292	100.0
164.13640	3.2
183.15074	3.0
212.41129	1.7
307.09497	1.7
342.13953	2.3
343.12387	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	342.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
57.07082	10.8
58.06594	1.5
62.06091	3.5
69.07095	0.5
71.08626	4.3
72.08148	2.3
85.02908	0.8
85.10170	1.2
86.28307	0.4
94.39930	0.5
97.13720	0.4
97.74631	0.4
156.17477	1.2
174.18575	4.3
184.20633	0.8
202.21652	2.9
212.23734	1.3
230.24757	4.0
240.23293	0.5
324.36237	1.2
342.09589	0.6
342.37314	100.0
343.37646	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	343.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51939	0.5
53.64667	0.5
54.98646	0.5
56.96569	27.4
57.03426	1.4
60.04529	0.9
61.02917	0.5
61.21979	0.5
68.16226	0.5
69.03446	1.3
70.06587	0.6
70.55591	1.3
70.55931	0.7
71.95274	2.6
72.08162	0.6
72.27268	0.6
73.02912	0.9
84.08130	1.2
84.96041	2.8
85.02901	1.7
97.02876	1.7
98.97591	100.0
101.05943	0.5
102.96941	0.7
107.97633	0.6
109.57538	0.7
110.97578	28.9
112.92290	1.8
112.99128	4.0
116.98632	49.4
117.98936	0.7
125.98627	1.2
128.98616	25.2
129.10254	1.0
130.93312	37.6
131.00195	3.6
134.99669	14.6
136.07617	0.6
140.00168	0.7
140.98695	0.6
143.00188	0.9
143.99702	1.0
144.94868	1.2
146.99670	9.0
148.94376	5.2
149.01247	1.1
150.98109	4.9
152.98613	0.7
153.00740	0.9
154.93288	2.2
155.01260	0.6
158.99686	2.0
162.94691	0.6
162.95914	2.7
165.00804	0.7
168.99225	22.7
170.99654	4.0
172.94359	23.5
174.95940	6.9
174.97389	1.1
177.00760	1.6
182.01628	0.5
182.99690	2.1
185.02431	0.6
187.00284	66.6
188.00662	1.2
189.00725	8.1
190.95410	20.0
192.96991	1.3
198.95927	1.2
201.00725	4.5
204.97043	8.6
205.01332	32.9
206.02757	0.7
206.98528	0.8
207.01816	1.6
208.96452	5.9
210.01906	0.7
211.00285	8.8
214.95419	3.8
216.96997	4.0
216.98615	0.8
219.01756	1.1
222.98053	4.7
223.00316	5.1
225.01811	0.6
226.52252	0.6
229.01334	41.2
230.01665	1.0
230.98271	0.8
231.01804	2.9
232.96494	12.6
234.97949	1.4
234.99989	1.1
237.02858	1.0
241.01324	17.9
243.02966	0.9
244.96411	0.9
247.02397	8.7
248.96207	0.8
248.99248	1.9
249.02794	4.8
250.97485	6.3
252.03140	0.7
253.01323	5.8
259.02487	4.3
262.07809	0.6
262.97507	1.2
265.01706	0.7
271.02444	3.3
272.96051	3.6
274.97626	0.7
276.95694	0.6
277.05991	1.7
282.94489	0.7
290.97031	8.6
300.95279	7.5
301.03418	5.2
307.54077	0.7
308.98026	2.1
318.96426	12.4
319.04434	9.8
319.07886	0.9
336.97589	3.4
337.05417	3.7
343.04517	13.6
360.97717	1.0
361.05701	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	343.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.96566	29.0
57.03439	3.5
57.87334	1.4
60.04516	7.9
61.02928	2.4
69.03431	5.5
70.06593	10.7
70.49533	2.8
70.49867	2.6
71.05017	1.9
71.95237	2.4
72.08159	5.5
75.53543	1.7
80.37939	1.5
81.03423	3.9
81.07057	1.5
84.04501	1.8
84.08154	8.6
84.96033	3.0
85.02913	11.8
86.09714	2.8
87.04448	2.3
89.06031	6.7
90.29794	1.6
91.05447	2.6
97.02900	7.1
98.97584	100.0
99.97955	2.4
102.96873	3.0
107.04989	5.2
109.02824	1.6
110.97597	9.2
116.00111	1.7
116.07092	3.5
116.98625	55.0
117.98995	1.7
119.01921	3.9
119.04929	4.8
127.03934	5.2
128.98622	10.1
129.10271	8.8
130.93294	27.0
131.01900	2.0
132.96584	1.7
133.03467	1.8
134.99663	21.3
136.07578	15.7
140.98613	1.7
143.00162	2.8
143.01901	2.3
145.03503	2.2
145.04935	2.7
146.99660	4.8
147.04453	1.7
148.94365	7.1
153.00761	3.4
154.93321	3.5
155.01952	1.8
156.96674	2.3
157.03447	1.9
158.99680	3.9
161.01173	1.8
161.02997	1.8
163.08672	5.4
164.07077	2.3
172.94354	21.4
173.03012	2.1
174.96124	3.0
174.97662	10.4
176.97456	6.5
177.00775	7.3
181.09761	5.0
182.06792	2.0
182.08162	10.7
187.00269	6.2
189.00732	2.4
190.95404	23.3
192.98682	7.6
194.98463	4.5
197.06593	1.6
198.97581	2.6
199.02791	3.3
201.00916	4.3
204.97002	3.5
205.01419	5.0
208.96443	9.2
211.00034	2.8
214.95436	5.2
216.95366	4.0
216.96991	2.9
216.98703	21.9
217.98882	6.0
218.94937	3.9
218.98482	14.7
219.01872	12.1
220.02103	2.0
221.01639	1.9
221.05139	5.2
222.98026	3.5
223.02777	4.7
228.98798	1.9
229.01382	4.5
232.96422	21.5
233.03505	3.1
234.96355	12.2
234.99783	29.9
235.99849	5.8
236.95958	2.3
236.99478	23.7
237.02821	7.8
241.01482	2.6
241.03848	5.6
243.00267	4.1
244.96454	3.1
245.01892	1.9
246.97987	2.0
249.01248	2.3
250.97557	9.8
251.04439	4.6
252.97498	8.9
253.06361	2.0
256.96417	3.4
258.96530	9.3
258.99493	7.7
259.99899	2.3
260.95834	1.9
260.99564	2.2
261.03119	2.0
262.97064	1.7
270.99826	3.1
274.97412	9.8
275.97922	2.3
276.97598	27.4
277.00909	10.9
277.97617	2.6
278.00912	2.6
278.96777	5.2
279.00507	2.7
282.99893	4.1
286.97635	1.9
289.00818	2.0
290.97052	5.1
292.98471	4.8
294.98764	3.9
296.97888	2.2
298.97507	2.1
300.97690	41.5
301.01056	9.3
301.10953	1.9
301.97659	4.4
302.01004	3.8
317.98840	2.4
318.98709	74.3
319.02338	3.7
319.98746	6.7
320.97873	1.9
331.03564	3.3
334.92712	1.9
342.00009	2.3
342.98849	14.4
343.02295	2.8
343.07443	32.9
343.98969	3.0
344.07816	1.7
344.12750	3.2
360.95667	1.9
360.99707	25.4
361.07684	4.8
361.99713	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1236
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.92295	4.2
55.01881	8.5
57.03440	15.8
61.02927	11.9
69.03437	43.1
70.06602	10.6
71.05023	5.1
71.28950	4.7
72.08158	4.7
73.02938	8.3
75.24105	4.0
76.03656	4.8
81.03413	22.7
81.81427	4.6
83.04971	4.7
84.08167	5.9
85.02917	100.0
86.03244	6.9
92.32316	4.0
97.02913	32.9
98.97604	8.0
99.04474	8.5
101.00887	9.4
109.02895	18.3
119.01936	9.7
127.03930	53.0
128.04224	4.9
136.91751	4.5
143.01912	4.2
145.04997	36.1
146.05341	6.3
152.65179	4.1
153.35718	4.4
163.06027	8.4
181.07133	5.1
182.08290	4.8
199.08261	5.0
245.77194	5.5
307.08817	7.7
344.08844	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01859	2.0
55.05512	0.9
57.03439	3.5
57.07093	1.2
57.86919	0.6
59.05026	0.7
61.02922	5.2
66.56555	0.7
67.05514	1.1
69.03431	13.9
69.07069	0.8
70.06563	1.8
71.04979	2.6
71.31218	1.0
73.02914	2.9
79.05495	3.5
81.03431	5.6
81.07064	7.9
83.04987	4.7
85.02906	35.5
85.06551	0.8
86.09692	2.1
87.04448	2.3
91.03944	2.3
91.05459	3.3
93.07037	9.2
95.04970	15.3
95.08601	1.5
97.02892	11.0
97.06533	2.7
99.04444	2.7
103.03944	1.2
105.07040	7.1
106.02883	0.7
107.04968	2.3
107.08594	10.0
109.02867	2.6
109.06509	2.7
112.08699	0.6
114.05522	1.0
116.07115	0.6
117.07024	2.1
119.08593	4.1
121.06526	4.0
121.09306	0.9
121.10144	11.7
123.04444	0.8
123.08068	1.8
124.03950	2.5
125.05151	0.9
125.05997	10.6
127.03919	9.0
129.07079	1.6
130.07784	2.8
131.79453	0.7
133.06471	1.3
133.10165	1.1
135.08032	1.4
135.11705	6.7
137.05962	3.6
143.08595	1.3
145.04958	7.6
145.10126	15.9
145.83493	0.7
147.08049	2.0
148.08754	1.0
151.07527	1.2
161.09674	1.5
163.11182	100.0
164.11534	3.0
165.09097	1.0
167.07045	1.1
175.11189	1.6
181.12228	21.3
182.12709	0.8
183.10127	0.8
187.11143	0.8
193.12311	0.8
205.12280	2.2
223.13368	2.2
289.08377	0.8
299.12817	0.8
307.15424	1.8
343.12598	2.0
343.17419	0.8
344.21826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.83194	3.9
52.66467	4.1
52.82597	3.8
53.03941	6.2
55.01869	6.6
55.05513	17.8
57.03440	9.0
57.07072	10.0
59.05006	8.6
67.05513	37.0
68.13928	4.5
69.03426	12.2
69.07064	10.2
70.82847	11.3
71.04996	24.1
79.05501	27.7
81.03491	4.6
81.07055	43.2
84.91418	3.9
85.02247	3.8
85.06555	6.8
91.05490	50.3
93.07053	96.9
95.04977	59.4
95.08608	93.8
97.06541	13.9
99.65023	4.1
105.07030	86.2
106.86836	4.0
107.08591	66.0
109.06519	26.4
115.05443	10.0
117.07010	31.5
119.08578	34.8
121.06522	18.6
121.10151	21.8
123.08077	32.3
129.07004	9.8
129.35583	4.6
130.07809	18.3
131.08594	10.0
133.06508	5.0
133.10123	17.2
135.08066	29.8
135.11708	24.7
137.09576	7.7
142.08769	4.0
143.08540	16.8
145.10120	99.3
147.08058	16.1
147.11716	5.2
149.09576	9.4
151.07539	64.1
153.09125	4.6
155.08504	6.2
157.10149	9.5
159.11708	9.3
161.09644	12.7
161.13316	5.3
163.11194	74.4
163.12497	8.2
165.09102	26.1
167.08534	6.0
168.09441	5.2
171.11722	10.3
173.09608	6.5
177.09161	9.9
187.11121	9.8
189.12805	11.7
191.14359	4.7
197.13228	5.6
203.14346	12.8
207.13799	7.4
221.15343	29.6
233.15411	4.8
240.23218	15.4
263.16315	6.9
269.15665	5.6
286.19434	6.6
299.70828	4.3
310.86780	4.8
325.21515	14.5
343.22748	100.0
344.23026	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.42455	2.3
53.03942	7.0
53.10571	3.3
55.01875	6.5
55.05510	21.2
57.03437	8.0
57.07087	14.0
59.04995	5.2
67.05504	36.8
69.03436	13.9
69.07069	9.3
70.96014	2.5
71.05002	23.4
71.91700	2.8
72.27447	2.5
79.05499	26.6
81.03419	4.6
81.07060	33.3
83.04991	8.0
85.06538	5.9
91.05483	44.4
93.07051	89.5
94.07396	2.8
95.04977	66.3
95.08614	98.7
96.08977	2.6
97.06520	17.9
98.92117	2.9
103.05479	4.4
105.07035	100.0
107.04948	4.0
107.08595	64.5
109.06521	18.5
109.10155	5.7
115.05470	8.6
117.07027	37.2
119.08585	31.4
120.08904	2.9
121.06511	20.1
121.10155	18.7
123.08082	31.7
128.05328	2.6
128.06252	5.3
129.06982	5.4
130.07799	21.6
131.08588	14.3
133.06499	7.8
133.10129	19.4
135.08055	29.0
135.11690	21.1
137.05983	3.7
137.09625	7.8
142.07802	4.1
143.08533	17.3
145.10129	95.0
147.08034	17.2
147.11729	7.4
149.09644	7.3
151.07539	61.9
153.09152	6.0
155.08492	3.3
156.09439	3.7
157.10146	9.4
159.08009	5.8
159.11731	7.2
161.09650	12.7
161.13266	6.1
163.11188	78.3
165.09145	23.1
169.10213	3.2
171.11745	7.8
173.09659	7.2
173.13242	3.9
175.11240	6.6
177.09099	8.4
179.07059	6.8
181.10020	3.1
181.12291	3.6
185.13345	3.3
187.14809	3.2
189.12862	12.9
191.14447	4.3
195.11476	3.4
197.13245	5.8
199.11192	4.2
201.12599	3.7
203.14296	13.4
207.10135	3.5
207.11937	3.0
207.13760	6.1
209.13280	4.0
215.14243	4.9
221.15366	37.3
223.14737	3.9
225.16417	3.2
227.14250	4.5
241.15909	3.0
263.16458	9.8
269.15564	3.4
286.19287	8.4
287.20187	3.7
325.21582	12.6
328.19168	2.7
337.79681	3.0
343.22708	88.6
344.23117	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	6.6
55.01871	4.9
55.05516	18.6
57.03436	11.7
57.07072	15.4
59.05001	9.0
67.05508	34.6
67.06828	2.8
69.03435	13.3
69.07068	8.8
70.94143	7.3
71.04996	26.4
79.05499	32.1
81.03429	6.1
81.07054	33.8
83.04999	8.3
85.06551	4.7
85.69272	2.8
91.05490	47.1
93.07050	92.5
95.04973	63.1
95.08614	97.9
97.06532	19.0
103.05446	3.9
105.07035	97.3
106.07354	3.3
107.08601	63.4
109.06490	18.2
109.10165	7.3
115.05475	10.5
117.07034	41.9
119.04943	3.0
119.08588	43.9
121.06513	22.8
121.10156	23.1
123.08083	33.6
125.05996	3.8
128.06268	6.1
129.07001	6.7
130.07802	19.5
131.08574	9.8
133.06459	7.9
133.10129	19.0
135.08086	34.0
135.11699	17.8
137.09586	6.3
143.08577	12.2
144.09062	2.9
145.10129	100.0
147.08063	13.4
147.11700	7.0
149.09627	8.1
151.07552	57.3
153.09187	4.7
156.09315	3.3
157.10153	11.1
159.08110	4.0
159.11720	9.9
161.09628	15.7
161.13266	3.3
163.11183	72.3
163.63098	3.7
164.11557	5.6
165.09137	16.4
169.10152	6.0
171.11667	4.5
172.08809	3.4
173.09618	7.9
173.13306	6.8
175.11189	6.7
177.09044	5.7
179.07065	6.3
181.12204	4.2
183.11678	5.1
185.09654	4.1
187.11230	7.1
189.09171	3.8
189.12778	13.4
191.10721	3.7
191.14320	3.4
197.13329	4.9
199.11205	3.1
203.14410	14.8
207.10277	4.5
207.13783	6.8
213.12733	4.0
215.14441	4.0
217.12238	3.3
221.15335	34.6
223.14813	3.3
225.12738	5.1
233.15425	5.0
240.23184	4.4
263.16315	7.6
274.19180	3.6
286.19354	3.9
287.20102	4.2
307.20706	6.2
325.21518	15.8
343.18506	4.5
343.22684	91.3
344.23035	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05507	18.0
55.93104	7.2
57.07060	16.5
59.04982	11.4
67.05496	24.0
69.03415	9.6
69.49974	49.0
71.04984	31.8
74.80643	10.0
79.05476	29.6
80.02836	7.4
81.07054	33.4
91.05476	44.6
93.07055	71.6
95.04971	58.1
95.08620	82.3
95.25043	9.1
97.06544	13.7
105.07029	81.5
107.01713	7.8
107.08595	55.9
109.06472	12.5
111.07030	7.6
115.05447	11.0
117.07028	30.9
119.08572	30.3
121.06492	20.3
121.10127	20.3
122.09701	7.6
123.08061	21.1
130.07797	17.9
131.08575	10.7
133.10115	11.9
134.60724	7.7
135.08061	34.6
135.11665	18.0
143.08580	18.6
145.10153	91.3
147.08057	16.9
149.09592	9.9
151.07547	54.2
159.11711	8.2
161.09644	10.0
163.11166	86.2
165.09096	18.6
169.09982	13.6
189.12737	18.3
193.12257	9.3
203.14363	10.6
207.13875	10.6
221.15331	41.6
240.23283	14.7
263.16367	11.0
282.27905	21.7
325.21719	13.4
343.22659	100.0
344.64658	7.4
355.26535	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64014	0.3
53.03939	0.4
55.01869	0.6
56.51805	0.4
57.03430	1.3
59.46143	0.3
59.53843	0.4
61.02924	1.0
62.15340	0.3
62.66483	0.4
63.55400	0.4
65.03934	0.5
69.03431	3.9
69.04510	1.5
69.04928	2.6
69.49307	0.4
73.02913	0.8
81.03410	1.0
85.02905	16.8
86.09695	0.5
91.03944	0.6
91.05482	6.8
95.05010	0.6
95.94215	0.4
97.02879	3.7
99.04456	0.5
106.02941	0.8
109.02875	1.6
116.07111	0.5
119.04948	19.7
120.05257	0.7
123.04435	2.4
124.03963	1.6
127.03931	3.0
128.85573	0.4
145.04944	2.3
147.04410	100.0
148.04749	3.4
159.86028	0.4
165.05481	48.4
166.05884	1.9
180.08659	1.1
182.08163	0.6
213.51697	0.4
222.00787	0.4
296.53360	0.4
345.14902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25489	0.5
54.44304	0.4
55.01860	0.4
57.03446	1.0
59.28702	0.4
59.71045	0.5
61.02921	2.1
65.03948	0.9
69.03431	3.7
69.11007	0.5
69.12212	1.0
69.12608	3.9
70.06584	0.6
72.08146	0.7
77.74256	0.4
80.05050	0.6
81.03418	2.0
85.02911	16.4
86.03281	0.5
86.09708	1.3
91.03944	0.9
91.05480	5.5
92.05806	0.5
95.04948	0.7
97.02906	4.0
99.04453	1.1
106.02918	2.8
109.02878	1.5
117.09153	0.5
119.04944	19.9
120.05247	0.6
123.04441	2.0
124.03957	6.4
127.03915	2.4
145.04967	3.6
147.04414	100.0
147.76849	0.5
148.04739	3.8
159.62874	0.5
165.05482	49.7
166.05913	2.3
180.08676	1.5
188.99629	0.5
265.32968	0.6
294.06082	0.8
326.08911	0.5
345.15060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22566	0.4
51.02382	0.5
51.12709	0.4
53.03928	0.6
55.01869	0.5
55.95673	0.4
57.03437	1.1
61.02920	1.8
62.81619	0.4
65.95117	0.4
66.41685	0.5
69.03442	3.3
70.06598	1.0
70.66667	1.0
71.05008	0.8
73.02906	0.6
76.23051	0.5
78.03442	0.7
80.05029	0.6
81.03419	1.7
85.02908	16.3
86.09692	1.0
89.77703	0.4
90.25821	0.4
91.03959	0.5
91.05491	5.6
95.04974	0.8
97.02901	4.1
99.04483	0.8
103.04012	0.6
103.85265	0.5
106.02923	2.8
109.02870	1.3
109.06554	0.5
116.07084	0.7
117.09177	0.6
119.04951	18.7
123.04427	2.6
124.03960	5.6
125.57020	0.5
127.03906	2.7
127.07526	0.5
145.04977	3.0
147.04414	100.0
148.04745	3.5
165.05486	45.0
166.05827	1.4
180.08716	1.4
242.43900	0.5
261.99634	0.5
294.05927	0.8
344.09711	1.0
344.13788	1.1
345.15173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03425	2.3
59.05004	61.8
61.02922	2.3
69.03420	8.4
69.71063	4.5
70.06583	5.1
72.08141	5.1
73.02921	2.4
74.06050	1.4
77.06044	3.6
81.03409	2.4
84.04497	1.6
84.08142	3.1
85.02907	27.6
86.09716	3.6
87.04482	1.6
89.06039	21.0
91.03974	1.4
91.05486	4.7
97.02880	8.1
98.97555	1.3
99.04480	1.5
103.07584	66.6
104.07911	1.8
109.02866	3.7
119.04961	18.1
122.06035	1.9
123.04395	1.9
127.03903	5.3
129.10233	1.5
133.08626	10.0
136.07567	1.5
137.05931	2.8
138.05434	1.1
143.03194	5.8
145.04988	6.5
147.04408	89.7
148.04749	3.1
164.07050	7.1
165.05493	41.2
165.11232	100.0
166.11562	2.5
180.08723	1.4
182.04945	2.5
182.08134	3.1
202.06859	4.4
210.86942	1.4
228.44562	1.2
250.37575	1.2
316.26453	1.3
344.13370	13.5
345.15323	13.6
357.34528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59422	16.3
55.05510	82.5
56.05009	18.7
57.03424	18.6
57.90739	16.0
59.40155	19.3
67.05501	90.4
69.03434	22.1
69.07066	56.7
70.81973	28.2
71.04979	47.4
79.05491	74.0
81.03410	27.4
81.07056	100.0
83.04994	24.1
83.08617	69.6
85.02917	17.8
91.05492	67.8
93.07045	92.6
94.85562	18.9
95.04991	25.5
95.08608	86.9
104.99245	24.7
105.07039	49.4
107.04950	24.2
107.08582	61.6
109.06506	16.0
109.10166	35.0
111.08099	39.4
115.38352	18.6
119.08602	28.3
121.10151	62.3
123.08064	20.6
125.09618	18.7
131.08624	16.4
133.10081	36.4
135.11713	29.8
149.09627	44.9
173.11707	17.3
179.10669	18.0
198.46922	15.0
226.21742	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	29.6
60.42026	21.0
66.48277	19.5
67.05502	56.6
69.07066	66.2
71.30544	22.9
79.05502	48.5
81.07058	79.5
84.50245	16.2
85.02892	44.6
87.20103	18.5
89.45684	17.4
91.05504	39.8
91.80518	20.7
93.07036	42.4
95.04957	44.5
95.08614	56.3
97.06562	100.0
104.99280	22.6
105.07044	39.2
107.08627	41.6
109.06493	21.5
111.08070	21.2
115.07535	24.2
119.08598	34.9
120.42385	22.1
121.10173	53.5
133.10126	25.8
135.11726	33.5
145.05011	23.3
291.19748	23.8
345.20618	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	344.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.2
54.94212	13.6
55.05509	53.7
55.44284	15.4
57.03441	19.1
66.84483	14.4
67.05504	73.0
69.03423	30.9
69.07076	45.1
70.06590	20.4
71.05006	24.0
71.30531	18.1
71.68092	12.9
75.93958	12.8
79.05498	90.9
81.03440	29.8
81.07088	75.2
82.06602	15.0
83.05014	22.2
83.08636	34.0
85.02934	19.5
91.05495	58.0
93.07053	100.0
95.04981	38.7
95.08631	38.1
97.06532	22.9
97.10202	34.5
100.66089	14.7
105.07034	44.4
107.04967	19.1
107.08595	39.5
109.06529	46.9
109.10163	17.5
110.09662	14.6
113.06037	17.9
119.08572	29.6
121.10162	51.1
123.08038	16.6
125.09659	35.2
131.08557	23.5
135.08084	20.3
135.11670	26.3
145.10127	26.9
157.10150	25.7
159.11687	18.6
171.54944	17.9
290.21106	22.9
291.19531	23.8
326.23135	24.5
344.24371	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	48.3
57.03450	32.4
67.05503	91.5
69.03429	41.7
69.07063	63.6
69.88851	47.4
69.89241	70.3
71.04970	36.6
71.26601	23.3
79.05492	100.0
81.03418	47.7
81.07060	72.7
85.02921	35.8
91.05486	45.6
93.07052	62.1
95.04961	44.8
95.08617	46.1
97.06554	59.5
105.07058	66.5
107.08607	52.2
109.06539	40.6
117.07050	23.1
119.08581	27.1
125.09642	21.4
127.03915	32.6
131.08566	40.4
133.10123	28.8
135.08131	25.2
135.11685	20.7
137.05971	32.6
145.10130	49.0
148.32990	21.6
190.63470	22.3
262.98483	22.6
344.22983	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.2
56.96565	16.6
60.04531	7.8
60.05615	4.5
63.83144	3.3
67.05489	3.9
69.03423	6.4
69.83617	15.5
70.06598	36.6
72.08161	87.2
83.04984	6.3
84.08158	31.1
85.02897	10.3
86.09714	56.4
87.04463	4.8
91.05482	8.7
94.04136	3.9
97.02925	6.1
98.97597	18.0
107.04921	3.8
110.97589	4.8
112.08742	7.5
116.98617	16.3
119.04954	4.4
128.98628	6.7
129.10249	15.0
130.08665	6.4
130.93298	3.9
133.06107	14.7
136.07574	8.0
137.05983	30.9
144.10194	3.7
147.04431	16.3
147.11316	6.8
148.04758	12.5
165.05482	6.0
166.05795	9.4
167.06787	4.0
172.94322	10.5
175.11893	7.4
177.00720	4.5
183.06328	12.9
185.16490	30.1
187.10968	5.8
190.95404	12.2
201.04256	4.5
208.96432	6.1
213.16014	12.6
214.95230	4.3
232.96448	12.0
234.33209	4.1
237.02829	7.8
246.97954	6.7
250.97510	7.0
261.02991	5.3
344.98074	3.9
345.09399	100.0
345.15262	85.4
345.22238	26.5
345.25241	18.4
346.08704	5.3
346.15500	7.4
346.22202	4.3
358.38782	4.0
364.05243	5.3
366.18808	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	345.095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03037	2.2
55.05520	6.5
56.19425	2.0
56.96566	3.8
57.05806	2.0
57.35956	1.8
60.04539	3.4
60.05653	4.4
69.07091	3.0
69.89153	7.4
70.06599	38.0
70.58027	1.8
71.04973	2.1
72.08163	81.7
84.04519	2.6
84.08144	21.7
85.02892	2.8
86.03568	4.4
86.09714	100.0
87.05612	2.9
88.04033	1.9
91.05491	4.4
98.14416	1.8
98.97562	2.4
108.39983	2.1
112.08749	6.5
115.08736	2.2
116.07113	6.6
122.07186	2.8
123.04469	2.2
129.10260	12.8
132.04468	3.0
133.06110	23.6
136.07593	7.1
137.06009	7.3
143.11803	5.1
144.10275	3.4
147.11290	1.8
155.15883	1.9
158.09351	2.0
161.12917	4.0
175.11876	4.4
181.05057	5.8
183.06287	15.9
185.16513	49.1
210.16293	1.9
213.15985	16.6
243.01921	2.3
246.14572	6.3
260.07169	3.2
266.59818	1.8
302.12595	2.3
326.39597	2.0
328.20181	2.4
345.09576	41.3
345.11954	18.6
345.22247	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
54.19139	1.0
55.01879	1.3
55.05524	1.7
56.05041	3.0
60.05672	1.0
67.05526	1.1
70.06593	10.6
72.08157	10.6
79.05505	1.9
79.06058	1.0
83.06105	2.3
84.08149	5.2
85.02930	1.8
86.03578	1.9
86.09710	4.5
91.05495	4.8
93.07073	1.4
95.06104	2.0
103.05460	1.5
105.03411	1.9
105.07010	1.3
106.06548	1.5
107.04966	1.8
111.05561	5.6
116.07113	3.1
117.05844	1.2
119.04944	2.3
120.04454	4.2
121.06482	1.8
121.54179	1.2
122.03667	1.5
122.07139	1.5
123.04372	1.6
126.06655	4.0
126.11641	1.0
129.10243	5.1
130.05240	1.1
130.06540	1.3
131.04927	2.6
132.03453	1.4
132.04459	26.4
132.05478	1.4
133.02840	2.7
133.06528	1.4
134.06021	4.8
135.04424	7.4
137.04750	3.4
137.05989	12.0
140.59169	1.1
147.04440	5.3
149.05998	4.4
149.07120	1.2
150.05515	4.2
150.06778	6.4
151.06169	13.4
161.04770	1.2
161.06021	3.0
162.06792	3.4
163.07541	1.9
165.05434	1.8
166.05833	1.7
166.07249	1.1
173.94847	1.1
175.11938	1.7
180.21548	1.1
183.11243	1.3
194.06773	5.8
195.07619	1.6
202.02481	1.3
202.09682	2.6
206.06967	1.3
215.19867	1.1
231.07657	2.4
232.10779	2.5
242.09322	5.9
257.10349	6.5
259.11911	14.1
271.09726	1.8
284.11417	6.6
285.11237	8.4
302.12521	21.0
303.12656	1.2
327.12045	1.9
345.12683	100.0
345.21756	9.9
346.12949	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	345.1332
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
51.02381	2.8
53.05676	2.6
55.01875	4.4
65.03934	3.4
69.03426	3.7
70.03904	2.4
70.06582	8.6
71.04993	3.0
71.31602	3.6
72.08154	28.8
73.02925	5.1
77.30837	2.2
79.05500	4.8
81.07053	8.2
84.08130	5.2
86.09713	30.5
88.03992	5.4
89.03912	3.7
91.05486	26.5
93.07040	6.5
94.04192	3.7
95.04957	9.7
95.08614	3.5
98.50024	2.7
103.05473	87.4
105.03328	2.9
105.07012	8.9
107.04945	11.0
107.08546	2.9
109.06544	4.6
115.05428	4.8
117.03313	3.0
117.07012	7.4
119.04943	26.4
121.06504	12.6
122.03654	5.7
123.04449	9.0
123.13629	2.7
124.05183	4.4
127.08700	5.4
129.10231	6.0
131.04921	100.0
132.05225	3.4
133.02840	14.5
134.40314	2.6
135.04376	16.2
137.05975	92.6
138.09122	4.2
141.10187	2.5
142.08693	5.4
145.06493	8.1
147.04413	34.7
149.05083	2.9
149.05978	75.9
150.06793	19.8
151.03838	4.4
151.07538	4.3
157.06357	3.0
161.05966	20.1
162.06766	7.8
163.07564	9.6
167.07010	7.6
173.06050	17.1
175.07599	3.1
177.05550	13.2
179.06992	7.2
180.07764	3.5
185.05966	4.2
187.10776	20.8
191.07036	6.9
191.08585	4.0
201.12341	27.7
207.08110	3.9
215.10376	3.6
219.08003	4.3
221.06081	4.2
231.08130	3.6
241.08597	4.9
265.08505	4.3
266.36197	2.8
267.06396	3.0
267.10260	3.7
277.08597	4.1
282.08823	4.1
285.11380	13.6
297.11200	6.4
299.09109	8.9
300.89243	2.7
313.10556	7.7
315.12186	5.1
345.13602	5.4
345.22403	9.6
346.13947	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	345.1332
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
51.62096	0.7
53.03940	1.0
55.01861	2.6
65.03934	1.5
67.05500	1.2
71.04967	1.2
75.45042	0.7
76.38596	0.7
77.03908	1.0
78.04691	1.1
79.05509	6.2
81.07065	1.8
85.15733	0.7
86.09702	2.2
91.05485	11.3
93.07040	2.1
94.04190	4.1
95.04962	2.9
103.05476	3.8
105.03390	2.0
105.07035	5.8
107.04959	7.9
109.06504	1.2
111.03844	0.8
115.05431	3.0
117.07037	3.8
119.04932	6.8
119.08564	1.8
121.06527	2.8
122.03651	9.3
123.04407	3.5
123.08040	1.6
127.46303	0.7
129.07030	2.1
131.04926	3.1
133.02861	1.6
133.06488	4.9
136.05182	1.1
137.05978	100.0
138.03107	0.8
138.06302	2.9
145.06477	7.8
147.04402	25.2
147.08023	0.9
148.04863	1.0
149.05980	6.2
151.03926	0.9
151.07558	3.6
153.05499	1.8
155.04912	1.2
160.05154	0.9
161.05986	18.0
162.06775	1.2
163.07616	2.0
165.05510	1.5
165.06900	1.4
167.07054	19.4
167.08406	0.9
173.05988	8.9
175.07625	1.9
177.05415	1.1
178.07736	2.2
179.07034	8.4
179.08588	2.7
180.07771	1.0
181.06473	1.4
187.14391	1.7
189.07048	1.7
190.07834	1.2
191.07065	2.3
191.08636	2.3
194.07204	1.6
195.08078	1.4
202.07834	0.9
203.08646	1.3
205.06511	1.4
206.07320	2.0
207.07974	2.1
210.06764	0.9
215.13878	0.8
218.07262	1.4
219.08101	2.5
221.06100	1.3
221.09641	2.4
222.06680	1.0
223.07465	1.9
234.06691	2.2
235.07556	2.1
236.08276	1.4
237.09129	1.4
237.29390	1.0
239.10611	0.8
245.05893	1.1
247.07597	2.1
249.09210	2.7
251.07077	1.6
251.10616	1.3
253.08803	1.4
259.07587	0.9
263.06949	2.0
265.08643	2.1
267.10159	3.2
269.08081	1.3
277.08527	2.3
279.06354	0.8
280.07141	1.2
281.12103	0.7
285.11252	1.8
295.09656	4.6
297.11130	2.6
309.11029	1.2
312.09860	1.9
313.10712	2.9
315.12039	1.0
327.12430	1.9
345.13184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86505	0.5
60.89833	0.5
61.02908	0.5
69.03427	0.7
69.21770	4.3
70.06594	4.2
72.08149	4.8
78.03459	0.6
80.24697	0.5
83.04979	0.5
84.04496	0.7
84.08139	1.4
85.02897	2.1
86.09708	1.3
91.05476	1.5
92.05823	0.6
97.02898	1.1
98.22622	1.1
104.71884	0.5
106.02894	1.3
108.08120	0.6
116.07103	0.6
117.62574	0.5
119.04931	1.2
119.60719	0.6
120.05289	1.4
124.03954	5.0
127.03870	0.7
129.10240	0.5
137.05992	4.8
143.11778	0.7
147.04398	6.4
147.11351	0.5
148.04736	6.8
150.06761	0.6
159.65314	0.5
163.06052	1.2
165.05472	3.1
165.08929	2.1
165.10193	0.8
166.05859	3.7
183.09912	1.2
183.11346	0.8
183.58185	0.5
184.09744	0.5
203.05264	1.9
250.86894	0.5
266.76343	0.5
283.33456	0.6
287.11032	1.9
310.05646	0.8
327.14209	1.7
328.06921	0.9
345.15201	100.0
346.08517	0.9
346.15506	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63541	1.0
53.03934	1.6
55.01867	3.4
55.05497	1.4
57.03430	1.1
59.02147	1.1
67.05498	3.1
69.03427	2.0
69.07080	1.8
69.42669	1.6
69.43078	4.7
71.04977	1.5
72.08147	4.3
79.05499	4.8
81.03429	1.7
81.07069	2.8
85.02901	2.4
86.09706	12.4
86.44997	0.9
87.10018	1.9
89.37106	0.9
91.05487	8.6
93.07034	2.7
94.04190	4.3
95.04962	2.5
95.08601	2.4
97.06544	1.7
101.07242	1.0
103.05467	8.7
105.07025	9.0
107.04984	2.3
107.08585	2.3
109.02921	1.0
109.06539	2.8
109.10154	1.4
111.04417	1.3
115.05473	2.0
117.07028	1.6
119.08550	3.4
121.06478	3.6
122.03655	10.8
123.05598	1.6
123.08086	1.0
128.06224	2.1
128.27797	1.0
129.07008	2.3
131.04916	11.9
131.08557	1.4
132.05556	0.9
133.06496	17.2
135.08060	8.2
137.05977	100.0
138.06303	2.8
143.04918	1.5
143.75496	0.9
145.06454	3.0
147.04387	1.0
147.11610	1.3
148.08406	2.3
151.03928	7.3
151.07578	5.2
157.06464	1.8
163.07545	29.0
165.09041	1.6
165.10222	6.4
167.07130	1.3
169.08598	1.1
169.10077	1.3
171.08093	2.6
175.07509	3.0
177.09019	1.2
183.11298	4.5
185.16470	2.4
186.16806	1.9
187.14400	1.3
191.07091	4.9
203.07036	2.0
203.10565	1.0
235.11305	1.3
241.62991	1.1
263.10608	1.6
295.13263	1.4
298.71225	0.9
313.10672	2.9
327.12198	2.2
345.13669	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	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94385	0.9
69.48422	1.8
69.48814	2.4
70.06599	1.6
75.05517	0.7
79.05498	2.1
81.07030	1.1
83.04966	0.8
88.74551	0.8
89.61559	0.9
91.05482	3.1
93.07068	0.9
94.04198	4.0
95.04920	1.0
103.05470	9.5
105.07044	5.6
107.04977	1.8
109.06539	1.3
115.05448	1.4
117.07014	1.5
119.04965	0.9
119.08575	1.1
121.06506	3.0
122.03640	10.2
123.04288	0.9
129.07018	1.3
131.04926	10.0
133.02916	0.8
133.06499	17.2
133.07430	1.6
135.08060	6.8
137.05978	100.0
138.06308	2.6
145.06509	3.3
147.04535	0.9
147.08031	0.8
149.05933	0.9
151.07578	4.5
153.05515	1.0
157.06557	1.7
157.58842	0.8
163.07549	33.4
163.08926	1.6
163.13654	0.9
164.07930	1.1
171.08110	1.7
175.07538	2.6
189.09178	1.6
190.13203	0.8
191.07077	1.3
203.10735	1.2
204.06519	1.0
221.05971	1.2
235.07425	1.0
235.11299	1.3
253.08673	1.1
253.67181	1.1
263.10880	1.8
264.22049	0.9
277.57162	0.9
281.07892	1.1
295.13239	1.2
309.11758	1.0
313.10651	1.3
345.13403	2.1
346.21078	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.3
57.03446	1.0
60.05641	3.4
68.86382	0.9
69.03406	1.1
69.07054	3.3
69.96555	1.5
69.96944	2.4
70.06597	19.9
72.08167	4.9
82.99834	1.3
84.08145	2.0
85.02902	1.6
86.09714	63.7
87.10026	1.6
95.06075	0.8
97.02898	0.8
97.06534	3.7
98.22691	1.0
98.97594	2.1
100.02478	1.1
101.00884	11.1
101.87134	0.7
112.02457	0.9
112.08714	3.3
115.08686	1.9
116.07093	3.8
116.98631	1.4
118.03522	3.3
119.01929	24.4
120.01997	1.7
128.05557	0.9
130.09792	0.8
131.01857	1.7
132.10188	1.7
137.02936	4.4
140.08173	1.1
142.07146	2.9
143.11797	4.5
144.08699	3.6
147.07640	1.0
154.07146	1.2
155.05508	0.9
155.08064	0.9
158.09273	2.8
160.08174	4.8
162.09746	3.3
168.08693	2.0
171.14888	1.1
172.08203	15.1
172.94310	2.0
173.03017	0.7
173.06610	2.3
173.08200	0.7
174.04486	1.9
175.11923	6.0
177.00960	1.6
178.85626	0.7
183.05099	1.1
185.02922	0.9
186.09778	25.9
187.09833	0.9
190.09198	3.4
190.95381	1.4
191.04048	0.8
191.07669	1.9
196.08134	1.7
197.06627	2.3
197.10274	0.7
201.00969	1.6
203.02473	0.8
204.10829	8.6
208.10382	1.9
214.09261	39.1
214.95341	1.6
215.07623	2.2
215.09431	1.4
219.02039	2.4
225.17223	0.8
232.10320	100.0
232.96397	2.7
233.08575	1.1
233.10519	7.0
237.53214	0.7
239.15984	1.6
240.10818	1.5
240.14470	1.9
243.01976	4.0
250.97540	2.1
255.02126	3.9
255.11949	1.6
257.17169	3.4
258.15457	1.1
261.03149	1.6
267.15469	1.5
273.02997	2.0
273.16699	1.6
275.18188	3.6
285.16589	13.0
286.17010	1.7
303.17667	60.5
304.17953	6.7
310.18875	1.1
321.18643	6.7
322.18857	0.9
328.19794	2.0
331.68774	0.7
345.18243	1.6
345.22455	27.4
346.04819	4.2
346.22882	1.6
364.05994	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01871	3.1
55.05516	2.0
57.03436	1.7
60.05642	0.8
63.83311	0.7
65.03941	1.7
67.05507	11.6
67.05842	1.3
69.03429	2.5
69.07076	2.6
70.79211	0.7
71.04995	9.1
71.30962	1.2
74.06081	1.4
79.05497	13.2
81.03413	2.3
81.07058	12.0
82.07367	0.7
83.04993	1.1
83.08640	2.9
84.04531	1.2
84.08152	1.1
85.02908	2.7
85.06548	5.8
86.09722	7.6
91.05484	12.4
93.07047	9.5
94.04216	3.7
95.04971	2.5
95.08607	11.5
97.06543	3.3
98.51482	0.7
99.04476	0.8
101.06038	0.9
101.07164	1.2
103.05474	3.2
105.07034	8.9
107.04975	2.2
107.08623	5.0
109.06543	2.7
109.10155	5.3
111.08120	1.8
115.05458	2.2
117.07032	2.8
119.04952	2.5
119.08593	11.4
121.06538	4.1
121.10143	4.3
122.03660	8.8
123.04407	1.0
123.08069	9.3
124.04006	0.8
125.05972	0.9
125.09556	1.0
128.06212	1.2
129.07028	2.5
129.09138	1.5
131.04939	3.4
131.08548	4.4
133.02818	0.9
133.06517	3.5
133.10153	1.5
135.08044	2.6
137.05981	100.0
137.09573	8.6
138.06348	2.2
139.07526	1.1
141.09131	1.4
141.17039	0.8
142.12259	1.0
143.04927	1.0
145.06514	2.9
145.10141	2.7
146.11821	1.9
147.04407	5.1
147.08047	3.4
147.11713	1.6
149.05995	3.5
149.09628	1.6
151.07523	5.6
155.10738	1.1
157.10184	0.9
159.11743	1.4
160.41998	0.8
161.05986	8.9
161.13257	0.8
163.07556	4.5
165.05492	0.9
165.06973	1.2
165.09106	9.7
167.07072	3.6
171.11710	1.5
173.06015	2.6
173.78542	0.9
175.07587	3.1
178.07709	1.1
179.07040	2.3
179.08531	1.3
181.06476	0.8
183.10194	5.0
187.14403	6.6
189.07065	0.9
191.07062	3.4
191.08615	1.0
193.10281	0.8
195.08113	1.0
201.11272	5.9
205.06595	1.0
207.08145	1.2
209.09843	0.8
210.06810	1.8
215.13930	1.6
219.08139	1.1
221.06041	1.8
223.07744	0.9
225.09100	1.9
235.07471	1.6
237.09209	1.3
238.06288	1.5
249.09013	1.2
251.07048	1.0
252.07851	0.7
253.08539	1.5
265.08685	2.3
267.10275	1.4
277.08722	1.0
285.11313	2.8
291.19458	2.0
295.09714	1.9
297.11295	1.5
309.11279	2.3
309.20688	1.3
313.10696	1.4
327.12830	1.5
337.95499	0.8
345.13519	4.8
346.29419	1.2
364.02344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.01874	14.2
55.05516	16.1
57.03436	6.8
60.63578	2.6
61.02907	2.7
62.01567	2.5
64.61092	2.9
65.03936	4.4
67.05508	80.9
69.03431	11.7
69.07071	19.5
70.06590	3.1
71.04997	63.1
71.31297	5.2
79.05489	75.5
79.70701	2.3
81.03416	7.2
81.07059	68.9
83.04993	22.9
83.08624	9.4
85.02895	6.6
85.06538	12.6
91.05483	89.5
93.07045	100.0
94.07364	4.6
95.04966	14.1
95.08604	88.1
96.08953	2.9
97.06535	30.6
97.10158	5.3
99.08134	3.4
101.02380	4.8
103.05461	4.8
105.04530	3.4
105.07033	44.5
107.04935	6.9
107.08595	42.2
109.06529	15.8
109.10162	24.0
111.04443	5.2
111.08115	20.1
115.03940	2.8
115.05421	4.6
116.36230	2.7
117.07029	21.9
119.04927	2.6
119.08586	63.5
121.06501	7.9
121.10152	23.4
123.08073	42.3
123.11687	6.2
125.05984	7.9
125.09634	7.0
128.06248	4.3
129.07039	12.7
129.08263	3.0
129.09102	19.5
131.04979	5.3
131.08578	31.5
133.06476	8.3
133.10141	24.5
135.08083	10.9
135.11711	9.6
137.06001	40.1
137.09608	45.0
139.07513	6.0
141.06947	3.9
142.07797	3.8
143.08580	12.3
145.06432	2.9
145.10126	27.2
147.08044	11.2
147.11653	14.8
149.09636	6.0
149.13324	5.6
151.07536	20.1
153.05429	3.9
153.09167	4.8
155.08553	6.2
155.10670	6.4
157.10146	10.0
159.11726	14.7
161.05910	2.6
161.09676	5.5
161.13261	6.5
163.07565	10.2
163.11200	4.9
163.14888	4.0
165.06984	4.1
165.09145	14.1
167.07004	3.0
169.08603	2.9
169.10117	4.7
171.10324	4.4
171.11642	15.8
173.09697	4.0
173.13219	8.1
181.04970	3.2
181.06477	3.9
183.08060	2.9
183.10225	5.7
183.11678	5.3
185.13326	6.9
187.07445	2.7
189.12769	4.6
191.07091	5.6
191.10645	4.5
195.11795	4.4
201.11284	7.0
203.10748	3.5
211.14803	4.2
213.16423	8.2
225.09155	3.7
227.18007	4.2
237.16406	3.8
249.18385	3.9
255.17334	2.8
273.18573	14.3
291.19565	8.2
295.09796	2.8
309.20685	6.5
313.10596	13.7
345.13412	9.5
345.20404	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	346.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	2.5
56.96570	40.8
60.05658	2.2
62.35646	1.7
69.03465	1.9
69.07033	2.1
69.65867	10.1
70.06599	12.5
70.98116	6.7
71.06908	2.2
71.95258	2.6
72.08156	8.2
84.08130	10.2
85.02877	2.4
86.09701	25.7
87.10028	4.2
88.99196	2.5
97.02898	3.6
98.23228	3.1
98.97589	36.5
101.00883	5.4
110.97604	5.9
112.08691	2.7
116.07143	2.6
116.98628	12.2
118.90546	1.6
119.01923	8.3
120.01987	3.6
128.98619	3.8
129.10260	7.8
131.00079	2.0
134.99698	2.2
142.05389	3.1
143.01924	6.3
146.99605	4.4
147.11281	2.8
148.03891	2.7
148.07573	2.4
154.93256	2.7
158.04907	3.6
160.06476	5.8
161.02960	5.2
166.04990	3.5
166.08678	5.2
172.08220	4.3
172.94368	30.1
172.97574	3.5
173.08423	2.4
174.91060	2.2
174.97638	2.1
177.00819	1.9
184.06102	2.2
184.09726	5.0
186.09703	3.9
187.09940	8.0
188.06000	2.2
190.95425	21.4
190.98599	5.9
203.03928	2.3
206.07024	8.7
208.96527	5.3
214.09276	6.8
214.95398	37.9
214.97346	2.7
215.09442	10.0
219.01898	3.1
224.08089	6.6
232.10333	12.6
232.96463	100.0
233.10500	22.5
233.96780	3.1
234.09984	2.9
244.02191	2.3
248.08015	5.6
250.97534	43.9
251.00363	2.8
256.02182	4.5
259.01318	2.1
274.03024	2.5
274.97470	2.2
276.07526	2.4
286.05875	2.8
286.16818	4.5
303.17703	4.8
304.07184	2.7
304.17877	20.5
305.17462	3.0
305.97906	1.8
328.03787	14.4
345.22424	6.1
346.04901	88.4
346.08801	5.2
346.14838	8.2
346.18726	2.4
346.22858	6.9
347.05145	4.3
364.05878	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01872	5.1
55.05507	4.0
55.84516	1.8
55.89483	1.8
56.06147	1.6
61.02919	5.4
63.73085	2.3
67.05495	3.9
69.03420	8.0
70.35838	2.8
70.36187	3.7
71.04999	4.3
73.02908	2.7
79.05492	20.6
81.03423	3.9
81.07048	4.1
83.04968	6.4
85.02899	20.6
91.05478	33.0
92.13186	1.9
93.03396	7.5
93.07030	12.0
95.04961	7.6
97.02911	3.5
103.05443	4.4
105.04497	2.6
105.07014	13.5
107.04961	14.1
107.08608	2.1
109.06532	2.6
111.04435	3.2
115.05480	2.8
116.06256	4.9
116.20531	1.9
117.07012	4.2
119.08606	1.9
121.06503	30.1
121.10174	2.0
127.03884	2.6
129.06998	2.7
131.04988	2.5
131.08575	2.9
133.06487	3.0
135.08080	2.0
137.05966	5.2
138.06302	2.3
145.04922	3.0
145.10127	2.5
147.08006	2.1
149.05899	2.2
149.09619	100.0
150.09962	5.1
151.07553	2.0
155.27531	1.9
161.09659	2.5
181.12187	2.2
191.10699	9.3
311.15082	3.0
322.30392	1.8
347.13092	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
54.83440	1.5
55.01870	5.4
55.05508	6.2
57.03428	3.4
61.02933	3.2
62.82190	1.4
66.24664	1.3
67.05503	6.6
68.99776	1.7
69.03445	8.5
69.07066	2.8
69.60316	6.6
71.04996	5.3
73.02911	3.1
73.28263	1.6
76.54131	1.3
77.03915	1.6
79.05491	20.8
81.03419	4.6
81.07058	3.8
83.04987	6.5
84.08196	1.2
85.02908	21.8
85.06561	1.8
91.05477	37.1
92.05811	1.5
93.03419	6.7
93.07053	15.1
95.04974	8.0
95.08619	4.5
97.02895	3.8
97.06560	3.0
98.23278	1.7
99.04463	1.3
103.03978	2.5
103.05470	4.8
105.04500	2.5
105.07027	11.9
107.04953	17.1
107.08597	4.4
109.06507	3.6
111.04444	3.5
115.05462	3.4
116.06239	5.4
117.07010	4.5
119.08588	3.7
120.05706	1.9
121.06500	34.4
121.10136	2.5
123.08064	1.6
127.03945	4.4
128.06279	1.5
129.07016	4.4
130.07832	1.6
131.04933	2.4
131.08568	5.4
133.06483	1.7
135.08049	2.7
139.07564	1.7
145.04994	5.6
145.06531	1.7
147.08087	2.8
149.05933	2.1
149.09621	100.0
150.09944	5.5
158.56499	1.4
161.09651	2.0
163.11220	2.8
189.09109	2.2
191.10646	10.3
233.11630	2.0
311.14847	4.5
323.21432	1.6
346.20627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1974
Annotation	Val Leu Asp
Peak:m/z	Relative Intensity
55.05526	8.1
55.22266	0.8
56.05038	1.4
57.05820	1.0
65.69865	0.8
67.44418	0.8
69.07092	1.4
70.06591	2.7
72.08159	100.0
73.08485	3.2
74.06086	3.3
83.06107	1.2
84.04504	2.8
84.08132	4.6
86.09710	89.3
87.10033	2.5
96.87260	0.9
118.08675	2.5
124.60802	1.0
129.06650	1.2
129.10234	2.9
134.04472	1.2
173.12904	1.2
185.16498	56.8
186.16795	2.0
201.12428	1.2
213.15977	19.0
214.16356	1.0
247.12929	13.1
273.09406	1.1
315.07349	0.9
329.08319	1.4
346.11990	1.0
346.15659	1.6
346.22681	1.3
347.09338	8.5
347.16681	8.9
347.21167	1.3
347.22507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19290	53.8
62.29996	58.2
67.05499	81.8
71.16222	100.0
79.31364	55.4
81.07090	67.8
91.54000	52.0
93.07043	74.0
97.54881	60.1
102.93429	62.4
131.62355	58.0
149.13326	55.4
237.22787	60.1
275.20218	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09349	13.8
55.70136	14.5
59.59213	15.1
67.05512	54.6
69.11450	100.0
70.06586	23.3
70.34254	15.7
79.05491	37.6
81.07064	43.9
87.04472	28.9
88.51227	14.6
91.05502	45.3
91.82905	16.3
93.07045	46.2
93.64787	12.4
95.04963	15.0
95.08629	33.8
98.23316	26.9
105.07035	34.1
106.39351	13.8
107.08614	30.9
117.07027	24.5
118.25706	16.5
120.08158	16.8
121.10131	18.9
125.09627	14.8
130.08662	24.3
133.10172	18.0
147.11659	17.9
235.16974	22.7
275.20111	21.3
340.21957	16.5
344.83679	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	40.4
57.03438	15.6
57.07066	12.5
67.05504	100.0
69.07063	26.3
69.52077	30.9
71.04989	12.9
71.08640	9.6
79.05495	55.2
81.03458	11.8
81.07065	77.4
83.05008	15.7
83.08642	17.5
85.10165	10.8
91.05473	40.2
93.07057	61.0
95.05001	30.0
95.08621	76.0
97.10171	14.7
105.07034	34.5
107.08598	36.9
109.10168	39.1
111.08077	11.6
113.09648	13.8
117.07082	11.8
119.08568	29.9
120.70322	9.4
121.06509	10.8
121.10135	49.5
125.09635	14.7
131.08559	16.0
133.10095	35.2
137.09563	10.2
139.11218	20.0
149.09644	16.7
160.15158	9.3
164.40932	9.4
173.11734	20.8
180.89586	10.1
275.20200	11.0
346.25964	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	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36578	0.2
55.05524	0.4
56.05039	0.4
56.12522	0.1
56.30730	0.1
57.07078	8.7
58.06606	1.8
58.07401	0.2
60.04526	0.2
67.89516	0.1
68.05029	0.4
69.07077	0.5
69.26208	0.4
69.26632	0.8
70.06594	19.8
71.08636	3.7
72.08156	0.5
74.06104	0.5
82.38311	0.2
82.45210	0.1
83.08602	0.2
84.08145	0.4
85.10174	1.5
86.06104	0.2
86.09696	0.4
88.07633	24.3
89.07988	0.4
102.09182	15.8
103.09461	0.2
129.60443	0.2
132.10190	1.0
146.11818	1.0
150.11252	0.5
151.41621	0.2
240.26909	1.1
258.28030	0.3
266.28485	0.2
284.29477	39.0
285.29800	2.6
285.32706	0.2
328.32114	2.6
329.32532	0.2
346.33145	100.0
347.33493	7.6
366.41940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40089	0.4
58.99834	0.4
59.38757	0.4
70.33462	0.7
70.33824	0.6
70.69488	0.4
70.99860	1.1
82.99819	3.4
84.04527	0.3
84.08149	0.8
85.02898	0.9
86.09724	0.9
97.02881	0.4
101.00883	20.5
102.00986	0.7
102.04361	0.4
103.02443	0.4
110.03391	0.3
113.00870	1.9
115.02456	0.5
119.01926	20.2
120.02003	0.8
123.04408	0.7
131.01904	2.6
132.66817	0.4
137.02968	1.0
143.01901	100.0
144.02036	5.3
145.03427	0.5
151.03900	0.5
155.01936	1.6
157.03485	0.5
161.02960	84.6
162.03105	4.4
163.95099	0.4
169.04993	0.7
173.02972	1.8
179.03860	0.5
184.04579	1.9
185.02942	0.6
185.06630	0.7
197.06514	0.5
203.04010	39.7
204.04211	2.2
209.06517	0.5
214.95374	0.4
221.05101	1.2
227.07692	1.5
238.96654	0.4
245.05148	0.6
287.09766	10.9
288.09998	1.0
305.10992	0.6
347.12143	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.05499	0.7
61.02923	0.7
66.45891	0.6
69.03434	1.4
69.07056	0.7
69.54660	1.6
69.55067	1.5
70.06598	1.3
80.72388	0.8
81.03409	0.9
84.08128	1.6
85.02911	3.6
86.09715	6.2
87.10023	2.4
91.05473	1.0
97.02890	1.1
98.23283	1.2
119.04970	0.7
127.03897	0.8
129.10262	0.8
137.06007	1.6
151.07544	2.6
167.06847	2.6
171.54027	0.8
185.04251	3.4
185.07896	11.7
185.09491	0.8
192.14230	0.7
196.49489	0.6
199.18045	1.2
200.18381	0.9
203.05258	10.8
217.60402	0.6
228.17903	0.7
285.13110	5.6
301.12582	72.4
302.12946	3.5
329.11859	0.7
347.13123	100.0
348.13562	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	347.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05521	10.9
57.03423	1.6
61.02918	1.5
65.03941	0.8
69.03424	5.1
69.07082	1.1
69.91580	0.8
70.06602	1.4
70.15955	2.8
71.04987	1.6
72.08147	1.3
73.02924	1.3
73.63689	0.8
78.93005	0.8
79.05485	1.6
80.72372	1.4
81.03431	1.1
81.07080	1.1
83.06007	1.0
83.08627	7.0
84.08138	1.4
85.02909	11.3
85.06558	1.2
86.09699	5.6
87.04483	1.1
87.10081	1.3
91.05482	2.1
93.07053	1.8
95.08616	1.4
96.04510	0.9
97.02886	5.7
99.04463	1.5
105.01863	1.2
106.57417	1.0
107.04998	1.6
107.08615	1.3
109.02872	1.1
115.03936	7.0
119.04960	1.1
120.08109	1.2
123.11688	1.0
125.02338	0.9
127.03958	2.5
130.04964	0.9
133.04956	2.7
135.04362	0.8
138.09135	0.9
143.03157	1.3
145.05031	1.2
147.09158	1.2
151.07578	6.3
152.38339	1.1
161.04456	2.4
165.09219	1.0
167.06819	2.4
167.08112	1.6
185.04205	2.6
185.07922	9.9
185.11714	1.3
186.18561	1.7
201.04155	1.0
203.05280	12.9
203.07079	1.4
219.05174	1.1
244.10201	0.9
285.13080	6.8
299.39981	1.1
301.12598	78.7
302.12973	3.8
329.11923	1.8
347.09579	5.5
347.13098	100.0
347.16571	7.1
348.13516	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	347.1489
Annotation	Metasequirin D
Peak:m/z	Relative Intensity
52.48681	1.8
55.01891	2.0
67.05499	5.0
68.66651	2.1
69.03386	2.2
69.07074	2.3
70.06592	2.5
79.05499	7.8
81.07030	2.8
82.80838	2.0
86.09714	5.8
91.05482	18.2
92.05804	1.9
93.07032	4.0
94.04202	3.0
95.04984	3.7
95.08632	2.3
97.02910	4.9
102.04676	2.4
103.05470	13.9
104.16645	2.4
105.03455	2.9
105.07040	6.1
107.04961	5.3
119.04951	12.7
119.26027	1.9
121.06511	7.2
122.03660	7.1
123.04420	10.8
128.27887	2.0
129.06989	3.1
130.04182	5.7
131.04939	28.3
133.02834	3.4
133.06447	6.2
135.04388	2.8
137.05980	100.0
138.06320	6.2
147.04410	74.5
147.08090	10.2
148.04829	2.8
149.05994	17.4
151.07529	16.6
153.05525	2.3
161.05998	8.3
162.06766	26.3
163.07588	13.7
165.05608	2.4
167.07016	6.2
167.08452	2.2
175.07556	25.6
179.07074	6.4
180.07742	3.5
181.04971	2.3
181.08595	2.9
183.14159	2.3
192.07806	3.3
193.04881	2.4
193.08591	20.5
195.08069	3.1
197.01299	2.7
205.08678	5.2
225.09132	3.0
244.23155	1.9
253.08501	3.0
271.09653	5.6
273.11325	2.5
283.09671	2.8
297.07407	2.5
299.12665	7.2
315.08548	2.9
319.11624	4.6
329.13782	2.2
347.04517	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90725	2.3
55.01881	4.9
65.03943	2.7
67.05517	4.1
70.06583	3.8
70.57082	4.7
73.54226	2.7
79.05490	7.1
81.07047	2.5
86.09711	2.4
91.05471	19.6
93.07066	3.8
94.04170	2.8
95.04988	3.4
103.05484	11.2
105.07036	7.9
107.04942	8.8
109.06506	2.7
111.20544	2.2
117.07039	3.0
118.89696	2.5
119.04964	13.5
119.08613	3.5
121.06522	8.8
122.03658	7.8
123.04438	9.4
128.55232	2.3
129.06985	4.8
130.04167	5.2
131.04967	23.9
133.02771	4.1
133.06482	4.9
137.05986	100.0
137.07048	5.3
138.06386	5.7
147.04410	80.5
147.08009	13.7
148.04764	3.8
148.55635	2.4
149.05984	13.6
151.07564	16.8
156.65294	2.5
157.06508	2.6
161.06004	10.4
162.06747	24.0
163.07521	10.6
165.05568	3.2
165.06987	3.4
167.07143	2.9
175.07545	43.1
179.07051	4.6
181.06548	2.7
181.08615	4.1
185.07111	3.3
193.08586	21.0
195.08078	3.5
205.08580	3.8
211.07561	3.4
213.08778	2.4
221.05954	3.2
251.07182	2.4
253.08638	2.3
271.09680	5.0
273.11246	3.2
299.12750	7.7
317.13907	3.5
347.12167	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.01860	0.4
62.85388	0.3
67.05494	0.8
69.03408	0.4
69.07008	0.3
69.34567	2.4
71.04999	0.4
72.60316	0.3
79.05499	1.1
81.07044	1.2
85.02902	0.7
85.06542	1.2
86.09703	0.4
91.05495	0.7
92.64120	0.3
93.07045	0.8
95.08624	0.5
105.07040	0.9
106.88311	0.3
107.04933	0.4
107.08585	0.7
109.06539	0.4
117.07013	0.4
119.08548	0.5
121.10075	0.6
124.07574	0.9
130.06505	0.6
131.74339	0.3
136.07571	3.4
137.05974	0.6
143.08585	0.4
147.04369	0.6
152.07068	0.8
159.11678	0.3
164.07065	2.2
167.08540	0.4
183.07980	0.3
184.13358	0.8
185.11522	1.5
185.13673	1.0
188.12880	0.6
224.09280	0.6
227.08018	0.4
255.07516	0.4
269.09311	0.4
283.10776	0.8
311.10068	1.6
329.11249	2.9
347.16742	100.0
348.17145	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	347.2217
Annotation	Algestone
Peak:m/z	Relative Intensity
53.03947	4.2
55.01867	10.5
55.05510	10.8
57.03431	7.3
57.07069	4.1
59.05007	6.5
60.57727	2.4
61.02915	6.5
67.05509	18.0
69.03429	20.6
69.07066	12.4
71.01360	5.0
71.04999	26.1
71.30769	3.3
73.02908	6.1
73.03403	2.4
77.55388	2.1
79.05505	17.0
81.03423	18.3
81.07056	39.5
83.04989	14.2
83.08609	6.8
85.02912	8.3
85.06551	3.3
87.04461	3.2
91.05488	26.8
93.07053	25.8
95.01329	4.2
95.04976	13.9
95.08612	28.8
97.02892	10.4
97.06520	9.0
97.10170	4.6
99.04443	6.2
99.08089	2.8
103.03947	4.5
105.07028	47.1
107.04957	6.3
107.08601	35.6
109.06535	7.1
109.10162	22.6
109.96791	2.5
111.04439	6.9
111.08050	3.3
115.03900	6.5
115.05430	4.3
117.07042	14.4
119.04935	8.2
119.08586	39.7
120.08890	3.1
121.06526	12.3
121.10145	19.5
123.04385	4.3
123.08071	9.4
123.11708	7.1
125.09622	10.7
127.03945	2.9
127.11176	14.0
128.06239	8.3
129.05455	3.2
129.07048	16.0
130.07840	4.6
131.04926	2.7
131.08577	33.9
133.06488	7.4
133.10135	23.7
135.08070	9.1
135.11696	10.0
137.05969	3.4
137.09593	7.2
139.03889	3.5
139.07539	2.4
141.06979	9.8
142.07776	9.9
143.08585	31.1
143.10657	5.8
145.06473	9.4
145.10138	37.3
147.08070	14.4
147.11696	14.0
149.09634	6.8
149.13235	6.4
151.07463	3.2
153.06937	4.8
153.12711	2.8
154.07838	4.3
155.08536	15.5
156.09328	8.1
157.10129	44.0
158.10725	3.6
159.08058	14.8
159.11711	30.4
161.09612	9.4
161.13266	10.4
163.11211	4.4
165.06953	5.2
165.09198	3.2
167.08556	7.4
168.09341	5.3
169.10139	20.0
170.10873	3.5
171.08057	14.3
171.11705	31.7
173.09592	16.9
173.13252	23.3
175.11211	8.6
175.14876	4.6
177.09113	6.2
177.12779	4.2
179.08623	6.4
181.08769	2.6
181.10159	11.0
182.10930	9.3
183.11668	19.9
185.09607	8.3
185.13231	14.8
187.11201	13.7
187.14856	5.9
189.09116	29.4
189.12689	6.6
189.16389	3.8
191.10674	5.5
195.11665	10.0
196.12529	3.3
197.09587	3.5
197.13274	15.2
199.11195	8.2
199.14816	9.7
201.09113	3.8
201.12773	12.9
201.16347	14.9
203.14259	7.2
203.17998	7.7
205.12332	4.0
207.10150	6.9
207.11726	7.6
209.09642	2.7
209.13243	7.8
211.14856	5.0
213.12714	12.1
213.16460	10.4
215.14366	6.4
215.18005	4.8
219.17462	3.8
223.11293	2.7
223.14946	6.3
225.12730	23.9
225.16290	5.9
227.14288	8.2
227.17924	7.7
229.19424	2.9
231.13896	4.4
231.17422	6.0
237.12755	3.1
239.17975	5.0
241.15906	14.7
243.13803	16.7
243.17453	9.2
245.18875	3.3
250.13922	2.9
255.17427	4.1
257.15430	2.6
257.19022	8.7
259.16907	6.9
261.14948	19.3
269.19016	7.9
281.19238	4.1
287.20099	7.3
293.18842	8.6
299.20065	9.2
311.19946	23.4
312.20480	4.2
329.21103	50.9
330.21490	4.2
342.59125	2.9
347.12216	3.9
347.22153	100.0
348.22513	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	348.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37076	3.0
56.84008	3.2
57.03440	3.1
60.04532	9.6
61.02935	4.2
65.03947	15.5
69.03424	7.3
70.06592	7.8
70.86442	3.8
72.08175	5.8
74.06073	8.5
83.50655	3.3
84.04522	9.4
84.08147	15.0
85.02905	27.4
86.09715	34.1
93.03408	15.1
97.02921	4.2
102.05540	3.9
111.04457	35.0
116.98579	4.4
122.88397	3.2
123.04433	4.1
125.05995	28.9
129.10222	5.2
132.10202	5.8
136.06250	19.2
145.04985	5.7
151.03929	21.0
151.04951	3.3
156.10147	4.2
169.04970	77.1
169.06306	5.8
173.12971	4.6
201.12291	18.7
349.09238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
56.05038	1.3
56.96557	1.4
57.03428	1.9
60.04527	3.3
61.02924	2.1
67.05510	2.3
69.03434	6.4
69.07065	0.7
70.06592	1.1
71.04990	1.2
71.37092	0.7
72.08149	3.1
73.02910	1.0
73.08473	0.6
74.06077	1.4
80.90067	0.6
81.03416	2.2
83.06115	0.7
84.04517	5.2
84.08147	3.4
85.02909	28.4
86.09708	13.0
87.10002	0.9
88.03973	0.7
91.03941	1.4
95.04964	3.5
97.02899	8.1
98.97576	1.4
98.98481	1.7
99.04474	1.3
102.05551	1.6
106.05039	3.4
109.02876	1.9
116.98627	0.6
119.01945	1.2
119.03488	1.2
123.04435	100.0
124.04757	2.3
127.03905	4.0
129.06621	1.2
129.10263	2.0
130.04962	0.9
130.10583	1.0
136.06189	70.0
137.04674	0.6
137.06660	0.9
143.01923	1.0
144.02052	1.4
145.04967	4.8
147.07581	0.7
148.06085	0.7
151.03909	27.9
161.03014	1.7
162.03050	2.5
163.02727	0.8
164.99498	1.9
169.04967	45.6
170.05394	1.3
173.02994	0.5
173.12909	1.1
174.13084	0.8
180.08690	2.7
186.05170	0.8
186.07654	1.4
187.14479	1.5
197.12904	2.7
203.03993	0.9
213.01834	0.7
215.13901	3.4
221.05078	0.9
235.09351	0.7
246.02017	1.4
258.02072	0.9
276.03116	1.1
307.08908	1.1
348.06580	3.8
348.13025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.75869	0.5
55.01871	1.5
55.70691	0.7
57.03426	0.8
61.02917	2.7
65.96996	0.6
69.03429	4.7
69.40305	4.2
71.04979	0.8
73.02908	1.0
81.03410	2.7
84.08103	0.7
85.02909	19.2
86.09712	0.8
91.03953	0.9
91.05483	15.7
95.04968	3.2
97.02893	6.8
98.23305	1.4
99.04437	1.1
105.07030	0.9
109.02874	1.5
117.07002	0.6
119.04949	13.0
123.04482	0.9
127.03937	4.2
135.39851	0.6
136.05186	2.0
136.06169	1.2
137.05983	1.7
145.04939	4.9
151.07549	100.0
152.07881	4.2
165.09137	1.2
169.08601	6.8
175.07520	0.8
180.08780	1.1
181.08580	0.8
186.08258	0.8
193.08620	1.7
203.05287	1.2
204.05650	0.8
217.96446	0.7
277.10715	1.3
291.46399	0.6
301.12729	1.0
302.12961	8.6
303.13278	0.7
309.40292	0.7
348.13492	11.4
348.17145	1.1
349.08881	3.9
349.13333	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24477	1.4
61.02925	2.3
69.03432	4.8
70.34836	3.6
73.72132	1.4
81.03428	1.5
84.04531	1.3
85.02909	14.7
85.59129	1.3
86.09705	2.6
91.03913	2.0
91.05482	14.6
95.04968	3.5
97.02905	4.7
109.02881	2.0
111.40495	1.3
119.04955	10.9
120.08121	2.2
123.72002	1.2
127.03950	4.0
145.04973	3.8
151.07549	100.0
152.07872	3.7
169.08618	7.1
180.08682	1.5
348.10086	1.5
349.08786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44795	0.3
52.31211	0.3
53.03951	0.6
53.98499	0.3
55.01856	0.8
55.05513	2.7
56.05019	0.8
57.03439	2.9
58.06600	6.2
59.52695	0.3
60.04506	0.9
61.02928	4.0
61.69187	0.2
62.12197	0.5
67.05505	5.5
69.03429	12.4
69.07063	2.5
69.67418	0.5
69.67838	0.9
70.06570	0.8
70.75828	0.2
71.01350	0.5
71.04994	2.9
72.08133	0.9
73.02921	3.3
79.03748	0.3
79.05468	1.0
81.03424	3.7
81.07056	6.7
83.01311	0.4
83.04940	0.3
83.08598	1.1
84.04484	0.5
84.08129	0.9
85.02907	18.2
85.06512	1.1
86.09723	1.7
86.34636	0.3
88.03979	0.4
91.03934	1.2
91.05476	0.6
93.07019	0.5
95.04976	0.3
95.08611	9.3
96.08948	0.5
97.02268	0.5
97.02888	7.4
97.10171	0.5
98.06061	0.4
98.09695	2.8
98.23315	0.5
99.04449	2.2
99.08080	1.0
100.07616	0.4
101.02373	0.6
102.05559	0.3
103.03916	0.6
109.02878	2.6
109.06484	0.5
109.10143	3.9
115.03915	0.4
120.08128	1.6
123.08085	0.3
123.11709	0.7
124.03935	0.5
124.07583	1.9
126.05509	0.4
126.09145	2.9
127.03919	4.3
129.10243	0.3
130.06493	0.8
137.05917	0.4
138.09111	0.8
140.10745	0.3
140.14348	0.4
142.08656	0.8
145.04961	1.8
148.05983	0.3
150.09126	0.4
151.07524	1.0
154.08635	0.4
157.07585	1.2
159.09200	0.3
163.03935	0.4
168.10191	0.9
168.17468	3.7
169.08546	0.5
173.12866	1.1
177.44862	0.3
184.16940	0.3
186.11252	6.8
186.15152	1.9
186.18532	86.1
187.07481	0.7
187.18910	4.0
201.12263	0.4
228.19592	2.1
250.16490	0.3
302.12897	0.3
331.12918	0.5
348.09940	1.8
348.16879	3.5
348.23798	100.0
349.09058	1.0
349.17587	0.4
349.24115	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	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69881	12.9
56.86549	15.5
58.08387	13.1
58.42294	12.0
67.05540	23.0
69.32716	43.5
69.33121	41.3
77.12499	12.3
88.07634	34.3
91.05476	16.6
105.07042	27.5
163.11276	16.2
188.25163	13.7
195.09955	16.0
203.92120	12.4
231.41483	13.9
256.26440	29.0
348.31079	93.6
349.19952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.9
55.05518	40.5
57.03439	19.7
65.03936	6.1
67.05507	99.5
69.07066	21.2
70.59815	12.7
70.91589	4.3
71.05009	9.5
71.08638	15.8
79.05502	44.2
81.07062	81.0
83.04973	11.3
83.08620	14.8
85.06527	7.6
91.05488	35.0
93.07052	41.7
95.04977	10.7
95.08609	32.9
97.06544	8.7
97.10184	21.2
99.08118	6.6
105.07033	41.9
107.08614	23.5
109.06541	11.1
109.10155	64.5
111.08083	7.0
117.07038	15.2
119.08589	26.6
121.10148	13.8
123.08027	5.6
123.11700	6.4
125.09676	13.2
128.57048	4.7
129.06964	6.3
131.08575	21.0
133.10114	22.1
135.11722	17.5
137.09659	8.3
145.10121	22.1
147.11713	14.5
149.09692	5.9
149.13290	9.7
155.10666	21.6
159.11736	16.0
161.13383	8.0
163.11177	7.4
171.11681	5.1
173.11760	100.0
173.13177	5.0
179.14369	10.5
189.11247	17.6
195.13850	21.9
213.14941	14.7
223.25893	4.9
247.20540	4.8
253.86696	5.1
257.18881	10.6
275.20184	22.3
277.21558	32.9
295.22769	11.2
349.19836	24.4
349.23795	34.9
360.36398	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03956	1.0
53.76547	0.9
55.05511	3.2
55.72722	0.7
56.05039	3.2
57.03445	1.4
60.04528	100.0
61.04874	1.0
64.33504	0.8
65.03918	0.9
67.05503	11.9
68.05043	1.0
69.03430	2.2
69.07079	3.3
69.27364	5.5
69.67711	0.7
70.06602	2.6
71.04998	2.0
72.04525	2.3
74.06079	2.4
79.05501	9.4
80.05025	1.8
80.05847	0.7
81.03413	1.4
81.07057	10.4
81.32936	0.7
82.06593	3.1
82.77236	0.9
83.04988	1.6
83.08633	1.6
84.08141	1.6
85.06554	1.0
90.05550	1.9
91.05482	8.1
93.07047	9.2
94.06596	1.3
95.04980	2.4
95.08599	10.4
96.08171	0.8
97.06552	1.7
99.08096	1.0
99.81384	0.8
100.07614	2.1
100.11267	3.8
105.07029	5.6
107.08581	4.5
108.08117	1.1
109.10152	3.6
110.06075	0.9
111.08111	0.8
112.07677	0.8
112.45355	0.7
116.07070	0.9
117.07050	1.7
119.04878	0.7
119.08581	4.1
120.08113	1.1
121.06535	1.5
121.10146	5.0
123.11734	1.2
125.09631	1.0
128.04927	0.7
128.07053	1.1
129.07068	1.6
131.08607	2.3
133.10149	2.2
134.09785	0.7
135.11717	3.0
136.11243	0.9
137.05975	1.6
143.08574	1.6
145.10147	1.3
147.11745	1.9
148.11198	0.9
149.05965	1.2
157.10176	1.0
159.11720	1.0
161.13252	1.3
167.21936	0.8
170.08156	0.9
171.11694	0.8
177.05554	2.0
181.04987	2.5
182.15337	1.0
191.11267	0.7
197.06090	0.9
199.17937	0.8
199.25615	0.8
205.47308	0.8
210.14902	1.4
217.19479	0.9
229.19653	0.9
241.19382	0.8
264.23178	1.5
270.07825	0.8
276.23254	2.9
276.72580	1.3
294.24286	5.6
312.25296	11.6
313.25656	1.0
330.26382	27.2
331.26834	2.0
343.30621	0.9
348.14197	2.0
348.27454	53.4
349.14209	0.8
349.27750	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	349.0535
Annotation	CCRIS 4079
Peak:m/z	Relative Intensity
56.32896	6.6
56.96567	12.8
58.07604	7.5
60.41621	5.5
70.06594	8.4
70.75581	10.7
82.48989	6.6
84.08087	8.7
85.02857	6.3
98.97589	53.8
110.97621	11.8
114.12756	6.3
116.98650	21.7
125.15470	6.2
128.98564	6.8
158.99693	10.8
159.03247	7.1
177.00783	7.4
219.01808	17.3
229.03716	7.0
237.02841	15.5
272.04269	7.1
289.11517	7.2
303.80502	6.1
321.08630	9.5
349.05048	100.0
349.08627	15.8
349.12567	6.7
367.09079	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	349.147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.9
58.06633	0.4
60.04523	0.7
69.03431	0.5
70.77186	0.4
71.30542	0.5
74.06079	2.1
84.04508	1.4
86.09701	2.4
87.10050	0.7
88.04005	0.9
97.02915	0.4
98.06098	0.6
98.97556	0.4
126.05513	1.5
132.10216	0.5
144.06561	2.6
145.06877	1.3
161.02991	0.6
175.08987	0.4
187.07939	0.8
187.09439	7.7
189.08719	2.7
190.09006	2.0
217.08246	0.8
218.08507	1.0
289.11273	0.6
331.12830	0.5
349.09375	3.7
349.14667	100.0
350.09064	0.6
350.15082	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	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20148	6.0
53.03948	9.4
53.72606	6.1
55.05506	27.2
56.96571	70.1
57.03434	21.4
67.05505	36.9
69.07068	25.2
70.00204	18.0
70.00595	14.0
71.95264	10.7
74.98000	6.9
79.05501	38.6
81.07070	50.1
83.04977	17.5
83.08618	8.9
91.05489	33.6
92.49690	6.3
93.07047	47.5
95.04984	18.4
95.08630	32.5
105.07042	49.1
107.08605	41.5
109.06535	19.1
109.10158	18.2
110.97571	8.2
117.07011	12.2
119.08576	32.5
121.06520	29.5
121.10139	17.7
123.08107	8.4
123.11678	10.9
128.98592	8.3
131.08595	32.3
133.10178	26.5
135.08134	12.1
135.11668	14.9
137.02736	8.4
145.10153	22.4
147.11664	14.8
149.09639	9.9
149.13390	7.2
159.11685	20.3
161.13232	8.8
163.11211	7.8
171.11893	9.3
173.13297	13.8
183.11697	14.3
191.14294	7.9
199.06422	15.9
201.08104	6.7
211.06425	9.8
211.10161	7.3
213.08003	30.2
217.07547	15.5
227.09778	9.1
229.07483	70.3
231.09059	42.2
233.15385	19.9
243.09061	17.3
247.08533	35.2
257.18991	21.4
261.10104	7.8
272.75763	6.1
275.20108	100.0
276.20343	7.0
319.08655	7.1
331.15662	13.8
331.19098	9.3
349.16940	51.1
349.24033	33.9
350.17416	7.7
367.17975	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	10.6
56.96565	72.5
61.16939	7.0
69.07064	9.3
71.31586	8.6
71.95254	11.8
79.05500	15.9
80.94878	11.3
81.07049	15.6
93.07049	10.9
100.23006	7.8
105.07316	7.1
108.96914	7.8
109.06499	10.1
123.08067	14.1
128.98640	8.9
133.10300	11.5
171.12009	12.6
172.49976	8.9
179.14209	7.8
185.04807	9.5
199.06462	15.1
211.06390	12.8
213.08029	56.3
217.07460	17.1
229.07492	100.0
231.09026	63.8
243.09074	19.6
247.08549	67.7
249.98953	8.6
261.10052	22.5
275.20132	9.6
304.67303	10.6
348.33798	12.0
349.16620	54.5
349.23831	17.8
349.27539	11.0
367.18079	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01868	8.4
55.05508	14.6
56.96575	7.7
57.03440	19.7
57.45066	2.9
67.05510	38.1
69.07074	21.8
69.62484	7.9
69.62889	10.3
71.04981	5.6
79.05499	49.1
81.07065	100.0
83.04964	4.3
83.08633	9.8
85.06495	3.2
91.05485	43.6
93.07053	34.0
95.04976	10.0
95.08615	34.1
97.06529	9.8
101.52338	3.2
105.07033	41.4
107.08595	27.2
109.06510	39.9
109.10154	11.9
114.93468	3.5
117.07010	12.3
119.08588	29.0
121.06532	3.8
121.10144	13.2
123.08083	7.1
123.11707	5.3
128.98615	3.9
129.07057	7.3
131.08540	19.9
133.10138	22.4
135.08054	6.5
135.11676	7.9
137.09665	3.6
141.06958	4.4
145.10191	21.2
147.11693	12.8
149.09584	5.3
149.13268	7.7
151.11244	4.1
153.78452	3.6
154.09978	2.9
155.08562	3.5
157.10123	7.9
159.11694	18.7
161.13332	5.0
163.11230	4.1
165.09050	3.6
171.11673	7.5
173.13272	10.5
175.11285	3.8
183.11778	4.4
185.13284	5.7
187.14784	3.8
197.13287	5.0
222.71344	3.8
225.16454	3.5
229.19608	6.8
239.17987	4.9
245.52370	3.8
247.20619	7.5
257.19012	14.2
275.20120	32.1
331.15817	22.5
349.16992	24.3
349.19998	19.5
349.23444	42.0
367.17868	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.05515	8.7
56.96571	58.9
64.67993	3.6
67.05509	13.3
69.07070	6.9
71.29723	5.9
71.30089	4.0
71.95260	6.9
74.90511	3.8
79.05509	25.7
81.07068	27.8
83.04986	5.1
83.08613	6.1
84.96072	5.1
91.05488	18.2
93.07039	17.6
95.08610	12.1
105.03379	7.1
105.07036	15.1
107.08596	17.6
109.06523	7.6
109.10188	4.5
110.97616	10.2
118.20284	4.0
119.08571	17.0
121.10131	8.4
123.08052	3.9
128.98611	12.1
129.06966	4.1
131.08626	5.5
133.10164	10.5
135.08055	4.7
135.11725	5.0
145.10149	9.4
146.99603	9.6
147.11713	5.8
149.06009	11.2
149.09616	5.3
149.13297	6.0
153.02287	4.6
157.10118	5.8
159.11690	8.2
171.03271	5.3
171.11948	6.6
185.04865	4.2
197.04782	6.7
199.06467	14.2
203.05905	4.3
213.08031	6.3
217.07497	12.2
219.17445	10.7
223.02838	6.5
223.08582	5.0
228.23222	5.4
243.09125	8.3
251.09750	4.4
255.09091	11.1
257.10574	4.4
261.10092	8.4
273.10144	6.5
275.19989	8.9
277.11166	4.3
279.09036	5.0
280.09772	6.8
293.34766	4.4
331.15839	79.9
332.16183	6.1
349.16818	100.0
349.20267	7.7
349.24078	10.4
350.17450	8.0
350.27014	4.6
367.17813	25.1
372.18732	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46861	0.5
57.07065	0.5
67.05488	1.0
69.06312	1.7
69.06738	3.0
70.83669	0.5
79.05500	1.3
79.90054	0.5
80.94870	0.5
81.07062	3.7
88.07642	0.9
91.05487	0.9
92.74984	0.6
93.07043	0.5
95.08591	1.4
98.22549	1.0
105.07056	0.9
107.91399	0.6
109.06501	1.5
133.10333	0.7
229.79486	0.5
348.33749	1.2
349.19849	100.0
350.20282	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04230	0.6
55.05517	0.7
64.14411	0.6
69.48606	0.5
71.31539	0.7
79.05505	0.7
81.07055	2.3
88.06430	0.6
89.66168	0.6
91.05479	0.8
91.07671	0.6
93.07053	0.8
95.08617	1.2
97.06522	0.9
99.79701	0.6
105.07031	1.6
107.08623	1.1
119.08606	0.6
121.10129	0.8
125.49006	0.6
133.10179	0.9
136.77632	0.6
145.10179	1.2
147.93758	0.7
159.11687	0.7
167.42847	0.6
181.10178	0.7
275.20087	1.1
298.12460	0.7
331.18906	1.2
349.19867	100.0
350.20297	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
57.03410	0.8
67.05502	1.6
68.46635	0.5
69.03035	2.1
69.03465	2.8
69.07059	1.3
70.98798	0.5
74.44249	0.5
79.05484	2.8
81.07069	2.9
81.07474	0.5
88.64101	0.5
91.05466	2.1
93.07040	2.5
95.04921	0.5
95.08629	1.7
95.92896	0.5
105.07020	3.8
107.08580	1.8
109.06508	0.9
109.10151	1.2
111.08088	0.8
113.94231	0.5
117.06995	0.9
119.08587	2.0
120.18198	0.5
121.10168	1.1
125.09694	0.6
131.08554	1.2
133.10121	1.3
135.08073	0.6
135.11711	0.6
143.08586	0.5
145.10095	1.9
147.11746	0.7
159.11676	1.0
161.13211	0.8
169.10066	0.5
199.70499	0.5
225.11049	1.0
257.19022	1.9
261.14612	1.1
275.20084	2.1
349.19843	100.0
350.20309	6.1
350.24161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05508	1.7
57.03437	1.6
67.05498	2.9
69.07060	1.4
69.10859	0.6
70.93371	1.0
71.04974	1.1
79.05501	4.1
81.07049	4.9
82.91199	0.6
83.04986	1.4
91.05480	3.7
93.07050	4.5
95.04996	1.0
95.08617	2.8
97.06558	1.2
97.10194	0.7
105.07026	4.0
107.08545	3.6
109.06491	0.9
117.06992	0.8
119.08588	3.8
121.10173	1.4
123.08030	0.9
123.11723	1.0
129.07013	0.9
131.08582	2.3
133.10121	2.0
135.11729	0.8
137.05734	3.1
145.10139	2.1
147.11668	1.4
157.10155	1.6
159.11681	1.5
169.10210	0.7
173.13275	1.4
185.13339	1.1
205.15837	0.7
219.17386	0.8
221.11493	2.6
235.13048	1.1
239.18082	1.1
257.19080	1.6
275.20108	3.5
303.19177	1.1
331.18887	1.5
349.19861	100.0
350.20209	6.3
350.24060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72189	1.7
53.03941	13.0
55.01876	19.2
55.05517	49.3
56.96571	15.5
57.03441	17.7
57.07072	2.8
57.80969	1.8
59.23907	2.0
63.52836	1.8
65.03936	4.2
67.05508	71.9
69.03420	6.2
69.07072	39.7
71.04995	7.6
71.95290	2.5
73.39376	1.6
79.05498	100.0
80.05827	2.0
81.03422	14.9
81.07059	78.2
83.04987	27.4
83.08624	13.0
85.06557	4.6
88.07634	6.9
91.04992	1.2
91.05482	58.5
93.07047	67.6
94.07400	2.4
95.01349	11.6
95.04975	18.5
95.08611	42.6
97.06540	18.3
97.10175	13.3
98.23339	5.3
105.04523	3.2
105.07029	57.3
107.04954	34.0
107.08598	51.9
109.06502	14.4
109.10157	25.3
111.04405	3.2
111.08080	7.0
115.05473	2.5
117.07025	19.0
119.08582	37.7
121.06495	4.8
121.10149	23.4
123.08087	6.8
123.11742	6.8
125.09630	13.1
129.07001	3.5
131.08575	27.1
133.10130	37.0
135.08058	12.6
135.11705	10.8
137.09677	6.0
139.07576	2.5
143.08641	3.6
145.06476	4.1
145.10132	20.6
147.11693	19.4
149.09633	37.3
149.13315	6.6
153.09109	3.8
157.10136	8.3
159.11726	14.1
161.13283	7.6
163.11140	4.9
163.14813	4.4
165.09119	2.7
169.10179	4.5
169.12352	2.6
171.03345	2.0
171.11823	7.1
173.11894	2.6
173.13290	9.0
175.11227	3.0
177.12823	5.9
179.14348	11.3
183.11681	3.4
187.11186	6.8
189.11247	5.0
197.13341	3.5
209.15414	3.0
211.14822	4.1
229.19554	4.5
233.15445	2.1
237.13144	2.5
239.17921	2.2
243.99355	1.8
247.20680	2.9
257.19070	8.6
275.20041	41.2
276.20291	2.8
285.21698	2.1
293.19308	2.7
303.16470	4.5
321.17416	9.5
322.17352	2.3
349.13159	3.6
349.19785	18.4
349.23825	35.5
349.34027	2.2
350.20303	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01882	6.7
55.05516	19.0
56.80962	2.4
56.96566	7.6
57.03447	13.6
57.07086	6.3
65.03974	2.7
66.58347	2.0
67.05507	35.8
69.03432	5.1
69.07072	26.4
71.05003	3.8
79.05499	34.7
81.07062	42.1
83.04987	15.1
83.08621	6.9
85.06535	3.8
91.05483	30.4
93.07053	41.0
95.04990	8.4
95.08609	27.8
97.06557	6.6
98.22542	3.7
105.07026	36.6
107.04936	10.4
107.08594	29.2
109.06496	13.9
109.10161	14.8
111.08083	2.9
115.05459	2.5
117.07053	12.5
117.84025	2.1
117.89197	2.3
119.08585	20.4
121.06511	14.3
121.10180	15.5
123.08096	9.6
123.11736	4.8
128.68050	2.1
129.07002	4.8
130.07835	2.1
131.08574	21.7
133.06493	3.5
133.10143	25.7
134.10486	2.0
135.08086	6.4
135.11723	11.7
137.09645	2.5
140.73442	2.0
143.08627	4.5
145.10129	19.0
147.08055	4.9
147.11691	15.0
148.12134	2.6
149.09682	9.4
149.13290	6.0
151.11200	4.4
153.98001	2.1
155.08562	4.2
157.10162	6.6
159.08075	3.4
159.11665	10.3
161.09573	2.8
161.13269	4.4
163.11218	10.2
165.12857	2.2
169.10237	4.0
171.11784	5.7
173.09648	5.0
173.13310	7.4
175.11137	2.4
177.12756	4.2
183.11696	4.0
187.11174	4.0
187.14679	2.6
188.91660	2.1
189.12819	2.5
191.14275	4.2
201.10081	2.3
201.12802	3.8
207.13820	3.5
213.16484	2.9
215.14282	3.2
219.13777	5.0
229.19559	4.5
239.17926	6.0
245.56995	2.3
247.20595	3.7
257.19037	19.5
269.10541	2.9
275.20096	100.0
276.20438	8.7
293.21054	5.8
349.19864	6.3
349.23645	31.6
350.24310	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.6
55.01876	15.7
55.05513	48.5
56.96566	12.8
57.03441	18.9
57.07055	2.4
58.34236	2.0
59.04988	3.5
65.03931	3.8
67.05507	73.4
69.03421	4.5
69.07075	33.9
69.15872	4.6
69.16289	10.7
70.06567	1.9
71.04980	7.0
79.05495	100.0
81.03416	15.9
81.07062	76.8
82.07400	3.2
83.04984	23.3
83.08622	14.3
85.06545	4.8
88.07635	5.2
91.05482	65.6
93.07044	63.7
95.01325	12.1
95.04966	18.5
95.08610	47.3
97.06551	17.3
97.10168	12.4
105.07028	60.5
107.04278	2.9
107.04959	41.1
107.08596	55.8
109.06562	9.2
109.10162	21.1
111.08102	5.6
113.09632	1.8
115.05451	3.4
117.07027	20.2
119.07784	2.9
119.08588	40.9
121.06508	7.1
121.10152	21.6
123.04426	3.4
123.08063	6.3
123.11713	6.1
125.09644	10.7
126.17293	1.7
128.06197	2.0
129.07007	4.3
131.08572	27.4
133.10133	45.3
135.08037	9.0
135.11717	10.7
137.09615	3.7
141.06935	2.7
143.08566	4.3
145.06482	4.0
145.10130	22.4
147.11679	17.8
149.09624	39.2
149.13252	6.9
151.11205	4.0
155.08525	2.4
157.10130	4.8
159.11694	16.4
161.04825	2.1
161.13298	7.0
163.11206	4.4
163.14841	4.6
169.10164	6.1
169.12273	3.9
171.11707	3.4
173.11836	3.7
173.13272	7.8
177.12778	5.3
179.14299	14.3
183.11659	4.3
187.11182	4.4
189.11240	4.7
195.11804	1.9
197.13269	4.2
205.12424	2.5
209.15308	4.5
211.06239	2.5
229.19501	4.1
239.17989	3.3
247.20575	3.1
257.18805	9.5
275.20078	49.8
276.20358	3.7
293.19272	2.3
321.17365	7.1
349.19754	14.8
349.23773	29.6
349.34082	2.1
350.23969	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
55.01881	12.2
55.05516	49.8
57.03441	14.7
57.07064	1.8
61.74090	1.8
61.81099	1.8
65.03932	2.2
67.05511	48.2
69.03452	4.0
69.07071	15.1
69.62347	8.4
71.04980	6.4
74.31519	1.6
79.05501	100.0
80.05830	1.9
81.03409	3.4
81.07061	43.7
83.04992	24.5
83.08611	12.4
85.06547	4.5
90.08956	2.1
91.05488	41.2
91.06010	3.4
93.06469	3.2
93.07053	57.4
94.07345	3.1
95.04965	13.3
95.08615	23.0
97.06566	4.6
97.10168	15.9
98.23374	2.4
105.07027	31.7
107.04961	27.0
107.07866	2.7
107.08601	54.3
108.08933	2.6
109.06544	6.9
109.10167	20.5
110.10482	2.0
111.08121	5.8
117.07019	15.9
119.08589	23.3
121.06538	4.7
121.10157	22.0
123.08098	5.1
123.11721	8.3
125.09636	12.7
129.07027	4.0
131.08591	17.0
133.10130	18.9
135.08051	10.1
135.11693	6.7
137.06059	2.4
143.08600	2.9
145.10130	16.0
147.08089	2.0
147.11670	12.6
149.09634	48.9
149.13231	3.4
153.09120	4.1
157.10172	2.7
159.11687	9.6
161.13258	5.6
163.11198	3.1
163.14842	3.0
169.12253	3.0
171.11792	5.6
173.11763	3.1
173.13277	4.0
183.11749	3.8
189.11253	4.6
197.13330	2.5
209.15378	3.0
229.19493	4.0
235.46619	2.0
239.18016	2.2
257.19046	9.8
259.89590	2.0
275.20071	31.4
276.20413	2.3
319.34372	1.9
349.23785	25.5
349.27451	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.01865	9.6
55.05513	31.1
57.03443	47.4
57.07079	4.4
59.04988	3.3
65.03938	5.5
67.05504	60.4
69.03405	2.9
69.07070	23.3
69.60137	10.0
71.05015	3.7
71.96716	1.9
73.93531	2.1
77.03909	2.5
79.05495	86.9
81.03426	3.9
81.06578	4.4
81.07056	81.8
83.04985	11.1
83.08647	14.2
85.06544	9.1
91.05482	87.1
92.64771	2.1
93.07047	66.3
94.07394	2.8
95.04974	13.6
95.08606	46.4
97.06529	13.9
97.10162	7.2
99.08094	3.8
103.05451	2.4
105.03391	2.0
105.07027	100.0
106.07378	3.5
107.04948	15.2
107.08595	61.1
109.06525	23.1
109.10152	21.0
111.08078	7.9
115.05456	5.8
117.05511	2.4
117.07027	29.4
119.08580	72.2
121.06506	7.5
121.10138	24.9
123.08062	8.9
123.11743	4.5
125.09663	7.0
128.06218	3.6
129.07014	12.2
130.07799	3.7
131.08568	44.5
132.08978	2.3
133.10130	48.4
135.08031	11.1
135.11693	13.5
137.09613	4.5
141.06929	2.9
143.08566	14.7
144.09348	3.3
145.10129	64.5
146.10616	2.1
147.11693	38.2
149.09628	15.6
149.13272	5.5
151.11177	3.4
155.08611	3.6
157.10139	17.2
159.11697	45.8
159.15294	2.7
160.12042	2.4
161.09641	3.7
161.13263	14.0
163.11211	10.9
163.14865	2.4
169.10135	7.0
171.10378	2.2
171.11710	11.9
173.13260	18.1
175.11195	3.7
175.14801	7.2
176.30635	2.2
177.12715	2.7
179.14331	2.4
183.11696	7.6
185.13275	17.1
187.11295	3.6
187.14893	2.8
189.11157	2.8
194.35864	2.3
197.13255	6.1
201.16524	3.7
203.14343	7.0
211.14819	2.5
219.13998	2.5
219.17436	35.5
221.15459	3.0
229.19534	8.0
239.18037	18.1
247.20636	5.2
257.19022	46.6
275.20056	71.1
276.20407	6.5
277.17886	2.6
293.21030	2.5
313.21542	2.3
329.81650	2.1
331.22806	4.8
349.19830	14.7
349.23752	89.4
350.20026	2.9
350.24167	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.6
55.05510	28.2
57.03428	12.7
57.07087	9.0
61.65459	5.0
65.03917	4.9
67.05511	46.3
69.03432	6.5
69.04669	46.3
69.07073	33.8
71.05002	9.6
75.69563	5.5
79.05505	55.0
81.07063	87.5
81.07525	7.0
81.52361	4.7
83.08627	12.2
91.05485	69.2
93.07049	80.9
95.04991	21.4
95.08608	58.6
97.06531	17.2
105.07037	90.7
107.04955	6.0
107.08595	71.5
109.06540	16.0
109.10169	45.5
116.37213	5.7
117.07013	28.3
119.08588	100.0
120.08891	6.0
121.06519	15.7
121.10149	77.1
123.08064	20.0
123.11752	9.5
129.07025	18.8
131.08574	51.3
133.10132	51.4
135.08055	15.6
135.11716	21.4
137.09612	7.8
141.87883	5.3
142.07797	10.9
143.08559	35.5
145.10146	56.8
147.11728	19.3
149.09644	7.5
155.08568	10.2
156.09398	15.2
157.10135	43.7
159.11687	33.9
161.09656	18.5
161.13266	11.7
168.09320	6.9
169.10187	14.0
171.11736	21.3
173.09631	6.2
173.13347	25.6
177.12685	5.4
179.14339	21.3
181.10155	11.5
183.11710	19.9
185.13310	20.1
187.14865	20.0
194.10936	12.2
195.11760	7.4
197.13312	17.1
199.14838	12.1
201.16400	6.0
207.11707	9.5
209.13248	15.9
211.14905	10.0
223.14827	6.3
225.16417	5.7
239.17928	5.5
253.19627	7.2
275.20151	18.3
301.85931	5.3
349.24860	55.8
350.26276	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.6
55.05510	28.2
57.03428	12.7
57.07087	9.0
61.65459	5.0
65.03917	4.9
67.05511	46.3
69.03432	6.5
69.04669	46.3
69.07073	33.8
71.05002	9.6
75.69563	5.5
79.05505	55.0
81.07063	87.5
81.07525	7.0
81.52361	4.7
83.08627	12.2
91.05485	69.2
93.07049	80.9
95.04991	21.4
95.08608	58.6
97.06531	17.2
105.07037	90.7
107.04955	6.0
107.08595	71.5
109.06540	16.0
109.10169	45.5
116.37213	5.7
117.07013	28.3
119.08588	100.0
120.08891	6.0
121.06519	15.7
121.10149	77.1
123.08064	20.0
123.11752	9.5
129.07025	18.8
131.08574	51.3
133.10132	51.4
135.08055	15.6
135.11716	21.4
137.09612	7.8
141.87883	5.3
142.07797	10.9
143.08559	35.5
145.10146	56.8
147.11728	19.3
149.09644	7.5
155.08568	10.2
156.09398	15.2
157.10135	43.7
159.11687	33.9
161.09656	18.5
161.13266	11.7
168.09320	6.9
169.10187	14.0
171.11736	21.3
173.09631	6.2
173.13347	25.6
177.12685	5.4
179.14339	21.3
181.10155	11.5
183.11710	19.9
185.13310	20.1
187.14865	20.0
194.10936	12.2
195.11760	7.4
197.13312	17.1
199.14838	12.1
201.16400	6.0
207.11707	9.5
209.13248	15.9
211.14905	10.0
223.14827	6.3
225.16417	5.7
239.17928	5.5
253.19627	7.2
275.20151	18.3
301.85931	5.3
349.24860	55.8
350.26276	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03934	0.8
55.01883	0.8
55.05517	4.3
57.03426	1.3
57.07083	4.8
60.82352	0.8
65.89143	0.6
67.05503	7.6
69.07069	4.7
71.05007	0.9
71.08628	3.5
79.05492	7.4
81.07063	9.5
83.08617	1.8
85.06526	2.7
87.90733	0.6
89.13687	0.6
91.05493	4.6
93.07050	5.9
95.04990	0.8
95.08608	8.4
97.06526	1.2
99.08098	1.9
105.07022	5.9
107.08591	6.4
109.06525	20.6
109.10146	3.1
111.08097	1.2
114.95523	0.6
117.06991	1.3
119.08586	5.2
121.10158	3.2
122.07261	2.2
123.08077	30.4
123.11722	0.9
124.08420	1.0
125.09628	0.8
129.07095	0.8
131.08563	1.8
133.10138	3.6
135.08054	3.2
135.11731	0.9
137.09612	0.9
145.10146	1.8
147.11693	2.7
149.09680	1.0
157.10147	1.1
159.11705	1.2
161.13231	0.6
163.14795	0.8
165.12785	1.0
171.11769	0.9
173.13329	1.2
179.14314	100.0
180.14693	4.0
183.11743	0.7
185.13229	0.8
193.15871	2.9
225.26161	0.7
257.19107	1.1
265.45370	0.7
275.20081	3.1
278.89096	0.6
331.26346	3.1
349.27377	72.3
350.27817	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03917	0.5
55.01856	0.7
55.05510	6.2
57.03422	0.6
57.07066	1.8
58.33843	0.5
59.05009	0.5
67.05505	5.1
69.07074	12.6
70.58063	1.1
71.04982	1.8
71.08642	0.7
71.12259	0.4
71.33287	0.5
78.72747	0.4
79.05494	4.1
81.07062	10.0
83.04978	1.4
83.08619	4.5
84.17422	0.4
85.06529	0.8
85.95885	0.4
91.05483	2.3
93.07045	6.2
95.04982	1.0
95.08610	9.7
97.06530	2.1
97.10142	1.0
99.08098	0.7
105.07011	3.0
107.08603	5.7
109.06520	13.9
109.10161	4.6
111.08098	3.0
117.07028	0.7
119.08588	4.9
121.06541	0.8
121.10148	5.3
121.49950	0.4
122.07262	0.7
123.08072	82.1
123.11712	2.0
124.08369	2.3
125.09652	0.5
131.08612	0.8
133.10129	3.4
135.08060	6.7
135.11722	2.3
137.09647	4.9
137.13260	0.9
145.10126	0.9
147.11729	2.2
149.09668	1.6
149.13283	2.4
151.11201	1.1
159.11691	1.5
161.13275	1.4
163.11165	1.0
165.12778	1.0
167.14362	0.5
175.14853	0.8
177.12785	0.9
179.14311	16.5
231.15877	0.7
233.19058	0.8
261.97083	0.5
262.08481	0.5
265.21158	0.5
275.20065	1.4
289.25259	1.2
293.21106	18.6
294.21393	1.1
303.26688	0.5
307.22501	0.7
331.26376	4.0
349.27383	100.0
350.27731	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03937	0.8
53.41649	0.4
55.01864	0.4
55.05512	4.9
57.07077	2.7
60.17560	0.4
62.32391	0.4
62.68694	0.4
67.05508	5.4
69.07068	8.1
69.32539	2.5
71.04989	1.1
71.08622	1.0
74.42461	0.4
79.05495	4.0
81.07059	8.8
83.04960	0.9
83.08619	3.3
85.06522	1.4
85.46341	0.5
91.05479	1.5
93.07047	4.2
95.04974	0.6
95.08607	8.0
96.08935	0.6
97.06540	1.7
97.10183	1.3
98.23404	0.9
99.08100	1.0
101.06027	0.5
102.56319	0.4
105.07045	1.9
107.08603	4.6
108.05809	0.5
109.06525	14.1
109.10152	3.8
111.08076	1.4
119.08586	3.8
121.10149	3.4
122.07276	1.3
123.08070	60.1
123.11675	1.2
124.08404	1.5
125.09611	0.6
125.54776	0.4
131.08540	0.9
133.10121	2.5
135.08034	5.1
135.11678	1.3
136.08849	0.5
137.09599	2.8
145.10133	0.7
147.11693	2.1
149.09653	1.2
149.13219	2.0
159.11711	1.6
161.13280	1.6
163.11270	0.7
165.12788	1.0
167.14359	0.6
175.14706	0.6
177.12737	0.7
179.14302	40.2
180.14636	1.2
193.15941	0.8
231.15907	0.7
233.19028	0.7
238.49046	0.5
275.20029	1.5
278.31754	0.4
289.25287	1.1
293.21100	14.6
294.21637	0.6
303.26794	0.5
307.22855	0.7
313.25305	0.5
331.26248	3.6
349.27359	100.0
350.27710	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	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89230	2.2
53.03941	3.2
55.01866	7.1
56.43021	1.5
57.03427	5.6
59.56577	1.7
60.04519	4.0
61.02925	5.1
62.76998	1.8
67.05489	2.1
68.99777	5.3
69.03079	3.2
69.03432	46.7
69.07056	6.2
71.04993	4.7
71.31380	2.7
73.02914	4.5
81.03061	1.8
81.03432	20.7
81.07062	3.5
85.02906	100.0
86.03243	3.4
86.09727	9.7
87.00830	36.1
93.07056	5.0
95.08595	3.9
97.02895	15.9
98.97604	3.0
99.04464	12.8
102.09181	57.5
105.01875	33.9
107.08586	5.1
109.02878	22.5
112.11286	3.2
117.01876	2.4
117.07008	3.0
126.05599	1.9
127.03915	51.7
129.01833	2.7
133.06430	1.8
135.11671	6.8
137.05980	3.2
138.05443	1.7
144.54112	1.6
145.04962	18.2
147.02878	2.1
153.12659	2.5
157.06487	2.1
157.13380	3.0
158.11758	8.2
159.02899	9.6
161.06013	2.6
166.08617	2.2
189.03986	2.7
231.05016	8.7
308.69174	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62954	7.1
64.17635	8.2
70.06592	31.4
70.20432	18.3
70.20798	17.2
70.67371	8.5
75.64108	7.7
84.04496	19.2
84.08192	17.1
85.02913	14.7
86.09707	12.0
111.04450	35.1
116.07094	8.5
120.08101	30.3
130.04985	14.0
139.03920	82.2
147.07643	10.0
153.05457	8.4
171.06554	100.0
208.10727	9.3
218.04884	10.3
236.05948	10.5
257.64020	9.1
261.05615	12.0
305.50269	7.6
350.09702	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.9
55.01860	3.3
55.05513	22.5
56.96570	7.8
57.03440	13.3
59.97418	3.3
65.03962	6.1
67.05509	54.4
69.07073	17.8
70.15259	3.4
70.96822	4.2
71.04998	8.4
71.08627	17.3
71.30338	5.4
79.05498	53.1
80.05828	3.6
81.03429	5.6
81.07052	34.6
82.07391	5.9
83.04988	14.2
83.08635	12.6
91.05477	58.4
92.05801	3.4
93.07050	40.1
94.07464	3.5
95.04985	26.8
95.08617	20.0
97.06558	11.8
97.10127	3.9
99.08102	13.0
103.05470	7.4
105.04560	5.5
105.06964	25.3
105.73254	3.2
107.04977	7.7
107.08602	22.6
109.06535	8.6
109.10158	9.3
115.05444	27.9
117.06992	27.0
119.08585	13.7
120.08961	3.6
121.06528	6.9
121.10159	6.7
128.06223	36.5
129.07004	37.6
131.08560	7.9
133.10175	8.6
135.08130	4.6
135.11688	8.5
135.90488	3.5
141.06981	24.1
142.07780	20.4
143.08598	14.2
145.06473	3.7
145.10179	4.6
147.08083	5.7
147.11711	10.2
149.09615	8.1
150.09967	4.9
151.11214	6.6
152.06189	5.1
153.07004	10.5
154.07706	8.3
155.08585	14.6
156.09348	8.4
157.10104	12.4
159.08034	6.5
161.13359	8.3
163.11252	6.1
165.07014	23.6
166.07797	12.6
169.06404	4.4
169.10188	5.6
171.08057	16.1
171.11926	9.2
175.14893	7.1
179.14339	5.0
181.10168	3.4
195.09953	9.9
199.14891	4.0
238.40585	4.0
241.19560	5.7
259.20700	8.2
277.21503	18.4
285.32504	3.6
332.15903	6.0
350.16910	7.9
350.20483	5.5
350.23715	4.7
351.21478	100.0
351.25336	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	351.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40414	2.5
68.70593	2.8
69.26033	5.8
69.26433	14.7
130.41754	2.5
142.91713	2.8
171.48775	2.9
195.62148	3.2
208.48685	3.1
243.90157	3.3
314.48068	3.0
351.06860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.7
59.04085	2.4
69.03461	3.0
69.86004	4.7
69.86403	7.1
98.23378	2.8
98.97613	12.8
101.00881	5.7
104.03075	2.6
110.97554	2.7
112.99203	3.8
113.00851	3.2
115.02445	3.4
116.98590	4.3
131.01918	5.4
140.98569	2.6
145.03497	3.9
147.05038	17.8
153.03972	4.6
155.01950	3.4
158.99753	3.2
171.04959	12.0
171.22441	2.7
173.02928	3.8
183.05032	3.7
189.06058	18.9
200.20854	2.7
201.00804	3.5
201.06088	16.1
203.04123	3.7
203.07649	5.1
213.06155	2.7
219.01724	3.4
221.05023	5.0
225.06120	6.8
225.13641	2.6
237.02837	7.1
291.09354	40.3
292.09671	4.6
309.10724	12.2
351.06903	100.0
351.11737	18.3
352.06873	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	1.0
56.96303	1.3
56.96565	17.4
69.03413	1.1
70.06580	2.7
70.91933	0.6
71.31055	0.9
71.95258	0.9
72.08154	1.4
74.06035	0.9
74.97647	0.7
81.03411	0.8
84.04492	1.4
84.08143	15.3
84.96026	3.7
85.02908	0.9
86.09702	2.4
97.02879	0.6
98.97585	100.0
99.97920	0.9
110.07143	1.4
110.97573	10.5
112.99124	2.2
116.98624	45.0
117.98995	0.7
119.01957	0.6
120.08111	10.8
120.08936	1.1
127.00735	0.8
128.98625	10.2
129.02310	1.3
129.10252	9.1
130.08636	3.1
131.00192	2.5
134.99646	11.8
140.00212	1.2
140.98637	1.5
143.00218	3.2
144.98091	2.0
145.01752	2.1
145.02823	1.1
146.99649	5.5
147.03270	3.8
147.11293	4.6
149.01257	1.1
152.98624	2.0
153.00734	0.9
158.99654	32.0
160.04510	1.1
161.01205	3.0
162.99211	1.1
163.02802	2.1
165.04385	4.6
170.99684	3.3
171.03322	2.8
175.02710	0.8
177.00719	34.2
177.05566	1.4
177.10254	2.4
178.01089	0.7
186.12402	2.4
188.03871	0.8
189.00732	3.2
189.04341	10.6
190.04977	1.0
190.14339	0.9
193.03883	1.1
195.01855	1.8
200.02448	0.9
201.00758	2.1
201.04346	0.7
203.03976	0.7
204.13461	1.3
205.03700	0.9
205.09813	0.7
207.05443	3.2
219.01768	13.8
219.05313	1.1
221.21869	0.6
230.94363	0.9
231.05469	3.0
237.00380	1.2
237.02817	25.0
238.03409	0.9
243.05658	0.8
249.06578	1.6
255.03909	1.1
263.06226	0.8
291.07483	25.9
292.07822	1.2
309.08563	84.4
310.08939	3.8
314.12247	0.6
332.10294	2.0
337.54419	0.7
351.09741	25.9
351.19894	3.9
352.09830	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1287
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.01864	8.4
55.05509	27.3
57.03440	9.8
59.49529	6.7
64.27496	6.6
67.05512	26.7
69.03441	21.7
69.17162	46.5
71.04992	16.7
74.76074	6.2
79.05508	24.2
80.30206	6.5
81.03438	18.6
81.07066	25.3
83.04984	100.0
83.08639	8.4
84.04533	12.6
85.02924	16.7
86.09699	19.6
91.05479	17.6
92.70217	6.7
93.07059	18.3
95.01318	7.1
95.04967	15.7
95.08621	7.4
97.06554	14.4
100.07623	7.6
101.32963	5.8
103.05534	6.7
105.07044	23.1
107.08636	8.9
109.02922	12.3
109.06499	15.6
112.30193	7.4
113.06048	11.3
117.03350	7.6
117.07027	17.8
118.42553	7.3
119.08582	14.4
121.06477	10.2
121.10152	7.6
128.06284	7.0
130.05067	7.5
131.08556	15.2
133.10173	10.2
135.04362	7.3
135.08034	7.8
137.06020	23.1
143.08525	8.7
145.10133	19.5
147.04469	8.7
147.08031	10.4
157.08629	18.5
159.08083	6.6
161.09628	12.5
163.03908	8.3
163.11247	12.3
170.08148	21.6
173.09763	10.7
175.09750	13.4
175.11198	10.6
187.11182	12.5
191.10707	11.2
215.10817	8.7
269.03696	7.3
287.04529	6.9
287.10217	8.5
305.13773	9.2
320.28699	6.7
333.10828	11.5
333.14264	14.8
351.10999	25.7
351.15216	34.4
352.72784	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	351.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.6
55.05511	12.7
56.96571	57.1
59.44750	6.1
67.05499	25.8
68.38960	6.5
69.07062	11.9
69.69508	11.6
69.69895	13.7
79.05486	22.1
79.25206	6.4
81.07047	37.7
91.05495	28.0
93.07059	31.2
93.55344	7.1
93.56705	6.4
95.04974	12.8
95.08613	22.9
97.06571	12.6
105.07054	25.9
106.13689	7.1
107.08611	15.4
109.06530	33.3
109.10162	12.5
119.08594	27.4
121.06533	7.6
121.10162	18.0
123.08109	8.5
132.51871	6.8
133.10133	15.6
135.11725	17.9
145.10149	8.8
147.11691	11.9
150.20670	7.5
159.11678	9.8
161.13278	14.1
165.12802	35.5
199.06516	17.8
211.06485	8.0
213.08003	33.2
217.07489	14.5
229.07477	100.0
231.09074	41.2
241.19463	8.6
247.08507	47.1
255.25536	9.6
259.20679	24.2
261.10168	11.1
289.21655	37.3
333.17365	15.8
351.18378	49.1
351.25226	73.4
369.19485	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16044	8.0
54.03764	7.9
55.01878	15.5
55.05510	28.9
56.87001	7.2
56.96561	47.1
57.03444	22.8
58.33400	9.3
61.68494	7.1
64.47038	8.1
67.05506	55.2
69.07068	25.0
69.54661	33.7
71.08634	21.6
79.05500	67.3
80.94866	13.0
81.07059	82.7
81.31504	8.9
83.04983	10.2
83.08630	22.6
90.44099	9.4
91.05495	35.6
93.07047	88.8
95.04945	9.4
95.08622	38.8
97.06561	13.0
99.08107	25.7
105.07009	39.8
107.08601	33.4
109.06488	14.9
109.10152	18.0
111.04437	20.1
111.08080	10.1
111.27998	7.5
111.30238	7.2
119.08569	46.4
120.08075	7.9
121.10143	33.2
123.08071	8.8
131.08615	15.9
133.10168	31.6
135.11681	39.4
137.05991	56.6
145.10132	25.7
147.11705	33.7
149.13281	31.2
151.11264	8.7
159.11748	21.9
161.13260	15.8
163.76474	7.8
165.12820	24.0
171.11873	10.5
172.12259	11.4
175.14828	18.5
185.13293	9.8
208.95729	8.9
213.07980	11.9
217.07562	22.9
229.07590	30.8
231.09111	28.1
237.83208	8.6
241.19495	23.6
243.09056	26.0
247.08549	27.4
259.20602	40.5
277.17993	25.1
277.21561	26.6
279.47949	7.5
333.17383	38.4
334.17700	10.9
351.18430	100.0
351.25156	84.4
369.19461	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.3
50.16367	0.3
55.01859	0.4
55.05510	0.8
57.03434	0.9
59.21037	0.4
67.05502	1.4
69.49042	0.6
69.49457	1.6
71.00016	0.4
71.19891	0.3
79.05503	1.9
81.07069	4.4
83.04994	0.5
91.05499	0.9
93.07056	1.6
95.08598	0.7
102.88711	0.3
105.07059	1.1
107.08591	1.0
109.06515	1.6
109.10143	0.5
111.04463	1.4
119.08595	0.9
121.10159	1.1
131.08611	0.4
133.10146	1.1
135.11731	1.3
137.05980	9.2
143.08597	0.4
147.11707	1.0
159.11734	0.6
161.09665	0.8
161.13261	0.5
175.14740	0.3
179.10518	0.6
195.09898	1.9
201.09747	0.7
203.17943	0.9
213.09732	0.8
227.21367	0.4
231.10783	1.4
231.17482	0.9
236.52589	0.3
236.73907	0.3
241.19589	0.5
249.18588	1.0
259.20767	0.8
277.18008	3.8
289.21487	1.0
305.20819	1.4
333.20511	2.0
351.21432	100.0
352.21716	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05507	1.7
56.62997	0.5
64.69025	0.6
65.18711	0.6
66.07272	0.5
67.05506	2.1
69.07059	0.8
69.70423	2.8
71.04991	0.7
79.05497	1.9
81.07071	2.7
91.05458	1.2
93.07050	2.4
95.04980	1.0
95.08611	1.4
98.23335	0.8
105.07050	1.9
107.08549	1.5
109.10152	0.7
119.08584	1.5
121.10138	1.8
125.09617	0.5
133.10115	1.1
135.11690	0.9
136.83255	0.6
145.10088	0.9
147.11699	1.5
149.13368	0.6
154.61099	0.5
159.11746	0.8
161.13220	0.8
181.10226	0.6
259.20590	1.1
277.21414	0.9
333.20526	0.9
351.21396	100.0
352.21747	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	351.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26581	0.9
53.03932	1.3
55.05508	5.9
56.63484	0.9
57.03440	1.9
57.07058	2.2
65.63498	0.9
67.05509	15.9
69.07074	4.7
71.04997	2.8
71.07439	1.6
71.07774	0.9
79.05492	18.7
81.07058	16.3
82.07420	1.0
83.04977	1.1
83.08616	3.1
85.06538	2.2
86.16825	1.0
91.05491	16.8
92.05820	1.4
93.07046	26.7
94.07354	1.3
95.04969	1.4
95.08611	11.5
97.06522	1.6
99.08096	1.6
105.07034	17.8
107.04918	1.1
107.08597	11.7
109.10151	4.0
111.07995	0.9
117.07031	4.0
119.08576	16.7
121.10120	9.1
123.07998	1.1
123.11727	2.1
125.09669	1.1
129.07013	2.6
131.08597	8.4
133.10136	13.8
135.08136	1.0
135.11687	10.6
142.07838	1.0
143.08575	4.2
145.10114	8.2
147.11694	14.4
149.13300	6.0
157.10132	3.1
159.11673	5.8
161.09616	1.4
161.13274	11.2
163.11223	1.7
163.14815	2.5
171.11726	3.4
172.12039	1.0
173.13304	1.5
175.11201	1.3
175.14899	5.8
183.11781	1.2
185.13289	3.8
187.14868	2.0
191.14326	1.0
194.73991	1.0
199.14830	1.9
217.19574	1.1
231.17534	1.1
231.21153	2.5
241.19547	9.9
259.20596	26.4
260.21027	2.2
269.51904	1.0
277.21613	1.9
333.20404	4.3
333.24179	1.9
351.21432	100.0
351.25320	12.1
352.21600	7.1
352.25479	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2139
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.68637	0.6
53.79222	0.5
59.79422	0.6
70.93328	1.0
78.41515	0.5
87.58669	0.5
226.88765	0.7
235.12978	0.9
268.96240	0.6
333.20541	1.3
351.21408	100.0
352.21774	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	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
57.07064	1.0
59.05014	2.2
67.05492	3.1
69.40012	5.8
70.25149	1.0
75.98183	1.0
81.07057	2.2
93.36649	1.1
95.08617	1.2
101.05375	1.8
101.06020	25.8
103.92812	0.9
105.07059	1.5
107.08585	1.5
116.55952	1.2
121.10162	1.2
135.11621	1.3
145.28528	1.2
205.01985	1.1
231.08084	1.7
247.07658	1.1
248.08321	1.6
259.07611	1.8
261.05472	1.1
276.07712	2.5
291.10251	3.7
293.07941	1.6
319.09485	2.8
351.12570	7.8
351.21426	100.0
352.21686	8.4
360.60583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.70957	0.6
55.05508	1.2
56.96563	1.3
57.03432	0.9
67.05495	2.4
69.39315	2.6
69.39717	1.5
71.08666	0.6
79.05505	0.8
80.94824	1.0
80.98270	0.6
81.07054	3.3
81.71681	0.8
91.05481	1.0
93.07057	1.6
95.08619	2.3
99.08102	1.5
105.07055	1.2
107.08607	1.9
109.06516	0.9
109.10143	1.2
119.08600	0.8
149.92165	0.7
167.10587	0.8
171.11926	0.8
172.55147	0.6
180.70959	0.7
195.09943	5.1
205.08037	0.6
277.21835	1.0
289.21445	1.9
305.21063	1.2
334.27573	1.2
351.21448	100.0
352.21814	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89522	3.1
53.03945	5.4
55.01871	6.9
55.05517	23.3
57.03432	6.8
57.07073	6.6
58.65230	2.5
60.35168	2.8
67.05505	44.6
69.03450	2.5
69.07072	21.5
71.08629	3.3
74.58500	3.1
79.05497	61.6
81.07060	60.9
83.04961	3.9
83.08636	10.1
85.06554	5.4
91.05489	55.0
91.17240	2.6
93.07050	84.8
95.04982	19.9
95.08610	46.9
97.06551	9.9
97.10130	4.2
98.12878	2.7
98.22568	7.2
99.08115	8.4
100.05141	2.6
100.64738	2.6
105.07024	61.9
105.07674	4.8
105.58344	2.7
107.08595	48.0
109.06527	40.3
109.10176	17.6
117.07021	12.9
119.08580	55.8
121.06517	9.9
121.10153	37.6
123.08102	4.6
123.11720	3.2
129.07013	9.2
131.08551	22.5
133.10127	51.0
134.10541	3.2
135.11687	34.2
137.09654	7.1
143.08594	11.8
145.10118	24.1
147.11690	47.4
149.09619	3.7
149.13292	22.7
157.10120	10.9
159.11739	18.0
161.13266	34.1
163.11221	7.8
163.14859	3.7
165.12764	62.1
169.10104	2.7
171.11728	16.8
173.13237	13.6
175.14835	17.4
177.12802	3.2
179.14403	3.3
185.13303	12.1
187.14865	4.4
191.14333	6.1
199.14827	10.8
203.14368	3.0
205.15807	2.8
213.16359	5.0
221.15440	2.8
231.21112	6.5
233.15327	3.9
241.19522	27.2
259.20612	84.3
260.20871	4.9
261.22125	7.0
277.21603	6.5
289.21597	35.7
333.24265	3.7
334.24506	3.0
342.96048	2.6
351.21988	4.4
351.25327	100.0
352.25616	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.01878	10.8
55.05274	2.4
55.05516	29.5
57.03437	20.3
57.07068	5.8
59.04961	1.6
65.03936	3.2
67.05506	78.1
69.03419	3.2
69.07065	26.5
70.36086	4.2
71.04997	4.8
71.08633	68.3
79.05495	59.6
80.94855	3.2
81.03410	8.7
81.07057	67.4
83.04977	16.4
83.08627	13.7
85.06540	5.8
91.05482	46.7
93.07045	78.8
94.07368	2.0
95.04967	26.5
95.08608	54.9
97.06517	15.1
97.10162	9.1
99.07468	3.6
99.08092	51.5
105.07028	32.0
106.07378	1.8
107.04942	7.3
107.07856	2.5
107.08590	43.5
108.08895	2.5
109.06509	20.9
109.10159	30.6
111.08080	2.8
113.09686	2.4
113.45863	1.9
117.07036	5.1
119.08568	30.8
121.06501	4.4
121.10144	34.6
123.08051	5.7
123.11717	3.6
125.09622	6.7
129.06972	3.8
131.08562	9.0
133.10126	23.1
133.79811	1.7
134.42368	2.1
135.08038	3.4
135.11693	40.1
137.09618	23.2
139.11201	4.6
141.09113	2.9
143.08582	2.9
145.10107	6.8
147.08040	2.7
147.11691	12.0
149.13243	14.2
151.11191	23.7
151.14761	2.8
153.12773	2.9
159.11726	5.4
161.13266	14.4
163.11153	12.9
163.14833	4.5
165.11369	2.9
165.12747	45.5
167.10657	8.9
171.11688	5.9
173.13240	5.3
175.14848	3.5
177.12767	5.3
179.14314	100.0
180.14709	2.3
181.12195	4.3
185.13348	2.0
189.12769	2.7
191.14305	6.4
201.12828	1.9
215.79469	1.9
221.15419	4.7
235.16971	6.7
236.20029	2.7
241.19554	3.2
249.22076	3.1
259.20651	12.6
277.21616	41.5
278.22064	3.0
288.31766	1.8
289.21616	18.2
333.24341	3.7
334.27390	5.3
351.21463	5.6
351.25278	70.5
352.25232	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	351.2529
Annotation	3alpha,20alpha,21-Trihydroxy-5beta-pregnan-11-one
Peak:m/z	Relative Intensity
53.03946	2.8
54.02492	1.0
55.01868	4.5
55.05511	10.7
55.64809	1.0
57.03429	2.8
57.07086	5.7
65.91570	1.0
67.05508	18.0
69.03428	3.0
69.07064	12.2
69.12289	9.4
71.04993	2.7
71.08647	8.6
79.05499	12.4
81.03409	4.7
81.07064	23.9
83.04970	2.8
83.08637	3.2
85.06536	2.9
85.89986	1.1
91.05492	10.5
93.07050	17.8
95.04971	23.8
95.08616	15.3
96.04681	1.0
97.06531	5.5
97.10173	2.2
98.23402	2.4
99.08106	6.7
101.06081	1.1
105.07038	10.9
107.08591	10.6
109.06526	41.7
109.10159	8.0
110.06887	1.0
111.08085	1.5
117.07092	2.1
119.08601	10.2
121.06514	7.1
121.10148	6.2
123.08079	3.8
131.08540	5.9
133.10132	6.1
135.08044	6.6
135.11699	1.2
137.09628	4.5
139.11163	1.8
141.09125	1.2
143.10715	1.5
145.10129	5.9
147.11674	4.2
149.09641	1.6
149.13266	1.6
151.11218	4.7
153.12770	2.3
157.10152	1.1
159.11699	2.6
161.13260	3.2
163.11197	3.8
163.14804	1.5
165.12761	100.0
166.13107	3.5
173.13300	4.0
175.11246	1.9
177.12776	3.0
179.14348	2.5
187.14944	1.4
189.12962	1.2
191.14325	8.8
205.16008	1.9
221.15364	1.3
229.14206	1.2
233.15344	1.2
243.21089	2.0
247.20583	1.2
259.20755	1.6
261.22134	5.3
271.20508	2.1
277.21701	5.4
289.21631	44.9
290.22052	2.4
295.19083	3.0
307.22647	1.2
333.24286	8.1
351.25320	71.0
352.25592	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50777	1.3
53.03944	5.8
54.10334	1.5
55.01869	3.6
55.05268	1.8
55.05519	21.0
55.34472	1.2
57.03442	10.8
57.07075	4.2
65.03930	2.5
67.05511	48.5
69.07081	17.4
71.05009	7.1
71.08637	2.0
74.83333	1.6
75.04467	1.8
79.05501	67.7
81.06585	3.4
81.07067	71.5
83.05015	7.7
83.08617	11.1
85.06541	6.2
91.05485	49.8
93.07055	94.8
94.07392	2.0
94.59525	1.6
95.04967	6.0
95.08615	54.8
97.06547	4.2
97.10168	4.0
98.23393	2.6
99.08083	6.3
99.96790	1.4
101.05991	1.7
105.04509	2.6
105.07042	59.6
107.08601	57.2
109.06528	6.2
109.10159	18.0
111.04469	4.1
111.08096	3.4
113.09659	2.3
115.05499	2.7
115.20227	1.3
117.07044	10.4
119.08595	53.3
120.08908	2.3
121.06452	1.9
121.10160	47.6
123.08076	3.3
123.11713	4.5
125.06011	1.8
125.09632	2.8
129.06993	8.5
131.08591	22.1
133.10139	50.5
134.10533	2.2
135.08084	2.5
135.11708	48.9
137.05969	28.2
137.09599	3.7
137.13306	2.6
139.11169	2.2
143.08588	11.1
145.10144	27.6
146.10616	1.7
147.08128	1.8
147.11702	50.3
149.09628	4.6
149.13274	30.3
151.11211	3.6
156.09261	1.5
157.10141	10.8
159.11690	17.5
161.09625	5.5
161.13271	35.8
162.13570	1.8
163.11212	6.8
163.14821	10.9
171.11720	12.8
173.13240	10.3
175.11162	3.2
175.14856	19.9
177.12814	4.3
177.16406	1.5
179.14331	2.1
181.12210	2.1
185.13258	14.6
187.14868	4.0
189.16360	2.9
191.14290	2.2
199.14838	7.2
203.14296	2.7
213.16351	5.7
217.15897	2.3
217.19481	4.8
231.17426	6.5
231.21028	7.2
235.17017	2.0
241.19511	31.9
242.19933	3.3
251.99930	1.5
259.20596	100.0
260.20862	6.5
277.18018	9.7
277.21616	19.3
309.20554	2.0
333.24203	10.2
351.21381	24.0
351.25317	55.4
352.25690	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58406	2.8
53.03941	5.8
55.01873	6.9
55.05513	37.1
57.03446	18.5
57.07077	10.2
65.03932	5.4
67.05507	99.9
68.45718	3.2
69.03422	3.9
69.07067	30.4
70.34772	8.4
71.05003	6.6
71.08636	58.0
79.05496	94.9
81.03422	12.4
81.07059	84.6
83.04991	7.4
83.08624	13.2
85.06547	5.6
91.05485	64.7
91.06010	5.5
93.07045	100.0
95.04971	13.3
95.08608	55.2
97.06528	10.1
97.10160	8.8
99.08092	41.3
105.07030	71.1
107.04966	5.6
107.08604	70.7
109.06506	8.2
109.10159	33.7
111.08091	4.2
117.06993	15.3
119.08576	50.0
121.10138	37.5
123.08037	3.9
123.11716	7.3
125.09625	7.4
129.07022	11.2
131.08562	20.7
133.10135	50.7
135.11700	41.6
143.08585	12.3
145.10144	22.9
147.11694	48.5
149.09636	6.6
149.13258	23.4
151.11188	29.6
151.79132	2.9
157.10190	12.2
159.11723	18.2
161.13268	48.3
163.11203	19.2
163.14786	6.0
165.12791	4.6
171.11728	11.5
173.11815	3.4
173.13242	12.7
175.14803	19.4
177.12764	5.6
179.14337	16.5
185.13232	14.3
197.13145	3.2
199.14796	7.2
203.14310	3.9
213.16331	5.1
217.19514	4.7
231.21115	7.8
241.19540	33.6
246.35880	3.2
259.20605	83.1
260.20993	6.1
269.66797	3.4
277.21619	38.1
351.21381	37.2
351.25327	70.8
352.25824	5.9
362.50693	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
55.01871	6.7
55.05507	28.1
56.96551	11.4
57.03431	11.7
57.07079	7.0
67.05502	73.5
69.07069	26.7
69.32327	4.8
71.01433	7.2
71.08614	6.0
72.10446	4.4
74.79942	4.2
79.05492	73.1
80.94849	10.4
81.03423	10.6
81.07059	65.5
83.04992	6.3
83.08614	9.9
83.49712	4.0
91.05482	55.3
93.07047	94.0
95.04969	13.6
95.08614	53.0
97.06541	8.9
99.08088	6.3
105.04543	4.8
105.07015	67.5
107.08600	55.2
109.06514	28.6
109.10184	23.0
117.07060	9.6
117.60305	4.6
119.08569	55.4
119.09351	6.8
121.06507	8.6
121.10114	42.1
123.11703	5.6
131.08586	25.3
133.10112	41.7
135.08084	4.3
135.11684	44.1
143.08606	12.5
143.34232	4.5
145.10098	26.6
147.11681	58.2
149.13301	28.6
151.11148	10.0
157.10147	9.3
159.11726	18.6
161.13200	34.7
163.11154	10.9
163.14717	8.4
165.12781	28.7
171.11736	18.2
173.13243	11.6
175.14867	19.3
179.14233	8.3
185.13229	11.0
199.14835	7.2
213.16348	5.9
241.19516	34.4
259.20560	97.8
277.21524	24.0
283.59103	4.8
289.21573	27.4
295.18964	6.5
333.17630	8.6
333.24246	11.7
351.18558	10.0
351.21472	7.5
351.25345	100.0
352.25565	8.7
369.19403	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.8
51.89481	1.6
53.03950	9.3
53.32722	1.6
55.01860	4.5
55.05271	2.5
55.05513	36.0
57.03440	46.6
57.07071	4.4
59.04990	2.3
65.03952	3.9
67.05508	84.2
68.05835	2.0
69.07064	20.9
69.68118	2.8
69.68511	6.0
71.04980	6.1
79.05497	81.4
81.07060	84.2
83.04976	6.4
83.08634	18.6
85.06538	7.3
91.05489	67.5
93.07050	100.0
94.07382	2.7
95.04969	8.2
95.08608	63.8
96.08943	2.8
97.06540	6.0
97.10168	5.9
98.23394	3.5
99.08080	6.7
105.07034	61.5
106.07346	2.7
107.04932	1.8
107.08600	62.6
108.08931	3.2
109.06516	7.0
109.10157	30.1
111.08094	5.6
111.11651	2.0
117.07040	12.8
119.08582	52.5
120.87037	1.9
121.06563	2.6
121.10147	56.7
123.08086	6.2
123.11710	8.5
125.09647	4.0
128.06184	1.7
129.06992	6.3
131.08563	24.8
133.10120	43.7
135.08078	2.7
135.11700	43.1
137.09601	4.4
137.13301	2.9
143.08560	7.2
145.10138	23.0
147.11690	47.1
149.09604	4.6
149.13255	28.5
151.11191	4.8
157.10120	10.9
159.11700	20.6
161.13254	29.0
163.11185	4.4
163.14819	5.6
165.12743	5.0
171.11624	10.5
173.13249	11.9
175.11163	1.9
175.14827	11.8
177.12762	5.6
183.28220	2.0
185.13246	11.8
187.14821	13.7
199.14845	7.7
201.16408	2.6
205.15926	5.4
213.16397	4.4
217.19516	2.3
219.11848	1.7
221.19000	5.2
231.17444	2.6
231.21062	5.7
241.19519	21.9
259.20575	61.6
260.20956	3.6
261.22263	2.1
277.21658	27.7
285.03784	1.9
306.21191	2.5
333.24359	6.9
351.25314	78.3
352.25729	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.4
54.10828	1.6
55.01874	5.4
55.05259	1.4
55.05508	25.0
55.68896	1.6
56.96569	1.9
57.03438	22.0
57.07075	5.2
59.05003	1.7
63.31301	1.5
65.03939	2.6
67.05507	67.0
68.05834	1.6
68.86357	1.4
69.03434	1.6
69.07069	21.8
69.41240	1.3
70.17538	3.6
70.17876	1.4
71.04993	3.8
71.08634	55.5
79.05495	57.8
81.03408	7.1
81.06580	3.3
81.07059	66.3
83.04995	9.8
83.08609	15.7
85.06552	5.5
91.05486	40.4
91.06065	1.6
93.07044	81.4
95.04977	13.7
95.08605	47.7
97.06528	13.5
97.10178	6.0
99.08087	37.8
105.04546	1.8
105.07030	27.6
107.04953	7.8
107.08593	42.8
109.06520	7.3
109.10162	23.0
111.08083	4.8
111.11700	1.7
113.09631	3.5
117.07011	6.9
119.08565	23.8
121.10149	33.6
123.08073	2.5
123.11713	4.5
123.17675	1.7
125.09635	2.6
127.11250	1.7
128.35414	1.8
129.07013	3.6
131.08556	10.0
133.10136	22.7
135.08047	2.5
135.11687	42.1
137.06009	3.0
137.09622	3.8
137.13240	2.5
139.11246	1.7
141.09132	4.5
143.08569	3.9
145.10123	6.1
147.11688	15.3
149.09573	2.6
149.13283	16.4
151.11189	19.9
157.10199	4.6
159.11670	9.1
161.13251	18.6
163.11172	7.9
163.14824	4.2
165.12727	3.6
167.10713	3.0
171.11740	4.2
175.11124	2.0
175.14818	4.7
177.12781	6.0
179.14314	100.0
180.14604	3.1
180.89671	1.5
185.13268	5.2
189.12828	4.4
195.13794	1.8
213.16110	1.6
221.15355	4.5
235.16917	5.7
241.19501	5.7
259.20575	16.2
277.21625	38.4
278.21890	2.0
289.21640	2.3
351.18356	4.6
351.25250	42.2
352.25583	3.5
369.19446	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.3
55.01880	3.7
55.05515	16.7
56.47884	3.0
56.96571	3.9
57.03440	4.9
57.07085	4.8
57.52887	2.8
65.57571	3.1
67.05506	45.3
69.07076	18.1
71.04984	3.6
71.08632	5.7
79.05501	59.5
79.53539	3.1
80.94881	6.1
81.07060	55.5
83.04995	6.6
83.08627	7.6
85.06557	4.4
91.05482	59.3
93.07050	80.1
93.07630	5.5
95.04990	8.1
95.08607	43.5
96.66973	3.5
97.06548	3.4
97.10186	5.6
97.40448	3.3
99.08101	5.7
103.05475	3.1
105.07024	68.6
107.08598	48.8
109.06517	18.1
109.10185	14.7
111.08125	3.1
113.09649	4.2
117.07037	13.4
119.08572	53.5
121.06519	6.6
121.10160	39.7
123.11725	5.9
129.07030	9.6
131.08569	24.0
133.10126	52.3
134.10518	3.6
135.08130	4.7
135.11694	41.2
143.08617	13.6
145.10127	24.6
147.11699	51.9
149.09642	4.8
149.13226	21.7
151.11211	4.6
157.10196	11.9
159.11685	20.6
161.13260	43.7
163.11166	7.3
163.14854	8.4
165.12779	14.4
171.11676	18.4
173.13307	14.9
175.11127	3.7
175.14818	14.5
180.81293	2.9
185.13287	14.1
199.14870	8.7
213.16437	4.4
217.07584	5.6
228.87720	4.0
229.07578	3.2
231.17543	3.5
231.21083	12.4
241.19456	30.4
259.20596	100.0
260.20801	6.4
261.22299	3.5
277.21732	8.9
279.84094	3.3
289.21677	15.9
333.24152	5.0
351.21405	17.6
351.25229	83.2
352.25568	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01874	38.2
55.05515	49.0
55.53208	2.0
57.03442	33.9
57.07080	17.9
65.03932	4.2
65.23231	2.6
66.27843	2.0
67.05509	100.0
69.03416	6.4
69.07075	38.5
71.04986	9.3
71.08636	76.4
79.05496	70.4
80.05836	2.6
81.03426	16.6
81.07062	96.0
82.07387	2.9
83.04971	17.7
83.08624	24.0
85.06542	6.9
85.10184	26.4
91.05488	54.6
93.07053	73.6
95.04974	20.2
95.08612	67.2
96.08937	3.7
97.06553	13.6
97.10184	12.3
98.23412	7.2
99.08098	52.9
105.07031	45.6
106.07356	3.0
107.04956	12.7
107.08598	44.9
109.06525	8.8
109.10155	33.3
111.08075	39.5
113.09647	21.6
117.07027	14.4
119.08578	33.8
119.29729	2.5
121.06513	4.1
121.10150	30.6
123.08081	7.7
123.11694	8.0
125.09644	8.2
128.06273	2.5
129.07004	7.6
131.08560	13.4
133.10144	27.5
135.08044	7.1
135.11707	33.1
137.09618	9.2
137.13235	4.3
139.11189	3.5
139.71660	1.9
143.08543	9.2
145.10129	18.2
147.11707	23.6
149.03979	2.3
149.09622	7.5
149.13255	14.9
151.11188	31.8
153.09193	3.1
153.12726	4.0
154.13268	2.3
157.10146	7.4
159.11694	9.0
161.09608	4.0
161.13292	26.2
163.11183	26.2
163.14836	7.4
165.12770	18.5
169.10625	2.6
171.11716	9.5
173.11885	2.7
173.13336	6.5
175.11174	4.0
175.14813	7.6
179.14316	17.5
185.13300	7.0
187.13214	3.9
189.12762	5.9
189.16434	2.8
193.16002	4.0
197.11809	2.7
199.14815	4.4
203.14258	4.7
207.13756	3.8
217.19524	3.2
221.15384	5.5
231.08195	2.5
231.21063	3.3
233.10057	2.8
235.17168	2.7
241.19516	9.5
248.08264	4.1
249.22220	8.0
259.20624	19.8
277.21646	76.6
278.21869	4.8
290.09149	3.0
291.10300	3.0
292.22528	2.2
295.22751	3.8
301.00131	2.2
319.09573	6.2
346.03302	3.7
351.12360	13.4
351.21362	46.9
351.25345	55.0
352.21732	3.9
352.25632	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01883	8.6
55.05502	3.2
57.03426	11.7
61.02932	5.4
62.29131	2.9
65.03941	6.6
67.05508	12.0
69.03072	5.1
69.03431	51.5
69.07058	5.8
70.06593	3.9
70.62062	6.2
71.04987	12.4
73.02914	3.4
79.05492	13.2
81.03425	30.5
81.07056	10.9
84.08161	6.8
85.02909	74.5
85.06552	22.9
87.00827	33.5
87.02712	4.9
87.05577	3.1
91.05488	25.3
93.07068	6.9
95.04975	7.2
95.08657	8.0
97.02895	65.6
97.06541	8.0
99.04440	21.2
102.09171	6.0
103.05481	5.1
104.98303	6.5
105.01878	35.4
105.07039	12.0
107.05013	5.5
107.08618	5.7
109.02888	15.2
109.06551	3.6
114.76393	3.2
115.04026	3.5
115.05480	11.6
117.07006	10.0
119.08559	5.2
120.08115	13.5
121.06535	8.6
121.10182	5.3
123.08062	3.2
125.04232	4.0
127.03920	100.0
128.06213	8.9
129.07065	7.2
130.07761	3.6
131.04955	3.5
135.08086	5.8
136.06158	14.2
136.07588	10.5
145.04967	57.1
145.06206	4.6
145.06494	3.6
147.04385	4.8
148.09697	15.6
159.02975	9.3
165.09129	4.7
173.09634	5.7
177.09122	4.5
187.02504	8.9
191.14340	12.0
195.10216	4.0
207.11302	9.3
220.11949	10.2
231.05016	47.1
249.06094	19.7
270.17105	3.3
288.10898	9.8
334.11398	17.1
352.12430	11.4
353.13498	3.4
353.19498	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	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.4
55.01870	15.5
55.05495	2.6
57.03426	8.6
61.02920	7.0
65.79495	2.4
65.95893	2.0
68.81769	2.1
69.03080	3.0
69.03431	39.5
69.07078	11.6
69.34269	15.0
70.03754	2.1
71.04975	4.9
71.91346	2.3
73.02918	8.6
79.05477	8.2
81.03409	27.3
81.07061	11.8
85.02905	100.0
85.03426	5.2
85.06538	6.5
87.00826	42.6
91.05473	6.5
93.07027	10.9
95.08604	2.6
97.02892	37.5
97.06513	3.8
99.04438	14.9
103.03932	3.4
105.01862	53.5
105.07015	4.2
107.08581	4.1
108.04508	2.6
109.02866	25.5
111.08081	15.0
112.24710	1.8
114.08627	2.6
115.03955	4.1
117.01859	4.3
119.08576	2.4
121.06495	3.7
123.08022	2.5
127.03909	64.0
129.01828	3.8
131.08513	2.6
135.07991	3.8
137.09549	2.7
145.04956	39.5
147.02885	4.2
147.08070	6.4
153.09132	13.1
159.02882	20.0
159.08107	2.5
160.08574	2.1
165.09126	11.5
177.09093	16.5
183.10391	2.1
189.03928	8.9
195.10172	32.3
196.10315	2.0
231.04970	17.2
249.06041	6.3
281.10144	4.5
341.43979	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05514	17.4
56.05843	4.2
57.03423	5.8
57.07060	2.6
62.43606	1.8
67.05507	41.4
68.05841	9.7
69.07066	20.0
69.60734	9.5
69.93138	1.5
70.07410	4.5
70.83674	1.9
71.04991	3.7
79.05496	57.1
80.05830	19.1
81.07060	53.6
82.07379	13.1
83.08620	7.9
83.64630	1.8
84.08938	2.5
85.06554	3.9
91.04907	1.8
91.05483	43.9
92.05815	19.3
93.07050	72.9
94.07372	33.0
95.04958	5.7
95.08614	30.7
96.08943	12.8
97.06503	3.8
97.10177	3.9
99.08093	6.1
105.07034	45.4
106.07366	21.0
107.08597	39.4
108.08929	22.9
109.06498	3.6
109.10159	12.2
110.10503	6.7
111.08095	2.0
117.07025	6.6
118.07361	5.1
119.08581	38.5
120.08911	24.6
121.10143	32.3
122.10480	21.4
123.08081	3.9
123.11703	3.7
129.06987	4.3
130.07350	2.6
131.08574	11.4
132.08910	14.7
133.10149	35.0
134.10472	26.4
135.08098	2.5
135.11707	28.8
136.12044	23.0
143.08618	6.0
144.08932	5.3
145.10190	11.5
146.10500	15.3
147.11676	29.6
148.12029	32.9
149.13266	17.1
150.10002	2.0
150.13585	14.1
157.10104	4.4
158.10464	8.3
159.11742	13.0
160.12044	13.3
161.13284	18.2
162.13608	20.9
163.14842	3.7
164.15225	5.1
169.10146	2.4
171.11678	7.5
172.12004	9.5
173.13255	3.4
174.13628	6.4
175.14874	6.9
176.11617	2.4
176.15179	13.3
178.13014	2.1
185.13284	5.6
186.13589	13.5
199.14973	2.5
200.15257	6.0
214.16756	4.0
218.19843	2.2
232.17815	3.7
232.21469	8.1
241.19586	4.9
242.19835	33.7
259.20514	15.5
260.20917	100.0
261.21371	2.7
277.21573	3.1
278.21899	11.4
334.24506	7.5
352.25659	79.9
353.25885	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	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
57.03441	8.3
61.02926	6.3
68.67697	3.6
69.03437	16.7
69.63414	12.6
69.63818	7.9
74.56560	3.8
85.02913	40.1
92.19016	4.4
97.02906	13.9
98.22714	6.1
98.97582	7.1
99.04436	4.8
127.03958	17.8
131.01958	3.9
140.46379	4.4
143.01898	11.7
145.03448	4.0
145.04958	9.2
155.01933	11.4
158.49861	3.5
161.02989	10.6
167.01999	3.9
173.02989	11.6
174.04559	8.2
183.05020	12.2
185.02995	10.2
191.03969	5.1
192.05560	6.1
197.03117	3.8
203.04007	9.6
208.99524	3.8
227.04065	4.9
232.99750	7.1
245.05077	25.3
263.06140	18.2
275.06107	6.5
353.08499	100.0
365.09204	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	353.0851
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
69.03429	3.3
70.06580	3.6
70.19183	4.6
70.19537	1.3
71.01360	2.2
72.08162	2.0
84.04492	1.9
84.08148	3.6
84.98851	1.3
85.02922	2.1
91.05456	8.1
97.02878	4.0
110.07153	1.6
111.04453	1.8
112.72444	1.3
119.04950	12.5
120.08109	4.2
123.04436	1.5
125.02335	3.5
126.78210	1.5
137.02328	1.8
146.06004	10.6
147.04413	59.1
165.05511	3.4
174.05452	2.9
179.03445	2.5
185.04179	8.4
187.52682	1.5
188.07053	5.7
190.02396	1.9
191.03192	5.6
192.06558	2.7
208.14703	1.5
228.81709	1.5
249.07333	1.5
249.76730	1.6
257.22275	1.6
353.08405	100.0
353.12177	37.1
353.17688	5.1
353.21579	1.9
354.08679	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	353.1019
Annotation	Negundin A
Peak:m/z	Relative Intensity
55.01865	2.9
67.05495	1.4
81.07064	1.3
87.33616	1.0
91.05478	2.1
94.32884	1.0
95.04966	2.3
104.15144	1.0
105.03434	1.3
106.13968	1.1
107.04979	1.1
115.05431	2.0
119.08601	1.0
121.02890	2.9
131.04932	1.8
133.02861	3.5
133.10110	1.1
136.24893	1.3
137.05962	2.2
145.06470	2.0
151.03896	4.8
152.06201	1.9
153.07007	3.1
155.08640	1.9
165.05687	2.0
165.07004	16.4
165.08292	1.8
166.07704	3.4
167.07047	1.3
167.08507	2.3
168.05716	2.3
173.05989	3.1
174.06805	1.4
176.06172	1.3
177.06964	2.0
178.07759	7.5
179.08578	2.2
181.06445	8.8
183.08018	2.4
189.07025	3.3
190.07780	1.5
191.06972	1.6
191.08540	2.0
193.06575	5.2
194.07249	20.2
195.07936	4.2
196.05247	1.5
199.07545	2.0
205.06403	7.7
206.07234	3.6
207.08055	6.0
208.08725	2.6
209.06009	5.0
209.09601	2.1
210.06764	2.1
211.05632	2.0
211.07529	18.2
215.08679	1.3
218.07277	2.1
219.07997	2.4
220.16771	1.1
221.05949	4.3
222.06726	11.5
222.66112	1.3
223.07445	5.3
224.08327	3.8
225.09090	3.8
226.09943	3.0
233.06018	2.0
234.06776	3.8
235.07538	5.7
236.08191	2.3
237.05487	2.0
237.09076	27.3
238.06300	1.6
239.07025	17.3
246.06604	1.3
247.07649	1.8
248.08490	1.2
249.05482	2.5
249.09148	2.4
250.06248	3.6
251.06990	2.8
252.07832	6.5
253.08531	7.5
254.09421	3.5
261.05490	1.1
261.09134	1.9
262.06357	2.4
263.07019	1.7
264.07849	2.9
265.08582	26.4
266.09314	4.3
267.06540	13.7
267.09467	1.7
268.07074	1.4
277.08551	2.1
279.06583	1.4
280.07285	5.7
281.08078	2.5
282.08871	14.7
289.08563	1.3
292.07111	2.6
293.04733	1.6
293.08069	31.3
294.08682	1.6
295.06076	6.9
295.09061	1.6
296.10312	2.4
297.11182	3.4
307.09543	3.7
308.06735	2.4
310.08383	11.4
321.07620	2.3
321.11053	2.4
323.09076	2.0
325.10703	23.7
326.11099	1.6
335.09167	4.5
338.07800	1.8
353.10178	100.0
353.13498	4.7
353.23007	3.1
353.28696	1.1
354.10593	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	353.1019
Annotation	Negundin A
Peak:m/z	Relative Intensity
55.01859	3.9
55.05494	1.3
57.03431	1.7
67.05495	4.1
69.07071	2.0
71.08621	2.2
71.23409	1.1
79.05476	2.6
81.07040	4.5
85.10178	2.2
91.05463	2.1
93.07066	1.1
95.04961	1.7
95.08604	3.1
96.49271	0.8
99.08119	1.7
105.07016	2.1
107.04932	1.8
107.08591	1.2
109.10173	0.9
113.09634	1.8
115.05478	1.7
119.08562	1.3
121.02858	2.6
121.10090	1.1
128.06219	1.4
131.04951	1.0
137.02328	1.0
137.05951	1.5
151.03897	4.6
152.06210	2.5
153.07028	1.7
155.08534	1.2
161.06041	1.3
165.06981	15.3
166.07722	4.1
167.07048	1.4
167.08530	1.5
168.05725	2.1
169.06499	1.2
173.05992	2.2
176.06235	2.0
177.06995	2.5
178.07736	6.7
179.08488	2.8
181.06448	6.7
182.07224	0.8
183.08055	3.8
189.06987	2.6
190.07764	2.6
191.06943	1.8
191.08543	2.4
193.06522	5.1
194.07236	20.1
195.08008	3.6
196.05159	2.0
197.05981	1.1
199.07632	1.5
202.07803	0.9
205.06454	7.0
206.07222	4.3
207.08031	4.0
208.08801	3.4
209.05962	3.8
210.06766	2.7
211.07532	19.0
218.07265	2.7
219.08073	2.2
221.05942	4.1
222.06784	9.9
223.07497	5.6
224.08221	4.5
225.09094	3.3
226.09827	2.5
233.05739	1.1
234.06767	4.4
235.07475	3.3
236.08325	2.9
237.05475	1.7
237.09076	27.5
238.09581	1.4
239.07037	14.5
247.07436	1.6
248.08258	1.4
249.05511	1.5
250.06223	5.2
251.07024	4.3
252.07858	5.0
253.08554	5.9
254.09225	3.4
261.09079	1.5
262.06238	2.3
263.06955	2.4
264.07797	2.5
265.05707	1.8
265.08582	28.4
266.09250	3.8
267.06430	13.0
277.08560	1.3
278.09561	1.7
279.06601	1.1
280.07281	4.6
281.08032	2.6
282.08841	11.1
287.82217	1.0
289.08441	1.8
292.07208	1.8
293.04788	1.4
293.08057	23.0
293.11087	0.9
294.08792	2.3
295.06143	6.3
295.09412	1.5
297.11237	4.4
307.09735	3.3
308.06653	1.4
309.07312	1.4
310.08347	11.7
321.07596	1.8
321.11111	3.8
324.09958	1.3
325.10678	22.8
326.11023	1.3
335.09131	3.1
338.07788	1.8
353.10165	100.0
353.13452	4.3
353.22809	16.4
353.26859	1.9
354.10550	7.6
367.94647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01865	1.2
55.05516	2.0
56.70527	0.3
57.03447	1.5
57.07082	2.3
60.04553	0.5
61.02917	0.4
67.05512	3.2
69.03436	5.8
69.07075	3.4
69.39092	1.7
70.06593	1.5
71.01362	0.7
71.04995	1.0
72.08155	0.8
73.02918	0.4
78.68087	0.4
79.05490	2.5
81.03416	1.8
81.07059	5.9
83.04993	2.1
83.08625	2.5
84.04506	0.5
84.08154	0.4
85.02900	3.4
85.06551	1.2
86.09702	0.6
87.04506	0.4
91.05492	2.9
93.07050	4.4
93.59300	0.3
95.04957	1.9
95.08611	5.4
97.02939	1.5
97.06544	1.3
98.22645	0.5
99.04449	0.9
101.02386	0.3
103.03946	0.5
105.07042	3.5
105.90294	0.4
107.04957	0.9
107.08598	7.4
107.09294	0.6
109.02904	0.7
109.06539	2.8
109.10163	3.6
110.07135	0.5
111.04455	1.1
111.08084	3.7
113.05978	0.8
113.09641	0.5
115.03944	0.9
115.05447	0.3
117.07050	1.0
119.04971	0.9
119.08572	3.6
120.08105	1.7
121.06520	0.9
121.08411	0.6
121.10144	8.8
123.08089	1.9
123.10889	0.6
123.11706	4.9
125.05961	0.9
125.09656	0.8
127.03944	1.8
127.07613	0.6
127.08662	0.4
128.03072	0.3
128.06250	0.4
129.07066	0.4
129.09180	0.6
131.08582	2.1
133.06531	0.5
133.10126	2.3
135.08080	1.5
135.11691	2.5
137.06004	1.1
137.09624	0.8
137.13245	0.6
139.07521	0.8
143.08586	0.6
144.13797	0.4
145.05011	0.8
145.06482	0.7
145.10143	1.4
146.06023	1.5
147.04460	1.6
147.07997	0.7
147.11728	1.4
149.09560	0.7
149.13260	7.1
150.27725	0.4
151.07564	0.9
153.09142	1.7
155.07036	0.5
157.08617	0.8
159.08025	0.3
159.11626	0.8
161.13251	0.9
163.07556	0.6
163.11205	0.5
163.14812	4.1
164.15210	0.5
165.09207	0.4
165.12785	0.5
166.08653	0.5
167.07121	0.6
167.14322	1.5
167.38733	0.4
168.06548	0.3
171.10205	1.1
171.11691	0.6
173.09645	0.4
173.13304	1.8
175.14838	0.8
177.12769	0.6
179.14317	0.5
181.08644	0.6
185.04233	2.0
185.13202	0.6
188.06984	0.6
189.09100	0.4
189.12724	0.5
191.06845	0.9
191.10724	1.1
191.14305	4.0
192.06514	0.5
197.13066	0.4
203.14441	0.4
209.13577	0.5
209.15353	3.1
219.13791	0.4
221.15512	0.6
249.15057	0.5
251.16379	0.4
257.15344	0.4
263.11121	0.3
275.16446	0.6
317.17703	0.5
335.18646	1.2
353.12088	100.0
353.19424	6.1
354.12421	7.3
354.16266	0.5
354.20386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35959	1.7
53.05136	2.0
55.05507	2.1
57.03432	5.3
57.07077	100.0
57.50703	2.5
67.05505	2.8
69.03434	3.8
70.06599	4.4
71.04997	5.0
73.02914	3.6
78.14651	2.1
81.03403	2.4
81.07037	2.2
82.42799	1.8
83.04981	4.5
85.02906	7.9
85.06543	34.7
86.09711	3.2
91.05489	4.9
95.01333	7.2
95.04953	3.5
95.08606	3.0
98.23363	4.9
103.07566	8.4
105.07045	2.4
107.04969	3.3
111.04425	2.4
113.02382	2.3
117.07074	2.6
123.04470	3.0
128.66306	2.0
129.05515	2.0
131.04996	2.4
133.02840	4.7
139.03964	2.7
141.01822	12.6
147.04373	3.4
159.10172	75.7
177.11212	21.9
179.03384	5.9
179.06984	2.8
189.64935	2.1
191.14462	2.3
218.05003	2.2
336.11978	2.1
353.09927	2.5
353.14413	4.4
354.13632	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	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83701	0.2
53.03944	0.5
59.90060	0.2
61.32865	0.2
65.03947	3.5
66.04720	0.3
67.05528	0.2
70.20577	0.7
77.03947	0.8
79.05495	2.0
80.19450	0.2
81.07056	0.4
91.05486	66.7
92.05833	1.5
95.04977	0.6
106.63149	0.2
107.00502	1.6
108.01277	5.0
129.98604	0.2
135.64371	0.2
138.99474	0.3
152.06230	0.4
154.07747	0.3
183.03598	11.7
184.04364	2.6
185.05164	5.4
185.06859	0.3
201.04732	0.5
202.05463	0.6
216.03423	0.3
219.05777	0.8
261.08295	10.5
262.09027	3.7
265.08102	0.3
266.08734	0.5
293.07272	2.2
294.08032	16.5
295.08478	1.1
353.14532	100.0
353.22836	8.2
354.14862	11.1
354.23312	0.4
375.82178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01868	13.3
55.05511	21.0
57.03434	11.7
57.07079	16.2
58.86175	1.6
59.04993	2.4
61.02917	4.0
65.03945	2.4
66.25689	1.5
66.45184	1.5
67.05503	39.2
68.88106	1.6
69.03431	79.0
69.07062	25.1
71.01352	5.7
71.04985	6.6
71.30730	2.9
73.02917	7.6
79.05492	29.3
79.27429	1.4
81.03423	16.3
81.07061	72.4
82.07406	2.6
83.04976	17.7
83.08626	14.1
85.02905	30.5
85.06546	15.5
87.04459	5.2
91.05483	30.5
91.32104	1.6
93.07044	46.9
94.07404	1.7
95.04969	22.5
95.08607	74.4
96.05301	1.4
97.02899	15.2
97.06525	15.9
97.10179	2.5
99.04458	13.0
100.11262	2.0
103.03926	4.9
103.05497	2.7
105.07034	36.6
107.04961	5.9
107.08596	63.0
108.08875	4.0
108.81169	1.6
109.02866	6.8
109.06520	36.2
109.10155	28.4
111.04472	8.4
111.08089	20.3
113.05992	2.0
113.09659	8.4
115.03954	7.4
115.05457	4.1
117.07016	8.6
119.04943	3.6
119.08583	36.5
121.06528	15.5
121.10141	70.9
122.10488	3.3
123.04418	4.2
123.08076	40.1
123.11709	100.0
124.12057	3.0
125.06005	9.2
125.09662	7.1
127.03921	10.8
127.07550	10.8
128.06190	3.3
129.05486	2.9
129.07010	2.1
131.08575	11.1
133.06502	5.7
133.10132	23.6
135.08044	20.5
135.11688	19.3
137.05986	5.9
137.09605	14.5
137.13248	5.3
139.07532	7.9
139.11179	2.4
141.09067	1.8
142.07805	2.2
143.08559	4.4
145.04962	9.1
145.06433	3.6
145.10123	17.7
147.08051	9.8
147.11694	21.3
149.05968	3.2
149.09651	11.5
149.13249	42.6
151.07567	8.8
151.11176	7.0
153.09087	9.0
155.08572	3.1
155.10609	3.2
157.10138	4.3
159.08064	4.2
159.11707	8.1
160.84534	2.0
161.06010	2.9
161.09625	9.9
161.13298	11.8
163.07556	7.1
163.11189	15.5
163.14827	16.2
165.09106	4.9
165.12784	5.1
167.07083	2.2
167.10699	3.8
171.10172	4.8
171.11674	5.1
173.09694	7.9
173.13271	7.2
174.10364	1.9
175.07661	2.2
175.11234	5.6
175.14833	5.2
177.09116	3.9
177.12781	6.3
179.10690	3.6
179.14336	6.0
181.08607	4.2
181.12212	4.0
185.08170	1.7
185.13205	2.7
187.11180	3.2
189.09094	5.1
189.12737	6.8
191.10680	12.0
191.14296	17.7
193.12227	4.3
193.15923	2.0
195.10114	2.4
197.11711	3.0
199.11256	2.2
201.12630	1.8
203.10817	2.2
203.14359	6.7
205.12259	2.3
207.10184	3.9
207.13809	4.7
209.11731	5.0
209.15207	4.1
211.09572	2.2
213.12723	3.2
215.14305	2.4
217.12320	2.3
219.13893	2.6
221.15388	5.5
231.13747	6.2
233.15546	2.5
237.14911	3.4
239.16400	2.4
249.14896	7.1
251.12817	3.6
257.15378	2.4
267.15912	6.5
275.16425	3.8
277.14258	3.0
289.08707	2.0
293.17441	3.0
309.17007	3.8
311.18546	3.8
317.17587	3.6
321.11136	1.7
335.18549	8.3
336.18881	2.1
353.15640	3.4
353.19598	88.2
354.19879	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98502	0.5
53.03943	1.8
54.39773	0.6
55.01865	2.8
55.05499	2.0
56.95957	0.7
57.03428	2.3
57.07071	1.4
61.02928	1.5
65.03947	1.5
67.05508	8.4
67.28089	0.6
69.03432	17.7
69.07074	15.8
70.10590	2.2
70.10943	1.1
71.01338	0.7
71.05003	3.7
71.39191	0.7
73.02892	1.6
75.89702	0.6
79.05492	5.7
81.03420	3.9
81.07055	10.2
83.01371	0.6
83.04998	4.0
83.08633	2.9
85.02910	15.3
85.06544	4.9
86.09729	1.0
87.04462	1.1
91.05476	6.9
93.07039	6.2
95.04981	3.3
95.08041	0.8
95.08614	10.2
97.02886	3.8
97.06526	1.7
99.04465	1.3
99.08086	0.9
103.05450	0.7
105.03396	0.6
105.07060	5.5
107.04982	1.7
107.08594	12.4
109.02894	1.9
109.06530	3.1
109.10168	2.6
111.00823	0.7
111.04485	1.1
111.08076	5.6
115.03907	0.8
115.05434	0.9
117.07008	1.3
119.04889	0.7
119.08587	5.9
121.06473	2.9
121.10148	9.0
123.04408	4.7
123.08080	4.7
123.11706	1.1
127.03921	4.7
129.07005	1.5
131.08568	8.7
133.02867	0.9
133.10130	7.7
135.08052	15.7
135.11699	2.9
137.05951	1.1
137.09621	1.9
137.13258	0.8
138.05498	7.4
143.08560	1.6
144.09348	0.8
145.05025	0.8
145.06430	0.9
145.10152	4.5
147.04427	0.9
147.11684	3.2
149.09624	7.0
149.13251	3.3
151.03909	0.7
151.07582	0.9
153.09200	0.8
155.14325	4.0
158.10899	3.1
163.11169	0.6
163.14839	4.2
165.05510	0.7
166.05017	5.9
168.59085	0.8
171.11650	0.6
173.13266	18.1
173.14960	1.0
173.15379	1.0
174.13614	1.4
175.14838	0.7
179.03448	0.8
191.14311	100.0
192.04048	0.6
192.14664	4.7
307.09329	0.7
353.19696	11.7
354.13925	1.2
354.19821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01875	8.7
55.05512	10.6
57.03432	8.0
57.07081	6.8
61.02933	2.4
65.03928	1.3
67.05509	16.0
69.03429	32.2
69.07073	14.3
69.49381	2.0
69.49787	4.9
70.06589	3.7
71.01352	2.6
71.04990	8.2
71.08620	1.1
72.08148	3.6
73.02901	3.9
77.03971	1.2
79.05498	14.6
81.03429	11.3
81.06579	2.3
81.07060	36.4
82.07379	2.0
83.04978	9.8
83.08620	13.7
85.02917	16.5
85.06545	4.6
86.09714	1.6
87.04453	2.9
89.35974	1.0
91.05482	15.3
93.03437	1.4
93.07051	24.9
95.04964	14.3
95.08605	23.8
97.02905	10.8
97.06534	11.0
98.06882	1.5
99.04454	4.9
99.05049	1.2
103.03942	2.5
103.05469	1.8
103.14190	1.1
105.07038	15.8
105.28285	1.2
107.04948	3.4
107.08598	41.0
108.08925	2.0
109.02927	2.5
109.06528	14.2
109.10152	17.4
111.04455	5.1
111.08075	17.2
113.05992	5.1
113.09634	1.4
115.03937	3.6
115.05438	2.8
115.07545	1.3
116.07103	1.5
117.07014	5.3
119.04933	1.8
119.08580	17.0
120.08092	4.0
121.06499	6.3
121.08433	3.3
121.10143	49.6
121.11018	2.5
122.10461	2.3
123.04430	3.2
123.08076	12.9
123.11706	25.8
125.06006	3.3
125.09647	5.5
127.03924	5.7
127.07568	2.2
128.03214	1.5
129.07019	2.5
129.09116	2.5
130.07797	1.3
131.07021	1.6
131.08563	11.0
133.06490	1.6
133.07545	1.5
133.10135	9.2
135.08049	10.7
135.11697	15.0
136.07553	2.8
136.11996	1.7
137.05997	4.3
137.09619	5.9
137.13269	2.1
139.07507	3.2
139.11166	1.8
143.08513	2.6
145.04979	1.7
145.06473	3.8
145.10117	7.1
146.06021	11.8
147.04381	9.0
147.08017	4.8
147.11714	6.5
149.05949	1.4
149.09657	4.9
149.13255	40.6
150.13591	1.4
151.07550	3.6
151.11188	2.6
153.09113	8.5
155.07060	4.1
155.08546	1.7
157.08589	3.6
157.10085	2.3
159.08025	2.2
159.11725	3.8
161.09607	4.1
161.13271	5.3
163.07573	2.2
163.11200	4.0
163.14842	21.9
165.09125	3.3
165.12744	3.1
166.08594	1.9
167.07024	2.4
167.10678	1.4
167.14310	6.4
171.10165	4.3
171.11617	2.1
173.09637	4.0
173.13284	9.0
174.05492	3.0
175.07556	1.6
175.11208	2.3
175.14853	4.3
177.12801	1.3
179.14310	4.5
181.08640	2.2
181.12239	1.5
185.04251	1.4
188.07088	3.8
189.08937	1.6
189.12733	3.7
191.10681	4.6
191.14346	18.7
192.06485	3.6
193.15802	1.8
195.10104	2.4
203.14336	2.9
207.10321	1.4
207.13828	2.8
209.15381	16.2
215.14345	2.0
219.13864	1.6
221.15463	1.6
231.13728	1.9
233.15346	4.4
245.15437	1.6
263.16617	1.4
275.16537	1.9
289.50256	1.1
299.16510	1.9
317.17490	3.1
335.18512	6.3
353.12091	100.0
353.19501	26.8
354.12561	7.2
354.19855	6.2
369.80884	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28804	4.6
53.03945	10.2
55.01875	11.2
55.05508	19.2
57.03440	10.9
57.07067	22.3
65.03945	4.8
66.48672	5.4
67.05506	66.7
69.03432	31.2
69.07069	31.3
71.05007	40.0
71.08613	6.6
75.74786	5.4
79.05500	17.6
81.03407	15.9
81.07058	100.0
83.04992	25.9
83.08621	9.6
85.02908	25.3
85.06536	51.0
91.05472	27.4
93.07041	18.7
95.04969	19.2
95.08607	82.9
97.06546	6.3
99.04472	5.2
99.08083	8.8
99.17050	7.3
105.07031	15.7
107.04959	15.6
107.08606	18.6
107.82610	4.9
109.02869	6.9
109.06525	8.9
109.10186	16.7
111.04439	20.7
111.08076	10.8
119.04964	10.4
119.08598	12.8
119.52647	5.0
120.08130	9.0
121.06461	5.5
121.10141	14.6
122.55875	5.2
123.04418	17.8
123.08044	10.6
124.07662	5.5
129.05481	7.3
131.08560	14.4
133.02856	13.0
133.10184	11.9
135.08084	11.9
137.13249	22.7
138.05495	37.3
139.03851	6.6
142.03633	4.8
145.10118	10.7
147.04430	9.2
149.09621	8.7
149.13217	10.7
151.03932	12.0
155.14311	74.9
159.10242	12.3
159.11615	6.1
161.02354	10.5
163.14781	7.2
164.07127	5.8
166.05009	18.9
168.87975	5.7
173.13258	15.8
173.15379	49.0
175.08736	6.8
175.14731	5.6
177.05473	7.5
179.03464	35.9
182.08118	5.7
185.91832	6.7
191.14340	47.0
191.16367	10.8
209.15350	11.0
223.26817	5.5
265.29077	5.5
307.13034	6.7
335.12158	6.6
335.18591	8.6
353.12943	15.7
353.19656	11.6
354.14801	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	353.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31986	0.3
65.03953	0.4
67.05499	0.6
69.07056	0.3
69.69858	0.7
69.70243	0.7
79.05514	0.5
81.07034	0.4
91.05486	9.2
93.07057	0.3
95.08601	0.6
105.06980	0.4
107.08596	0.4
108.01268	0.5
109.10220	0.4
114.23038	0.4
117.10484	0.3
123.11836	0.4
183.03595	1.3
184.04379	0.4
185.05226	0.7
236.18076	0.3
240.55370	0.3
244.45947	0.3
261.08322	1.8
280.02481	0.3
293.07385	0.5
294.08060	2.3
353.14572	13.6
353.22971	100.0
354.14774	2.1
354.23337	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15288	0.6
68.18482	0.6
70.56770	1.2
70.57109	0.7
87.32153	0.6
95.05225	0.7
95.11395	0.7
98.23249	0.8
111.29999	0.6
134.56569	0.6
136.81493	0.6
157.66762	0.6
169.99611	0.7
201.08011	0.7
353.22961	100.0
354.23355	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67159	0.4
68.21669	0.3
70.56760	0.6
70.57110	0.7
82.06623	0.4
96.33691	0.4
104.89817	0.4
120.75842	0.4
199.60580	0.5
208.46663	0.3
211.32664	0.4
235.12964	0.5
245.35730	0.4
297.40027	0.3
335.21878	1.2
353.22974	100.0
354.23337	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	353.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13445	1.8
55.05511	5.8
57.03418	3.6
57.07071	4.6
67.05497	8.5
68.36242	2.0
69.07068	16.6
69.90514	8.5
79.05490	7.1
81.07056	19.2
83.08609	7.0
91.05472	6.8
93.07032	16.3
95.04977	3.1
95.08604	25.9
98.22677	4.0
105.07031	31.8
107.08578	18.4
109.10159	12.6
109.99911	2.3
111.08109	2.5
111.11751	2.1
119.08580	24.2
121.10142	100.0
122.10460	2.5
123.08090	6.0
123.11725	10.9
129.07033	2.3
131.08554	13.8
133.10124	9.1
135.01384	2.3
135.08118	2.5
135.11693	10.5
137.13248	16.8
143.08499	3.0
145.10080	10.9
147.11688	52.2
149.09618	2.8
149.13261	4.9
157.10138	3.7
159.11684	13.5
161.13266	6.9
163.14790	4.1
165.12752	85.6
166.13068	3.5
171.11693	2.8
173.13258	15.0
175.14784	2.9
179.14326	3.7
187.14864	7.3
191.14412	2.6
197.13443	3.0
203.17955	4.1
205.12254	3.7
207.13766	3.3
207.60468	2.1
217.19463	2.5
219.13829	7.4
229.19540	17.6
247.20616	7.2
249.18417	3.4
257.18933	5.1
275.20035	33.0
276.20306	2.7
293.21225	3.8
307.22614	3.9
335.22235	10.3
353.24564	3.9
353.28391	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	353.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
57.03442	4.0
57.07071	4.7
58.18564	2.3
62.12430	2.4
67.05500	7.9
68.55885	2.4
69.07073	18.1
69.30431	4.4
69.30840	12.4
71.08622	2.9
79.05489	7.0
81.07063	18.9
82.25057	2.4
83.08649	4.5
91.05484	7.4
93.07036	12.2
95.08610	30.3
98.23375	4.6
105.07037	31.0
107.08609	15.8
109.06582	3.6
109.10146	18.2
111.08064	3.3
117.07040	2.5
119.08562	24.5
121.10154	100.0
123.08063	4.8
123.11700	12.3
126.89517	2.5
131.08585	11.5
133.10144	10.5
135.11690	5.5
137.13277	12.8
143.08546	3.3
145.10144	9.6
147.11691	46.5
148.12032	2.8
149.13266	3.8
159.11687	10.9
161.13275	8.7
165.12750	73.5
166.13081	3.0
171.11797	2.3
173.13228	12.4
175.14853	6.1
177.12659	2.4
187.14877	5.3
197.13214	2.9
201.06604	2.5
203.17915	5.9
216.34299	2.8
219.13840	6.6
229.19475	14.3
233.15375	3.0
238.42082	2.3
247.20567	11.0
247.94003	2.7
257.19064	6.3
274.46860	3.8
275.20032	32.8
293.21097	4.6
335.22189	10.3
353.24652	5.8
353.28445	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	353.2324
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
55.05520	22.5
57.03445	9.5
57.07086	9.2
67.05508	79.1
67.29971	7.4
69.07074	26.2
70.67831	17.3
77.76875	7.5
78.65813	7.1
79.05495	39.2
80.61473	8.2
81.07054	100.0
83.08620	22.6
85.71220	6.7
86.63973	8.4
91.05492	31.1
93.07059	63.3
95.08612	79.4
97.06527	8.8
105.07046	38.7
107.07936	8.1
107.08587	40.4
108.23280	7.8
109.10153	42.3
117.06995	8.5
119.08591	32.0
121.10154	35.7
123.11690	20.3
131.08611	22.5
133.10141	24.7
135.11699	24.7
138.92003	8.2
145.10149	25.9
147.11710	26.0
149.13264	11.9
159.11678	20.2
173.13310	12.3
187.14833	17.7
243.20963	9.7
261.22141	73.3
271.00565	7.8
275.20007	9.0
325.47510	8.1
356.99008	9.1
366.44952	12.3
376.50790	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03937	3.5
55.01867	2.5
55.05513	18.6
57.03431	6.3
57.07085	8.3
59.79132	1.7
65.03943	2.0
65.82339	1.6
67.05506	97.1
68.05829	1.5
69.07072	16.5
69.61256	6.1
69.61605	2.8
70.06593	2.7
71.04986	2.0
71.08634	5.2
75.04470	1.8
75.17117	1.7
79.05074	1.9
79.05495	54.5
80.94847	2.2
81.07058	100.0
82.07366	2.9
83.05000	4.0
83.08626	9.6
85.06548	3.3
85.10171	2.1
88.07632	4.6
91.05486	26.8
93.07045	72.9
95.04984	3.8
95.08609	74.2
96.08929	1.8
97.06522	5.5
97.10180	5.1
99.08099	6.7
105.07029	19.7
106.08688	1.7
107.08591	43.1
109.06506	3.9
109.10167	33.1
110.10558	2.2
111.08073	2.6
113.09616	3.9
116.76688	1.4
117.07013	10.7
119.08572	13.8
121.10144	36.8
122.10447	2.0
123.08089	1.8
123.11703	17.5
125.09622	3.5
131.08560	24.5
133.10118	11.9
135.11693	34.2
137.09624	2.0
137.13281	7.9
138.67039	1.6
145.10114	19.7
147.11681	12.5
149.09666	1.9
149.13271	24.7
151.14857	4.5
153.12779	3.7
155.29485	1.6
157.31693	1.8
159.11649	15.1
160.14430	1.5
161.13263	11.7
163.14822	18.5
173.13252	16.7
175.14819	4.6
177.12782	2.1
177.16394	5.4
177.61279	1.5
179.14374	1.8
187.14822	16.1
191.14374	2.6
201.16376	3.8
233.18906	2.2
233.22630	7.3
243.21103	27.2
245.24922	1.6
261.22150	86.0
262.22491	5.8
279.23102	4.5
297.61685	1.7
302.79181	1.5
335.25824	8.1
353.16309	2.7
353.26697	8.4
354.33725	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.06791	1.0
51.02393	1.0
53.03941	1.8
53.76860	0.9
55.05510	14.2
57.03443	6.4
57.07084	4.9
58.73240	0.9
65.03938	3.5
67.05509	100.0
68.05830	1.8
69.03445	1.1
69.07076	15.0
71.04994	2.3
71.08651	1.9
73.43491	0.9
75.04489	1.4
79.05497	45.7
81.07061	99.9
82.07400	1.8
83.08618	7.4
85.06535	1.5
91.05482	22.1
91.22944	0.8
93.07051	54.8
94.07366	1.4
95.04961	2.1
95.08609	68.6
96.08918	1.6
97.06526	3.7
97.10162	3.1
98.23380	2.1
99.08125	1.4
105.04544	1.5
105.07041	16.7
107.08598	36.3
109.06522	1.0
109.10160	36.6
109.10915	1.9
111.08075	1.6
111.37588	1.0
113.09709	1.2
117.07008	10.2
119.08582	15.2
121.10145	28.8
123.11707	22.0
124.11970	1.1
125.09665	1.3
131.08574	18.4
133.10139	11.4
135.11702	22.7
136.12051	1.1
137.09679	1.4
137.13264	7.2
138.13594	1.2
145.10114	13.8
146.10542	1.1
147.11699	9.7
149.13251	17.2
151.11284	1.1
151.14827	1.9
153.12830	1.3
159.11703	13.2
161.13242	8.8
163.14809	10.2
165.12733	1.4
173.13280	13.4
174.13570	1.0
175.14786	1.4
177.12756	1.3
177.16393	4.3
187.14786	8.6
201.16396	2.3
205.15941	1.2
233.22658	3.0
243.21071	16.9
244.21368	2.4
261.22153	80.1
262.22513	7.1
279.23160	5.4
317.24707	2.1
335.25800	8.8
353.26871	18.3
354.27356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43249	1.4
50.71313	1.5
53.03943	3.9
55.05511	15.0
57.03437	3.5
57.07072	6.2
65.03940	2.7
67.05508	96.4
69.07069	13.0
70.44469	2.5
71.08643	1.9
73.66461	1.5
75.04438	1.6
79.05496	46.9
81.07059	98.7
82.07399	2.8
83.05005	1.7
83.08619	4.2
91.05478	25.4
93.07051	61.7
93.57652	1.3
95.04972	3.8
95.08611	66.3
97.06535	3.1
97.10154	3.7
105.07027	18.2
107.07867	2.1
107.08592	39.7
109.10157	35.6
110.10497	1.4
113.09654	2.0
117.07024	11.2
119.08574	15.4
121.10156	33.2
122.10497	1.7
123.07979	1.7
123.11713	17.4
131.08578	21.8
133.10147	13.7
135.11703	28.1
136.11963	1.6
137.09644	1.6
137.13278	8.3
139.72034	1.6
145.10121	15.6
147.11682	10.3
149.09702	1.5
149.13261	21.0
151.14772	1.9
152.29066	1.6
159.11700	15.1
161.13228	10.1
162.13513	1.5
163.14812	11.7
173.13251	15.2
175.14749	1.6
177.16370	3.4
179.14288	1.7
187.14810	9.9
191.14333	2.4
201.16370	3.4
212.78789	1.3
215.17831	1.6
220.17522	1.7
226.98837	1.6
233.22647	3.9
243.21120	22.7
244.21399	1.5
261.22141	100.0
262.22464	6.3
279.23099	3.7
335.25729	5.7
353.26904	21.5
354.27261	2.5
357.70059	1.9
371.99579	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.55781	1.5
53.03954	2.3
55.05511	17.6
57.03438	6.3
57.07077	4.8
65.03950	3.0
67.05507	99.1
69.07075	12.1
69.89199	6.7
70.62354	1.4
71.08640	1.8
75.04482	2.3
75.95402	1.4
79.05496	43.1
81.07059	100.0
82.07371	2.2
83.08619	5.0
85.06532	2.2
91.05482	22.5
93.06466	3.3
93.07047	55.9
94.07359	1.7
95.08607	68.6
96.08925	2.8
97.06545	3.9
97.10174	3.2
98.23252	2.4
99.08068	4.3
105.07034	15.0
107.08594	36.4
109.09442	2.9
109.10162	40.4
111.08089	2.5
113.09649	1.7
117.07024	10.2
119.08575	12.1
121.10144	33.5
123.11701	19.7
131.08583	20.6
133.10118	9.7
135.11702	26.7
137.09647	1.8
137.13269	7.5
145.10120	15.6
147.11702	9.1
149.13266	17.7
151.14865	1.8
159.11691	13.9
161.13248	6.9
163.14833	12.3
165.12755	2.6
173.13258	17.8
175.14873	3.3
177.16432	3.5
182.58081	1.5
187.14850	6.9
191.14337	1.7
201.16368	1.7
215.17960	1.7
233.22523	2.5
243.21101	20.7
260.06979	1.6
261.22147	90.4
262.22461	5.9
268.21451	1.5
279.23093	4.9
335.25717	10.9
352.44067	1.8
353.26926	22.0
354.27386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47023	1.4
53.03941	3.2
55.01847	1.7
55.05514	15.3
57.03434	6.3
57.07067	4.7
57.97006	1.7
65.03938	2.9
67.05507	92.9
67.82844	1.3
68.05843	2.2
69.07068	17.1
69.14254	10.7
71.04985	3.0
71.08280	1.3
71.08632	5.1
79.05495	53.7
81.07059	100.0
82.07367	1.8
83.05012	1.8
83.08607	6.4
85.06561	3.0
91.05477	24.1
93.07047	69.9
94.07365	3.2
95.04974	2.1
95.08608	67.4
96.08902	1.5
97.06539	4.6
97.10181	4.0
99.08122	5.0
105.07038	19.7
107.08596	41.1
109.06506	1.8
109.09444	2.7
109.10159	38.3
111.08091	1.6
117.07036	11.6
118.94212	1.3
119.08580	14.9
121.10149	40.9
122.10450	1.6
123.11709	16.3
129.15378	1.4
131.08577	22.0
133.10126	13.8
135.11700	29.6
137.09666	1.6
137.13263	7.3
145.10121	17.1
147.11688	9.2
149.13245	19.5
151.11151	1.7
151.14757	2.3
153.12656	1.5
159.11707	16.8
161.13287	8.0
163.14830	14.2
164.15280	1.5
165.12721	3.4
173.13264	13.9
175.14777	2.8
177.16420	4.4
187.14862	7.7
188.34978	1.5
191.14391	2.0
201.16275	1.8
205.15916	1.9
215.17926	1.7
231.90366	1.4
233.22675	4.0
243.21074	17.1
261.22144	88.4
262.22461	5.9
279.23312	2.9
291.23172	5.6
335.25735	5.1
353.26822	27.6
354.27081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	5.5
55.01873	14.5
55.05513	56.2
57.03440	16.8
57.07077	10.8
65.03947	2.6
67.05507	95.6
69.03434	3.1
69.07074	61.5
70.67434	2.7
71.04998	7.1
71.08644	15.9
71.30901	3.3
71.31319	3.2
73.09952	2.6
79.05499	50.1
81.07060	100.0
83.04994	10.7
83.08633	31.1
85.06580	9.5
91.05486	44.8
93.07043	62.0
95.04966	2.7
95.08618	73.3
97.06530	13.7
97.10178	25.5
99.08115	16.3
102.85753	2.6
105.07056	12.4
107.08609	45.6
109.06483	3.6
109.10155	47.0
111.08077	3.5
113.09676	3.4
117.07035	7.4
119.08582	12.3
121.10162	28.1
123.11740	12.1
125.09635	11.3
131.08577	15.1
133.10114	10.3
135.11700	26.8
137.13242	8.6
145.10181	7.3
147.11696	9.1
149.13225	13.2
151.14784	4.9
153.12712	21.4
159.11742	8.0
161.13295	8.6
163.14807	15.6
165.12839	6.2
173.11830	6.6
173.13287	12.1
177.12701	3.7
177.16394	5.4
181.15964	3.3
187.14934	3.8
189.11217	5.6
193.04895	3.0
203.57339	2.8
223.17113	3.6
233.22792	5.4
238.24376	2.8
243.21169	17.1
261.22150	44.2
279.23251	26.1
353.26794	60.9
353.79337	4.4
354.27112	5.6
354.33734	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	354.1185
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03933	0.6
53.79784	0.3
55.01879	0.6
57.03443	0.5
57.36379	0.3
58.06573	0.6
61.02930	0.7
66.99422	0.3
67.05490	0.9
68.59515	0.3
69.02164	2.6
69.03429	2.1
69.07058	0.4
69.47984	0.3
71.04989	0.6
73.02914	0.6
79.05484	0.4
81.03407	1.2
85.02907	4.0
87.04456	0.7
89.03930	0.3
91.05485	2.7
94.06026	0.3
94.06574	3.6
95.04959	0.8
97.02910	2.0
105.03393	1.1
107.04960	0.5
109.02859	0.3
110.07169	0.5
115.07594	0.7
117.03367	0.5
117.05766	0.9
118.06543	6.3
119.04957	0.3
120.44872	0.3
122.03637	0.9
122.06042	5.0
127.03899	0.8
130.06583	0.5
133.02849	7.2
133.03783	0.6
134.06000	1.0
135.04401	1.0
136.07610	0.5
137.05978	2.1
142.59012	0.3
145.05054	0.5
146.06012	19.2
147.04527	0.3
147.06459	1.0
148.07585	0.5
150.03123	0.8
150.05525	1.5
157.08580	0.6
162.05495	1.2
163.03905	4.3
164.07074	7.7
165.05426	0.9
169.44731	0.3
174.05510	100.0
175.05853	4.8
175.09682	0.4
175.11108	0.3
176.07014	1.1
178.02628	4.6
188.07088	2.4
192.06557	54.7
192.14636	0.7
193.04984	51.4
212.07191	0.5
231.16431	0.4
234.07610	0.8
243.16490	0.3
258.07492	0.4
336.10785	1.2
354.11838	38.6
355.13101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69195	8.5
55.01868	12.9
56.16390	8.0
57.24619	8.7
58.99586	24.8
62.63999	9.4
67.05507	19.3
69.03424	25.6
69.50359	48.1
71.04990	100.0
77.03929	15.1
79.05495	26.5
79.74767	8.7
81.03410	21.9
81.07055	29.0
83.06091	54.3
85.02899	37.2
85.06532	12.9
85.96268	10.1
86.03212	13.0
86.09696	11.9
87.00842	16.0
88.03999	77.2
91.05485	37.4
93.07046	10.3
97.01143	14.5
97.02899	22.4
97.06582	11.6
98.22645	14.1
102.75986	11.1
103.05465	12.1
105.01866	16.7
105.07041	23.9
106.02208	10.4
109.02921	11.6
113.07121	15.2
115.05451	33.7
117.06963	14.2
119.04948	17.7
120.08091	9.2
127.03870	19.7
127.05395	11.9
128.06226	41.9
129.06982	29.1
130.06488	11.6
133.06584	9.5
134.01920	12.3
135.02638	22.7
137.05991	15.5
138.03757	9.3
141.06982	34.9
142.07813	15.8
145.06401	10.6
145.10110	9.7
147.02596	19.6
147.08003	11.2
150.09059	10.2
153.05557	8.4
153.06999	27.9
154.06584	10.7
154.07767	13.9
159.02806	15.7
160.03403	14.3
161.05951	15.2
162.03712	20.3
165.07016	19.6
167.07198	23.9
167.08508	14.7
169.06500	16.6
175.07477	23.0
184.03392	12.5
185.04259	14.3
187.02068	10.7
188.05177	11.3
189.03670	12.5
196.14467	41.9
197.09486	9.2
201.05484	17.3
208.04305	24.9
210.14900	11.4
214.12212	8.8
224.13811	13.5
231.08463	23.1
233.05667	10.4
248.07463	22.7
249.09306	18.1
292.80194	10.0
305.08243	10.7
318.11603	43.3
323.09146	12.5
354.19879	32.0
355.23465	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01871	8.0
55.05490	1.6
57.03425	5.1
61.02923	6.2
61.76135	1.2
68.26762	1.2
68.99789	2.6
69.03430	41.7
69.07075	2.0
71.04989	7.9
73.02912	5.7
78.28558	1.1
79.65017	1.2
81.03414	22.3
81.07057	2.9
85.02905	100.0
86.03251	1.8
87.00829	49.1
91.03938	2.0
91.05479	1.8
93.07058	3.0
94.07298	1.1
95.04926	1.7
97.02888	32.7
97.06621	1.5
99.04453	13.4
105.01868	71.3
106.02161	1.5
107.08589	2.4
108.04451	1.4
109.02876	29.6
115.03951	1.4
117.01865	3.0
119.08567	2.9
121.06477	1.2
127.03912	71.1
128.04318	1.9
129.01860	3.4
135.08099	1.5
145.03854	2.6
145.04961	35.1
145.06111	1.9
147.02823	1.9
147.11690	1.5
148.12022	1.9
159.02901	12.9
175.07550	1.4
189.03979	3.4
191.14348	2.3
192.14696	2.8
201.05479	1.5
213.03996	3.7
231.04953	18.7
248.07564	1.5
249.06114	4.7
285.91467	1.1
355.12045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01875	7.2
57.03437	6.0
59.77296	1.4
61.02934	7.0
68.99789	3.6
69.03432	36.8
71.04993	6.2
71.08639	1.4
71.31660	1.8
73.02917	4.7
79.05488	1.7
81.03422	23.6
85.02908	100.0
85.70103	1.1
86.03226	2.3
87.00834	52.0
88.01134	1.3
91.03941	1.7
91.05477	3.5
93.07075	1.8
95.04955	1.5
95.86678	1.1
97.02896	32.7
99.04469	11.8
105.01870	81.2
105.07043	3.0
107.04992	1.7
108.04478	1.3
109.02882	28.2
109.03581	2.5
117.01897	2.2
117.07008	1.4
117.73689	1.2
119.04967	2.1
122.03677	1.5
126.55783	1.1
127.03924	71.6
129.01825	3.5
131.04912	1.8
137.05986	5.5
145.04964	32.3
147.02902	2.1
147.04411	2.1
159.02887	11.1
162.04054	1.2
167.07054	2.9
168.07381	2.1
189.03929	5.4
189.06993	1.5
191.06963	2.5
192.07407	2.0
201.05534	7.6
213.03949	3.2
221.05978	1.4
231.04955	19.2
234.06721	1.8
234.09827	1.3
248.07707	1.7
249.05992	6.4
249.09042	2.0
250.06438	1.6
251.07121	1.4
262.09500	1.6
263.07178	1.4
264.07819	1.4
277.08661	2.1
290.05975	2.5
290.09082	2.0
301.54318	1.3
305.08109	1.7
307.09705	1.7
322.11478	3.0
323.09134	2.6
325.10690	1.9
337.10477	2.3
354.14117	8.9
355.11841	5.3
355.17322	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	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.8
56.31901	4.4
56.96565	9.7
58.91813	5.7
61.02932	18.1
62.06111	4.9
69.03440	11.5
69.07059	15.9
70.06612	10.8
71.30359	6.9
73.04801	5.0
73.63648	5.4
79.05503	37.5
82.48125	4.9
84.08155	6.2
85.02911	18.9
86.09734	6.9
87.04478	9.2
93.07056	29.1
97.02893	11.3
97.06533	27.4
98.97586	21.6
107.04996	5.9
110.07195	7.5
110.97606	7.3
111.08102	29.6
116.98610	7.1
120.08108	6.0
121.06504	15.0
127.03875	11.9
129.09152	28.3
131.04895	11.8
133.06497	6.1
135.04419	15.4
137.44789	5.5
139.07539	100.0
142.64452	6.4
145.02831	8.3
145.06438	7.9
146.06027	19.8
147.10156	34.3
157.08603	56.5
163.03899	77.2
166.35472	5.1
174.05504	7.5
174.09126	7.0
175.09677	35.2
188.07190	7.3
192.06560	12.5
192.10217	33.8
193.05133	12.5
231.16365	6.9
232.84782	5.9
237.02917	10.0
251.77908	6.2
280.62442	6.2
285.00986	6.7
354.11618	17.7
354.15622	8.9
355.10028	8.8
355.14117	7.3
356.19653	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	354.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31313	0.7
67.08930	0.8
69.61611	4.4
81.07059	0.9
81.69210	0.8
91.05460	4.9
92.05825	1.3
105.07003	0.9
112.22897	0.8
183.03683	1.0
354.15176	7.7
354.23312	100.0
355.11624	2.1
355.15317	2.2
355.23654	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	354.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83672	0.8
55.05521	1.0
55.36115	0.8
67.05515	2.4
69.07079	1.4
71.04943	0.9
71.46442	0.8
76.29270	0.9
79.05492	1.9
81.07047	1.9
82.07368	0.8
91.05488	1.2
93.05544	0.8
93.07064	1.0
95.08625	1.6
98.22614	2.8
105.07022	1.3
107.08605	1.0
131.54037	0.7
166.67485	0.8
190.49699	0.9
235.43138	0.9
294.24344	1.0
304.86078	0.8
354.23322	100.0
355.23514	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	354.3367
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05511	11.0
57.07089	16.4
58.06602	15.2
58.60109	3.9
59.28266	3.3
64.29924	3.1
65.24181	3.5
65.65659	3.8
67.05501	11.4
69.07081	18.6
70.06586	9.4
71.08641	8.2
71.33163	3.7
73.04742	3.7
74.06078	3.3
81.07063	14.8
83.08619	12.7
84.08172	4.8
91.05814	6.9
94.09980	2.8
95.08617	15.3
97.10168	7.7
107.63781	3.3
109.10165	7.5
110.65150	3.1
111.11717	4.9
123.11708	4.2
141.27979	3.3
163.47415	3.5
195.15239	3.3
294.31705	4.2
308.33191	4.2
326.34167	4.9
336.32550	16.4
354.29251	5.9
354.33673	100.0
354.37863	7.8
355.33963	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	354.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.5
57.07080	1.1
59.26762	0.7
64.41523	0.7
65.13509	0.6
67.05179	1.0
67.05508	13.5
68.05818	0.8
69.07071	6.7
70.06595	15.1
71.01563	1.4
74.01509	0.8
74.06063	1.0
79.05482	2.9
80.94869	1.2
81.07057	11.2
82.07410	0.8
83.08598	2.2
88.07633	20.2
91.05463	1.2
93.07042	3.0
95.08614	6.6
97.10162	0.8
102.09176	4.3
105.07085	0.7
106.08664	8.2
107.08591	1.2
109.10140	1.5
121.10025	0.6
122.10493	0.7
129.54741	0.6
146.10466	0.7
156.12270	0.8
190.31343	0.7
200.41190	0.8
244.21660	0.8
262.22430	1.2
304.36829	0.7
327.69208	0.6
336.32596	3.6
354.16681	3.7
354.33670	100.0
355.33923	11.2
361.80078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
53.03942	0.8
54.45892	0.5
55.05515	6.7
56.34388	0.4
57.03432	0.4
57.07083	0.8
58.06592	0.9
62.06098	0.5
65.03963	0.7
67.05507	13.0
68.05824	0.8
69.03708	3.5
69.07073	7.0
70.06597	14.8
70.07373	0.6
71.08665	0.4
74.06095	0.8
79.05502	4.3
80.05828	1.0
81.07062	12.4
82.07391	1.5
83.08625	2.1
88.07635	18.3
91.05478	1.6
92.05804	0.7
93.07050	3.8
93.09431	0.4
94.07375	1.2
95.08608	6.9
96.08967	0.9
97.10175	0.9
98.23379	1.0
100.61296	0.5
102.09180	4.6
105.07021	1.7
106.07449	0.6
106.08678	7.6
107.08585	1.6
108.08901	0.9
109.10168	2.8
110.10463	0.7
110.95908	0.4
113.09641	0.4
118.08700	0.4
119.08597	1.5
120.08891	0.5
121.10129	1.0
122.10459	0.7
123.11707	0.9
124.12067	0.5
131.08543	1.0
133.10121	1.0
135.11662	1.3
136.12032	0.6
143.08614	0.7
145.10161	0.9
147.11644	0.6
149.13225	0.9
159.11641	0.6
163.14909	0.5
164.15202	0.7
173.13339	0.5
204.44130	0.5
243.21170	0.6
244.21423	1.2
262.22498	2.4
289.82263	0.4
310.31104	0.7
323.09048	1.3
324.09818	0.5
336.26370	0.6
336.32568	4.8
354.33673	100.0
355.11697	1.0
355.22537	1.0
355.26566	1.3
355.33945	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	355.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17909	3.8
55.01865	5.2
55.05508	6.4
56.96566	20.3
69.03420	4.6
69.07062	5.7
69.25507	15.7
69.25915	9.7
70.06580	7.6
73.04755	14.5
79.05513	5.1
81.03441	5.0
84.08138	14.2
84.96045	5.6
85.02924	9.5
86.09734	3.9
89.03906	8.8
89.06026	4.7
91.05816	28.8
97.02884	10.2
98.97578	28.7
105.01865	3.4
107.04946	5.2
108.87236	4.1
110.07167	7.0
110.97601	7.4
112.08447	4.1
113.06007	4.4
116.98608	9.2
117.03372	9.9
120.99544	4.5
127.03826	4.2
128.98650	9.9
134.99667	8.3
135.04445	23.6
136.07555	8.6
145.02861	15.0
146.99644	5.9
150.05392	8.1
157.08585	4.9
163.02518	5.1
163.03912	100.0
164.04298	7.5
164.07112	15.2
178.02618	3.9
178.24544	3.8
182.08173	15.5
192.03937	5.4
193.05165	36.5
219.01759	10.0
229.00183	6.3
237.02844	16.1
285.00949	13.4
355.03568	7.3
355.10406	33.8
355.13809	10.5
356.13135	17.6
358.62469	4.0
365.87500	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	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.69445	0.8
58.94603	0.8
64.88051	0.8
69.22133	2.7
69.22557	3.7
70.07758	0.7
89.03913	6.2
98.22596	1.6
107.04977	2.5
117.03378	9.3
133.02831	3.9
135.04413	16.6
137.05984	1.4
145.02834	12.6
163.03899	100.0
164.04253	3.8
178.02658	3.3
181.05005	1.0
193.04967	19.7
194.05298	1.3
303.30728	0.8
352.71826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
69.03429	0.3
70.94828	0.3
77.03943	0.4
81.03433	0.2
81.36485	0.1
83.04968	0.2
85.02913	0.4
89.03923	0.5
91.05472	0.2
97.02891	0.4
105.03395	1.4
107.67781	0.1
117.03365	0.4
122.03646	1.2
133.02852	18.5
134.03218	0.6
135.04388	0.5
137.05980	4.3
137.07036	0.2
145.02802	0.4
147.63824	0.2
149.05988	0.7
150.03101	1.0
163.03909	2.9
164.01195	0.1
165.05475	2.1
173.84215	0.1
174.05504	0.4
175.05814	0.5
178.02614	10.6
179.02950	0.3
185.55222	0.2
193.04967	100.0
194.05299	3.8
194.06892	0.1
258.29855	0.2
355.09906	1.3
355.14072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Ambonone
Peak:m/z	Relative Intensity
54.22394	0.7
55.01880	3.9
59.26790	0.7
61.67026	0.7
65.03928	1.4
67.05495	1.0
71.04980	0.7
77.03930	1.2
79.05492	10.1
81.07053	1.5
89.03908	2.4
91.05481	8.6
92.55059	0.6
93.07044	1.8
95.04989	1.8
95.08613	0.9
99.06044	0.7
102.04669	1.7
103.05469	11.5
104.06274	0.9
105.03429	1.0
105.07032	37.5
106.07392	1.1
107.04970	3.1
109.06529	0.8
109.10147	0.7
115.05450	14.1
116.06213	2.3
117.03377	2.6
117.07010	5.2
117.07730	0.6
118.04163	5.7
119.04938	11.2
119.08652	0.9
120.02081	1.1
121.06486	3.4
123.04429	2.0
123.08039	0.9
124.05176	0.8
125.05936	1.0
127.05431	0.9
128.06261	0.8
131.04916	10.4
132.05728	1.1
132.07588	0.7
133.02837	5.3
133.06490	25.8
134.07297	2.2
135.04430	4.5
135.08060	0.9
135.11650	1.2
137.05983	5.6
143.04901	2.1
143.05986	1.1
145.02821	1.6
145.06476	16.2
145.07608	1.0
146.03583	3.4
146.06813	1.3
147.04427	10.6
147.08046	1.8
149.05942	1.4
151.03963	1.1
151.07544	6.9
153.05518	0.8
155.04906	4.2
155.06055	2.6
159.04454	1.9
161.02318	1.1
161.05986	9.3
162.06686	1.4
163.03899	13.0
163.07558	3.4
165.05479	3.7
165.06911	1.4
165.09109	2.3
166.02626	1.3
167.07036	18.0
169.10173	0.9
173.05981	15.9
175.07564	1.2
177.05490	3.9
177.09058	0.8
178.06256	7.8
178.07790	2.1
179.07079	11.2
179.08531	1.4
181.04987	12.1
181.06445	1.1
183.04401	3.4
184.05106	1.2
187.03911	16.9
188.04652	5.3
189.05595	4.2
189.07018	1.3
192.07928	1.2
193.04955	1.2
193.06789	1.4
193.08606	32.2
194.09389	100.0
195.08130	1.2
195.09760	5.3
201.05463	37.7
202.05858	2.0
205.06508	2.6
206.07285	3.3
207.06406	1.3
207.08081	3.5
209.06038	1.6
210.08916	1.8
221.05891	2.8
223.07573	1.0
224.08318	1.8
225.09164	1.2
233.06024	1.4
234.06825	4.5
235.07452	3.9
236.08269	1.3
237.05479	1.0
238.06178	1.7
239.10675	1.0
247.07661	0.8
249.05492	1.6
249.09210	2.2
251.06976	2.7
252.07852	2.4
253.08557	1.0
262.06320	2.0
263.07004	3.0
267.10199	2.4
269.08157	1.4
276.07834	2.0
277.08530	3.2
278.08679	1.0
279.06546	2.6
280.07321	9.3
281.07993	3.4
293.08096	1.3
294.08847	2.0
295.09625	7.6
304.07495	0.9
305.08151	2.7
308.06702	1.1
311.09192	1.1
312.09851	2.3
320.62415	0.9
323.09167	4.9
324.09402	1.4
325.10828	1.2
327.12177	2.1
337.10617	4.0
355.11731	34.0
355.25760	1.7
356.12125	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	355.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95213	1.6
57.92477	1.3
67.05499	3.3
68.65752	1.1
69.07070	2.5
81.07063	4.9
83.08608	1.3
90.55464	1.2
91.05453	1.2
93.07023	1.9
95.08624	4.4
97.10211	1.3
105.07014	3.2
107.08591	5.3
109.06537	1.4
119.08608	2.3
121.10169	1.4
125.37460	1.2
131.08522	1.1
133.10104	2.0
135.11824	1.1
139.48434	1.1
145.10141	2.1
159.14093	1.3
171.11732	1.6
185.73958	1.3
202.79436	1.3
228.69667	1.4
239.23886	1.2
276.32928	1.2
335.47653	1.3
355.15158	100.0
355.22549	3.9
355.26520	3.0
356.15512	6.9
375.63623	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	6'-Hydroxygaruganin V
Peak:m/z	Relative Intensity
50.69058	0.7
59.05003	0.7
69.07075	0.9
69.19611	5.0
71.04993	0.7
75.44209	0.7
76.65063	0.6
91.05470	2.1
92.05788	0.7
93.07104	0.8
105.07075	1.4
107.04979	0.8
109.06510	0.7
116.81115	0.7
118.41139	0.6
130.07813	1.0
131.05014	1.0
137.05984	0.8
143.08519	1.1
145.10104	1.7
153.07039	1.6
155.08511	1.0
158.07304	2.8
165.07033	4.3
167.07030	2.2
167.08450	0.8
169.06493	0.8
173.09662	5.5
175.07632	0.7
178.07834	1.7
179.08591	1.2
181.06511	3.1
181.10141	1.8
182.07292	0.9
183.07983	1.9
190.07816	1.4
191.07076	0.9
191.08571	2.3
192.09410	2.6
193.06488	1.9
193.10089	1.8
194.07289	3.0
195.08070	1.4
196.05238	0.8
197.06096	1.0
201.09068	5.4
202.07791	1.6
203.07037	1.1
203.08751	1.5
205.06482	2.1
205.10176	1.2
206.07199	1.0
206.10965	1.1
207.08112	1.3
207.11705	1.1
208.08896	2.4
209.06104	1.6
209.09634	7.7
210.06763	2.3
211.07510	3.7
218.07243	1.1
219.08095	4.5
220.08774	6.6
221.06107	1.0
221.09602	2.9
222.06831	1.4
222.10352	1.1
223.07555	2.1
223.11241	3.3
224.08385	1.4
224.11958	1.0
225.09175	2.5
226.06241	0.8
227.07118	1.0
232.08708	0.8
233.05901	1.5
233.09630	2.5
234.06824	1.2
234.08716	1.2
234.10707	1.4
235.07501	2.8
235.11191	5.5
236.08287	1.9
236.11810	1.3
237.09117	8.9
238.06265	1.4
238.09830	1.8
239.07030	3.1
239.10628	1.2
240.07875	1.3
241.08589	1.1
245.11835	0.8
247.07547	3.4
248.08292	6.0
249.09099	3.9
250.06433	0.9
250.09854	1.1
251.07144	1.5
251.10709	4.9
252.07764	1.3
252.11459	5.2
253.08597	1.6
253.12079	1.5
254.09241	0.9
255.06613	1.2
255.09862	1.1
256.07245	1.4
261.09335	1.1
262.09918	2.2
263.06906	1.1
263.10709	8.4
264.07874	1.2
264.11288	2.1
265.08624	8.8
265.11945	1.5
266.05783	1.1
266.09329	2.2
266.12973	1.2
267.06570	1.3
267.10144	2.0
267.13831	3.3
269.08490	1.3
269.11761	3.4
271.09698	1.8
276.07980	1.0
277.08655	1.8
277.12219	0.8
278.09430	1.1
279.10217	3.4
280.10962	8.2
281.08499	0.8
281.11725	3.3
282.08774	1.9
284.14142	1.0
287.09195	2.0
290.09293	1.0
291.10199	2.1
293.08078	3.0
293.11423	0.9
294.08957	1.2
294.12375	1.7
295.09842	1.9
295.13242	10.9
296.14035	2.5
297.11166	8.5
298.11572	1.7
299.09106	2.1
307.09421	0.8
308.10358	4.1
309.11136	4.4
311.12656	1.7
312.13501	3.9
322.12131	1.2
323.09161	1.8
323.12787	9.9
324.13431	4.1
325.10718	2.7
327.12125	1.6
327.15909	23.2
328.16431	1.6
339.12421	0.8
340.13138	1.7
355.15411	100.0
355.24454	15.1
356.15738	9.2
356.24713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.01856	0.4
55.05516	0.6
55.98616	0.4
61.65349	0.4
61.69728	0.4
65.03972	0.5
69.03434	0.4
70.35845	0.8
70.36191	0.6
71.05006	0.6
72.08141	0.4
76.18666	0.4
79.05506	0.7
86.09697	1.2
91.05496	1.8
93.07065	0.8
98.22640	0.4
100.11239	0.5
103.05475	0.8
105.07042	0.9
105.83578	0.4
106.31318	0.4
107.04996	0.6
109.06518	0.4
110.07204	0.4
115.05478	1.3
117.07048	0.6
119.04961	1.4
121.06506	0.8
121.10151	0.6
129.06955	0.4
131.04926	0.4
133.02896	0.5
133.06500	1.4
137.05981	3.8
141.07007	0.9
145.06499	1.2
147.04416	1.4
147.08069	0.9
151.07515	0.5
160.05186	0.5
161.06007	1.6
162.06734	0.7
163.03949	1.1
165.05544	0.5
167.07054	3.7
169.06499	1.3
173.06036	0.7
175.03951	0.9
175.07523	4.2
181.04868	0.4
182.15434	1.2
187.07503	0.8
193.08632	2.0
201.03714	0.7
201.05460	6.8
201.09079	0.5
205.06494	1.2
206.07213	0.5
210.14900	2.2
211.07680	0.4
228.15891	0.5
233.05962	0.4
234.06847	1.3
235.07576	0.4
237.08971	0.5
247.07367	0.4
249.09227	0.8
250.06221	0.6
251.07068	0.5
262.06244	0.9
263.06839	0.4
264.07672	0.4
265.08673	0.9
277.08490	0.9
290.05640	0.6
293.08093	0.5
295.09589	0.6
295.13199	0.4
305.08182	1.4
307.09369	0.4
309.11142	0.6
323.09122	1.3
325.10800	1.3
337.10739	1.2
337.21249	0.6
355.17291	100.0
356.17676	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.02389	0.9
53.03944	2.9
55.01858	2.9
55.05513	41.6
57.03440	12.1
57.07078	14.6
63.19352	1.0
65.03962	1.6
65.21747	1.0
67.05507	85.6
69.03442	1.0
69.07071	51.5
69.97788	2.2
69.98111	1.2
70.06598	1.8
71.04982	4.4
71.08635	7.9
74.16360	1.0
75.04484	1.9
75.79374	0.9
77.03910	1.2
79.05060	2.0
79.05496	31.2
81.07060	100.0
82.07391	2.5
83.04959	2.9
83.08624	35.2
85.06544	3.6
85.10176	3.6
87.74339	0.9
88.07626	4.4
91.05476	21.5
93.07050	33.3
93.64117	1.0
94.07368	1.1
95.04958	1.7
95.08607	90.9
96.08940	2.8
97.06544	11.1
97.10170	25.8
98.22697	1.1
99.08090	4.1
103.03920	1.7
105.06470	1.4
105.07043	13.9
107.08595	27.3
109.06548	2.1
109.10157	45.6
110.10451	1.3
111.08103	5.6
111.11720	9.6
113.09689	1.5
119.08582	18.9
121.10143	31.5
122.10490	1.1
123.08053	2.9
123.11709	24.4
125.09680	2.1
125.13257	2.2
127.11182	1.6
129.05475	3.5
131.08598	1.1
133.10139	18.2
135.11713	15.0
137.09647	3.2
137.13266	9.9
139.11188	2.3
139.14801	1.6
141.12752	2.6
147.11681	14.8
149.13263	15.5
151.11134	2.3
151.14839	6.7
153.12813	1.4
155.14281	1.2
161.13251	17.0
163.14836	15.4
165.12817	1.6
165.16405	7.7
167.14346	2.7
175.14806	11.5
177.16383	3.7
177.96593	1.0
179.14294	2.0
179.17949	3.9
181.15892	2.3
189.16338	6.9
193.15776	1.9
203.17950	3.0
207.17435	1.4
245.22655	46.2
246.23090	3.0
263.23700	45.8
264.24042	3.9
265.25250	2.1
281.24756	1.5
293.86658	1.2
334.41241	1.1
337.27377	26.5
338.27814	2.1
355.11761	1.7
355.28424	10.7
355.33942	19.2
356.11655	1.1
356.28748	1.4
376.40384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03950	2.5
55.01879	2.5
55.05513	34.9
57.03450	6.4
57.07079	17.6
58.39029	1.1
62.75680	1.2
65.03950	2.3
67.00806	1.2
67.05506	79.7
68.05832	1.6
69.07071	46.8
69.97509	3.3
70.06592	3.8
71.04984	3.1
71.08634	7.7
75.04505	1.4
79.05493	27.8
79.63075	1.1
81.07061	100.0
81.94136	1.1
82.07391	2.5
83.04992	3.5
83.08615	33.9
85.06553	2.5
85.10164	2.5
88.07649	5.7
91.05483	24.2
93.07046	33.0
95.04990	2.6
95.08610	89.4
96.08948	3.2
97.06542	8.9
97.10171	20.8
98.06939	1.3
98.10542	1.3
98.23318	1.7
99.08107	4.4
103.03976	2.1
105.07022	15.3
106.08680	2.9
107.08593	26.7
109.06530	2.2
109.10158	40.6
111.08075	5.5
111.11711	6.3
112.20434	1.2
112.95633	1.1
113.09672	2.3
114.23063	1.4
117.06997	1.6
117.34683	1.2
119.08567	16.0
121.10143	32.9
123.08092	3.0
123.11707	23.5
125.09644	3.6
125.13285	3.0
129.05501	2.7
131.08612	1.4
133.10123	20.9
135.11705	18.4
137.09637	2.5
137.13277	9.4
139.11133	2.4
141.12718	2.7
145.10146	1.4
147.11690	14.4
149.13275	16.1
151.11214	3.7
151.14824	7.2
154.59286	1.1
155.14323	2.6
161.13252	16.2
163.14824	16.6
164.15192	1.5
165.12784	1.9
165.16362	8.1
166.13193	1.3
167.14308	1.2
175.14827	11.3
177.16417	3.7
179.17987	5.3
189.16425	7.3
193.15961	2.2
196.36761	1.1
203.17934	3.3
207.17509	2.6
216.18437	1.1
217.04742	1.1
217.19543	1.4
244.26756	1.1
245.22658	50.9
246.22998	4.3
247.24324	2.4
263.23706	47.9
264.24121	3.1
281.15683	1.4
327.05884	1.3
337.27371	29.2
338.27658	2.3
338.34186	2.0
355.22733	2.1
355.28409	7.6
356.27356	1.2
356.35193	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01843	2.3
55.05514	37.5
57.03439	8.8
57.07080	15.7
59.54241	1.7
59.73066	1.8
67.05506	84.4
69.07069	41.4
70.06602	2.3
70.10542	7.2
71.05004	2.7
71.08623	7.5
79.05492	29.1
81.07056	100.0
83.04983	3.6
83.08611	28.9
85.06559	3.3
85.10186	4.9
88.07634	2.6
91.05476	21.0
93.07044	36.5
95.04960	2.8
95.08607	91.6
96.08985	2.1
97.06548	13.6
97.10166	21.7
99.08102	4.2
103.35865	1.8
105.07023	16.9
107.08592	20.5
109.09441	3.5
109.10159	47.7
111.08070	5.8
111.11719	9.4
113.09623	6.1
119.08598	14.4
121.10143	28.1
123.08067	3.1
123.11686	21.9
125.13307	3.4
127.46269	1.9
131.08530	1.7
133.10130	23.5
135.11710	18.6
137.09627	4.2
137.13252	9.4
139.11143	2.2
141.12752	2.7
147.11687	15.3
149.13300	14.6
151.11224	2.3
151.14804	7.8
153.12794	2.0
155.14252	1.9
161.13289	18.0
163.14812	16.7
165.12723	4.0
165.16409	6.1
167.14374	2.9
175.14833	12.5
177.16385	2.3
179.14320	2.1
179.17914	5.8
181.15918	1.9
189.16394	6.3
203.18008	2.7
207.17339	1.9
239.18321	1.8
245.22656	49.5
246.23030	4.0
263.23724	40.7
264.23996	4.6
299.26086	2.6
321.58090	1.9
337.27328	22.6
355.28329	6.5
356.35217	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.5
54.12400	2.8
55.01868	8.2
57.03439	6.0
61.02921	5.4
68.14904	2.4
69.03434	34.9
69.07092	2.6
70.06586	7.8
70.23495	9.5
71.04996	7.5
73.02923	4.3
73.06551	10.3
81.03419	19.8
83.89535	2.7
84.08147	3.8
85.02909	100.0
85.91128	2.4
87.00832	46.1
89.06021	3.0
97.02888	23.4
99.04445	12.9
101.02382	3.9
105.01869	80.4
109.02880	25.0
110.07166	3.7
127.03918	66.5
129.01820	5.3
141.01837	3.3
145.04951	30.0
145.08580	18.6
159.02904	8.8
163.03886	6.1
163.09695	8.3
164.04230	3.8
166.21622	2.8
168.06682	2.7
187.54787	2.6
189.03865	5.5
194.05383	4.3
213.03992	4.4
225.09929	3.5
231.05011	16.9
249.06128	3.9
346.75500	2.6
356.06723	3.2
356.13443	15.0
356.17596	6.3
357.11411	4.3
357.15280	10.9
357.25201	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01869	12.9
55.05499	5.7
57.03438	16.6
61.02942	8.9
67.05474	5.1
69.03424	33.2
69.07064	11.3
70.06591	14.9
71.04995	36.5
71.21814	6.4
72.08159	24.3
73.02911	7.1
73.06561	12.1
75.20866	5.4
81.03433	17.9
81.45782	6.1
82.96932	4.8
84.04538	6.7
84.08141	11.9
85.02912	100.0
86.09696	9.1
87.00832	34.2
89.06050	8.0
95.05011	6.4
96.70460	5.6
97.02900	34.5
99.04444	13.5
105.01877	63.9
109.02890	30.8
110.07185	20.8
116.07109	9.7
122.06033	14.0
127.03925	53.2
137.05968	13.9
141.01831	14.0
144.41245	5.5
145.04953	24.6
145.08603	77.6
151.03908	15.8
163.03934	17.0
163.09662	39.2
164.04268	19.7
168.06506	6.2
171.02866	9.2
193.05009	9.5
194.05290	12.5
203.03387	6.5
231.05037	18.6
303.07196	11.7
356.13913	57.9
356.17981	6.8
357.15378	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	20.2
55.01874	6.5
65.03936	5.3
67.05518	8.9
69.07052	6.1
69.08016	42.0
76.34108	5.6
76.86530	4.4
77.03925	8.1
79.05500	24.2
91.05473	55.3
93.07055	14.7
95.04984	27.6
95.08608	7.1
96.08145	13.1
97.06530	5.6
103.05463	10.4
105.03394	100.0
105.04488	8.8
105.07062	14.6
107.08583	8.2
109.10201	8.0
115.05450	32.5
117.07033	30.8
119.08557	8.3
121.06503	13.6
122.06039	6.2
128.06236	40.5
129.06987	48.7
131.08575	12.2
133.10156	7.3
141.07007	25.6
142.07828	21.3
143.08580	11.3
145.06493	4.0
145.10158	4.4
147.78304	4.3
153.07022	8.9
155.08566	19.4
156.09326	8.0
157.06496	8.2
157.10146	16.9
158.07341	8.4
165.07027	22.7
166.07767	14.0
171.08089	7.7
171.11702	5.0
184.08775	6.6
193.04910	5.0
199.11131	4.9
283.12646	4.5
356.34271	6.8
371.91379	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	356.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96613	0.3
52.52791	0.3
55.05516	10.6
57.07084	1.8
58.06598	1.1
62.06074	0.5
69.07072	8.0
70.06209	0.7
70.06596	13.5
70.55766	0.7
71.08638	0.7
74.06106	0.6
81.07042	0.5
81.60256	0.3
83.08629	3.6
88.07636	18.2
95.08629	0.3
97.10169	1.3
98.44246	0.3
102.09184	4.3
104.45628	0.3
106.08669	8.1
128.46471	0.3
261.98093	0.3
267.44962	0.3
294.31561	0.4
312.32672	0.8
338.34180	6.3
339.34579	0.4
356.35233	100.0
357.35538	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	356.3521
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05515	10.3
56.58886	0.5
57.07076	1.8
58.06594	0.9
67.05483	0.7
68.05001	0.4
69.07076	9.2
70.06599	14.1
70.16422	0.4
70.55462	0.7
70.55798	0.9
71.08615	0.6
72.01428	0.4
79.05536	0.4
81.07040	0.5
83.08623	4.1
87.84229	0.4
88.07636	17.1
95.08617	0.5
97.10168	1.4
102.09191	4.4
106.08671	8.9
118.08602	0.5
127.88074	0.4
133.38907	0.5
246.16870	0.4
312.32635	1.0
338.34155	5.6
356.35239	100.0
357.35608	9.7
357.40085	0.5
357.66699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	4.2
55.05482	0.9
63.12181	0.6
65.03934	1.1
66.35654	0.7
69.03409	2.2
69.07056	1.3
70.06570	2.9
71.04971	0.9
79.05473	2.1
81.07029	1.6
83.04974	1.0
84.08119	0.7
85.02889	1.8
86.09692	2.3
89.03897	1.9
91.05475	6.0
93.03403	1.6
93.07018	2.7
94.04202	1.3
95.04931	1.0
95.08587	0.9
97.02887	1.2
97.06509	0.7
98.22582	1.4
102.29281	0.6
103.05463	3.4
105.06992	2.9
106.04144	1.0
107.04923	1.8
107.08582	1.5
108.08056	0.8
109.06486	1.2
109.10125	1.1
111.04401	0.9
114.33710	0.6
115.05421	2.4
115.47826	0.6
116.04997	3.9
117.07045	0.8
119.04928	2.3
119.08552	1.6
121.06461	2.1
121.10126	1.5
122.03594	1.6
122.06030	0.7
125.06011	1.0
125.09636	0.8
127.03872	1.4
128.06197	0.7
131.04906	2.9
133.06474	1.8
133.10075	0.8
135.08034	1.5
136.07549	2.1
137.05983	14.9
144.04451	8.3
145.06372	1.2
147.04382	2.9
147.08093	0.8
149.05934	2.4
151.03912	5.2
151.07523	1.6
153.05415	2.0
155.04822	1.4
161.05980	4.1
162.05507	1.1
162.06706	1.0
163.07497	2.0
165.05493	1.4
165.06969	1.2
166.08566	1.0
167.06963	2.5
171.04332	1.3
172.03922	23.1
172.05333	1.7
175.07474	3.2
177.05461	6.4
179.07002	1.1
179.08469	1.1
183.04372	0.9
185.05957	2.5
187.07520	1.2
189.06970	0.8
191.08493	1.6
195.07968	0.8
203.07019	9.4
204.06557	32.3
205.06731	1.6
206.07245	0.8
207.08006	1.8
208.08885	0.9
210.19008	0.8
215.07057	5.6
218.07237	0.9
219.07953	3.0
221.06003	1.2
227.05205	1.0
234.06654	1.5
235.07462	2.8
236.08180	1.2
245.06430	0.9
246.06781	1.0
247.07454	2.4
249.09068	2.2
251.07014	1.0
261.09119	1.0
263.06949	1.7
264.07642	0.9
265.08456	1.4
271.04028	0.9
271.11374	2.9
275.07025	1.1
275.10178	0.8
277.08658	4.2
279.06564	1.1
279.10101	1.4
281.07816	1.4
287.03467	0.9
289.05255	1.4
289.08344	1.5
290.08713	0.9
293.08072	0.9
294.08563	0.8
295.09323	0.8
296.10580	0.9
297.11053	0.9
300.13248	0.8
306.08743	1.0
307.09543	3.8
309.10999	2.9
311.09128	1.2
313.09128	1.3
313.12564	23.6
314.12781	1.4
321.11230	1.3
325.10529	3.2
327.12134	3.0
339.12033	1.5
357.11432	100.0
358.11710	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	357.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	4.2
55.05482	0.9
63.12181	0.6
65.03934	1.1
66.35654	0.7
69.03409	2.2
69.07056	1.3
70.06570	2.9
71.04971	0.9
79.05473	2.1
81.07029	1.6
83.04974	1.0
84.08119	0.7
85.02889	1.8
86.09692	2.3
89.03897	1.9
91.05475	6.0
93.03403	1.6
93.07018	2.7
94.04202	1.3
95.04931	1.0
95.08587	0.9
97.02887	1.2
97.06509	0.7
98.22582	1.4
102.29281	0.6
103.05463	3.4
105.06992	2.9
106.04144	1.0
107.04923	1.8
107.08582	1.5
108.08056	0.8
109.06486	1.2
109.10125	1.1
111.04401	0.9
114.33710	0.6
115.05421	2.4
115.47826	0.6
116.04997	3.9
117.07045	0.8
119.04928	2.3
119.08552	1.6
121.06461	2.1
121.10126	1.5
122.03594	1.6
122.06030	0.7
125.06011	1.0
125.09636	0.8
127.03872	1.4
128.06197	0.7
131.04906	2.9
133.06474	1.8
133.10075	0.8
135.08034	1.5
136.07549	2.1
137.05983	14.9
144.04451	8.3
145.06372	1.2
147.04382	2.9
147.08093	0.8
149.05934	2.4
151.03912	5.2
151.07523	1.6
153.05415	2.0
155.04822	1.4
161.05980	4.1
162.05507	1.1
162.06706	1.0
163.07497	2.0
165.05493	1.4
165.06969	1.2
166.08566	1.0
167.06963	2.5
171.04332	1.3
172.03922	23.1
172.05333	1.7
175.07474	3.2
177.05461	6.4
179.07002	1.1
179.08469	1.1
183.04372	0.9
185.05957	2.5
187.07520	1.2
189.06970	0.8
191.08493	1.6
195.07968	0.8
203.07019	9.4
204.06557	32.3
205.06731	1.6
206.07245	0.8
207.08006	1.8
208.08885	0.9
210.19008	0.8
215.07057	5.6
218.07237	0.9
219.07953	3.0
221.06003	1.2
227.05205	1.0
234.06654	1.5
235.07462	2.8
236.08180	1.2
245.06430	0.9
246.06781	1.0
247.07454	2.4
249.09068	2.2
251.07014	1.0
261.09119	1.0
263.06949	1.7
264.07642	0.9
265.08456	1.4
271.04028	0.9
271.11374	2.9
275.07025	1.1
275.10178	0.8
277.08658	4.2
279.06564	1.1
279.10101	1.4
281.07816	1.4
287.03467	0.9
289.05255	1.4
289.08344	1.5
290.08713	0.9
293.08072	0.9
294.08563	0.8
295.09323	0.8
296.10580	0.9
297.11053	0.9
300.13248	0.8
306.08743	1.0
307.09543	3.8
309.10999	2.9
311.09128	1.2
313.09128	1.3
313.12564	23.6
314.12781	1.4
321.11230	1.3
325.10529	3.2
327.12134	3.0
339.12033	1.5
357.11432	100.0
358.11710	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	357.1333
Annotation	Melianoninol
Peak:m/z	Relative Intensity
51.02387	0.6
53.03940	1.2
55.01867	2.2
55.90015	0.6
65.03937	1.1
69.03393	0.6
71.17311	0.8
78.04713	2.8
79.05494	5.9
81.03424	0.6
81.07051	0.9
81.86406	0.5
83.04961	1.1
91.05469	5.7
93.03388	1.3
95.04977	1.8
102.04698	0.9
103.05465	7.0
105.03388	1.7
105.04488	0.7
105.07034	8.3
106.04182	2.6
107.04953	10.0
109.06483	0.6
111.08089	0.6
115.05439	3.9
117.07001	2.9
118.04199	2.7
119.04955	4.3
121.06481	1.8
123.04437	7.4
124.05221	2.3
125.05968	0.6
125.07690	0.6
128.06238	2.4
129.07002	5.7
130.04146	2.0
131.04930	11.3
132.05695	1.9
133.02856	0.8
133.06496	9.3
134.03647	1.3
135.04402	0.8
135.08063	2.3
137.05983	4.0
139.05388	1.1
141.07013	0.6
143.04858	0.9
145.06468	7.4
146.03621	1.0
147.04417	9.6
148.05103	2.2
149.05969	3.2
151.03937	2.6
151.07536	1.6
152.04649	2.0
153.05470	1.9
155.04919	1.2
157.06483	4.1
159.04453	0.9
159.08049	0.6
160.05191	1.7
161.05984	28.8
162.06529	0.8
163.07523	5.2
165.05527	0.9
165.06998	1.4
167.07040	100.0
168.07396	3.5
169.06435	0.9
173.05986	10.9
174.06451	0.7
175.07552	5.4
176.04727	3.1
177.05470	4.5
178.07777	1.9
179.07062	0.9
179.08557	2.3
180.07805	1.4
180.09416	0.7
181.06488	1.3
181.08556	1.2
184.05292	0.7
185.05972	13.7
186.06522	0.7
189.05562	0.6
189.07036	2.4
190.06227	0.7
190.07721	3.4
191.07031	32.3
191.08543	2.5
192.07693	3.1
192.09351	0.6
193.06494	0.9
193.08533	1.2
194.07253	0.9
195.06499	0.8
195.08124	1.6
195.10170	6.2
197.06075	0.6
202.07773	2.1
203.07028	4.9
203.08618	2.2
205.06538	2.0
205.10144	1.3
206.07242	2.4
207.06450	0.7
207.08009	3.6
208.08604	1.0
209.06075	0.8
209.07925	0.9
209.09712	0.9
210.06841	0.9
215.08699	2.6
218.07248	4.6
219.08043	7.3
220.08788	1.1
221.05960	1.9
221.09624	2.5
223.07495	1.9
224.08171	0.8
225.09039	0.9
229.06493	0.7
231.08058	1.9
232.08704	0.6
233.06001	0.9
233.09608	3.7
234.06786	2.4
235.07492	5.0
236.08244	3.3
237.05466	0.7
237.09030	2.1
238.06261	0.7
246.06715	1.2
247.07539	5.9
248.08214	1.7
249.05516	1.3
249.09149	2.3
250.06287	0.9
250.09932	0.7
251.07063	1.9
251.10605	1.0
252.07603	1.0
253.08740	0.8
257.05923	0.6
260.08426	0.8
261.09100	4.6
263.06934	3.4
264.07742	3.5
265.08542	3.2
266.05899	1.0
266.09250	0.6
267.10156	2.3
269.08200	0.7
275.07071	5.1
275.10236	0.8
276.07700	0.7
277.08521	2.7
278.09409	1.0
279.06955	1.0
279.10117	5.0
279.72662	0.5
281.08130	2.1
281.11594	1.3
289.08661	3.1
292.07321	3.1
293.08105	9.0
293.11304	1.1
294.08740	2.3
295.09607	3.1
296.10309	1.1
297.11169	1.8
306.08923	1.0
307.09674	7.7
308.10239	1.1
309.07730	1.2
309.10995	1.2
311.09113	0.9
311.12732	0.8
312.09872	3.6
313.10574	0.5
321.11389	2.8
324.09634	0.7
325.10645	9.3
326.11319	1.7
327.12195	4.5
339.12265	9.2
357.13284	12.8
358.13400	0.9
372.75433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.133
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
51.43935	1.6
53.03931	1.7
53.04174	1.9
55.01870	18.4
55.05478	2.0
65.03937	4.4
67.05508	3.5
69.03452	2.1
69.07072	3.2
71.04971	2.4
79.05494	6.5
81.03423	2.1
81.07046	7.9
86.09693	11.7
89.03897	2.3
91.05466	12.9
93.03403	3.8
93.07063	4.2
94.04203	7.1
95.08606	2.8
103.05477	6.3
105.07050	9.1
107.04963	4.2
109.02921	2.0
109.06519	6.7
109.10179	1.9
111.04457	7.0
113.06063	1.8
115.05467	10.4
117.03407	3.9
117.07050	3.3
119.04951	2.6
119.08549	2.1
121.06518	4.5
121.10154	1.6
122.03633	16.5
125.05991	4.6
129.07036	1.9
131.04915	7.8
133.06479	4.4
133.10086	2.3
137.05975	100.0
138.06296	2.8
143.04941	8.4
144.05650	2.9
145.02873	3.8
145.06467	2.2
146.03613	5.1
146.17790	1.6
147.04439	5.8
149.06000	7.4
151.03885	5.2
151.07503	2.1
153.05457	3.7
155.04919	6.9
160.05186	3.7
161.05986	27.5
162.06804	2.5
163.07489	2.1
165.05504	29.8
165.06995	5.5
167.06976	2.9
171.04361	2.3
172.05165	3.4
173.05893	2.1
175.07405	7.8
177.05481	16.4
178.07787	2.4
179.07112	1.9
179.08559	6.6
183.04410	5.0
185.05971	2.7
187.07516	8.2
189.06956	9.9
190.07741	12.7
191.07042	2.5
191.08591	14.8
197.06021	2.0
199.18089	4.9
201.07043	3.3
202.07826	4.1
203.06947	12.6
203.08488	3.2
205.06519	7.3
206.07222	2.4
207.08046	12.4
208.08755	4.1
215.07001	12.1
215.08803	2.3
217.06531	7.0
218.07245	23.7
219.08041	32.4
220.08821	3.9
221.05952	4.2
222.06715	2.4
223.07523	2.8
229.06374	9.0
231.08093	4.6
233.05957	4.1
233.09625	3.1
234.06801	9.4
235.07520	17.1
236.08218	11.0
237.09048	3.6
245.06134	2.8
246.06783	20.3
247.07520	34.5
248.08229	6.9
249.05678	2.4
249.09123	14.2
250.06219	2.8
250.09865	2.7
251.07033	5.5
251.10701	5.8
252.07794	3.9
253.08577	3.7
257.05911	8.7
258.06683	2.2
259.07550	5.0
261.09122	31.9
262.06284	7.0
262.09366	2.1
263.07086	17.3
264.07831	18.4
265.08557	8.9
267.10220	6.5
269.08176	3.2
269.92294	1.8
274.06299	12.0
275.06970	10.7
276.07758	2.9
277.08588	23.0
278.09271	7.6
279.06720	3.4
279.10159	15.5
280.07236	2.9
280.10413	2.5
281.08167	3.3
282.08917	1.7
284.10602	2.1
289.08585	38.9
290.09250	8.9
291.06537	7.5
291.09711	2.0
292.07245	5.3
293.07895	2.7
294.08893	8.5
295.09641	8.9
296.10391	2.5
297.10999	3.4
306.08917	8.9
307.09641	78.5
308.10120	6.9
309.07721	3.0
309.11072	20.6
310.11740	2.9
311.12961	2.4
321.11206	46.9
322.11526	2.4
324.09784	2.5
327.12247	20.6
329.13837	2.1
339.12268	27.4
340.12756	2.4
357.13391	16.9
357.18259	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	357.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01538	0.6
56.96547	4.6
66.20681	0.6
69.61507	2.7
70.06593	1.6
80.20062	0.6
84.08145	1.6
98.97583	3.9
100.02870	0.5
112.07598	0.6
116.98631	1.6
120.08923	0.6
120.96352	0.6
127.37760	0.6
129.10255	1.2
138.02306	1.1
141.46828	0.5
156.03329	56.3
157.03575	0.8
163.04079	0.6
168.03336	32.4
169.03687	0.9
172.94374	1.5
174.04404	35.1
175.04704	0.7
186.04402	100.0
187.04774	2.6
190.95384	1.2
192.05507	3.9
204.05463	52.6
205.05904	1.1
207.04825	0.6
209.06003	1.1
214.95485	0.9
222.06522	1.1
227.07242	0.7
228.05450	39.3
229.05882	1.4
232.96449	4.2
245.05168	1.2
246.06522	33.2
247.06783	0.9
250.97417	1.5
267.10187	0.9
269.07986	1.0
274.97458	1.0
279.10172	17.3
279.13278	0.9
297.11234	37.4
298.11639	1.5
315.12228	1.5
332.96552	1.1
357.13632	0.7
357.25082	1.4
358.14960	0.7
374.97360	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01875	24.6
57.39665	2.7
63.60406	2.8
65.03942	3.9
70.57246	6.3
73.85494	2.7
79.05493	5.2
81.07050	3.3
84.49498	2.5
84.65427	2.6
89.03881	3.8
91.05473	6.9
93.03413	4.1
94.04196	9.2
95.04980	3.4
103.05483	8.3
105.07041	3.4
107.04955	3.1
109.06535	10.0
111.04421	8.4
115.05454	10.5
117.03364	4.1
121.06556	3.5
122.03656	20.3
131.04959	3.8
133.40237	2.8
137.05983	93.4
138.06367	2.8
143.04921	6.4
145.02824	4.2
145.06470	3.2
146.03610	7.0
147.04372	6.8
149.06007	7.0
151.03902	6.2
155.04922	5.8
159.04416	4.2
161.06001	29.6
162.06779	8.2
163.07538	6.4
165.05499	40.7
165.06865	5.4
171.04391	4.3
175.07532	4.2
177.05531	15.9
179.08617	4.7
187.07565	5.3
189.06970	8.1
190.07748	11.6
191.08549	17.1
193.06389	3.7
202.07751	5.4
203.07079	9.5
205.06412	7.9
206.07451	3.8
207.08083	12.0
208.08824	4.6
210.06786	3.1
215.07043	9.8
217.06509	6.9
218.07242	28.4
219.08052	30.9
220.08667	7.8
221.05991	5.6
223.07541	4.5
229.06549	12.8
231.08073	3.8
233.06021	3.4
233.09692	5.3
234.06757	12.1
235.07504	24.0
236.08350	11.5
237.05388	4.2
237.09071	4.6
246.06747	25.3
247.07550	42.6
248.08170	8.9
249.05537	4.1
249.09096	10.6
250.06262	4.6
250.09964	3.4
251.07048	5.8
251.10646	8.8
252.07787	3.7
253.08530	3.6
257.05939	12.5
258.06741	6.4
259.07489	4.7
261.09113	37.0
262.06335	3.8
262.09634	3.2
263.07013	19.2
264.07806	21.9
265.08554	9.9
267.10156	8.0
269.08044	4.6
274.06229	18.9
275.07077	17.8
276.07721	3.9
277.08612	30.2
278.09280	10.3
279.10114	25.4
280.10651	3.3
284.10385	3.3
289.08606	50.3
290.09143	13.9
291.06573	6.5
292.07303	7.3
293.08237	5.4
293.11688	6.0
294.08871	11.6
295.09729	7.0
305.63898	2.9
306.08911	11.5
307.09628	100.0
308.10153	12.4
309.11148	17.8
321.11252	66.6
321.14444	2.2
322.11392	6.8
324.09875	4.2
326.49655	3.0
327.12143	23.3
327.60321	3.1
339.12311	34.3
357.13217	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	357.1334
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
53.03943	0.2
54.17998	0.2
55.01870	0.5
61.88108	0.1
65.03938	0.5
66.04698	0.2
67.05502	0.6
70.06586	0.2
70.53370	0.4
77.03948	0.3
79.05495	0.7
81.03401	0.5
81.07063	0.5
83.56136	0.2
85.02894	0.3
86.09705	0.3
89.03935	0.3
91.05485	0.9
93.07027	0.3
94.04191	2.7
95.04972	0.6
102.30052	0.2
105.07048	0.2
107.04921	0.4
108.02112	0.4
109.06489	0.4
111.04497	0.3
115.05450	1.7
116.04996	0.9
117.07023	1.1
119.08495	0.2
122.03651	7.2
129.07007	0.4
131.04958	0.3
135.04390	0.2
137.05975	100.0
138.06314	3.0
141.05444	0.5
143.04918	6.2
144.04445	1.7
144.05467	0.3
145.06506	0.5
147.08072	0.2
151.03915	18.7
151.05011	2.0
152.04262	0.7
157.06506	0.4
160.05180	0.3
161.05843	0.2
162.05495	0.5
165.05524	0.4
167.06995	0.3
172.03937	5.3
172.05159	0.2
173.04231	0.3
175.07559	1.8
177.05478	0.2
181.05061	0.2
187.07520	0.2
189.09233	0.2
191.06998	0.2
191.08600	0.3
203.07013	2.2
204.06557	8.3
205.06856	0.4
205.08577	2.6
206.08969	0.2
215.07036	0.2
218.07272	0.2
219.08047	0.3
236.41078	0.2
279.10312	0.4
295.09854	0.2
307.09604	0.5
321.11200	0.6
327.12262	11.0
328.12576	0.8
339.12488	0.6
357.13315	16.5
358.13678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Horsfieldin
Peak:m/z	Relative Intensity
55.01860	0.7
58.83163	0.2
61.01461	0.2
65.03937	0.8
66.04726	0.3
67.05502	0.7
68.99766	0.2
69.03439	0.5
70.06584	0.3
70.67392	0.7
71.04981	0.2
79.05511	0.6
81.03404	0.8
81.07040	1.0
85.02909	0.3
91.05486	1.3
93.07042	0.7
94.04185	2.3
95.04978	0.4
95.08607	0.4
103.05494	0.5
105.03408	0.4
105.07054	0.6
107.04957	0.7
108.02119	0.3
109.06532	0.4
109.10171	0.3
115.05457	1.5
117.07028	1.0
119.08625	0.2
121.10137	0.3
122.03655	7.6
123.11697	0.3
129.06967	0.6
131.04910	0.3
137.05981	100.0
138.06311	3.5
141.05496	0.3
143.03879	0.4
143.04932	5.6
145.06500	0.5
151.03918	16.5
151.04993	1.2
153.05362	0.3
157.06471	0.5
165.05522	0.3
167.07059	0.4
171.04443	0.5
175.07564	2.3
177.05464	0.4
178.07860	0.3
187.07503	0.3
189.08997	0.4
191.07002	0.5
191.08585	0.3
198.28354	0.2
203.07001	2.0
205.08612	3.0
207.08151	0.4
215.07031	0.3
218.07324	0.4
219.08052	0.7
221.06001	0.5
226.91217	0.3
235.07571	0.3
236.08194	0.4
247.07529	0.3
249.05484	0.3
249.08812	0.2
264.07608	0.3
265.08737	0.5
269.07880	0.3
277.08636	0.5
279.10141	0.5
292.07306	0.3
295.09641	0.4
297.11078	0.4
307.09708	0.8
308.10788	0.2
311.12869	0.6
321.11105	0.3
325.10638	0.5
325.24075	0.3
327.12262	11.0
328.12704	0.8
329.13785	0.4
339.12198	0.7
357.13339	19.7
357.18457	1.1
358.13657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	34.7
59.84621	18.9
63.91483	21.7
67.05499	25.1
68.96781	19.6
69.07073	36.9
70.73336	54.7
71.04987	34.8
79.05495	31.9
81.07062	71.1
83.08623	24.1
91.05483	32.9
93.07066	58.6
95.08662	56.4
105.07053	60.8
107.08597	77.6
109.06564	31.4
109.10142	42.9
111.08112	29.7
119.08595	59.4
121.10163	42.3
133.10214	20.9
135.11676	38.3
137.05984	38.9
145.10149	59.5
147.11731	27.7
157.10098	29.2
159.11768	52.1
161.13304	26.4
167.10637	21.8
171.11662	25.1
182.18205	24.2
211.84341	18.8
221.15280	23.4
223.91783	20.7
230.11108	22.8
335.15100	35.2
356.34695	29.8
357.20309	100.0
357.24347	71.6
357.28140	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1676
Annotation	Pyriferine A
Peak:m/z	Relative Intensity
50.46861	0.4
50.89659	0.4
55.01873	0.8
66.26583	0.4
67.05500	0.9
69.00339	0.8
69.00742	4.1
69.03412	0.5
71.04989	0.5
79.05498	0.7
81.07054	1.5
83.08635	0.6
86.09718	0.5
91.05473	1.0
93.03469	0.4
93.07041	1.2
95.08615	0.6
97.56596	0.4
99.95000	0.4
105.07044	1.4
107.08572	0.5
109.10121	0.5
119.08591	1.2
121.06527	0.6
122.03703	0.7
127.37019	0.4
131.08557	0.7
133.10103	0.7
137.05971	3.8
145.10072	0.9
151.04016	0.5
159.11673	0.5
161.05930	0.6
161.09686	0.5
179.97913	0.4
247.07513	0.7
307.09714	0.6
327.12256	0.5
339.12491	0.5
357.16751	100.0
358.17117	7.4
376.22458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05511	73.5
57.03435	8.4
57.07077	51.0
58.03742	3.9
59.86983	3.9
65.03912	3.8
67.05506	77.2
69.07069	97.1
70.06595	23.9
70.07417	3.7
71.04984	7.3
71.08635	28.5
71.32043	4.5
77.38052	3.6
79.05489	47.3
79.64784	3.8
81.07056	100.0
81.07522	6.3
82.07389	3.5
83.04980	5.8
83.08614	72.6
85.06586	3.8
85.10195	17.5
87.04475	8.0
87.30911	3.1
88.07629	18.6
88.89712	3.2
91.05495	10.8
93.07053	61.4
95.08609	87.8
97.06532	25.8
97.10178	45.6
99.08093	5.3
105.07069	5.5
106.08662	7.6
107.08595	51.0
109.10159	48.1
111.08099	10.9
111.11738	21.8
119.08553	6.1
121.10146	84.6
122.10502	4.6
123.11718	20.2
125.09661	8.8
125.13309	5.0
133.10175	4.4
135.11699	79.5
137.13248	5.4
139.11189	5.8
149.13266	36.9
151.14850	12.1
153.12764	5.8
159.11914	3.8
163.14795	17.6
165.16388	8.4
177.16350	8.9
181.15912	5.4
191.17917	8.9
205.19490	5.0
227.18050	3.7
247.24214	79.1
248.24548	7.9
265.25296	64.5
266.25632	5.7
283.26086	3.8
339.25873	3.7
339.29089	47.6
339.33606	4.7
339.34418	4.2
340.35855	5.0
357.14682	7.0
357.35526	55.4
358.36850	91.6
369.93195	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	4.1
53.89289	3.4
55.01861	5.2
55.05512	69.7
57.03431	16.3
57.07074	48.9
67.05503	73.6
69.07071	100.0
69.09100	16.1
69.09523	13.5
70.06590	19.9
70.07367	4.5
71.05016	4.1
71.08639	34.7
75.01718	4.4
79.05492	50.4
81.07053	94.7
83.08617	72.0
85.10188	14.9
88.07639	28.4
91.05489	12.4
93.07051	68.3
95.08607	79.4
97.06535	36.0
97.10166	40.8
99.08047	4.6
102.09199	6.2
103.03938	4.8
105.07048	4.6
106.08669	8.7
107.08587	46.4
109.10162	39.9
111.08084	11.5
111.11745	11.3
117.84258	3.7
121.10155	89.1
123.11703	18.3
125.09615	7.0
125.13245	5.5
135.11694	66.1
137.13280	7.1
139.11169	4.9
149.13269	34.5
151.14839	5.0
163.14749	6.5
165.16362	4.7
167.14366	5.3
177.16408	11.1
191.17982	6.1
236.63133	3.8
247.24225	59.2
265.25250	46.9
283.26279	6.2
299.54297	4.9
339.28937	33.6
340.35880	6.8
357.24255	4.5
357.35565	80.2
358.36789	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.3
57.07078	8.6
58.06598	0.7
58.07410	0.2
62.06086	0.4
67.32658	0.2
68.05051	0.2
69.07059	0.3
69.13232	1.2
70.06594	15.0
71.06902	0.3
71.08634	3.9
85.10187	1.6
86.06068	0.3
88.07632	19.8
89.07961	0.3
98.22612	0.4
102.09184	4.7
106.08671	9.7
109.10187	0.2
125.09612	0.2
166.26959	0.2
202.83725	0.2
290.33337	0.2
296.33020	0.3
314.34195	0.7
340.35742	6.9
341.36151	0.7
358.36786	100.0
359.37134	8.5
359.41663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.9983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.5
61.83411	3.3
63.00626	3.8
65.17895	3.6
66.49412	3.9
68.11309	4.3
69.05685	34.6
75.55346	4.3
98.97589	100.0
100.23191	4.1
116.98618	39.6
134.99681	17.3
142.65991	3.6
172.94382	12.7
174.97646	9.8
177.01083	5.2
190.95442	10.6
192.98785	9.7
214.95503	14.6
216.98721	29.3
219.02055	6.8
230.05232	4.3
232.96494	48.5
233.96791	5.2
234.96182	9.2
234.99751	50.2
235.99808	5.6
245.01694	4.0
250.93918	5.9
250.97588	26.7
251.94789	7.9
251.97522	4.9
252.97232	9.2
256.96603	18.3
258.99741	28.0
261.03149	12.6
263.03061	11.0
274.97696	37.4
275.97998	4.8
277.00723	33.5
292.95053	12.9
292.98724	9.5
293.95804	17.3
298.97739	45.3
299.98010	5.5
303.00909	8.0
307.93665	5.6
316.95096	50.7
316.98853	63.4
317.95242	6.9
317.99057	9.4
322.63724	5.1
334.96109	41.7
335.96277	6.2
340.98764	32.6
341.98828	4.7
358.96060	3.7
358.99872	68.6
359.03537	3.8
359.99942	7.3
376.97122	14.9
382.01239	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	359.149
Annotation	Prestegane B
Peak:m/z	Relative Intensity
50.09426	1.9
53.03946	3.4
55.01867	8.3
55.05515	2.5
57.03431	2.9
65.03938	3.2
67.05509	5.5
69.03426	4.1
69.07066	4.4
70.91064	4.0
71.05003	3.8
72.08144	16.3
79.05494	7.5
81.03400	3.7
81.07060	7.3
84.08146	7.1
85.02912	6.9
86.09705	23.4
87.10030	4.2
91.05488	26.7
93.07047	6.5
94.04174	5.3
95.04973	7.5
95.08605	3.4
97.02888	3.0
97.06528	10.7
99.04462	2.4
103.05502	9.9
105.03393	3.9
105.07039	11.5
107.04950	11.0
107.08591	2.9
109.06534	10.8
109.10149	2.5
110.03677	2.4
111.08079	1.9
115.05473	6.0
117.07045	4.2
119.04952	25.4
119.08622	4.2
121.02876	2.8
121.06512	7.7
122.03644	8.5
123.04455	2.7
123.08083	3.0
125.06018	3.6
125.09535	2.2
127.03951	2.8
129.07001	3.2
131.04913	12.3
131.08575	2.8
132.05585	1.8
133.06500	5.9
133.10139	2.8
135.04411	3.4
135.08058	4.5
137.05980	100.0
137.09491	2.0
137.35147	1.9
138.06325	2.7
141.06990	1.9
143.04895	3.2
143.08693	1.8
144.05699	2.2
145.06462	4.6
146.07259	1.8
146.11801	4.2
147.04402	20.4
147.08073	3.6
147.11749	2.0
149.05972	9.0
151.03925	15.9
151.04994	3.7
151.07567	10.5
153.05511	5.3
157.06566	2.6
159.08084	7.1
160.05215	2.8
161.05989	19.6
162.06744	9.4
163.07529	4.3
165.05576	2.3
165.07030	2.4
167.07077	9.2
167.08517	3.3
169.06551	2.0
169.10130	2.1
172.05264	2.6
175.07536	17.5
177.09105	1.9
179.07120	13.4
179.08493	3.5
181.04948	14.8
181.06490	4.9
187.07539	11.9
190.07755	2.1
191.08589	6.2
193.08646	6.6
195.08076	4.9
197.06006	3.9
198.06902	2.4
200.18417	4.0
202.07896	3.5
203.08553	5.4
205.06857	3.5
205.08635	10.2
206.07103	3.1
207.08104	2.2
209.05838	1.9
210.06718	4.3
211.07535	4.7
212.08249	2.5
219.08040	7.7
220.30997	2.1
221.09578	4.9
222.06857	4.5
223.07550	6.8
225.09064	4.8
227.06953	3.1
231.08116	4.4
237.08943	4.0
238.09872	4.7
240.07779	6.2
247.07512	3.4
248.08287	4.9
249.09161	3.6
251.07060	4.2
251.10616	4.0
252.07927	3.4
253.08568	6.8
253.12230	2.9
255.06641	3.9
255.10201	2.9
257.08054	2.6
263.06927	1.9
263.10382	2.5
265.08737	4.2
266.09348	2.3
267.10245	3.4
269.08154	9.6
278.30069	2.0
279.10208	4.0
281.08261	4.5
281.11563	3.8
283.06433	2.0
283.09659	8.1
285.07620	3.5
291.10001	4.5
296.10336	3.9
297.07498	4.8
297.10873	2.3
298.08298	6.3
298.11746	2.1
299.12875	4.6
300.10016	10.5
309.11157	7.4
311.12781	4.2
313.07062	2.2
313.10660	36.7
313.14340	24.5
314.10864	2.9
326.11380	4.1
327.12335	7.0
331.15350	12.7
341.13858	24.7
359.14883	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	359.1488
Annotation	Margicassidin
Peak:m/z	Relative Intensity
51.02393	2.5
53.03947	13.5
55.01878	19.9
55.05506	3.8
55.86970	1.8
56.05031	2.1
57.03431	16.5
65.03937	6.2
67.05512	11.6
68.99741	2.4
69.03428	50.0
69.07063	6.5
70.06200	4.4
70.06590	86.2
71.01393	4.3
71.04989	35.7
72.08153	6.7
73.02893	6.4
77.03912	2.1
79.05490	18.3
81.03416	33.1
81.07048	8.0
83.04948	3.5
84.04532	2.1
84.08144	10.3
85.02901	32.5
86.09705	67.0
87.04461	2.0
87.05602	3.5
89.03880	2.6
91.05479	33.5
93.03432	2.8
93.07028	8.8
95.01323	11.4
95.04958	19.2
97.02885	17.9
97.06515	8.4
98.23455	4.3
99.04435	5.5
103.05472	12.9
105.03418	11.3
105.07030	25.8
107.04950	10.8
107.08611	5.3
109.02878	5.6
109.06490	3.1
111.04428	5.0
115.05452	31.7
116.06322	3.0
116.07040	9.5
117.07033	24.9
119.04947	9.1
119.08563	4.4
120.08103	22.0
121.02887	2.4
121.06516	7.8
123.04420	9.2
123.08036	4.5
127.03931	10.5
127.05407	2.9
128.06224	37.4
129.03378	2.3
129.04495	3.3
129.07010	31.0
129.10236	6.7
131.04915	19.2
131.08546	14.4
132.05745	2.3
133.06519	11.4
133.10167	3.1
135.04402	4.6
135.08052	6.4
137.05968	37.2
138.06310	2.6
141.06992	33.1
141.10234	4.6
142.07709	7.7
143.04883	2.4
143.08537	12.9
143.11816	3.8
144.05704	3.7
145.06487	23.8
145.10136	4.5
147.04419	5.7
147.08051	6.1
147.11310	2.9
149.05992	6.1
151.03905	6.7
151.07556	6.5
152.06210	6.6
153.06982	23.0
154.07773	18.3
155.04886	3.1
155.06032	4.9
155.08577	17.5
157.06511	9.5
157.10136	3.3
158.07240	4.6
159.08026	9.0
161.05960	9.2
161.09569	3.0
162.06764	3.0
163.07492	3.0
165.05716	2.6
165.07051	12.1
166.07614	4.2
167.07033	10.7
167.08585	10.9
168.05666	2.3
168.09184	2.9
169.06534	11.6
169.10104	10.5
170.07220	2.3
171.08049	19.4
171.11349	4.8
173.05984	8.7
173.09576	6.3
174.06749	2.4
174.17012	2.1
175.07545	4.7
175.11887	4.1
177.09082	10.4
178.07814	10.2
179.06993	8.3
179.08534	13.6
179.10651	4.7
181.06464	8.7
181.10030	3.8
182.07286	7.5
183.08032	6.9
183.11356	3.6
185.05978	4.7
185.09601	7.0
187.03905	3.9
187.07568	7.5
187.11226	9.8
189.12346	3.8
191.08630	3.4
192.09319	3.2
193.08623	6.5
195.08063	4.9
196.08691	3.5
197.05966	2.7
197.09619	28.0
197.11711	11.4
198.06877	2.1
199.07539	2.7
199.11282	5.3
200.14001	2.7
201.09079	3.0
203.08568	2.4
205.08517	4.1
207.08090	2.8
209.09656	4.8
211.07623	4.8
211.11128	5.3
212.09142	2.8
213.09183	4.9
213.12328	19.4
215.08755	1.6
215.10654	41.4
217.13373	13.4
219.08063	2.7
221.09543	3.5
225.09154	3.7
226.09909	2.4
227.10614	4.1
228.13443	6.1
229.11880	5.4
237.09090	2.8
239.10640	4.5
240.11266	2.4
243.10059	2.6
245.12875	8.5
246.14392	4.5
253.12120	2.4
257.11652	2.3
263.14212	2.5
269.11755	2.7
299.12793	3.0
311.12518	2.6
313.10501	2.8
315.12289	6.2
327.08606	2.6
341.13916	11.2
359.14859	100.0
359.23914	7.1
360.15134	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	359.1487
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
55.01869	2.5
55.05509	3.2
65.03951	2.6
65.69453	1.5
67.05504	4.0
69.03440	2.7
69.07083	2.8
70.06579	1.7
70.56339	2.6
70.56638	2.2
71.05015	3.3
72.08161	2.8
73.10120	1.6
79.05494	7.1
81.03426	2.9
81.07050	6.1
83.05003	3.0
84.08156	3.4
85.02911	5.5
85.06603	2.0
91.05480	21.1
93.07061	5.9
94.04173	2.6
95.04977	5.0
95.08624	4.8
97.02887	2.0
103.05479	15.8
105.03413	1.7
105.07028	13.4
106.46745	1.7
107.04950	8.0
107.08624	2.9
109.06525	7.0
109.10196	3.0
111.08116	1.8
115.05461	4.1
117.07034	2.3
118.04239	1.9
119.04943	23.6
119.08638	3.8
121.06516	6.2
122.03665	6.0
123.08092	4.0
127.03957	1.9
128.06235	2.5
129.06990	2.7
131.04941	26.1
131.08575	2.6
133.02896	2.7
133.06482	7.0
133.10167	2.2
135.04436	2.4
137.05977	100.0
138.06303	3.1
144.05675	2.1
145.06496	2.7
147.04407	15.2
147.08092	2.8
149.05977	14.4
151.07539	11.1
157.06393	1.9
159.08092	5.1
160.05179	2.7
161.05994	23.8
161.13173	2.5
162.06783	7.6
163.07550	8.3
167.07008	3.9
171.11899	1.7
172.05168	3.2
175.07559	20.9
177.08939	1.8
178.07739	1.8
179.07024	7.7
179.08490	3.4
179.14384	1.8
184.40564	1.7
187.07542	15.3
191.08629	6.4
193.08655	5.9
195.07889	2.0
197.07193	2.3
203.08591	3.4
205.08665	9.8
218.07291	2.3
219.08084	6.1
225.09120	1.9
231.08015	5.2
233.06108	2.2
235.07675	2.7
239.06906	2.0
240.07907	2.7
247.07559	2.3
248.08273	3.2
251.10818	5.0
253.08711	1.8
263.10651	1.8
265.08585	2.5
268.07285	3.2
279.10178	4.9
281.08090	2.5
285.11108	2.2
291.10284	4.3
296.10461	4.1
299.09216	4.2
309.11279	5.8
311.12827	3.0
313.10800	2.9
313.14359	2.6
327.08667	2.0
341.10220	3.3
359.14835	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	359.1489
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.15321	1.8
51.47800	1.9
53.03939	2.9
55.01862	2.5
55.92786	1.7
57.03439	5.7
65.03945	4.4
67.05499	2.4
69.03427	3.3
69.10340	10.1
69.10768	6.8
70.06596	4.5
79.05500	5.0
81.07059	4.0
84.08132	3.0
86.09710	4.0
91.05477	27.7
93.03407	3.7
93.07057	4.3
94.04214	5.1
95.04972	2.7
95.08591	2.2
98.11079	1.9
103.05460	7.7
105.03397	4.1
105.07052	14.1
107.04977	8.5
107.08591	4.5
109.02848	1.7
109.06516	6.2
109.10113	2.3
111.04423	4.2
115.05482	6.2
117.07009	4.2
119.04948	24.1
119.08576	2.7
121.06518	6.9
121.10056	2.0
122.03680	8.6
123.08063	2.3
129.07016	2.7
129.10260	3.1
131.04922	6.1
132.05672	2.1
133.06517	7.4
135.04410	3.8
137.05978	100.0
138.06332	2.8
139.07509	2.1
143.04950	3.8
144.05713	2.7
145.06496	5.5
146.07249	2.1
147.04407	17.4
147.08057	3.2
149.05974	13.2
150.06776	3.9
151.03918	4.5
151.07553	10.6
153.07019	2.8
154.07852	2.4
157.06421	2.3
157.10217	2.7
159.08084	7.3
160.05226	2.0
161.05980	22.6
162.06723	7.9
163.07544	2.9
165.06963	3.9
165.12666	2.1
167.07068	6.1
171.08046	1.9
172.05124	2.6
175.07585	16.6
179.07101	9.9
179.08507	2.8
181.04938	1.9
187.07562	15.5
188.74698	1.9
189.09071	3.6
190.07790	2.8
191.08597	5.1
193.08553	9.6
197.09564	2.7
203.08591	3.5
205.06665	3.5
205.08557	16.4
219.08067	9.8
223.07523	2.3
227.07124	2.5
231.08038	4.8
235.07556	2.8
237.09241	2.3
247.07591	4.0
248.08258	3.1
251.10725	5.5
253.08664	3.2
255.06938	2.4
263.10699	3.1
265.08649	3.5
279.10135	3.4
281.08087	2.9
291.10114	3.4
296.10394	5.9
297.11383	3.7
309.11237	7.8
311.12766	3.7
323.12952	3.1
341.13745	3.6
359.10934	9.3
359.15121	9.5
359.23901	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	359.149
Annotation	Jamesoniellide E
Peak:m/z	Relative Intensity
53.03951	2.1
55.01863	3.0
55.05506	1.3
56.71424	1.1
62.33014	1.2
67.05509	2.2
69.03428	3.1
69.07051	3.7
69.14671	6.4
69.15089	4.4
70.06596	7.9
71.04991	7.0
72.08160	1.6
77.26756	1.3
78.04714	3.0
79.05488	9.7
81.07032	1.7
83.04967	1.3
84.08151	5.1
85.02925	2.1
86.09711	59.6
86.10241	2.9
87.05580	3.2
87.10061	1.7
88.03992	1.5
91.05479	6.6
93.07077	1.7
94.67693	1.2
95.04983	2.9
95.08591	2.1
96.08102	1.7
97.02860	1.9
97.06499	1.4
98.02412	3.6
103.05492	10.5
105.07038	35.3
106.04182	1.9
107.04974	8.3
109.02818	1.2
109.10166	1.2
110.02437	2.2
111.04456	1.3
113.10760	2.0
115.05462	10.2
117.07044	3.4
118.04201	1.5
119.04897	2.9
119.08553	2.2
121.06541	3.5
123.04454	8.0
124.05202	2.6
125.06009	1.6
128.11142	1.2
129.07039	3.1
129.10222	3.0
130.04201	2.0
131.04945	8.4
131.08565	1.9
132.05640	1.8
132.10248	3.5
133.06500	31.4
134.06844	1.8
135.04355	1.2
137.05971	11.9
138.09131	3.9
141.06999	5.1
141.10231	5.8
143.11812	5.1
144.05737	1.5
145.06525	11.2
147.04457	6.5
149.05991	6.3
151.03934	3.5
151.07529	3.1
151.11127	1.3
152.04657	2.1
155.11786	8.4
159.04399	1.9
159.08102	3.7
161.05984	100.0
162.06456	4.0
163.07564	2.5
166.08632	2.0
167.07047	94.1
168.07394	4.7
169.06465	6.1
171.11392	2.5
173.05992	20.0
174.06631	2.0
175.07568	6.7
176.04695	1.5
176.08327	1.4
178.06268	2.3
178.07745	2.0
179.07042	2.9
181.08600	1.9
183.11244	6.1
187.03940	3.9
187.07567	13.7
188.08226	1.3
189.12415	1.7
191.07045	15.8
191.08615	1.2
193.08607	41.4
194.08911	1.6
200.13957	29.3
201.12599	1.4
202.07805	4.7
203.08505	6.3
205.06604	1.4
206.07214	2.2
207.07982	1.9
219.08009	1.6
220.08849	3.0
221.09589	4.1
223.07538	2.5
228.13496	6.8
231.08032	9.8
232.08447	1.4
234.06775	1.8
237.09114	1.6
238.09821	1.6
247.07347	1.5
248.08318	3.3
249.09137	9.1
251.10620	1.6
253.08507	1.5
259.07578	6.0
262.09949	1.8
263.10641	4.8
265.08594	3.0
266.09317	2.1
267.10007	1.8
276.07849	1.9
277.08542	13.4
278.08871	1.2
278.79727	1.5
279.06644	1.4
281.11673	3.6
283.09464	1.5
291.09982	3.3
292.10950	1.5
294.08832	2.9
295.09583	1.5
308.10538	1.9
309.11157	19.1
310.11407	2.0
311.09222	2.5
313.10825	1.7
317.32016	1.3
323.12711	9.4
324.12924	2.0
326.06879	1.4
327.12115	1.7
341.13852	60.3
342.14145	5.2
359.10922	1.6
359.15173	5.1
359.23990	5.0
360.14899	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Jamesoniellide E
Peak:m/z	Relative Intensity
53.03962	1.8
55.01873	4.1
65.03941	1.7
65.40961	1.3
67.05497	2.0
67.24632	1.2
68.43638	1.2
68.99822	1.4
69.03434	3.2
69.07142	13.2
70.02950	2.3
70.06599	8.4
71.05004	8.5
72.04547	1.8
72.08161	3.8
78.04731	3.8
79.05505	8.3
79.05931	1.2
81.03427	2.4
81.07056	2.1
82.19924	1.3
84.08147	8.9
85.02911	3.1
86.09710	64.0
87.05601	4.0
88.03998	2.2
91.05478	8.7
93.07066	2.6
95.04951	4.3
95.08626	2.7
96.04501	1.3
96.08120	1.9
97.06531	2.0
98.02438	3.2
103.05466	8.1
105.03394	2.7
105.07047	33.0
106.04198	2.0
107.04971	9.6
107.08611	1.9
110.02469	1.7
113.10780	1.5
115.05473	8.3
116.07080	1.4
117.07055	3.8
118.04166	1.4
119.04952	4.0
119.08605	2.3
121.06489	3.9
123.04439	8.2
124.05230	4.0
129.06992	1.9
129.10257	3.8
130.04202	2.0
131.04947	11.3
131.08607	3.0
132.05740	1.5
132.10217	4.2
133.06496	29.0
135.08118	2.3
137.06001	13.4
138.09172	4.7
141.06990	5.9
141.10257	6.9
143.04953	2.6
143.11812	5.8
145.06496	11.7
147.04395	7.9
147.08022	2.0
147.11378	1.8
149.06004	6.0
151.03880	4.0
152.04698	2.9
152.40407	1.4
153.05440	1.6
155.11826	8.7
159.04396	1.7
159.08101	2.8
160.05240	1.8
161.05989	97.2
162.06525	4.4
163.07567	4.3
164.30598	1.7
165.06999	3.0
167.07051	100.0
168.07381	3.8
169.06512	5.7
171.11266	1.7
173.05968	21.9
175.07524	3.9
175.11829	1.4
177.05542	1.8
179.07048	2.4
181.08647	1.9
183.11365	8.7
185.06004	2.5
187.03973	5.4
187.07545	15.3
189.12364	2.4
191.07027	15.5
192.07744	2.7
193.08614	44.4
194.08954	2.1
200.13947	34.4
201.12415	2.3
202.07829	4.3
203.08585	6.3
205.06531	1.8
206.07251	2.1
207.08102	3.0
211.07486	2.1
216.10455	2.0
218.07370	1.5
219.07953	2.6
220.08781	3.5
221.09744	2.7
223.07727	1.9
228.13533	5.6
231.08034	8.5
233.09671	1.6
234.06549	1.7
235.07532	2.1
235.11282	1.7
237.09097	1.7
247.07513	2.8
248.08229	2.2
249.09163	7.3
250.09816	1.8
259.07605	5.0
260.08096	2.4
262.09839	2.3
263.10669	5.0
265.08649	3.8
266.05588	1.7
266.09329	4.1
276.07809	1.6
277.08578	14.5
278.09183	2.5
279.10132	2.4
281.11792	4.0
291.10147	5.0
293.08084	1.8
294.08984	1.5
309.11212	19.4
310.11624	3.1
311.08951	2.1
323.12885	12.5
325.17407	1.9
326.11502	1.9
334.74515	1.3
341.09760	3.2
341.13831	59.1
342.14285	5.0
359.11072	2.1
359.14999	4.4
359.23605	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	359.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87359	1.1
55.01883	1.8
55.05507	2.5
56.05029	2.4
57.03425	1.2
60.04534	2.9
60.05633	1.4
61.02951	1.5
62.06087	2.1
67.05471	1.3
69.03422	2.8
69.07060	4.1
69.41020	5.7
70.06598	16.2
70.09982	1.2
71.05006	1.6
71.06931	2.2
72.08159	13.6
79.05455	1.1
81.03416	2.3
84.04519	2.3
84.08148	31.9
85.02911	7.5
86.09709	56.1
91.05466	3.0
94.06598	2.4
95.06076	1.3
97.02916	3.0
103.05453	2.9
105.07047	3.4
107.04955	16.5
109.02757	1.8
110.06032	1.3
112.08720	2.1
115.05443	1.7
115.08659	1.8
116.03471	1.2
116.07111	2.4
117.07063	2.5
119.08562	1.9
120.05707	4.5
120.08214	1.2
121.02930	1.1
121.06548	2.0
122.06033	4.4
124.07576	4.5
127.03913	3.2
129.06905	1.5
129.10242	24.0
130.04997	1.6
130.08690	7.0
131.04919	6.2
133.06532	6.7
134.06018	47.6
135.04405	2.0
136.07576	10.8
137.06000	3.4
137.08362	1.9
138.05511	3.0
139.03960	1.7
140.07086	10.5
143.11781	2.7
145.04895	1.5
145.06474	6.3
146.06012	1.5
147.04428	2.0
147.07968	4.5
147.11282	5.5
148.07541	3.3
149.05977	5.8
149.07121	8.2
150.05496	14.6
152.07072	100.0
153.07716	4.7
155.08228	1.2
157.06427	1.9
157.13330	1.7
160.07559	4.0
161.07121	4.6
162.07883	4.0
162.09134	1.4
163.03946	6.4
163.08646	8.1
165.06642	1.4
167.07036	1.7
168.06558	10.9
172.07564	5.2
174.09129	2.4
175.08696	4.9
175.11905	5.1
179.06827	6.1
180.01199	2.0
181.04993	4.6
183.14925	2.0
184.07524	2.1
185.16515	3.9
186.07974	2.1
187.08739	5.7
190.08745	1.7
191.08218	1.8
192.10236	16.5
193.09750	34.3
196.04170	1.2
197.07866	23.8
197.09663	1.7
198.02229	4.1
198.08244	1.5
199.08704	3.4
199.18066	8.1
203.05312	8.7
210.10030	12.5
211.10776	53.8
212.11177	1.8
214.97771	1.1
216.83342	1.1
217.10065	1.5
226.08612	3.1
227.17529	4.3
238.08707	2.3
246.14563	1.8
246.18019	1.4
261.91791	1.2
293.12851	9.0
295.14706	1.3
300.12988	1.8
311.13876	8.4
313.31757	1.4
323.13870	2.1
341.10812	2.4
341.14951	31.7
342.15359	3.5
342.21033	1.3
359.13025	74.8
359.16714	44.0
359.23862	10.3
359.27020	5.6
360.13403	5.4
360.17139	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	359.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.8
55.05514	0.7
60.05649	0.8
63.68951	0.5
67.05510	0.7
68.08492	0.5
69.03432	1.5
69.07066	0.7
69.86073	2.3
70.03805	0.5
70.06598	4.0
71.04987	1.4
72.08154	2.9
73.07766	0.5
79.05481	0.8
81.03440	0.9
81.07037	0.6
82.06600	0.5
83.06104	0.5
83.92999	0.5
84.08149	14.7
85.02919	3.7
86.09711	7.0
88.81160	0.6
91.05508	0.9
94.80949	0.6
97.02896	1.2
98.06038	0.6
98.97612	0.9
103.05490	0.7
105.07061	0.5
107.04965	1.6
109.02784	0.8
111.08054	0.8
112.08735	1.1
123.08092	0.6
126.05518	1.2
129.06999	0.9
129.10254	10.9
130.08638	0.7
131.04922	0.8
133.02837	0.7
134.06012	1.6
135.04373	1.0
137.02309	1.0
137.05995	1.9
145.05002	0.7
146.06052	0.7
147.04465	0.6
147.11314	0.9
149.06018	0.8
149.07166	0.9
150.05534	0.7
151.03841	0.7
152.07098	3.5
154.04976	1.4
161.06017	0.7
163.03922	1.0
167.07007	0.7
167.08260	0.8
175.11923	0.7
179.06793	4.8
185.04218	1.0
185.16611	0.7
192.10133	1.0
193.09726	0.8
197.07864	18.1
197.09674	1.2
203.05287	7.2
210.10010	1.0
211.10806	1.9
228.17029	0.6
261.87317	0.5
281.07846	0.6
341.14651	1.1
359.12997	57.1
359.16812	100.0
359.23987	2.9
360.13379	3.5
360.17084	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
54.56097	0.8
55.01869	2.3
55.05511	2.5
57.03424	1.8
58.65572	0.9
59.05006	1.0
61.02918	1.7
65.03937	1.1
67.05497	3.5
69.03428	6.5
69.05335	8.7
69.07070	1.7
70.06591	2.7
71.04987	1.7
72.08141	2.1
73.02916	2.0
79.05495	4.2
81.03410	3.5
81.07047	3.7
83.04972	1.0
84.08141	2.9
85.02905	16.5
85.06533	2.1
86.09713	8.6
88.08956	0.9
91.05457	7.4
93.07051	10.4
95.04968	4.1
95.08620	2.0
97.02891	3.6
97.06520	1.2
99.04465	1.4
99.08106	1.1
103.05511	1.2
105.07047	8.4
105.61602	1.0
107.04943	1.1
107.08589	21.7
109.02867	2.2
109.06544	1.9
109.10194	1.5
109.40368	1.0
111.08083	1.0
119.04896	1.0
119.08603	4.0
120.08099	3.2
121.06544	2.9
121.10139	0.9
123.04450	1.0
123.08047	1.7
125.09679	1.1
127.03927	3.0
128.06212	1.1
129.09206	1.8
129.10252	2.5
131.08598	1.4
133.06500	1.2
133.10132	17.5
135.08003	1.5
135.11702	22.1
137.05978	2.7
137.09622	2.5
138.09129	1.0
145.04962	3.3
151.03947	1.1
151.11165	1.4
153.06985	1.0
161.09616	11.4
169.10107	1.0
179.10648	34.6
179.14207	1.2
180.10954	1.1
187.10971	1.2
188.72125	1.1
197.11719	100.0
198.12018	5.0
250.98471	1.0
359.15414	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.71351	0.6
51.91489	0.6
53.03934	0.9
55.01866	0.7
55.05508	1.3
57.03420	0.8
59.05013	0.7
61.02922	1.9
67.05503	1.4
69.03416	3.0
69.07049	0.8
71.04980	1.1
71.29315	1.0
73.02887	1.0
79.05489	2.7
81.03407	1.9
81.07050	2.8
83.29429	0.6
85.02914	7.7
86.09698	4.8
87.04420	0.7
89.52993	0.6
91.05479	3.5
93.07042	6.5
95.08603	2.2
97.02908	2.1
97.06538	0.7
99.04439	1.2
102.27251	0.7
105.07037	8.6
107.08598	33.6
109.06491	0.9
109.10152	1.9
109.63648	0.6
119.04948	0.7
119.08583	4.5
121.06522	0.9
121.10154	7.2
123.08067	0.8
123.11720	1.1
125.13214	0.7
126.82172	0.6
127.03944	2.2
131.08578	1.4
133.06470	0.7
133.10136	18.5
135.11674	0.7
137.05963	4.1
137.09595	1.2
138.06331	1.3
139.07510	1.2
143.08553	1.2
145.04971	1.5
149.09644	2.7
151.07549	2.0
151.11195	7.7
161.09653	5.6
167.06972	0.9
167.10687	13.7
175.07549	0.7
179.07106	0.9
179.10681	16.7
180.11089	1.0
197.11739	100.0
198.12100	3.8
214.93169	0.7
215.76776	0.7
359.14142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06266	0.8
55.01878	2.3
55.05514	6.6
56.05031	4.4
57.03443	1.0
67.05512	1.2
68.05034	1.1
69.03439	3.0
69.07071	4.1
70.06598	9.6
71.05023	1.0
72.08159	77.3
73.08482	0.9
79.05524	1.6
81.03410	1.3
83.06107	52.7
84.04509	51.2
84.05026	1.8
84.08139	9.5
85.02907	10.8
85.06562	2.4
86.09709	100.0
86.25439	0.8
87.10056	2.2
91.05486	3.5
95.04961	2.6
96.04515	1.5
97.02907	2.3
98.23338	2.4
101.07141	8.4
102.05560	2.8
103.05480	9.1
105.07032	2.0
109.02863	0.9
109.06509	0.9
109.92782	0.8
110.06083	1.2
110.09693	2.0
112.08760	1.7
112.61748	1.0
113.07156	2.0
115.05476	1.6
116.07101	3.1
117.84740	0.7
118.08663	27.0
119.04959	1.6
119.06054	1.0
120.08131	1.7
121.02864	0.8
123.04441	0.9
127.03938	2.2
129.06593	9.5
129.10252	5.4
130.08620	1.1
131.04935	19.3
131.11806	1.6
132.10204	26.9
133.02878	1.7
133.06529	1.8
137.05978	10.9
138.09143	14.8
141.06665	3.6
143.11790	1.8
145.04996	2.1
146.39264	0.9
147.04384	2.1
147.11316	1.6
149.07133	2.5
151.03932	1.7
151.07594	1.6
152.10751	2.9
155.11787	6.7
157.13374	5.5
161.05965	2.4
163.07549	4.9
165.06740	1.2
169.13408	2.5
175.07541	2.4
175.10805	2.5
175.12086	1.1
177.09241	1.4
179.07062	1.7
179.08507	0.9
181.06477	1.0
182.12901	25.3
183.11314	26.3
183.12889	1.0
184.11606	1.1
185.12892	3.2
185.16586	1.5
187.03915	1.6
189.12445	0.8
196.14450	20.8
197.09494	1.1
197.12984	15.0
199.18117	1.4
200.13953	11.4
201.12367	2.1
203.07066	1.1
210.12384	10.4
211.10759	5.1
214.15506	6.8
215.13875	5.7
216.14143	0.9
224.13965	8.0
225.09004	1.4
225.12309	4.8
228.13446	7.3
231.17038	1.8
242.15002	4.7
247.07658	1.0
254.13298	1.4
254.59383	0.9
268.08002	1.0
299.12683	1.2
311.09192	1.0
341.14456	1.0
341.21841	25.0
341.26010	1.3
342.21317	1.5
359.07855	1.2
359.17014	17.5
359.23233	6.0
360.17020	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.2
57.03436	10.0
57.06796	5.3
57.07076	100.0
67.05503	29.8
69.07064	22.8
69.19761	33.6
71.08630	68.0
81.07055	41.7
83.08622	29.3
85.10178	40.3
93.07026	6.4
95.08622	59.0
97.10152	25.7
107.08624	5.3
109.10174	35.4
111.11700	12.0
121.10137	4.7
123.11735	9.2
137.13222	4.8
139.87044	4.4
267.26944	12.5
341.30469	67.1
359.37039	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01875	0.9
55.14641	0.7
65.03922	1.8
69.03412	2.6
70.06590	3.9
71.04997	1.5
72.08134	1.5
73.02925	0.8
73.70718	0.6
77.03973	0.7
79.05483	1.7
81.03436	1.2
81.07036	1.5
81.54381	0.7
84.08133	1.8
85.02454	0.9
85.02913	5.7
85.75984	0.6
86.09694	11.4
87.10039	1.6
90.77939	0.8
91.05472	3.1
93.07052	1.1
95.04993	1.2
95.08614	1.0
97.02886	1.4
97.06538	1.0
103.05437	0.7
105.03393	0.8
105.07059	1.3
107.04919	1.0
107.08540	0.7
115.05459	1.0
117.06956	1.3
120.08080	1.7
121.02862	2.6
121.06499	0.9
123.08079	0.9
127.03913	1.7
129.07024	0.9
129.10236	1.7
132.10176	1.1
133.02844	3.1
133.06520	0.8
135.04401	3.1
137.05934	3.7
138.06317	1.2
141.10315	0.7
145.04947	1.1
147.04420	1.4
149.02338	100.0
150.02678	3.5
155.08574	0.8
163.03900	68.4
163.07535	1.8
164.04213	2.1
165.05547	0.9
167.03401	1.0
167.07097	0.9
180.08746	0.9
181.04953	25.3
183.11365	1.4
200.13919	2.6
201.12347	1.0
201.14284	1.9
204.54474	0.7
211.10995	0.9
213.12357	1.1
228.13348	1.4
360.16736	3.1
361.08801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01868	3.1
56.05047	2.7
57.03439	5.9
61.02927	9.6
65.03948	2.9
69.03437	17.2
69.07079	6.5
70.06586	12.7
70.61246	5.1
71.04999	2.5
72.08155	8.9
73.02907	6.4
80.05047	2.1
81.03427	9.5
81.07047	2.0
84.08157	17.9
85.02911	92.3
86.03264	2.5
86.09708	100.0
87.04482	3.1
87.10046	11.2
91.03947	3.3
91.05501	2.9
93.03405	5.8
97.02904	29.9
99.04452	4.1
107.04983	5.6
109.02881	6.9
110.07139	2.5
111.04457	23.2
117.03374	2.4
120.04462	2.0
125.16927	1.8
127.03938	18.3
129.10226	17.6
133.02785	2.3
133.06120	6.6
135.04428	36.1
137.05992	9.2
139.03906	63.6
145.02824	2.8
145.04985	33.6
145.06155	3.7
147.11374	3.3
149.06009	2.7
163.03944	25.0
163.06044	4.6
164.03413	2.6
166.05019	7.7
177.05447	5.0
180.06587	2.7
180.08681	7.9
181.04971	73.2
185.07765	2.6
189.63333	2.0
198.07535	4.0
199.18054	22.2
200.18428	5.5
227.17619	10.3
228.17697	3.0
247.12766	2.6
360.10474	4.3
360.15292	2.2
361.11102	12.0
361.14511	3.7
377.73499	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01860	0.8
56.05024	0.7
57.03440	0.5
61.02927	1.9
69.03430	3.0
69.07088	0.9
69.73694	2.0
70.06605	2.7
70.14092	0.4
72.08151	6.7
73.02914	1.5
73.08475	0.4
79.05502	1.6
81.03415	1.3
83.06092	1.3
84.04502	2.7
84.08147	1.6
85.02907	13.2
86.09715	12.2
86.67621	0.5
87.10040	1.1
88.94866	0.6
89.03934	4.3
91.03984	0.7
91.04527	0.6
91.05486	0.9
97.02895	3.9
99.04478	0.7
103.05476	1.2
107.04939	2.7
109.02867	1.2
115.05453	0.6
116.07046	0.5
117.03386	6.7
118.08675	1.2
119.04956	0.9
120.08143	0.6
121.71674	0.4
127.03938	2.4
129.06598	1.0
129.10242	1.4
130.08627	0.5
131.04941	1.8
132.10201	1.1
133.02884	0.6
135.04425	15.1
137.05991	1.7
139.03902	1.2
143.11757	0.7
145.02864	12.6
145.04887	3.0
147.04431	0.8
149.05986	1.1
150.06767	0.6
155.32532	0.6
163.03912	100.0
164.04269	2.4
165.07175	0.7
179.07065	0.9
180.08716	0.7
181.04965	34.1
182.05296	0.9
182.12808	1.0
183.11327	1.0
185.16554	0.9
197.12840	1.3
199.09314	0.6
199.17841	0.8
200.14046	0.6
203.05154	0.5
207.06682	0.5
210.12459	0.6
215.13942	1.0
223.07465	0.5
239.06982	0.8
285.07571	0.7
311.18054	0.5
329.10190	0.9
342.21906	0.5
360.17010	1.4
361.14075	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
55.01873	26.4
56.07290	2.5
56.49990	2.7
57.03430	5.3
61.02935	4.4
61.62440	2.7
62.78308	3.0
67.05511	5.9
69.03427	15.5
71.04992	8.7
72.08154	4.8
73.02911	4.5
79.05497	25.7
81.03422	11.4
81.07077	4.6
83.04996	3.8
85.02904	55.2
86.09708	48.2
88.04008	4.0
91.03963	3.7
91.05478	40.8
92.05795	2.7
93.07040	21.2
95.04976	8.4
95.16840	2.7
97.02898	7.8
97.06545	3.0
98.02456	3.6
99.04429	3.6
100.03972	3.0
103.05473	26.1
104.73135	2.7
105.07048	11.5
106.11188	2.6
107.04961	23.0
107.08588	9.4
109.02866	7.5
115.05470	35.1
117.07018	53.9
119.08596	3.4
121.06512	75.1
122.06887	4.1
127.03925	9.0
128.06239	6.2
129.07011	5.6
131.08546	3.5
133.06490	3.7
135.08044	25.3
137.06021	4.0
138.09155	5.1
141.10255	6.4
145.04982	11.0
145.06519	5.0
156.10255	3.7
163.06209	3.7
163.07529	100.0
164.08015	4.0
167.07019	3.2
201.12372	53.8
229.11922	6.8
281.97696	3.4
295.94656	3.0
360.15149	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	360.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.30287	2.1
66.38024	2.3
69.03423	5.7
69.07070	6.8
69.33390	4.3
69.33700	16.0
69.83989	2.4
70.06593	10.9
72.08153	14.4
73.02902	4.7
74.06096	2.8
79.05480	3.6
81.03422	3.6
84.04509	5.4
84.08141	7.5
85.02912	18.7
86.09710	100.0
87.10057	6.9
89.03951	4.6
91.05492	5.4
97.02889	5.8
98.22609	4.8
103.05462	41.7
115.54655	2.4
117.03389	9.3
119.04987	3.6
127.03936	9.4
129.10199	4.2
131.04933	95.5
132.05286	5.5
135.04407	12.5
137.06000	6.2
145.02873	14.6
145.04971	3.5
147.04407	4.0
149.05995	3.0
157.13417	2.9
163.03914	83.7
163.07550	30.7
164.04327	5.4
174.24313	2.3
177.05519	9.2
181.04968	33.6
181.06442	3.8
199.18127	20.7
227.17473	5.8
247.13008	5.5
285.07706	2.8
360.17004	8.5
360.23730	3.2
361.14209	4.8
361.18250	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.05509	3.0
55.72461	1.1
56.05027	1.5
59.78835	1.2
67.05492	2.2
69.03421	5.3
69.07065	3.5
69.65069	2.8
69.65468	3.0
70.06585	6.1
71.04967	1.6
72.08157	27.0
73.08476	1.7
77.03954	1.1
81.03413	2.0
83.06097	3.2
84.04514	12.9
84.08138	2.8
85.02921	9.4
86.09708	40.5
87.10052	3.7
91.05467	1.3
93.07062	1.2
97.02882	4.0
98.23320	1.5
99.04449	1.3
102.05576	6.1
103.05475	38.3
107.08559	1.4
110.95226	1.1
118.08667	5.5
120.08104	3.2
124.07590	2.5
129.06656	1.8
131.04932	100.0
132.05247	4.2
132.10220	6.6
137.05974	3.1
138.09154	3.1
145.04961	2.9
151.03951	1.4
155.53163	1.3
156.10210	2.2
163.07541	28.7
183.11325	6.5
183.12970	1.2
185.16534	5.1
197.12840	3.0
198.11258	2.5
199.18068	2.9
201.12334	8.4
211.10744	1.5
213.16029	1.4
215.13885	3.9
229.11710	2.1
276.82684	1.2
281.87732	1.2
329.12122	2.9
342.22061	2.8
360.16895	5.2
361.14343	3.3
361.18277	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	360.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01874	8.3
55.05502	1.3
57.03436	1.2
67.05515	1.7
69.03419	3.4
69.07049	3.1
70.06600	1.9
71.05000	1.7
72.85458	1.4
73.02915	5.6
77.40624	1.2
78.92837	1.3
79.05495	8.7
81.03428	1.5
81.07037	1.8
83.04987	7.7
84.08145	2.1
85.02887	6.7
85.04014	3.0
86.09708	90.3
87.10020	2.5
87.20844	1.6
88.03989	12.2
91.05479	13.1
93.07043	3.7
94.04172	1.4
95.04958	3.7
96.08144	3.9
98.02411	3.8
100.03984	5.0
100.11282	1.9
100.19297	1.3
102.04694	4.3
103.05466	7.8
105.07028	3.6
106.07372	1.5
107.04963	10.5
109.02859	3.5
110.09676	1.8
111.04412	2.2
113.10744	3.1
115.05455	4.1
116.05763	1.8
117.07030	7.2
119.04951	5.3
119.08589	2.3
121.02863	1.9
121.06512	8.6
122.03609	1.9
123.04440	1.7
124.05205	1.3
125.05983	2.1
127.03899	2.4
129.06972	2.2
130.04124	9.8
131.04926	6.4
131.08556	2.0
132.10188	6.7
133.06541	1.6
134.06851	1.6
135.04424	8.8
135.08031	2.7
137.05978	28.2
138.06323	14.2
138.09149	8.0
139.03867	1.5
141.10228	12.2
147.04425	18.1
147.05495	1.9
149.06004	5.1
150.06718	1.8
153.05486	6.7
155.11778	1.8
156.10208	14.0
161.05995	5.8
162.06772	39.7
163.03879	3.6
163.07559	15.4
165.07028	1.5
167.07123	6.4
168.07364	2.0
175.07535	4.4
176.07898	5.3
177.05437	1.4
179.06963	1.7
181.05006	2.6
183.11298	6.4
184.09673	3.4
188.07942	1.6
193.08629	1.5
194.08922	1.5
195.07947	1.3
201.12349	100.0
201.99382	1.3
202.12701	3.0
220.08549	2.4
229.11823	14.5
245.18625	1.4
360.25320	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	360.2127
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.01876	1.4
55.05506	3.9
55.67255	0.9
56.05031	4.2
57.03429	1.7
64.79440	1.0
67.05498	1.1
69.03423	1.8
69.07070	2.8
70.06587	4.8
71.04982	1.9
71.31261	1.2
72.08156	74.7
73.08502	2.1
79.05525	1.5
81.03407	1.8
84.04502	46.2
84.08147	1.2
85.02905	3.8
86.09705	100.0
87.10048	3.6
91.05492	1.6
93.07056	1.2
96.04491	1.9
96.08114	1.1
97.02896	1.2
102.05550	22.3
105.07092	1.6
111.04485	1.0
113.07103	1.9
116.07153	1.2
118.08649	42.0
124.07598	4.4
126.55621	0.9
127.03921	1.1
128.06261	1.3
129.06519	5.6
129.10248	0.9
132.10208	15.7
132.11159	1.6
137.06023	1.2
138.09129	5.0
141.06673	3.4
152.10683	2.2
154.04855	1.0
155.11777	1.9
156.09015	1.5
156.10226	3.4
170.10472	1.0
170.11696	4.8
183.11279	16.8
185.16550	2.4
197.12872	25.0
198.11348	4.0
201.12357	13.5
203.96259	0.8
205.10527	0.9
211.10837	3.3
212.11237	1.2
213.15982	1.2
215.13907	38.5
216.14240	1.8
225.12314	7.9
229.11861	4.9
231.17055	4.2
243.13396	10.9
287.61957	1.0
360.11157	1.0
360.15836	4.8
361.08963	2.2
361.18143	2.8
363.45132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
53.03932	0.4
55.01886	0.6
55.05512	0.4
56.05030	0.7
57.03436	0.7
61.02929	1.7
65.03942	0.5
69.03435	2.7
69.07075	5.6
69.31878	1.7
70.06593	2.2
71.05017	0.5
72.08154	5.1
72.88802	0.3
73.02913	1.0
73.08493	0.4
79.05482	0.6
81.03427	0.9
84.04504	1.3
84.04971	0.3
84.08139	1.9
85.02908	13.1
86.09708	100.0
87.09566	0.5
87.10039	2.7
87.49193	0.3
89.03939	0.9
91.03947	1.0
91.05482	0.8
93.03413	0.8
97.02883	4.0
99.04463	0.9
99.21429	0.4
103.05449	1.9
107.04977	1.2
109.02903	1.5
110.07161	0.5
111.04437	2.5
115.05460	0.3
116.07117	0.3
117.03381	1.2
119.04929	0.6
120.08083	0.4
123.04422	0.3
126.05534	0.4
127.03934	3.4
129.10262	1.1
131.04935	5.7
132.05298	0.4
134.04474	0.6
135.04437	5.1
136.04829	0.5
137.05992	1.1
139.03912	7.0
140.39574	0.3
144.06555	0.8
145.02876	2.5
145.04974	3.8
147.04451	0.5
154.04967	0.6
162.07671	0.9
163.03917	19.2
163.06065	0.6
163.07465	1.8
164.04350	0.9
171.14975	1.2
177.05475	1.2
177.09125	0.9
180.08708	1.1
181.04964	14.2
182.05301	0.9
188.94934	0.3
198.02130	0.4
199.18066	25.2
200.18456	0.8
207.06552	0.6
223.07515	1.0
227.17560	9.3
228.17841	0.6
247.12883	7.0
285.07620	0.4
297.07581	0.5
360.13797	1.6
360.17389	0.7
360.24057	0.4
361.14169	0.5
361.18103	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	360.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	54.0
57.03396	15.0
59.04998	30.9
67.05505	76.0
69.03417	15.8
69.07076	100.0
70.06577	14.3
71.04993	62.8
79.05500	64.7
81.03427	24.4
81.07052	65.0
83.04982	30.3
83.08616	24.0
85.02906	16.8
85.06528	16.3
91.05486	60.3
93.07055	47.4
95.04992	26.9
95.08620	48.5
97.06520	45.8
97.10175	44.3
105.07043	20.4
107.04913	17.7
107.08600	33.7
109.06495	16.1
109.10193	24.5
111.08129	16.5
115.07561	22.2
119.08614	18.9
121.10149	24.8
125.09632	38.1
131.08611	24.7
133.10112	20.1
161.09679	28.9
173.11772	21.8
183.98804	14.2
189.11153	18.9
361.19943	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53666	8.4
79.05510	12.5
81.07054	12.0
84.08134	10.0
88.53569	9.5
91.05495	13.1
136.60451	9.6
162.37312	9.7
167.07071	100.0
174.87967	9.9
179.06976	12.5
180.12794	10.0
181.04924	11.6
273.11783	9.7
275.20432	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61655	15.8
52.13624	16.3
52.43786	15.6
55.05511	32.7
67.05505	79.0
69.07054	28.0
69.51951	49.4
69.52367	52.5
71.04990	90.9
79.05518	100.0
79.78474	16.6
81.07069	57.1
81.28341	22.9
83.08604	23.6
86.26183	21.2
89.64575	17.9
91.05494	51.8
93.07044	79.3
97.10166	24.9
105.07015	27.9
107.08598	60.8
109.10161	60.4
121.10128	64.2
125.09735	18.9
130.57393	19.1
173.11731	64.5
275.19931	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	360.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86093	0.8
51.26068	0.8
55.01870	2.7
55.05515	8.1
57.07071	3.5
67.05499	4.6
69.07063	4.1
69.10429	1.8
69.10828	6.7
70.06596	40.0
70.59992	0.8
71.04998	1.1
71.06898	1.0
71.08618	4.5
72.08160	100.0
73.08485	1.8
73.31946	1.0
79.05484	3.7
79.24030	1.0
81.07061	6.8
83.08645	1.3
91.05480	4.0
93.07038	5.0
95.04986	6.1
95.08612	6.5
98.06058	26.2
98.23354	2.1
99.08078	1.8
105.07034	3.8
107.08571	4.2
109.06533	8.7
109.10146	2.5
118.85081	0.9
119.08585	3.1
121.06480	1.6
121.10140	2.6
123.08054	1.4
126.09155	1.6
131.08583	2.1
133.10104	4.1
136.08386	0.8
140.10684	6.3
141.37920	0.8
145.10100	0.9
147.11752	0.9
149.09648	1.4
154.12268	2.5
157.10149	1.1
159.11687	2.0
165.12770	33.2
168.13799	1.4
173.13286	2.6
182.15363	0.8
191.14331	1.3
201.12645	1.0
208.16963	6.6
210.14943	1.4
210.18488	1.0
238.18056	4.1
246.18550	4.6
262.21689	16.7
271.20624	1.9
289.21655	1.2
298.31036	0.9
342.27869	4.0
347.93353	1.0
360.28952	25.7
361.19659	1.1
361.23843	1.5
361.29172	4.1
367.88501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1105
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
51.44721	0.7
53.11802	0.6
55.60058	0.7
69.11179	6.2
70.06589	1.4
72.08158	2.3
74.06076	1.5
80.72411	0.6
81.62976	0.6
84.04494	1.5
84.08146	6.5
85.02898	2.2
85.08472	1.1
86.09715	3.8
111.04437	1.2
113.05750	1.4
123.04381	0.8
129.10240	4.9
129.32938	0.7
130.10616	0.9
132.10239	0.9
137.05965	1.3
182.08073	1.0
182.47636	0.7
185.07829	1.4
199.09441	1.4
275.10986	9.2
280.74066	0.7
299.10953	1.3
317.12064	46.6
318.12399	2.1
343.12955	0.7
361.11002	100.0
361.14670	8.2
362.11292	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	361.1129
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03952	3.9
53.35045	2.0
55.05500	6.0
56.05036	6.8
58.93793	2.0
60.04508	2.4
60.05651	2.3
60.72762	2.1
69.03408	2.3
69.03886	14.1
69.04298	5.0
70.06596	12.9
72.07753	3.4
72.08154	53.3
73.08475	7.1
74.06081	23.7
75.06436	2.1
78.28063	2.3
81.79030	2.2
83.06097	13.5
84.04504	14.1
84.08149	22.3
85.02914	2.7
86.09708	100.0
87.10027	11.7
95.04963	11.8
98.22621	4.6
101.07146	4.5
102.05547	2.5
112.07584	2.8
119.08194	12.1
123.04433	7.9
125.02345	4.0
127.03935	2.5
129.10251	14.4
132.10214	12.5
140.04683	46.8
140.07045	10.2
147.11298	3.0
148.06070	5.9
155.07036	15.0
159.11247	4.1
164.04253	4.3
175.10680	3.8
175.12033	2.8
181.04890	5.2
184.10789	5.6
185.09119	2.5
185.16484	14.0
186.16788	12.9
187.14522	5.3
189.12361	5.4
195.07672	3.9
197.12947	3.5
199.05971	25.4
212.10280	5.9
213.16010	5.0
214.16255	5.9
230.11301	11.0
262.14731	4.1
262.34796	2.0
334.28555	2.6
335.95605	2.1
343.19708	7.2
361.10809	8.8
361.15057	14.8
361.19122	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	361.1491
Annotation	Stansioside
Peak:m/z	Relative Intensity
55.76010	3.8
56.05029	4.7
60.04531	5.1
67.19923	3.9
70.06593	12.3
70.80498	10.4
72.08157	9.2
74.06097	4.9
77.31419	4.1
79.05498	11.3
81.03414	6.3
83.60879	4.3
84.00971	4.1
84.04524	9.2
84.08146	18.1
85.02903	13.4
86.03274	5.8
86.09702	49.6
87.10034	13.4
91.05471	9.4
93.07036	16.5
103.05504	8.1
105.07078	4.0
107.04967	6.4
111.08121	4.6
121.06508	20.2
123.08064	8.3
127.03955	6.6
129.10252	14.5
135.04448	9.1
137.06009	22.4
139.07547	15.2
144.06555	7.3
147.04425	9.4
149.06015	6.8
153.09985	4.6
161.09314	7.3
163.03944	9.7
164.04204	7.7
165.09154	14.0
167.07051	100.0
178.89653	4.3
181.04956	10.9
182.05338	6.2
199.09663	20.1
200.18520	8.3
207.06592	8.0
343.12112	5.1
347.32516	4.7
361.13770	25.7
361.18121	9.4
362.12808	5.3
367.13852	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1644
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.03961	7.0
53.04163	1.8
55.01869	9.4
55.05515	6.0
57.03430	8.4
61.02916	2.3
63.02400	1.2
65.03947	7.3
67.05516	9.9
68.99782	3.5
69.03431	54.3
69.07051	3.9
71.01351	5.9
71.04996	33.2
71.30386	1.1
71.30756	1.4
73.02911	4.3
79.05495	15.7
81.03417	15.2
81.07044	6.9
82.07178	1.2
83.01340	1.7
83.04969	5.0
85.02911	15.5
85.06548	2.7
87.04467	2.3
91.05486	31.0
93.03410	27.4
93.07031	5.7
95.04964	8.6
95.08580	4.4
97.02905	10.6
97.06516	4.2
99.04464	4.3
101.02356	1.2
103.03934	2.6
103.05459	5.3
105.03372	2.9
105.04496	2.1
105.07033	18.5
107.04966	7.0
107.08588	4.7
109.02875	4.2
109.06535	2.1
109.10281	1.3
111.04462	5.0
115.05457	14.4
116.06219	2.4
117.07024	14.5
119.04936	3.6
119.08612	9.7
121.02862	1.8
121.06503	15.1
123.04449	2.1
123.08096	2.8
125.06013	1.6
127.03907	6.5
127.05421	1.6
128.06227	24.6
129.07024	24.1
130.07742	2.5
131.04904	4.7
131.08562	11.8
132.05716	1.9
133.06487	7.9
133.10139	2.2
135.04384	3.0
135.08061	12.3
137.05949	2.7
141.06996	14.9
142.07785	11.4
143.05017	1.8
143.08554	19.6
144.05626	2.0
145.06483	17.2
145.10153	6.4
147.04474	1.1
147.08063	17.0
147.11668	1.8
149.06012	2.0
149.09650	2.2
151.07544	3.1
152.06186	4.4
153.07010	9.3
154.07747	5.0
155.06030	2.8
155.08566	12.6
156.09320	4.3
156.22614	1.2
157.06465	9.2
157.10126	8.2
158.07281	9.5
159.08058	10.9
159.11642	2.7
160.08788	2.6
161.05972	5.6
161.09596	8.2
163.07523	5.4
165.07007	12.2
165.09174	1.6
166.07816	4.1
167.07231	2.1
167.08495	7.4
168.05658	1.5
168.09315	3.3
169.06458	5.8
169.10141	4.6
170.07233	3.3
171.08055	17.9
171.11688	5.4
172.08749	2.1
173.05951	4.8
173.09621	16.6
175.07571	7.7
175.11211	2.6
178.07835	2.0
179.07161	1.5
179.08562	4.9
180.09291	1.7
181.06497	2.7
181.08690	1.5
181.10068	5.9
182.07257	3.5
183.08072	7.5
183.11684	3.7
184.08815	7.0
185.06023	1.8
185.09659	9.5
185.34181	1.4
187.07581	5.8
187.11188	4.8
188.08363	1.9
189.09131	6.2
189.12729	6.1
191.06996	4.2
191.08566	2.7
193.10234	1.9
195.08054	4.1
195.11745	2.4
196.08762	2.7
196.11934	1.2
197.09624	5.7
198.06572	1.5
198.10423	1.4
199.07573	5.2
199.11186	31.2
200.08336	2.1
200.11678	2.7
201.09074	6.0
201.12779	5.3
209.09612	3.1
211.07610	2.4
211.11211	4.1
212.08101	1.9
213.09210	6.1
213.12762	4.1
214.09732	1.3
215.10730	3.7
216.11511	2.4
217.12242	28.3
218.12630	2.0
219.07947	1.4
219.13861	2.1
223.07536	2.0
223.11221	2.8
225.09113	2.3
225.12766	1.8
227.10594	3.2
229.12234	5.4
235.11104	1.4
237.09073	2.3
237.12956	1.8
239.10629	2.1
241.12251	6.6
243.13785	2.4
245.11713	2.2
249.51364	1.3
253.12286	3.3
255.13817	2.8
257.11765	1.7
259.13342	10.3
267.13800	1.5
271.13257	4.5
279.13776	2.3
283.13327	1.9
297.14844	1.8
301.14377	3.0
315.15964	1.7
325.14310	2.7
343.15463	8.8
361.16458	100.0
362.16797	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.8
53.03944	5.8
55.01878	3.4
61.02902	1.5
65.03957	2.5
67.05515	3.5
69.03423	5.1
69.07071	2.2
71.04980	2.0
72.08124	2.7
77.03930	2.7
79.05505	18.3
81.07048	5.3
83.04995	1.9
84.08183	2.1
85.02889	2.8
86.09689	3.4
87.10005	1.9
91.05486	33.4
93.07049	13.3
94.04213	2.3
95.04995	11.9
95.08624	1.8
97.02898	2.7
102.06622	1.7
103.05477	19.5
105.07030	17.9
106.04137	2.1
107.04961	43.5
107.08611	2.6
109.02863	1.8
109.06526	5.6
111.04450	2.7
115.05471	8.2
116.06197	1.7
117.07030	8.7
119.04943	7.2
119.08583	4.2
120.05740	3.5
121.06523	25.2
123.04465	8.3
124.05228	8.3
125.05981	4.3
127.03849	3.1
128.06207	9.6
129.07019	33.4
131.04961	12.2
131.08566	14.1
132.05716	2.0
133.02875	3.1
133.06487	6.4
135.04428	4.9
135.08054	6.4
136.05225	1.5
137.05988	23.2
138.03130	1.6
138.06712	2.6
140.04718	2.0
145.06482	8.3
146.03650	2.0
146.07288	4.8
147.04388	5.9
147.08038	4.8
148.05211	7.4
149.05931	10.3
150.06767	1.8
151.03897	6.0
151.07532	19.0
152.04642	4.4
152.06160	3.6
153.05466	17.7
153.06799	3.2
155.07108	3.1
155.08501	2.0
157.06493	24.8
158.07208	2.0
159.08054	3.8
161.05988	60.2
161.09615	13.7
162.06534	2.5
163.07542	22.5
165.05637	2.9
165.07021	13.1
165.09108	12.2
166.06270	10.3
166.07610	3.8
167.07063	74.5
167.08517	8.1
168.05829	2.0
171.08067	1.6
173.06007	2.9
174.06772	14.7
175.07605	11.5
177.07004	2.9
177.09103	12.0
178.07669	3.7
179.06987	6.2
179.08569	6.6
179.10670	2.3
181.05153	3.1
181.06609	6.0
181.08601	94.9
182.07253	9.8
182.08920	4.2
183.08063	2.6
184.08676	1.7
189.09105	100.0
190.07809	2.8
190.09442	3.6
191.07085	2.5
191.08615	6.1
191.10583	2.4
193.06465	5.9
193.08504	2.6
194.07275	5.5
194.47072	1.6
195.08055	14.4
196.08858	3.0
197.06018	2.4
197.09608	11.1
199.07561	4.9
203.08772	2.1
203.10672	2.8
205.06573	3.2
205.10237	2.1
207.08096	5.4
207.10170	21.6
208.08800	5.6
209.05933	2.0
209.09503	1.9
210.06815	7.4
211.07619	7.8
211.11256	2.2
212.08260	3.8
213.09044	2.0
218.07211	2.9
219.08086	6.6
219.10097	2.3
221.05998	6.1
221.09686	2.6
222.06773	4.9
223.07585	11.6
223.11177	6.3
224.08365	4.3
225.05461	4.3
225.09100	19.7
226.06129	3.1
226.09750	2.6
227.07083	10.0
229.12132	3.0
235.07582	5.0
236.08293	4.7
237.05582	2.3
237.09087	4.8
238.06223	2.7
239.06923	8.0
239.10716	3.8
240.07838	6.0
241.08530	4.5
242.09370	3.3
247.07521	4.9
250.06279	2.6
251.07118	5.9
251.10625	7.8
253.04733	2.0
253.08603	15.9
254.09294	2.7
255.06552	5.2
255.10127	6.4
256.10950	2.0
257.08060	2.6
257.11734	15.6
262.46863	1.6
264.07681	2.0
265.08563	1.8
267.06552	3.0
267.10062	4.3
268.07318	3.3
268.10919	2.3
269.08096	2.7
269.11703	2.2
270.08887	5.1
271.10028	1.9
271.13177	4.0
279.10214	7.1
280.10599	2.2
281.07999	3.3
282.11978	1.7
283.09689	16.0
283.13245	9.8
284.10272	2.1
285.07880	4.1
285.11218	31.9
286.11639	3.3
296.10587	2.4
297.11130	3.6
299.09280	3.5
299.12750	4.2
300.09732	2.3
301.14362	1.8
302.11511	5.1
311.12799	9.9
315.12283	26.0
316.12332	2.3
317.13889	17.0
329.13776	5.5
331.15320	2.7
343.15363	11.3
361.16595	12.7
368.50327	1.7
379.96094	2.1
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
53.03939	7.9
53.54838	1.7
55.01875	13.0
55.05524	11.4
57.03439	12.3
60.90278	1.7
61.02925	5.4
65.03932	10.2
67.05507	13.5
68.99779	2.7
69.03432	67.4
69.07055	6.2
70.80698	4.7
71.01340	2.8
71.04996	53.7
73.02915	5.5
74.23719	2.1
79.05497	22.0
81.03423	15.4
81.07069	10.8
83.04958	5.8
85.02911	18.9
85.06553	2.2
87.04458	4.4
91.05479	40.9
93.03412	38.5
93.07040	13.1
95.01327	2.4
95.04948	11.0
95.08598	5.5
97.02917	9.8
97.06516	4.7
98.23264	2.0
99.04459	6.4
103.05468	6.9
105.07049	22.8
107.04960	10.3
107.08605	6.8
109.02883	4.5
109.06508	5.1
109.10123	2.5
111.04445	5.6
115.05452	21.8
116.06290	3.2
117.07024	18.6
119.04951	7.1
119.08588	11.7
121.06517	20.0
121.10159	1.9
123.08076	2.8
127.03899	9.0
128.06230	31.8
129.07027	27.0
130.07835	2.8
131.04918	5.4
131.08557	14.5
132.05730	2.4
133.06529	6.7
133.10117	5.2
135.04407	2.2
135.08052	18.0
137.05943	4.6
137.16519	1.8
141.06975	16.7
142.07782	12.7
143.08580	21.0
145.06474	18.9
145.10130	11.4
147.08057	17.2
147.11690	2.4
149.09674	3.4
151.07561	4.8
151.11147	2.3
152.06232	4.9
153.06946	13.5
154.07779	9.2
155.06013	4.7
155.08575	18.8
156.09361	5.3
157.06511	12.1
157.10164	9.9
158.07294	12.3
159.04509	3.3
159.08072	8.6
159.11723	3.5
160.08919	2.6
161.05998	7.4
161.09677	10.0
163.07530	7.0
165.07007	13.2
166.07762	6.5
167.07111	5.6
167.08598	9.4
168.09189	2.1
169.06509	9.0
169.10176	6.4
170.07248	4.0
171.08086	19.5
171.11690	6.4
172.08759	2.4
173.06073	3.8
173.09615	13.4
175.07545	7.8
175.11218	4.8
178.07791	4.4
179.07133	3.2
179.08592	4.9
181.05009	2.7
181.06477	4.9
181.10141	5.2
182.07251	3.9
183.08052	10.4
183.11691	5.1
184.08865	6.6
185.06084	2.8
185.09651	8.4
185.13213	2.7
187.07555	8.8
187.11169	6.6
188.08246	3.8
189.09157	9.3
189.12737	7.2
191.07083	6.8
193.10133	3.6
195.06412	2.0
195.08118	7.2
197.06064	3.4
197.09676	5.7
198.10352	2.4
199.07571	4.0
199.11192	35.3
200.11658	3.2
201.09143	5.8
201.12759	6.4
205.10254	2.4
208.08728	2.5
209.09570	4.5
211.07631	3.4
211.11174	4.6
213.09218	3.1
213.12660	6.2
215.10724	5.9
216.11517	3.0
217.12224	36.2
223.07565	2.8
223.11182	3.1
225.09135	3.8
225.12761	4.6
227.10677	3.1
229.12306	5.8
231.13815	2.5
239.10643	2.9
241.12225	7.2
253.12251	4.5
255.13879	2.5
257.11893	2.8
259.13318	12.9
276.89728	1.9
279.14008	2.2
283.13428	2.9
293.09964	2.3
297.15112	2.0
325.14154	2.4
343.15359	10.8
361.16495	100.0
362.16824	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	361.1647
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
52.16230	1.6
56.05033	2.3
56.96569	79.5
70.06585	8.3
71.30437	2.7
71.95271	4.1
72.08154	11.9
72.96040	8.6
73.57355	1.8
74.06073	6.2
74.34004	1.6
84.04517	4.3
84.08150	55.8
84.96026	6.5
85.02897	5.0
85.08463	2.0
85.61983	1.6
86.09715	27.6
87.05590	2.0
87.10063	1.6
98.97587	100.0
110.07186	1.8
110.97591	6.0
116.98626	52.3
119.01882	5.5
119.07346	3.7
122.07533	1.6
123.71360	1.5
126.02306	3.5
127.03899	2.9
128.98622	4.6
129.10240	31.2
130.08646	3.5
131.01883	1.8
134.01270	1.6
134.99660	15.7
135.06813	3.0
137.05919	1.9
139.65114	1.5
140.03842	8.4
142.05400	5.8
143.00169	3.9
144.03352	1.8
144.10252	2.0
146.99603	2.9
147.11276	3.8
153.00797	2.1
156.96616	2.9
158.04921	12.5
158.99654	2.0
159.11243	2.0
160.06456	16.1
161.01271	4.4
170.04912	7.7
171.03378	5.8
174.97650	3.6
176.05910	3.3
178.07549	5.5
187.14409	4.7
188.05922	15.6
189.04353	24.9
198.97615	6.4
200.04495	2.9
206.05116	2.6
206.07021	33.8
207.05458	11.7
210.97627	4.2
212.06078	2.2
216.98718	38.1
217.98869	2.9
224.08070	46.1
225.08678	2.7
228.98703	8.5
230.07018	35.6
230.14896	2.5
233.10623	1.7
233.15002	1.9
234.99741	13.6
237.08998	3.3
240.98657	3.5
246.99831	3.2
248.08072	86.9
248.15880	2.1
249.02580	4.8
249.08504	3.4
252.10452	2.1
252.98712	5.4
254.11909	3.0
258.99765	17.1
259.99915	3.1
266.09161	10.5
267.03513	5.1
269.12842	2.1
270.11386	2.5
270.99753	25.6
271.09683	2.5
271.99872	3.7
274.09692	5.2
276.07596	2.3
277.00888	3.0
289.00824	9.8
301.00714	4.9
301.14410	11.1
314.16211	6.9
315.13535	9.3
319.01746	6.0
319.15414	78.3
320.15607	6.4
337.16498	14.0
342.16910	3.2
343.23233	2.3
361.14038	2.8
361.24908	8.8
380.05109	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	361.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.8
55.01855	4.4
55.05505	16.6
56.28171	2.6
57.07071	5.2
65.03942	4.7
67.05502	26.7
69.03423	9.0
69.05134	25.0
69.07062	20.0
71.04993	5.3
79.05500	38.5
81.07066	38.0
91.05485	60.7
93.07050	62.3
95.04972	59.8
95.08604	23.8
96.65668	2.6
97.06537	17.4
99.08125	3.2
101.62421	2.9
103.05487	6.3
105.04522	3.2
105.07037	100.0
105.07751	5.0
107.08611	39.5
109.06505	9.9
109.10149	17.0
111.08064	3.7
115.05495	5.9
116.06207	3.2
117.07014	23.5
119.08585	90.0
121.06534	7.0
121.10149	23.7
122.64016	2.7
123.08057	3.4
123.11716	5.1
128.06241	10.6
129.01834	13.9
129.07008	13.5
130.07800	8.8
131.08575	48.7
133.10136	85.8
134.10423	3.8
135.08046	5.6
135.11681	17.5
141.07014	8.9
142.07779	26.3
143.08548	37.4
144.09264	6.1
145.10127	79.2
147.08018	5.4
147.11726	16.5
149.09634	4.8
154.84137	3.2
155.08559	14.6
156.09355	15.4
157.10135	45.2
158.10875	11.9
159.08058	3.8
159.11714	25.0
161.09624	16.2
161.13300	4.2
163.99626	2.7
165.06941	4.0
167.08530	7.7
168.09358	4.2
169.10101	17.0
170.10884	6.5
171.11696	27.1
172.12340	3.1
173.09607	5.8
173.13275	43.4
175.14818	12.2
179.08527	5.6
180.09297	5.3
181.10129	12.7
182.10936	6.7
183.11633	14.6
185.08081	5.2
185.13284	10.6
187.11246	3.3
187.14818	31.3
188.15202	3.0
192.09302	3.7
193.10103	7.0
194.10834	6.0
195.11638	16.6
196.12376	4.9
197.13239	11.3
199.14906	14.8
205.10034	3.4
206.10980	8.4
207.11734	7.8
209.13225	17.6
210.14020	3.9
211.14822	11.8
220.12495	3.3
221.13179	11.1
223.14835	7.2
235.14777	5.1
237.16389	5.6
239.14340	5.2
247.14952	4.5
251.17941	6.0
253.19601	5.4
256.03503	3.2
257.29623	2.9
265.19482	7.0
277.19550	4.9
343.25952	3.1
360.37549	3.7
361.25037	31.6
361.29108	5.1
361.37515	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	362.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
56.96565	15.8
56.96847	0.8
58.32949	0.4
61.77785	0.3
65.19653	0.3
69.03414	0.7
69.07037	0.3
69.84622	1.5
70.06568	0.8
71.95246	1.0
72.08134	0.6
72.95991	0.4
74.06066	1.4
77.33732	0.3
79.97701	0.3
83.06076	0.5
83.97609	0.5
84.04501	1.6
84.08139	2.7
84.96011	0.7
85.02917	1.8
86.09708	4.9
95.04957	0.4
97.02857	0.7
98.23312	0.4
98.97579	13.9
101.07146	0.6
102.05544	0.7
110.97556	1.0
113.63286	0.4
116.98620	6.4
117.08315	0.4
118.00126	0.4
119.04940	0.4
119.44891	0.3
120.06571	0.6
120.08097	0.5
122.06021	0.6
123.04436	1.1
127.03912	0.6
128.91710	1.0
128.98601	0.8
129.10258	2.1
130.93291	3.5
134.99638	1.5
136.07576	0.7
137.05962	0.6
140.07039	0.7
144.96793	0.6
145.04967	0.6
148.94348	1.1
153.92632	0.4
154.93303	0.8
157.04648	0.9
158.92738	0.4
158.99637	2.9
162.97925	0.4
165.05479	0.9
170.92812	0.8
170.99568	0.4
171.93524	0.5
172.94351	15.3
176.03850	1.3
177.00713	2.5
177.02032	0.6
178.05284	0.5
182.08142	0.6
183.03250	0.9
185.47873	0.4
187.14380	2.6
188.93890	0.8
189.94615	0.8
190.95395	14.1
192.03358	0.4
194.04849	0.6
196.06502	0.7
200.04315	0.4
200.09201	2.8
201.00647	0.4
201.04214	0.7
203.94896	0.4
204.03333	0.9
206.94859	0.6
208.02742	1.0
208.96469	5.1
214.95386	30.3
215.13892	1.3
215.95653	0.5
218.93587	0.7
219.01794	2.1
219.05411	0.4
222.04399	2.0
226.03914	0.7
228.64841	0.4
232.96451	100.0
233.96716	1.5
234.97142	0.4
237.02861	1.9
240.05444	1.2
242.93649	2.4
243.05437	0.9
246.96794	0.6
250.97514	61.0
251.97844	0.8
255.98064	1.2
260.94693	11.3
268.98734	0.8
269.95920	2.5
271.99985	0.4
273.99353	0.4
274.20367	0.4
274.75107	0.3
278.95734	15.6
279.58640	0.4
279.96115	0.5
287.97025	25.0
288.97617	1.0
296.96805	2.7
303.07214	1.4
305.98087	20.9
306.98288	0.7
307.01572	0.6
320.01053	0.6
320.96930	0.4
321.08542	2.0
323.99176	0.7
326.16956	0.4
328.99414	0.4
338.02347	0.5
343.19379	0.4
344.13913	0.4
345.07977	2.5
361.14502	2.0
362.02203	17.7
362.11386	0.7
362.14944	3.5
363.02444	0.7
363.08911	12.3
363.12579	1.3
363.15851	2.5
380.03287	82.3
381.03577	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03427	4.3
60.04538	3.0
61.02930	6.6
67.05508	2.8
69.03426	13.1
69.07047	1.4
70.06600	3.0
70.85993	1.4
71.04994	3.4
72.08167	4.6
73.02927	2.3
79.05477	3.2
81.03422	4.9
81.07055	2.2
84.04523	2.5
84.08141	2.3
85.02907	47.4
85.03427	2.3
85.06533	2.1
86.09708	5.1
91.03980	1.8
91.05491	3.3
97.02890	15.4
99.04456	2.0
105.07040	8.8
107.04993	2.3
109.02868	4.1
119.04954	2.0
120.08118	2.3
123.04432	100.0
124.04781	3.7
126.05475	2.2
127.03919	9.4
132.04478	2.3
133.06493	13.9
136.11412	1.8
137.05981	39.0
145.04956	13.1
147.04449	2.0
149.06032	2.5
163.06044	1.7
165.05476	76.1
165.09096	11.5
180.08638	4.5
183.06534	11.2
183.10217	12.0
200.09032	2.4
200.10855	2.6
215.08714	1.7
235.18570	1.7
272.92542	1.9
362.12067	4.1
362.18912	23.4
363.19324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97694	1.6
55.01864	2.4
55.12357	1.5
56.96568	8.3
57.03429	2.7
58.12850	1.8
61.02933	2.8
67.05505	2.7
69.03432	9.2
70.06583	8.6
71.04995	17.8
71.30296	2.0
72.08155	7.8
73.02930	2.7
74.06081	3.8
81.03426	5.6
83.04988	2.1
84.08160	5.1
84.96038	2.1
85.02911	28.4
85.06567	1.9
86.09706	9.0
87.04462	2.2
91.05472	17.7
93.07073	2.6
95.04971	11.9
97.02903	7.9
98.97590	35.4
99.04469	3.0
109.02876	2.9
110.09726	1.9
110.97594	6.4
113.06018	3.9
116.98634	16.3
119.04954	5.8
121.06514	3.8
123.04425	100.0
124.04833	2.5
124.07613	3.1
126.26550	1.8
127.03938	5.3
128.98619	5.6
129.10229	5.7
132.10178	2.5
134.99664	3.2
136.07602	4.0
137.05989	10.6
138.09117	4.3
140.07108	2.5
145.04938	7.5
146.99599	2.4
147.04422	2.2
154.08655	6.3
155.11786	2.8
157.04707	3.7
158.99684	7.5
159.03293	1.8
164.07118	2.2
165.05489	60.2
168.10236	3.9
170.99681	2.8
174.29485	1.7
177.00758	10.6
177.04355	3.7
180.14908	1.7
182.08089	18.2
200.09149	8.5
200.12906	3.7
201.04309	4.7
209.58907	1.9
219.01805	13.5
219.05476	2.2
219.11592	2.8
225.88368	2.0
237.02806	14.4
303.07245	11.0
317.11908	2.1
318.12457	6.4
321.08432	20.0
344.19287	2.5
345.07785	13.7
362.11035	15.6
362.15289	23.6
363.08966	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03427	4.3
60.04538	3.0
61.02930	6.6
67.05508	2.8
69.03426	13.1
69.07047	1.4
70.06600	3.0
70.85993	1.4
71.04994	3.4
72.08167	4.6
73.02927	2.3
79.05477	3.2
81.03422	4.9
81.07055	2.2
84.04523	2.5
84.08141	2.3
85.02907	47.4
85.03427	2.3
85.06533	2.1
86.09708	5.1
91.03980	1.8
91.05491	3.3
97.02890	15.4
99.04456	2.0
105.07040	8.8
107.04993	2.3
109.02868	4.1
119.04954	2.0
120.08118	2.3
123.04432	100.0
124.04781	3.7
126.05475	2.2
127.03919	9.4
132.04478	2.3
133.06493	13.9
136.11412	1.8
137.05981	39.0
145.04956	13.1
147.04449	2.0
149.06032	2.5
163.06044	1.7
165.05476	76.1
165.09096	11.5
180.08638	4.5
183.06534	11.2
183.10217	12.0
200.09032	2.4
200.10855	2.6
215.08714	1.7
235.18570	1.7
272.92542	1.9
362.12067	4.1
362.18912	23.4
363.19324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42375	1.6
51.91956	1.6
52.51400	1.9
53.03967	1.8
53.20964	1.7
55.01878	3.3
55.05510	3.3
55.48508	1.6
57.03417	2.3
59.71085	1.7
65.03926	3.2
67.05503	9.4
69.03423	10.9
70.06577	2.5
71.04995	4.4
72.08154	1.8
79.05489	12.1
81.03403	3.4
81.07047	5.3
83.05003	2.4
85.02909	18.5
85.06522	2.6
90.03315	1.9
91.05486	40.6
93.07029	12.8
95.04952	11.2
95.08612	10.1
97.02859	3.0
103.05495	4.9
104.06309	1.8
105.07030	90.2
106.07364	4.0
107.04955	3.8
109.10146	3.3
111.04434	4.7
115.05457	2.5
117.07018	12.0
119.08578	100.0
120.08102	3.7
120.08883	2.9
121.06475	3.9
123.08066	57.0
123.08930	4.0
127.03918	2.7
129.06979	3.2
131.04942	3.0
137.05988	11.4
137.09615	8.3
145.05020	2.5
147.08047	35.1
158.10052	2.6
163.07512	2.2
165.09111	36.9
166.09474	2.4
187.11279	2.2
200.12856	2.1
201.12753	2.1
203.12254	3.2
340.66483	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92064	7.6
67.47008	8.0
68.18771	8.3
71.30627	7.8
71.31042	9.4
72.08138	7.8
79.05468	8.2
80.94852	11.8
83.04990	32.2
88.07624	35.3
91.05511	11.0
95.08563	7.6
109.06525	8.8
132.10205	9.5
270.27884	29.5
314.30670	9.3
323.39828	8.1
339.71381	8.9
362.32669	100.0
365.08179	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	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99195	15.7
55.53971	13.6
60.44427	11.4
61.03075	13.5
71.31432	23.0
73.13634	15.1
79.05511	21.3
91.05558	17.1
92.19062	13.1
135.04225	14.5
167.07047	100.0
168.07414	22.8
289.55719	14.9
318.11188	20.9
363.17743	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33215	1.9
50.92180	1.7
57.07066	9.1
58.06605	2.6
63.94739	2.1
67.05508	5.0
69.71045	5.6
70.06595	17.5
71.04988	7.9
71.08609	3.2
78.11527	1.8
80.94830	2.3
81.07045	4.4
83.40441	2.1
84.08138	2.3
88.07633	17.1
95.08591	3.5
102.09155	4.8
107.08543	2.2
114.07275	4.8
114.09145	6.3
125.33531	1.9
131.19867	2.0
132.10201	27.2
155.14287	8.1
173.11781	4.8
176.12857	4.0
194.13899	7.4
202.70639	2.2
248.36258	2.0
256.26401	14.8
277.21649	3.2
318.30106	4.8
344.29651	5.3
362.32803	100.0
363.32849	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	362.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59769	1.8
53.03946	2.9
55.01860	6.0
55.05508	5.6
57.07077	50.0
57.16038	1.9
63.95349	2.1
67.05511	11.6
69.07073	18.1
70.06572	3.0
70.29527	2.0
71.08628	7.2
71.31853	2.2
72.08160	11.8
74.09720	100.0
79.05479	8.1
81.07058	18.1
83.05016	2.4
83.08625	2.7
85.06528	2.8
86.06068	4.6
91.05486	6.2
93.07068	12.2
95.04976	21.2
95.08614	14.7
96.14400	1.8
97.06530	6.0
99.08085	4.5
100.07619	2.5
105.07037	8.0
107.08607	14.5
109.06525	23.4
109.10181	5.0
117.06998	2.2
119.08578	6.4
121.06508	3.3
121.10102	4.7
131.08575	5.1
132.27113	2.2
133.10138	6.7
135.11646	2.1
138.12820	2.2
142.12263	7.8
145.10168	3.9
147.11713	3.5
149.13292	4.1
156.13849	2.8
165.11342	4.6
165.12756	87.3
170.15370	2.5
173.13277	7.1
175.11125	4.7
184.13364	9.0
191.14331	8.2
201.12755	4.2
208.17014	3.0
210.18509	10.6
218.93370	2.0
229.19629	3.3
240.19583	4.1
248.20132	7.9
253.19646	2.5
264.23242	26.5
265.23502	3.0
271.20508	6.3
288.23196	3.1
288.59692	1.9
289.21579	11.3
344.29605	3.2
352.48022	2.2
361.78973	4.2
362.26215	2.5
362.30142	33.5
363.30890	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	363.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95441	0.3
56.96566	4.1
70.76190	0.5
70.76532	0.3
71.95246	0.8
73.91033	0.3
84.96016	0.3
89.75674	0.3
96.85728	0.3
98.97585	100.0
99.97894	0.4
103.76978	0.3
110.97586	1.2
116.98625	25.9
128.98579	0.9
134.99652	4.5
136.01805	0.3
140.00232	0.9
146.99641	0.4
158.99652	54.2
159.99969	0.9
170.99622	0.5
177.00716	37.3
178.01138	0.6
183.03313	0.3
195.01837	2.1
200.02290	0.7
201.04324	0.6
219.01768	27.4
220.02122	0.9
235.49457	0.4
237.02829	1.8
243.05409	2.2
256.56342	0.3
256.86664	0.3
285.06357	0.6
303.07498	10.2
304.07645	0.4
321.08582	10.5
322.08801	0.6
363.09329	3.4
363.16428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
57.03431	1.8
67.05488	2.7
69.03430	11.1
69.29536	9.6
71.04993	5.3
71.74091	1.4
77.41216	1.6
79.05493	2.2
81.07047	2.5
85.02914	6.7
85.06551	2.8
91.05479	9.1
93.07056	1.8
94.04213	3.5
98.23351	3.2
103.05475	6.3
105.07052	13.5
106.07352	4.0
107.04981	2.5
109.06544	2.0
117.07022	2.8
119.04926	1.9
119.08586	6.0
120.08937	6.1
121.06513	2.2
122.03662	7.0
123.08073	2.6
124.08414	1.7
127.03936	2.7
128.06223	3.0
131.04955	8.4
133.06519	16.3
135.08026	5.4
137.05988	100.0
138.05350	1.6
138.06342	6.3
143.08551	2.3
145.06487	4.2
147.08080	3.3
148.08427	2.2
151.07565	2.9
163.07562	27.3
166.09419	2.1
175.07649	2.8
187.07588	1.9
189.09189	5.0
203.05190	3.7
203.10654	3.4
219.13861	3.5
230.88753	1.9
263.10574	2.0
267.11115	1.5
295.13324	2.6
364.13669	4.4
375.97958	1.5
376.02664	1.7
378.25848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.18
Annotation	Sauriol A
Peak:m/z	Relative Intensity
51.77722	0.6
53.03944	1.7
55.01868	2.3
55.05517	3.3
56.05811	0.6
57.03430	3.7
57.07088	1.4
60.66530	0.7
64.80576	0.6
67.05512	6.2
68.40894	0.6
69.03431	100.0
69.07070	1.8
69.29539	4.4
70.03750	0.9
71.01362	1.5
71.04993	24.7
72.08156	1.2
73.02914	2.4
79.05492	6.3
81.03419	5.4
81.07066	3.7
83.04979	2.6
85.02905	30.7
85.06548	18.6
87.04465	2.0
91.05483	11.4
91.06009	1.0
93.07022	3.8
95.04967	2.5
95.08617	2.6
97.02903	3.9
97.06536	4.1
99.04478	2.7
101.02423	0.8
103.05443	1.2
105.07040	10.0
106.07346	1.0
107.04972	2.6
107.08592	2.6
109.02907	2.1
109.06541	1.5
109.10167	0.7
111.04436	1.6
111.08081	1.4
113.06000	0.8
115.05465	2.8
117.07007	5.9
118.07320	0.8
118.96770	0.6
119.08582	7.5
120.08103	2.5
120.08915	1.2
121.06542	2.5
121.10145	1.4
123.08083	1.8
125.05983	0.7
127.03931	5.7
127.30106	0.8
128.06229	3.9
129.07025	8.2
130.07800	1.0
131.04912	0.9
131.08577	9.4
133.06508	1.4
133.10121	5.5
135.08098	2.6
137.05998	1.2
137.09659	1.0
139.07555	0.6
141.07010	2.8
142.07796	2.5
143.03429	1.1
143.08543	5.5
145.05002	0.7
145.06548	3.1
145.10132	4.0
147.08081	2.7
147.11688	0.9
149.09628	7.7
151.07494	1.0
153.07037	1.8
155.08507	5.3
156.09291	0.9
157.06511	1.1
157.10146	4.9
158.07356	0.8
159.08072	5.7
159.11658	3.5
161.09662	1.7
163.07550	0.8
166.05171	0.7
167.07074	1.4
169.10165	2.1
171.08095	1.5
171.11734	1.8
173.05975	0.7
173.09621	3.9
173.13248	1.4
177.05467	1.6
179.08466	1.0
181.10149	1.3
183.08134	0.8
183.11641	3.3
185.09586	1.6
185.13284	4.7
196.08916	0.8
197.09641	1.9
199.11234	1.8
201.12761	8.6
203.14333	3.1
209.13359	0.8
211.11215	1.0
213.09160	0.9
213.12817	1.7
217.12320	0.9
219.11649	1.6
219.13791	33.4
220.14203	1.2
223.11195	0.9
228.11288	0.7
229.12300	1.6
231.13861	0.8
237.12907	0.9
243.13829	2.1
261.14789	0.9
285.14697	0.7
345.17017	1.5
363.18005	18.6
364.18277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.6
55.05507	2.4
56.74857	0.5
57.03438	3.9
57.07082	1.2
61.02926	1.2
65.03940	0.6
67.05513	6.7
69.03433	100.0
69.07061	1.4
70.03764	1.8
71.01361	1.4
71.04998	26.4
72.05343	0.7
73.02923	2.2
79.05494	4.8
81.03424	6.3
81.07058	2.2
83.04985	1.7
83.67454	0.5
85.02908	17.4
85.06548	24.3
87.04458	1.5
87.28050	0.4
91.05486	11.3
93.07055	4.8
95.04981	3.5
95.08621	1.9
97.02889	3.7
97.06536	2.2
99.04458	3.9
101.06095	0.5
103.05486	1.1
105.07036	7.4
107.04974	1.4
107.08617	1.7
109.02895	1.6
109.06528	2.3
110.15478	0.6
111.04465	1.2
111.08092	1.5
115.05477	1.7
116.06255	0.6
117.07006	4.4
119.08587	5.8
121.06536	1.6
121.10153	1.1
123.08083	1.2
125.09688	0.6
127.03906	4.6
128.06226	3.0
129.07021	5.2
130.07805	0.8
131.08575	9.8
133.06528	1.5
133.10129	6.2
135.08061	2.9
137.05965	0.7
141.07016	1.8
142.07790	2.5
143.08577	4.0
144.05663	0.6
145.04967	0.7
145.06509	2.5
145.10115	3.5
147.08078	4.7
149.09621	7.3
153.07016	1.4
155.08565	3.8
156.09366	0.6
157.06499	0.9
157.10146	3.6
159.08061	5.1
159.11697	1.7
161.09633	1.2
163.07538	0.9
165.07062	0.9
167.08566	1.2
168.09372	0.9
169.10120	1.4
171.08102	0.9
171.11740	1.8
173.09589	2.7
173.13301	2.1
175.07584	0.9
175.11241	1.0
179.08496	0.7
181.06494	0.7
181.10152	0.8
183.08163	0.9
183.11670	2.9
185.09612	0.7
185.13284	1.9
187.11185	1.0
197.09746	1.2
199.11189	1.5
199.14859	0.7
201.12769	7.6
203.14346	1.6
211.11420	0.6
213.12717	0.8
217.12328	0.9
219.13809	40.4
220.14233	1.5
223.11093	0.7
229.12309	0.6
243.13821	1.7
255.13733	0.7
345.16971	1.1
363.18011	17.5
363.22009	1.0
364.18500	1.3
369.95395	0.6
376.03665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.01881	1.5
55.05512	2.6
57.03437	4.0
57.07087	1.3
58.72231	0.5
61.02925	1.0
67.01888	0.6
67.05508	6.6
69.03433	100.0
69.96070	1.8
70.03770	1.3
71.01358	1.6
71.04998	26.4
73.02921	2.4
75.49065	0.5
79.05505	4.2
81.03432	5.3
81.07060	2.8
83.04990	1.7
83.20387	0.5
85.02911	33.7
85.06548	21.8
85.07325	0.5
87.04486	1.9
91.05490	10.8
93.07050	3.1
95.04965	2.5
95.08627	1.4
97.02901	5.1
97.06532	1.7
99.04455	2.6
101.02402	0.9
103.05482	1.2
105.07034	9.0
107.04965	1.3
107.08623	2.1
109.02893	1.9
109.06530	2.0
111.04470	0.8
111.08134	1.6
113.02362	0.7
115.03964	0.8
115.05493	1.8
117.07059	5.1
119.04839	0.5
119.08583	4.6
121.06526	2.5
123.04439	0.7
123.08080	0.9
125.02355	1.3
125.06161	0.5
127.03936	4.8
128.06229	3.2
129.07022	6.2
131.04982	0.8
131.08569	9.2
133.06508	1.6
133.10127	7.2
135.08098	2.8
137.05965	1.2
141.06998	3.0
142.07780	2.1
142.95311	0.5
143.03395	0.8
143.08569	6.5
144.05637	0.7
145.04900	0.9
145.06525	2.9
145.10144	2.8
147.08072	2.0
149.09631	8.5
152.55188	0.5
153.06987	1.4
155.08571	5.9
156.09361	0.7
157.10136	5.0
158.07304	1.3
159.08047	5.1
159.11702	2.6
161.09645	1.5
163.07597	0.6
165.06993	0.8
167.07095	0.8
167.08607	1.4
168.09372	1.0
169.10135	1.6
170.07466	0.6
171.08124	1.4
171.11711	1.0
172.08800	0.5
173.09656	3.3
173.13312	1.5
175.07701	0.6
175.11133	0.8
177.09145	0.9
179.08594	0.9
181.10149	1.3
183.08060	0.6
183.11726	2.1
185.09648	1.3
185.13260	4.6
187.11201	1.0
189.09149	0.6
195.11797	0.6
197.09676	1.4
197.13177	0.5
199.11258	1.1
201.12746	9.3
201.14607	0.5
202.13133	0.7
203.14325	3.2
211.11203	0.7
213.12772	0.8
217.12311	1.4
219.13817	32.6
220.14175	2.2
224.84187	0.5
225.12834	0.7
229.12349	0.6
231.13914	0.7
239.14278	0.6
241.12309	0.7
243.13843	1.6
251.05319	0.5
255.13940	0.6
268.14557	0.7
285.14856	1.0
327.15952	0.8
345.17059	1.5
363.18008	19.3
364.18362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
59.38223	2.4
64.75163	2.3
67.05531	3.9
68.26754	2.1
69.03431	19.1
69.07042	2.5
70.05903	2.5
70.46117	7.9
71.04979	10.6
79.05480	7.2
81.03406	3.1
81.07051	3.8
83.04976	3.1
85.02898	9.1
85.06564	2.5
91.05466	10.2
93.07019	6.3
95.04970	3.1
97.02911	3.2
97.06516	2.6
103.05454	10.6
105.07034	12.0
107.04965	3.9
107.08598	4.3
109.06429	2.5
111.04404	2.6
117.07036	4.5
118.72874	2.7
119.04891	2.3
119.08594	4.6
121.06512	3.9
121.10165	2.6
122.03650	9.7
128.06210	5.9
129.06990	3.9
131.04948	7.9
131.08549	6.5
133.06494	14.5
133.10143	4.4
135.08043	11.1
137.05972	100.0
138.06363	5.7
141.07060	3.8
143.08594	4.1
145.06488	6.0
145.10106	5.4
151.03870	4.0
151.07553	6.4
157.06435	2.6
157.10130	5.8
159.07979	3.0
163.07536	25.3
165.09109	2.9
167.07106	4.2
177.09122	3.1
179.06822	2.7
181.04901	2.8
181.08620	4.4
182.92136	2.8
185.02359	2.6
189.09126	3.9
195.11359	2.6
201.12762	2.6
219.13754	2.6
224.51082	2.4
225.63144	2.2
247.92465	2.4
278.74576	2.3
295.13217	4.8
326.04062	2.8
327.16113	4.2
363.17920	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	363.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.8
53.03941	5.1
53.84352	1.3
55.01879	7.8
55.05501	5.8
57.03429	2.7
61.02922	2.1
65.03945	26.4
65.22683	1.4
67.05501	10.7
68.83382	1.7
69.03129	1.7
69.03436	17.8
69.07042	2.4
71.04996	33.9
73.02911	2.0
79.05499	23.9
81.03416	9.1
81.07059	7.4
83.04965	3.6
85.02902	10.1
85.06525	3.2
87.25197	1.6
90.67917	1.4
91.05487	42.8
93.03410	100.0
93.07053	14.0
93.17513	1.4
94.03733	1.9
95.04968	10.3
95.08609	5.4
97.02878	4.3
97.06528	5.8
99.04436	2.4
103.05456	4.0
105.03450	2.1
105.07034	18.3
107.04936	7.9
107.08594	6.9
109.02853	2.6
109.06532	4.1
111.04484	1.7
111.08071	1.7
115.05458	15.8
116.06226	3.3
117.07038	19.8
119.08609	7.2
121.06472	9.3
121.10164	2.7
123.04424	1.3
123.08056	2.0
127.03930	2.8
128.06233	12.8
129.07024	18.0
130.07785	3.6
131.04903	3.3
131.08577	19.5
132.93568	1.7
133.06436	2.2
133.10129	4.5
135.08066	9.8
141.06978	9.4
142.07779	5.8
143.08556	9.5
145.06517	7.0
145.10136	8.5
147.08087	3.2
147.11673	2.2
153.05887	1.6
153.07040	9.5
154.07729	2.5
155.08554	12.3
156.09279	1.5
157.06459	2.2
157.10126	5.8
158.07265	2.2
159.08044	6.1
159.11697	4.2
161.09567	1.7
165.07065	3.8
167.07220	1.6
167.08617	4.5
168.09348	3.1
169.10162	2.7
171.08054	2.7
171.11676	2.8
172.08769	1.7
173.09648	6.0
173.13187	2.6
179.08597	2.5
181.10025	2.5
183.11650	2.9
185.09622	2.1
185.13208	1.6
187.11211	2.6
197.09578	2.7
199.11179	3.3
201.09126	1.8
201.12845	8.9
211.11143	2.1
215.10680	1.8
219.13828	3.4
228.89319	1.6
243.13786	3.0
345.16956	2.5
351.21521	1.5
363.18085	22.8
363.22482	1.9
364.18097	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	363.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	3.9
53.03953	6.4
53.29083	1.8
55.01883	9.8
55.05515	7.3
57.03466	3.8
65.03947	27.2
67.05513	10.3
67.75793	1.5
69.03432	33.2
69.07062	2.4
69.13673	13.2
71.04997	44.2
73.02924	2.1
75.19839	1.6
79.05495	27.9
81.03426	10.5
81.07067	6.9
83.04971	4.1
85.02907	7.9
85.06546	4.0
91.05488	40.4
93.03410	100.0
93.07053	16.6
95.04979	12.1
95.08579	3.6
97.02914	6.6
97.06554	7.1
99.04482	3.0
103.05493	5.5
105.04553	3.6
105.07039	19.6
107.04953	8.0
107.08614	7.7
108.49170	1.5
109.02892	3.1
109.06532	5.3
111.04444	2.4
111.08129	1.9
115.05448	16.7
116.06210	3.5
117.07022	16.8
119.04957	1.8
119.08586	9.1
120.08926	1.6
121.06517	11.4
123.08084	2.1
126.24481	1.9
127.03956	2.4
128.06221	14.9
129.07021	19.7
130.07813	2.8
131.04933	3.1
131.08572	23.4
133.06522	4.0
133.10173	2.6
135.04463	2.0
135.08075	8.5
141.07004	12.0
142.07825	9.0
143.08560	12.2
144.05663	2.1
144.09286	1.8
145.06497	12.1
145.10124	9.5
147.08083	6.1
152.06219	1.9
153.07001	9.7
154.07806	4.1
155.06073	3.2
155.08562	13.0
155.09625	2.0
157.06485	2.9
157.10129	7.2
158.07317	2.8
159.08087	12.3
159.11664	4.0
161.09731	2.2
163.07542	2.2
165.07036	3.7
167.07108	3.5
167.08583	6.0
168.09407	4.1
169.06557	2.7
169.10175	4.2
170.07285	2.0
171.08087	5.7
171.11713	3.0
173.06107	2.2
173.09659	7.5
173.13287	2.3
175.11192	2.4
177.09094	2.9
181.10100	4.2
183.08078	3.2
183.11728	3.6
185.06027	1.7
185.09637	4.3
187.11040	2.3
187.14790	1.8
197.09726	2.4
199.11230	3.2
201.12762	12.6
213.09131	1.8
213.12755	4.1
215.10757	2.5
219.11942	2.5
219.13712	8.2
225.12737	2.0
227.10645	1.8
229.12318	2.1
231.13791	2.1
243.13795	2.3
255.13933	2.3
273.14853	2.4
285.14874	2.0
297.14807	2.0
298.57394	1.8
309.14899	2.3
327.15869	2.2
345.17056	5.7
363.18027	41.2
363.27029	3.7
364.18155	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	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01862	1.2
55.05513	8.1
57.03428	1.0
57.07069	3.2
59.04998	0.9
67.05502	10.9
69.07069	16.4
69.24697	5.2
71.04995	2.1
71.08628	2.4
73.06591	0.9
75.23006	0.8
79.05493	6.2
81.07062	15.9
83.04979	1.2
83.08630	5.5
85.06509	1.8
89.06026	1.9
91.05476	4.1
92.26129	0.8
93.07042	10.0
95.08608	15.8
96.08949	0.8
97.06524	2.6
97.10178	1.7
99.08076	1.4
105.07023	5.9
107.08594	9.3
109.06528	12.4
109.10175	6.6
111.08102	3.6
111.60324	0.8
115.06157	0.7
119.08600	7.6
121.06537	0.9
121.10128	6.8
122.07272	1.0
123.08070	76.9
123.11700	3.7
124.08423	2.3
131.08563	1.5
133.10123	6.6
135.08072	6.1
135.11684	2.9
137.09653	5.1
137.13231	1.7
143.08586	1.2
145.10123	2.6
147.11713	3.6
149.09654	2.2
149.13289	2.7
151.11195	1.2
156.73758	0.8
157.10135	1.5
159.11719	2.4
161.13306	2.8
163.11092	0.8
163.14726	0.8
165.12717	1.4
167.14330	1.7
169.10112	0.7
171.11772	0.9
175.14812	1.3
177.12769	1.0
179.14314	31.9
180.14648	2.0
183.11678	1.0
185.13361	1.0
187.14877	1.0
189.16476	1.1
197.13077	0.9
211.14716	0.9
225.16386	1.1
275.19989	1.9
289.25137	1.6
289.37137	0.7
295.22678	0.8
303.27005	1.5
307.22620	9.3
308.23352	1.0
331.26395	5.9
363.28934	100.0
364.29297	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
56.05894	1.2
57.07090	6.4
57.91973	1.2
66.58352	1.0
67.05505	5.8
69.06734	1.3
69.07058	6.0
69.77794	6.1
71.08627	5.6
73.06553	1.3
79.05480	3.7
81.07066	10.4
83.08611	1.8
89.06026	3.3
91.05483	2.4
93.07021	3.7
95.08610	10.4
99.08089	3.4
105.07027	5.0
107.08581	2.7
109.06519	24.3
109.10146	2.7
114.72878	1.3
116.53050	1.1
119.08577	2.8
121.10110	3.2
122.07304	2.9
123.07166	1.8
123.08070	32.4
124.08344	1.2
133.10141	2.0
135.08078	2.9
137.09712	2.0
147.11723	1.8
150.98972	1.1
154.72911	1.1
161.13191	1.4
167.14297	1.9
179.14305	100.0
180.14594	5.7
193.15970	2.1
193.90884	1.1
220.39755	1.2
251.04515	1.6
331.26233	4.2
332.06793	1.2
336.32303	1.2
354.93774	1.3
363.28925	91.5
364.29385	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47364	2.1
56.05032	6.2
56.96564	18.9
63.67509	2.0
67.05503	6.0
69.03429	8.3
69.07070	2.5
70.06564	5.4
71.01365	2.5
71.04993	39.0
71.30620	3.2
72.05331	20.1
72.08148	4.2
73.02914	4.9
74.06078	14.4
78.04722	3.1
81.03423	2.7
84.04485	2.9
84.08150	4.8
85.02907	12.8
86.03241	3.9
86.09745	3.0
91.05460	4.6
93.07021	3.5
95.04951	2.6
97.02885	6.0
97.06511	2.8
98.07135	2.1
98.97581	82.2
103.05489	2.6
107.04967	3.1
110.09664	3.4
110.97562	5.6
113.06004	6.4
114.05488	2.0
115.07514	3.2
115.87726	2.2
116.98615	35.5
120.08115	2.5
123.04388	6.3
127.03943	2.5
127.08632	2.3
128.98615	8.4
131.78377	2.2
134.99664	11.3
141.01857	3.4
146.99677	7.1
149.06059	2.7
151.62132	2.4
152.04686	4.4
155.11801	5.6
158.99635	20.7
159.06566	2.3
161.04868	4.1
162.99252	2.9
167.07043	100.0
167.10709	5.2
168.07397	3.7
170.99677	2.6
177.00700	26.6
179.05951	4.8
185.04216	8.1
188.09943	3.8
189.00752	5.2
203.05238	15.5
219.01718	13.3
219.11646	8.9
229.10678	2.5
233.49562	2.2
237.02800	27.0
247.11200	5.8
278.10648	2.2
284.68475	2.4
305.09039	15.8
310.39914	2.6
323.10135	56.3
364.09277	12.9
364.13519	5.4
365.10852	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	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
55.32784	1.0
56.05032	3.9
61.01162	1.6
69.03429	1.9
69.95633	1.0
70.06602	4.7
72.08154	2.9
73.02901	1.1
78.04708	2.4
79.05500	2.8
81.03399	3.5
81.07026	2.1
84.08142	2.3
85.02905	5.2
85.06521	2.2
86.09680	1.3
88.03995	1.2
91.05486	1.8
95.05007	1.4
97.02892	2.8
99.04446	1.4
105.01900	1.8
106.04165	1.3
106.33953	1.3
107.05007	2.1
107.08614	1.4
109.02929	1.6
110.07195	1.6
112.07623	3.1
118.17196	1.1
120.08111	3.6
123.04440	5.0
123.08015	1.4
124.05158	1.9
126.06573	1.3
127.03924	2.7
138.09096	2.1
139.92650	1.2
145.02867	1.2
146.05948	1.3
149.09528	1.4
152.04654	1.8
152.12561	1.1
159.06593	1.5
167.07047	100.0
168.07419	3.5
171.07701	1.7
177.05453	2.3
189.03810	2.8
202.12320	2.7
202.14375	1.5
217.13797	1.6
227.07755	4.5
231.05078	1.5
239.07719	2.1
364.09457	1.4
364.13361	2.7
364.17465	3.1
365.11731	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01869	7.9
55.05510	5.0
55.73564	1.6
57.03434	4.6
61.02916	3.5
63.35842	1.6
65.03939	3.2
67.05495	7.3
68.87387	1.6
69.03437	10.3
69.27753	13.5
71.04981	4.2
73.16473	1.8
75.68372	1.5
79.05486	44.4
81.03421	4.3
81.07066	5.8
83.04977	26.4
85.02905	29.3
86.03210	1.9
91.05466	10.6
93.07050	18.3
95.04945	3.1
97.02891	6.9
99.04449	8.0
105.07037	20.6
107.04940	2.6
107.08594	100.0
108.08916	2.7
109.02840	3.5
109.06496	1.6
111.04434	59.3
112.04758	2.5
119.08566	2.0
121.06535	2.3
121.10139	17.4
125.05959	4.2
125.09623	26.1
126.09981	1.9
127.03893	5.0
129.05489	2.2
131.08542	5.8
139.11263	1.8
141.01669	1.8
141.45164	1.8
145.04929	4.2
149.09630	22.3
150.67703	1.8
167.10684	48.5
205.15018	1.6
273.18610	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	364.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01878	2.0
55.05513	1.4
55.45459	1.0
57.23125	1.1
69.03441	7.5
69.37022	6.5
72.04533	1.7
75.21577	1.0
77.03931	1.4
79.05505	2.5
81.03426	3.2
81.07054	2.7
85.02907	9.7
86.09750	1.3
87.00854	2.6
90.05563	2.0
91.05489	9.3
93.07051	100.0
94.07399	4.6
95.04982	3.1
97.02880	3.6
97.17670	1.2
105.01884	4.2
105.07027	1.9
107.08553	1.3
109.02891	2.9
121.10150	37.0
124.07623	1.3
127.03889	5.5
145.04976	3.9
149.09624	33.3
150.09949	2.7
153.21310	1.0
159.02962	1.9
167.10707	23.3
202.10735	2.0
215.04292	1.1
220.11874	1.9
220.14044	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13890	0.5
53.03957	3.2
55.01851	2.0
55.05515	27.7
56.05835	0.7
57.03427	0.6
57.07076	2.7
60.08160	3.8
64.53397	0.6
65.03954	3.3
67.05508	64.2
68.05807	0.7
69.03404	0.6
69.07071	23.5
70.07381	0.7
71.04977	2.1
71.08611	0.9
71.28313	0.5
73.02931	2.6
73.06556	0.6
79.05499	37.9
80.05804	1.2
81.07062	48.7
82.07388	1.1
83.04969	1.5
83.08626	8.3
85.06525	2.0
86.09681	1.5
86.91364	0.5
91.05486	17.6
91.48535	0.5
93.07049	38.5
94.07365	1.4
95.04966	3.1
95.08610	35.9
96.08897	1.0
97.06514	2.1
97.10178	2.7
99.04454	2.7
99.08057	0.8
105.04504	1.1
105.07032	8.9
107.08598	23.0
108.08848	0.7
109.06487	2.1
109.10156	13.4
110.26194	0.5
110.73840	0.6
111.08090	0.8
117.06977	1.5
119.08594	5.3
121.06481	0.5
121.09307	0.7
121.10146	13.6
122.10457	1.0
123.08068	0.9
123.11704	3.1
125.09617	0.5
127.07473	0.8
131.08553	2.5
133.10126	4.8
135.11700	7.2
143.08493	0.6
145.10089	1.8
147.11662	2.5
149.09584	0.6
149.13280	4.5
159.11659	1.0
161.13258	1.5
163.11157	0.6
163.14803	1.8
169.09836	0.6
177.16466	0.7
197.07909	0.5
211.58051	0.5
235.17111	0.6
305.24759	86.2
306.25150	7.8
308.06827	0.6
364.32108	100.0
365.10425	1.8
365.32443	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50577	0.6
98.74358	0.3
106.27091	0.3
112.27132	0.3
161.02913	0.4
173.03177	0.3
177.48305	0.3
185.04221	28.2
186.04552	0.6
198.53276	0.3
203.05270	58.6
204.05580	1.8
245.05058	0.6
263.50531	0.3
337.85028	0.3
365.10547	100.0
366.10938	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	365.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64948	1.1
56.96301	2.0
56.96568	27.7
56.96849	1.9
66.72442	0.9
69.89890	1.2
71.23602	1.9
71.60414	1.2
71.95261	1.2
84.04499	1.7
84.08138	4.6
84.96037	9.6
85.02908	1.3
92.32744	1.0
97.96840	1.2
98.97588	62.7
110.97578	26.0
112.99142	4.6
115.00719	1.3
116.98633	18.3
120.08136	5.3
122.07139	1.4
124.99123	2.1
125.99659	1.1
126.97062	1.3
128.98619	22.2
129.10251	2.6
130.04977	3.2
131.00145	3.9
134.99678	4.0
140.98604	3.7
141.02231	6.6
143.00182	6.3
143.03893	1.9
144.04819	1.3
144.98077	4.9
146.99663	7.8
147.07654	3.3
152.98611	1.2
157.01723	2.1
158.99670	11.5
159.03290	21.5
161.01210	6.9
161.04878	12.0
162.99146	3.1
165.00795	1.2
170.99677	7.2
173.01262	1.0
177.00748	11.5
177.04327	14.2
179.02365	1.4
179.05923	11.4
185.04195	15.8
189.00664	4.6
189.04361	2.4
192.01892	1.7
195.01976	1.4
195.05244	1.3
201.00705	3.6
201.04358	2.3
203.05286	33.2
205.07184	1.2
207.05298	2.3
215.05817	1.5
218.94659	1.7
219.01778	43.1
220.02051	1.5
221.06967	5.5
233.06813	1.7
236.95789	3.1
237.02812	55.9
245.06967	4.4
254.96758	2.4
255.03860	4.7
260.04517	1.3
263.08026	2.3
279.07361	1.7
303.07629	2.5
305.09085	76.1
306.09576	3.7
321.08463	4.5
323.10156	100.0
324.10403	4.6
346.11526	1.6
365.05533	3.0
365.10626	66.6
366.11121	4.7
384.02426	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.1
67.05496	0.8
69.03433	0.8
69.61812	3.2
70.06583	0.9
71.04993	0.7
72.08144	2.5
81.03421	1.2
81.07069	0.9
84.08139	1.5
85.02931	1.3
86.09708	1.7
91.05475	1.3
93.07032	0.7
95.08635	0.6
97.02903	1.0
98.97569	1.3
99.04461	1.2
99.08110	0.9
105.01859	0.6
109.02900	0.9
109.06501	0.7
109.89935	0.6
113.05962	0.8
116.34440	0.5
117.07005	0.5
119.04930	2.2
120.08100	6.5
122.70741	0.6
129.10269	1.0
145.02870	0.9
147.04391	5.1
153.91592	0.7
157.32059	0.6
177.05438	1.0
185.04276	3.9
189.03807	1.1
202.05980	0.9
203.05252	1.0
205.03415	0.7
219.14999	1.9
223.04605	0.9
239.02509	0.7
263.03973	1.9
263.06601	0.8
347.12463	1.2
365.12091	100.0
366.12057	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	365.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70130	0.7
56.46662	0.9
56.96569	8.6
61.92998	0.7
63.34541	0.7
67.05521	0.9
69.03426	1.4
70.06611	1.0
70.98121	0.7
71.28984	1.2
72.08188	0.8
82.99839	1.4
84.08155	1.6
84.96040	1.5
85.02903	2.2
91.05482	0.9
98.97591	21.1
100.97169	1.3
101.00901	7.6
103.02448	1.5
106.04868	0.7
110.97579	3.0
113.00892	6.3
115.02450	2.7
116.98629	9.9
117.04034	1.1
119.01937	13.0
119.04940	0.7
120.02072	0.7
124.99081	1.2
125.04506	1.6
127.02427	1.9
128.98619	2.4
129.03981	0.8
130.06535	1.7
130.93349	1.2
131.01917	16.6
131.05562	2.1
133.01601	0.9
133.03479	4.0
134.99663	1.8
135.05043	1.5
137.02954	1.5
143.00174	3.4
143.01901	4.1
143.05513	5.4
145.03488	6.5
146.99739	1.9
147.04294	5.1
149.03020	0.8
149.06671	2.0
155.01909	9.1
156.02655	2.2
157.03510	2.8
158.99689	3.9
159.05070	4.1
161.01295	3.9
161.03004	6.1
161.06607	43.5
162.06812	2.1
167.05569	1.1
169.03481	0.9
171.05035	1.7
172.94432	1.2
173.02998	9.0
173.06601	5.1
174.03096	0.9
175.04543	1.1
177.00783	3.9
177.04170	0.7
177.05943	0.9
178.01122	1.4
179.02390	1.0
179.07680	15.1
180.07820	0.9
180.57648	0.7
185.01381	1.4
185.02939	2.2
185.04312	9.8
185.06598	12.9
187.04480	1.2
187.08191	3.1
189.00761	1.8
189.06061	2.2
191.03990	1.0
191.07701	0.9
192.03755	1.1
196.02251	2.6
197.02966	1.1
197.06612	7.8
199.08151	4.7
203.02290	3.1
203.05353	16.9
203.07680	67.2
204.06013	1.1
204.07779	4.8
205.09322	0.9
209.06638	1.2
210.04741	7.3
215.07668	40.6
216.07916	3.2
217.09262	7.2
219.01834	1.7
220.02423	1.2
220.98038	1.9
221.01669	1.2
221.03162	0.7
221.05043	14.4
221.06882	1.3
222.05199	1.0
223.04651	1.3
227.07706	2.9
229.09296	0.9
232.96452	1.8
233.06705	1.2
234.04817	5.4
234.99796	1.7
237.02852	2.6
239.07716	10.2
240.07971	1.4
245.05119	6.3
245.08763	4.0
247.04591	0.8
252.05775	11.4
257.08817	2.6
261.08322	1.9
269.08884	1.2
273.08118	1.1
274.97293	1.2
275.09897	1.8
277.00839	1.1
287.09659	4.7
287.98135	1.0
292.98740	1.2
305.10828	100.0
306.10974	9.3
323.06210	1.9
323.12207	5.1
365.10593	29.7
365.13077	14.3
366.12930	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
56.96559	1.0
61.37591	0.4
65.47191	0.4
67.05491	0.6
69.07062	1.2
69.53829	1.6
69.54234	1.3
79.05494	1.0
81.07056	1.1
83.08621	1.0
86.26933	0.5
91.05453	0.7
93.07021	0.8
95.08620	1.0
97.02875	0.6
105.07065	1.1
107.08620	1.2
108.45102	0.5
109.10190	0.6
117.07061	0.5
119.08638	0.8
123.07991	0.6
131.08604	0.7
157.10226	0.6
159.11627	0.7
171.11075	0.6
203.05476	0.7
231.09189	0.5
241.07532	0.5
291.19516	1.5
295.15128	0.7
365.10635	1.7
365.23007	100.0
366.23318	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	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71563	0.4
54.40644	0.4
59.06254	0.4
69.89642	1.3
69.90008	0.6
79.05497	0.5
80.91694	0.4
81.07059	0.7
93.07066	0.5
105.07034	0.5
107.08582	0.5
107.43627	0.4
185.04108	1.1
203.05280	1.4
237.75853	0.4
241.02806	0.4
249.14902	0.6
301.14459	0.4
347.22226	0.7
348.21826	0.4
365.10840	2.7
365.22989	100.0
366.23328	7.3
374.56543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.01870	10.9
55.05512	17.3
57.03433	14.1
57.07074	5.7
58.47306	2.9
59.05020	4.0
61.02937	14.7
62.82336	2.8
65.03950	6.5
67.05506	30.6
69.03433	36.9
69.07072	24.3
69.35720	9.4
69.36124	13.8
71.01347	4.6
71.04996	37.6
72.37659	2.6
73.02921	12.7
79.05503	24.5
81.03429	21.0
81.07062	55.4
83.04981	9.0
83.08627	8.8
85.02915	45.8
87.04484	6.0
89.61280	3.2
91.05490	43.4
93.07043	49.0
93.77969	3.4
95.04960	16.6
95.08610	55.2
97.02890	16.5
97.06535	9.7
97.10145	3.6
99.04464	9.9
99.08099	3.6
103.03960	11.9
103.05464	5.8
105.07038	78.3
107.04971	9.1
107.08593	46.8
109.02885	5.6
109.06518	13.6
109.10169	35.0
111.04459	9.6
111.08091	4.0
115.03957	7.1
115.05435	7.9
117.07018	22.6
119.04954	14.7
119.08587	89.3
119.09447	4.5
121.06509	10.1
121.10146	34.6
123.04451	7.0
123.08131	7.5
123.11729	18.0
125.06019	3.5
125.09630	7.6
127.03902	11.4
127.11184	9.5
128.06226	9.4
129.05504	6.2
129.07005	13.1
130.07777	5.1
131.08569	55.4
133.04990	4.6
133.06537	7.3
133.10118	50.0
135.08069	15.0
135.11681	19.3
137.09624	12.6
141.06979	5.1
142.07738	7.5
143.07043	3.3
143.07530	4.0
143.08577	37.7
143.10692	7.4
144.09387	5.7
145.06490	4.8
145.10124	75.8
147.08087	18.4
147.11673	38.4
149.09636	12.4
149.13249	5.5
151.11249	3.4
153.06932	5.6
153.12756	5.6
155.08546	15.9
156.09354	6.4
156.69156	3.5
157.10127	42.0
158.10817	9.3
159.08063	10.1
159.11697	68.8
160.12096	4.5
161.09633	12.3
161.13231	16.4
163.11234	5.9
163.14854	4.5
167.08580	5.7
169.10132	14.3
170.10944	4.2
171.08047	19.3
171.11671	30.9
173.09653	12.6
173.13257	37.7
175.11214	10.1
175.14861	12.0
177.12750	6.4
177.16476	3.0
179.08455	3.4
181.10135	7.1
182.10965	4.1
183.11705	19.7
185.09619	4.2
185.13286	17.0
187.11205	7.1
187.14842	34.8
189.09129	8.8
189.12741	11.2
189.16388	62.2
191.10736	5.8
193.10246	6.4
193.15881	4.1
195.11705	10.8
197.13306	14.4
199.11206	4.5
199.14857	12.0
201.09131	3.7
201.12740	10.6
201.16396	47.6
203.14357	4.1
203.18031	14.1
207.10149	10.3
207.11874	5.3
209.11667	6.8
211.14796	4.5
213.12689	5.4
213.16335	14.9
215.14342	5.9
215.17892	17.3
217.15829	4.5
219.17479	5.3
223.14833	5.3
225.12752	11.2
225.16423	8.9
227.17934	16.6
231.17455	11.3
233.19080	6.4
237.16263	3.9
239.17966	3.2
241.15794	5.9
241.19504	3.7
243.13795	8.8
243.17450	6.8
245.19019	11.8
257.18884	4.8
259.17059	3.7
261.14948	7.8
261.18304	4.0
269.19034	6.7
275.20105	4.4
279.15903	9.5
283.20157	5.0
287.20016	5.2
287.32275	3.1
293.18823	3.2
299.20135	6.8
308.86899	3.7
311.20059	15.4
317.21301	4.5
329.21051	31.4
330.21216	4.1
347.22101	39.1
365.13815	3.5
365.18683	6.6
365.23230	100.0
366.23590	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	365.2474
Annotation	Quinestrol
Peak:m/z	Relative Intensity
53.03936	3.6
55.01857	2.3
55.05518	14.9
57.07072	6.0
59.04992	6.8
63.30477	2.1
65.03944	5.5
67.05518	18.9
67.05828	3.1
69.03416	9.8
69.07075	14.8
69.21416	10.7
69.21840	10.6
71.04980	4.5
79.05492	23.1
81.07054	23.5
83.04978	2.8
83.08611	5.9
85.06534	7.4
91.05486	34.4
93.07043	35.2
95.04975	33.0
95.08603	22.0
97.06528	9.8
98.23353	4.9
103.05469	3.6
105.07030	49.5
105.07671	4.2
107.08591	31.2
109.06518	12.2
109.10168	14.0
115.05419	6.1
117.07040	13.7
119.08578	41.3
121.06506	5.6
121.10152	37.0
123.08054	6.8
128.06210	5.1
129.06972	14.0
130.07817	3.7
131.08571	25.5
133.06564	3.0
133.10132	20.7
135.08043	9.7
135.11702	6.8
137.09608	6.2
139.11140	3.3
141.06999	8.4
142.07799	13.2
143.08575	33.6
144.09338	6.1
145.06487	3.1
145.10126	31.1
147.08031	7.1
147.11685	11.8
149.09630	10.6
149.13275	5.4
153.07028	5.0
154.07761	4.0
155.08589	13.4
156.09396	13.5
157.10130	33.3
158.10846	7.7
159.08022	4.3
159.11699	17.0
161.09654	13.2
161.13289	6.3
163.11183	3.0
163.14915	2.6
165.07002	7.4
166.07806	4.6
167.08582	7.9
168.09366	5.5
169.10124	20.2
170.11021	6.0
171.11673	22.2
172.08794	3.7
172.12317	3.6
173.09630	8.6
173.13260	20.4
175.11145	5.6
175.14841	3.1
177.12784	3.3
179.08589	10.7
180.09265	4.0
181.10100	12.3
182.10918	7.0
183.11679	22.1
185.09653	5.8
185.13225	12.7
187.11229	5.2
187.14827	4.7
189.12775	3.4
191.14297	11.6
192.09436	3.3
193.10132	14.0
194.10878	9.3
195.11705	18.2
196.12427	3.8
197.13301	17.4
199.11224	5.5
199.14828	7.6
201.12735	9.1
201.16310	3.8
203.14439	3.2
206.11020	4.5
207.11694	20.6
207.13550	4.0
208.12421	8.4
209.13246	18.6
211.11218	3.5
211.14740	14.8
213.12769	6.6
213.16434	5.6
215.14311	4.8
216.15010	2.9
219.11638	5.0
220.12531	4.7
221.09872	3.2
221.13293	14.1
222.14029	5.0
223.14771	11.9
225.12733	6.8
227.14319	5.3
231.11658	3.9
232.12346	3.1
233.13303	7.9
234.13896	5.0
235.14787	8.2
237.16440	4.7
239.14217	4.5
239.17888	4.6
243.11687	5.0
247.14836	8.2
249.16435	12.9
251.14381	3.0
251.17934	4.3
253.15886	4.8
259.14728	4.2
261.16269	3.6
263.14209	3.6
263.17944	8.7
264.18616	3.7
265.15857	4.4
265.19223	3.2
267.17441	6.9
269.18912	3.4
270.16510	2.9
273.21954	3.7
277.15927	6.3
279.17502	4.0
281.19046	7.2
282.19815	4.7
289.19653	2.9
291.17413	8.0
297.18423	8.1
309.18402	3.9
329.22604	4.2
332.21133	3.5
337.25098	2.6
347.23682	27.3
348.23889	4.0
365.24716	100.0
365.28979	6.0
366.25058	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
54.48423	3.1
55.05509	16.7
57.07071	9.0
59.04993	6.0
67.05511	28.2
69.03429	10.0
69.04885	31.6
69.07084	20.9
76.17602	3.7
79.05498	24.7
81.07052	37.6
83.04987	6.1
83.08617	7.9
85.06573	9.3
91.05487	32.2
93.07049	42.3
95.00228	3.5
95.04973	46.7
95.08601	33.2
97.06541	4.6
99.15968	3.2
103.05479	4.0
105.07039	64.4
107.08586	30.6
109.06526	11.1
109.10165	17.6
111.08112	4.7
117.07018	11.4
119.08581	59.6
121.06630	3.5
121.10148	33.6
123.08115	8.4
123.11719	7.9
128.06255	14.3
129.07030	14.1
130.07829	4.5
131.08580	27.9
133.06450	3.9
133.10121	24.9
135.08051	12.2
137.09650	3.5
141.06950	5.6
142.07790	19.5
143.08577	36.0
144.09352	4.0
145.10129	32.2
147.08073	15.1
147.11697	12.9
149.09619	7.2
149.13254	7.2
153.06981	4.2
154.07658	4.8
155.08540	12.0
156.09306	13.4
157.10121	38.1
158.11014	5.0
159.08061	4.5
159.11749	23.0
161.09674	10.6
165.07059	7.8
166.07846	7.6
167.08566	11.9
168.09372	4.5
169.10141	27.9
170.10947	8.4
171.11722	30.6
173.09708	10.6
173.13235	22.3
175.11166	4.8
175.14844	4.9
179.08473	17.8
180.09357	7.1
181.10193	20.7
182.10901	10.3
183.11681	32.6
184.12506	7.0
185.04265	11.2
185.09685	5.0
185.13274	17.4
187.11217	5.8
187.15001	7.0
189.12671	4.3
192.09377	7.3
193.10101	24.5
194.10934	13.1
195.11691	28.9
196.12555	8.6
197.09674	4.7
197.13261	20.5
198.13846	4.4
199.11174	5.4
199.14873	13.4
201.12730	6.6
203.05322	15.0
205.10204	5.1
206.10889	6.5
207.11711	34.9
208.12485	12.6
209.13260	24.3
210.14204	7.4
211.11116	5.6
211.14891	13.1
213.12723	4.1
218.10852	4.6
219.11699	11.2
220.12546	10.2
221.13310	17.7
222.13904	5.8
223.11176	4.1
223.14841	15.8
225.12741	11.6
225.16440	5.7
227.14314	6.7
231.11777	5.3
233.13281	13.2
234.13918	4.9
235.14905	13.7
237.16412	7.2
239.14383	4.8
239.18015	4.8
243.11752	4.9
245.13309	6.9
247.14857	10.8
249.16409	18.3
251.17932	6.2
253.15901	8.6
255.17500	6.4
259.14862	7.3
261.16299	4.2
263.14462	6.4
263.17993	10.4
265.15936	9.7
265.19470	6.3
267.17462	8.6
269.19110	5.4
273.16382	8.0
274.17252	4.7
279.17130	4.8
281.19144	11.3
284.03259	3.7
289.19489	5.3
291.17514	12.1
307.20480	5.7
309.18372	6.4
319.24423	5.2
333.20462	4.4
337.25302	9.8
347.23608	36.6
351.12344	4.1
365.10434	43.3
365.24588	100.0
366.25174	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	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.05280	3.3
55.05515	23.2
57.07083	18.3
61.30358	2.7
65.03926	4.2
67.05499	35.6
69.03428	6.0
69.07076	22.0
70.07355	2.8
71.04996	5.4
71.31252	5.3
73.18073	2.9
79.05508	27.5
79.64486	2.9
81.07055	45.4
83.05018	5.2
83.08636	8.7
85.06554	13.6
91.05482	38.5
93.07040	37.0
95.04971	34.0
95.08616	46.9
96.08944	3.7
97.06522	10.8
99.08111	4.3
105.07040	47.8
107.08599	40.1
109.06503	18.7
109.10156	20.3
115.05440	3.2
117.07066	15.5
119.08589	63.4
121.06509	6.6
121.10152	23.6
123.08054	27.1
123.11713	7.8
128.06201	4.2
129.07016	11.0
131.08585	24.6
133.10133	19.6
134.10451	3.4
135.08054	19.8
135.11720	11.3
137.09708	4.0
141.06972	7.8
142.07825	23.2
143.08568	36.0
144.09312	7.3
145.10152	34.8
147.08067	8.1
147.11694	11.8
148.00688	3.5
149.09602	8.1
151.07529	7.3
152.08347	4.9
153.06950	4.1
154.07785	4.5
155.08597	10.9
156.09335	13.0
157.10138	44.3
159.08041	4.4
159.11691	27.2
160.12088	3.2
161.09657	8.9
161.13246	9.0
165.06993	6.8
165.09108	12.6
167.08492	7.1
168.09192	4.5
169.10161	19.2
170.10892	6.4
171.11716	19.2
173.13277	12.3
179.08534	6.2
179.14285	28.1
181.10088	14.1
182.10773	6.1
183.11711	28.0
184.12352	4.1
185.04250	7.0
185.13252	49.1
187.11200	11.2
187.14799	13.6
191.14241	3.5
193.10175	14.3
193.15916	3.6
194.10927	8.4
195.11691	20.8
196.12390	9.0
197.13251	19.8
199.14902	7.1
203.05237	17.7
203.14404	5.1
205.15854	9.9
206.10860	4.4
207.11710	17.9
208.12421	10.7
209.13284	22.5
210.13997	4.5
211.14803	9.8
213.12784	8.4
218.10971	3.5
220.12471	6.4
221.13287	16.0
221.15141	3.5
222.13933	6.4
223.11349	3.6
223.14825	13.2
224.15369	4.5
225.16385	5.7
227.14371	4.9
227.18031	4.7
229.15843	3.8
233.13335	5.1
235.14812	8.6
237.16399	11.2
241.15898	7.6
247.14774	6.8
249.16348	9.4
251.17941	9.5
253.15874	3.7
263.17859	5.2
265.15918	7.6
265.19507	9.5
269.19092	6.1
273.16290	4.8
277.15887	3.9
277.19357	3.9
281.19019	7.6
283.20520	4.6
289.19223	6.0
291.17322	6.3
303.23230	5.8
307.26324	7.2
309.18329	5.0
329.22665	4.2
347.23621	14.8
347.25772	29.0
365.10312	32.8
365.14636	4.4
365.26917	100.0
365.32382	10.4
366.11179	4.0
366.24503	5.1
366.27878	6.8
366.33548	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01857	0.5
55.05513	2.1
57.07083	10.2
58.89766	0.4
67.05493	2.1
69.07072	3.4
69.41768	2.6
69.46745	0.5
70.07403	0.4
71.08646	0.7
79.05485	1.9
81.07053	2.8
82.07371	0.5
83.04979	0.8
83.08598	0.7
85.06551	5.9
91.05495	4.1
93.07050	2.3
95.08611	2.9
97.06561	1.1
99.35842	0.4
105.07057	1.0
107.08608	2.3
109.06532	4.0
109.10155	1.8
111.04420	0.8
111.08081	0.7
111.11881	0.4
119.08576	1.2
121.10142	1.1
123.08076	6.4
124.08898	1.0
125.06021	0.8
133.10123	0.9
134.40648	0.4
135.08067	2.6
135.11714	1.2
135.76218	0.4
137.05972	1.4
145.10184	0.5
147.11671	0.6
149.09669	0.8
151.07555	3.9
152.08339	4.4
159.11761	0.5
161.09627	0.5
163.07472	0.6
163.11214	0.6
164.82741	0.5
165.09119	16.3
165.12729	1.0
166.09746	0.9
175.11172	1.2
177.09102	0.5
177.12743	0.5
179.10695	3.2
179.14297	0.7
185.04277	1.0
191.10710	0.8
193.12218	0.7
195.13808	1.0
203.05276	2.3
208.14612	2.3
209.15225	0.6
219.13870	0.7
221.15413	2.2
235.16879	0.6
249.18486	1.5
259.17169	0.5
263.20065	7.0
264.20438	0.4
279.19528	0.6
305.24814	3.0
305.27924	0.5
307.26355	0.7
310.18048	1.7
319.26376	5.0
347.25821	49.9
348.26218	4.4
357.54599	0.4
365.10519	4.5
365.26880	100.0
366.10779	0.5
366.27463	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05502	2.2
57.07074	3.5
65.59844	0.8
67.05499	3.3
69.07066	2.9
71.08627	1.1
71.31439	1.1
74.43307	0.6
79.05486	1.1
79.99614	0.6
81.07064	4.7
83.08603	1.7
91.05492	1.2
93.07030	2.8
95.04975	0.9
95.08626	3.4
98.98448	1.0
99.08109	0.7
105.07000	2.0
107.08592	2.9
109.06543	2.0
109.10201	1.3
114.80367	0.7
117.26978	0.6
119.08591	1.7
121.10166	2.0
123.08067	4.5
123.11670	0.9
124.08894	1.4
133.10162	1.7
135.08032	2.3
135.11649	1.3
137.09572	0.8
145.10179	1.1
147.11636	0.7
151.07524	4.7
152.08337	6.9
152.92784	0.7
155.01030	2.5
159.11714	0.8
165.09125	8.3
177.12683	1.1
179.10692	1.8
185.04204	6.6
194.13048	3.4
203.05281	13.2
207.13826	2.0
249.18608	1.9
263.20016	1.9
283.24045	0.8
306.25009	0.8
319.26300	1.1
329.24811	1.7
347.25818	23.3
348.26028	1.7
365.10556	23.6
365.26880	100.0
366.10864	2.1
366.27271	9.6
382.48386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03962	0.5
55.01878	0.6
55.05518	3.2
57.07080	6.0
58.77401	0.4
59.68045	0.4
67.05502	5.1
69.07080	2.0
69.20901	0.4
79.05483	2.9
81.07059	5.5
83.04990	1.0
83.08645	1.2
85.06549	4.3
86.08302	0.4
91.04949	0.6
91.05479	4.3
93.07052	4.6
95.04968	3.6
95.08614	6.1
96.75877	0.4
97.06542	0.7
105.07037	4.2
107.08614	4.6
109.06519	3.4
109.10153	2.8
111.08074	0.7
117.07003	0.9
119.08577	5.9
121.06518	0.9
121.10157	2.8
123.08083	5.8
123.11761	0.6
124.08881	1.4
125.26026	0.4
128.06163	0.5
129.07021	1.4
130.07779	0.5
131.08568	2.3
133.10127	2.6
135.08049	1.7
135.11716	1.3
137.09608	0.6
139.07541	0.5
141.07057	0.5
142.07806	1.5
143.08566	3.1
145.10130	3.2
147.08095	0.5
147.11716	1.0
149.09642	1.0
151.07544	5.1
151.11295	0.6
152.08356	8.1
153.06963	0.4
155.08614	1.3
156.09354	0.9
157.10143	4.2
159.11674	3.2
161.09668	0.9
161.13286	0.8
165.09134	11.5
165.12923	0.6
166.09875	0.8
167.08617	0.6
169.10184	2.0
170.10905	1.0
171.11685	2.2
173.09708	0.5
173.13333	1.1
175.11241	1.0
175.14944	0.4
177.12706	0.7
179.08473	0.7
179.09331	0.4
179.10674	2.5
179.14296	0.6
181.10139	0.9
182.10846	1.1
183.11751	2.0
184.12544	0.4
185.04257	1.2
185.13263	3.8
187.11205	1.2
187.14948	0.5
189.12831	0.6
193.10179	0.8
193.12186	0.6
194.13031	5.0
195.11737	1.7
195.13515	0.6
196.12422	0.5
197.13295	2.1
199.14883	0.8
203.05269	3.6
207.11748	1.3
207.13878	2.3
208.12526	1.0
209.13297	1.2
210.14018	0.6
211.11137	0.5
211.14815	1.0
213.12852	0.8
218.10757	0.4
219.11823	0.6
221.13312	1.2
221.15306	0.6
223.14929	1.2
233.13405	0.6
234.14026	0.6
235.14899	0.8
235.17032	0.9
237.16508	1.1
247.14861	0.6
249.16368	0.7
249.18634	1.2
251.17982	0.7
263.17911	0.7
263.20175	4.2
273.16336	0.5
277.22098	0.5
281.18936	0.6
289.19675	0.6
306.25076	0.8
307.26315	0.8
319.26520	0.6
347.25940	20.8
348.26321	1.7
365.10614	6.6
365.26968	100.0
366.10925	0.8
366.27347	8.1
366.32245	0.6
366.33835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90526	1.2
53.03949	1.9
55.05518	7.7
57.07070	3.7
59.50909	1.4
65.35642	1.1
67.05168	2.2
67.05504	24.7
69.07069	15.7
69.88696	4.9
72.08150	3.0
73.08508	2.3
75.08595	1.2
76.35660	1.4
79.05497	12.1
81.07061	43.7
83.08625	5.0
86.41077	1.2
91.05489	10.9
93.07052	30.7
95.04961	1.6
95.08610	58.3
97.10160	3.9
105.07036	26.2
107.08599	34.3
109.10155	35.5
111.11705	2.6
117.07040	4.8
119.08584	29.0
121.10146	28.3
122.10477	1.5
123.11716	20.5
129.07056	1.9
131.08585	12.4
133.10139	19.6
135.11697	22.1
137.13245	5.2
143.08589	4.7
145.10127	15.7
147.11697	20.8
149.13263	14.4
156.09323	2.2
157.10179	7.3
159.11723	23.5
161.13263	27.8
163.14877	7.1
171.11671	7.3
172.12109	1.4
173.13280	15.9
174.13789	2.1
175.14832	18.4
177.16402	3.4
183.11703	1.5
185.04242	9.4
185.13255	9.0
187.14818	11.5
189.16357	7.7
197.13202	1.9
199.14835	6.7
201.16371	9.9
203.05260	24.5
203.17865	7.1
211.14943	1.3
213.16386	9.0
215.17992	8.8
217.19469	3.1
227.17950	12.9
229.19472	11.2
239.17711	1.5
241.19456	13.3
243.21077	7.7
253.19560	1.8
255.21141	11.8
257.22665	10.1
269.22632	10.0
271.24493	1.6
281.22681	2.4
283.24207	18.0
295.24286	3.2
309.25784	4.1
365.10556	45.7
365.32043	100.0
366.10822	2.5
366.32410	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	366.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04177	0.7
56.05033	1.5
56.96566	34.1
56.96851	1.8
57.07061	2.4
60.04537	1.2
61.69305	0.8
62.82071	0.8
62.88464	0.8
67.05498	1.6
69.03422	2.2
69.07087	0.8
69.13813	7.3
70.06599	1.7
71.95261	2.7
74.02430	2.4
75.02683	1.7
76.90602	0.9
84.08147	2.4
84.96037	12.6
85.02899	3.0
86.06041	0.9
86.09695	2.7
87.04467	0.9
97.02895	3.2
98.97586	100.0
99.97908	2.0
102.96918	3.3
110.07151	3.0
110.97573	65.7
111.97906	1.0
112.99088	4.4
116.98628	53.6
120.97891	1.9
126.97085	1.0
127.03925	1.0
128.98610	86.5
129.10237	2.5
129.98929	1.3
131.00165	6.1
134.99655	19.0
136.06154	4.2
140.00224	0.9
140.98549	1.1
141.02301	0.8
143.00171	1.6
144.98055	2.5
145.01746	1.0
146.99655	44.8
148.00008	1.0
149.01239	2.5
149.02533	1.2
152.00070	0.9
152.98608	0.9
153.00690	3.1
158.99658	6.8
159.03290	1.6
160.03531	1.0
161.01228	1.9
161.04733	1.9
162.20049	0.7
162.99062	3.1
165.00754	4.1
166.05318	4.7
170.99611	7.0
173.12878	2.5
174.00934	2.8
177.00716	5.6
177.04295	1.5
178.01109	0.8
181.00035	2.7
182.03276	0.9
182.99646	1.9
183.85283	0.8
189.00717	14.2
192.01932	51.8
201.00728	8.1
202.01042	0.9
204.05551	1.4
207.01820	3.9
210.02991	44.2
211.03099	1.1
219.01781	10.3
220.01500	3.9
228.04007	5.0
231.01730	1.3
233.06761	12.4
233.56932	8.3
234.03006	18.2
234.06976	2.7
237.02795	11.6
238.02878	5.9
242.07358	0.9
246.02998	29.3
246.05118	1.5
248.04489	5.3
249.02835	1.9
251.15039	1.5
252.04073	12.5
255.03738	1.5
261.02814	2.2
264.04025	14.1
266.05533	1.6
279.03873	5.7
280.03885	2.4
282.05231	1.7
303.07263	1.0
305.09143	1.8
306.05182	2.3
306.09402	6.0
307.07004	1.0
321.04938	0.9
323.10110	2.4
324.06155	20.7
324.10437	10.2
342.07217	30.2
343.07385	1.0
351.08859	0.8
366.07162	37.0
366.11182	3.9
367.07471	1.5
384.08231	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63319	2.8
53.03941	8.0
55.01867	12.2
55.05500	5.9
57.03434	7.7
61.02925	6.0
67.05502	5.1
69.03429	40.6
71.04990	8.4
73.02917	7.6
74.90984	2.8
79.05512	6.1
80.54627	2.9
81.03421	24.8
81.07061	6.8
83.04986	3.7
83.08653	3.4
85.02907	100.0
87.00839	39.7
88.01102	2.9
91.05502	7.6
93.07047	7.4
95.04932	3.1
95.08588	5.8
97.02894	25.9
97.06521	2.8
99.04449	9.9
105.01868	65.2
105.07011	4.8
107.08597	5.7
109.02880	24.3
110.44946	3.3
115.03906	3.6
117.01943	3.7
120.08110	6.1
121.10156	4.2
127.02967	4.0
127.03919	63.9
129.01886	5.3
145.04980	30.7
145.10146	3.5
146.10555	3.8
147.02902	5.0
159.02919	11.4
211.27544	3.2
231.04961	19.9
335.08987	5.1
367.15665	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.7
53.64738	2.8
55.01860	7.4
55.05511	8.3
57.03434	10.1
60.97679	2.8
61.02931	4.5
67.05501	11.3
69.03074	5.8
69.03426	59.8
69.07063	5.5
71.04986	14.4
71.08636	3.2
71.30780	5.6
79.05492	11.9
81.03414	34.0
81.07050	18.7
83.01389	3.9
83.04990	5.9
83.08614	14.4
85.02901	63.0
85.06551	4.2
86.09701	5.0
87.00826	38.8
87.04468	5.0
91.05477	15.5
92.05795	3.0
93.07037	15.7
95.04961	4.7
95.08602	8.7
97.02892	65.5
97.06538	4.1
99.04443	27.0
101.02387	4.1
105.01849	28.2
105.07027	20.8
106.07345	5.0
107.04979	3.6
107.08598	17.0
108.08916	6.4
109.02877	14.1
109.06514	6.9
109.10160	6.4
115.03928	3.5
117.07001	5.0
119.08601	9.9
120.08104	4.3
121.06571	4.4
121.10134	8.6
122.14305	3.5
123.08064	7.4
125.09608	3.2
127.03909	100.0
129.06947	4.0
131.08577	8.3
132.08902	4.0
133.02861	7.7
133.10123	5.4
135.08037	8.2
137.05971	7.7
145.04942	57.9
145.10124	8.5
146.10423	3.4
147.08098	4.0
147.11687	6.8
149.09648	6.9
151.11150	4.4
155.08411	3.7
158.10510	3.7
159.11656	5.5
161.09639	3.7
163.11113	8.1
166.08635	4.5
167.07027	3.4
173.12891	8.7
175.11209	3.8
192.60446	3.4
213.03957	3.7
213.09497	4.7
231.05017	50.7
232.08813	3.1
236.60382	3.1
244.14201	5.2
249.06076	12.1
262.15137	7.4
294.53674	3.2
366.15341	15.5
367.11417	4.2
367.15677	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01874	7.9
55.05514	3.2
57.03437	5.9
60.04523	0.6
61.02932	6.8
65.74191	0.5
67.05497	1.5
68.99789	3.2
69.03428	35.0
69.07069	1.0
69.23711	0.9
69.24117	2.5
71.01344	0.5
71.04993	5.3
73.02919	7.0
79.05499	1.3
79.38042	0.6
81.03418	24.6
81.07060	1.1
81.98473	0.6
83.01376	0.6
83.04997	0.7
83.08622	2.0
85.02905	100.0
85.15659	0.4
86.03251	1.1
87.00831	43.1
87.04474	1.2
88.01195	0.8
91.03957	1.8
91.05468	1.3
93.07048	1.0
93.56130	0.5
95.04952	0.6
95.08588	1.4
97.02893	28.4
98.03244	0.8
98.22652	1.3
99.04453	13.0
101.02390	0.7
103.03945	1.2
105.01866	59.0
105.07017	0.7
106.02176	0.8
107.08558	1.3
108.04473	2.4
109.02878	27.1
111.08076	1.6
115.03927	1.7
117.01842	2.5
117.07070	0.7
123.02981	0.7
123.08105	0.9
126.05534	2.2
127.03913	63.1
128.04268	1.4
129.01842	4.5
135.08057	0.7
137.05974	0.6
141.09088	1.3
145.04959	30.0
147.02901	2.6
151.07552	1.4
159.02875	12.8
171.02925	0.9
177.03955	1.4
189.03925	3.2
191.10672	0.7
209.09908	0.5
209.11705	2.8
213.03975	2.0
228.14885	0.5
230.06639	1.1
231.04997	15.6
232.05382	0.6
248.07755	1.5
249.06082	3.4
295.11743	2.7
313.12830	1.0
335.09341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.64139	1.0
55.01875	4.3
57.03443	7.1
60.38553	1.5
61.02918	5.0
68.65656	1.1
68.99801	2.8
69.03430	38.4
69.33975	5.9
69.34380	2.1
70.03764	1.3
71.04998	4.5
73.02916	4.5
81.03416	22.7
82.03764	1.0
83.01379	1.5
83.08583	1.7
85.02905	100.0
86.03246	1.4
87.00833	49.1
91.05492	3.2
95.08618	1.2
97.02893	31.3
99.04481	10.7
105.01865	81.0
105.07063	2.4
109.02882	30.4
110.03144	1.2
117.01831	2.1
119.88744	1.3
127.03912	71.7
128.04280	2.4
129.01819	1.9
145.04962	34.5
146.05353	1.4
147.02855	1.4
159.02875	9.8
171.02913	1.5
189.03973	5.2
207.90781	1.1
213.03932	3.1
225.62967	1.2
231.04987	20.1
244.02621	1.1
248.07602	1.6
249.06041	8.1
252.78207	1.0
266.87985	1.1
308.74194	1.4
366.15399	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	366.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04802	2.1
53.03949	2.2
55.05515	31.4
57.07072	5.6
60.08177	4.1
65.03945	4.4
67.05509	66.6
69.07067	38.3
69.62386	11.8
71.08623	3.2
79.05495	13.9
81.07062	72.5
83.08618	13.3
85.06551	3.4
91.05502	9.3
93.07036	16.5
95.08615	53.5
97.10190	6.3
98.22697	3.6
99.04485	4.8
99.08107	4.7
105.07046	7.7
107.08583	10.9
109.06525	4.0
109.10149	21.3
119.08581	6.0
121.10135	7.8
123.08080	9.5
123.11716	5.2
133.10138	6.0
135.11694	3.2
137.13203	3.5
145.10141	3.1
151.14816	2.7
179.14270	10.0
204.05585	2.5
207.56578	2.7
216.41066	2.4
221.15355	7.6
293.21051	5.3
303.26563	3.0
307.26318	100.0
308.26694	6.6
316.42609	2.2
331.26224	11.5
337.37518	2.6
348.25656	2.9
349.23740	3.6
349.27396	25.4
366.10919	8.9
366.26868	3.9
366.33679	87.9
367.33887	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.6
68.97464	2.1
69.03442	2.5
71.07293	5.0
74.52053	2.2
82.40748	2.1
84.96062	2.5
85.02895	4.0
97.02880	3.0
98.97598	12.3
110.97549	6.6
116.98645	2.9
119.01923	4.8
120.70427	2.5
128.98630	4.6
155.01888	3.1
158.99622	2.6
163.02798	2.7
174.04512	2.8
201.00635	3.0
205.05640	4.8
219.01823	4.6
219.07254	2.7
220.67395	2.4
221.04968	3.3
237.02821	5.6
245.05113	3.9
251.04570	3.9
269.05319	3.0
307.08746	10.8
323.56625	2.8
325.07904	2.9
349.04361	2.6
367.10095	100.0
368.10349	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	367.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64758	3.5
70.79946	3.7
70.80263	4.5
87.48266	3.3
87.56812	2.7
105.87670	3.1
163.15660	3.3
168.55566	2.7
180.82466	3.0
205.05785	3.8
228.17200	3.6
338.93643	3.5
367.10049	100.0
368.10242	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	367.1502
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
55.01862	1.4
56.96571	2.9
57.03427	1.8
59.05000	0.8
60.04526	1.2
61.02919	2.0
63.05760	0.6
64.72692	0.6
69.03436	4.7
69.19302	5.1
70.06603	5.1
71.04970	0.7
72.08146	1.2
73.02919	0.9
73.68066	0.6
74.06087	0.9
81.03423	2.1
81.07080	0.8
83.04973	1.0
84.08134	1.7
85.02908	13.2
86.09697	1.0
86.90147	0.6
87.05577	0.6
91.05458	1.2
97.02911	4.7
98.97594	4.3
99.04428	1.2
102.96918	1.1
103.03911	0.9
103.05472	0.9
105.07041	0.7
109.02853	1.4
110.07169	1.2
110.97589	1.1
113.06036	1.1
115.05437	1.6
116.07095	0.7
116.98602	2.9
117.06996	0.8
118.06547	15.4
119.06884	0.6
120.08108	5.1
123.04469	0.9
127.03925	2.8
127.08670	1.8
128.98573	1.4
129.06960	1.0
130.06528	6.7
132.04404	0.9
132.08083	7.9
133.06094	0.8
134.99644	1.3
142.06552	2.5
143.00175	0.8
143.07304	4.2
144.08098	16.6
145.04945	2.2
145.07602	2.7
146.06017	47.4
146.99722	1.1
147.06384	1.5
154.06549	1.5
155.08186	1.3
156.08075	8.9
158.06120	1.2
158.09657	1.7
158.99707	0.8
159.09143	3.6
160.07579	5.4
167.07227	1.2
168.08099	3.6
170.06036	7.2
170.09706	0.7
171.06389	0.7
171.09106	0.8
172.07565	1.3
174.09102	1.0
178.05011	5.6
180.08128	0.8
182.06041	1.3
183.06789	1.1
183.09224	1.2
184.07608	4.0
186.09059	1.5
186.99156	1.3
187.08664	4.5
188.07076	100.0
189.07407	4.0
196.07539	0.9
200.07132	1.2
201.10272	0.8
202.08638	4.3
203.05264	6.7
205.09749	34.6
206.04494	8.9
206.10025	1.3
207.11269	2.1
208.07860	0.6
210.09077	0.8
212.07106	0.8
213.12321	1.5
217.09706	1.2
219.01852	1.7
219.06535	0.8
228.06639	0.8
229.09761	3.1
230.08134	26.0
231.08507	1.0
237.02811	1.8
247.10791	9.5
253.67206	0.6
258.11270	2.4
271.10767	1.0
276.12219	1.6
296.08920	0.7
303.10587	0.7
307.06906	0.7
313.11899	1.0
321.14490	0.7
325.10794	0.9
331.12924	2.3
332.11429	5.2
349.14105	2.9
350.12347	11.1
351.12686	1.3
367.10370	6.3
367.15018	5.1
368.14200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1884
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
56.96307	1.8
56.96570	33.4
69.61632	6.7
69.62036	3.4
71.95256	3.8
72.96030	1.7
79.05492	4.1
81.07053	11.8
84.96050	2.1
97.96836	1.8
98.23313	2.8
98.97570	2.6
105.07008	2.2
110.97585	6.9
113.69743	1.4
114.43568	1.4
115.00692	2.1
119.08570	1.9
128.98618	6.4
137.02686	1.5
146.99661	2.7
171.03317	2.6
183.03238	1.6
185.04897	2.7
197.04837	1.7
198.31993	1.3
199.06450	4.3
203.05858	3.2
205.07513	1.8
213.07986	13.8
217.07497	4.5
223.08418	1.7
225.07951	5.1
229.07669	1.9
231.09068	13.2
237.04546	1.8
237.07982	2.0
239.09547	4.7
241.11171	4.0
243.09035	4.1
251.09590	7.7
255.09113	9.5
257.10681	2.7
259.12244	8.0
267.08929	2.0
269.10596	37.6
270.11069	2.1
273.10159	6.0
279.09210	2.0
280.09753	1.8
286.81686	1.6
287.11630	18.5
297.10141	4.0
315.11032	2.0
331.15695	10.5
349.16888	20.7
367.17914	100.0
368.18289	6.7
385.19012	19.8
386.19363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.2
55.05513	19.9
56.96563	25.0
57.03436	15.1
59.05006	11.6
67.05512	35.1
69.07073	26.2
71.30413	9.8
79.05510	34.3
79.36191	6.9
81.04484	7.1
81.07075	67.1
82.87695	6.4
83.04988	7.9
83.08648	9.2
91.05500	32.0
92.85213	6.7
93.07063	44.5
95.04983	18.3
95.08607	41.4
97.06545	8.9
100.07674	7.9
101.06017	31.1
105.07030	32.7
107.04976	10.2
107.08608	29.5
107.34911	7.7
109.06522	19.8
109.10139	22.3
117.07013	14.4
119.08586	20.4
121.10126	19.2
123.11721	12.0
131.08609	15.4
133.02791	10.1
133.10153	33.5
137.05986	19.8
145.10144	8.7
147.11679	19.3
149.09590	10.9
159.08002	8.4
159.11732	12.8
161.13216	7.6
164.66039	8.5
165.12752	8.8
172.20174	7.1
173.13298	11.4
177.12695	7.9
182.22398	6.9
198.79488	7.8
227.05759	6.6
247.20920	9.3
259.12299	9.7
275.20035	33.2
299.23166	7.3
309.13687	12.9
331.15698	8.4
335.08939	7.9
347.16010	7.0
349.24176	8.2
367.11603	12.6
367.17883	100.0
367.25519	15.7
368.18558	8.2
387.06613	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	367.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	29.1
67.05515	5.7
71.11413	4.2
79.05489	4.9
81.07064	3.5
91.05468	2.9
93.07066	3.6
95.08584	3.6
98.97584	4.2
100.99084	2.5
110.97593	6.2
124.42611	2.6
128.98599	9.1
129.99355	2.5
131.04930	2.6
146.99625	5.6
148.00464	3.1
173.04890	4.5
185.04860	2.9
189.04259	3.9
197.01157	5.1
199.06400	13.5
201.00832	4.0
201.08022	6.1
203.05827	5.1
208.08824	3.0
211.06531	4.6
215.02293	3.7
217.07507	19.1
218.07227	3.7
227.05873	3.0
229.07495	65.1
230.07756	3.7
235.07599	2.9
241.07449	6.9
243.09007	4.4
247.08598	65.4
249.09003	3.5
253.73311	2.6
257.07016	7.4
258.07748	9.8
259.08612	8.6
276.08826	4.1
277.09097	3.8
279.10141	5.7
281.08075	4.1
307.09583	8.6
324.09891	3.9
331.15616	12.6
335.09116	11.6
339.12137	4.1
349.16751	14.2
367.11719	39.9
367.18021	87.7
368.12021	3.9
368.18518	4.8
385.19003	100.0
386.19211	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	367.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01864	1.3
55.05500	1.5
62.89083	0.3
67.05511	2.2
69.03424	1.0
69.07063	1.1
69.43614	2.2
71.04979	0.6
79.05498	2.3
81.03403	1.6
81.07058	3.3
83.04977	0.5
85.06534	1.2
91.05486	2.5
93.07039	3.8
95.04957	1.0
95.08617	2.3
97.06530	0.7
105.07027	2.1
107.04965	1.2
107.08591	1.8
108.88810	0.4
109.06514	0.5
109.10146	1.3
115.05421	0.6
117.07060	0.7
119.08609	1.3
121.10144	1.4
123.08066	0.5
125.06028	0.5
131.04929	0.6
131.08574	1.7
133.02879	0.6
133.10126	1.3
135.11754	0.8
137.05992	0.8
137.09618	0.7
141.07037	0.5
143.08568	0.7
145.10112	1.3
147.08090	0.5
147.11641	0.5
149.13301	0.4
157.10181	0.4
159.08064	0.8
159.11790	0.7
161.09590	0.7
165.05429	0.5
165.06982	0.5
175.14835	0.8
178.07776	1.2
189.07068	1.4
190.07761	1.0
191.08565	1.1
193.06616	0.9
194.07288	0.6
195.09959	1.1
202.07788	1.1
203.08511	0.5
203.14395	0.8
205.06546	1.6
206.07225	0.7
207.08054	1.0
208.08905	0.5
218.07271	3.9
219.08051	2.2
221.05992	1.0
229.15887	0.5
231.08073	0.5
233.05998	0.5
234.06734	1.6
235.07614	1.6
236.08240	1.8
246.06778	1.9
247.07565	2.6
248.08360	1.6
249.05629	0.7
249.09120	0.7
251.10558	0.7
261.09113	2.9
263.07062	1.1
264.07797	3.1
265.08444	0.8
274.06262	0.7
275.06973	0.6
275.20032	1.0
276.07852	0.8
277.08569	1.6
278.09366	1.5
279.10037	0.9
281.08044	0.6
281.13577	1.4
289.08658	2.8
291.06351	0.6
292.07343	2.8
293.08008	1.4
303.06607	0.4
305.08212	0.5
307.09702	3.7
308.10260	1.0
317.08099	1.6
320.06799	1.0
335.09128	21.2
336.09485	2.9
349.23923	0.7
352.09671	0.6
367.11749	6.1
367.20911	100.0
367.24500	4.3
368.12271	1.0
368.21201	7.9
368.25290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2454
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
55.05499	1.3
67.05527	2.4
68.64568	1.2
79.05524	1.4
81.07050	1.4
93.07061	1.7
107.08581	1.2
111.00500	1.6
113.68252	1.2
125.39319	1.3
157.39096	1.5
167.30357	1.1
195.09932	1.5
264.43704	1.3
293.20871	2.8
298.32376	1.4
367.24567	100.0
368.24838	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	367.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22871	1.1
67.05488	1.6
69.71039	4.3
81.07062	2.7
83.08658	1.2
91.05486	1.8
93.07072	2.0
95.04970	1.8
95.08607	1.9
105.07022	1.7
105.16986	1.2
133.10089	1.1
133.55019	1.1
229.07518	2.8
247.08662	1.8
293.21097	1.6
304.06479	1.3
324.29834	1.3
367.24570	100.0
368.24841	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	367.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94510	0.8
62.40229	0.7
67.05505	1.0
69.70225	3.3
77.99228	0.7
81.07063	1.6
89.96365	0.7
93.07085	1.1
98.23326	1.1
205.36404	0.8
275.20203	1.1
293.21194	2.1
367.24554	100.0
368.24927	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
53.37743	1.5
55.01889	8.4
55.05518	21.8
57.03436	16.0
57.07085	2.8
58.59370	1.5
59.05008	14.4
65.03954	4.0
67.05508	58.8
69.03436	4.2
69.07073	35.0
69.72713	1.3
71.04990	3.4
71.08651	2.5
79.05500	45.2
80.05850	1.9
81.03441	3.2
81.07063	100.0
82.07398	2.7
83.04990	6.2
83.08614	13.2
85.06558	5.7
91.05482	42.8
93.07047	40.6
94.04214	2.2
95.04989	10.4
95.08615	41.5
97.06535	12.3
97.10194	5.8
98.23466	2.8
99.04487	1.8
99.08109	4.5
99.11355	1.7
105.07042	42.5
107.04968	8.9
107.08606	27.2
109.06532	16.0
109.10168	20.4
111.08092	5.9
115.05451	3.2
117.07048	11.8
117.09163	2.7
117.92500	1.5
119.08589	31.8
121.06516	5.5
121.10140	17.2
122.03647	2.1
123.04432	2.0
123.07246	1.2
123.08069	7.9
123.11719	9.4
125.09666	5.7
129.07011	3.8
130.07887	2.0
131.08568	18.8
133.02859	1.9
133.06392	1.4
133.10130	24.6
135.08084	3.6
135.11742	9.3
137.05980	36.4
137.09633	6.6
137.13242	1.7
138.06367	3.0
139.11235	1.9
141.07036	2.2
143.08597	4.3
145.06569	2.1
145.10146	17.2
147.08058	2.0
147.11688	18.5
148.12065	1.4
149.06015	3.9
149.09604	10.6
149.13269	7.4
151.07549	1.5
151.11218	2.6
155.08546	3.6
157.10162	5.5
159.08099	2.0
159.11687	11.7
161.09633	3.4
161.13300	6.2
163.11198	8.8
163.14775	2.0
165.12764	3.8
169.10118	1.8
170.15457	1.4
171.11728	4.8
173.13258	7.8
175.07536	2.6
175.11256	3.8
177.12779	3.7
179.14395	1.5
181.06462	2.2
183.11696	2.1
185.13226	2.3
187.07623	2.2
187.14812	2.5
189.11284	2.1
195.13841	3.1
197.13309	2.6
199.14780	2.4
201.12833	2.3
202.07851	3.0
203.14325	1.9
205.12152	1.3
209.10977	1.4
213.09062	11.6
213.10551	1.1
217.10162	2.5
219.17436	2.4
225.09140	2.2
228.09308	1.7
229.10155	2.8
229.19586	3.2
233.09743	2.3
239.17987	4.8
245.09666	3.8
246.10385	2.1
247.07640	1.8
247.20573	4.7
248.08234	1.6
257.09689	2.9
257.19095	7.8
261.09100	3.1
262.09671	1.9
269.17493	1.7
274.09769	1.9
275.20074	42.4
276.20441	2.9
277.12305	2.1
285.09042	2.5
286.09509	1.5
287.10583	1.5
289.12283	3.3
293.21146	5.8
301.08588	1.6
302.09442	4.3
303.10126	2.8
317.11823	8.5
321.11273	3.9
331.22888	1.9
335.12805	3.7
349.14301	6.3
349.23682	13.7
367.15414	41.0
367.20789	7.3
367.24899	26.7
368.15845	5.0
368.24973	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19907	1.5
50.55258	1.5
53.03950	6.0
53.05215	1.5
55.01876	14.8
55.05515	31.9
57.03440	18.0
57.07082	3.4
59.04997	3.3
65.03947	5.5
67.05507	68.4
69.03423	4.7
69.07031	31.7
70.06617	2.0
71.04995	6.2
79.05495	54.1
81.03426	5.3
81.07060	100.0
83.04977	8.9
83.08617	17.2
85.02865	1.8
85.06553	4.7
88.07636	3.3
89.82767	1.8
91.05488	43.1
93.07051	43.0
95.04979	15.5
95.08607	45.5
97.06534	18.1
97.10192	4.7
99.08101	4.3
103.05431	2.0
105.07040	44.8
106.07346	2.0
107.04971	15.9
107.08601	34.4
109.06535	15.7
109.10165	22.2
109.10831	2.6
111.08095	6.0
117.07009	13.7
119.08588	34.2
121.06508	8.0
121.10151	21.3
123.08073	9.2
123.11707	8.4
125.09651	6.0
128.06204	2.4
129.07010	5.5
131.08568	19.2
133.02876	5.6
133.06483	1.9
133.10136	27.1
135.08054	6.9
135.11652	10.6
137.05945	4.2
137.09618	4.9
137.13335	1.7
139.07455	2.3
139.11148	3.2
143.08548	5.1
145.10123	24.4
147.08081	3.3
147.11703	22.4
148.11983	1.9
149.02344	7.9
149.09644	19.3
149.13272	7.6
150.02686	6.1
151.11201	3.6
157.10146	6.2
159.08073	1.7
159.11710	12.9
161.09526	1.7
161.13286	6.9
163.11160	19.1
165.12788	5.8
169.10152	3.9
171.10387	1.9
171.11720	6.3
173.13275	5.5
175.11191	3.4
177.12788	4.9
187.11255	2.6
187.14757	2.4
189.11264	2.2
191.10695	5.4
193.05008	7.9
194.05313	7.5
200.20200	2.3
201.20383	4.4
207.13933	2.0
213.09158	2.0
213.16412	3.1
215.17949	2.2
222.06471	2.1
229.19553	4.2
233.18991	2.7
239.18047	4.8
247.20700	2.7
257.19125	9.5
265.21497	2.4
267.24991	1.9
275.20078	55.3
275.22986	3.1
276.20380	5.2
293.21182	5.0
349.23624	17.2
350.23990	1.9
367.11346	2.4
367.15149	5.5
367.25110	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	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
50.80454	2.3
55.01865	3.4
55.05513	20.0
57.03434	6.7
57.07054	2.4
59.04987	3.1
67.05502	18.0
69.03436	4.0
69.07066	17.8
69.31966	2.3
69.70387	8.3
70.30818	2.0
71.08631	27.9
79.05499	15.2
81.03400	3.1
81.07060	15.3
83.04991	4.3
83.08626	6.3
91.05503	7.4
93.07044	10.8
94.33753	2.4
95.04982	6.3
95.08609	7.5
97.06535	2.9
97.10171	6.8
99.08112	19.8
103.61234	2.3
105.07011	3.8
107.04914	2.6
107.08594	7.3
109.06549	2.7
109.10162	5.0
111.08035	2.7
117.06976	2.9
119.08572	3.1
121.06521	2.3
121.10161	3.8
123.08073	3.1
125.09666	6.7
133.10103	3.0
134.71336	2.5
135.11647	2.7
138.29176	2.3
145.10130	2.4
167.10672	5.3
177.12907	3.5
189.11238	2.6
196.82190	2.5
275.20023	4.7
288.28806	4.0
293.21103	100.0
294.21490	9.8
349.24026	3.1
367.24701	27.6
368.31360	6.2
374.32059	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.3
55.05505	23.2
57.03466	5.4
57.07072	13.4
58.84880	4.7
59.04994	7.1
61.83618	5.8
67.05509	50.9
69.03438	8.0
69.07079	39.1
70.39116	14.3
76.96065	5.2
79.05499	40.2
81.07063	67.0
83.04983	5.7
83.08623	13.6
85.06580	8.8
88.07622	16.6
90.08317	5.3
91.05479	56.1
93.07045	81.8
93.72089	4.5
95.04965	36.3
95.08603	67.2
97.06548	19.1
97.27991	6.0
105.04522	5.2
105.07034	99.0
106.08664	27.8
107.08602	71.9
109.06531	15.2
109.10160	41.4
117.07022	26.3
119.08584	100.0
120.08944	5.4
121.06523	12.4
121.10139	44.8
123.08060	6.0
123.11721	16.8
128.06253	8.7
129.07025	15.7
130.07803	10.9
131.08583	61.9
133.10141	62.7
135.08060	18.3
135.11708	26.0
137.09634	6.2
141.06989	8.9
142.05202	6.0
142.07813	18.9
143.08582	35.4
144.09352	15.5
145.10135	74.9
146.07213	9.3
147.08043	13.5
147.11687	30.2
149.09647	16.1
149.13293	7.6
155.08597	16.9
156.09337	15.8
157.10130	53.8
158.10849	10.7
159.08040	8.2
159.11719	36.1
161.09644	51.7
161.13243	13.2
163.11197	9.5
165.07040	9.2
165.98975	5.6
167.08595	7.2
169.10106	18.3
170.10872	8.0
171.11732	29.8
173.09659	7.4
173.13248	29.5
175.11166	7.7
175.14853	21.9
179.08698	11.9
181.10129	7.8
182.10785	6.3
183.11726	24.7
185.09598	9.4
185.13315	17.5
187.14857	16.3
193.10268	5.5
194.10851	8.8
195.11603	10.8
196.12560	6.0
197.13319	17.3
199.14853	14.9
207.11717	5.5
209.13225	25.4
211.14827	6.8
223.14781	6.5
227.14368	10.1
251.18147	6.4
255.17438	5.9
269.22482	5.8
300.77914	5.1
308.26776	5.8
367.10696	6.7
367.26212	17.9
367.33655	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	368.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64853	1.3
53.03946	6.6
54.21936	1.2
55.01885	6.3
55.05465	1.4
56.45461	1.4
57.03431	3.8
60.04539	2.0
61.02938	7.1
62.06096	1.7
65.39824	1.2
68.16331	1.2
69.03436	28.7
69.07072	11.7
69.48196	7.3
71.04994	5.2
73.02914	5.8
81.03426	18.2
85.02914	81.5
85.06541	4.1
87.00838	30.0
91.03966	3.0
94.06548	1.4
95.04983	2.1
97.02900	40.6
98.97589	1.8
99.04452	10.2
102.96823	1.3
103.07514	1.5
105.01879	49.0
109.02897	18.5
109.06546	2.0
109.93345	1.4
110.07159	5.3
111.04480	2.3
115.03892	1.8
117.01885	2.8
120.08102	4.1
120.99544	3.5
125.13213	1.3
127.03925	59.6
128.04250	1.2
129.01817	1.8
145.04964	37.6
147.08080	1.2
150.61240	1.3
159.02919	12.7
167.67960	1.2
172.09703	3.3
185.04276	3.8
189.03979	2.0
206.04524	7.1
207.06339	11.1
207.11378	1.8
213.03918	2.8
218.05663	2.1
231.05035	11.7
249.06087	5.3
297.34125	1.6
346.49234	1.5
352.11469	2.7
369.11569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.7
53.83038	1.4
54.31410	1.6
55.01880	9.8
55.05515	4.3
57.03442	8.8
61.02938	9.2
62.39534	1.5
65.06798	1.5
66.18604	1.4
67.05506	6.8
68.99798	3.8
69.03434	37.9
69.07081	3.5
71.05006	7.5
71.30656	1.4
72.02804	1.3
73.02927	6.4
79.05503	5.7
81.03416	24.5
81.03851	1.8
81.07060	11.7
83.05010	2.4
85.02910	100.0
85.06555	2.9
87.00838	40.6
91.03963	2.3
91.05506	5.5
93.07039	9.3
94.07350	1.6
95.04449	1.6
95.04969	8.4
95.08613	4.7
97.02896	30.8
97.06530	2.7
99.04465	13.1
101.02386	1.8
103.03955	1.8
105.01869	72.1
105.07044	7.1
107.04951	4.2
107.08615	3.9
109.02875	26.7
109.06523	5.2
109.10197	1.5
111.04438	1.6
117.01871	3.4
119.04989	4.3
119.08680	2.4
120.09049	1.6
121.10152	3.8
127.03923	69.9
129.01825	3.6
129.06992	1.7
131.08623	3.7
133.10207	2.2
135.08066	1.5
135.11681	2.5
137.06007	5.2
141.05594	1.8
145.04976	33.8
145.06178	2.3
145.06610	1.4
145.10155	5.8
147.02985	2.4
147.04424	4.4
147.08044	1.7
147.11667	1.7
148.48558	1.5
149.09619	2.7
151.07568	2.8
159.02896	13.4
163.11215	2.1
165.07063	1.5
171.02936	1.8
175.03920	4.4
179.10866	1.6
187.11163	3.5
189.03958	3.5
189.12878	1.6
191.10669	2.2
194.07413	1.9
199.07542	1.7
202.07925	2.0
203.08611	3.1
205.06596	2.1
206.07098	1.8
207.06535	9.7
207.08226	2.0
209.11751	3.1
213.03934	3.6
218.07216	2.3
219.08179	3.8
220.08914	2.8
222.06639	2.0
231.05043	19.7
231.07634	2.4
234.06677	2.9
235.07487	3.6
236.08188	1.8
237.09006	1.9
247.07628	2.0
248.08383	2.6
249.06082	5.6
249.08966	1.8
251.07141	2.3
252.07890	2.1
263.06943	2.1
264.07904	2.0
265.08609	5.3
266.09409	2.4
276.07938	2.2
277.08545	1.5
278.05960	2.1
278.09235	1.7
279.10074	1.8
281.11737	1.7
291.10178	5.3
293.08096	4.2
294.08878	4.8
295.09653	2.0
303.20602	1.7
307.09760	3.5
309.11179	4.6
319.09482	2.9
322.08417	2.0
337.10724	40.9
368.12039	3.5
368.21594	2.0
369.13190	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	368.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01871	8.0
56.05727	1.6
57.03423	5.5
61.02921	6.8
67.05509	1.8
68.99789	3.1
69.03081	2.4
69.03432	33.8
69.09681	14.0
71.04970	3.1
73.02915	5.1
74.69273	1.4
79.05479	2.0
81.03419	21.4
81.07082	2.5
84.72888	1.4
85.02906	100.0
87.00835	41.0
91.03983	2.2
95.04938	1.5
97.02897	27.4
99.04457	12.8
105.01867	62.1
109.02882	22.7
117.01846	2.1
126.05501	2.1
127.03918	62.4
128.04271	3.0
129.01807	2.9
140.89684	1.5
145.04956	30.3
147.02879	2.8
159.02913	13.5
184.88028	1.6
189.03979	4.0
213.03957	2.5
231.05014	14.4
232.05426	1.7
249.06157	4.6
280.33664	1.5
333.51801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05510	7.9
57.07067	3.4
57.60813	1.0
67.05500	8.3
69.03426	4.7
69.07072	7.5
70.76588	1.9
71.08633	1.5
72.04519	100.0
73.04875	1.1
76.94506	1.0
79.05493	6.5
81.07061	8.0
83.04986	2.3
84.80814	0.9
85.06542	1.6
91.05486	5.7
93.07063	14.1
93.67881	0.9
95.04972	4.4
95.08617	4.2
95.63673	1.1
97.02900	13.8
97.06566	1.7
97.10184	4.5
99.08100	1.4
100.07648	2.1
103.84303	1.0
105.03722	5.9
105.07033	4.2
107.08597	3.3
109.06529	1.1
109.10168	2.2
111.04442	6.3
113.05981	2.5
114.09167	9.9
115.01741	1.1
119.08582	3.4
121.06529	9.6
121.10159	11.9
122.29801	1.0
123.04433	26.0
125.05958	1.3
128.10762	4.8
129.07008	1.6
131.08566	11.5
133.10132	2.2
135.08058	3.5
139.11179	2.9
142.12285	2.1
147.08046	3.2
149.09612	12.1
160.91457	1.1
161.13258	4.0
165.91309	0.9
165.98436	1.0
167.10661	15.7
171.11647	1.0
178.12300	1.3
184.16969	65.3
185.17320	3.5
189.12807	4.0
199.11130	1.4
202.18025	85.1
203.18381	3.9
207.13802	1.3
235.13251	3.8
253.14377	13.9
262.18024	2.2
264.09927	3.5
280.19067	35.7
281.19385	3.2
368.12933	17.3
368.27914	3.9
369.13281	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	368.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.9
55.05754	1.9
57.07074	4.2
67.05503	6.3
69.03429	4.0
69.07076	6.2
70.15768	5.8
71.08620	2.7
72.04521	100.0
79.05480	7.3
81.07067	5.0
83.04991	2.7
84.07123	1.9
91.05487	4.0
93.07075	11.0
95.04974	2.8
95.08614	3.6
97.02905	12.2
97.06562	2.4
97.10142	4.7
110.79305	1.8
111.04456	3.6
113.06039	3.3
114.09178	10.2
121.06499	5.9
121.10166	10.5
123.04417	1.9
128.10739	3.9
131.08597	11.0
142.12218	2.1
149.09622	14.7
167.10675	19.0
184.16992	57.2
202.18036	81.7
203.18385	2.8
368.27930	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	369.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33384	12.1
55.01869	14.1
56.05018	12.7
70.06596	97.8
71.31126	18.3
72.08165	16.2
72.25298	12.3
73.53783	10.0
79.01913	11.6
83.06093	15.6
84.08152	13.4
84.92731	11.3
86.09698	28.8
91.05485	19.9
110.07164	100.0
110.99436	11.1
111.07520	13.8
117.03401	22.0
122.07114	17.7
131.04892	15.5
135.04411	17.2
137.05992	16.2
145.02850	26.1
148.07578	22.4
153.05495	35.4
153.61501	13.8
156.07738	18.6
163.03960	21.5
167.07034	16.2
173.02280	20.3
177.05475	43.7
180.04149	17.2
195.06601	13.4
197.39139	10.4
205.04977	27.5
207.06644	29.5
208.09708	14.0
223.04245	25.3
223.06140	13.9
237.13539	17.9
252.07401	11.1
369.07559	23.3
369.11429	96.1
369.22510	25.8
370.15280	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	369.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	34.2
61.02925	7.4
69.03434	15.5
70.06599	8.9
71.28913	11.3
71.97180	6.1
81.03443	7.8
85.02917	34.5
97.02888	14.3
98.97586	100.0
101.00871	12.8
103.98444	5.8
110.83378	7.5
110.97560	14.1
112.89599	9.7
116.98605	33.5
119.01924	23.4
127.03893	10.2
128.98628	24.5
131.01923	12.1
143.00208	14.5
145.04922	7.4
146.99638	20.0
147.03215	12.7
158.99681	32.4
160.97533	6.9
161.01198	8.6
161.02968	11.1
162.99414	6.8
165.00786	6.9
170.99667	11.7
173.02968	8.5
175.02820	5.8
177.00749	43.7
189.00768	25.3
189.02415	11.7
201.00748	15.3
207.01859	16.0
207.05148	10.4
208.58069	6.3
219.01704	31.5
219.05315	10.0
225.02676	8.8
237.02792	17.5
240.90112	6.3
249.02730	14.4
279.03934	13.1
309.08685	37.0
313.37036	6.8
369.05783	7.6
369.09879	69.1
369.14441	8.3
379.09076	6.3
392.60419	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	369.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84119	0.4
56.96567	100.0
58.96994	0.5
70.06604	0.5
70.34735	1.4
71.95264	1.8
72.96047	4.7
74.62218	0.4
74.97626	1.6
83.97634	3.7
84.96043	0.5
85.02942	0.6
85.25953	0.4
91.05509	0.7
97.02866	0.4
98.97584	0.9
112.97938	0.5
120.08170	0.8
121.73593	0.5
137.90265	0.5
144.96831	1.7
149.02776	1.1
162.97891	0.5
163.00693	1.6
164.38287	0.5
165.02203	2.2
167.03767	1.3
168.00882	0.5
171.87436	0.4
176.03845	12.7
176.24933	0.4
177.02234	1.2
178.05397	10.6
178.06868	0.9
179.00172	1.7
181.01741	1.8
183.03284	7.4
186.02333	1.3
190.01801	1.3
192.03278	2.6
194.04900	6.0
195.03249	0.6
195.73273	0.4
196.06462	8.0
197.01245	1.7
199.02943	0.6
201.04349	5.7
204.03294	6.7
204.51024	0.4
208.02831	8.0
209.03226	0.5
210.04381	1.7
219.05377	0.9
222.04379	53.6
223.01443	0.5
223.04796	1.8
226.03885	4.3
233.91417	0.6
240.05437	52.4
241.05743	1.8
241.35583	0.5
245.05962	2.2
258.06720	0.5
263.07111	0.9
265.06290	0.5
310.04733	0.5
324.09000	1.3
351.10205	5.3
369.11240	41.6
370.11588	3.9
387.12234	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80241	0.4
55.01878	0.6
56.96573	0.5
57.03432	0.7
61.02933	0.9
67.05503	1.2
69.03431	2.8
69.07072	7.7
70.06576	1.1
71.04987	1.3
71.30557	0.7
81.03414	1.3
81.07059	1.1
85.02911	8.8
85.06553	0.6
86.03239	1.0
87.00833	1.0
87.04484	0.5
91.05452	0.6
97.02920	2.5
98.03270	0.6
99.04491	0.7
102.96866	0.6
105.01856	1.9
105.06968	0.6
109.02901	0.8
109.06567	0.5
110.07193	1.0
119.08583	0.7
120.99573	1.5
127.03907	3.3
128.04245	1.0
137.05864	0.5
139.00616	0.6
143.62402	0.4
145.02875	0.8
145.04977	2.3
147.04417	0.7
148.07594	1.3
148.08714	0.6
166.08618	0.6
167.05621	0.8
171.09195	0.8
171.13835	0.5
174.06586	0.5
177.05515	1.0
185.04193	3.7
189.12766	1.1
192.07530	0.5
206.05540	5.0
207.06305	10.0
208.09612	1.0
218.05699	1.5
232.05421	0.5
234.99181	0.5
240.92656	0.5
249.13669	0.4
257.07489	0.5
327.09485	0.5
352.11499	1.9
369.11560	100.0
370.11072	4.2
370.15240	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03941	1.9
55.01875	2.4
57.03437	6.5
61.02913	1.2
65.03936	1.6
67.05508	0.8
68.99785	0.7
69.03432	6.6
70.06586	1.4
70.61691	1.0
71.01350	5.3
71.04995	1.3
72.08131	0.6
73.02921	8.0
75.04466	1.3
79.05504	2.2
81.03419	11.9
81.07066	0.9
83.01361	0.9
83.04985	1.0
85.02908	18.4
86.03221	0.5
88.85516	0.5
89.03910	0.7
91.05483	100.0
92.05802	2.4
93.03402	0.5
93.07032	0.5
95.01336	6.7
95.04958	1.9
97.02898	5.3
99.00829	1.9
99.04470	2.0
101.02423	2.6
103.03942	1.7
103.05470	2.2
105.03403	0.8
105.07029	13.2
107.04949	1.5
109.02882	5.3
109.06498	0.6
111.04420	0.6
112.02197	0.9
113.02373	6.9
113.33985	0.5
115.05466	2.7
117.05489	0.7
118.04141	1.4
119.04955	15.1
120.08130	0.9
122.03667	0.8
123.04406	2.7
127.03928	2.2
129.05443	0.5
129.07007	0.9
131.03398	2.8
131.04927	1.3
132.02100	1.0
133.06485	13.6
135.04457	0.8
137.05992	10.7
141.01836	10.1
141.06987	0.7
143.06055	1.1
145.04968	0.9
145.06491	0.6
147.04413	11.9
148.51099	0.5
149.02377	0.7
151.03918	0.9
151.07692	0.6
153.05470	4.4
153.06638	0.7
155.07056	0.9
157.03969	1.2
159.02902	2.3
159.06590	0.8
159.07977	0.7
161.05986	22.0
162.06412	1.1
163.03923	0.6
165.09155	0.5
167.07025	3.6
169.04956	5.2
169.06282	0.9
175.03918	17.3
175.07349	0.6
176.04387	0.8
177.05536	1.4
179.07051	1.1
187.06023	1.3
187.07565	1.1
190.06146	0.5
191.07115	0.6
191.61249	0.5
192.04239	0.6
193.08609	23.6
194.08984	1.5
197.04523	1.8
200.04486	0.5
207.06522	33.0
208.06938	0.9
208.13274	0.5
215.05486	7.2
225.07683	0.9
235.09723	2.2
277.11194	0.6
315.08728	0.8
337.10464	1.0
351.10751	10.2
352.10947	0.6
369.11127	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	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03951	9.2
55.01883	7.0
55.05510	28.5
57.03436	6.8
57.07084	13.4
58.06582	7.6
59.00885	4.9
62.10146	5.0
65.03944	21.6
67.05505	27.9
68.70879	5.6
69.03409	12.9
69.07068	20.3
69.83042	21.1
70.06599	17.1
70.72786	4.6
71.04984	6.9
74.09721	13.0
79.05508	19.2
81.03425	17.4
81.07056	33.1
83.04996	7.2
83.08640	32.7
85.02927	9.2
85.06544	8.7
91.05471	34.1
93.03396	6.5
93.07062	26.6
93.95789	5.4
95.04960	11.9
95.08610	26.0
97.06541	5.7
98.06076	7.3
99.04454	7.9
100.11258	52.2
103.05512	11.0
105.07044	24.1
107.04989	14.1
107.08597	23.6
109.06528	6.3
109.10166	16.7
110.03658	13.2
111.04440	19.8
111.08112	7.0
119.04952	11.1
119.08587	24.1
121.10154	14.2
125.06000	19.4
126.09168	6.6
131.04910	6.2
131.08530	8.9
131.30171	6.1
132.04520	5.4
132.05701	5.1
133.06500	7.6
133.10153	20.2
135.11736	11.8
137.06017	22.0
140.10718	11.3
143.08559	8.2
143.16072	5.6
145.10072	10.9
147.04437	18.4
147.11711	8.0
151.07573	8.5
153.05504	35.9
156.13841	52.8
157.14157	12.4
159.08049	8.7
159.11702	8.7
161.05986	17.1
161.09625	7.6
162.06709	5.7
165.07101	6.5
167.07138	13.2
168.10190	11.3
168.13844	29.1
175.03957	25.8
175.07552	10.9
177.05402	9.4
178.07816	6.5
179.08614	8.9
182.15620	6.2
184.13358	41.6
184.17055	9.7
185.06133	8.1
185.13676	9.7
187.14761	8.5
189.07036	11.6
191.07039	8.0
191.08601	13.8
199.07486	32.8
201.19737	6.2
202.07834	6.9
205.06570	7.6
206.07338	6.7
207.06544	44.5
207.08234	12.6
210.14951	16.3
216.05986	5.4
216.07742	26.1
218.07277	11.9
219.08084	20.0
220.08850	16.6
221.05968	8.7
228.16017	9.6
229.08527	13.7
231.08009	14.1
233.05960	7.0
234.06746	15.4
235.07590	31.7
236.08325	10.5
237.09103	13.7
247.07648	21.6
248.08101	11.4
249.05519	7.6
249.09155	19.8
250.09795	8.8
251.07045	13.0
251.10771	19.0
254.42305	6.9
259.07648	10.8
262.06281	9.0
263.07043	16.5
264.07855	28.0
265.08612	21.6
266.09393	6.4
267.10056	7.2
275.06927	7.4
276.07840	15.7
277.08621	23.7
278.09470	8.7
279.06567	8.0
279.10117	14.1
281.08255	8.7
281.11664	10.7
283.09674	6.9
291.06750	6.2
291.10074	11.8
292.07217	9.4
293.08029	18.7
294.08749	15.0
295.09564	10.1
295.20239	8.9
296.20456	10.3
305.07959	11.5
307.09680	56.1
308.10370	18.1
309.07651	7.4
309.11176	21.6
311.09512	9.3
311.12656	36.0
311.23163	7.4
319.09647	15.8
320.82718	6.7
323.09100	10.0
323.27182	7.3
324.09848	8.7
336.09976	8.0
337.10687	74.1
338.11252	9.3
339.12253	55.7
341.14005	11.3
345.04623	18.8
351.11908	10.4
351.25229	9.6
354.10782	7.1
368.29102	23.7
369.13391	100.0
369.22504	43.4
369.28802	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	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.47269	0.5
55.01707	0.5
55.01953	1.5
55.05346	0.4
55.05581	1.0
57.03499	0.6
63.03543	0.4
67.05256	0.5
67.05576	1.2
69.03499	1.2
69.07147	1.1
69.26057	2.9
71.05078	0.5
71.42553	0.4
79.05595	2.0
81.03525	3.2
81.07149	1.9
83.05055	0.6
84.91133	0.4
85.02998	0.7
91.05582	2.7
93.07149	1.5
95.05058	0.8
95.08708	0.5
97.02969	0.6
97.06618	0.6
99.04546	0.5
103.05591	0.6
105.07147	1.4
107.05080	1.8
107.08713	0.7
109.03011	1.3
109.10264	1.3
115.05532	0.8
119.05069	1.4
119.08675	1.1
121.06576	1.0
121.10276	0.5
127.03936	0.5
128.06261	0.8
129.07161	0.7
131.05037	2.0
132.05846	0.7
133.06593	1.0
133.10239	0.5
135.04622	0.5
137.05994	2.5
137.09686	0.7
144.05841	1.0
145.06558	1.0
145.10271	0.5
146.62856	0.5
147.04399	2.3
147.08171	0.5
149.06068	0.6
152.06279	0.8
157.06573	0.7
161.06128	1.7
161.09633	2.4
165.07013	2.8
165.09222	1.3
166.07877	1.3
167.07196	0.8
167.08653	0.6
173.04659	0.6
175.04012	1.3
175.07579	0.9
177.05576	0.6
177.07079	1.4
178.07776	3.7
179.08688	1.6
181.05182	0.7
181.06458	2.1
181.10152	0.5
182.07376	0.5
187.07541	0.7
189.05640	0.7
189.07001	2.1
190.07813	2.7
191.07010	0.7
191.08549	4.5
192.04256	0.6
192.05840	0.5
192.09383	0.9
193.06685	1.2
193.10172	0.8
194.07286	5.1
195.06615	0.5
195.08083	2.5
199.07622	0.7
202.07788	4.3
203.08533	4.3
204.09323	1.0
205.06488	4.4
206.07292	2.5
207.06395	2.7
207.08211	3.7
208.05348	0.8
208.08975	1.7
209.06137	1.0
209.09753	1.8
210.06956	1.0
211.07594	0.9
215.08731	1.1
217.06538	0.9
218.07281	3.8
219.08063	7.5
220.05319	1.1
220.08798	3.3
221.06012	3.2
221.09535	2.4
222.06761	4.2
223.07529	3.9
224.08372	1.2
229.06622	0.5
230.07394	1.3
231.08055	6.6
232.08878	1.9
233.05965	2.3
233.09735	1.5
234.06749	3.9
234.10419	0.7
235.07526	7.4
236.08284	3.1
237.05585	1.0
237.09084	4.7
238.06421	1.4
238.09946	1.2
239.07182	1.1
243.08102	0.6
245.06061	0.7
245.09814	0.8
246.06743	2.1
247.07549	6.6
248.08340	7.6
249.05431	1.0
249.09149	6.0
250.06183	4.0
250.10039	1.9
251.07040	6.1
251.10759	1.5
252.07800	2.9
253.08546	0.8
258.06833	1.0
259.07590	2.0
260.08383	1.0
261.05496	1.0
261.09106	2.6
262.06229	2.3
262.09946	1.9
263.07059	4.1
263.10626	2.3
264.07816	4.1
265.08591	13.5
266.05875	1.1
266.09430	4.5
267.06705	0.8
267.10080	1.1
274.06271	0.9
275.07123	1.3
276.07861	3.9
277.08484	3.1
278.06058	1.0
278.09442	2.6
279.06625	2.4
279.10223	3.7
280.07285	1.3
280.10904	1.5
281.11594	1.0
282.08966	1.0
283.09747	0.7
289.04984	0.8
289.08270	0.7
290.09366	1.0
291.06839	0.7
291.10138	11.1
291.13245	0.8
292.07394	0.8
292.10626	1.3
293.08124	6.8
294.08829	5.8
295.09540	3.1
296.10236	0.6
305.08118	1.8
307.09659	4.8
308.06912	0.9
308.10388	2.1
309.07779	0.4
309.11166	13.0
310.11707	1.1
311.09320	1.0
311.12848	1.3
319.09668	7.2
322.08356	2.3
323.09268	2.2
324.10034	0.6
325.10657	1.0
333.24429	0.8
336.09772	0.6
337.10693	100.0
338.11212	11.5
339.12280	2.9
351.11978	1.0
351.25302	0.9
354.10953	0.8
369.13281	24.6
369.22229	4.0
370.13556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
65.03934	0.6
67.05511	0.6
69.03432	1.6
69.07050	0.4
70.53626	1.0
71.05006	0.6
79.05515	1.3
81.03421	1.2
81.07067	0.6
84.87482	0.4
85.02913	0.6
91.05479	3.0
93.07069	0.8
93.88647	0.4
95.04978	0.8
95.08626	0.5
96.20844	0.5
103.05473	1.1
104.27485	0.4
105.07037	1.2
106.04224	1.0
107.04980	0.5
109.10198	0.4
117.07068	0.5
118.04144	0.7
119.04927	3.2
121.06548	0.7
121.10178	0.6
122.03671	0.4
129.06969	0.7
131.04939	1.4
132.05638	0.8
133.06508	1.9
133.10167	0.5
135.04480	0.5
137.05977	2.6
145.06523	0.5
147.04436	1.6
149.06013	1.5
151.07541	0.5
160.05228	0.6
161.03122	0.5
161.05998	2.3
161.09656	0.7
163.07533	0.5
165.09097	0.7
167.07109	1.1
175.03886	2.7
175.07571	0.9
177.05516	2.4
179.07047	1.0
181.05072	0.8
189.08931	1.3
191.07031	0.5
192.07927	0.8
194.02667	0.5
202.07924	0.6
203.05269	14.8
204.05580	0.4
206.07234	0.5
207.06503	6.1
207.09985	1.8
219.08139	0.6
231.08005	0.8
235.07538	0.6
237.08882	0.5
248.08342	0.5
249.09230	0.4
263.07141	0.5
264.07898	0.7
265.08676	0.6
277.08673	0.9
291.09943	0.5
293.08057	0.5
306.08981	0.5
307.09497	0.7
309.11237	0.8
311.12839	0.5
323.09192	0.6
337.10727	4.9
339.12537	0.8
351.11176	0.6
369.15234	100.0
370.15567	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	369.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79002	1.0
53.03932	5.3
55.01873	28.5
55.05511	8.7
57.03425	4.7
57.07065	3.9
61.02924	3.9
65.03936	7.1
67.05506	51.8
69.03435	11.2
69.07072	19.9
70.63412	1.8
71.01349	4.3
71.04994	41.7
71.94524	1.0
73.02921	7.9
77.03925	2.5
79.05494	43.8
81.03429	4.2
81.07057	100.0
82.07395	3.2
83.01337	2.4
83.04986	16.7
83.08610	1.4
84.02074	1.2
84.08141	1.9
85.02908	23.4
85.06544	57.4
86.03203	1.1
86.09709	1.4
91.03946	1.8
91.05482	34.4
92.05798	2.1
92.93856	1.0
93.07045	54.8
94.07385	1.4
95.01301	1.3
95.04968	91.5
95.08593	9.7
96.05289	1.9
97.02878	2.3
97.06532	25.3
99.04458	4.8
101.02383	23.4
103.05475	2.2
105.07028	58.0
106.07324	1.4
107.04942	15.6
107.08594	28.5
107.09286	2.2
108.08971	1.5
109.02881	1.6
109.06519	70.0
109.10140	3.2
110.06124	1.1
110.06829	1.8
111.04434	5.8
111.08091	7.2
111.11715	1.6
113.02387	2.6
113.06004	15.7
113.20147	1.1
115.03923	1.2
115.05417	1.8
115.07573	1.2
117.06997	9.2
119.03420	5.3
119.04952	3.2
119.08585	20.2
120.08928	1.2
120.63393	1.0
121.06506	12.6
121.09281	2.4
121.10145	34.0
122.10458	1.8
123.04444	8.9
123.08075	8.1
123.11700	13.2
125.06004	9.3
127.03895	2.6
127.07557	33.7
128.06206	1.6
129.01944	1.1
129.07005	5.1
130.07790	5.6
131.08568	27.9
133.06499	8.4
133.10143	4.9
135.04381	5.2
135.08110	6.1
135.11699	13.9
137.05975	41.0
137.07039	2.4
137.09573	1.9
139.07509	5.6
139.11172	3.2
141.05469	4.5
142.07806	1.1
143.03383	8.1
143.08588	6.0
144.09232	1.7
145.02859	1.4
145.06499	4.6
145.10124	64.2
146.10443	2.4
147.02892	17.0
147.08081	6.1
147.11685	5.4
149.06013	4.4
149.09622	16.4
151.07539	22.4
153.05449	3.4
154.07758	1.4
155.07028	8.9
155.08475	2.4
158.07222	1.6
159.07980	1.6
159.10306	2.0
159.11674	15.0
161.04466	9.0
161.08435	1.2
161.09673	5.2
161.13208	3.0
163.07529	2.2
163.11182	33.7
165.09210	2.1
167.07059	1.3
167.10672	1.6
169.10133	4.9
171.02870	5.1
171.11749	1.8
173.09615	20.7
173.96579	1.1
177.05507	2.4
177.11301	2.0
177.12766	5.0
181.12250	6.0
184.49263	1.1
187.07660	1.3
187.11188	36.5
189.09128	1.9
189.12747	8.2
191.10670	56.1
192.11021	3.6
195.06439	2.4
197.08087	1.6
197.09682	2.2
205.12215	20.3
207.13780	7.6
209.11736	34.5
210.11980	2.2
213.07605	3.2
215.08841	2.0
215.10689	22.8
223.13202	1.6
227.08986	1.2
233.11739	27.0
234.12125	1.6
243.08685	7.4
251.12781	10.8
253.07094	3.3
257.10175	3.3
259.07819	1.9
269.10312	4.3
291.12265	4.9
305.13931	8.2
309.09961	1.8
309.13297	35.6
310.13699	3.7
323.14929	20.6
323.84451	1.2
324.15271	2.2
327.14487	7.9
333.13321	6.4
351.14346	38.3
352.14673	4.0
369.15274	17.3
369.19272	3.5
371.74530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01874	25.8
55.05513	11.3
57.03432	3.7
57.07062	1.8
61.02914	4.1
65.03940	4.9
67.05505	57.3
68.05866	1.4
69.03432	9.3
69.07068	19.1
71.01367	5.7
71.04994	38.2
71.21213	1.4
72.26170	1.1
73.02928	9.2
77.03931	1.3
79.05495	47.2
80.05786	1.2
81.03423	3.7
81.07059	100.0
82.07388	2.3
83.01331	3.6
83.04983	15.0
85.02910	3.6
85.06547	46.5
91.03970	2.0
91.05484	27.5
93.07047	57.7
94.07378	2.6
95.04972	95.8
95.08607	11.9
96.05291	2.2
97.02856	1.5
97.05907	1.3
97.06536	24.9
99.04483	5.8
101.02377	22.4
101.06016	1.3
103.05488	1.5
105.04504	1.2
105.07033	58.8
106.07349	1.2
107.04280	1.3
107.04961	15.9
107.08598	31.0
109.02857	1.2
109.06524	71.0
109.10137	2.9
110.06854	2.9
111.04445	4.7
111.08065	7.6
111.11696	1.1
113.02401	1.2
113.06019	13.9
115.05488	1.9
117.07020	9.9
119.03413	3.4
119.04938	4.6
119.08580	18.4
121.06525	15.7
121.10142	36.4
122.10503	2.3
123.04434	7.8
123.08055	7.0
125.05977	8.1
127.03931	1.2
127.07561	28.0
128.06255	2.4
129.07027	5.2
130.07768	7.2
131.08575	27.9
131.09341	0.6
133.06512	5.7
133.10143	4.0
135.04390	6.6
135.08037	6.3
135.11702	13.9
137.05977	37.3
137.09605	1.7
138.06361	1.2
139.07567	4.0
139.11159	3.7
141.05481	4.5
141.07031	1.5
143.03441	4.9
143.08563	7.0
144.09282	2.6
145.06487	2.8
145.10123	58.3
146.10483	3.2
147.02888	15.8
147.03993	1.8
147.08086	7.6
147.11696	4.7
149.05986	3.1
149.09622	16.0
151.07553	23.3
153.05467	3.4
154.07767	1.2
155.07034	6.9
155.08360	1.4
157.10118	1.3
158.07307	1.3
159.08038	2.0
159.11697	16.3
161.04459	7.4
161.05766	1.9
161.09627	4.6
163.07619	1.1
163.11185	35.6
164.11499	2.4
165.09071	1.5
167.07120	1.4
167.10588	2.1
169.10147	6.0
171.02895	4.0
171.11713	1.7
172.08717	1.2
173.04494	1.6
173.09618	17.5
177.12737	4.2
181.12241	5.5
187.05954	1.0
187.07637	1.2
187.11182	35.3
188.11539	2.7
189.09218	1.3
189.12770	4.9
191.10663	53.0
192.10960	2.9
195.06538	1.7
197.08093	1.9
197.09660	1.4
205.12239	18.6
209.08223	1.4
209.11722	33.0
210.12074	1.5
213.07581	3.0
215.08832	1.9
215.10696	20.9
223.13255	1.3
227.09155	1.4
233.09413	1.7
233.11728	24.7
233.13992	2.0
234.12198	1.1
243.08534	4.8
251.12805	8.0
253.07048	5.1
257.10184	3.6
261.05344	1.3
269.10165	3.1
278.79434	1.0
281.13995	1.2
291.12274	4.6
305.13788	7.8
309.10379	1.4
309.13324	34.8
310.13739	2.5
323.14893	17.6
327.14401	7.6
330.61859	1.1
333.13196	7.6
337.10654	4.1
351.14407	35.6
352.14740	2.6
369.15665	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	369.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	21.7
55.05517	10.5
57.03434	3.6
57.07077	1.7
61.02922	3.1
65.03943	5.4
67.05505	51.7
68.99797	1.2
69.03426	8.1
69.07068	16.3
71.01349	3.7
71.04996	37.9
71.30678	1.4
71.31024	1.3
73.02922	7.2
77.03934	1.4
79.05493	44.0
80.05825	1.5
81.03416	4.6
81.07058	100.0
82.07402	2.0
83.01341	3.5
83.04984	15.2
85.02903	4.2
85.06545	49.6
86.06863	1.8
91.03987	1.0
91.04959	2.0
91.05482	25.0
93.07046	46.8
94.07387	1.7
95.04969	81.4
95.08606	9.2
96.05326	1.5
97.02911	1.6
97.06535	23.9
99.04472	4.3
100.07610	2.3
101.02377	17.8
103.05462	2.8
105.04482	1.1
105.07030	47.0
106.07362	1.1
107.04956	16.5
107.08590	23.9
107.09275	1.4
109.02871	1.2
109.06522	70.5
109.10170	4.0
110.06902	1.2
111.04464	4.8
111.08079	7.5
111.11699	1.1
112.78544	1.0
113.06020	12.4
115.05486	1.9
117.07021	9.7
119.03426	4.4
119.04948	6.8
119.08585	17.5
121.06528	10.6
121.10143	29.1
123.04421	10.2
123.08064	8.0
125.05983	8.0
127.03907	1.3
127.07546	32.0
127.08439	2.0
128.06227	2.5
129.01764	1.4
129.07014	4.5
130.07822	4.7
131.08577	26.4
133.06442	6.3
133.10138	6.4
135.04425	7.7
135.08060	3.5
135.11705	10.7
136.07538	1.4
137.05974	36.9
138.06346	1.5
139.07555	4.4
139.11186	3.1
141.05478	4.3
143.03381	6.2
143.08572	3.1
144.09297	2.2
145.06517	3.2
145.10120	53.5
146.08105	1.9
146.10504	1.8
147.02892	14.6
147.04471	1.5
147.08064	7.3
147.11722	5.3
149.05980	3.4
149.09598	12.1
151.07538	20.5
153.05508	3.4
153.09056	1.0
154.07716	1.8
155.07048	8.0
155.08310	1.6
157.10101	1.5
158.07220	2.1
159.06625	1.4
159.08029	3.1
159.11700	13.8
161.04465	7.1
161.05762	1.6
161.09605	4.0
163.07512	2.5
163.11183	29.7
163.12477	2.0
165.09134	2.3
167.10698	1.0
169.10033	4.9
171.02858	4.9
171.11667	1.2
173.09627	16.9
175.03967	2.5
177.12799	3.9
181.12244	4.7
187.11179	32.3
188.11534	2.6
189.09138	2.7
189.12749	4.7
191.10666	49.2
192.10999	2.4
196.67509	1.1
197.08070	1.3
197.09639	2.5
199.07579	2.4
205.12248	15.7
207.06534	3.0
207.13849	3.0
209.11722	39.1
210.12204	1.8
213.07558	3.4
215.10716	21.2
223.13338	1.6
233.09389	1.5
233.11729	26.8
234.06703	1.3
241.07031	1.1
243.08650	5.3
247.07484	1.3
251.12813	10.8
253.07088	3.0
255.41275	1.0
257.10275	3.0
260.08627	1.3
269.10162	5.0
281.13873	1.0
291.12418	2.4
305.13858	8.0
309.13348	35.3
310.13724	2.0
323.14911	19.5
324.15231	1.6
333.13373	6.6
337.10492	5.4
339.12173	1.3
351.14395	49.4
352.14725	4.5
369.15796	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	369.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03949	4.3
55.01675	1.4
55.01882	16.6
55.05511	10.4
57.03431	4.1
57.07061	1.5
61.02921	2.9
65.03941	5.8
67.05508	55.4
69.03435	9.6
69.07069	16.9
71.01356	3.0
71.04997	33.9
71.31351	1.8
73.02915	7.3
78.51337	1.2
79.05495	37.3
81.03417	4.2
81.07061	100.0
82.07388	2.4
83.01340	2.7
83.04985	13.3
85.02892	4.1
85.06071	3.1
85.06551	47.0
86.06886	2.2
91.05482	22.8
93.07050	49.7
95.01330	2.2
95.04974	90.4
95.08619	9.7
96.05306	2.0
97.02911	2.7
97.06535	23.8
99.04452	4.4
100.07616	3.1
101.02379	18.3
103.05479	2.3
105.07036	51.0
106.07356	2.4
107.04948	16.5
107.08593	26.0
109.06525	69.4
109.10166	3.4
110.06825	3.3
111.04441	3.2
111.08109	8.8
113.06014	13.0
115.05465	2.7
116.06234	1.9
117.07018	10.3
119.03416	2.7
119.04953	25.0
119.05823	2.3
119.06106	1.7
119.08580	19.8
121.06517	14.6
121.10146	29.2
123.04456	11.6
123.08060	9.3
125.06003	10.5
127.03876	1.8
127.07561	32.9
128.06203	3.2
129.07024	4.3
130.07770	4.5
130.56613	1.6
131.04912	2.9
131.08574	19.9
133.06477	6.6
133.10150	6.9
135.04395	7.1
135.08060	5.5
135.11719	14.0
136.07495	1.8
137.05986	41.0
137.09619	1.9
138.06335	2.9
139.07549	6.5
139.11180	2.4
141.05460	4.0
141.07018	2.6
141.31728	1.5
143.03394	3.5
143.08600	6.5
144.09341	3.0
145.06473	3.3
145.10133	51.7
146.08206	1.9
146.10452	3.2
147.02887	12.4
147.04427	2.9
147.08058	6.5
147.11684	7.9
149.05971	3.9
149.09615	13.5
151.07545	21.3
153.05463	5.2
153.09056	1.6
155.07033	11.0
155.08353	2.4
157.10074	2.4
158.07277	2.6
159.08015	4.6
159.11681	18.9
161.04474	6.2
161.05872	2.8
161.09627	4.0
163.07487	2.0
163.11197	28.6
164.07141	3.5
165.09189	2.5
167.07040	3.0
169.10120	4.2
171.02895	4.3
172.08815	1.5
173.08209	2.4
173.09634	18.5
175.03929	2.1
175.07393	1.7
175.11232	1.6
177.12756	3.3
179.10675	2.1
181.12251	4.9
187.11189	38.5
188.11595	1.9
189.09106	3.5
189.12715	3.6
191.10675	51.1
192.11021	2.4
193.08702	3.2
193.12248	3.4
197.09750	2.6
199.07549	2.2
205.12245	20.6
206.07228	1.6
207.06528	5.3
207.13818	2.8
208.13391	3.5
209.11739	43.8
215.10722	20.0
216.11000	1.8
219.08060	2.2
220.12692	1.9
233.11743	24.7
235.07660	1.6
243.08604	5.9
251.12788	10.5
253.07028	3.5
257.10233	3.1
264.07761	2.8
266.09412	1.9
269.10229	3.7
269.13409	1.4
278.09274	1.6
291.12207	4.4
305.08347	1.9
305.13803	8.9
309.10083	3.0
309.13382	38.2
310.13898	1.9
311.12677	2.0
323.14899	18.7
333.13333	8.3
337.10709	9.6
339.12192	1.7
351.10654	2.2
351.14398	43.5
369.15237	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	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.01867	6.5
55.05508	4.8
57.03437	8.0
60.04526	1.5
61.02909	3.3
65.03949	2.5
67.05503	11.2
69.03439	16.0
69.07069	7.2
70.96609	3.6
71.01357	6.0
71.05000	8.6
73.02919	5.2
79.05504	8.8
79.63155	1.6
81.03406	6.9
81.07060	28.4
83.04992	5.8
85.02905	100.0
85.06536	7.0
85.64812	1.7
87.29969	1.5
91.05480	50.1
93.07040	10.4
95.04985	13.5
95.08619	5.1
97.02351	1.6
97.02887	7.7
97.06514	3.3
99.04449	4.9
101.02393	3.8
101.06147	1.7
103.03954	1.8
105.07021	12.5
107.04947	5.0
107.08602	7.4
109.02866	3.0
109.06524	11.3
109.10167	6.4
111.04433	1.7
113.02354	3.4
113.06047	2.2
116.87228	1.7
117.03425	1.9
117.06998	2.3
119.04919	1.6
119.08585	10.8
121.06522	4.9
121.10132	10.8
123.04426	2.0
123.08060	2.3
123.11709	70.9
125.06002	8.9
127.03905	6.4
127.07545	4.9
129.07008	1.7
130.07813	2.2
131.08557	5.8
133.06473	3.1
133.10150	3.6
135.04404	1.7
135.08015	1.8
135.11703	1.7
137.05981	8.1
139.07585	4.3
141.01825	5.8
141.05444	1.9
143.03372	1.8
143.08492	3.1
145.02820	3.8
145.05019	1.8
145.10121	11.1
147.02838	1.8
147.04361	2.0
147.08083	3.2
147.11682	7.9
149.05974	2.6
149.09581	6.1
151.07504	7.2
156.09404	1.7
159.02992	2.1
159.11674	3.0
161.09599	2.1
161.13240	2.8
163.03917	2.0
163.11227	7.9
164.06902	1.8
167.06949	1.5
169.10062	1.5
171.11740	2.4
173.09619	4.1
173.13130	1.6
177.05490	6.8
187.11198	4.7
189.12733	18.0
191.10683	4.5
191.14507	1.8
193.08614	6.6
200.79460	1.7
205.12349	2.6
206.04536	1.7
207.04825	3.6
207.06570	3.7
207.13811	37.2
207.15649	3.1
208.14175	1.9
209.11720	4.9
215.10735	2.3
225.14854	5.7
233.11745	3.1
309.13354	6.1
323.14893	3.7
333.16934	2.5
351.14255	4.9
351.17996	8.5
369.15079	9.9
369.19083	18.1
374.49152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01867	5.1
55.05517	3.2
57.03438	4.8
57.07083	2.1
61.02922	2.7
67.05508	12.9
69.03427	20.1
69.07069	9.0
71.01350	1.7
71.04990	5.1
71.31490	2.1
72.08173	1.9
73.02931	2.6
79.05487	9.6
81.03414	9.2
81.07055	23.3
83.04977	6.5
85.02907	100.0
85.06548	2.6
88.07632	5.9
89.07959	1.7
91.05485	14.0
92.05819	1.6
93.07043	11.9
95.04948	7.7
95.08592	9.0
97.02898	7.6
97.06541	2.9
99.04459	4.2
105.07029	18.6
107.04984	5.0
107.08599	13.8
109.02890	6.9
109.06516	16.1
109.10144	14.9
111.04410	1.8
111.08068	1.8
117.07021	3.8
119.04939	13.2
119.08591	18.3
120.05254	7.8
121.06516	6.5
121.10132	14.3
122.07256	2.9
123.04457	1.9
123.08073	7.2
123.11708	70.9
124.11992	2.7
125.05995	11.7
127.03922	11.7
127.04745	1.5
129.07031	1.7
131.04924	1.8
131.08566	3.3
133.06477	3.6
133.10110	7.1
135.07094	1.4
135.08073	6.1
135.11708	5.2
137.05983	5.4
137.09610	55.9
137.13290	1.9
139.07571	4.0
139.11195	2.3
143.08507	2.3
145.04965	3.1
145.06436	2.3
145.10136	5.3
147.04346	2.0
147.08031	5.2
147.11707	13.5
148.43126	1.6
149.05971	2.5
149.09615	10.7
151.07593	7.3
151.11174	10.4
153.08990	1.7
156.09384	4.9
159.08105	2.2
159.11664	2.4
161.09634	3.3
161.13306	7.0
163.07501	1.6
163.11188	7.5
167.03358	2.4
167.07063	2.3
171.11667	4.0
174.10339	3.0
175.03975	1.9
177.05452	3.8
177.12769	2.9
179.10594	3.5
179.14291	3.1
187.11145	2.3
189.09174	2.9
189.12735	30.0
191.10643	2.9
191.14311	7.8
205.12131	1.6
207.06487	5.7
207.13809	48.8
259.59784	1.6
278.07736	1.7
333.16974	3.8
351.14291	1.7
351.18039	3.6
352.58920	1.8
369.15045	20.9
369.19229	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	369.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	10.4
56.96571	52.1
67.05489	1.9
71.19904	2.8
71.34137	1.5
71.95273	9.5
72.96040	3.8
74.97625	1.7
78.76586	2.1
81.07066	2.3
83.08625	3.9
84.96038	1.6
92.02761	1.6
93.07029	2.1
95.08608	2.0
97.43366	1.5
97.96799	2.3
107.92469	1.6
110.97585	5.7
119.01630	1.7
119.08615	1.8
123.01222	2.6
128.98625	4.9
134.30276	1.3
137.02715	2.9
143.78061	1.8
149.09729	1.6
155.03775	3.1
159.03340	1.6
169.01723	2.3
171.03339	2.6
175.02818	1.7
183.06793	1.6
185.04811	2.2
186.04739	1.7
187.02908	1.7
189.04346	3.3
189.07977	2.6
190.53476	1.6
195.06931	4.4
199.06413	6.8
203.05920	1.8
207.06842	2.2
211.06351	3.3
213.08012	19.7
217.07428	5.9
221.08495	1.6
223.10074	1.8
225.08035	8.6
229.07507	6.1
231.06937	2.2
231.09071	25.5
237.07994	3.8
239.09703	7.6
241.11121	14.5
243.09085	6.0
247.08560	3.9
251.09523	8.5
255.09027	5.8
257.10593	4.9
259.12207	17.1
269.10617	62.5
270.10913	3.2
273.10077	3.3
287.11655	24.6
333.17316	22.7
334.17654	1.6
339.18396	1.6
351.18445	48.4
352.18564	3.0
369.19473	100.0
370.19855	7.2
387.20578	92.5
387.24881	1.4
388.20987	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	369.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59457	8.4
56.96560	33.5
67.05507	39.6
69.07074	17.7
70.56947	14.5
70.57304	20.7
71.04988	12.4
79.05486	16.8
81.07066	28.3
83.04971	8.2
86.09711	12.7
91.05457	20.6
93.07043	27.4
93.45835	8.8
95.04978	14.1
95.08612	38.0
105.07041	26.5
107.08597	22.1
109.10168	25.9
110.97556	9.6
116.26951	8.6
119.08582	14.3
121.06518	10.8
121.10144	11.0
123.11725	10.5
128.09633	8.6
128.98552	13.0
131.08591	13.3
133.10155	16.9
143.08597	15.2
147.11703	16.3
155.08556	9.2
157.10251	10.0
165.90634	8.6
172.93977	8.9
185.86948	9.0
186.69313	10.2
189.12857	9.4
199.06372	14.3
217.07468	21.9
225.07622	10.0
229.07433	80.2
247.08569	79.8
257.07022	13.9
258.07593	12.1
277.21582	12.4
278.21042	9.8
337.10562	9.4
351.18753	21.2
369.09854	16.4
369.19736	100.0
369.24081	16.8
370.20166	12.8
370.27338	14.3
387.20602	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01865	6.7
55.05519	6.0
57.03440	3.5
57.07061	1.3
64.20983	0.5
67.05236	0.5
67.05509	5.4
69.03429	0.6
69.07071	5.0
70.46334	1.5
71.08635	0.9
77.50439	0.5
79.05498	7.0
81.07059	29.9
82.07407	0.5
83.04993	3.0
83.08614	2.2
85.06535	1.0
89.50488	0.5
91.05470	4.1
93.07043	5.7
95.04939	0.7
95.08608	7.1
97.06538	1.7
105.03418	0.5
105.07031	4.1
107.08596	5.2
109.06524	11.2
109.10149	3.4
111.04443	18.0
111.08076	0.8
117.06994	0.5
119.08585	5.7
121.10142	4.7
123.08073	1.9
123.11691	1.9
125.05991	5.7
125.52702	0.6
131.08586	3.2
133.10141	4.3
135.08047	3.5
135.11702	4.6
137.05975	100.0
137.13257	1.6
138.06297	3.6
139.07498	0.6
142.07808	0.7
143.08543	1.7
145.10138	1.3
147.08035	2.0
147.11678	6.3
149.09616	4.5
149.13208	0.6
151.07538	1.9
151.11221	1.1
157.10133	2.1
159.11723	0.8
160.08827	0.6
161.09627	6.0
161.13245	2.8
163.11168	3.5
163.14819	1.3
165.09073	2.8
165.12868	0.7
167.07007	0.6
171.11702	1.4
173.13318	0.6
175.11179	5.1
175.14728	0.9
177.12714	1.0
179.10709	2.2
181.12305	0.7
185.13249	0.6
189.12773	1.4
191.06979	0.6
193.12241	1.7
203.17940	7.2
205.19559	1.0
213.16403	3.1
221.19028	2.3
223.14708	0.6
231.17444	9.3
232.17856	0.7
233.06076	0.8
241.15906	1.1
249.18504	12.6
250.18823	0.9
259.16919	1.0
277.17984	59.5
278.18231	3.7
295.19012	10.6
335.90192	0.7
337.10739	1.2
338.93277	0.5
351.21741	6.4
369.13254	1.7
369.22748	3.5
370.22827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.9
55.01869	10.0
55.05517	40.9
55.16986	3.5
57.03444	23.7
57.07078	8.0
57.62869	3.5
59.05007	4.9
62.06895	3.3
65.03947	3.4
67.05512	100.0
69.03442	7.1
69.07066	31.9
69.10305	24.5
69.88106	3.1
71.05006	6.5
73.23951	3.2
79.05498	63.5
80.39426	3.5
81.03442	4.2
81.07063	75.6
83.04989	8.3
83.08621	18.3
85.06557	18.1
91.05493	40.6
93.07051	68.9
95.04979	10.0
95.08613	68.2
97.06546	14.8
97.10182	32.9
99.08104	3.7
105.07034	42.5
107.04966	5.2
107.08599	77.5
109.06521	12.4
109.10159	60.4
110.64147	3.4
111.08110	6.6
113.06006	3.6
117.07020	12.8
119.08584	42.8
121.10151	45.2
123.08086	13.1
123.11741	10.7
125.09631	20.6
129.07037	5.4
131.07079	4.7
131.08592	30.5
133.10165	28.6
135.08055	6.4
135.11716	41.1
137.09637	9.9
143.08591	10.2
145.10146	25.0
147.11691	21.1
149.09622	7.9
149.13239	11.5
151.07555	8.0
151.11240	8.9
157.10121	10.7
159.11659	16.0
161.13261	9.5
163.11229	8.4
171.11731	10.6
173.11810	5.5
173.13300	11.8
175.14857	10.4
185.13298	10.4
187.14836	14.3
189.11258	13.9
189.12825	7.7
193.15959	4.7
199.14755	3.9
205.16078	7.4
205.18141	3.8
207.10121	8.1
207.13995	3.5
221.19102	3.5
227.12817	8.4
241.19533	11.7
259.20584	22.8
277.21652	54.9
295.09894	4.2
295.13199	3.6
305.58005	3.5
337.14319	6.0
351.25430	30.5
369.24152	12.1
369.27676	15.0
369.31604	4.1
370.18121	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01865	9.6
55.05515	63.9
57.03443	22.3
57.07076	6.0
65.03965	3.8
67.05508	80.3
69.03422	3.9
69.07074	34.6
71.05013	7.7
71.08633	36.0
71.31117	1.5
71.31472	1.8
79.05502	46.5
81.03426	7.5
81.07063	100.0
82.07389	2.0
83.04983	10.2
83.08625	52.7
85.06558	8.0
85.10194	5.5
87.04463	1.4
91.05484	42.9
93.07051	50.8
95.04965	14.0
95.08607	46.6
97.06548	14.7
97.10188	6.3
99.08095	35.4
103.05493	1.9
105.04511	2.3
105.07037	39.9
105.07747	2.0
107.04951	2.7
107.08598	31.3
109.06522	10.3
109.10164	19.7
110.62456	1.5
111.08092	17.6
111.11692	1.9
113.06011	2.3
113.09657	7.0
115.05425	1.7
117.07007	8.4
119.08585	29.3
121.06548	2.8
121.10154	24.7
123.08101	8.1
123.11710	18.8
125.09637	6.2
127.07565	2.1
128.06248	1.9
129.06976	5.0
131.08566	9.5
133.06540	1.5
133.10144	20.8
135.08055	1.8
135.11700	18.2
137.06001	5.5
137.09650	3.6
137.13268	2.1
139.11217	6.2
142.07751	1.4
143.07158	1.5
143.08580	2.8
145.10135	8.9
147.08049	1.8
147.11690	37.2
149.09660	4.8
149.13261	22.3
151.03957	2.7
151.11201	21.0
153.12866	2.6
155.08675	2.0
157.10141	5.1
159.11656	8.0
161.09717	2.1
161.13257	13.3
162.13628	1.5
163.11165	8.2
163.14816	2.0
165.09138	2.8
165.12759	27.6
166.13078	1.6
167.07048	2.2
167.14345	4.1
171.11729	3.4
173.11789	3.6
173.13219	2.3
175.11201	5.2
175.14844	4.0
177.12793	4.2
179.08517	1.7
179.14311	11.2
181.97713	1.3
185.13287	3.3
185.30807	1.4
187.07668	1.2
189.11212	3.2
189.12759	2.9
189.16379	1.9
193.12286	2.5
193.15610	1.3
195.13823	3.3
205.06664	1.7
207.13805	2.5
221.15480	2.8
231.07968	2.5
231.21101	4.8
233.06023	2.2
234.06776	1.6
241.19604	5.3
245.13947	1.7
247.07658	1.7
249.09248	3.5
249.22255	6.7
259.20541	10.8
263.07114	1.4
264.53763	1.4
269.17392	9.5
276.07770	1.7
277.08646	2.2
277.18597	2.8
277.21643	54.3
277.47314	1.5
278.09360	1.3
278.21924	4.0
293.08115	2.3
295.22711	8.2
305.08075	2.4
309.11121	3.7
314.96869	1.5
327.01862	2.1
337.10895	6.6
341.13748	1.9
345.02869	11.0
351.12112	2.7
351.25424	7.5
363.03751	3.1
369.13361	9.3
369.26410	40.2
370.13797	1.6
370.26779	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.1
57.03439	7.1
57.07079	66.7
67.05500	9.9
69.03434	8.9
69.62867	23.1
69.63205	11.1
70.06591	15.5
71.04974	6.1
72.08134	7.6
72.24291	6.4
79.05489	15.7
81.03421	7.8
84.04475	8.1
84.08157	13.2
85.02895	17.6
85.06546	50.5
86.09710	12.7
91.05448	14.5
93.07046	7.4
95.04983	12.7
103.05447	6.6
103.07578	10.1
105.07025	21.2
107.04959	19.7
109.06518	13.2
110.07162	29.8
111.04425	10.4
114.17484	6.5
115.05521	11.0
120.08144	7.6
123.04444	15.2
129.10223	7.4
133.02852	18.5
133.06471	9.2
135.08073	20.5
136.07588	18.6
137.06004	9.0
147.04395	10.4
151.03931	9.9
156.07695	9.2
157.04976	7.1
159.10168	100.0
161.05995	25.3
162.06349	7.2
163.07555	38.4
164.07117	15.1
167.07018	38.4
173.06070	11.0
177.11246	27.2
179.03409	29.3
183.08636	8.7
189.09203	6.6
191.07053	56.8
193.08572	26.1
194.02170	26.7
207.06401	6.6
209.04469	89.4
217.08536	11.2
339.12573	11.2
353.14346	7.8
370.13312	11.1
371.16943	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32436	0.2
53.03947	0.5
55.01880	0.3
57.03427	0.3
61.02929	0.6
65.03960	0.3
69.03429	1.3
70.44657	0.2
70.44994	0.6
72.04524	2.2
72.08131	0.4
78.46872	0.2
79.05477	0.7
81.03419	0.8
81.07066	0.3
85.02919	3.4
87.04465	0.3
89.03913	3.4
91.03963	0.3
91.05485	4.5
92.85966	0.2
93.07054	0.4
97.02898	1.2
99.04483	0.4
100.07615	2.6
105.03416	2.2
105.07027	0.4
107.04960	1.7
109.02878	0.4
119.04952	13.5
120.05291	0.3
121.06579	0.3
125.06011	0.4
127.03939	0.4
129.10260	0.2
135.04424	58.2
136.04761	1.9
137.05959	0.6
141.19389	0.3
145.04962	0.5
151.03969	0.4
167.06958	0.2
178.12259	0.6
181.52315	0.2
190.12277	0.5
208.13338	100.0
209.13686	5.2
217.12120	0.2
234.06723	0.3
371.14743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05519	1.7
61.02945	0.9
61.84122	1.0
63.93893	0.8
65.03943	1.4
67.05497	3.8
69.03426	2.5
69.07066	1.3
71.05019	1.7
71.31120	0.8
72.08157	33.6
79.05487	3.4
81.03430	2.1
81.07063	3.8
83.04955	1.4
85.02915	3.4
85.06547	1.3
91.05472	9.1
92.05806	1.4
93.07051	4.6
95.04980	3.7
95.08607	1.9
97.02923	1.2
97.06525	2.0
105.07036	3.8
107.04967	2.7
107.08604	2.1
109.06528	4.4
111.08070	1.5
119.04945	100.0
119.08572	1.2
120.05285	6.2
121.06535	2.2
121.10149	2.6
123.04413	0.9
125.06013	1.4
125.16285	0.9
127.03920	1.4
131.04919	2.5
131.08560	0.9
132.05704	1.7
133.06490	1.4
133.10136	1.3
135.04446	1.7
135.08046	2.0
135.11699	1.0
136.07574	4.4
137.06000	3.3
138.06296	1.5
145.10168	1.5
147.11685	2.5
149.09634	1.5
151.03947	1.4
159.08063	0.9
161.05957	1.4
163.07533	10.8
164.07007	4.3
164.95810	0.9
167.07036	3.6
175.07513	1.4
175.11247	0.9
179.08559	0.9
190.12312	3.0
192.07884	1.5
193.12309	2.4
208.13326	63.8
209.13617	3.1
217.12332	1.2
247.09801	0.9
265.08643	1.4
293.11740	1.4
321.10974	1.3
338.10883	1.2
339.12253	4.0
370.13382	2.0
371.14532	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	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73561	42.4
64.88294	44.5
69.03430	64.4
70.13152	100.0
84.08160	94.9
89.16158	41.1
132.29074	50.1
181.02272	50.9
371.07388	90.2
371.13245	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18177	14.1
67.33515	14.2
68.41740	14.5
70.06599	26.2
70.20512	37.3
70.20852	18.3
73.04758	23.8
84.08149	24.7
85.02921	32.2
91.05801	31.7
91.35766	13.2
91.69875	16.0
117.77218	15.3
133.22572	13.6
154.94142	15.1
276.50308	14.6
285.01004	27.3
364.10938	14.8
371.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1126
Annotation	(-)-DCA-CL
Peak:m/z	Relative Intensity
52.47716	4.0
55.01878	35.8
55.05500	4.7
65.03936	11.9
67.05498	6.4
69.07062	4.0
79.05491	8.7
81.03408	4.1
81.07055	11.1
83.04942	5.5
83.08633	3.3
85.63123	3.7
87.36256	3.7
91.05453	8.4
93.03421	4.7
93.07045	9.1
95.04943	4.3
95.08616	7.4
96.02107	6.8
101.06023	4.8
105.07056	8.3
107.04974	6.2
107.08601	6.0
109.10188	8.3
111.04454	17.0
115.05460	6.6
119.08593	7.9
121.06548	6.9
121.10112	6.0
123.04444	7.2
131.04956	5.8
131.08597	6.6
133.06496	7.3
133.10085	7.8
137.05986	12.1
139.03967	6.6
144.05792	4.4
145.06480	5.5
145.10146	4.4
147.04417	7.8
147.08009	4.1
151.03902	10.7
152.06261	4.9
153.05519	4.7
153.06908	6.7
157.06483	5.0
159.08025	4.7
161.06000	11.2
163.03944	5.3
165.06998	19.1
166.07843	6.0
167.03413	9.0
167.07066	18.5
167.08414	4.7
169.06447	5.0
170.03722	5.1
171.08078	5.1
173.06042	15.7
174.06731	7.7
175.07516	6.9
177.05385	4.2
177.07022	4.9
178.07820	7.6
179.08693	5.1
181.05103	6.0
181.06534	15.1
183.08072	5.1
187.07614	12.2
188.04630	3.9
189.05521	12.4
189.07051	7.9
189.09158	4.0
190.07771	5.2
191.07016	3.8
193.06482	11.1
194.07312	18.8
195.08017	11.6
196.05287	5.7
197.06009	4.0
199.07594	4.5
201.05518	10.6
201.09036	3.7
202.06239	5.5
203.14420	3.9
205.06570	11.3
206.07324	8.6
207.08113	9.2
209.06001	5.6
210.06793	11.1
211.07574	16.6
215.06898	6.7
217.08554	5.4
218.07417	6.3
219.07961	8.4
220.05235	8.1
221.05939	25.2
222.06746	9.2
223.07449	11.2
225.09131	9.0
226.06122	3.9
227.07060	7.7
233.06004	13.2
234.06769	9.1
235.07536	17.5
236.08212	7.6
237.05469	16.9
237.09038	25.2
238.06271	10.0
238.09804	5.1
239.07047	15.0
247.07419	4.9
248.04733	6.0
249.05484	16.2
249.09157	10.1
250.06320	12.8
251.07063	20.4
252.07765	15.3
253.08575	26.0
255.06445	7.0
261.05371	5.3
262.06277	10.6
263.06989	30.3
264.07733	9.6
265.04974	12.9
265.08560	25.7
266.05698	5.5
266.09283	5.1
267.06519	11.4
267.10165	7.7
269.08124	8.5
277.05139	6.2
277.08618	21.4
278.05795	14.2
279.06528	17.6
279.09726	5.4
280.07281	27.4
281.08026	29.4
282.08859	9.4
283.06061	8.4
283.09641	5.0
285.11096	7.2
291.06439	9.6
291.09711	4.4
292.07190	8.3
293.08081	55.3
293.11209	7.4
294.08743	7.2
295.09503	24.6
297.07712	6.7
297.11130	6.9
298.08359	6.1
305.08063	7.5
307.09659	13.1
308.06659	21.1
309.07639	25.6
309.11038	6.5
310.08304	8.9
311.08987	5.6
313.10672	16.6
321.07495	12.2
321.10965	5.5
322.08353	47.7
323.09125	100.0
324.09482	9.2
325.10760	15.3
335.09149	5.8
339.08560	12.0
339.11908	12.2
340.09439	12.1
341.06110	6.8
341.10144	78.0
342.10400	9.7
353.10156	16.7
371.10730	33.5
371.15549	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
57.03425	1.1
65.03905	1.0
67.05491	1.3
67.14021	0.7
69.03415	0.7
69.07050	0.7
69.08673	1.6
69.09069	5.5
69.88890	0.7
70.06586	1.3
79.05486	1.4
81.03403	0.7
81.07035	1.4
85.02891	1.1
91.05473	3.2
93.07026	2.2
95.04947	2.0
103.05457	1.8
105.07016	2.9
107.04950	2.8
107.08613	0.8
110.28133	0.7
115.05487	0.8
119.04951	0.9
119.08592	1.1
119.64983	0.7
121.06519	1.1
121.10123	0.9
123.04424	1.1
124.05186	0.9
125.06033	0.7
129.06950	1.1
131.04927	4.0
132.05714	1.9
133.06456	2.1
133.10074	1.1
135.04305	1.2
137.05965	3.6
147.04384	2.1
149.02374	1.0
149.05971	1.9
149.09839	0.7
151.03847	0.9
151.07512	0.9
153.05399	1.2
153.09058	1.4
157.06467	1.9
160.05251	1.1
161.05949	2.8
162.06723	1.6
165.05394	1.3
167.07050	12.9
173.13257	0.9
175.03899	1.0
175.07509	2.4
176.04564	0.8
177.05450	2.5
179.06944	1.1
180.07776	1.2
181.04939	1.7
181.08556	2.7
187.03963	1.4
187.07498	2.3
189.09052	1.2
191.06982	3.2
192.07806	5.5
193.08284	0.8
201.94286	0.8
203.08604	1.2
205.08475	1.1
207.06436	1.3
209.08066	1.9
209.15219	1.0
217.08568	2.3
219.08002	1.6
227.05257	1.3
227.08510	1.9
233.09697	1.4
234.06526	0.8
235.07507	1.6
236.08083	0.8
249.09131	1.2
250.09799	0.8
251.07082	1.0
261.09042	2.5
263.06995	1.2
265.08609	1.7
266.09271	0.9
269.08044	1.1
271.04077	1.2
277.08578	1.7
278.09253	1.4
279.10001	1.6
281.08240	0.8
281.11508	0.9
285.13068	3.5
293.08041	1.5
293.11447	1.6
307.09552	1.7
309.10938	1.0
311.09067	0.9
311.12643	1.8
321.07428	1.3
321.10974	1.6
327.10315	1.4
327.14172	27.3
328.14218	2.3
339.08713	1.0
339.12299	11.6
340.12683	1.2
341.13583	1.1
353.09940	1.3
353.13809	2.5
371.13058	100.0
372.13385	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	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74899	1.5
53.03962	2.6
53.72972	1.5
55.01871	1.9
55.05508	2.5
65.03949	2.2
67.05511	4.2
69.03436	2.1
69.07070	2.5
78.04704	3.0
79.05487	10.6
81.03441	1.6
81.07069	4.7
91.05478	12.8
93.07048	5.3
95.04984	4.5
95.08610	9.0
97.95067	1.5
100.04372	1.6
100.74784	1.6
103.05466	10.3
105.07036	14.4
106.04193	3.5
107.04952	14.7
107.08598	5.1
108.05319	1.7
109.06540	3.2
109.10182	5.9
112.87630	1.8
115.05476	5.1
117.07024	5.0
118.04182	3.7
119.04950	1.9
119.08573	13.5
121.06535	4.9
121.10139	5.0
123.04429	6.5
124.05229	3.1
128.06264	5.3
129.07005	9.2
130.04176	2.6
131.04936	16.0
131.08589	4.7
132.05724	9.6
133.06520	4.1
133.10123	10.7
134.03658	2.0
135.11707	4.4
137.05997	5.3
139.88885	1.6
141.06978	2.3
141.15936	1.6
145.06497	4.6
145.10104	4.2
147.04372	3.5
147.08104	9.0
147.11668	2.2
148.05231	2.0
151.03931	2.1
152.04678	2.6
153.05475	1.9
155.04883	1.9
156.05707	2.5
157.06506	3.3
159.04391	2.7
159.08076	4.9
160.05219	5.7
161.06010	6.7
162.06688	1.9
163.07562	3.3
167.07047	100.0
168.07422	4.6
169.74495	1.5
172.05183	1.6
173.13246	1.9
175.07538	34.5
175.14873	1.9
176.04675	5.5
176.07927	1.8
177.05470	5.5
178.07758	4.1
179.07117	2.6
179.08595	3.5
181.04994	2.5
181.06535	2.2
181.08641	2.0
185.13313	2.9
187.07584	9.4
189.07024	4.2
189.09128	4.3
190.07870	2.0
191.07027	48.0
191.08452	2.2
192.07787	6.0
195.08046	3.3
199.07558	12.2
202.07895	3.5
203.08621	4.5
203.14268	3.2
205.06517	3.4
205.10054	2.2
206.07321	3.2
207.08092	6.5
208.08844	2.5
211.14784	2.1
213.16551	1.7
214.48753	1.7
215.08600	3.7
217.08620	4.0
218.07303	6.2
219.08087	6.5
221.05963	2.9
221.09659	5.9
222.06747	2.3
225.16435	2.2
231.08060	4.4
233.09505	7.9
234.06729	5.0
235.07547	10.4
236.08209	2.7
237.09128	1.9
246.06845	3.5
247.07529	4.3
248.08279	2.9
249.09167	8.8
250.09789	3.4
251.10773	3.3
260.08316	3.7
260.34454	1.7
261.09082	12.8
262.06573	1.7
263.07092	5.6
264.07751	4.7
265.08612	3.7
267.10086	3.0
275.07257	1.9
277.08600	6.9
278.09317	4.8
279.10220	5.3
281.11771	4.7
289.08636	4.9
291.06586	2.3
291.10150	3.8
293.08316	1.9
293.11874	4.4
295.09555	3.5
306.08762	1.7
307.09589	18.3
307.24112	3.4
308.10434	5.0
309.11243	6.5
311.12897	2.9
320.71274	1.9
321.11191	10.8
322.11844	2.9
325.25238	5.4
339.12277	28.7
340.12982	2.4
341.13727	4.2
353.13831	12.0
353.24799	4.5
371.10953	3.4
371.15015	22.6
371.25784	11.7
372.15350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03946	2.1
55.01859	2.9
55.05513	2.2
59.54191	1.0
65.03929	1.2
65.19289	1.0
67.05509	1.9
69.03436	2.4
70.03316	1.3
70.03671	3.3
70.68709	1.1
71.04997	1.2
72.45737	1.2
77.03953	1.1
78.04707	3.6
79.05495	8.0
81.03426	1.4
81.07054	2.5
83.04972	1.3
85.02908	1.7
85.06570	1.0
91.05478	7.4
93.07035	2.5
95.04970	3.2
97.02866	2.8
98.22716	1.1
100.11227	2.6
103.05462	7.1
105.07047	5.3
106.04153	1.5
107.04953	14.4
107.08595	1.2
109.02844	2.2
109.06529	2.5
115.05455	5.3
116.06246	1.4
117.07027	4.1
118.04128	3.0
119.04948	1.8
119.08589	3.9
121.06506	4.6
122.03682	1.5
123.04441	4.9
124.05182	3.8
125.06031	1.3
125.21446	1.0
127.04003	1.3
128.06229	4.4
129.07002	9.6
130.04146	2.7
131.04900	11.8
131.08522	1.6
132.05698	5.1
133.02841	1.6
133.06514	3.5
135.04385	1.0
135.08063	1.2
137.05992	9.6
144.05734	2.0
145.02859	1.3
145.06459	4.2
147.04414	1.9
147.08057	6.3
148.05196	2.0
149.05988	3.6
151.03923	5.4
151.07529	2.1
152.04744	2.9
153.05473	2.1
155.04890	1.7
155.06047	1.7
156.05678	2.2
157.06497	5.8
159.08040	5.1
160.05205	3.6
161.05965	5.8
163.07539	3.1
165.05473	2.6
165.06845	1.1
167.07045	100.0
168.07362	3.8
172.05208	1.9
173.06068	1.3
174.06769	3.1
175.07549	41.0
176.04651	3.6
176.07965	1.9
177.05472	6.7
177.09076	2.0
178.07776	2.6
179.08623	1.4
181.04942	2.1
181.08626	2.0
185.05977	2.2
187.07542	13.6
189.07072	3.9
189.09129	7.3
190.07759	3.6
191.07018	35.2
191.08521	2.6
192.07585	2.7
193.08589	1.7
199.07542	10.7
202.06157	1.5
202.07838	4.3
203.08546	5.5
205.06509	2.9
205.10208	1.7
206.07288	4.4
207.08064	3.4
209.08034	2.9
209.09799	1.7
215.08617	4.8
217.06693	2.6
217.08652	5.5
218.07300	9.0
219.08063	6.1
220.08925	1.7
221.06068	1.7
221.09708	3.9
222.06735	1.4
223.07436	1.6
230.07378	1.3
231.08018	5.2
232.08865	2.6
233.05942	1.9
233.09592	8.0
234.06674	6.0
235.07591	9.5
236.08125	2.1
237.09120	1.4
243.08167	2.4
246.06758	4.7
247.07431	5.6
248.08264	4.3
249.09033	10.9
250.09831	3.1
251.07057	3.0
251.10516	2.0
259.07605	2.1
260.08423	2.9
261.09106	14.3
262.06284	2.7
262.09689	2.3
263.04562	1.2
263.06952	5.8
263.10626	1.2
264.07806	3.2
265.08585	4.9
266.09329	3.0
267.10065	1.9
274.06329	1.7
275.06805	1.4
275.10641	1.5
276.07809	1.5
277.08563	18.3
278.09335	7.8
279.07251	1.2
279.10150	8.3
280.07184	2.0
281.11899	5.7
289.08557	6.7
290.09210	2.7
291.06729	1.1
291.10208	3.6
292.10803	2.1
293.08337	2.2
293.11700	9.0
294.08871	2.4
294.12079	1.4
295.09604	2.2
296.10056	1.5
305.08112	1.5
306.08881	4.6
307.09598	12.0
308.10309	3.2
309.11203	11.4
310.12042	2.2
311.09219	2.2
311.12735	3.7
321.07721	2.1
321.11139	12.6
322.11707	2.8
325.10574	3.5
339.12271	30.5
340.12714	4.5
341.13785	5.9
353.13763	11.7
371.14905	40.9
372.15137	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.8
51.43275	1.7
51.73544	1.6
53.03946	5.5
55.01878	12.1
55.05515	8.1
57.03455	2.7
65.03935	2.2
67.05507	13.7
69.03432	12.4
69.07081	9.8
69.22134	3.3
69.22538	10.5
71.01329	2.0
71.04985	8.7
73.02915	5.1
77.03968	1.8
78.04746	3.1
79.05495	25.4
81.03420	5.9
81.07056	31.4
83.04987	14.2
83.08649	3.7
84.78389	1.8
85.02903	9.2
85.06020	1.3
85.06558	6.2
87.00859	2.0
91.05470	19.7
93.07046	32.4
95.04975	15.9
95.08604	17.4
97.02895	4.0
97.06535	15.0
99.04437	9.9
99.08089	4.7
101.02358	3.1
103.05472	5.4
104.06275	1.8
105.07031	35.2
106.04195	2.5
107.04962	17.7
107.08605	19.2
109.02863	3.7
109.06533	9.2
109.10161	5.0
111.08095	12.1
113.06004	2.0
115.05453	7.0
117.07002	5.5
118.04215	1.8
119.04923	2.4
119.08579	16.8
121.06520	17.6
121.10137	9.4
123.04448	8.4
123.08064	5.3
123.11728	5.1
124.05238	6.9
125.06023	8.1
127.03872	4.2
128.06271	3.2
129.06993	10.0
131.04915	6.8
131.08589	6.1
132.05725	7.5
133.06499	5.6
133.10138	19.3
135.04402	1.8
135.08087	9.7
135.11713	3.5
137.05968	13.0
137.09615	3.9
139.07558	8.2
141.05510	2.4
141.07004	2.5
143.03343	2.0
143.08611	3.7
144.05719	2.9
145.06526	3.7
145.10138	5.8
147.02872	3.1
147.04282	2.0
147.08057	5.2
147.11673	31.2
148.12003	1.9
149.05966	5.2
149.09613	3.7
149.13293	3.4
151.03912	2.9
151.07541	4.3
151.11205	7.0
156.05705	3.2
156.09221	2.1
157.06534	2.7
157.10162	7.2
159.08084	4.2
160.05235	3.2
161.04631	3.0
161.05978	10.4
161.13303	3.4
163.07567	1.9
163.11250	3.8
165.12753	15.6
167.07045	100.0
168.07494	2.0
169.12248	9.6
170.27873	2.0
171.08025	1.7
171.11697	2.9
172.05168	2.6
173.09647	1.8
173.13354	3.3
175.07562	30.1
175.11166	18.5
177.05566	3.0
177.09036	1.9
178.07845	2.3
179.06996	2.3
180.07867	2.8
181.04953	2.5
187.07538	16.8
189.07010	3.1
189.09181	5.6
189.12776	8.9
190.07790	2.6
191.07048	6.0
191.14374	4.5
192.07887	4.1
193.12241	24.2
199.07510	9.6
199.11195	6.4
202.07831	2.2
203.08582	2.8
206.07291	3.0
207.13869	5.0
209.15367	8.5
211.13228	13.2
215.08549	1.9
217.08644	8.0
217.12267	23.2
218.07253	2.3
219.08067	4.5
221.05945	2.2
221.09662	5.8
231.08051	2.1
233.09628	4.6
234.06775	3.2
235.07552	4.6
235.13354	13.7
243.08563	2.8
246.06790	2.5
247.09798	3.1
248.08299	3.2
249.09138	7.5
250.06403	1.7
251.07082	3.4
253.14311	5.5
253.67216	1.9
259.07962	3.2
260.08441	2.4
261.09088	6.5
264.07813	2.2
265.08551	3.9
266.09259	3.3
269.08316	2.4
277.08643	4.5
278.09311	3.6
279.10040	2.1
281.11823	7.9
283.09824	1.9
289.08679	3.1
291.10138	2.0
293.11667	5.0
295.09772	2.3
300.10031	2.5
307.09631	3.9
309.11157	8.9
311.09537	2.2
311.15176	3.1
321.11172	7.8
322.11975	2.9
326.11661	2.5
335.14948	2.9
339.12256	10.5
341.13858	7.6
353.15714	6.3
356.12762	2.3
371.14911	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	371.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01329	2.5
53.03948	8.8
55.01873	31.3
55.05510	26.5
56.18493	2.9
57.03437	4.9
61.02928	3.8
65.03927	4.5
67.05507	28.1
69.03386	31.5
69.07073	27.3
71.04997	15.4
73.02921	10.1
77.03889	3.3
79.05490	41.4
81.03422	7.8
81.07061	87.9
83.04987	36.9
83.08633	9.1
85.02898	7.6
85.06536	14.4
91.05473	34.2
91.05991	3.1
93.07043	90.5
95.04971	30.0
95.08595	52.2
97.02855	3.4
97.06540	55.7
98.06844	2.6
98.22617	4.5
99.04461	25.1
99.55426	2.7
101.02375	22.4
101.06003	4.0
103.05484	6.8
105.07028	87.9
107.04957	22.6
107.08595	60.4
108.36974	2.9
109.06525	40.2
109.10160	10.1
111.08082	38.5
113.06013	5.0
115.05500	4.3
117.07042	7.6
119.08577	34.7
121.06512	64.5
121.07346	4.8
121.10146	12.5
123.04449	9.1
123.08054	15.0
123.11709	20.4
124.05148	3.4
125.05982	15.5
127.07535	9.3
128.06258	5.7
129.07039	10.0
131.04930	6.1
131.08586	9.2
132.05774	4.4
133.06494	10.7
133.10126	48.0
135.04425	5.1
135.08064	31.9
137.05952	17.4
137.09692	4.0
139.07521	30.8
141.05469	6.1
141.06970	3.2
142.07809	7.0
143.03409	9.8
143.07086	6.6
143.08546	10.4
145.06459	5.4
145.10153	11.4
147.02892	10.3
147.08081	9.2
147.11682	100.0
148.12022	4.5
149.09627	4.2
149.13264	10.7
151.07489	5.3
151.11171	18.8
153.09137	5.6
157.06557	3.7
157.08708	6.4
157.10150	22.8
159.06573	9.9
159.08089	11.2
161.04492	15.1
161.05977	9.9
161.13237	11.5
163.07613	3.5
165.12759	52.9
167.07042	85.1
168.07317	4.6
169.12239	21.5
171.08096	3.3
171.11684	15.4
173.04492	5.0
173.09625	5.0
173.13194	3.6
175.07578	27.5
175.11186	63.7
177.05495	4.8
180.07735	3.2
187.07520	15.5
189.09169	3.0
189.12732	30.4
190.13179	2.9
191.07034	5.9
191.14384	5.3
193.12238	99.1
199.07510	3.4
199.11176	22.6
203.08528	3.7
206.07234	3.2
207.13777	16.4
209.15413	8.7
211.13286	50.4
212.13760	4.2
217.08675	8.6
217.12230	76.4
218.07301	4.5
218.12595	3.6
219.08124	4.9
221.09775	4.5
231.08406	3.1
232.08926	4.3
233.09691	3.9
234.06931	4.1
235.07610	5.4
235.13297	43.5
239.28496	2.5
243.08618	9.7
247.07504	3.4
247.09737	4.2
249.09036	5.4
253.14305	24.4
257.10196	6.1
259.08139	7.5
261.09183	6.4
263.07220	3.2
265.08554	3.6
277.08609	4.9
278.09207	5.7
281.11798	8.1
291.10095	2.7
293.11362	3.1
293.14178	4.3
294.08780	3.4
295.73138	2.9
306.08029	3.1
307.09888	3.6
307.15500	4.1
309.11237	6.6
311.14996	14.4
321.11295	11.7
326.11633	3.5
335.14670	14.5
339.12219	10.2
341.13870	10.4
353.16287	27.2
354.16101	4.6
371.15094	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	11.7
55.05508	12.6
59.28947	4.2
65.03940	5.6
67.05507	22.8
68.05857	7.5
69.03427	13.6
69.07080	11.1
71.04996	15.2
71.30875	5.5
74.86120	3.7
79.05488	29.5
80.05824	6.1
81.07059	49.8
82.07384	8.4
83.04978	12.6
85.02891	8.0
85.06542	17.0
91.05474	18.5
93.07030	32.5
94.07387	4.6
95.04965	30.3
95.08613	15.8
96.05301	7.1
97.06526	14.0
101.02377	5.5
103.05518	6.4
105.07056	28.4
106.07352	7.4
106.39334	4.6
107.04961	21.2
107.08608	21.8
109.02850	6.0
109.06521	18.7
109.10111	9.3
110.06812	9.2
111.08093	7.1
113.06050	4.7
119.08605	10.4
120.40186	4.2
121.06547	6.3
121.10139	15.4
123.04475	6.8
123.11619	6.7
123.95130	4.5
128.06206	6.2
129.07050	8.9
131.08571	6.3
133.06447	8.3
133.10152	17.5
135.08017	5.4
135.11732	9.7
137.06020	36.8
137.09621	12.5
139.07541	4.6
145.06412	6.7
145.10173	9.0
146.10468	7.1
147.02869	5.4
147.11691	9.7
151.07581	5.3
157.06528	6.0
159.08012	7.6
161.06041	6.0
163.11206	9.1
165.12762	8.5
167.07051	36.3
174.06758	8.8
175.07536	9.9
181.04971	9.6
187.07553	9.0
187.11201	8.2
188.11444	4.4
189.09126	10.9
191.10686	10.4
191.14217	6.7
192.11032	5.7
201.09250	4.8
206.07356	8.4
215.08553	5.4
217.08621	7.5
217.12180	5.8
218.07199	12.5
219.08005	11.8
225.09061	5.2
233.09590	10.1
234.06888	5.7
235.07562	12.4
235.12601	7.1
246.06918	7.8
247.07390	10.0
248.08345	12.3
249.09146	18.8
251.10622	7.0
260.08365	9.3
261.09045	22.5
263.07248	8.9
263.10788	9.9
265.08670	11.0
277.08606	21.4
278.09329	14.7
279.10089	13.9
281.11752	6.1
291.10211	12.5
293.08041	6.9
293.11636	9.8
300.09821	5.5
306.08578	7.9
307.09589	6.4
309.11151	12.4
311.13654	8.7
321.11160	15.2
339.12344	33.0
340.12756	6.7
341.13586	10.9
343.15277	11.3
347.01712	4.9
353.13962	22.6
371.14923	100.0
372.15140	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	3.0
55.01878	5.0
55.05514	11.7
57.03442	3.9
57.07075	7.2
59.04992	2.1
61.02942	1.9
67.05517	8.1
69.03347	12.4
69.07066	13.6
70.06590	3.4
71.04996	6.1
72.08155	4.3
73.02922	2.2
79.05492	18.3
79.98836	1.6
81.03421	8.6
81.07060	55.9
82.95631	1.8
83.04978	15.2
83.08625	20.3
85.02908	21.7
85.06555	4.8
86.09705	4.4
91.05450	7.5
93.07049	19.8
95.04976	11.8
95.08616	12.8
97.02885	8.8
97.06526	7.2
99.04455	7.0
99.08108	1.4
105.07026	6.5
107.08601	19.0
109.02872	6.5
109.06517	39.9
109.10157	17.0
111.08078	13.2
117.07063	2.0
119.04935	1.6
119.08593	7.1
121.06500	2.3
121.10165	20.1
123.04461	4.0
123.08059	4.9
123.11698	13.7
125.09633	5.9
125.13255	2.7
127.03928	16.3
127.07557	4.0
128.06190	1.7
128.07089	4.7
129.05490	2.0
129.10225	2.0
131.08592	3.1
133.10136	8.5
135.08047	5.5
135.11737	3.5
137.05984	4.6
139.07594	2.5
139.11212	3.1
141.09190	1.4
145.05020	3.1
145.10109	4.3
147.08145	3.0
147.11671	2.4
149.02249	2.1
149.09660	3.6
149.13257	21.5
150.13596	1.8
151.07570	2.5
151.11157	2.2
153.09079	7.1
155.10721	2.6
156.05643	2.3
158.10950	1.6
159.11609	2.1
161.13278	1.7
163.11108	1.6
163.14803	8.0
165.09132	2.3
167.07062	5.4
167.14314	22.9
171.10201	2.6
173.09616	2.5
173.13263	6.1
181.12204	1.9
191.14297	19.6
194.02083	2.6
205.07082	2.4
209.04509	12.4
209.15352	24.8
217.08592	1.9
227.08612	1.9
227.16354	2.2
235.07346	1.8
237.14961	1.9
353.15680	1.5
353.19690	2.8
359.15714	1.6
371.16772	100.0
371.20590	6.3
372.17056	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	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	11.9
55.01873	16.9
55.05512	22.3
57.03436	8.4
57.07075	3.6
61.02915	6.2
62.37247	3.8
64.38727	3.4
65.03934	7.7
67.05502	23.8
69.03435	24.9
69.07069	24.3
69.20889	3.2
69.48217	9.4
69.48631	10.7
70.06602	6.6
71.01340	12.9
71.04988	22.7
73.02921	5.7
77.03939	4.4
79.05496	33.1
79.62338	3.4
81.03423	22.9
81.07065	41.5
83.01329	9.6
83.04991	27.8
83.08615	8.1
85.02918	27.3
85.03405	5.3
85.06545	28.1
91.05480	38.2
93.07047	68.6
95.04973	29.9
95.08611	51.8
97.02905	12.0
97.06516	16.8
97.10136	3.4
99.04462	27.4
101.02390	5.3
103.03948	4.7
103.05463	10.7
105.07041	59.4
107.04958	38.5
107.08596	67.7
109.02869	16.5
109.06516	30.1
109.10146	32.5
110.08368	3.8
111.04451	14.1
111.08085	14.5
113.09583	5.9
117.07041	14.7
119.04972	7.1
119.08585	38.3
121.06507	57.0
121.10155	59.5
122.03606	4.1
123.04437	29.4
123.08082	18.6
123.11700	11.6
125.06000	14.2
125.09594	5.2
127.03918	35.8
127.07570	4.6
128.06203	4.0
129.07036	12.6
131.04900	10.7
131.08575	33.7
133.06520	11.3
133.10124	54.5
135.04420	12.2
135.08052	45.8
135.11673	9.0
136.07588	5.6
137.05983	23.8
137.07915	6.4
137.09630	4.5
139.07527	12.5
139.11166	11.4
142.07758	5.5
143.08568	12.8
145.04965	78.1
145.06474	7.1
145.10117	16.9
147.04469	8.6
147.08038	6.8
147.11691	30.5
149.05978	43.7
149.09637	36.4
149.13298	17.6
151.03917	20.6
151.07542	11.0
151.11191	23.7
153.09125	9.0
155.08539	5.3
157.10129	16.4
158.10899	4.1
159.08072	13.7
159.11723	19.8
161.05917	8.2
161.09633	16.0
161.13185	4.2
163.03981	4.2
163.07547	33.5
163.11183	8.2
163.14825	12.0
164.06999	5.6
165.12752	8.7
167.07060	25.4
167.10674	3.9
169.10161	6.1
171.11682	14.1
173.05954	5.2
173.09619	9.1
173.13278	31.1
175.07547	7.9
175.11261	21.7
175.12505	4.0
177.05440	5.3
177.09134	7.0
177.12726	17.9
179.10628	18.6
181.08588	16.9
183.11630	6.5
183.50302	5.1
187.07547	7.0
189.12698	8.5
191.06967	5.3
191.10660	11.2
191.14337	56.7
193.08633	5.5
193.12288	13.1
199.11111	9.0
201.09093	5.4
201.12788	17.0
203.14293	5.4
205.06403	3.8
205.12294	4.2
207.08031	4.8
209.08018	7.7
209.13618	4.4
209.15378	15.4
211.13179	7.1
215.14368	4.8
217.08598	9.1
217.12192	11.2
219.13803	98.2
224.08386	4.9
225.09100	5.0
231.13901	4.6
233.15392	4.8
234.06862	7.0
235.07574	6.0
235.13306	10.0
237.14853	100.0
238.15181	5.9
241.12250	16.4
249.09155	7.2
251.16473	5.0
257.15436	7.8
261.09042	5.2
269.15320	6.0
275.16391	5.0
277.08551	4.9
279.10303	3.5
279.19214	3.6
281.15103	4.5
287.16403	7.2
295.09579	5.0
299.16324	7.2
305.17401	5.4
309.11005	5.0
317.17447	14.0
321.10974	7.1
335.18585	7.5
339.12286	24.7
353.19537	20.5
371.16299	57.3
371.20914	5.3
372.15857	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14190	3.4
53.03936	5.0
55.01870	8.3
55.05518	22.5
57.03444	8.3
57.07072	19.4
61.84966	3.7
64.80590	3.6
66.78534	4.3
67.05499	18.0
69.03436	41.7
69.07070	42.3
69.41514	21.6
70.06593	40.2
71.01364	4.3
71.01741	3.8
71.04985	11.8
71.08604	5.3
72.08150	15.9
73.04761	7.6
79.05496	34.2
81.03423	16.4
81.07058	100.0
81.07529	7.5
81.72710	4.9
83.04990	34.4
83.08624	46.8
84.04520	9.2
84.08142	20.7
85.02913	43.1
85.06556	9.9
86.09710	20.1
91.05421	13.5
91.05827	16.8
93.07052	31.8
95.04961	9.3
95.08609	19.8
97.02883	22.6
97.06541	17.3
98.23448	3.7
99.04449	8.8
103.03984	3.9
105.07050	12.7
107.04973	7.6
107.08608	42.8
109.02888	12.7
109.06519	57.7
109.10152	42.0
110.07145	6.4
111.04458	9.3
111.08119	25.2
118.92482	4.7
119.08606	10.6
121.06476	6.1
121.10139	45.7
123.08096	5.3
123.11719	22.7
125.06028	4.4
125.09654	5.6
125.13303	15.4
127.03917	25.7
127.07530	4.8
129.05499	7.8
129.10210	8.7
130.08577	4.1
131.08594	8.7
133.10143	14.7
135.08054	9.6
135.11725	9.7
137.06032	4.9
137.09589	5.1
139.07567	4.4
139.11189	10.6
143.08632	4.8
145.04947	5.3
146.06018	4.7
147.04448	5.4
147.06573	5.8
147.07841	4.2
147.11745	4.4
149.02365	5.3
149.09496	6.2
149.13257	54.3
151.03925	4.2
153.09148	11.7
163.14850	20.1
167.07033	6.3
167.14317	59.2
171.10168	10.5
173.13194	15.0
177.05479	4.2
181.12311	4.0
191.07036	4.3
191.14273	29.7
192.06485	5.8
194.02150	16.3
201.12444	4.8
209.04475	57.1
209.07927	5.7
209.15402	38.1
210.04729	4.9
227.16423	7.1
241.96060	4.0
267.54449	4.2
285.00858	15.7
335.18771	4.1
342.31512	4.7
353.19345	4.9
355.06879	8.7
371.09042	7.5
371.12390	21.6
371.17285	29.9
371.20660	7.6
371.24319	5.0
383.58298	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04057	3.2
53.03951	3.8
54.22196	3.5
55.05513	37.1
56.70783	3.9
57.03440	25.0
57.07068	11.7
61.04179	3.8
61.23809	3.5
64.73969	3.7
67.05508	75.6
69.07057	23.1
71.05003	4.6
71.08639	24.6
79.05492	29.0
81.07059	100.0
83.04973	7.2
83.08627	19.2
84.08112	3.8
85.10186	18.9
91.05459	30.0
93.07045	35.8
94.91446	3.6
95.08055	5.1
95.08618	75.2
96.17283	4.0
97.06528	9.4
97.10167	10.4
99.08092	24.2
105.07044	15.1
107.08609	18.1
109.10172	25.1
113.09670	25.1
119.08585	18.4
120.29822	3.7
121.10142	16.8
123.08123	4.2
123.11726	5.8
131.08589	8.6
133.10147	16.8
135.11687	13.7
137.13219	7.7
139.11197	5.1
145.10117	8.4
147.11703	15.8
149.13275	12.4
151.14992	5.1
154.43510	4.4
159.11646	4.0
161.13290	6.1
165.12729	4.4
167.14392	5.1
173.13211	6.1
177.16493	5.1
179.14363	5.6
213.81886	3.9
243.21172	8.5
253.17993	5.2
261.22195	11.4
273.10754	11.1
279.23193	38.1
283.94916	3.7
287.16019	3.9
353.26801	12.8
371.18088	4.0
371.27780	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71539	1.7
53.03947	5.0
55.01877	6.3
55.05514	45.2
57.03445	19.8
57.07074	6.8
61.57899	1.5
65.03941	3.6
66.36246	1.4
67.05508	100.0
68.05840	2.0
69.03394	2.0
69.07073	75.6
69.78561	4.7
69.78898	1.5
71.05008	7.8
71.08643	3.2
78.75867	1.5
79.05499	40.4
79.05955	2.5
81.03424	2.0
81.07061	95.8
82.07389	2.3
83.04987	8.1
83.08617	18.2
85.06546	5.5
91.05474	13.7
93.07053	43.1
94.07355	1.6
95.04972	1.7
95.08610	69.4
97.06537	10.5
97.10180	14.3
99.08096	3.1
101.06085	2.7
105.07025	7.9
107.08607	23.4
108.31023	1.8
109.06539	2.9
109.10159	44.8
110.10484	2.4
111.08118	3.2
111.11707	2.9
117.07063	3.4
119.08575	8.6
121.10153	26.0
123.08064	3.1
123.11707	13.7
125.09660	5.1
129.05444	1.6
131.08585	6.7
133.10130	6.2
135.08047	3.6
135.11716	14.2
137.09608	2.0
137.13243	9.7
139.11183	11.3
145.10187	3.2
145.45834	1.6
147.06551	3.2
147.11687	5.1
149.09660	3.5
149.13298	6.2
151.14867	3.2
153.12772	4.1
155.10663	2.8
159.11775	1.9
161.13292	4.5
163.14839	4.4
165.12766	1.7
167.74553	1.7
173.11765	15.6
173.13284	5.4
177.12814	1.6
177.16327	2.6
185.11757	2.4
187.14896	2.4
189.11287	2.1
191.14273	1.8
203.12798	1.9
209.15311	2.0
229.14372	2.2
243.21162	4.8
261.22168	12.6
279.23221	28.8
280.23569	2.1
289.09998	1.5
304.88049	1.5
314.87775	1.7
353.26770	9.4
371.12183	9.6
371.27945	35.0
372.12552	1.6
372.28204	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01884	6.9
55.05516	42.9
56.05862	1.9
57.03436	6.7
57.07076	9.7
59.05006	2.4
67.05510	100.0
68.05851	2.0
69.03428	4.0
69.07074	54.2
69.68858	6.6
71.04996	5.3
71.08640	24.6
79.05500	47.2
79.89367	1.4
81.07064	98.7
82.07396	3.1
83.04987	9.2
83.08622	26.6
85.02908	2.4
85.06553	6.3
85.10126	1.4
87.04482	8.5
88.07629	5.4
91.05487	21.8
92.05838	4.5
93.07051	44.3
95.04977	4.0
95.08613	74.8
96.08960	2.7
97.06544	14.9
97.10175	30.1
97.10773	2.6
99.08098	21.9
105.07038	19.2
105.69481	1.5
107.04963	2.6
107.08599	40.4
107.73908	1.4
108.08926	2.7
109.06524	4.1
109.10165	46.4
110.10495	3.3
111.08087	6.7
111.11710	3.9
113.09691	2.4
117.07037	6.4
119.08580	16.0
121.06534	1.6
121.10146	21.6
123.08080	3.1
123.11712	19.9
125.09636	18.1
127.07607	1.7
127.11172	2.3
129.05420	1.9
130.44203	1.5
131.08565	10.0
131.17488	1.4
133.10147	10.5
135.08076	4.1
135.11713	28.3
137.09642	3.4
137.13263	10.7
143.08609	2.4
143.10728	2.0
145.10110	9.7
147.11693	18.5
149.09563	3.1
149.13229	7.6
151.11223	3.3
151.14871	3.7
153.12753	11.7
155.10651	2.4
157.10173	1.7
159.11717	6.4
161.13269	7.6
163.11180	3.3
163.14815	9.3
165.12828	7.8
165.70212	1.5
167.14250	3.1
171.11664	2.2
173.11754	6.9
173.13281	9.5
175.14806	3.7
177.12810	2.4
177.16362	4.0
179.14330	3.1
181.12303	2.0
181.15886	2.8
183.11742	1.8
185.13350	1.7
187.11258	1.7
187.14857	4.9
189.11259	13.0
191.14272	2.1
195.14020	1.8
201.16393	4.0
209.15375	2.1
211.14839	2.1
223.16937	3.3
227.12799	6.0
233.22696	4.8
243.21135	15.8
245.13768	3.3
251.23645	2.1
258.14114	1.8
261.22156	34.9
262.22556	2.0
279.23212	67.6
280.23691	4.3
315.20407	2.2
324.32669	4.0
353.26895	46.5
354.27219	5.0
371.29099	7.7
372.30756	2.6
372.34796	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32327	1.4
53.03938	3.0
54.63426	1.5
55.01865	6.2
55.05514	43.7
57.03436	5.6
57.07073	8.4
59.04993	2.7
63.24950	1.4
65.03933	3.0
67.05508	100.0
68.05832	2.3
69.03420	4.2
69.07072	52.0
69.27295	8.2
71.04983	7.3
71.08630	4.5
79.05495	44.2
81.07063	94.2
82.07388	2.6
83.04976	7.5
83.08627	24.6
85.06538	6.6
87.04472	2.7
91.05477	11.1
93.07053	41.6
95.04951	2.0
95.08608	72.0
96.08971	3.0
97.06540	11.3
97.10182	22.8
99.08083	1.6
105.07043	14.8
107.08602	40.6
108.08917	2.5
109.06509	4.2
109.10159	54.6
110.10487	3.0
111.08084	4.9
111.11723	4.1
113.09705	3.2
117.06975	7.1
119.08567	12.5
121.06586	1.6
121.10145	20.5
123.08069	3.1
123.11723	19.2
125.09662	14.0
125.13309	2.1
131.08549	9.1
133.10135	11.1
135.08063	4.8
135.11710	27.4
137.09639	3.6
137.13289	9.8
145.10138	8.8
147.11703	8.8
149.09659	3.6
149.13261	10.9
151.11201	2.1
151.14812	3.8
153.09087	1.8
153.12723	11.7
157.10153	1.6
159.11690	7.2
161.13275	6.3
163.11153	2.1
163.14853	5.8
165.12756	4.8
171.10237	3.1
171.11682	2.3
173.11757	6.3
173.13297	9.9
175.14810	5.3
177.12740	3.4
177.16422	4.3
179.14301	3.5
187.14815	5.7
189.11182	11.1
189.16432	3.0
191.14272	3.0
193.15833	1.7
193.98868	1.4
195.13779	1.8
201.16350	2.8
205.15900	2.4
209.15388	3.1
223.16875	3.6
227.12817	6.0
233.22705	2.5
237.31372	1.4
243.21178	11.1
245.13849	3.0
261.22153	29.9
279.23187	55.6
280.23483	4.0
353.26929	33.1
354.27155	2.6
371.28903	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	372.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
53.21452	0.4
55.01853	1.1
56.96561	1.2
57.03432	1.6
61.02937	3.0
62.06084	0.9
69.03435	6.8
70.06581	1.6
70.42858	0.4
70.43208	1.1
71.04980	1.0
72.04507	1.4
72.08125	0.5
73.02911	1.2
74.06084	0.4
79.05490	1.3
81.03417	2.7
84.04493	0.6
84.08143	0.9
85.02908	16.3
86.03226	0.3
86.09706	1.6
87.04446	0.9
91.03932	0.5
91.05418	1.9
97.02895	6.0
98.97594	1.8
99.04455	1.2
103.05470	3.7
105.07030	5.2
107.04941	1.5
109.02873	2.5
115.03935	0.7
116.98649	0.6
117.05732	0.5
117.07023	2.2
118.06535	2.4
119.07337	3.4
119.08561	0.5
120.07335	0.5
120.08131	5.2
127.03925	3.2
128.06197	0.4
128.98576	0.4
129.07013	3.6
130.08575	0.4
131.04913	1.6
131.07269	0.8
133.06512	0.7
144.08054	0.7
145.04974	2.2
145.06493	0.7
146.09633	6.6
146.10719	0.5
147.11311	0.5
149.06062	0.4
150.09143	0.7
152.07051	0.9
153.79384	0.4
157.06526	0.6
164.10716	100.0
165.11079	3.7
174.09128	0.9
189.03972	0.6
192.10204	4.8
199.37553	0.5
206.11795	0.5
210.11259	85.2
211.11617	4.4
232.96432	0.4
234.11310	0.7
237.02811	0.5
313.08890	0.5
330.15750	0.4
336.14368	0.4
372.10577	1.7
372.16788	4.2
373.10562	0.5
373.14615	3.1
373.25320	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01873	12.1
56.05039	2.9
56.96574	3.2
57.03441	22.9
59.05018	3.4
60.04512	2.9
60.28158	2.1
61.02931	15.5
69.03436	34.7
69.07090	2.5
70.06590	8.4
71.01354	6.8
71.04996	19.7
71.30730	2.0
72.08159	5.5
73.02921	79.4
74.06081	2.3
81.03410	6.0
84.04510	5.3
84.08139	8.6
85.02909	100.0
86.09699	18.2
87.04459	8.0
89.02409	2.3
89.06029	14.0
91.03948	5.0
95.01304	5.7
95.04985	2.3
96.08156	2.0
97.02898	55.0
98.97581	7.9
99.04475	13.4
101.02377	9.4
101.05993	2.7
103.03945	3.6
106.06560	4.9
109.02868	9.2
110.07189	2.6
111.00811	3.7
111.04473	3.1
115.03945	29.9
115.24081	2.1
116.07066	2.4
116.98607	4.5
117.05520	3.7
124.07598	6.6
127.03916	28.8
128.07050	4.5
129.01840	11.7
129.05472	3.5
129.10199	3.3
130.04993	3.3
130.93282	2.6
133.04974	40.6
137.05965	3.0
141.01819	2.8
141.05466	2.5
143.03384	8.3
145.04964	51.7
147.07623	2.8
147.11481	2.4
148.06129	2.2
152.07080	2.1
155.03384	4.7
157.01361	4.6
157.05008	2.8
161.04506	9.5
162.07611	4.0
163.06041	23.9
165.05510	3.1
171.02873	8.8
185.04474	5.5
189.03954	19.0
199.05917	2.2
199.18066	2.4
203.05510	6.9
210.11244	4.4
221.06593	7.8
223.06006	5.5
223.11839	3.1
232.96446	2.3
241.07034	10.7
256.97382	3.0
259.08087	15.4
261.06042	5.6
262.97531	2.7
265.02481	3.1
275.07697	2.5
279.94397	3.4
295.10187	2.7
305.08597	16.0
319.10162	6.7
329.12051	2.7
356.06891	3.0
372.12405	12.0
372.16406	10.1
373.10999	3.6
373.14761	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.8
55.14659	0.8
55.68435	0.8
57.07078	9.5
60.04226	1.0
60.04526	15.4
67.05504	4.0
69.06795	0.9
69.07073	9.3
69.52395	3.9
70.06596	1.4
71.08642	5.3
78.01122	3.1
78.24697	0.7
78.61506	0.8
80.59717	0.8
81.07059	9.1
83.08620	5.7
83.89219	0.7
85.10179	1.3
87.04475	2.5
88.86818	0.9
89.01585	1.1
95.08609	6.6
97.10168	2.4
109.06507	0.8
109.10149	3.1
123.11643	1.6
175.34761	0.8
268.30026	7.2
294.31516	2.6
330.29196	20.4
331.29462	1.2
372.30276	100.0
373.30640	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	372.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06369	0.6
55.05511	1.7
57.07076	6.6
67.05521	1.4
69.07059	2.5
70.06592	25.3
71.08636	4.8
71.31865	1.0
81.07053	2.0
83.08627	1.6
85.10181	2.0
87.04469	6.7
88.07630	100.0
89.07952	1.7
95.08588	2.8
97.10190	1.8
106.08666	23.8
109.10107	0.9
193.47906	0.6
194.46895	0.6
195.89311	0.6
235.61659	0.7
311.26572	0.6
311.29413	26.7
312.29547	1.9
372.30969	1.7
372.34735	28.1
372.38107	1.0
373.34955	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	373.0557
Annotation	Norstictic acid
Peak:m/z	Relative Intensity
53.03924	1.5
55.01842	2.9
55.05473	2.2
57.03393	1.0
61.02905	0.7
65.03914	1.2
66.90604	0.7
67.01820	2.3
67.05510	5.3
68.99801	3.6
69.03431	4.0
69.07034	5.2
69.07451	6.9
69.39515	0.8
70.06580	1.0
71.01296	0.8
71.05003	5.2
79.05499	5.0
81.03422	4.9
81.07056	4.9
83.04934	2.6
83.08570	2.6
84.08105	2.7
84.50680	0.7
85.02902	5.9
85.06525	1.3
86.09715	11.3
87.00778	0.9
87.09999	0.9
91.05473	8.0
93.07052	4.9
95.04963	7.3
95.08608	5.6
96.08960	0.7
97.02884	0.9
97.06520	1.1
99.04411	2.4
103.05429	1.7
105.03329	2.3
105.07034	5.4
107.04937	3.5
107.08597	5.1
109.02833	3.3
109.06503	4.2
109.10177	3.8
111.04382	2.2
111.08051	1.3
117.06971	1.4
119.04906	2.4
119.08611	4.3
121.06520	4.4
121.10114	2.9
123.04436	3.4
123.08082	3.4
123.11700	0.8
125.05910	1.3
125.09631	4.1
127.03881	1.8
129.01851	1.1
129.05449	0.9
129.06995	1.5
129.10153	0.8
131.04916	1.2
131.08528	3.1
133.02809	0.8
133.06514	1.5
133.10104	1.7
135.08044	2.8
135.11697	1.0
137.02304	1.9
137.05966	11.1
137.08797	0.8
137.09622	8.4
141.09041	1.9
143.08531	1.0
145.02866	1.2
145.04982	0.7
145.06441	1.5
145.10080	2.6
146.11780	1.2
147.02911	1.1
147.04366	2.5
147.11700	1.4
149.06003	1.7
149.09592	1.1
151.03923	4.2
151.07509	2.8
153.01830	73.8
154.02138	2.7
157.06454	0.9
157.10086	1.4
159.08043	0.8
159.11630	1.7
161.02339	68.9
161.05920	2.3
161.09560	1.4
162.02644	1.9
163.07613	3.6
163.08768	0.7
163.11194	1.2
165.05421	2.6
165.06821	1.3
165.09140	0.9
167.06995	3.3
167.10648	2.8
169.10126	1.2
171.11639	1.1
173.05965	2.1
173.09569	1.7
173.13219	0.8
175.07538	2.0
177.05440	2.5
178.07791	0.7
179.07022	1.5
179.10689	1.4
181.04987	1.3
181.06503	1.7
185.13359	0.9
187.03903	1.5
189.09071	2.4
191.03432	1.3
191.07001	1.7
191.09024	0.7
191.10643	4.2
193.04930	0.9
193.12135	0.9
197.05988	1.7
199.18037	2.4
201.05495	3.9
205.01358	2.0
205.12224	1.5
207.02821	1.1
209.11691	5.6
211.03896	1.0
211.14948	0.8
213.05508	2.2
215.03331	2.3
221.06079	0.9
223.02376	5.0
224.04620	1.1
225.05495	2.5
227.17445	1.0
228.04189	0.9
229.04904	3.0
233.11662	7.6
239.03360	0.8
242.05667	1.9
245.04520	1.0
251.12837	1.7
252.04176	3.0
253.04906	7.4
253.12125	0.9
254.05482	1.1
257.04468	2.1
258.05106	1.1
267.02658	0.9
267.10077	1.1
269.04340	1.0
270.05106	1.1
271.02505	1.6
271.05963	0.8
280.03741	0.9
281.04495	3.9
281.11530	1.1
282.05206	2.5
284.03134	12.2
285.03873	4.8
285.11319	1.5
286.04645	1.5
290.57416	0.7
295.02390	0.9
297.03946	6.7
298.04715	28.1
299.05460	24.7
300.05939	1.4
312.02585	15.8
313.03418	82.9
314.03683	6.4
325.10504	1.1
327.04977	100.0
328.05240	7.5
355.04477	39.9
355.13788	1.0
356.04843	4.1
373.05536	81.5
373.13199	2.3
373.28433	2.4
374.05887	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
57.03437	1.1
66.06219	1.1
69.14336	7.0
69.14761	3.3
71.04984	1.2
74.33661	1.1
79.05493	2.8
85.02911	3.8
86.09712	3.8
88.29939	1.2
93.55361	1.3
95.01318	2.4
95.04975	4.8
105.03394	100.0
106.03729	2.9
113.02376	1.5
123.04441	3.3
124.07583	1.1
137.05980	2.3
141.01811	4.4
179.07043	24.1
179.08492	2.1
197.08081	9.6
203.31219	1.2
223.80257	1.1
275.38284	1.1
278.64761	1.4
315.58383	1.3
341.14108	1.7
373.18341	64.7
374.10373	1.4
374.18652	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	373.1283
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
51.02388	1.2
51.36429	0.8
53.03940	3.4
55.01869	6.1
55.05517	1.9
60.42642	0.9
65.03933	1.2
65.84714	0.9
67.05513	1.9
69.07047	0.9
70.06578	2.2
70.67615	2.2
72.08163	3.0
72.79517	0.8
77.03934	1.0
78.04713	2.0
79.05493	21.8
81.07066	3.1
83.04998	2.6
83.06087	1.5
84.04475	2.2
84.08141	3.4
86.09716	11.0
88.87221	1.0
89.03927	6.5
90.04726	1.3
91.05485	12.4
94.04173	1.3
94.47545	0.9
95.04977	4.2
95.08628	1.4
103.05472	12.7
104.06275	6.0
105.03415	1.8
105.04507	1.8
105.07034	14.9
106.04192	1.9
107.04324	0.9
107.04957	23.3
107.08593	1.2
109.06561	2.0
111.04480	1.7
111.08101	0.9
115.05475	5.4
117.03390	17.2
117.07034	2.3
118.04171	3.2
119.04947	8.5
119.08627	1.2
121.06526	3.6
123.04448	1.2
125.05978	1.3
128.06256	1.3
129.10225	1.2
131.04930	38.5
131.05936	2.0
132.05722	32.9
132.10156	1.0
133.02803	2.1
133.06509	12.9
134.03650	2.3
134.06827	0.9
135.04419	49.0
136.04822	2.9
137.05975	15.8
138.09126	1.1
139.03923	1.6
139.07596	1.2
145.02847	21.7
145.06494	3.0
146.11752	1.1
147.04434	11.2
148.05164	2.3
149.05974	10.3
151.03917	1.5
151.07565	1.8
153.05501	2.8
159.04483	1.4
160.05215	14.7
161.05988	29.2
162.06529	1.8
163.03912	50.9
163.07530	7.5
164.04265	2.8
165.05479	3.7
167.07025	13.4
173.06003	3.3
175.03929	1.4
175.07611	2.7
176.59769	1.0
177.05464	44.3
178.06169	4.4
178.07724	1.6
179.07051	6.3
180.07875	5.9
181.04936	2.0
181.08620	3.5
182.12936	1.6
182.15497	1.5
183.11359	2.7
189.05525	1.5
189.09145	1.2
191.07018	13.9
192.07814	100.0
193.05116	4.8
193.08559	27.5
201.05475	10.7
202.65701	1.0
203.08894	1.2
206.07309	1.3
207.06552	4.7
209.13649	1.6
210.06908	1.1
210.08795	1.0
211.07539	1.2
219.06575	3.9
221.06076	1.5
222.06676	1.3
223.07640	1.2
225.07561	1.6
234.06880	1.2
239.07033	2.7
250.06213	1.5
251.06950	1.2
253.08582	1.4
263.06876	1.4
277.08575	2.3
279.06464	1.1
281.08276	1.2
283.09497	1.4
295.09671	1.7
305.08157	2.2
309.11057	1.3
311.08771	1.2
313.10748	2.4
323.09149	4.0
327.12296	1.6
337.10754	2.2
337.21216	1.6
341.10205	2.9
343.11761	1.8
355.11664	5.5
355.23038	1.6
373.12939	7.3
373.18069	2.8
373.28894	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21392	0.6
53.03936	2.5
55.01882	4.7
63.18230	0.6
65.03943	2.9
67.05499	2.4
71.01350	7.0
71.31802	0.7
77.03934	1.2
79.05492	5.5
81.03421	1.4
81.07045	2.3
84.08138	1.4
85.02892	0.8
91.05480	9.2
93.03412	2.1
93.07056	4.3
95.04968	7.9
95.08602	2.3
103.05463	8.1
105.04533	1.0
105.07034	2.6
107.04963	8.3
107.08604	1.0
108.02100	2.4
109.02881	1.9
109.10129	1.0
110.03674	1.5
111.04449	2.8
117.03378	0.7
117.07030	0.8
118.04176	4.9
119.04972	5.7
119.08604	1.5
121.02866	0.7
121.06512	6.0
123.04401	5.6
124.05202	2.1
125.06001	7.9
131.04958	4.1
131.08563	2.2
132.05736	1.2
133.02863	2.1
133.06474	2.0
133.10107	0.7
134.03708	1.0
135.04422	12.0
137.05972	4.9
141.05458	2.5
145.06538	0.9
145.10097	1.3
146.03650	6.4
147.04424	12.1
147.08009	0.8
149.05960	6.1
150.03174	0.9
150.06779	8.8
151.03912	100.0
151.04990	7.9
152.04318	2.2
153.05460	12.0
157.06554	0.9
157.10139	0.8
160.05182	1.5
161.05975	9.2
163.03920	6.5
164.04709	1.2
165.05498	4.7
166.06255	1.1
167.07077	5.4
173.06126	0.8
175.07568	3.4
177.05473	17.8
178.06253	52.9
179.07005	9.4
181.05002	0.9
195.06534	6.5
195.08133	0.9
196.07314	34.3
197.07675	1.1
197.13176	0.7
203.07036	7.8
204.07489	1.1
221.08064	4.3
231.06526	0.7
239.07532	0.8
245.36505	0.6
249.16228	0.7
251.07045	1.0
251.62439	0.8
265.08618	1.3
277.08542	1.1
323.09238	1.8
325.10648	1.1
327.12158	1.1
343.11798	2.2
355.11755	0.9
373.12698	3.0
373.28912	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
57.03444	4.5
60.05659	0.6
61.02932	1.1
69.03447	4.0
69.69222	0.7
70.06596	5.3
70.53539	0.8
70.53889	1.3
71.04998	0.9
72.08174	2.9
73.02911	0.6
79.05485	0.7
81.03416	2.8
81.07063	0.8
84.04492	2.7
84.08151	3.7
85.02909	14.3
86.09708	12.2
91.05868	0.8
94.04218	4.3
97.02899	3.7
99.04438	1.0
103.03909	1.5
107.04949	1.5
107.81121	0.5
109.02909	1.5
116.07133	0.7
117.05492	1.3
119.04964	0.7
121.31523	0.5
122.03653	7.9
127.03921	5.8
129.10236	1.5
130.04988	3.2
130.08687	0.8
133.05240	2.3
137.05981	100.0
138.06355	2.9
145.04961	2.6
147.07620	3.6
153.05440	1.9
165.02495	2.8
166.03197	0.8
167.07014	0.6
179.06987	0.7
194.02728	32.2
196.34860	0.6
199.18112	2.2
201.07475	0.6
210.14539	0.6
211.09619	1.2
212.03775	28.2
215.32445	0.5
225.19807	0.6
226.07878	0.7
260.16098	0.6
283.26001	0.6
287.00449	0.8
320.52191	0.6
349.68851	0.6
357.06790	0.8
373.10910	1.5
373.14725	4.6
373.25113	1.5
374.09103	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	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05516	0.7
56.05045	2.0
67.05497	0.9
69.03428	1.6
69.07069	1.0
70.06593	2.4
71.04998	0.4
71.30479	0.5
72.08158	5.6
77.73279	0.4
79.05494	0.8
80.67134	0.4
81.03430	0.5
81.07057	0.4
84.04510	0.5
84.08146	61.9
85.02890	2.1
85.06535	0.8
85.08513	0.5
86.09708	9.7
89.03917	0.5
91.05481	1.1
93.07056	0.9
95.04967	1.1
97.02890	0.5
97.06541	0.4
101.10789	2.9
105.03407	1.0
105.07036	0.7
107.04971	0.9
107.08629	0.5
109.02863	0.4
117.03390	1.6
121.10146	0.4
125.06030	0.4
129.10245	38.3
130.10616	0.7
131.04865	0.5
134.10406	0.4
135.04393	0.4
137.06030	0.8
145.02876	4.0
145.04860	0.5
149.06006	1.1
151.03896	1.3
152.14352	1.4
161.05844	0.4
163.04008	0.5
167.07056	0.5
177.05475	8.4
179.06982	0.5
185.12842	0.4
193.12041	2.8
195.06514	3.4
195.13554	1.8
197.07913	0.9
197.16527	3.0
199.18074	1.3
201.03749	3.1
203.05270	8.9
203.06944	0.4
211.09557	0.5
211.14554	0.7
212.12759	0.4
224.17570	1.3
225.16031	0.9
228.17131	0.6
242.18602	4.0
245.18651	1.7
260.19626	0.8
373.10803	5.7
373.18390	100.0
373.28091	10.9
374.11295	0.6
374.18646	6.4
374.28238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
55.05506	1.9
56.05021	1.4
56.31967	0.7
69.03420	2.5
69.07067	1.5
70.06586	2.8
71.04987	1.3
72.08159	8.9
79.05496	1.8
80.14226	0.7
81.03407	1.1
81.07055	2.1
82.06599	1.0
83.04973	1.1
84.04504	3.9
84.08144	26.0
85.02890	3.8
85.06537	0.9
86.09705	75.8
87.10079	0.8
89.03956	1.0
91.05479	1.9
91.43932	0.8
93.07063	0.8
94.26425	0.7
95.04961	1.5
95.08556	0.9
97.02876	1.2
97.04040	1.1
100.07602	1.0
101.10782	1.3
103.05493	1.0
105.07040	2.1
107.04952	2.0
107.08604	1.3
111.04472	1.1
116.07085	1.5
117.03368	1.3
119.04944	1.2
119.08654	0.8
121.06541	1.0
127.03899	1.1
128.07083	4.8
129.07472	1.6
129.10229	18.1
130.05017	2.7
131.47328	0.7
133.06483	1.7
135.04427	0.8
137.05971	4.0
144.06554	1.6
145.02853	5.4
147.04375	1.0
148.06052	5.9
149.06015	1.5
151.03925	2.2
151.07567	2.0
161.05983	3.0
161.09221	1.7
163.04076	1.1
163.07553	1.2
166.08667	0.9
167.07050	1.5
171.14919	1.0
177.05460	8.0
177.16858	0.8
179.07106	1.6
181.05026	1.0
185.12889	1.6
191.07005	0.9
193.08572	0.9
193.11984	4.1
195.06552	3.9
195.13557	16.1
196.07298	1.3
197.07855	3.2
197.16516	1.2
199.14403	0.7
199.18054	22.4
201.03720	16.9
201.05493	2.4
203.05243	8.6
210.07758	0.8
211.09489	1.1
224.17520	0.9
227.08467	1.7
227.17516	9.9
228.08826	2.1
242.18672	1.6
260.19580	1.0
261.14423	5.4
373.10977	13.2
373.15054	5.7
373.18375	100.0
374.11578	1.1
374.18674	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	373.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51684	0.6
55.05506	0.8
56.05034	4.3
65.03928	0.9
67.05502	1.7
69.03455	0.9
69.07086	3.7
70.06602	3.7
70.88136	0.6
71.04963	1.4
72.08150	3.4
79.05497	2.1
81.07045	1.2
82.14352	0.5
83.05030	0.6
83.06102	31.9
84.04504	40.6
84.08143	4.4
85.02895	1.1
85.04858	0.6
86.09705	100.0
87.10030	1.1
91.05487	2.3
92.19198	0.6
93.07036	1.2
95.01340	0.6
95.04962	2.2
96.04485	2.1
96.08125	2.7
98.22587	1.1
98.97569	0.8
101.07140	6.5
102.05528	1.8
103.05486	1.8
105.03387	0.8
105.07011	1.8
107.04929	1.8
108.08144	1.0
110.09715	1.8
113.07140	3.2
115.05446	0.8
117.03388	1.2
119.04957	1.5
119.08595	0.6
120.08099	2.0
123.04415	1.5
124.07588	3.8
129.06581	7.8
129.10249	2.0
131.04941	0.9
132.05721	1.4
132.10202	32.5
133.06503	1.8
134.06070	1.0
135.04402	0.8
136.61635	0.7
137.05949	3.1
138.09149	1.4
141.06596	4.4
145.02879	1.9
145.06502	0.8
147.04413	1.5
147.08063	1.4
149.06046	0.9
151.03906	1.8
151.07608	0.8
152.07098	0.8
152.10715	5.6
153.05533	1.5
154.08653	1.5
157.13431	0.9
160.03969	2.7
161.06017	2.3
163.07523	1.2
166.08675	3.9
167.07037	9.1
168.07375	1.0
169.13354	3.2
175.07520	3.8
177.00655	0.8
177.05504	2.1
179.07048	2.0
187.07578	1.3
191.07045	0.9
193.08632	2.5
196.14442	25.7
197.12863	22.7
197.14642	1.6
199.18069	0.8
201.05453	1.1
204.06596	1.0
213.09148	0.8
214.15494	13.6
214.17439	0.8
214.45512	0.7
215.13924	6.6
215.15868	1.0
220.06075	1.7
224.13934	13.3
225.12305	4.9
228.27802	0.8
237.09120	0.8
239.06982	0.8
242.14980	7.2
243.13304	4.4
245.18721	1.7
253.08734	0.9
265.08569	0.9
271.14478	0.9
281.08282	0.8
289.15317	1.6
299.09329	1.7
305.09039	2.0
313.11115	1.6
317.14932	4.8
325.10727	0.8
327.12616	1.1
341.10410	1.7
355.11810	0.9
355.16495	1.0
355.23361	16.0
356.23541	0.7
373.10611	3.5
373.18347	8.5
373.25217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95612	0.7
63.41151	0.7
69.03448	0.7
69.07071	1.0
70.06591	2.9
71.30763	1.4
72.08160	2.2
73.81403	0.8
79.15325	0.7
84.04507	2.2
84.08147	5.9
85.02901	1.9
86.09705	9.3
88.33939	0.7
90.20535	0.7
94.06593	0.7
97.01140	0.9
107.04954	2.9
122.06070	1.5
125.00582	2.1
129.10254	3.2
130.05009	1.7
133.05243	7.1
137.05994	6.8
138.06271	5.5
144.10236	0.8
149.02986	0.8
150.05563	0.9
161.96346	0.7
165.02448	9.8
166.03210	1.8
184.02487	0.8
191.74828	0.8
194.02716	100.0
195.03151	5.4
199.18077	1.5
212.03767	76.1
213.04047	1.8
324.03418	0.8
329.59579	0.8
345.50305	0.7
373.25513	1.1
374.09109	12.9
374.13904	1.4
375.23331	1.1
381.38248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46243	0.4
53.03956	0.4
54.56040	0.4
54.86825	0.4
55.01859	0.4
55.05516	0.6
56.05036	1.0
56.96568	1.7
57.03441	3.3
60.20039	0.4
60.21111	0.4
61.01155	5.0
63.02859	0.4
70.02969	0.5
70.06599	2.1
70.31712	1.2
71.01358	4.5
72.08163	3.7
73.02921	5.4
74.06110	0.6
75.04470	0.6
75.05613	0.4
78.03452	4.5
79.04227	0.8
79.05475	0.5
80.05024	3.5
83.01320	0.6
83.06125	1.3
84.04516	4.3
84.08151	9.5
85.02907	10.3
86.09717	6.7
87.05613	1.1
95.01331	5.7
96.04482	3.1
97.02894	1.0
98.05006	0.4
98.97581	2.7
99.00829	0.7
101.02375	1.3
101.07161	0.6
103.03935	1.5
106.02922	18.9
107.01656	0.5
107.03244	0.5
107.04989	0.6
110.06190	0.4
110.06506	0.4
110.07155	2.7
113.02377	3.1
114.05540	0.5
116.07082	0.6
116.98623	1.5
120.08124	0.5
124.03960	100.0
125.04305	2.7
127.03940	0.5
129.10255	4.5
130.05017	1.0
130.06570	0.9
130.08604	1.2
131.03441	2.2
133.06149	0.5
134.05971	0.4
134.99654	0.5
136.08664	0.5
141.01836	11.3
143.11862	0.5
147.07675	0.5
147.11266	1.3
148.07539	0.5
150.09143	0.6
153.05481	0.6
155.11824	0.5
159.02899	1.8
163.04242	6.7
166.08545	0.6
177.00752	0.5
179.03467	0.5
180.06558	15.0
181.06783	0.4
186.08774	0.7
193.10548	0.6
198.07626	74.0
199.08025	2.7
200.13982	1.1
210.11203	0.7
212.09088	0.5
212.11765	0.7
213.04401	0.9
231.05429	2.1
249.06519	0.6
255.05359	0.7
273.06516	1.2
294.14560	0.6
358.82285	0.5
374.10901	3.2
374.16904	1.9
374.24405	0.9
375.09662	2.7
375.16147	0.9
375.23361	1.8
393.10703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01861	1.0
55.05499	1.1
55.15430	0.5
56.05035	1.6
56.96555	2.5
57.03431	0.9
60.04500	0.8
61.02917	1.9
61.88340	0.5
65.03944	1.1
67.05480	0.7
69.03424	3.4
69.07069	6.1
70.06595	4.2
70.26385	1.7
71.04972	1.6
72.08158	11.2
73.02885	0.7
74.75664	0.6
74.83806	0.5
79.05489	1.1
80.43529	0.5
81.03421	2.2
84.04507	5.7
84.08144	7.7
85.02424	0.9
85.02905	12.4
86.09705	100.0
86.15839	0.6
87.00830	0.9
87.10033	3.4
87.34793	0.5
89.03931	4.4
89.92714	0.5
91.03932	0.7
91.05460	1.0
93.03388	1.3
97.02906	3.6
98.97540	0.7
99.04483	0.8
101.07146	0.6
102.05524	1.4
103.05424	0.8
107.04978	1.1
109.02885	2.1
110.07184	0.9
111.04431	2.4
116.07031	0.6
117.03393	6.4
119.04977	0.7
120.08103	1.1
121.06503	0.7
124.03949	0.7
124.99092	0.7
125.06011	3.5
127.03919	35.0
129.10252	4.0
130.05009	5.9
131.05338	1.2
135.04416	5.3
137.05980	1.3
140.07077	0.7
143.00166	1.9
143.11810	2.9
144.04715	1.2
145.02861	11.2
145.04861	2.7
147.04404	1.1
147.07639	5.5
147.11281	0.9
148.06059	5.4
148.07971	1.1
149.05992	11.8
151.03940	0.8
153.05466	12.0
155.08354	0.6
161.01244	1.6
161.06079	0.6
163.03909	17.9
164.04227	1.2
167.07048	0.7
168.06538	1.2
171.11296	1.2
175.07584	1.0
177.05472	21.8
178.05751	0.8
180.08630	1.1
186.05461	0.7
189.00705	1.1
192.12230	0.6
195.06538	19.8
196.06918	0.7
197.07852	1.2
199.18056	24.9
200.18381	1.9
203.02324	0.8
205.11873	1.6
212.03725	1.4
227.17526	10.0
228.17842	0.6
237.00711	1.1
245.06343	0.6
249.02866	1.1
255.01828	2.1
261.14429	6.2
267.69968	0.6
273.02808	1.9
331.13699	2.3
374.11224	5.7
374.23660	0.6
375.12085	4.3
375.16599	1.4
375.23279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
56.74080	1.0
57.03432	2.7
61.02918	3.4
65.03943	2.3
69.03426	6.4
69.07066	7.1
69.40408	5.8
70.06575	1.7
71.04993	1.4
72.08148	2.9
73.02906	1.5
79.05505	1.0
81.03410	3.8
84.04494	3.8
84.08144	3.5
85.02902	22.6
86.09706	100.0
87.10030	1.6
89.03899	2.8
91.03945	0.9
91.05486	2.3
93.03411	3.6
95.04974	1.1
97.02888	8.7
98.22589	1.8
99.04447	2.2
109.02862	2.5
111.04454	4.8
112.07594	0.9
117.03377	3.9
119.04994	1.2
120.08129	4.7
123.04446	1.0
125.05992	9.3
127.03915	8.5
129.10237	2.3
130.05011	3.0
137.06007	1.9
138.09158	2.4
140.07092	1.4
145.02870	10.1
145.05009	5.1
145.05943	1.0
147.07661	1.7
148.06044	6.1
148.07428	1.2
149.05969	24.4
150.06323	1.1
152.07043	0.9
153.05461	29.1
163.03943	2.1
164.75790	1.0
166.08643	2.4
167.06976	1.0
168.06558	2.9
171.68704	1.0
177.05464	24.4
178.05878	1.4
180.08609	1.6
195.06522	37.4
196.06841	1.6
199.18051	27.6
212.09071	6.0
212.10921	1.0
213.11237	1.0
227.17546	11.6
261.14407	7.1
289.12640	1.2
316.08871	1.0
331.13583	9.9
374.11481	2.2
374.15381	1.4
375.12454	25.3
375.16351	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
53.14676	1.2
55.01879	1.9
55.05495	1.6
56.05028	1.2
57.03446	4.0
65.03934	2.6
69.03427	23.6
69.05057	11.6
69.07076	3.9
70.06583	1.7
71.01352	1.2
71.05000	3.8
75.57406	1.2
79.05491	2.2
81.03410	11.0
83.06127	1.6
84.04507	11.8
84.08150	2.4
85.02910	21.6
85.06561	1.8
86.09710	43.0
87.00836	11.6
87.04514	1.3
87.10065	2.1
91.05484	100.0
92.05851	2.9
93.07050	3.0
95.04974	1.4
95.65334	1.3
96.08141	1.2
97.02894	34.2
98.22572	2.2
99.04457	9.2
102.05579	3.6
103.05460	2.0
105.01862	10.2
105.07027	1.6
107.04982	2.6
109.02910	5.1
109.06532	1.3
110.09692	1.7
115.05509	1.4
116.10677	1.3
117.06992	1.4
119.04946	2.0
120.08101	2.6
121.06540	1.6
121.10165	1.2
122.03690	1.5
123.04446	2.2
124.07625	2.9
125.09647	2.3
127.03918	35.1
129.06651	5.2
129.10249	1.7
132.10188	9.4
136.07622	1.2
137.05956	6.5
137.73723	1.4
138.09131	6.2
145.04959	21.8
147.04454	2.1
161.06065	1.5
163.07367	1.8
167.07039	14.7
170.11766	1.5
197.12912	4.7
199.18224	1.3
212.12845	1.6
215.13951	9.2
221.06201	1.6
225.12270	1.9
231.04970	16.7
237.09120	1.5
249.06047	6.5
257.11758	1.8
315.13080	2.3
325.10776	1.4
343.12766	2.5
357.13452	2.8
374.18643	9.7
375.14270	4.3
375.19830	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
53.30621	0.6
55.01866	3.0
57.03429	2.0
61.02919	2.0
65.03938	2.8
66.55514	0.7
68.99788	1.1
69.03430	14.7
70.93613	1.9
71.04984	1.9
73.02912	3.8
74.00425	0.8
75.32417	0.7
81.03425	10.2
85.02904	44.1
86.03232	1.3
86.09703	0.9
87.00303	1.3
87.00831	20.5
91.05481	100.0
92.05817	2.8
97.02890	13.5
99.04447	5.8
105.01869	24.6
105.06987	0.8
105.27540	0.7
108.04488	2.5
109.02873	11.8
115.03960	1.2
117.01814	1.0
117.06994	1.0
127.03915	31.5
128.04295	1.1
129.01837	2.4
129.07040	1.6
137.05957	1.0
143.08559	0.7
145.04958	15.5
145.06537	1.3
147.02892	1.5
151.03915	1.6
157.06474	1.2
159.02885	6.3
171.08083	1.9
175.07524	1.2
181.06400	1.0
189.03955	2.8
199.07553	1.3
211.77682	0.7
212.00487	0.7
213.03958	1.2
217.08655	0.9
231.04996	6.5
237.67929	0.7
248.07550	1.0
249.06096	2.2
252.46446	0.8
289.94229	0.8
321.09540	0.7
377.64621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
61.02935	1.8
69.03442	3.1
69.37055	2.7
69.37460	2.0
76.62236	0.9
81.03411	1.3
84.08212	0.8
85.02907	18.0
89.03927	5.9
91.03954	1.5
97.02908	6.3
99.04457	1.4
101.77979	0.8
109.02850	1.3
117.03379	18.5
117.52893	0.8
127.03916	2.8
134.03662	2.5
135.04405	1.3
145.02853	45.5
145.04959	3.0
146.03191	2.1
149.05975	7.5
153.05489	1.2
162.03284	0.9
163.03920	3.2
167.07045	1.0
177.05472	100.0
178.05830	3.3
181.11295	0.9
195.06531	50.5
196.06841	2.0
199.09409	1.1
375.07159	1.0
375.12433	4.0
396.90881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63356	0.7
57.03437	0.8
61.02930	1.3
69.03426	2.3
69.32849	5.2
70.06586	1.7
71.04967	1.9
72.08155	1.7
73.02909	1.4
81.03409	1.5
84.08135	3.9
85.02905	14.9
85.03375	1.4
86.09702	5.6
89.03918	4.9
91.03951	0.9
91.05498	2.3
97.02859	4.0
98.23344	1.0
99.04459	0.9
103.05470	0.8
105.03439	1.0
106.04276	0.9
109.02907	1.8
111.04408	0.9
117.03386	13.1
123.04427	1.0
125.02321	0.9
125.06042	1.2
127.03901	3.0
127.66546	0.8
129.10228	2.2
134.03627	0.8
135.04457	1.3
145.02855	41.0
145.04742	4.6
146.03137	1.6
149.05994	9.6
151.07561	1.1
153.05479	4.3
163.03886	4.3
167.07053	2.4
177.05478	100.0
178.05864	4.8
179.03406	4.2
180.08711	1.2
185.16432	1.1
191.07085	0.8
195.06543	47.4
196.06932	2.0
199.38643	0.8
225.07535	1.3
357.05862	1.1
375.06799	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	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01868	1.0
56.05028	1.4
57.03439	0.8
57.45366	0.3
61.02925	0.8
65.03934	0.9
68.99792	0.8
69.03432	3.3
69.07065	1.9
70.06605	0.4
71.04986	0.5
71.30977	0.4
73.02924	0.8
81.03423	2.9
84.04511	26.1
84.08147	0.6
85.02908	11.4
85.03424	0.6
85.04845	0.5
86.09710	100.0
87.00832	3.9
87.10038	1.7
91.05487	23.4
92.05819	0.7
94.05481	0.3
96.04497	1.7
97.02879	3.1
99.04456	1.3
102.05547	13.8
105.01877	7.0
105.07042	0.7
109.02904	2.8
110.06033	0.6
113.07157	1.8
114.05463	0.5
117.01832	0.4
117.83515	0.4
124.11257	0.5
126.05475	0.4
127.03922	7.1
129.01837	0.4
129.06607	4.6
132.10211	35.9
133.02843	0.4
133.10619	0.8
137.05980	1.3
140.61246	0.4
141.06604	3.9
145.04962	3.4
145.06548	0.7
148.03958	2.1
149.05963	0.8
151.03941	0.8
152.10674	2.0
159.02899	1.1
163.07516	0.5
166.05016	0.4
167.07022	1.7
170.11783	3.1
171.08263	0.5
175.07620	0.5
197.12866	19.5
198.13193	0.8
199.07576	0.5
204.06590	0.6
215.13927	31.8
216.14276	1.0
225.12340	7.4
226.12798	0.5
227.11325	0.4
231.05022	1.9
243.13417	8.9
245.18596	3.0
249.06116	0.4
273.12161	0.4
299.66745	0.4
301.11871	2.3
318.55515	0.3
356.21954	0.9
374.13208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27601	0.2
53.03950	0.4
55.05516	0.6
56.96571	2.1
57.03444	0.5
58.60082	0.2
61.02921	0.6
63.36924	0.3
65.03941	0.6
69.03433	1.2
69.07072	5.8
69.21116	1.9
70.06596	1.8
70.63886	0.3
71.05009	0.4
72.08151	2.6
73.68332	0.3
79.05476	0.8
81.03427	1.0
81.08505	0.3
83.04981	0.4
84.04515	3.4
84.08155	2.3
85.02913	4.5
85.20344	0.3
86.09708	100.0
87.10033	2.2
89.03919	3.0
91.05478	1.0
93.03406	1.0
97.02888	1.7
98.97571	0.3
102.05552	1.7
103.05479	0.4
107.04983	0.6
109.02873	0.6
110.07178	0.6
111.04459	1.4
117.03371	2.8
119.04966	0.5
120.08076	0.3
123.04465	0.4
124.99142	0.6
125.05979	1.8
127.03918	6.6
129.10210	1.4
130.05023	2.7
133.06506	0.3
135.04414	3.4
136.04848	0.4
137.06003	0.6
140.07124	0.3
143.00179	1.2
143.11859	0.3
144.04817	0.4
145.02859	4.2
145.04959	1.2
147.07704	0.7
148.06052	6.1
148.07924	0.6
149.05984	5.3
153.05469	5.9
154.05830	0.3
159.03307	0.3
161.01245	0.4
163.03909	15.1
164.04248	1.0
165.41704	0.3
167.07045	0.5
169.01776	0.4
177.05473	4.6
178.05826	0.4
185.01157	0.5
189.00742	0.5
195.06532	7.7
199.18062	27.7
200.13870	0.4
200.18379	1.6
211.02615	0.3
212.03760	0.8
212.09114	0.4
213.00858	0.4
227.17551	10.7
228.17880	0.7
231.01735	0.4
237.00792	0.3
249.02812	1.0
255.01785	1.8
261.14441	8.1
262.14713	0.3
267.03915	0.5
273.02887	1.7
293.10168	0.4
306.10028	0.3
331.13852	0.7
344.84665	0.3
374.11871	1.0
375.12656	1.8
375.16669	0.6
375.23450	0.8
393.05066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06580	25.6
64.04787	24.8
67.05513	57.0
69.03445	25.5
69.61863	100.0
71.25935	23.5
79.05486	47.5
81.07056	44.9
83.04955	30.5
87.00350	21.9
91.05470	36.2
93.07033	51.2
95.08620	57.5
105.07069	53.2
107.08611	57.7
109.06497	30.6
109.10145	52.8
109.31847	25.4
119.08628	45.1
121.10181	39.2
177.64810	28.6
232.98488	25.2
235.17020	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	26.2
56.30337	20.8
67.05494	80.4
69.07064	39.8
69.64793	100.0
71.04998	33.5
79.05496	74.6
81.03378	25.6
81.07059	87.1
83.04958	27.3
89.52408	21.5
91.05483	64.9
93.07033	79.8
95.08603	81.7
98.07147	23.1
98.22710	27.9
105.07023	69.5
106.50401	23.9
107.08620	54.9
108.04939	22.7
109.10167	53.1
117.07026	37.3
119.08579	57.7
120.60031	23.0
121.10137	37.6
125.09645	28.5
133.10146	39.6
135.11679	29.8
141.54802	21.9
145.10118	36.0
147.11613	24.4
149.09612	28.9
159.11652	44.8
161.37454	24.7
166.92293	25.1
173.11751	33.8
185.13432	27.8
195.13777	37.1
219.34035	28.3
231.60051	30.4
275.20029	55.3
309.29022	22.6
374.32635	26.6
385.33704	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	374.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.07081	8.3
58.06605	1.8
67.05469	0.2
68.05016	0.5
69.06409	1.7
69.07048	0.4
70.06597	18.4
71.06929	0.4
71.08274	0.3
71.08639	3.0
72.08166	0.6
74.06093	0.4
74.47376	0.2
83.08615	0.2
84.08150	0.4
85.10201	1.1
85.30814	0.2
86.06048	0.3
86.09709	0.4
88.07636	25.2
89.07965	0.3
93.07067	0.3
98.23334	0.4
102.09187	16.5
105.07043	0.2
119.08585	0.2
119.69894	0.2
122.53583	0.2
132.10205	1.0
146.11780	1.0
150.11275	0.7
169.56918	0.2
268.29916	1.2
286.31085	0.3
312.32614	42.1
313.32962	3.2
338.32520	0.2
346.27148	0.5
356.35236	3.3
357.35519	0.3
374.26581	4.4
374.36298	100.0
375.26709	0.5
375.36636	8.4
384.20142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
56.05038	8.5
57.07074	7.4
58.06601	4.2
60.04516	1.8
68.05023	0.9
69.07063	0.6
70.06601	4.2
70.50137	1.1
71.08638	3.3
74.06081	7.1
79.53735	0.5
84.08131	0.8
85.10181	1.6
86.06062	1.4
86.09711	0.7
88.07629	41.7
102.09182	3.3
104.07129	0.6
105.07003	0.8
109.10146	0.5
117.29179	0.5
118.08659	5.7
122.08136	4.6
272.01239	0.5
312.32587	8.4
313.33005	0.6
326.34171	22.6
327.34653	1.7
332.14310	0.6
356.35187	2.7
374.36276	100.0
375.36667	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	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	0.9
55.05502	0.9
56.05021	0.4
57.03432	0.6
60.04514	0.3
61.02919	0.4
63.32886	0.3
63.70322	0.3
65.99544	0.3
67.05486	0.3
68.99773	0.4
69.03427	3.0
69.07057	0.6
69.50564	0.3
70.02951	0.3
70.06586	1.2
71.04981	0.4
71.30173	0.3
72.08157	7.2
73.02918	0.8
74.06075	0.5
75.05602	0.4
79.05506	0.4
81.03415	3.5
81.07050	0.3
83.01331	0.4
83.04981	0.5
84.04471	1.2
84.08152	1.4
85.02909	5.6
86.09708	12.3
87.00826	2.1
87.05588	0.4
87.10041	0.9
91.05511	0.3
93.07052	0.3
94.02390	0.2
95.04964	0.3
97.02882	2.2
99.04441	1.1
100.07624	0.3
105.01864	1.2
105.07014	0.4
107.04962	0.4
107.08591	0.3
109.02882	3.2
110.06007	0.3
117.34785	0.2
119.08562	0.3
120.08115	0.6
124.04021	0.2
124.07439	0.2
125.09599	0.3
127.03915	100.0
128.04283	2.0
129.01823	0.3
129.10246	1.0
129.29938	0.3
130.04976	0.6
130.08577	0.3
135.04437	0.4
137.05981	2.2
137.09514	0.2
143.11824	1.9
145.04968	1.1
145.06210	0.2
146.03181	0.3
147.02808	0.2
147.07707	0.8
148.05988	0.3
149.06036	0.6
150.06358	0.6
151.03876	0.3
151.07568	0.3
153.05492	0.7
154.05855	0.4
157.09738	0.3
158.33783	0.2
159.02870	1.6
159.04102	0.2
165.05573	0.3
167.07095	0.3
171.04538	0.3
171.11295	0.9
173.09349	0.4
173.12843	0.5
174.14449	0.3
177.05457	0.6
178.05859	0.7
195.06508	0.8
195.10081	0.4
195.13832	0.4
196.06885	0.5
199.18047	1.1
200.13930	0.3
200.18256	0.8
201.12425	0.3
203.13878	0.4
205.11929	0.6
213.04280	0.3
213.09430	0.3
213.11292	0.9
219.13417	0.3
227.17548	0.4
231.05208	0.5
233.13208	0.3
255.05336	0.4
261.14572	0.4
287.09210	0.3
289.12561	1.4
331.13632	7.4
357.20901	0.3
375.12558	16.8
375.16443	4.6
375.23209	0.7
376.13123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1051
Annotation	Casticin
Peak:m/z	Relative Intensity
52.03293	2.0
56.96575	2.3
61.67294	2.0
69.03433	2.8
69.22041	11.9
69.45483	1.9
70.06591	9.3
72.08160	7.6
73.77502	1.8
84.04494	5.4
84.08154	14.6
85.02879	3.3
86.09707	11.2
90.05833	1.8
97.02847	3.1
98.22617	4.2
98.97586	6.1
101.00883	2.8
112.08765	2.5
127.02599	1.9
127.03861	2.5
128.10716	2.2
129.10237	8.8
136.94022	2.4
143.01907	3.4
161.02960	5.4
175.11957	3.5
183.11301	2.3
221.05067	3.7
269.71066	2.7
375.02655	6.1
375.10507	100.0
375.14307	4.2
375.23227	11.1
376.10727	7.7
388.68045	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.8
60.04494	2.1
60.05636	1.2
64.64255	1.2
69.03416	1.5
69.66258	6.5
70.06594	7.1
72.08139	4.6
74.28404	1.3
81.03440	1.1
84.04483	4.5
84.07686	1.7
84.08143	18.6
84.96013	2.0
85.02893	3.1
86.09707	5.7
97.02884	2.0
98.96999	2.1
98.97585	22.7
101.00843	2.1
105.19537	1.2
110.97524	2.6
116.98609	15.2
119.01904	4.1
127.03862	3.5
128.98610	2.4
129.10245	14.7
130.08601	2.3
130.93309	2.3
134.99622	2.4
137.06001	1.4
143.00183	2.2
143.01837	2.1
146.38757	1.2
149.39806	1.4
149.40977	1.3
154.04955	3.7
154.93282	3.1
158.99681	2.6
161.02937	4.7
172.94305	3.3
173.02914	1.6
173.06625	1.6
174.97664	2.0
177.00742	3.7
189.00583	1.3
190.95392	3.3
192.98640	1.8
203.03926	3.0
213.04277	2.8
213.06067	2.4
214.09175	1.4
214.95451	1.5
216.98647	2.3
218.98386	2.9
219.01872	3.6
221.05069	2.9
226.11852	1.8
231.05357	4.4
232.96437	4.5
234.95988	2.3
234.99763	1.8
237.02831	2.4
245.00058	2.0
245.05057	1.4
252.97095	3.5
261.08063	3.1
270.94031	1.4
272.99384	2.8
274.97488	5.4
277.00949	1.8
287.01093	2.2
292.98453	4.0
302.96896	3.3
315.09225	1.9
316.12357	1.5
320.97934	1.3
332.96463	1.3
333.05676	1.4
333.10104	5.2
344.97903	1.6
375.10410	100.0
375.23175	11.7
376.10434	7.7
392.94415	1.3
393.03766	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1263
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.05499	1.5
55.12401	0.5
56.05036	0.9
57.27491	0.5
60.04514	1.7
67.05492	0.8
69.03421	1.7
69.07056	1.0
70.06571	2.0
71.04992	0.7
72.08155	8.7
74.06078	1.0
79.05497	0.7
81.03410	1.0
81.07086	0.7
83.04989	1.1
84.04494	1.8
84.08145	5.6
85.02906	3.2
86.09705	21.2
87.10031	5.0
91.05460	1.2
93.07026	1.0
97.02875	1.3
101.07082	0.5
103.05439	0.8
107.04915	0.7
107.08578	1.9
109.02885	1.2
116.06991	0.6
119.04945	0.6
119.08566	1.8
120.08036	1.0
121.06593	0.7
123.08067	0.6
127.03926	2.7
127.07270	1.7
129.10239	5.7
131.08502	0.7
132.10179	1.4
133.02814	1.6
137.05951	2.9
138.09163	0.9
140.06978	0.6
144.06544	1.5
145.06081	0.7
145.10138	0.6
148.05989	0.8
149.05959	1.6
149.09578	1.1
151.07491	1.2
152.07072	1.3
153.05449	0.7
161.09184	1.3
165.05406	1.1
165.09123	0.7
169.08304	0.6
173.12787	0.7
177.05438	1.2
178.05838	1.1
195.06497	0.9
195.10132	1.3
195.21571	0.6
196.06883	1.4
199.18042	1.8
200.18367	3.0
201.12341	1.6
205.11638	0.6
213.11195	5.3
215.13914	0.6
219.13300	1.2
227.05232	1.0
228.17941	1.6
230.14944	1.4
233.13231	0.8
249.84006	0.6
262.14841	1.4
276.15601	0.7
289.12567	7.9
307.98999	0.6
313.12573	1.3
315.12424	0.8
331.13626	44.0
332.13840	1.9
341.22009	0.6
375.12497	100.0
375.16287	8.3
375.22989	2.5
376.13336	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	375.1439
Annotation	Hydroxymatairesinol
Peak:m/z	Relative Intensity
53.03939	1.9
55.01866	3.5
56.05024	0.8
57.86418	0.7
65.03942	1.7
67.05527	0.8
69.03432	1.3
69.07028	0.9
69.52575	2.0
69.52985	2.2
70.06580	0.8
70.93550	0.9
71.05002	0.9
73.02911	0.9
75.07848	0.7
77.03905	1.3
78.04700	4.2
79.05491	11.1
81.03420	1.0
81.07050	1.7
84.04513	2.3
85.02911	1.4
85.04795	0.9
86.09712	11.5
87.10032	3.5
91.05479	10.3
93.07030	1.6
94.04200	4.8
94.86343	0.8
95.04967	4.7
97.02911	1.2
97.06541	1.5
102.05543	2.2
103.05470	10.1
105.04515	0.9
105.07023	6.6
106.04171	2.3
107.04952	19.0
109.02901	0.9
109.06503	1.7
111.04417	1.3
115.05466	4.5
117.07049	1.4
119.04938	6.7
121.06493	4.9
122.03659	9.0
123.04449	9.1
123.08069	1.4
124.05219	4.9
125.05964	3.2
129.06934	1.6
130.04152	1.0
131.04933	15.6
132.05734	1.0
132.10173	2.1
133.02824	1.8
133.06520	6.8
133.10539	1.0
134.03659	1.7
135.04414	2.5
135.08075	5.2
136.05244	1.0
137.05980	88.5
138.06308	2.8
139.07523	2.1
141.06993	0.8
143.04924	2.0
144.05827	1.2
145.06471	2.5
146.03651	1.0
147.04430	9.0
147.08066	1.6
149.05969	6.2
150.06714	1.5
151.03912	1.9
151.07530	8.8
152.04686	4.6
152.05823	0.8
153.05463	7.3
153.06627	0.9
157.06546	1.4
157.67705	0.8
159.08015	1.4
160.05200	2.5
161.05991	14.0
162.06737	4.0
163.03879	1.3
163.07547	28.9
163.92215	0.8
164.07866	1.2
165.05624	1.6
165.06984	1.8
167.07042	100.0
168.07332	4.0
172.05139	1.3
173.06027	2.8
175.07553	8.7
177.05467	5.3
177.06900	1.6
178.07820	1.1
179.07056	9.3
179.08492	1.5
181.04976	1.7
181.06487	2.1
181.08536	1.1
187.07545	2.2
189.07137	1.1
189.08983	1.8
190.55316	0.8
191.07028	3.0
193.06828	0.7
193.08607	3.9
194.07262	1.9
195.06433	1.8
195.08078	1.9
197.12868	1.7
199.07526	0.9
203.07028	5.1
203.10660	0.8
205.06487	1.3
207.08070	2.2
209.05917	1.2
211.07521	2.0
215.13928	1.8
216.14204	1.4
218.07310	1.8
219.08110	2.7
219.10240	1.9
221.06039	1.5
221.08017	1.7
222.06674	1.4
223.07518	2.6
225.09050	0.9
227.06960	1.4
233.09607	1.1
235.07513	2.0
236.08315	1.8
237.09050	2.4
239.06987	1.5
240.07800	0.9
247.07498	1.3
249.09071	1.4
250.06366	1.9
251.07011	2.3
252.07870	1.0
253.08617	1.8
255.06398	1.0
255.10086	1.0
257.11838	1.8
263.07001	2.1
264.07779	2.5
265.08438	1.7
267.09964	2.2
268.07257	1.0
269.08133	1.5
275.06918	1.1
279.06717	1.7
279.09946	1.5
280.07449	1.1
281.08060	1.4
283.09598	2.3
292.07245	1.3
293.08218	1.1
293.11743	1.6
294.08911	1.0
295.06454	0.8
295.09494	3.6
296.10287	1.1
297.11139	3.6
307.09595	2.5
311.09286	1.9
312.09821	1.8
313.10687	1.4
315.12247	5.1
324.09680	1.5
325.10669	4.4
325.14203	1.7
326.11389	1.7
327.12354	1.3
339.12259	4.2
343.11584	0.8
345.13196	1.0
357.13269	4.4
357.17130	1.5
367.65201	0.9
375.14471	5.6
375.23883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Vladinol D
Peak:m/z	Relative Intensity
53.03946	1.2
53.38335	0.4
55.01865	1.8
55.05508	0.5
57.02032	0.4
63.02353	0.4
63.22793	0.4
65.03940	3.0
67.05505	2.8
68.99767	0.5
69.03431	1.1
71.04988	0.5
71.20554	0.6
77.03924	0.7
79.05495	1.5
80.44794	0.4
81.02977	0.8
81.03421	8.2
81.07066	1.3
85.02900	1.3
90.90066	0.4
91.05484	2.7
93.03406	0.9
93.07064	0.5
94.04195	1.8
95.04974	2.3
95.08604	0.7
97.02892	0.9
98.58167	0.4
98.97929	0.4
103.05480	1.5
105.04534	0.5
105.07040	0.8
107.04967	1.7
107.08596	0.4
108.02071	2.9
109.02880	0.8
109.06512	2.7
111.04426	2.3
115.05441	3.0
117.07014	1.6
119.08627	0.4
122.03652	3.5
123.04433	0.4
125.06014	1.5
127.03883	0.8
128.06223	3.2
129.07016	8.3
131.04930	2.3
133.02911	0.5
136.01532	0.6
137.05978	46.2
138.06323	1.8
141.05501	3.1
143.04909	4.3
144.05634	0.5
145.06505	1.5
145.10097	0.5
146.03667	0.8
146.07289	0.6
147.08041	2.0
149.05988	0.8
151.03914	100.0
151.05016	10.7
152.04295	2.7
153.01837	7.9
153.05440	3.0
155.04964	0.6
155.06119	0.5
157.06496	10.1
157.07722	0.8
159.04390	0.8
159.08032	0.6
160.05205	1.9
161.05988	2.4
161.09676	1.5
163.03874	0.6
163.07590	0.7
165.05487	1.8
167.07025	1.7
171.04402	3.4
173.06030	0.4
174.06749	1.3
175.07535	5.6
176.04796	1.1
177.05594	0.6
177.09085	1.1
183.04468	0.5
187.07579	1.4
188.04681	1.4
189.05499	0.9
189.07288	0.9
189.09090	8.6
190.06314	0.6
191.07007	6.5
191.08521	0.7
195.06433	0.5
201.05574	0.5
203.07031	26.5
204.07494	1.4
205.08568	3.8
207.08015	0.6
215.07068	1.8
218.07388	0.5
219.08060	1.0
221.08041	5.4
233.08028	3.7
234.06615	0.8
235.07544	0.9
243.06602	1.4
246.06638	0.5
247.07587	1.7
248.08147	0.5
249.09236	0.9
261.09052	1.0
263.07129	1.1
264.07904	0.8
265.08517	0.7
267.10327	0.6
271.06052	0.9
275.07114	0.4
277.08563	1.2
279.10159	2.4
285.07364	0.6
286.08414	2.7
289.08731	0.6
293.55521	0.4
295.09726	1.7
306.08676	0.7
307.09641	4.0
309.11127	1.0
311.09259	0.5
311.12808	1.5
312.10001	1.1
321.11206	3.3
322.11536	0.6
327.12250	7.8
328.12430	0.5
339.12338	5.9
339.49396	0.5
340.12656	0.5
343.04483	0.5
345.13425	0.6
357.13364	6.4
358.13657	0.6
375.14743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
55.01876	0.7
55.05510	0.9
55.35751	0.4
57.60561	0.4
61.11927	0.3
65.03929	0.6
65.10504	0.4
66.04733	0.4
67.05508	0.7
69.03419	0.6
69.32107	2.3
70.06585	0.8
73.02912	0.8
74.33638	0.4
75.60172	0.4
77.03922	0.4
78.04695	1.3
79.05499	4.8
80.56808	0.4
81.03413	0.5
81.07052	1.4
83.04952	0.5
83.08620	0.5
84.08143	0.5
85.02901	0.6
85.66123	0.5
86.09708	0.8
91.05483	5.0
93.07044	0.9
94.04184	4.1
95.04965	1.1
95.08618	0.8
98.22641	0.9
100.11246	0.6
103.05473	11.5
105.03409	0.4
105.07043	5.2
105.64410	0.4
106.04169	0.8
107.04966	6.5
109.06497	1.3
111.04412	0.5
115.05454	2.5
117.07027	1.4
119.04955	1.1
119.08578	0.6
119.39224	0.4
121.06514	1.2
122.03653	10.0
123.04457	3.2
123.08109	0.5
124.05219	1.7
125.06014	0.8
127.03851	0.3
128.06206	0.9
129.07002	1.3
131.04939	15.0
131.08568	1.0
133.06500	5.8
135.04375	0.4
135.08020	4.9
137.05980	100.0
138.06308	3.5
141.07060	0.5
143.04927	1.4
143.08594	0.8
144.05772	0.5
145.01881	0.4
145.06487	1.4
145.10121	1.2
147.04411	1.6
147.08046	1.4
149.06007	1.4
151.03885	0.8
151.07568	7.5
152.04692	1.8
153.05521	0.8
157.06442	0.9
157.10141	0.4
157.96049	0.4
158.07243	0.7
159.08052	0.7
160.05191	1.0
161.05984	3.6
163.07550	34.4
164.07918	1.6
165.05540	0.4
165.06924	0.8
165.09102	1.0
167.07048	47.4
168.07390	2.1
171.08005	0.5
173.06030	0.9
173.09715	0.7
173.13164	0.4
174.06779	0.6
175.07542	5.1
177.09090	0.6
179.07010	1.5
181.04922	0.8
181.08636	1.2
186.06947	0.4
187.07520	2.2
188.08084	0.5
189.09084	1.4
190.07748	0.5
191.06999	0.5
193.08618	3.7
201.09093	0.8
203.10683	1.2
205.08528	0.6
205.10254	0.5
207.10226	0.4
210.15179	0.5
211.07504	0.5
218.07144	0.5
219.08252	0.5
219.10159	1.4
223.07558	0.5
233.09633	1.1
233.11708	0.5
235.07573	0.6
253.08614	0.8
261.09183	1.1
263.95950	0.4
265.08563	0.5
265.12271	0.7
273.11185	0.4
293.11609	2.0
325.10712	0.8
325.14310	3.0
354.59891	0.5
357.13138	0.7
357.16907	1.7
375.10376	0.7
375.14417	1.4
375.23132	0.6
375.30618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03937	0.9
53.18227	0.3
55.01862	0.6
55.98647	0.3
60.48043	0.3
65.03935	0.7
66.04721	0.5
67.05511	0.4
69.03434	0.6
70.84566	0.5
72.08167	0.3
77.03886	0.3
78.04715	1.7
79.05486	4.8
81.03399	0.5
81.07057	1.3
84.04499	0.5
84.20621	0.2
86.09697	2.1
87.10067	0.4
91.05480	4.3
93.03384	0.4
93.07011	0.6
94.04183	4.0
95.04966	1.2
95.08595	0.5
96.05786	0.3
103.05465	12.4
105.03407	0.6
105.07025	5.2
106.04192	0.6
107.04946	6.4
108.05765	0.5
109.02907	0.3
109.06478	1.3
115.05458	2.5
116.07045	0.3
117.07007	1.4
119.04936	1.4
119.08581	0.6
121.06515	1.3
122.03642	11.1
123.04440	3.5
123.08039	0.5
124.05195	2.2
125.05965	0.4
127.03898	0.3
128.06212	0.7
129.07019	1.5
129.10234	0.3
130.07657	0.3
131.04919	14.6
131.08545	0.7
132.05669	0.5
132.10172	0.5
133.06487	5.5
134.03607	0.4
135.04395	0.4
135.08041	5.1
136.05170	0.5
137.05969	100.0
138.06305	3.5
141.07002	0.9
143.04901	0.8
143.08534	0.6
144.05743	0.6
145.06500	1.3
147.04382	1.5
147.08032	1.4
149.05965	1.0
151.03926	2.2
151.07545	7.2
152.04695	1.4
153.05495	0.9
157.06490	1.0
159.08076	0.5
160.05226	0.7
161.05989	2.5
163.07536	34.3
164.07892	1.0
165.05609	0.3
165.09145	1.0
167.07033	45.1
168.07385	1.2
169.06458	0.5
171.08046	0.8
172.05142	0.5
173.05988	0.6
174.06752	0.5
175.07524	4.9
177.05415	0.5
177.09114	0.7
178.06281	0.4
179.07095	1.3
181.05028	0.5
181.08598	1.0
185.09767	0.2
187.07516	2.2
188.08476	0.4
189.09073	1.6
190.07741	0.4
191.07031	0.5
193.08598	3.6
201.09134	0.9
203.07007	0.6
203.10719	1.2
205.06635	0.3
205.08441	0.6
205.10197	0.5
206.10686	0.3
207.08290	0.4
207.10167	0.8
215.08722	0.5
216.14389	0.4
218.07339	0.5
219.08188	0.5
219.10075	1.5
221.05914	0.5
222.06531	0.3
233.09645	1.3
233.11711	0.5
235.07689	0.4
253.08453	0.4
261.09076	1.2
264.07718	0.3
265.12213	1.0
279.10266	0.6
293.11612	1.9
307.09790	0.4
311.12695	0.8
318.37860	0.3
325.14325	2.6
327.12070	0.4
339.12445	0.5
357.13147	0.4
357.16919	1.3
375.14554	0.8
375.23434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2375
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03931	4.7
54.25692	1.5
55.01862	7.5
55.05512	25.5
57.03437	10.9
57.07067	6.0
59.05002	3.4
61.02929	19.5
65.27247	1.6
67.05499	10.6
69.03429	37.9
69.07066	50.2
71.04983	10.5
73.02910	7.8
79.05487	5.0
81.03410	14.3
81.07056	32.9
82.07392	1.9
83.04982	11.1
83.08603	9.6
85.02901	95.2
85.06547	25.5
86.03278	1.8
87.04459	6.6
91.03937	4.7
91.05473	3.9
93.07053	17.6
95.08605	48.4
97.02892	32.4
97.06536	7.6
97.10175	12.0
99.04462	7.7
99.08080	25.5
99.62399	1.6
105.07050	4.7
105.78914	1.7
107.08583	30.2
109.02872	9.4
109.10156	17.0
111.08071	3.4
111.11732	6.9
113.09634	10.4
115.03910	2.2
115.07692	1.6
120.05451	1.6
121.10138	41.7
122.10477	3.2
123.11688	12.6
125.09631	7.7
127.03912	24.5
127.11153	2.6
133.10132	1.9
135.11707	22.3
136.12035	2.0
136.66953	1.9
137.13245	20.2
139.11200	11.9
145.04967	16.3
149.13245	6.1
149.23161	1.5
151.14828	6.4
151.16028	1.5
153.12746	12.7
157.10156	1.8
159.11742	2.0
167.07002	1.7
177.16380	100.0
178.16713	5.2
190.42303	2.1
195.17429	42.2
196.17792	3.4
206.34796	1.7
213.18475	40.1
214.18819	3.9
268.58536	1.8
365.48895	1.7
375.23660	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.05513	15.8
57.07074	5.7
65.03940	4.8
65.28993	1.8
65.66921	1.9
65.81174	2.1
67.05502	31.1
69.03422	3.1
69.07078	15.1
71.32349	3.6
77.03917	3.5
79.05492	32.3
81.03439	2.4
81.07059	51.1
83.04990	3.5
83.08604	6.8
87.31401	2.2
91.04627	2.3
91.05483	52.5
93.07044	75.0
93.07627	3.8
95.04972	38.9
95.08038	4.3
95.08610	50.3
97.06529	9.5
103.05442	4.3
105.04505	4.0
105.07035	100.0
107.08589	43.7
109.06532	10.9
109.10158	23.3
115.05466	4.0
117.07021	17.5
119.08582	83.3
119.09444	4.3
121.06508	16.4
121.10150	74.4
123.08068	8.2
123.11707	10.5
128.06194	8.0
129.07030	15.4
130.07764	7.1
131.07585	2.8
131.08565	39.9
133.06551	3.0
133.10133	44.6
135.08023	6.3
135.11703	16.4
141.06998	7.6
142.07809	19.4
143.08569	28.8
144.09294	6.8
145.10126	56.5
146.10347	2.5
147.08031	2.6
147.11681	18.5
149.09639	3.4
155.08542	10.0
156.09328	8.0
157.10129	40.1
158.10902	5.5
159.08046	3.4
159.11703	29.2
161.09663	8.1
161.13278	3.9
163.11276	2.9
165.07048	2.4
167.08577	6.2
167.82533	3.0
168.09328	3.2
169.10114	18.2
170.10809	2.9
170.94897	2.3
171.11693	16.9
173.13261	17.6
175.11147	7.6
175.14870	7.8
179.08569	6.0
180.09236	2.6
181.10095	8.3
182.10971	6.3
183.11723	14.1
185.13264	7.1
187.11198	5.4
187.14803	15.5
189.16325	2.9
193.10184	4.2
194.10858	4.4
195.11633	10.5
196.12407	3.2
197.13246	14.1
199.14879	8.1
201.16351	4.7
205.10086	2.9
206.11009	3.0
207.11671	6.2
209.13271	13.4
211.14838	9.6
221.13181	6.4
223.14851	5.8
225.16435	4.7
227.17807	2.3
233.13217	3.1
235.14771	5.8
237.16292	5.3
241.19653	3.4
251.18225	3.8
253.15918	3.5
253.19525	5.1
265.19540	3.7
266.20221	2.9
268.24863	2.5
279.21268	3.1
319.20593	2.8
343.22443	3.2
346.55203	2.3
347.27402	4.1
357.26065	2.8
375.16415	3.3
375.26563	34.2
375.30554	5.2
375.36682	4.0
376.26797	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	375.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68638	1.9
53.03953	1.8
55.01878	2.9
55.05518	100.0
56.05846	2.1
57.03421	1.9
57.07067	5.6
67.05519	11.0
69.03434	2.6
69.07077	10.8
71.08620	2.2
79.05511	8.9
81.07067	14.9
83.04984	4.0
83.08626	46.2
85.10138	2.1
91.05499	9.7
93.07044	10.1
95.05003	2.2
95.08617	12.6
97.06560	2.3
97.10188	2.5
98.23381	4.1
105.07050	12.3
107.04955	3.2
107.08618	7.6
109.06512	4.2
109.10150	9.5
117.07006	3.3
119.08571	9.7
121.06522	4.7
121.10156	8.2
123.11697	2.0
125.09692	1.9
131.08565	6.8
133.10155	11.2
135.08130	2.1
135.11697	4.7
140.69241	1.8
145.10136	8.9
147.08107	3.1
147.11713	8.2
149.09610	3.2
149.13242	2.1
151.11174	2.7
157.10191	1.9
159.11731	5.1
163.11244	2.6
169.10156	1.9
171.11656	3.0
173.13324	3.1
185.13367	2.6
257.18988	11.2
275.20087	78.9
276.20276	5.5
283.26300	13.7
293.21088	18.3
313.27374	3.4
359.13174	2.3
375.16144	15.1
375.29251	17.7
375.36343	2.4
376.16556	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01875	13.4
57.03429	6.1
57.07072	2.3
58.46024	1.5
61.02922	6.8
66.22821	1.6
67.05501	5.1
69.03431	19.1
69.04409	2.6
69.04807	10.7
70.06588	8.8
71.04993	4.9
72.08146	2.2
73.02923	4.2
79.05501	5.6
81.03415	9.9
81.07066	7.2
84.04529	1.4
84.08146	3.2
85.02905	77.8
85.06542	24.7
86.09698	9.3
87.04469	2.1
91.03942	3.5
91.05479	11.3
94.88623	1.5
95.04975	10.7
97.02903	22.3
98.23331	3.8
99.04427	3.4
103.05486	3.7
105.07029	7.7
107.04961	6.3
109.02886	8.1
109.06519	5.6
110.07191	2.1
115.05477	4.1
117.05525	2.0
117.07056	2.0
119.04948	3.3
120.08089	2.0
127.03930	16.4
128.06245	2.1
129.05534	2.2
129.07008	2.0
131.04916	1.9
133.06505	4.4
135.05528	1.6
137.05977	100.0
138.06310	5.6
141.06984	2.0
141.25977	1.6
145.04964	20.7
145.06221	1.6
145.06578	1.7
147.08022	2.1
149.06044	2.1
151.07567	6.2
153.06873	2.2
157.06461	2.0
161.05943	7.5
163.06026	2.7
167.07011	5.5
168.07338	2.9
170.70786	1.4
171.08040	2.1
173.06015	1.3
175.07492	1.9
178.05913	2.0
179.07019	34.7
179.08463	2.5
180.08771	1.8
180.10213	1.7
188.03815	4.4
191.07036	1.7
196.02271	2.6
197.08047	2.6
197.09653	2.6
203.07034	2.8
214.03326	3.5
214.10741	2.8
215.10677	11.3
311.13300	1.6
363.45697	1.4
376.23746	1.5
377.15924	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62446	0.3
56.05035	0.7
58.13291	0.4
60.04526	0.7
68.05022	0.5
68.58307	0.3
69.87701	1.2
70.06593	100.0
71.04980	0.4
71.06924	1.7
72.08141	0.6
72.46297	0.3
76.04008	1.0
81.03445	0.4
84.04031	0.6
84.04508	7.6
84.08150	0.9
85.02891	0.9
85.04845	0.9
86.09695	1.7
91.05486	4.8
98.06059	2.9
98.23396	0.4
107.04931	0.6
109.06557	0.3
116.07097	12.8
117.07478	0.3
119.04953	3.3
126.05531	0.9
129.10214	0.5
130.04991	2.9
131.05385	0.4
132.10172	0.4
136.07579	30.2
137.05986	1.0
137.07895	0.9
141.33452	0.3
147.04446	1.2
150.05515	0.7
151.07559	0.4
163.03896	0.3
166.67963	0.3
181.05952	0.3
197.04280	0.3
197.09711	0.4
199.07326	0.4
213.12346	31.4
214.12691	1.1
214.98289	0.4
215.05481	0.5
215.10715	0.6
226.00026	0.3
233.12849	18.0
234.13071	1.0
252.06139	0.4
261.12354	15.3
262.12677	1.0
317.45255	0.3
334.14673	0.4
359.07309	0.6
372.04401	0.3
376.10034	11.1
376.18613	2.7
376.23563	0.5
377.08362	10.3
390.60669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.7
55.86475	4.9
56.96566	18.8
57.07076	15.3
67.05501	9.7
69.07066	18.1
69.56252	9.7
69.56660	15.4
70.06590	7.4
71.08636	51.6
76.08878	4.0
79.05502	7.5
81.07043	10.8
83.08644	4.3
86.09704	17.3
88.07622	11.2
88.11270	100.0
91.05504	8.7
93.07058	13.1
95.04975	16.6
95.08611	13.2
97.06555	7.4
98.22690	5.4
98.98508	6.8
99.08054	5.8
107.08647	6.3
109.06499	21.4
110.97603	4.7
121.10120	4.8
128.98648	6.9
131.08554	5.0
138.40445	4.1
146.47893	4.3
155.00986	7.6
159.11653	4.7
165.12778	70.0
173.13295	4.8
174.52835	5.1
175.11121	5.5
184.13399	9.0
184.17041	4.9
191.14294	7.3
198.82166	4.6
201.12814	6.1
224.20186	10.1
240.95421	4.3
254.21121	5.0
271.20682	5.7
278.24725	23.0
289.21585	9.3
313.32993	15.6
317.17877	30.3
335.18967	85.7
336.19232	11.6
353.20084	15.1
375.36813	32.0
376.26398	21.7
376.32074	43.3
376.36884	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	43.2
58.07418	0.6
69.37017	0.7
69.37443	0.7
84.08160	0.3
90.08433	0.2
102.09197	0.3
107.06072	0.4
108.04481	0.6
111.16348	0.2
124.08720	0.6
125.07122	5.5
126.05531	4.6
134.07164	0.6
135.05602	0.4
191.11833	1.0
192.10092	0.2
208.14474	2.5
209.12869	11.5
210.11279	1.3
210.13161	0.4
218.12895	5.2
219.11319	3.0
219.13329	0.4
220.11618	0.2
228.11508	0.2
245.12953	0.2
257.16479	0.2
260.15210	1.3
274.19199	0.7
275.17538	8.6
276.17755	0.5
291.19382	0.2
292.20206	10.5
293.18518	7.5
294.18887	0.6
302.18631	17.8
303.18854	1.3
343.22586	0.5
358.24908	1.1
359.25400	0.3
359.30173	0.2
376.25949	100.0
377.26273	9.2
394.27048	4.5
395.27243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62880	2.9
69.31564	16.4
76.28112	2.4
81.36424	2.5
85.36398	2.6
115.26693	2.5
146.19165	2.5
152.64659	2.5
167.07056	3.2
299.21945	3.1
376.21515	100.0
377.21863	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	376.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.6
55.05512	5.4
57.06805	1.2
57.07076	7.6
60.26829	1.0
65.96452	1.0
67.05509	8.8
68.49368	1.0
69.07077	13.9
69.09585	4.8
69.10009	4.6
71.05015	1.6
71.08638	34.9
77.61487	1.0
79.05494	7.6
81.07061	13.1
83.04997	1.4
83.08641	2.2
84.15866	1.0
85.06560	3.6
86.06105	2.3
86.09720	14.1
88.11275	100.0
89.11600	2.0
91.05495	6.2
93.07041	9.2
95.04974	13.3
95.08608	14.2
97.06544	3.4
97.10229	1.2
99.08105	3.1
105.07027	9.8
107.08587	12.1
107.09184	1.0
109.06526	19.0
109.10155	7.0
110.06873	1.8
111.11722	1.6
117.07000	2.0
119.08605	6.9
121.06561	2.8
121.10186	5.6
123.08115	2.5
128.71141	0.9
131.08586	4.0
133.10132	6.2
135.08110	4.1
135.11693	1.4
137.09624	1.5
142.12292	1.3
145.10155	3.9
147.11742	3.6
149.13298	3.6
151.11218	1.6
151.14894	1.6
156.13823	5.1
157.10153	1.2
159.11731	2.2
163.11269	2.2
163.14821	2.2
165.12761	64.6
166.13181	2.5
170.15419	3.4
173.13269	6.4
175.11267	2.8
177.12788	1.3
184.13318	5.9
184.16994	2.8
187.14809	1.6
191.14314	5.6
198.18510	1.7
201.12808	4.1
209.13086	1.5
222.18619	2.1
224.20053	7.2
254.21194	3.6
261.22250	1.2
262.21683	5.5
271.20575	5.7
278.24808	21.2
279.25308	1.1
287.75684	1.3
289.21600	7.4
314.33453	1.7
317.18066	1.8
320.25995	1.1
335.19031	5.1
358.27414	2.4
358.31311	4.2
376.26538	3.6
376.32199	35.8
376.37033	4.5
377.24500	2.2
377.32556	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	376.9311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74347	11.0
69.97182	46.7
104.99255	40.5
120.96660	100.0
127.30235	11.2
172.06750	12.2
195.24292	14.8
294.92734	37.4
366.05887	14.1
396.11942	13.1
400.01245	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	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03947	2.7
55.01852	1.2
57.03438	9.6
59.04995	0.7
61.02656	0.3
61.02933	4.6
67.05490	0.3
69.03433	15.6
69.55985	1.8
70.03734	0.4
70.06573	0.3
71.01355	2.2
71.04992	4.5
73.02917	2.6
75.04491	2.3
79.05489	0.6
81.02978	0.4
81.03421	5.9
83.04999	0.4
85.02921	0.8
87.04465	0.5
91.05503	0.7
93.07064	0.4
95.04939	0.5
97.02847	0.4
97.06512	0.4
98.23268	0.6
99.04459	5.6
103.80444	0.3
105.07018	0.7
107.04881	0.3
109.02852	1.0
112.33269	0.3
117.05466	1.3
117.06979	0.6
118.06520	0.5
119.04903	0.5
129.07028	0.5
130.06490	0.6
137.05949	2.0
138.06306	0.4
143.08514	0.4
145.06541	0.7
145.07574	2.9
147.04375	1.8
147.08087	0.6
147.09155	0.5
151.03864	0.9
151.07573	0.5
157.06322	0.8
157.07578	0.5
159.09151	0.4
167.07007	0.5
170.07101	2.1
171.07973	0.5
172.08704	36.1
173.03061	0.3
173.09048	1.4
174.10280	0.5
175.07535	1.1
177.05296	0.3
179.07010	0.6
184.08713	0.6
186.10216	0.6
189.09128	0.6
190.09822	1.8
191.06924	0.3
192.33904	0.3
193.08592	0.5
197.09596	0.6
198.06627	8.7
198.10219	0.5
200.08188	5.8
214.09705	1.0
215.10707	1.3
215.14841	0.4
216.07689	21.9
217.08144	0.8
218.09280	0.9
225.07590	0.4
243.08780	81.2
244.07089	1.4
244.09273	3.7
252.11227	0.4
285.09769	0.4
311.84814	0.3
316.12988	0.4
324.35764	0.3
334.14374	0.4
359.13531	4.1
377.14563	100.0
378.14920	6.5
401.57825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57787	1.1
53.03952	5.7
55.01882	7.5
55.05511	2.1
56.22995	1.2
57.03439	8.7
57.07069	3.3
60.04515	1.2
60.37749	1.0
61.02924	6.1
65.03934	2.0
67.05511	9.3
69.03455	40.5
70.06593	3.0
71.01367	2.2
71.04987	10.2
73.02920	5.8
76.99297	1.2
79.05494	7.5
81.03425	16.1
81.07049	7.8
83.04989	2.1
85.02905	37.2
85.06542	36.5
85.07067	1.2
86.03210	1.1
87.04477	5.8
91.05479	16.9
93.07038	3.1
95.01337	2.9
95.04962	4.1
97.02892	13.5
97.06518	3.6
99.04458	3.2
101.02409	1.5
103.03963	1.8
103.05457	6.3
105.03415	2.6
105.07024	8.0
107.04968	4.7
109.02871	8.5
109.06519	2.2
111.04446	2.3
115.03853	1.2
115.05456	16.5
116.06278	1.8
117.05563	2.5
117.07029	17.3
119.04973	1.4
119.08555	3.2
120.08115	1.4
121.06513	2.9
123.07996	1.6
127.03913	7.0
127.05445	1.2
127.07529	2.4
128.06212	18.7
129.05461	3.3
129.07028	19.7
130.07748	1.2
131.04903	8.0
131.08565	11.3
133.06461	4.6
135.08083	1.2
137.05980	10.1
138.06340	3.9
141.06990	22.3
142.07747	2.4
143.08569	10.7
144.05707	2.6
145.06487	19.2
145.08757	1.4
145.10104	2.9
146.07202	3.4
149.05969	2.2
151.07512	2.5
152.06178	3.8
153.07010	11.8
154.07768	12.8
155.04922	2.6
155.06032	2.7
155.08521	7.3
157.06493	4.9
157.10179	1.4
158.07288	3.6
159.06799	1.9
159.08057	8.2
159.11696	2.1
165.07021	1.7
167.08575	3.6
169.06488	8.8
169.10123	8.8
171.08046	9.7
172.08862	3.1
173.05978	5.1
173.09612	5.6
174.06752	2.7
178.07776	4.0
179.08569	4.6
181.06526	3.7
182.07248	2.4
185.06062	1.4
185.09682	2.5
186.10461	1.5
187.07510	6.8
187.11165	14.3
197.09602	32.3
199.11191	2.5
201.11269	2.1
215.10675	100.0
216.11038	5.4
233.11662	9.1
239.10646	1.3
257.11792	1.5
311.22464	1.4
317.13901	3.6
377.16144	28.0
378.16476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03944	7.7
55.01888	9.2
55.05517	2.1
57.03441	14.3
61.02931	12.9
62.91405	1.0
63.01384	1.2
65.03935	4.0
65.17503	1.0
67.05499	4.3
69.03432	43.8
70.06576	2.9
70.57940	2.5
71.01369	1.7
71.04993	15.7
73.02922	10.1
79.05501	7.5
81.03423	23.1
81.07077	2.1
82.03779	1.4
83.04987	1.7
83.13308	1.0
84.08128	1.5
85.02909	53.1
86.09716	5.9
87.04473	7.2
91.03957	1.6
91.05481	24.1
93.07034	4.4
95.01306	2.4
95.04968	4.9
97.02904	16.4
97.06539	1.3
99.04448	4.7
101.02373	2.2
103.03953	1.7
103.05466	9.2
105.03407	3.1
105.07040	10.4
107.04953	4.8
109.02867	9.0
109.06522	2.4
115.05455	21.7
116.06225	1.5
117.07021	19.5
118.07389	1.8
119.04937	2.9
119.08593	1.4
120.08109	2.0
121.02923	1.2
121.06499	3.5
127.03902	10.0
127.05441	1.7
128.06238	30.8
128.07196	1.9
129.07010	25.2
130.07750	2.5
131.04915	10.4
131.08582	9.8
132.05669	2.2
133.06522	7.2
135.04492	1.3
135.08020	1.4
137.05992	4.7
141.06989	40.4
142.07762	3.5
143.08592	13.8
144.05710	3.4
144.09239	1.9
145.05293	2.1
145.06490	27.2
145.10130	5.3
146.07245	2.6
147.04401	2.2
147.08054	2.5
149.05949	2.7
152.06221	7.4
153.06995	24.0
154.07784	23.1
155.04883	4.1
155.06049	6.0
155.08577	13.8
157.06543	8.3
158.07281	5.9
159.04475	1.9
159.08066	10.0
159.11696	2.4
161.05965	1.4
163.07523	1.5
165.06996	4.7
166.07710	2.0
167.08629	6.7
168.05705	1.9
169.06470	11.1
169.10152	12.6
171.08040	18.6
172.08742	2.3
173.05994	5.6
173.09619	9.4
173.59911	1.2
174.06737	3.5
178.07745	6.8
179.08475	7.0
181.05090	1.2
181.06493	5.3
182.07251	4.4
183.08061	2.3
184.08801	1.5
185.05968	2.3
185.09608	3.2
186.10248	1.8
187.07549	6.3
187.11221	12.6
195.08031	1.6
197.09627	54.6
198.09981	3.1
199.11162	4.3
200.08434	1.5
201.09100	1.4
213.09155	1.8
215.10683	100.0
216.11041	5.3
233.11787	10.6
239.10684	1.8
257.11810	2.8
317.13855	2.2
359.06848	1.2
377.08255	5.0
377.15927	34.5
378.16275	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.7
55.01868	16.5
55.05516	5.0
56.05030	10.7
57.03428	11.9
58.65903	3.7
61.01115	4.7
61.02905	11.3
65.03931	6.4
67.05488	15.9
69.03088	3.6
69.03431	43.4
70.06577	9.8
71.04992	31.3
71.31313	5.5
72.08153	6.3
73.02906	10.9
75.94170	3.1
79.05503	21.1
81.03416	65.8
81.07040	13.6
83.04974	11.0
84.08109	3.1
85.02900	59.4
85.06540	5.1
86.09693	13.0
87.04456	8.0
91.05489	41.1
93.07036	15.6
95.04964	21.1
95.08590	6.4
97.02880	23.2
97.06490	5.2
99.04469	7.5
103.05458	15.2
104.05318	7.3
105.03410	3.8
105.07034	24.2
107.04955	13.3
107.08611	5.2
109.02879	100.0
109.06523	5.9
111.04432	6.4
113.06026	4.8
115.05457	25.9
115.60540	3.0
117.06991	26.2
119.04981	4.6
119.08550	6.3
120.08126	18.4
121.06508	9.2
123.04437	5.1
123.08096	4.8
124.07587	4.6
127.03920	19.6
127.05405	3.7
128.06215	30.7
129.07019	32.7
130.07814	3.3
131.04935	14.6
131.08546	12.2
133.02879	7.3
133.06485	13.4
133.10138	5.2
137.05965	20.0
138.05473	3.4
141.06992	43.5
143.04933	4.2
143.08543	18.8
143.11818	3.5
144.05690	5.7
145.04881	4.1
145.06508	22.1
145.10118	7.4
146.06020	3.9
147.04425	6.8
147.08095	6.4
149.05983	9.0
151.03935	6.5
151.07552	7.9
152.06200	5.3
153.06947	23.6
154.07790	27.9
155.04884	3.7
155.06079	3.9
155.08609	16.7
157.06477	8.7
157.07632	5.7
157.10097	5.7
159.08029	9.5
159.11644	4.2
161.05956	8.1
161.09625	5.3
163.07556	5.6
165.06999	7.3
167.07072	5.0
167.08510	9.8
169.06491	12.1
169.10132	12.9
171.07959	17.0
173.05965	8.3
173.09602	8.2
175.07513	9.3
177.05458	7.3
178.07797	7.6
179.08615	9.4
181.06465	7.9
182.07253	4.9
183.08084	5.5
185.09663	5.6
187.07545	4.7
187.11168	14.6
197.09605	55.3
198.09964	5.2
199.11183	4.3
201.09102	5.8
203.03407	9.4
203.06999	4.9
205.12244	4.0
206.08150	4.8
209.11638	7.0
211.11122	3.9
213.09103	7.2
214.14326	4.4
215.03152	3.6
215.10670	92.8
215.12369	3.7
215.14775	9.4
216.10922	4.7
218.09377	5.3
227.10544	4.6
233.11716	13.5
257.11804	5.7
268.12778	4.1
359.15005	7.9
377.08948	15.7
377.17456	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.116
Annotation	Asp Asp Glu
Peak:m/z	Relative Intensity
56.96568	0.3
69.03408	0.3
69.80565	1.2
70.45993	0.3
72.08140	0.3
84.08145	0.3
85.02938	0.4
98.22686	0.5
98.97592	1.6
110.97578	0.5
116.98613	0.3
136.75307	0.3
140.66740	0.3
158.99669	0.4
185.04262	0.3
216.06355	2.0
219.01846	0.5
237.02881	0.9
238.03096	0.4
251.00861	0.3
262.61469	0.3
282.55795	0.3
299.85696	0.3
308.23605	0.3
319.10715	0.6
337.11816	0.4
378.11594	100.0
379.06927	0.3
379.11896	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	378.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01439	0.5
52.36403	0.5
56.96559	1.6
57.03438	1.1
61.02914	1.1
65.72019	0.5
69.03426	3.0
69.50536	2.5
70.06593	1.5
71.04988	0.6
72.08144	1.4
73.02948	0.6
79.05498	0.6
80.40741	0.5
81.03413	1.7
84.04500	0.9
84.08146	2.1
85.02904	8.6
86.09708	0.9
86.72708	0.5
93.27515	0.4
94.04211	0.7
97.02914	2.6
98.23291	1.1
98.97559	3.1
99.04462	0.8
101.53474	0.5
107.49866	0.5
109.02869	1.0
110.07114	0.6
110.97546	0.8
111.04431	0.9
111.97971	0.6
116.98603	2.6
119.04993	0.7
122.03645	2.8
127.03905	1.8
128.98582	0.8
131.04886	0.7
134.99770	0.7
137.05980	100.0
138.06305	3.6
139.03889	1.3
143.01651	2.8
145.04938	2.0
154.93181	0.9
158.08255	0.5
158.99571	0.7
163.03877	0.7
163.07567	2.3
171.01117	14.1
172.01398	0.7
177.00723	0.6
181.08586	11.8
199.04170	0.7
199.05946	0.7
208.04131	0.6
215.96103	0.6
216.06895	1.3
221.05133	0.7
222.03004	0.8
232.96461	2.2
233.96901	0.6
261.03040	1.1
269.97025	0.6
274.97464	0.9
287.97873	0.8
312.93561	0.7
319.12418	1.9
336.10126	0.6
336.93106	0.8
354.94312	2.0
378.07925	0.8
379.09814	0.7
396.95428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46526	0.3
53.03951	0.6
53.40067	0.5
54.65818	0.3
55.01851	0.6
56.96571	1.5
57.03429	0.7
61.02924	0.5
63.65647	0.4
67.05494	0.4
69.03430	2.5
69.27730	0.7
69.28150	2.1
70.06599	0.6
71.04977	0.6
72.08160	0.7
73.02906	0.4
75.02728	0.4
77.34762	0.3
79.05482	0.5
81.03413	1.5
83.04984	0.5
84.08138	0.5
84.96041	0.5
85.02913	7.2
86.09708	0.9
87.04453	0.4
91.03922	0.5
91.05516	0.5
97.02914	2.3
98.97588	5.7
99.04456	0.5
99.97920	0.5
109.02889	1.0
110.97582	0.4
111.04423	0.5
116.98642	2.9
118.02155	0.3
119.04977	0.3
120.08144	0.8
121.06511	0.3
122.03655	0.6
124.07693	0.3
126.94740	0.3
127.03933	1.3
128.98602	0.6
131.04938	0.4
134.99661	1.1
137.05981	43.9
138.06334	1.3
139.03951	0.5
145.04967	1.2
151.07524	0.5
158.99683	2.2
161.01471	0.4
163.07556	1.2
166.05447	0.4
168.06485	0.4
177.00713	2.5
181.08597	6.0
182.08968	0.4
216.06355	2.5
216.12473	0.4
219.01782	1.5
220.02135	0.5
221.02997	0.4
237.02898	1.4
258.06851	0.4
317.08737	0.4
318.09360	1.8
319.06842	0.6
336.10498	0.5
337.07993	0.9
378.11551	100.0
379.06491	0.9
379.11884	7.5
379.16364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99439	0.8
53.03938	1.0
55.01875	1.8
56.05036	1.4
61.01160	0.8
67.05493	0.9
69.03425	3.2
69.07072	1.0
70.06593	5.3
70.38282	0.8
71.04997	2.5
71.29772	1.2
71.30173	1.2
72.08161	2.7
79.05499	11.5
81.03407	2.5
81.07070	1.1
81.89626	0.8
84.08145	4.0
85.02911	5.7
86.09706	1.5
91.05482	6.8
93.07050	13.4
95.04978	3.1
97.02898	2.2
98.97602	1.3
100.53257	0.8
103.05473	100.0
104.05804	3.1
105.07030	3.2
107.04978	1.0
109.06524	1.1
112.02184	3.7
115.09333	0.8
116.07069	2.1
120.08102	2.7
121.06503	14.5
124.07526	0.9
127.03928	2.9
128.06245	1.3
131.04942	9.2
132.08395	1.5
135.04436	1.0
135.08078	4.4
136.07555	2.5
137.05960	8.9
139.07506	0.9
149.05983	11.1
153.09154	1.2
163.07549	41.2
164.07895	2.2
169.13397	1.2
181.08614	3.6
189.00793	1.0
189.12949	1.0
199.11316	1.1
337.11874	1.1
371.09235	0.9
378.08350	2.4
378.16711	1.2
379.10025	4.7
379.19354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.5
57.07075	3.1
57.98298	1.0
60.45503	1.0
67.05518	3.4
67.14861	0.9
69.03439	3.3
69.07061	2.1
71.04998	1.3
71.30968	1.8
79.05489	2.5
81.03433	2.4
81.07069	5.5
83.04986	4.4
85.02906	2.6
85.06554	4.1
91.05492	3.6
93.07041	7.5
95.04995	2.3
95.08623	6.7
97.02913	1.5
97.06548	3.1
100.11242	1.1
105.07034	4.6
107.08591	13.0
108.08940	1.5
109.06519	3.5
109.10194	2.3
111.04440	50.3
111.08098	2.1
112.04767	1.2
113.06004	1.6
117.07021	1.3
119.08608	3.2
121.06542	1.9
121.10135	3.0
125.05997	13.2
125.09610	1.2
127.07539	2.0
129.07048	1.1
131.08600	1.9
133.10097	1.9
135.08073	8.2
135.11714	11.7
136.12015	1.3
139.07576	1.4
143.08603	1.9
145.10150	10.2
153.12770	3.2
159.11751	1.8
163.11182	14.9
173.09694	1.1
181.12236	100.0
182.12587	3.8
199.13286	39.2
200.13669	1.9
257.15408	1.2
361.16528	2.6
379.17438	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	378.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50196	6.6
55.01864	9.3
55.05516	54.7
57.03421	17.1
59.05008	55.9
67.05509	92.2
69.03432	12.9
69.07072	100.0
71.04990	52.1
71.31489	8.3
71.52419	8.3
73.02930	11.1
75.01187	7.4
79.05491	59.9
81.03403	34.3
81.07058	57.6
83.04980	13.1
83.08627	30.2
85.06549	11.4
91.05494	38.8
93.07041	28.0
95.04976	28.4
95.08618	28.1
97.06537	52.0
97.10162	30.4
98.16058	8.2
103.05396	9.0
105.07018	24.4
107.04961	12.9
107.08601	29.1
109.06529	21.9
109.10158	28.3
114.77451	7.9
115.07574	39.9
117.06958	13.8
119.08583	24.7
121.06479	14.4
121.10133	8.3
125.09637	32.1
131.08594	20.1
133.10184	14.2
135.08038	9.4
149.09612	9.1
168.65025	9.2
173.11758	17.9
181.05092	7.6
185.13243	10.5
189.11176	15.9
207.06538	11.1
223.13252	13.1
273.18411	16.7
305.49808	7.1
325.19998	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	378.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	69.4
57.03440	11.2
59.04999	40.6
62.00996	8.8
66.21770	8.1
66.97435	9.3
67.05502	70.8
69.03434	19.9
69.07067	100.0
69.26144	52.3
71.04998	68.2
79.05489	55.8
81.03411	54.3
81.07071	51.8
83.04974	23.5
83.08624	35.6
83.25896	9.1
85.02939	9.7
91.05489	31.4
91.08414	8.1
93.07067	30.0
95.05001	22.3
95.08609	20.7
97.06528	80.7
97.10171	27.2
98.23373	17.6
105.07038	29.5
107.08602	24.5
109.06541	28.6
109.10159	29.5
111.08057	13.3
115.07589	27.4
117.07067	11.1
119.08569	26.2
120.08110	25.9
121.06434	12.2
121.10160	10.8
125.09634	35.1
129.07010	14.7
131.08611	22.3
135.08092	14.1
141.07042	13.6
145.10091	13.4
147.11766	10.9
151.03915	14.0
152.04240	14.9
157.10144	11.3
159.11810	12.2
173.11771	24.5
181.04980	14.8
189.11189	18.2
207.06680	11.8
219.13748	11.3
237.14748	19.8
263.10022	9.2
273.18466	17.1
378.16391	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	378.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.8
55.01868	13.1
55.05510	64.0
55.41183	6.4
56.94125	7.2
57.03447	11.3
59.05009	44.2
67.05510	94.9
69.03430	23.2
69.07075	100.0
69.13617	59.3
70.06580	13.7
71.04991	48.3
79.05503	73.8
81.03422	33.2
81.07065	67.3
83.04966	19.6
83.08614	42.3
85.02921	10.0
91.05480	42.4
93.07056	42.5
95.04983	36.2
95.08626	33.4
97.06537	95.2
97.10175	43.4
97.39993	8.6
105.07032	34.9
107.04932	19.6
107.08588	30.8
109.06550	41.1
109.10163	36.0
113.05994	11.4
115.07579	23.1
119.08593	30.4
121.06515	17.0
121.10104	11.7
125.09646	27.8
131.08621	16.7
133.10132	13.0
135.08087	12.9
135.11708	11.4
145.10120	25.1
146.80901	8.1
147.11662	16.1
155.08675	9.0
157.10115	14.2
159.08102	9.6
159.11688	18.9
161.13260	10.4
163.11195	9.7
171.11682	9.9
179.07138	13.8
181.04976	10.5
183.98630	9.0
210.52005	9.1
216.69144	7.5
237.14883	8.8
273.18576	23.5
325.19943	15.4
378.20679	11.4
378.32416	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	379.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67612	3.5
56.96568	35.0
60.05647	3.9
60.98569	3.0
68.99568	3.3
69.03424	6.2
70.06593	21.7
70.76286	4.2
70.76630	5.7
71.04975	4.7
73.02919	3.1
74.06075	3.3
79.38866	2.9
81.03408	4.8
83.47134	3.5
84.08112	3.5
84.40535	3.1
84.96021	3.4
85.02892	14.0
86.09679	12.0
93.07040	3.3
97.02863	7.7
98.97593	78.7
110.97549	3.3
111.04439	2.9
115.08595	3.6
116.07084	5.3
116.97906	3.2
116.98627	27.7
120.08128	26.4
124.50942	3.1
127.00688	4.7
127.03875	7.6
128.98561	8.8
131.00099	5.6
134.99626	7.5
136.07530	5.4
139.00618	3.6
145.01657	8.5
145.04947	4.0
157.01686	8.6
158.99670	25.0
163.02711	13.9
166.05234	3.2
175.02769	23.2
175.11859	5.8
177.00720	21.2
193.03923	9.2
194.79562	3.0
199.02742	4.3
205.09615	3.8
214.95293	3.4
217.03755	24.5
219.01776	14.3
222.04350	8.5
231.01720	4.6
232.96402	15.3
233.06750	5.3
233.14977	4.6
235.04857	6.5
237.02704	13.8
240.05344	11.1
245.02519	3.3
250.97432	9.5
257.11060	3.1
259.01108	8.0
259.04736	10.2
265.06442	6.0
274.06927	9.7
277.05405	3.1
291.03693	7.8
293.05499	4.1
305.98032	5.7
319.06827	6.8
319.10092	3.5
337.07764	7.2
362.02084	6.9
379.06165	100.0
379.13657	8.6
379.21307	16.0
380.02979	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	379.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13916	0.4
55.01878	0.6
55.05505	0.6
59.36972	0.4
62.88177	0.4
65.03944	0.6
67.05498	0.6
69.03413	2.0
69.22375	4.0
70.99079	0.4
71.04990	1.3
79.05498	1.5
81.03405	1.3
81.07054	1.4
83.04961	0.8
85.02895	2.3
89.01962	0.5
91.05487	5.1
93.07039	1.5
95.04944	0.6
95.08602	1.4
97.02924	0.9
97.06543	0.7
105.07032	2.2
107.05006	0.5
107.08601	1.3
109.02893	0.8
109.06477	0.6
119.01925	0.9
119.08584	1.6
120.08139	0.8
121.06518	0.5
121.10143	1.0
122.00603	0.5
127.03918	0.9
127.07485	0.6
129.07030	0.7
131.04671	0.6
131.08548	1.4
133.10179	1.0
137.06012	0.9
138.77063	0.5
143.08600	1.2
145.10091	1.1
147.11636	0.5
149.09616	0.6
151.07452	0.5
173.09575	0.6
173.13179	0.5
179.07077	0.8
181.04984	2.5
183.13431	0.5
185.04314	0.4
199.11169	0.9
199.14940	0.6
207.06511	2.4
215.08394	0.5
217.12202	1.3
217.15892	0.8
227.05272	2.0
271.04251	3.4
275.09015	0.8
293.10007	5.5
311.09882	1.3
317.10049	1.2
335.11005	35.4
336.11438	2.3
379.09988	100.0
380.10342	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
54.89121	0.7
55.01880	4.4
55.05507	3.2
56.05060	0.7
57.03437	2.7
57.07074	0.9
61.02927	1.5
65.03946	2.5
66.74812	0.7
67.05506	6.5
68.99783	1.4
69.03432	19.1
69.03820	1.2
69.16940	5.3
70.06589	3.0
71.01352	1.5
71.04994	20.4
72.08156	9.2
73.02921	3.1
79.05496	8.6
81.03416	19.2
81.07057	5.3
82.04209	0.8
83.04987	2.8
84.04512	0.9
85.02908	25.8
85.03428	1.3
85.06538	1.9
86.09693	2.4
87.04471	2.3
91.05487	14.7
92.28300	0.8
93.03407	1.4
93.07046	6.0
95.01328	0.9
95.04973	6.4
95.08612	2.1
97.02887	5.9
97.06561	3.8
98.22622	1.5
99.04454	2.8
103.03944	0.9
103.05464	2.9
105.03387	1.6
105.07037	10.5
107.04948	5.1
107.08601	2.8
109.02885	2.9
109.06528	2.9
111.04450	4.5
111.08075	1.4
115.05453	5.5
117.03365	1.4
117.07020	8.0
119.04922	1.9
119.08559	7.2
120.08119	2.8
121.02882	1.2
121.06509	3.7
123.04436	2.0
123.08066	2.6
125.06032	1.3
127.03934	5.1
127.07569	1.8
128.06219	11.9
129.06119	1.4
129.07013	18.4
130.07784	1.6
131.04933	4.3
131.08578	6.3
133.06474	5.7
133.10152	1.7
135.08066	3.1
136.07654	1.3
137.06004	5.5
139.07475	0.9
141.06975	3.9
142.07787	2.8
143.08585	8.9
145.02882	1.2
145.04903	0.9
145.06520	5.9
145.10132	5.3
147.04408	2.1
147.08037	3.8
149.05995	1.3
149.09691	1.3
151.03946	1.5
151.07545	2.5
152.06212	1.3
153.05486	1.4
153.06985	2.2
154.07806	2.2
155.06044	1.5
155.08560	4.9
156.09303	1.2
157.06502	6.6
157.10184	4.3
158.07265	6.3
159.08043	1.8
159.11688	1.6
161.05937	1.1
161.09610	0.9
161.13280	0.9
163.07573	2.6
165.06992	3.1
166.07759	1.7
167.07059	2.6
167.08438	1.6
169.06459	2.2
169.08604	0.9
169.10037	2.5
170.07236	1.0
171.08083	8.7
171.11684	2.9
172.08818	2.8
173.09622	3.4
173.13292	2.2
175.07478	1.7
175.11162	1.2
177.05533	2.0
179.07031	4.5
179.08476	1.6
181.04985	9.6
181.06418	1.9
181.10139	1.4
183.08038	1.6
183.11726	1.2
184.08856	1.8
185.04274	3.2
185.09628	4.7
186.10388	1.7
187.07658	1.0
189.09076	1.4
189.12759	1.8
191.10602	0.9
192.04218	1.1
195.08083	1.3
195.11624	0.9
197.09512	2.5
199.07594	1.1
199.11179	30.1
200.07178	0.9
200.11510	1.8
201.09114	1.0
201.12682	3.1
203.05293	3.3
203.06955	1.0
205.12160	0.9
207.06528	11.1
207.08310	1.1
211.11208	1.4
213.09189	1.5
214.11870	0.9
215.10735	2.0
217.04726	7.0
217.08838	0.8
217.12233	18.6
218.12619	0.9
223.11258	0.9
225.09138	0.7
229.12138	2.2
234.12288	0.9
235.13174	5.1
241.12190	1.7
241.15868	0.9
259.13306	34.5
260.13638	1.7
273.11227	1.0
280.12848	1.1
289.14304	3.9
301.10794	1.6
301.14413	1.8
313.17978	1.4
319.15402	16.6
320.15738	1.8
325.14331	1.0
333.13367	3.4
343.15247	4.5
350.19861	0.8
361.16370	12.8
361.20081	1.2
379.09943	100.0
379.17493	80.9
380.10333	7.3
380.17773	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	379.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
65.03939	8.2
67.05508	3.8
69.03429	2.2
71.04965	0.8
72.08202	0.7
78.04712	1.1
79.05495	2.9
81.07076	0.8
81.64365	0.8
82.04213	4.2
85.02890	4.2
91.05482	11.6
93.03418	1.9
93.07049	1.1
95.04964	2.4
97.02926	1.3
97.06527	2.6
103.05476	1.6
105.07030	3.0
107.04961	4.3
108.02065	1.5
109.06541	1.6
110.03666	3.6
111.04466	1.8
115.05428	1.2
118.04194	1.6
119.04940	4.7
120.08102	2.9
121.02888	0.9
121.06508	5.5
123.00748	0.9
123.04470	1.0
123.08070	1.6
125.05989	2.2
133.06516	2.3
135.04443	1.8
135.08076	1.0
136.05199	1.3
137.05983	4.7
138.03152	2.8
141.07033	0.9
142.02603	2.5
146.03661	2.3
147.04422	2.2
151.07547	5.6
152.04633	1.0
152.06221	1.0
153.05482	4.8
153.07011	2.5
155.08617	1.0
161.06026	2.4
164.04713	2.9
165.05504	1.9
165.06958	1.5
167.07054	14.2
167.08406	0.7
170.07254	0.9
171.06541	3.5
171.07880	1.0
173.06000	1.1
179.07034	45.2
180.05722	1.3
180.07310	1.7
181.04961	91.1
181.06366	5.0
181.08444	8.0
182.05319	2.0
182.07111	0.9
183.07990	1.5
185.09535	1.2
192.04202	2.2
193.04971	1.1
193.08559	2.6
195.08017	1.8
197.06036	0.8
198.06767	3.2
199.07556	0.9
204.14949	0.9
207.06526	100.0
208.05208	1.0
208.06841	3.7
209.06021	1.8
213.09132	3.8
215.07028	0.9
223.07628	1.0
225.05594	0.8
225.07562	1.0
226.06294	2.4
240.07755	1.3
241.08621	5.5
243.06554	1.4
255.06570	1.0
258.08728	1.3
269.08047	4.5
271.05908	1.4
273.11194	6.4
275.09097	1.2
280.63016	0.8
283.09698	0.9
301.10727	8.4
302.11362	1.3
319.77182	1.0
329.10156	2.0
333.13345	16.6
334.13614	1.8
361.12759	3.6
387.94913	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.01873	2.7
65.03942	8.8
67.05499	5.8
69.03428	5.9
69.07068	2.0
71.04984	3.8
72.08107	2.1
78.04712	3.1
79.05499	7.9
81.03419	4.0
81.07061	3.7
82.04199	4.6
83.04963	2.1
85.02914	8.6
86.09703	4.6
91.05484	15.8
93.03403	1.7
93.07023	4.0
95.04974	5.1
97.02859	2.0
97.06502	4.5
99.04481	1.4
103.05486	2.2
105.07052	7.0
107.04959	5.9
107.08605	1.8
108.02081	1.9
109.02881	3.6
109.06504	2.5
110.03665	3.4
111.04418	3.2
117.07017	2.5
118.04121	2.0
119.04953	4.2
119.08581	2.7
120.08092	4.1
121.06491	9.1
123.04432	7.4
123.08044	2.0
124.05212	2.0
125.05980	2.8
127.03927	1.7
129.07018	3.5
131.04935	1.6
131.08572	2.2
133.06483	5.4
134.45012	1.3
135.04407	1.4
135.08078	1.5
136.05200	2.1
137.05972	8.1
138.03104	3.0
141.06978	2.4
142.02599	3.2
143.08476	1.8
145.06398	2.0
145.10141	2.3
146.03656	3.1
147.04402	4.1
147.08101	2.0
149.05980	3.5
151.03926	2.2
151.07564	7.2
153.05449	4.7
153.07103	1.6
157.10100	1.5
161.05986	4.0
164.04688	3.4
165.05505	1.4
165.06953	2.8
167.07042	100.0
168.07401	4.2
169.10133	1.4
170.07272	1.5
171.06531	4.1
179.07037	43.9
180.05652	2.1
180.07301	1.6
181.04968	83.3
181.06447	5.0
181.08434	7.9
182.05284	3.9
187.14360	1.6
192.04198	3.2
193.08575	5.5
195.08022	2.7
197.06046	1.9
198.06740	4.5
199.07503	1.9
199.11150	1.6
207.06525	93.9
208.06853	5.3
209.06091	1.5
212.08397	1.8
213.09082	5.1
217.12071	1.3
221.12723	2.0
229.10550	1.5
241.08612	5.7
243.06630	1.8
245.11688	1.5
269.08179	2.6
271.06192	2.1
273.11237	5.5
301.10648	8.5
302.11478	1.6
333.13382	17.1
340.73087	1.4
361.12585	3.6
379.15488	3.2
379.21808	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	379.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
55.01872	4.2
65.03944	8.4
67.05505	5.1
69.03426	6.7
70.06586	2.5
70.58207	1.7
71.04994	6.0
72.08166	2.8
79.05493	4.8
81.03417	7.2
81.07053	1.5
82.04209	3.7
83.18491	0.9
85.02905	11.2
86.09737	1.6
87.04466	1.8
91.05480	15.9
93.03414	2.2
93.07038	2.4
95.04974	3.9
95.08620	1.1
97.02904	2.4
97.06534	4.1
103.05529	1.7
105.03412	1.2
105.07037	3.7
107.04954	7.1
108.02074	1.3
108.05770	1.0
109.02856	1.3
109.06496	1.5
110.03683	4.0
111.04448	3.3
115.05440	1.6
117.07024	2.3
118.04139	1.9
119.04922	4.9
120.08092	5.8
121.06513	5.4
123.04475	1.7
123.08051	2.2
124.77703	1.0
125.06001	2.5
127.03899	1.7
128.06226	1.8
129.07002	3.0
130.06566	1.4
131.08545	1.4
132.57494	0.9
133.06497	4.1
135.04396	1.8
135.08055	1.0
136.05228	2.0
137.02344	1.6
137.05995	6.5
138.03107	2.4
142.02614	1.9
143.08577	2.4
145.06567	1.7
146.03619	2.4
147.04379	3.0
149.06017	1.6
151.07526	6.7
152.06261	1.2
153.05475	5.5
153.06920	2.1
155.07065	1.0
155.08543	1.8
157.06479	1.7
161.06001	2.3
162.03606	0.7
163.03906	1.1
164.04723	3.5
165.05481	2.9
165.06996	1.9
167.07051	16.9
167.08525	2.3
169.06537	1.4
170.07213	1.4
171.06546	4.1
171.07898	1.5
171.11656	1.1
179.07030	54.1
180.05846	1.4
180.07379	2.2
181.04964	96.5
181.06424	6.7
181.08429	8.9
182.05339	3.4
182.07124	0.8
183.08012	1.5
185.09615	0.9
187.07715	0.9
189.12614	1.1
192.04225	2.7
193.08641	3.5
195.08063	2.6
197.06091	1.6
197.08015	1.2
198.06804	3.9
199.07509	1.2
199.11263	1.4
202.79765	0.9
207.06522	100.0
207.64455	0.9
208.06935	4.4
209.05952	1.6
212.08327	0.9
213.09047	4.8
215.07076	1.7
217.12216	3.3
219.10062	0.8
225.05360	0.9
226.06219	3.3
227.06995	1.7
234.12341	2.4
241.08589	6.5
243.06636	1.6
245.11722	0.9
259.13440	1.0
269.08054	2.7
271.06027	1.6
273.11279	7.6
275.09293	0.9
283.09616	1.2
286.08212	1.3
301.10693	11.7
318.11050	1.1
329.10187	2.3
333.13293	20.3
333.17044	1.6
334.13556	1.5
361.12677	4.2
379.17499	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	379.1752
Annotation	Plagiochiline U
Peak:m/z	Relative Intensity
51.72681	1.1
53.03951	7.6
53.83891	1.5
55.01865	3.9
55.05505	5.2
56.62979	1.4
57.03431	5.5
61.02922	4.0
65.03941	2.9
67.05515	9.0
68.99783	1.8
69.03430	22.3
69.07078	2.1
69.59015	3.2
69.59419	4.3
70.06591	2.7
71.01360	1.5
71.04998	22.3
72.08157	15.5
79.05500	12.9
81.03426	22.9
81.07056	5.8
81.95517	1.3
83.04991	3.4
85.02429	2.0
85.02911	29.6
85.06544	4.2
86.09699	3.1
87.04477	3.2
91.04962	1.8
91.05484	20.8
93.03367	1.5
93.07040	6.2
93.77327	1.3
95.01313	1.5
95.04991	8.1
95.08609	2.5
97.02342	1.2
97.02900	5.4
97.06533	4.6
99.04417	2.7
103.05466	3.0
105.03362	1.5
105.07052	12.9
107.04967	7.0
107.08585	3.9
109.02914	2.9
109.06509	3.1
111.04463	4.0
113.06085	1.5
114.79449	1.5
115.05444	5.6
115.90506	1.3
117.06997	9.8
119.04963	3.0
119.08586	6.5
120.08099	5.3
121.06497	4.4
121.35075	1.6
123.04435	3.3
123.08063	4.5
125.06011	1.6
127.03912	5.3
127.07500	2.0
128.06218	14.0
129.07010	21.6
130.07758	2.4
131.04941	7.5
131.08588	7.8
133.06465	5.7
133.10109	1.8
135.08051	3.2
137.05971	5.5
139.03845	2.0
139.07549	1.6
141.06987	9.8
142.07780	5.0
143.08572	13.1
145.05011	1.4
145.06470	7.1
145.10107	6.0
147.04395	2.6
147.08058	6.0
149.09566	3.0
151.03954	1.6
151.07533	3.9
152.06229	2.1
153.05634	1.4
153.06985	5.0
154.07698	1.9
155.08565	6.8
157.06447	9.8
157.10153	2.7
158.07236	6.2
159.08073	2.5
159.11684	1.9
161.05978	1.9
161.09615	2.9
163.07568	3.3
165.07013	4.0
166.07687	1.8
167.07082	4.0
167.08495	2.5
169.06569	1.7
169.10049	3.1
171.08043	12.1
171.11702	3.6
172.08771	4.8
173.05934	2.4
173.09589	5.9
173.13206	1.5
174.34349	1.4
175.07475	1.7
175.08826	1.6
177.05463	2.8
179.06985	8.6
181.04953	16.5
181.10051	2.4
183.04471	1.4
183.08035	3.1
184.08789	2.2
185.08195	1.5
185.09599	8.6
187.07571	2.3
189.09097	2.7
189.12767	1.7
197.09578	4.1
199.11186	37.2
200.11584	1.7
201.12770	2.7
203.05200	2.1
207.06508	14.1
211.11119	1.7
213.12810	1.8
214.11795	1.6
215.10683	3.1
217.04747	4.0
217.12253	22.0
218.12492	1.8
229.12207	2.5
231.13803	1.4
231.69196	1.5
235.13268	5.0
252.27899	1.4
259.13293	47.0
260.13687	3.4
289.14285	8.6
313.13684	1.5
319.15424	22.6
329.46384	1.6
333.13229	1.7
343.15396	4.2
361.16452	15.0
362.16797	1.9
379.10074	51.7
379.17456	100.0
380.10019	4.0
380.17709	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	379.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.3
55.01873	18.7
55.05506	8.4
57.03437	10.5
61.02928	21.7
62.80589	3.8
65.03936	9.4
67.05499	14.1
68.99770	3.7
69.03431	76.7
70.06580	14.5
71.01361	5.9
71.04996	100.0
72.08157	4.8
73.02933	16.2
79.05486	24.5
81.03425	48.0
81.07054	10.2
82.05032	2.8
83.04978	6.9
84.08147	5.6
84.22250	2.9
84.70612	2.8
85.02906	92.0
85.06557	4.2
86.09698	13.9
86.85671	4.1
87.04477	23.9
91.03951	3.8
91.05482	48.2
93.03405	5.9
93.07024	8.7
95.04976	9.3
95.08594	4.2
97.02895	31.7
97.06549	17.2
99.04452	12.5
103.05468	9.7
105.03390	4.1
105.07042	24.5
107.04940	15.6
107.08613	4.3
109.02866	11.8
111.04461	4.5
115.05463	16.5
116.06202	4.4
117.07039	26.5
119.04961	6.1
119.08583	10.5
121.06478	9.7
123.04449	4.4
123.08032	7.2
127.03928	26.1
128.06230	43.5
129.07018	70.0
131.04956	5.9
131.08580	17.7
133.06456	16.2
135.08060	8.7
136.07555	4.0
137.02321	17.3
137.05937	9.2
141.07028	19.1
142.07767	9.2
143.08553	27.1
144.05710	3.7
145.04982	5.8
145.06488	14.8
145.10144	7.8
147.04434	8.8
147.08040	6.3
151.07573	8.4
152.06110	4.1
153.05759	3.6
153.06995	13.5
154.07758	3.6
155.06102	5.5
155.08514	22.9
156.09378	5.3
157.06502	26.1
157.10101	7.8
158.07256	11.0
159.08031	7.7
161.06046	4.4
163.07515	4.5
165.05505	8.5
165.07024	13.6
166.07787	12.5
167.07022	10.3
169.06482	5.2
169.10173	6.2
171.06572	4.8
171.08025	33.4
171.11746	7.4
172.08803	6.4
173.09595	5.6
175.07605	3.6
177.05502	6.1
179.07028	24.1
179.08401	4.3
181.04961	54.1
181.06487	5.7
181.08577	5.8
181.10159	9.7
183.06587	7.8
183.11743	3.5
184.08896	4.5
185.09547	8.0
187.07599	4.1
189.12695	3.4
195.07973	3.3
199.11177	83.9
200.11510	5.7
201.12756	9.9
203.05164	4.5
204.08842	6.3
207.06517	58.8
216.08824	51.2
217.09171	3.7
217.12245	34.4
230.10432	6.6
235.13371	4.6
240.08789	8.3
246.09782	9.8
259.13290	43.7
260.13690	4.0
273.11133	6.4
286.09326	20.0
289.14438	4.4
301.10614	5.0
319.15372	18.6
333.13327	9.0
343.15195	5.4
344.01254	3.9
361.12463	6.2
361.16531	15.7
379.09845	45.7
379.17490	92.9
380.17844	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	379.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	4.2
51.96892	2.8
53.03951	33.5
55.01637	3.0
55.01866	18.7
55.05504	10.0
57.03431	10.9
61.02929	9.6
65.03932	10.9
67.05500	20.4
69.03428	50.4
70.52766	7.4
71.04991	100.0
73.02917	5.7
75.35000	3.0
79.05495	34.5
81.03411	34.4
81.07044	11.7
83.04992	9.0
85.02905	56.9
85.62106	3.3
86.57216	3.3
87.04471	6.9
89.03881	3.7
91.05476	48.7
93.03407	13.7
93.07059	14.3
95.04953	16.1
95.08594	10.1
97.02888	21.6
97.06538	8.7
99.04461	6.8
103.05466	7.8
104.88857	3.3
105.04488	5.2
105.07029	37.8
107.04950	12.1
107.08598	11.5
109.02882	29.9
109.06498	5.5
109.10156	5.4
110.03224	4.3
111.04448	5.9
114.09222	3.4
115.05424	21.0
116.06258	4.6
117.07040	19.0
119.08558	18.7
121.06499	10.3
121.10130	5.9
123.08086	6.5
124.07595	3.2
127.03922	20.1
128.06221	72.1
128.07114	6.0
129.07031	50.1
131.04984	7.0
131.08618	14.9
133.06520	6.3
133.10110	11.1
135.08060	14.1
136.07576	15.8
137.05957	6.7
138.09122	9.8
141.06990	17.9
142.07777	12.4
143.08572	19.1
144.05809	3.4
145.04936	3.3
145.06476	12.2
145.10109	10.8
147.08061	8.3
147.11658	8.4
151.03922	5.2
151.07648	4.7
152.06123	3.4
153.07027	20.4
154.07745	10.6
155.06046	8.2
155.08577	13.8
156.09296	4.4
157.06480	13.3
157.10153	9.9
158.07097	4.4
159.08046	5.5
159.11772	7.2
161.09621	5.3
161.13190	4.3
164.07089	15.5
165.07010	24.2
166.07773	9.1
169.06459	5.6
169.10150	4.4
171.08061	7.6
171.11664	7.8
173.05980	4.7
173.13293	6.5
174.69269	3.4
175.07512	5.9
175.11206	7.1
175.14752	3.4
178.07649	3.0
179.08557	3.7
181.10194	4.9
184.08794	4.1
185.09647	4.3
187.11272	4.2
197.09775	3.6
199.11163	37.4
199.14838	8.7
201.09038	3.2
203.06976	4.3
203.33173	3.4
207.06560	3.9
213.22496	3.1
217.12158	14.8
229.08397	4.0
236.09128	3.8
264.11844	3.4
361.13071	3.6
365.19830	4.0
379.17215	14.5
379.21634	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	379.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
57.07062	0.9
59.04994	2.5
67.05508	1.8
69.07068	1.3
69.88280	1.0
69.88582	4.3
71.17696	0.9
79.05486	1.7
81.07047	2.8
89.31422	0.8
91.05518	1.1
93.07049	2.7
95.08595	3.5
96.38895	0.9
105.07050	2.6
107.08613	1.4
109.06505	1.1
109.10149	1.6
109.82931	0.7
119.08588	3.3
121.10137	2.3
123.11658	1.3
131.08585	1.3
133.10106	1.9
138.55095	0.8
143.08574	1.1
145.10158	1.4
147.11710	1.5
159.11740	1.3
171.11639	0.9
196.12454	1.1
228.52422	0.9
357.84543	1.0
379.24564	100.0
380.24896	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	380.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01879	6.4
55.05515	4.3
57.03442	2.5
57.63779	1.4
57.80250	1.3
58.51498	1.2
59.21874	1.2
61.02933	2.1
67.05509	15.8
69.03429	6.6
69.07061	2.2
69.34767	7.0
69.35170	2.5
71.04996	22.6
76.50880	1.2
79.05494	4.1
81.03433	8.5
81.07062	6.8
83.04961	8.0
85.02911	17.4
85.06554	2.1
86.09670	1.6
90.84959	1.3
91.05483	5.7
91.11627	1.3
93.07041	7.1
94.04156	1.5
95.04972	11.6
95.08607	16.7
97.02915	3.0
97.06548	1.6
99.04430	2.4
105.07064	3.3
107.04988	1.9
109.06535	1.8
109.10156	11.8
111.04434	10.0
113.06039	4.9
116.20531	1.4
119.08588	4.8
120.08099	4.7
123.08070	100.0
124.08420	2.6
129.05473	2.3
131.08534	1.3
137.09604	17.5
144.18594	1.3
145.05031	1.7
147.08020	2.7
154.05054	1.7
155.10670	81.1
156.11064	3.2
165.09088	6.9
183.10173	11.9
186.04767	1.3
195.14676	1.3
223.44481	1.4
320.58051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31472	3.6
60.18578	3.0
62.84182	3.2
69.20206	2.4
69.20332	5.4
69.20747	21.5
87.94445	3.1
97.57226	3.1
168.23013	3.5
201.01608	4.6
381.07959	100.0
382.08185	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.33447	4.1
67.79644	4.4
70.80753	9.0
97.70954	3.5
106.63287	4.3
118.15377	4.0
130.57590	4.2
191.93182	3.9
239.99590	4.2
321.10410	4.4
381.07935	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
62.31318	0.3
62.99678	0.3
63.07867	0.3
64.39565	0.3
67.05496	0.4
69.03430	0.4
70.02886	0.4
70.03186	0.5
70.06575	0.7
72.08160	0.5
79.05482	0.5
80.06104	0.3
81.07045	0.3
84.08147	0.9
85.02892	0.5
86.09690	0.9
91.05435	0.3
91.10320	0.3
97.68568	0.3
105.07049	0.5
107.08597	0.5
110.07172	2.4
120.08101	0.4
128.52281	0.3
169.05913	0.5
171.10158	0.8
177.05452	0.5
180.38609	0.3
194.08151	0.5
206.42131	0.3
223.15747	0.4
251.15105	0.5
262.65436	0.3
268.12628	0.6
278.18243	0.3
282.14337	1.4
309.40247	0.4
381.11551	100.0
381.21136	4.9
381.72583	0.4
382.11890	6.7
382.19394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52692	2.0
56.05047	2.4
56.66938	2.0
56.96566	2.6
60.04531	2.3
69.07866	4.6
69.08273	15.6
70.06586	2.4
74.06075	9.8
84.08138	6.2
85.02912	3.5
86.09723	2.9
102.05583	2.6
108.11690	2.5
110.07146	3.5
120.08132	12.8
126.05507	2.5
129.06624	3.3
129.10243	3.1
136.06203	8.6
149.06079	2.3
166.08653	2.5
202.10896	2.4
219.06277	38.2
220.11954	7.6
321.43735	2.4
381.11600	100.0
382.12238	4.4
382.16898	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	381.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	16.3
55.01876	24.7
55.05510	12.2
57.03432	18.9
60.04506	4.2
61.02925	14.5
65.03941	4.4
65.15593	2.5
67.05517	22.0
69.03433	62.8
69.06726	4.0
69.07075	58.7
70.06571	4.4
70.53501	8.0
71.01345	3.3
71.04987	16.3
72.66824	2.3
73.02919	13.1
73.06563	3.7
73.22935	2.3
79.05502	41.5
81.02979	4.0
81.03421	51.2
81.07058	39.9
83.04983	9.7
85.02908	80.2
85.06551	4.3
86.09698	9.4
87.00828	6.3
87.04466	9.5
87.10036	2.8
91.03947	3.1
91.05484	47.1
93.07055	23.3
93.21513	2.5
95.01298	4.0
95.04989	12.8
95.08610	9.4
97.02906	32.0
97.06549	8.2
99.04450	7.9
99.08096	11.0
101.02358	3.4
103.05469	13.9
105.01873	8.3
105.03396	3.3
105.07031	69.3
107.04964	24.5
107.08588	10.5
109.02863	11.8
109.06516	4.6
111.04461	5.6
115.05449	11.9
115.07600	3.8
117.07027	28.7
117.09161	7.7
119.04941	6.9
119.08569	14.5
120.08100	6.8
120.27599	3.3
120.94357	2.7
121.06515	20.2
121.08425	5.2
121.10099	4.7
123.08060	12.0
124.08395	2.8
124.41442	2.4
125.09619	13.3
125.10449	3.0
127.03919	25.4
128.06227	9.2
129.07021	42.0
131.04929	13.7
131.08574	21.6
133.06496	35.6
133.10127	5.2
135.08046	8.2
136.07556	3.6
137.09647	2.9
141.06998	9.6
142.07787	3.4
143.08510	5.3
145.04987	9.3
145.06487	24.5
145.10127	9.7
145.47427	3.0
147.08025	12.2
149.05989	10.8
155.08530	3.5
157.06470	3.2
157.10114	5.4
159.08040	16.9
159.11658	5.8
163.03847	2.8
163.07585	3.0
165.09106	7.9
173.09630	5.8
173.13246	5.9
183.11833	3.0
190.78812	2.7
201.12737	30.9
203.14259	5.6
219.13817	100.0
220.14180	5.2
231.05026	5.1
234.16838	3.7
237.14720	4.0
261.14862	14.3
278.04849	5.8
324.94757	2.7
353.16238	2.5
363.18027	4.8
381.19031	83.7
382.19287	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	381.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01869	0.7
55.05514	1.5
57.03436	1.6
57.07071	1.8
59.05003	0.5
61.02913	0.7
67.05506	5.1
69.03430	100.0
69.07063	0.6
70.03763	1.4
70.68355	0.7
70.68712	0.3
71.01365	0.5
71.04993	25.9
72.05361	0.5
73.02921	0.8
79.05491	2.8
81.03432	2.1
81.07059	2.1
83.04982	0.7
84.08182	0.3
85.02908	6.0
85.06544	31.6
86.06896	0.5
87.04488	0.7
91.05483	6.9
93.07040	2.6
95.04964	1.3
95.08622	0.8
97.02894	2.8
97.06533	0.5
99.04463	0.9
101.02379	0.6
103.05537	0.4
105.03407	0.4
105.07027	6.1
105.27325	0.3
107.04964	0.8
107.08602	1.2
107.65840	0.3
109.02868	0.9
109.06562	0.9
111.08105	1.0
115.05446	0.5
116.51488	0.4
117.07026	3.0
119.08583	3.6
121.06508	1.7
121.10136	0.7
123.08086	0.9
125.06067	0.3
127.03954	1.2
127.07794	0.4
129.07022	1.5
131.08556	4.8
131.09351	0.4
132.08955	0.4
132.35422	0.3
133.06517	1.2
133.10126	6.4
135.08060	2.9
137.06000	0.5
140.76730	0.4
141.07057	1.0
142.07826	1.0
143.08594	1.0
145.06512	1.4
145.10103	2.6
147.08064	1.0
147.11653	0.6
149.09621	7.5
150.09956	0.5
154.07863	0.6
155.08557	1.7
157.10152	1.0
158.07352	0.4
159.08066	3.5
159.11761	1.5
160.08792	0.4
165.35661	0.4
168.09367	0.4
168.98679	0.3
171.11815	0.5
173.09663	1.3
173.13306	1.6
175.07536	0.5
177.09109	0.5
178.57047	0.3
183.11699	0.9
191.14349	0.5
193.25998	0.4
194.09444	0.8
201.12756	4.1
219.13806	36.0
220.14159	2.2
229.12299	0.4
349.44092	0.4
379.80438	0.3
381.18945	3.1
381.22339	0.3
382.19272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03951	1.8
55.01867	3.2
55.05516	3.6
57.03440	3.1
57.07085	1.8
61.02923	2.1
64.58927	0.7
67.05507	10.1
69.03430	100.0
69.06517	7.1
69.07066	1.6
70.03722	1.2
71.01373	0.9
71.04995	41.6
71.38316	0.7
73.02915	2.4
79.05498	9.6
81.03421	7.1
81.07061	7.5
83.04989	3.2
85.02909	22.1
85.06546	30.2
86.06877	1.1
87.04468	2.7
91.05482	16.3
93.07054	7.9
95.04965	8.7
95.08632	3.0
97.02901	5.5
97.06544	3.9
99.04482	2.0
101.06007	1.0
103.05462	1.1
105.07030	12.5
107.04955	3.3
107.08599	5.7
109.02892	3.9
109.06490	3.8
109.10116	1.2
111.04459	1.5
111.08094	1.3
115.05455	2.0
117.07012	6.8
119.08568	8.2
121.06554	4.4
121.10145	4.1
123.04443	1.4
123.08074	3.5
125.06006	2.2
125.09680	1.5
127.03900	5.5
128.06245	1.8
129.06999	4.9
131.04854	1.2
131.08585	9.6
133.02888	0.9
133.06493	3.8
133.10135	8.8
135.04428	0.8
135.08060	8.6
137.06001	4.7
141.07053	2.6
142.07843	2.0
143.08572	3.6
144.05737	1.0
144.09344	1.2
145.05002	1.8
145.06477	4.2
145.10127	5.8
147.08011	5.3
147.11740	2.2
149.05969	1.2
149.09619	16.8
151.07564	2.6
155.08505	3.6
156.09375	1.1
157.06508	1.1
157.10110	4.3
158.07318	1.1
159.08009	6.2
159.11703	3.2
160.43242	0.7
161.09657	1.8
163.07585	1.3
163.11159	1.2
165.07085	1.0
167.08607	1.1
168.09355	1.8
169.10205	1.6
171.08073	2.4
173.09549	5.5
173.13283	2.4
175.07501	3.6
175.11157	1.5
177.12744	0.9
183.08127	1.4
183.11746	2.4
185.09653	1.6
185.13219	1.1
187.07416	0.8
187.11235	1.1
189.09135	2.2
189.12834	1.1
191.10658	0.9
191.14334	1.0
193.08644	2.4
199.11226	1.9
201.12784	5.3
201.16502	1.2
211.11243	1.4
215.10884	0.8
217.12292	2.9
219.13799	43.0
220.14223	3.0
225.12759	1.6
237.09041	1.0
237.14877	1.2
243.13866	1.3
327.16003	0.9
345.16986	1.1
363.17950	1.3
381.14407	1.1
381.19110	13.4
381.23758	1.1
382.19641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01879	0.6
55.05515	0.9
57.03435	1.7
57.07084	2.2
61.02944	0.7
61.74111	0.4
65.03939	0.4
67.05510	4.7
69.03434	100.0
69.07068	0.6
70.03757	2.0
70.67859	0.8
71.04998	24.0
73.02924	1.2
79.05505	2.1
81.03409	2.0
81.07064	1.5
83.04977	0.5
85.02911	5.8
85.06550	25.4
86.06887	0.7
87.04498	0.8
90.31746	0.4
91.05491	6.7
93.07052	1.7
95.04964	1.2
95.08598	0.5
96.91573	0.4
97.02879	2.0
97.06521	0.4
99.04484	0.5
104.59010	0.4
105.07047	5.3
107.04937	0.6
107.08607	1.2
109.02915	0.4
109.06534	1.2
111.08112	0.9
115.05453	0.7
116.06302	0.5
117.07004	1.5
119.08587	2.9
121.06538	1.4
123.08112	0.7
126.12724	0.4
127.03946	1.9
129.07036	1.3
130.78719	0.4
131.08568	3.5
132.05846	0.4
132.08864	0.5
133.10135	5.2
135.08035	2.7
140.66600	0.4
141.06966	0.7
143.08617	0.6
145.06531	1.3
145.09123	0.4
145.10165	1.5
147.08069	1.1
149.09627	7.5
150.09935	0.6
155.08543	0.9
157.10112	0.8
159.08099	2.9
159.11670	1.0
173.09665	1.3
173.13319	1.1
183.11748	1.1
191.14458	0.6
201.12740	3.8
215.38414	0.4
219.13821	36.6
220.14148	2.5
222.07750	0.5
381.19095	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01871	7.2
55.05518	4.5
57.03441	10.3
61.02930	15.3
63.09121	1.8
65.03931	3.3
67.05505	37.9
69.03431	48.6
69.07039	1.6
69.20078	11.2
71.01365	1.9
71.04988	21.7
73.02918	10.2
79.05495	12.0
81.03414	19.4
81.07051	11.9
83.01358	2.9
83.04985	4.1
85.02907	100.0
85.06545	6.5
86.03208	1.4
87.04475	13.1
87.42779	1.4
91.03941	5.1
91.05478	22.6
93.07043	14.1
94.04182	2.0
95.04968	53.0
95.08634	3.8
97.02894	27.7
97.06557	3.2
99.04461	6.4
101.02348	2.2
101.55109	1.7
103.03993	2.5
103.05462	4.0
105.07033	17.2
106.07333	1.6
107.04948	5.2
107.08611	4.7
109.02876	12.3
109.06529	4.4
111.08141	2.0
115.05481	5.8
116.06251	2.2
117.07030	11.2
119.04955	2.9
119.08601	6.9
121.06531	6.7
121.10134	2.2
122.03659	6.2
123.04559	1.7
123.08120	3.1
127.03909	21.3
128.06245	4.2
129.06993	6.4
131.04936	4.5
131.08565	13.4
132.05707	3.5
133.06474	7.7
133.10149	2.5
135.04411	11.5
135.08052	4.8
136.85971	1.6
137.05975	58.2
138.06332	2.0
141.06993	6.1
142.07732	2.1
143.08577	4.8
144.05746	2.7
145.04962	11.6
145.06483	5.1
145.10152	6.7
145.97891	1.6
146.07111	1.9
147.08051	15.8
147.11661	1.9
149.09618	2.5
151.07497	8.1
153.07065	2.4
155.08530	3.8
159.08110	4.2
159.11710	2.5
160.05266	2.4
161.06047	3.9
161.09567	2.7
162.06807	2.0
163.07538	1.7
165.06964	2.3
167.08600	2.2
168.09267	1.7
169.10149	1.7
169.13866	1.5
171.08032	2.1
173.09631	5.8
173.13316	3.4
175.07542	47.4
176.07845	2.7
182.07300	2.7
183.07991	1.9
185.09644	3.1
187.07497	2.6
189.09145	9.6
197.09673	2.5
199.07654	2.5
199.11249	1.7
201.09071	5.8
201.12733	8.6
212.08263	3.8
213.09227	7.5
215.10788	3.3
219.13805	75.0
220.14159	4.2
225.09216	2.2
225.12871	2.1
227.10634	9.7
229.12512	1.6
231.13812	4.8
239.10571	8.7
243.13817	2.8
257.11743	8.6
261.14847	11.6
325.64154	2.1
331.13174	2.2
345.16803	2.1
349.14188	1.8
363.16037	2.3
381.12811	2.0
381.18698	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	381.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01879	1.5
55.05507	2.3
57.03437	2.6
57.07092	1.8
59.04990	0.4
61.02919	1.2
63.49060	0.4
65.03938	0.6
67.05169	0.7
67.05502	6.4
69.03431	100.0
69.07063	0.6
69.17014	0.9
69.17421	2.2
70.03774	1.6
71.01351	0.6
71.04996	29.1
73.02921	1.3
79.05486	3.9
81.03413	2.9
81.07044	3.2
83.05001	0.8
83.08639	0.4
83.93974	0.3
85.02905	8.2
85.06545	29.9
86.06892	0.9
87.04473	0.5
91.05482	8.3
93.07054	3.4
95.04989	2.5
95.08621	1.4
97.02894	2.9
97.06544	0.8
98.23304	0.6
99.04482	0.9
101.02415	0.6
105.07032	7.5
107.04948	0.7
107.08616	2.0
109.02894	1.5
109.06551	1.1
109.10185	0.6
111.08114	0.7
115.03917	0.5
115.05487	0.6
116.06261	0.5
117.07019	2.7
119.08595	5.2
121.06538	1.4
121.10143	1.0
123.08085	1.1
125.09551	0.4
127.03931	2.5
128.06223	0.9
129.06976	2.0
129.09019	0.3
131.08571	7.6
133.06511	1.2
133.10144	6.9
135.08044	3.3
135.11682	0.4
137.05986	0.5
141.07025	1.6
142.07791	0.8
143.08611	1.1
144.05672	0.6
145.04958	0.4
145.06480	1.8
145.10112	3.1
147.08063	2.0
147.11719	0.9
148.21484	0.4
149.09627	5.8
153.07089	0.6
155.08575	2.1
157.06592	0.5
157.10149	1.6
158.07289	0.5
159.08064	5.1
159.11617	2.1
161.09650	0.5
168.09332	0.5
169.10123	0.4
171.11731	0.7
173.09656	1.5
173.13229	1.8
175.11252	0.5
177.09041	0.4
177.12866	0.4
180.40805	0.4
183.11665	1.8
189.12776	0.6
191.14427	0.6
201.12741	5.2
203.80193	0.4
219.13809	42.9
220.14172	3.0
243.13742	0.5
381.05600	0.4
381.19147	3.9
381.23495	0.6
382.19003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2042
Annotation	SCHEMBL16982124
Peak:m/z	Relative Intensity
53.01182	2.8
56.00777	3.4
56.96562	27.3
60.67231	3.3
62.67667	3.0
65.13967	2.8
70.00598	11.7
71.95300	3.8
71.97952	3.1
72.92789	3.2
77.14101	3.1
79.05509	4.1
81.07069	5.2
84.96067	3.2
109.08308	3.9
110.97570	8.1
119.08640	3.6
121.54243	2.9
128.98643	7.6
146.99612	4.0
194.80559	3.2
214.05000	3.3
214.13660	2.8
217.07494	3.8
225.07974	3.3
229.07462	16.5
235.96844	3.7
237.69843	3.2
239.09689	8.9
247.08577	5.2
251.09564	4.9
255.09044	5.1
257.10754	10.0
265.11047	4.2
269.10580	5.1
283.12180	19.3
288.69092	3.4
305.14175	9.7
322.60413	3.7
329.12668	6.7
331.15588	5.6
349.16641	8.6
381.19620	100.0
381.24521	5.9
382.19836	9.9
399.20432	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	381.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14984	6.2
53.83979	5.4
59.04990	12.3
66.50202	5.5
67.05498	8.0
69.07071	8.7
71.08628	9.8
71.20237	5.5
71.31815	7.2
79.05500	9.8
81.07062	21.8
91.05497	11.0
93.07066	12.1
95.04967	11.9
95.08611	13.7
105.07044	10.3
107.08606	6.3
109.06538	18.2
109.10171	8.6
119.08584	7.3
121.10168	5.2
127.17988	5.2
128.50632	5.8
133.10202	5.9
134.49371	6.6
143.47765	5.7
145.10155	10.6
159.11748	6.9
161.13377	8.3
165.12729	37.2
173.13313	5.8
183.73701	7.3
207.09953	19.5
211.14891	6.9
261.22089	9.6
277.52719	6.3
281.17285	7.3
289.21539	34.2
307.22812	7.4
347.21902	100.0
363.21329	15.2
381.26404	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	381.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08060	1.5
55.01879	2.8
55.05521	10.3
57.03435	3.8
57.07075	6.6
59.05006	1.5
64.52877	1.5
67.05508	16.3
69.03451	3.1
69.07059	11.8
69.64055	3.5
69.64458	3.4
71.05003	2.0
71.08640	13.5
79.05497	10.2
80.94853	2.8
81.07067	22.8
82.94571	1.5
83.04990	3.7
83.08640	2.4
85.06566	3.5
89.51376	1.4
91.05485	15.5
93.07040	15.4
95.04974	22.7
95.08603	20.5
97.06544	5.9
99.08107	7.4
105.07033	13.5
107.08595	14.0
109.06515	41.1
109.10152	5.6
117.07030	4.2
118.97527	1.5
119.08595	13.6
121.06488	12.9
121.10143	7.9
123.08071	5.4
123.11691	2.5
131.08560	8.0
133.10146	7.4
135.08073	5.6
135.11693	2.9
137.09610	3.2
143.08554	3.1
145.10155	8.7
147.08061	1.9
147.11752	4.0
149.13316	3.7
159.11681	4.8
161.13232	3.0
163.11172	9.0
163.14897	2.1
165.12758	99.4
166.13142	3.2
173.13304	4.2
175.14951	1.9
177.12761	3.8
178.88333	1.7
181.15851	4.4
187.14798	2.1
191.14316	20.6
199.14885	1.8
205.15982	2.2
261.22153	12.1
271.20566	3.0
289.21619	100.0
290.22012	6.3
307.22748	8.1
363.25137	4.4
381.21530	3.2
381.26434	44.9
381.31509	5.7
382.26489	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	381.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33870	1.5
53.03948	2.1
55.05508	8.6
57.07066	4.7
60.74841	1.7
67.05506	13.9
69.07059	20.2
79.05502	9.9
81.07056	28.7
83.08621	6.8
85.06537	2.6
91.05473	12.8
93.07049	31.3
94.07381	1.9
95.04922	2.0
95.08607	54.6
97.06530	4.1
97.10146	3.0
98.22594	5.9
105.07034	24.6
107.08600	48.7
109.10153	27.1
110.03741	1.9
117.07013	2.3
119.08578	33.4
121.06519	3.0
121.10154	43.1
123.08083	3.9
123.11697	9.7
129.06979	2.0
131.08589	13.5
133.10133	100.0
134.10439	3.9
135.08102	4.5
135.11702	31.2
137.09653	1.9
137.13269	4.7
143.08542	3.7
144.09334	3.6
145.10098	13.4
147.11694	50.9
149.09627	2.0
149.13217	17.2
151.11253	2.1
157.10129	6.6
158.10893	2.8
159.11710	15.5
161.13254	13.0
163.11270	3.3
163.14845	12.9
171.11685	3.7
173.13271	16.9
175.14804	9.3
177.12740	14.1
177.16411	5.6
183.11736	3.7
185.13301	3.8
187.14836	4.1
189.16420	9.4
191.14369	24.2
191.17944	93.2
192.18327	5.7
193.15895	5.3
197.13304	3.1
199.14920	4.7
201.16414	6.3
203.17953	18.0
205.15820	2.4
211.14798	2.7
213.16379	4.3
215.17903	3.6
217.15923	4.2
217.19530	9.0
239.18109	2.7
241.19475	2.1
253.19528	4.7
267.21054	3.8
269.22577	5.1
271.20734	3.0
293.22504	2.6
307.24057	2.2
321.25735	2.8
363.30362	17.1
364.30884	2.4
381.27222	2.2
381.31491	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3151
Annotation	Dendronesterone C
Peak:m/z	Relative Intensity
53.40073	2.8
55.05512	10.5
55.68707	2.5
67.05506	16.0
69.07075	21.1
71.04998	3.3
71.31557	3.3
73.22057	2.4
79.05483	13.0
81.07058	31.7
83.08614	10.8
91.05480	12.9
93.07043	30.2
95.08608	55.9
95.09132	2.0
95.28300	2.7
97.06538	5.4
97.10174	6.0
98.81820	2.9
105.07034	30.0
107.08598	43.9
109.10148	26.3
111.11734	4.2
117.07014	6.5
119.08580	32.6
121.06490	3.1
121.10141	34.6
123.08124	5.3
123.11714	14.3
131.08572	12.9
133.10141	51.8
135.08110	7.9
135.11722	23.6
137.13284	6.7
143.08595	9.1
145.10129	18.5
147.11711	25.7
149.13248	17.8
151.14851	3.0
155.08589	3.1
157.10159	10.9
158.10838	3.2
159.08110	3.5
159.11717	18.3
161.13249	10.7
163.11214	3.4
163.14859	10.7
169.10158	5.3
171.11742	10.8
173.09616	2.8
173.13280	14.9
175.11217	4.4
175.14806	12.6
177.12733	14.0
177.16457	6.3
183.11748	3.5
185.13286	8.9
187.14871	7.8
189.12758	3.7
189.16446	8.7
191.14307	16.0
191.17912	33.7
191.19235	2.8
197.13301	4.1
199.14851	8.2
201.16467	10.8
203.14349	4.3
203.17964	24.4
211.14922	5.0
213.16431	5.3
215.14383	3.1
215.17931	3.9
217.15935	6.7
225.16475	3.7
227.17899	5.5
229.15814	4.1
231.17432	3.7
239.17938	4.3
241.19641	3.7
243.17480	9.9
245.18843	3.4
257.19012	4.0
269.22897	3.5
283.20389	3.0
285.22018	3.8
293.22879	4.0
311.23755	4.0
325.25327	3.7
363.30392	17.0
381.31561	100.0
382.31912	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	381.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01868	1.4
55.05516	12.2
55.49405	1.1
57.03436	2.8
57.07066	3.7
65.03916	1.8
67.05503	18.3
69.07069	26.0
71.05002	2.0
79.05491	19.1
81.07056	46.5
83.04965	1.4
83.08617	8.4
85.06517	2.4
91.05482	26.5
93.07045	58.1
94.07390	1.2
95.04974	2.0
95.08606	78.5
96.08941	2.6
97.06547	6.5
97.10174	5.7
98.98509	1.1
104.77454	1.1
105.07031	47.4
106.07353	2.0
107.04983	1.2
107.08591	75.1
108.08916	1.9
108.48511	1.1
109.06525	5.2
109.10159	38.2
110.10465	1.5
111.08069	3.1
111.11668	2.6
116.06274	1.1
117.07005	11.2
119.08580	57.9
120.08877	2.0
121.06486	2.3
121.10139	62.8
122.10499	2.2
123.08026	6.7
123.11692	16.1
129.07024	4.1
130.07793	2.2
131.08566	28.6
133.10129	100.0
134.10471	2.7
135.08060	4.4
135.11693	60.2
136.12100	2.1
137.09605	1.8
137.13251	8.4
142.07751	1.6
143.08556	5.3
144.09346	5.2
145.10121	28.5
146.10478	1.4
147.11684	49.5
148.12001	1.8
149.09644	2.3
149.13260	32.3
149.14456	1.6
150.13539	1.3
151.11235	3.1
151.14844	2.2
153.12778	1.3
155.08659	2.2
157.10112	11.4
158.10933	2.2
159.11691	38.7
160.12144	1.8
161.09557	1.6
161.13251	23.1
161.87538	1.2
163.11189	3.1
163.14827	27.9
164.15213	2.2
165.12737	2.2
169.10127	4.0
171.11664	7.2
173.13281	25.3
173.14789	1.5
175.11189	1.3
175.14818	18.6
176.15121	1.1
177.12743	35.2
177.16357	12.8
178.13049	1.7
179.12605	0.9
179.14284	4.5
183.11732	4.8
184.12563	1.5
185.13284	7.7
187.14818	11.5
189.12747	3.7
189.16379	18.1
189.52737	1.1
191.14316	51.0
191.17940	85.6
192.14691	2.3
192.18268	2.0
193.15857	10.3
195.13837	1.6
197.13232	4.0
199.14835	11.5
201.16371	27.7
202.16833	1.6
203.14339	5.6
203.17949	47.7
204.18324	2.9
205.15887	2.6
205.19559	3.9
207.17500	3.2
209.13144	1.5
211.14874	3.9
212.09471	1.1
213.16348	6.3
214.16563	1.4
215.14536	1.6
215.17970	8.7
217.15878	4.1
217.19482	6.0
219.17506	5.6
225.16399	3.9
227.17966	4.6
229.15872	1.9
229.19588	2.7
231.17484	3.4
233.19072	2.3
239.18016	4.0
241.19481	2.4
243.17427	2.0
243.21254	1.5
245.19090	2.3
251.17993	1.7
253.19595	5.9
255.21123	3.4
257.19028	3.1
257.22534	1.1
265.19775	1.6
267.21130	4.9
269.22702	3.5
271.20621	4.7
273.22009	1.2
279.21039	2.0
281.22607	1.5
283.20560	1.3
285.22147	4.6
286.22125	1.4
293.22690	2.3
297.22031	1.4
307.24167	4.2
311.23663	3.2
321.25833	3.2
325.25223	2.4
339.26822	2.9
363.26135	2.0
363.30466	26.7
364.30725	2.9
381.31549	95.5
382.31854	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	382.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31194	6.2
53.03950	7.3
55.01875	11.1
55.05511	14.3
56.93149	5.9
57.03419	6.6
59.66876	6.2
60.04521	6.2
66.91695	5.4
67.05510	15.0
69.03427	29.2
69.07057	8.2
69.33649	42.2
70.06594	16.2
71.04987	18.4
72.08165	8.6
73.02888	6.4
79.05510	8.7
81.03413	27.4
81.07050	22.5
81.78332	5.5
83.04996	10.7
85.02900	97.9
85.06526	10.0
86.09699	11.6
87.00825	34.4
87.04464	8.5
91.05481	10.5
93.07038	14.0
95.04932	7.7
95.08599	8.1
97.02897	28.7
97.06548	14.0
99.04477	14.4
99.08098	97.6
101.06000	10.6
105.01842	49.0
107.08562	8.2
109.02933	14.1
109.06526	6.1
110.07184	12.5
113.06019	9.6
117.03436	6.2
117.09137	27.3
119.04961	6.9
121.08530	5.7
121.10166	11.3
123.04375	6.4
125.09617	16.1
125.52089	5.7
127.03927	40.9
133.54471	5.8
136.07613	12.8
139.11165	8.4
141.05421	11.1
141.72554	5.9
143.03383	8.6
145.02852	32.7
145.04927	16.4
148.94696	7.5
149.09573	9.0
156.07690	10.8
159.02977	7.5
159.06520	19.3
167.10716	22.6
171.02875	9.3
174.27505	5.7
177.05461	50.3
185.11739	52.0
203.12691	7.0
204.11266	15.7
220.09685	13.0
220.11827	9.0
221.07648	11.5
250.11943	26.8
263.09949	19.9
281.10931	8.7
304.48859	5.7
304.52390	6.0
320.15851	11.7
329.08511	21.2
364.14642	21.7
382.15628	100.0
382.19986	10.3
383.12906	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
51.18752	2.6
63.58371	2.2
67.05479	2.4
68.65885	2.5
69.03438	2.7
69.07059	3.3
70.06580	2.5
70.87148	4.5
71.29806	2.1
72.04528	5.1
76.63984	2.2
85.02922	4.5
85.06534	3.1
86.09679	7.2
90.05561	53.7
92.48247	2.4
95.04987	4.3
97.37789	2.3
98.02409	8.5
103.07597	4.5
110.07152	7.8
116.03475	8.1
118.97803	2.7
120.08076	5.7
124.07589	9.5
128.98602	2.5
136.07570	3.2
151.91757	2.4
156.07703	10.8
167.10802	2.8
170.06595	2.5
181.05087	2.5
184.00461	3.9
184.09688	10.8
202.10796	16.6
220.11810	100.0
221.12711	4.2
244.75996	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.0
70.26274	1.5
71.95263	2.6
76.46905	0.5
86.92813	0.6
97.02882	0.6
98.97585	100.0
99.97924	0.9
116.98627	45.3
129.06674	0.5
134.99666	12.2
140.00198	1.1
141.51501	0.5
145.66489	0.5
153.00699	1.3
164.33122	0.5
189.09009	0.5
191.88097	0.5
216.98523	0.8
223.04993	1.1
234.99802	1.1
240.98564	4.6
249.57677	0.5
258.99765	56.4
259.99905	4.7
277.00827	79.9
278.00922	5.1
298.98212	0.7
300.02325	1.4
301.01080	1.3
314.34393	0.6
383.00037	1.6
401.01108	4.0
402.01257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1126
Annotation	Austrobailignan 1
Peak:m/z	Relative Intensity
53.03956	0.5
54.90230	0.4
55.01876	4.0
65.03928	2.4
67.05499	2.0
68.99817	0.7
69.86928	1.9
75.04492	0.8
79.05507	0.5
81.03443	0.8
81.07064	0.5
84.08130	0.5
85.02914	0.8
91.05482	1.2
93.07038	0.5
95.04990	0.9
107.08633	0.5
108.02097	0.5
109.10172	0.7
110.03666	1.8
110.54775	0.6
111.04449	2.4
115.05454	1.7
121.02850	0.9
125.06006	1.9
128.06181	0.5
131.04941	1.2
137.05968	0.8
141.06920	0.6
145.06465	0.6
151.03944	1.0
152.06253	2.3
153.04425	0.5
153.05486	3.0
153.06976	2.2
157.06458	0.6
158.09717	0.5
159.04362	0.5
161.06064	0.8
165.06976	6.1
165.08299	0.7
166.07751	2.1
167.08528	1.7
168.05740	0.7
169.06424	0.7
173.06114	0.8
174.06653	0.6
176.06229	0.7
177.07021	2.2
178.07796	11.9
179.07086	0.7
179.08539	2.3
180.05809	0.7
181.06487	6.9
182.07280	0.7
183.07985	0.9
184.05151	0.6
189.07007	6.2
190.07784	2.9
191.08548	3.2
192.09209	0.7
193.05009	0.8
193.06516	3.2
193.10071	0.7
194.07266	5.5
195.08023	4.6
196.08879	1.0
197.05998	0.8
198.06735	0.8
201.05472	1.1
202.07788	1.9
203.08452	1.3
205.06483	8.7
206.07277	8.0
207.08005	4.4
208.05118	1.0
208.08792	2.2
209.05984	4.2
209.09691	1.0
210.06775	2.1
211.07555	3.2
212.08299	1.2
217.06564	1.3
218.07248	6.1
219.08046	5.2
220.05254	0.9
220.08795	2.4
221.05959	4.2
221.09581	4.9
222.06694	5.4
223.07527	3.4
224.08290	5.8
225.05377	0.7
225.09113	2.6
227.06992	1.2
231.08057	1.9
232.05022	0.7
232.08731	0.7
233.06018	3.3
234.06752	16.2
234.09109	0.8
235.07500	7.0
236.04662	0.6
236.08186	3.2
237.05443	1.9
237.09084	4.3
238.06133	1.6
238.09619	0.7
239.07039	1.9
240.07777	1.1
241.08528	1.3
245.06042	1.1
246.06726	2.0
247.07555	3.5
248.08310	3.6
249.05493	2.8
249.09109	8.3
250.06262	3.5
250.09665	1.1
251.07069	6.4
252.07779	7.7
253.08591	4.9
254.05881	0.7
254.09262	0.9
255.06487	0.9
259.07602	1.0
261.05566	1.4
261.09113	1.6
262.06259	3.8
263.07037	3.6
263.10147	0.7
264.07773	5.0
265.05478	0.8
265.08588	9.0
266.05878	0.9
266.09247	2.0
267.06558	1.6
267.10065	1.4
268.07285	1.7
269.08115	2.4
273.05627	0.6
274.06168	1.4
275.06949	1.8
276.07785	3.0
277.05499	0.9
277.08582	20.7
278.05911	1.1
278.09210	6.0
279.06561	4.1
279.10114	1.9
280.07364	5.3
280.10590	0.8
281.07925	2.6
282.08664	1.2
283.09698	0.8
289.08633	0.6
290.05856	0.9
291.06497	1.3
291.09753	1.0
292.07413	2.9
292.10394	0.8
293.08066	8.3
294.08829	3.4
295.06305	0.8
295.09561	4.3
296.07059	0.7
296.10428	0.6
297.07587	1.6
297.11337	0.8
303.06738	0.7
305.08063	35.3
306.08493	3.0
307.06271	0.9
307.09656	4.7
308.06729	2.9
308.09952	1.0
309.07559	2.0
309.11060	1.1
310.08313	0.7
311.09189	2.9
312.09976	0.9
319.09653	0.9
321.07578	9.5
322.08234	3.0
323.09085	7.7
323.12585	0.7
325.10974	0.6
327.12320	0.9
335.09079	3.1
336.09833	0.7
337.10651	3.9
340.09186	0.9
351.08517	0.7
353.10236	1.2
355.11899	2.9
365.10104	1.1
383.11240	100.0
384.11633	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	383.1129
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
51.69322	0.6
55.05510	2.4
67.01858	0.7
67.05505	2.1
69.03443	1.1
69.07077	1.7
69.13269	4.9
76.78817	0.5
79.05496	1.8
81.07085	2.7
83.04983	0.8
83.08611	1.1
91.05487	1.9
93.07037	2.0
95.04978	0.9
95.08620	3.0
105.07036	1.7
107.08598	2.0
109.06541	0.9
109.10162	1.7
115.05426	0.7
117.06993	0.7
119.08615	1.4
121.10162	1.6
123.08090	0.7
123.11649	0.9
128.06244	0.7
129.07025	1.1
131.08583	1.3
133.10149	1.5
137.06009	0.7
139.03937	1.8
141.06966	0.7
142.07726	0.7
143.08594	0.9
144.05598	0.6
145.10135	1.4
153.01840	34.4
153.07004	0.6
155.08609	0.8
157.10161	1.1
159.04384	0.8
159.08128	0.7
159.11707	1.4
161.05998	0.8
161.13272	0.7
165.07169	0.8
169.06352	0.7
183.07965	0.8
187.07574	4.7
189.05501	1.9
201.09192	0.8
209.36516	0.6
226.06311	0.9
229.04871	0.8
229.08557	0.6
237.05373	1.9
253.04857	1.8
257.04453	1.5
258.05322	4.4
265.04922	3.0
271.06021	0.9
279.06439	0.8
281.04462	2.4
282.05228	4.9
283.05945	1.2
286.04712	6.8
287.05399	1.7
293.04538	1.2
293.07806	0.8
295.05997	2.1
297.04019	2.7
298.04813	0.8
299.05615	1.5
305.08105	0.9
309.03967	0.9
310.04703	2.0
311.05527	32.5
312.05930	2.3
313.03488	1.1
321.07449	0.8
323.05667	4.6
324.06253	1.1
327.05066	1.7
339.08713	8.3
340.09085	0.8
355.11771	3.8
383.11273	100.0
384.11627	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	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85215	0.3
69.03417	0.6
69.87090	1.3
70.06604	2.4
72.08157	0.7
73.02921	0.8
85.02901	1.0
86.09693	0.5
89.03915	0.5
97.02878	1.0
110.07168	1.6
116.07139	0.4
117.03406	0.9
119.04880	0.4
127.03911	0.7
136.06169	0.9
141.10214	0.5
145.02835	1.7
147.04411	0.7
149.05978	0.4
169.09727	0.6
177.05467	3.3
189.05339	0.5
192.04199	0.6
193.05167	0.3
201.08792	0.3
205.05019	0.5
207.06508	1.1
221.07904	1.0
221.12068	0.4
261.07498	0.7
268.16458	0.5
279.08633	1.6
291.10031	0.4
293.08276	0.4
323.09436	0.4
368.12527	0.5
383.13120	100.0
384.13522	5.7
384.18436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26262	0.5
64.09014	0.4
64.11533	0.5
67.33592	0.4
69.47010	2.6
70.06586	1.3
83.29198	0.4
84.04508	0.7
84.08107	0.5
86.09713	1.3
92.20402	0.4
97.02870	1.1
98.11835	0.4
98.97600	0.8
110.07191	3.0
111.84980	0.4
116.98624	0.9
117.03350	0.5
121.08496	0.6
145.02876	1.2
156.07704	1.1
159.04308	0.8
177.05476	2.3
185.04210	5.1
205.87389	0.5
220.11597	0.5
221.04228	3.6
221.07851	1.4
316.79001	0.5
323.06702	0.7
383.09229	17.0
383.13129	100.0
384.13611	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	383.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
56.96561	13.6
57.03436	5.4
61.02922	5.4
62.92861	1.2
69.03075	1.6
69.03432	13.4
70.06584	2.2
71.05000	1.5
71.29138	1.3
71.95290	1.5
72.08168	1.4
73.02931	2.6
74.02460	2.5
81.03406	7.1
82.02943	1.8
84.08138	1.6
85.02421	2.6
85.02913	36.0
86.09735	1.4
88.25968	1.1
91.05492	2.2
94.06576	3.9
97.02885	10.6
97.03331	1.0
98.97583	81.2
99.04481	3.0
100.81780	1.1
102.96911	1.2
103.03944	1.6
103.31866	1.2
106.06577	1.8
109.02856	2.4
110.07163	5.5
110.97578	2.9
112.99149	1.5
115.03922	1.6
115.05447	1.2
116.98626	46.9
117.05777	1.4
118.06572	6.3
119.01939	3.7
120.08146	1.7
127.03933	5.3
128.98637	3.0
130.06531	68.4
131.06918	2.6
132.04445	18.4
132.08080	5.6
134.99663	21.1
135.00613	1.9
137.05981	1.4
138.05489	1.4
142.06552	1.6
143.01883	1.6
143.07266	2.0
144.06879	1.2
144.08084	26.6
145.03482	1.5
145.05093	3.6
145.07593	20.1
145.08607	1.6
146.06007	12.5
146.99658	2.0
148.07568	4.5
153.00656	2.8
154.06567	5.6
155.06110	1.5
156.06816	1.7
156.08043	5.0
157.07610	65.0
158.06026	53.0
158.08041	2.7
158.99678	4.7
159.06450	2.2
159.09210	10.8
160.07599	2.8
161.01295	2.0
161.02917	2.5
169.07620	7.9
170.06039	4.6
170.08325	1.9
171.06825	2.0
171.09180	8.4
172.07570	11.6
174.05499	6.6
175.08687	57.3
176.07185	3.1
176.09044	3.5
177.00737	5.3
179.02173	3.0
180.08044	1.6
181.07637	5.3
182.06018	2.4
182.08421	3.6
183.09172	17.7
184.07669	2.8
184.09404	1.6
185.07098	12.5
186.05533	3.6
186.07805	2.1
187.08682	1.8
188.07132	1.6
190.08672	2.1
195.09212	2.4
196.07578	2.6
197.03218	2.0
197.07098	1.9
198.05516	3.1
199.08698	10.1
200.07063	18.5
200.08751	2.0
203.08163	100.0
204.06554	5.5
204.08496	4.2
207.09193	2.3
209.07094	8.1
209.10970	1.2
214.95505	1.7
215.08087	3.4
216.08891	2.6
216.98863	1.8
217.09727	30.7
218.10051	1.7
219.01826	3.7
221.03122	1.5
221.07050	2.7
221.09216	50.4
222.09467	2.1
227.08188	12.0
228.06604	3.6
231.07648	6.2
232.96558	1.6
234.99702	1.3
237.02861	6.7
238.08572	1.7
240.98758	3.0
245.05159	2.0
245.09253	22.4
246.09633	1.7
249.10257	1.4
255.11482	1.4
257.09384	3.1
258.99768	36.8
259.99911	2.1
263.10263	42.7
266.08273	2.1
269.09357	1.7
274.10898	1.4
275.10361	2.3
277.00827	52.0
278.01035	5.2
283.10638	1.7
287.10251	2.0
299.10342	6.4
300.10773	1.3
303.07602	3.4
309.08688	1.6
311.10239	2.2
323.06409	9.3
329.11487	2.3
330.09583	2.4
340.30740	1.2
341.07495	4.8
346.18768	1.2
347.12326	8.4
348.10748	11.7
356.97461	1.4
365.13507	26.5
366.13681	1.7
383.08432	3.6
383.14056	23.7
401.00531	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	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.1
57.82956	1.0
67.05495	4.1
69.07074	6.4
79.05479	2.2
81.07056	4.5
83.08572	1.3
91.05486	2.2
93.07057	3.1
95.08602	6.6
105.07012	3.2
107.08589	5.8
109.06544	1.2
109.10149	3.8
117.47469	1.0
119.08591	4.9
121.10155	4.5
123.11786	1.7
129.66502	1.0
131.08591	3.0
133.10133	3.6
135.11670	2.7
141.07034	1.3
145.10124	2.7
147.11786	1.1
149.13251	1.4
152.06332	1.1
157.10234	1.4
159.11658	2.1
161.13286	1.2
165.05708	1.6
165.07043	3.2
167.08575	1.9
169.06497	2.9
169.10139	1.1
178.07834	1.1
179.08566	2.6
181.06506	1.9
183.04437	2.9
183.08081	3.8
185.06090	1.4
185.13295	1.7
192.09215	1.5
193.06499	1.2
193.10278	1.1
195.08064	2.5
196.05145	2.3
197.05994	4.1
197.09689	2.5
198.06815	6.1
203.08540	1.8
207.08063	2.4
207.11769	1.3
208.08751	1.2
209.06052	2.4
210.06779	6.2
211.03830	2.5
211.07512	7.9
213.05495	5.0
217.10139	1.5
219.08086	2.3
220.08813	5.8
221.09692	2.4
223.07549	2.0
224.04779	1.5
224.08253	2.8
225.05522	4.5
225.09081	7.5
226.06267	4.8
227.07024	1.7
233.09753	1.6
234.10219	1.7
235.07478	2.0
235.11121	6.8
236.08311	1.8
237.05446	2.2
237.09148	3.0
238.06285	2.7
239.07123	4.4
240.04185	3.1
240.07726	2.5
241.04977	14.4
241.08672	2.8
242.05728	3.9
247.07594	2.6
248.08284	9.2
249.09097	6.4
250.06262	2.5
250.10028	1.8
251.03374	3.9
251.07077	3.4
251.10637	1.3
252.07857	3.4
252.11551	1.7
253.04999	3.9
253.08611	6.0
254.05740	4.9
255.06577	14.9
256.07318	20.0
261.09207	1.6
262.09927	2.4
263.07144	4.1
263.10687	13.2
264.07776	3.2
264.11057	2.3
265.08643	7.3
265.12183	1.3
266.05832	1.7
266.09250	1.9
267.06494	2.1
267.10159	3.2
267.13812	2.0
268.07312	4.0
269.04651	7.6
269.07861	8.2
270.05197	2.8
276.07608	3.1
277.08585	3.5
278.09482	5.8
279.06616	1.2
279.10220	4.5
280.10892	6.7
281.04761	2.2
281.08124	3.0
281.11349	1.6
282.05148	2.1
283.06042	24.2
283.09552	5.7
284.06750	9.2
285.07697	3.3
290.09384	1.5
291.06580	3.2
291.10214	7.1
292.07233	2.5
292.10565	2.6
293.08127	4.7
293.11761	10.6
294.12488	4.9
295.06073	3.6
295.09698	3.1
295.13077	10.5
296.06854	5.6
297.07590	10.4
298.04898	1.9
298.08359	2.2
299.05606	3.0
299.09018	1.6
300.06302	6.6
305.07977	2.0
306.08820	5.0
307.09561	7.6
308.10318	3.1
309.07425	1.4
310.08386	7.4
310.11841	1.9
311.09064	10.3
312.06189	1.7
313.07135	8.8
314.07840	100.0
315.08386	12.3
321.11230	31.2
322.11874	9.5
323.09094	7.9
323.12833	11.8
324.09644	1.7
325.14365	12.8
326.07840	2.7
327.08569	11.6
328.09399	2.3
336.13205	1.3
337.10776	1.8
338.11597	7.0
340.09552	1.4
340.19458	1.1
341.06158	1.3
341.10211	18.8
342.10516	1.4
352.13019	5.4
353.13846	91.0
354.14404	7.1
355.15543	1.5
365.28522	1.5
368.12634	2.3
383.14911	79.2
383.29248	5.3
384.15305	7.3
388.70621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11604	3.7
53.03942	7.5
55.01868	16.9
55.05517	15.9
57.03446	11.1
57.07056	4.3
61.02931	10.4
65.03944	8.1
67.05508	36.5
68.99794	5.3
69.03426	64.7
69.07082	11.9
70.21940	12.0
71.04991	20.3
73.02920	5.3
79.05494	48.5
81.03425	30.1
81.07060	76.3
83.04984	15.5
85.02914	52.5
85.06551	6.4
87.00832	23.2
87.04481	4.9
91.05486	44.5
93.07045	100.0
94.07390	3.9
95.04971	39.0
95.08608	47.3
97.02911	29.6
97.06542	12.3
103.03989	5.8
104.03646	3.7
105.01882	6.7
105.07043	74.0
107.04966	10.8
107.08604	88.4
109.02907	13.6
109.06522	19.3
109.10146	21.5
111.04434	31.3
111.08034	6.1
113.06012	5.2
115.03937	10.8
115.05460	10.8
117.07044	17.7
119.04965	5.9
119.08600	51.2
121.06516	14.8
121.10158	49.4
123.04459	12.4
123.08070	12.5
123.11714	10.3
125.06031	7.1
127.03933	14.7
128.06219	8.0
129.07001	11.1
131.08592	22.5
133.06543	7.4
133.10135	39.0
135.04367	7.2
135.07132	4.4
135.08066	14.7
135.11719	39.3
137.06007	12.6
137.09630	8.7
141.06992	6.6
142.07748	7.4
143.08568	16.7
145.06500	10.5
145.10130	34.9
147.08072	15.3
147.11710	45.7
149.09647	9.4
149.13258	9.0
151.07579	4.3
151.11172	6.2
155.08563	6.1
157.06505	6.4
157.10149	18.7
159.02869	5.1
159.08067	10.6
159.11723	27.2
161.06032	6.4
161.09612	12.3
161.13316	6.2
163.07616	4.7
163.11191	36.1
165.09045	4.6
165.12782	36.2
167.07135	4.9
167.08524	5.4
169.10059	10.5
171.11708	6.4
173.09621	10.1
173.13257	6.3
175.07405	4.4
175.11287	18.3
177.05490	11.4
177.12788	18.4
181.12323	7.2
183.08105	4.8
183.11752	6.1
185.09612	5.3
185.13237	6.3
187.07495	8.0
187.11217	8.8
189.03941	5.4
189.12776	15.1
193.12270	13.8
197.13324	5.9
200.08340	5.2
201.03908	7.5
201.12737	11.7
202.07727	6.4
203.10719	5.3
203.14352	5.4
205.08611	4.8
205.12206	4.7
213.12614	4.7
215.14334	12.7
215.17822	4.4
218.07303	5.9
219.08072	10.9
219.13853	14.3
225.12840	9.3
229.08662	5.0
230.07312	6.6
231.08115	9.8
231.13962	5.3
232.08696	5.2
233.05907	7.4
233.15454	5.8
243.13823	46.5
245.09557	4.7
247.07579	15.1
248.08374	10.1
249.09132	5.3
258.06580	4.2
259.07620	6.4
261.09189	5.4
261.14890	57.2
261.50684	4.7
262.09836	6.1
263.05490	4.3
263.10623	11.7
265.08612	5.2
276.07907	8.8
277.08734	6.1
279.10184	5.0
279.16037	11.7
290.09253	5.6
291.10101	19.9
292.07306	4.7
293.08105	9.8
307.09561	6.6
308.10507	7.4
315.08536	8.9
319.09775	10.1
321.07498	6.1
321.21466	4.1
322.11923	6.4
323.12775	13.2
337.10773	13.0
338.07751	5.4
347.14706	19.9
347.22247	4.5
351.12210	26.0
352.12787	7.3
353.10202	9.9
365.15964	21.7
368.12555	13.8
383.15094	77.3
383.20575	16.2
384.15338	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	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59568	4.6
53.03961	6.0
55.01877	9.8
55.05519	29.0
57.03440	15.4
57.07076	7.0
61.02923	8.1
67.05502	44.0
69.03436	48.6
69.07068	26.0
71.01390	4.1
71.04996	65.6
73.02954	5.4
79.05488	38.1
81.03419	21.1
81.07064	100.0
81.07529	8.6
83.04984	17.3
83.08636	11.6
85.02911	32.5
85.06567	4.6
87.04494	5.7
91.05484	35.7
93.07049	70.1
95.04973	24.7
95.08611	61.2
95.44503	4.4
96.09077	3.9
97.02906	15.8
97.06534	13.2
97.10135	4.1
99.04455	6.2
99.08100	6.9
100.11258	6.3
103.03996	8.6
103.05431	4.9
105.07037	66.8
105.07678	6.9
105.77496	3.7
106.07381	4.1
107.04962	10.4
107.08598	85.2
109.02876	4.9
109.06522	15.4
109.10152	57.6
111.04456	14.6
111.08073	9.9
115.03941	6.8
117.07063	12.7
119.08591	70.8
121.06515	17.0
121.10144	55.2
121.31000	4.4
123.04462	7.6
123.08081	16.7
123.11721	21.9
125.06036	7.2
125.09641	10.5
127.03902	5.9
127.11203	20.2
128.06276	9.2
129.05457	8.2
129.06989	15.1
130.07776	5.0
131.08586	28.2
133.06508	10.5
133.10141	53.5
135.08060	16.7
135.11700	48.4
137.06006	12.2
137.09644	16.1
137.13252	9.8
139.11194	6.1
142.07796	5.5
143.08575	24.5
144.09332	5.6
145.10139	37.2
147.08063	10.0
147.11708	38.3
149.09618	12.0
149.13312	9.4
151.11259	12.8
153.12758	21.5
155.08572	6.3
156.09396	5.1
157.10106	27.7
159.08110	9.3
159.11699	48.2
161.09656	15.7
161.13287	18.0
163.07492	6.0
163.11130	5.1
165.10674	4.6
165.12733	6.4
167.08394	4.5
169.10191	9.1
171.11737	18.2
173.09558	5.8
173.13258	15.2
175.11215	12.2
175.14886	13.8
177.12807	6.9
177.16362	5.7
183.11751	9.6
185.09624	6.0
185.13245	9.9
187.11230	6.1
187.14873	11.9
189.12805	5.9
189.16304	5.9
193.15990	11.2
195.17409	5.2
197.13197	9.4
199.07507	5.3
199.14758	6.4
201.12778	10.9
201.16431	10.7
203.14331	10.7
203.17978	11.0
205.15884	4.1
211.14835	6.0
213.12755	4.9
213.16519	5.7
215.14337	6.5
215.18158	6.0
219.17435	10.3
221.15475	9.9
221.18964	9.2
225.12839	7.3
227.17964	5.5
229.30836	6.1
245.19092	15.6
263.20081	5.4
267.68585	4.0
279.16055	4.7
293.08151	6.1
299.20270	4.5
311.20120	6.0
321.00693	4.1
329.21069	9.5
347.22214	8.7
351.12173	5.4
351.83585	4.6
365.23386	14.0
383.15002	11.3
383.24274	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01875	13.0
55.05515	23.4
57.03440	15.6
61.02930	12.3
65.03935	5.8
65.33543	3.5
67.05508	45.2
69.03434	50.3
69.07069	28.2
71.04996	50.5
71.31372	5.9
73.02891	4.4
79.05501	41.1
79.71979	3.8
81.03419	24.0
81.07060	100.0
83.04977	9.1
83.08622	9.9
85.02917	39.0
85.06539	5.3
91.05489	45.7
93.07053	60.8
95.04972	25.4
95.08617	70.9
97.02908	26.3
97.06557	8.1
97.10162	5.2
99.04471	12.2
99.08114	7.7
103.03937	8.1
105.07030	77.5
107.04948	14.8
107.08608	83.9
109.06535	18.8
109.10159	54.5
111.04458	13.6
111.08065	5.8
113.37055	4.0
117.07043	10.2
119.08595	57.4
121.06538	13.8
121.10145	51.6
122.10513	4.5
123.04433	7.5
123.08099	14.5
123.11666	19.0
125.09604	8.2
127.03936	9.7
127.11193	26.2
128.06209	8.3
129.05484	5.4
129.06990	11.0
131.08559	33.2
133.06493	9.6
133.10141	54.8
135.08046	14.6
135.11693	53.5
137.05978	11.8
137.09636	14.2
137.13197	4.2
139.07535	3.9
139.11125	3.8
141.07007	4.6
142.07779	9.1
143.08539	23.4
144.09373	5.1
145.10153	34.2
147.08072	12.1
147.11711	35.2
149.09694	6.3
149.13281	16.2
151.11203	9.0
153.12724	20.1
155.08530	4.8
157.10150	21.7
159.08070	5.6
159.11691	43.7
161.09645	11.0
161.13261	17.2
163.11203	8.9
165.09238	4.4
167.08571	4.5
169.10104	7.4
171.08006	4.5
171.11708	14.3
173.09624	6.8
173.13264	11.0
175.11223	12.2
175.14836	7.3
177.12755	7.9
177.16428	7.6
183.11717	6.7
185.13313	14.3
187.11191	6.6
187.14828	7.8
189.09135	4.9
189.12778	7.8
189.16426	5.8
193.15929	12.0
195.11761	6.8
197.13211	9.4
199.11293	5.7
201.12799	16.2
201.16443	12.2
203.17969	16.6
208.68105	3.9
213.12778	8.9
213.16277	9.2
215.17972	8.6
217.16023	4.3
219.17442	5.1
221.15414	5.6
221.18950	9.5
225.12845	5.8
225.16487	5.1
231.17525	7.3
233.19035	7.6
243.13806	5.1
245.19119	7.2
251.17657	5.1
257.19095	5.6
261.14786	5.9
275.78104	4.6
305.21124	5.1
311.20114	8.6
329.21130	11.2
347.22235	10.7
365.23383	9.7
383.14984	14.9
383.24265	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.1
53.07447	5.9
55.01861	20.0
55.05516	35.9
57.03427	13.1
59.55968	5.8
61.02916	10.9
61.80594	5.2
65.03948	7.7
67.05507	31.4
69.03431	56.4
69.07054	27.9
70.15635	19.0
71.04999	46.3
73.02908	11.3
79.05493	42.0
81.03424	38.9
81.07059	100.0
83.04972	18.1
83.08612	20.5
85.02898	57.5
85.06555	13.9
87.04464	7.4
91.05481	41.9
93.07048	77.9
95.04980	35.6
95.05522	7.7
95.08613	83.1
97.02887	39.1
97.06521	24.6
99.04500	12.2
99.08078	12.4
103.03930	11.3
103.66248	6.6
105.07032	89.5
107.04977	14.8
107.08600	76.0
109.02795	9.1
109.06524	13.2
109.10153	51.2
111.04446	15.4
111.08126	9.2
117.07024	21.6
119.08591	77.0
120.00562	5.7
121.06475	17.5
121.10138	60.6
121.42588	5.7
123.04424	11.3
123.08075	16.0
123.11702	23.3
125.09612	18.2
127.03911	11.6
127.11187	17.6
129.06985	15.0
130.79509	6.2
131.04779	6.4
131.08569	33.8
133.06508	8.9
133.10130	63.4
135.04382	6.0
135.08061	17.9
135.11705	39.3
137.05991	14.9
137.09601	15.7
139.07585	9.6
141.06984	7.0
142.07771	13.9
143.08533	25.3
145.06514	9.5
145.10127	38.1
147.11693	44.6
149.13248	16.1
151.07538	8.4
151.11171	12.3
153.12752	11.4
156.09294	10.4
157.10117	27.8
159.08054	12.4
159.11647	43.7
161.09590	12.1
161.13255	25.9
163.11194	10.1
165.12688	8.2
169.10236	9.8
171.11697	28.2
173.09552	10.1
173.13319	17.7
175.11121	7.3
175.14862	16.2
183.11722	15.9
185.13275	13.0
187.14841	11.9
189.12808	8.9
189.16406	33.7
195.11725	8.6
197.13158	8.7
199.09662	10.4
199.14702	9.4
201.12616	11.1
201.16356	25.1
203.08690	8.7
203.18031	13.0
210.14998	7.8
213.12741	6.7
219.08083	12.5
219.17424	7.0
221.15488	10.2
225.16208	8.9
227.17880	10.6
231.08009	12.5
245.18906	12.6
247.07777	9.5
248.08206	9.9
261.14740	8.6
262.57895	6.7
263.10742	8.2
263.16360	7.2
264.07700	6.7
275.07001	7.6
276.07751	7.8
277.08487	9.9
281.13611	17.5
291.10052	21.8
307.09863	6.9
308.10370	10.1
311.20215	8.1
323.12860	17.4
347.22113	12.9
351.12234	14.5
365.23355	10.5
368.12576	10.4
383.10614	10.7
383.14874	55.1
383.19965	13.4
383.24484	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.03088	0.4
55.01870	6.4
55.05509	5.1
57.03440	2.8
57.07072	1.1
67.05505	6.1
69.03428	0.8
69.06765	0.5
69.07069	4.4
71.04980	0.8
71.08633	0.7
71.30932	0.5
77.03922	0.5
79.05128	0.4
79.05498	5.1
81.07059	26.6
82.07413	0.8
83.04986	3.2
83.08610	2.5
85.06536	0.6
88.61314	0.4
91.05498	3.1
93.07054	5.2
95.04964	0.6
95.08609	5.5
97.06511	1.4
105.07026	4.2
107.08600	4.3
109.06519	10.8
109.10149	4.1
111.04445	16.5
111.08076	1.5
117.06983	0.8
119.08578	4.8
121.06544	0.8
121.10143	4.8
123.08067	2.2
123.11680	1.1
125.05992	7.0
129.07037	0.6
131.08577	2.2
133.10141	4.5
135.08046	2.6
135.11693	4.4
137.05975	100.0
137.09583	1.2
137.13232	1.6
138.06313	3.1
139.07538	0.8
143.08568	1.4
145.10123	1.9
146.07234	0.6
147.08017	1.6
147.11679	6.3
149.09621	4.0
149.13272	1.4
151.07581	3.2
151.11171	0.9
157.10107	2.4
160.08832	0.4
161.09613	6.4
161.13330	2.3
163.11177	3.6
163.14734	0.9
165.09126	2.3
165.12746	1.0
167.10663	0.6
171.11665	1.4
173.13097	0.5
175.11177	4.8
175.14781	1.2
177.09113	0.7
177.12830	0.5
179.10686	1.7
181.12326	0.7
189.12743	1.5
193.12224	1.4
203.17946	7.0
204.18300	0.6
205.19516	1.0
213.16438	2.6
221.18964	2.1
223.14758	0.6
231.17422	11.1
232.17703	0.8
235.68257	0.4
237.84154	0.4
241.15863	1.5
249.18497	12.9
250.18835	0.9
255.40956	0.5
277.17978	66.0
278.18347	5.8
295.19043	10.5
296.19507	0.8
316.06317	0.4
351.21655	3.4
383.24332	7.1
384.24768	0.6
384.30737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58638	2.4
53.03938	9.1
55.05520	14.7
55.49868	3.1
57.03429	3.2
57.07068	11.0
59.04991	4.5
65.03944	3.5
67.05502	31.5
69.03434	17.6
69.07064	7.7
69.69493	12.3
71.04991	3.5
79.05492	31.7
79.05906	3.3
81.03444	2.6
81.07046	39.5
83.04984	6.5
83.08614	7.3
85.06557	5.0
91.05478	46.3
93.07045	100.0
94.07351	3.2
95.04963	27.1
95.08607	45.0
97.06532	12.0
103.05501	3.7
105.07031	82.5
107.08598	51.2
109.06529	26.8
109.10148	22.9
111.08098	11.0
115.05417	3.4
117.07033	13.7
119.08576	60.7
121.06489	15.3
121.10149	45.7
123.08064	37.8
128.06206	10.9
129.06998	13.3
130.07791	4.9
131.08582	33.8
133.06519	10.8
133.10136	35.7
135.08051	24.8
135.11690	5.6
137.09610	11.1
141.06992	3.7
142.07776	19.3
143.08569	28.9
144.09264	3.1
145.10117	39.9
146.10553	2.9
147.08069	29.9
147.11711	15.9
149.09612	23.6
151.07556	48.1
153.09097	5.9
155.08533	10.5
156.09332	10.3
157.10117	44.1
158.35446	2.7
159.08051	6.6
159.11711	17.7
160.08823	2.7
161.09618	22.3
161.13216	9.7
163.07527	2.9
163.11183	6.1
165.09119	38.3
166.09428	3.9
169.10136	7.2
170.10884	6.4
171.11699	11.4
173.09639	9.5
173.13260	12.8
175.11183	20.1
175.14850	10.5
177.09157	10.7
181.10101	5.0
181.12328	4.1
182.10896	2.8
183.11702	7.5
185.09653	5.0
185.13272	20.4
187.11189	4.6
189.12747	12.2
191.14351	3.6
195.11728	6.6
197.13249	7.7
199.11150	3.4
201.12752	8.7
203.14301	34.0
207.13875	7.6
209.15366	3.5
211.11343	3.8
211.14926	3.0
213.12601	3.9
215.14285	8.1
216.15096	3.7
221.15370	60.0
222.15631	4.1
229.12167	2.7
231.13756	2.9
233.15379	6.1
234.16167	8.5
239.14351	3.1
239.34145	2.8
281.19165	4.0
286.19083	4.6
287.20065	11.5
299.20050	4.4
303.19510	4.3
365.24527	4.8
383.11325	14.1
383.21204	6.0
383.25745	59.3
383.30151	4.8
384.26038	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	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05508	21.2
57.07079	21.3
58.07406	2.0
59.05005	9.9
65.03934	2.7
67.05173	3.3
67.05506	38.5
69.03439	14.6
69.07063	17.7
71.04991	6.2
75.44958	2.1
79.05494	33.0
81.07060	51.1
83.04989	7.4
83.08632	6.7
84.75550	1.9
85.06538	11.5
86.09696	2.2
91.05488	45.1
93.07050	96.6
94.07367	2.6
95.04979	25.9
95.08613	61.7
97.06534	12.7
103.05499	5.0
105.07036	100.0
106.07339	13.1
107.04968	11.5
107.08604	49.3
109.06543	21.5
109.09446	2.7
109.10166	37.9
111.08076	7.9
115.05444	2.8
116.06245	2.4
117.07014	9.3
119.08583	59.1
119.09451	3.0
120.09366	3.1
121.06506	22.1
121.10148	52.1
121.11009	3.1
121.24324	1.7
122.07332	2.6
122.09689	16.5
122.10471	3.5
123.08083	31.2
123.10001	5.7
123.11674	13.8
128.06239	9.3
129.07018	11.7
130.07788	6.1
131.08575	25.5
133.06474	7.4
133.07492	2.1
133.10132	35.3
135.08063	23.2
135.11670	14.8
137.05977	3.2
137.09642	13.5
137.13293	3.8
139.07527	2.0
141.06976	4.6
142.07813	17.0
143.08583	23.8
144.09291	2.8
145.06477	3.8
145.10135	35.1
146.07275	2.7
146.10638	2.2
147.08067	27.4
147.11674	18.6
149.09630	18.9
149.13254	6.9
151.07539	36.1
151.11174	3.1
151.14842	3.0
153.09073	5.1
153.10172	2.1
155.05951	2.5
155.08560	7.0
156.09323	9.6
157.10127	38.4
158.10886	3.6
159.08047	8.1
159.11690	18.1
161.09616	23.6
161.13312	13.2
163.11227	11.3
163.14838	4.9
165.07011	2.8
165.09126	49.3
167.10667	2.1
168.09402	2.0
169.10179	10.0
170.10974	2.7
171.07990	2.9
171.11720	11.9
173.09637	10.7
173.13203	9.5
174.10358	2.3
175.11203	20.9
175.14806	12.1
177.09180	10.7
177.12790	3.4
177.16405	6.6
180.09280	2.8
181.10147	4.7
181.12357	2.2
183.11742	9.0
185.13283	16.8
186.10472	2.4
187.11105	3.8
187.14803	6.5
188.11859	3.5
189.12808	10.5
189.16422	2.8
191.14342	5.6
193.10205	3.9
193.15842	2.4
195.11655	4.8
197.13266	5.0
199.11269	3.9
199.14825	5.2
200.97690	1.9
201.12767	7.7
203.14316	38.1
205.15880	2.1
207.11897	3.2
207.13835	9.0
208.12486	2.0
209.13223	5.5
209.15189	3.9
211.14806	3.6
213.12762	4.0
213.16393	3.7
215.14345	5.0
215.17906	4.3
219.13875	3.6
221.15369	88.0
222.15796	4.4
225.12723	2.8
225.16353	3.1
227.14349	3.7
227.17982	2.5
231.13863	3.2
233.15407	3.6
234.16080	7.0
237.14738	3.0
239.18094	2.7
241.15909	2.2
243.13864	4.0
245.23001	2.0
249.16302	2.5
253.15800	3.2
261.22180	3.4
270.15012	5.6
271.15063	17.5
274.19339	2.3
281.18970	3.1
286.19257	6.0
287.20026	7.7
299.20135	7.9
303.19647	10.1
309.18445	2.8
326.21021	4.3
327.21594	20.1
347.23865	2.6
365.24985	10.5
365.32263	4.8
383.25546	53.3
383.33356	10.0
384.26074	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03952	5.9
55.01871	3.6
55.05506	19.3
57.07064	4.7
59.05010	6.0
67.05508	29.9
69.03438	14.0
69.07068	11.8
70.56293	6.5
71.05001	6.5
77.03938	3.0
79.05493	37.1
81.07066	36.4
83.04984	8.2
83.08629	5.7
85.06545	6.7
87.66282	2.7
91.05491	47.0
93.07048	100.0
94.07370	2.5
95.04972	28.8
95.08613	46.8
97.06525	16.4
103.05479	3.8
105.07036	95.5
107.08602	53.5
107.67439	2.3
109.06532	28.9
109.10169	21.4
111.08080	14.7
115.05418	3.3
116.06242	3.5
117.07022	10.6
119.08584	65.9
121.06513	15.3
121.10154	40.8
123.08072	35.2
123.11676	5.1
125.49248	2.6
128.06258	9.7
129.07014	11.3
130.07840	5.7
131.08560	29.4
133.06474	7.2
133.10120	30.7
135.08055	26.5
135.11691	4.9
137.05972	2.8
137.09610	12.6
139.11168	3.2
141.07001	5.3
142.07788	21.6
143.08586	26.0
144.09306	4.3
145.10143	39.9
147.08069	28.3
147.11722	19.5
148.08569	2.9
149.09650	25.9
151.07556	47.4
155.08554	6.0
156.09337	9.9
157.10144	47.1
159.08101	8.4
159.11670	18.4
160.08896	4.8
161.09641	23.6
161.13295	11.2
163.11182	6.1
165.07062	3.4
165.09125	43.9
167.08687	4.8
169.10120	8.1
170.10939	6.5
171.11685	11.5
171.39041	2.6
173.09608	13.3
173.13284	7.5
175.11197	21.6
175.14828	10.0
177.09126	12.8
181.10085	5.1
181.12292	4.7
182.10986	3.5
183.11734	9.0
185.09622	3.6
185.13301	25.6
187.11131	6.6
189.12737	10.5
191.10735	2.7
191.14336	4.3
193.10175	2.9
195.11690	4.8
197.13307	7.4
199.11121	5.9
201.09244	2.9
201.12753	5.1
203.14334	35.3
207.11961	2.6
207.13751	13.8
209.13405	6.1
209.15372	6.3
211.11082	2.7
211.14865	5.4
213.12790	5.1
215.14384	8.1
219.13731	3.1
221.13428	3.1
221.15363	84.8
222.15698	5.2
223.15022	3.1
225.12683	3.4
225.16376	3.2
227.14301	5.6
231.13718	4.5
233.15401	6.0
234.16228	7.6
271.16953	3.3
286.19232	7.2
287.20169	10.9
299.20135	5.3
303.19598	7.3
309.18460	4.2
324.66434	2.6
347.23953	4.3
365.24878	15.3
383.25757	64.3
383.29581	5.0
384.26291	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.26225	4.3
52.28259	4.4
53.03952	9.7
55.01872	5.5
55.05521	25.9
57.07078	14.2
59.05009	12.4
67.05511	53.9
69.03431	14.9
69.07075	25.8
69.87825	6.3
69.88168	15.2
71.04994	8.8
79.05496	39.8
81.03424	6.1
81.07059	56.3
83.05015	6.7
83.08617	16.8
85.06564	7.5
91.05486	45.7
93.07055	100.0
93.27431	4.8
95.04967	27.4
95.08620	46.7
97.06544	19.0
103.05450	5.4
105.04548	5.5
105.07047	78.3
107.05017	5.2
107.08594	45.8
109.06538	20.8
109.10166	31.5
111.08096	10.4
115.05454	5.3
117.07044	8.2
119.08580	56.6
120.82070	4.5
121.06502	16.4
121.10146	56.6
123.08062	44.0
125.06067	4.8
128.06236	10.3
129.07045	8.8
131.08611	26.5
133.10115	37.1
135.08070	19.9
135.11694	14.8
137.05969	5.1
137.09654	11.4
142.07797	22.0
143.08568	22.1
145.10138	40.9
147.08047	26.8
147.11720	22.0
149.09648	20.4
149.13255	6.3
151.07535	43.5
157.10126	43.4
159.08092	9.4
159.11714	20.5
161.09677	23.2
161.13306	10.4
163.11127	9.5
165.09137	55.8
165.64255	5.4
170.10968	8.9
171.11647	6.2
173.09714	12.1
173.11812	5.0
173.13287	7.4
175.11192	21.0
175.14845	10.2
177.09183	8.7
185.13335	21.7
187.14923	7.3
189.12752	18.4
195.11655	7.4
201.12802	5.2
203.14325	39.0
207.13824	14.1
209.13271	4.9
209.15242	5.3
215.14442	6.4
219.13832	5.7
221.15353	95.7
234.16068	7.3
277.21680	17.6
303.19516	9.0
365.24652	10.3
383.25723	62.5
384.26175	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12331	3.9
55.01866	6.8
55.05519	24.7
57.07062	16.2
61.45681	3.7
67.05507	24.8
69.03435	4.5
69.04539	4.1
69.07066	23.5
69.07835	36.4
71.05003	4.2
71.08613	6.5
75.15627	4.5
79.05489	17.0
81.07059	50.6
83.04975	12.9
83.08611	11.8
85.06541	5.8
85.55820	4.1
86.72932	4.4
91.05482	17.6
93.07053	31.1
95.04958	9.5
95.08622	39.9
97.06537	12.9
99.08075	5.1
105.07039	36.3
106.07346	11.6
107.04954	12.2
107.08595	43.2
109.06550	24.1
109.07167	4.3
109.10191	21.8
111.04452	95.0
111.08085	9.7
119.08562	11.5
121.06514	10.3
121.10152	23.0
122.09679	7.4
123.08065	31.3
123.09966	5.9
125.05993	85.6
127.07607	7.2
133.10141	14.8
135.08046	29.7
135.11700	29.6
135.35240	4.1
137.05984	100.0
137.09637	6.5
137.13234	8.8
142.06046	4.5
143.08531	5.8
145.10098	16.0
147.11653	12.3
149.09589	12.8
149.13287	6.9
151.07513	9.7
153.12744	21.9
157.10182	6.0
161.09547	6.6
161.13275	5.2
163.11179	23.7
175.11203	10.3
177.12784	7.6
179.14307	51.0
181.12230	96.0
182.12871	10.2
195.13844	33.0
203.17967	8.4
231.17461	8.7
249.18478	15.8
270.14807	10.0
271.15253	12.9
277.18011	34.0
293.21082	12.6
295.18829	9.9
314.07755	8.0
321.11353	6.3
327.21402	14.4
329.24765	6.2
347.25745	8.4
349.27402	48.0
350.28134	24.8
351.12250	5.8
353.13892	7.2
365.26743	11.5
383.14493	6.9
383.27985	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	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
53.97596	2.5
55.01864	7.8
55.05513	4.7
57.03442	6.7
59.40414	2.3
61.02921	8.9
67.05511	7.7
69.03432	44.4
69.07063	6.5
69.17376	20.2
70.06586	9.8
71.04993	10.9
72.08154	6.0
73.02917	10.8
79.05494	8.9
81.03422	20.1
81.07059	12.4
83.04979	5.4
85.02909	100.0
85.06547	3.3
86.03254	3.5
86.09708	9.4
87.00828	46.3
91.03964	3.1
91.05495	6.5
93.07033	4.2
95.08609	3.7
97.02893	43.2
97.06534	3.6
99.04459	13.6
100.62521	2.2
103.17250	2.4
105.01876	85.8
105.03381	3.9
105.07023	4.2
105.33566	2.3
109.02884	26.6
109.06525	5.2
111.08135	3.0
113.47275	2.5
116.07088	3.4
117.01900	2.7
119.08591	5.1
120.08089	2.4
121.06512	5.3
123.11742	4.3
127.03922	88.2
128.04411	2.6
129.01871	2.6
131.08633	2.7
137.05980	4.4
137.09619	2.5
141.12720	10.9
145.04961	31.3
145.10095	3.2
147.02956	2.8
153.05466	10.3
159.02911	8.7
163.11177	5.9
167.07040	8.1
171.06514	5.2
187.13309	4.4
189.04016	2.7
190.02644	2.8
195.58893	2.8
204.10374	3.0
205.12245	7.7
213.03935	3.2
222.11159	2.7
223.06001	13.9
223.13257	6.4
231.04984	39.0
239.84692	2.8
249.05983	20.7
258.07599	3.0
275.07681	17.3
293.08548	12.5
322.13043	13.4
384.10181	3.5
384.15210	4.0
385.18375	90.8
399.10922	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01861	4.7
55.05490	3.5
56.96561	1.5
57.03442	8.8
59.04991	2.1
61.02926	6.9
67.05490	2.1
69.03441	17.5
69.07052	3.2
70.06596	11.6
71.04967	2.5
71.30666	1.2
71.31059	1.7
72.08130	4.0
73.02921	32.4
79.05454	2.1
81.03394	5.9
81.07034	2.9
83.04984	1.8
84.08111	1.4
85.02905	47.6
86.09715	2.6
86.46528	1.4
87.04464	3.2
91.03941	2.3
91.05482	2.4
95.04984	1.7
97.02291	1.7
97.02894	25.0
99.04437	3.3
101.05993	2.4
105.07002	2.6
109.02832	4.9
110.07129	2.4
111.04442	1.5
115.03920	10.9
116.07073	3.2
118.06607	1.6
119.01868	1.9
120.08096	1.6
123.04367	2.0
123.08031	2.6
127.03905	14.5
133.04967	13.7
135.08047	1.7
136.06195	11.6
137.05910	4.0
138.05515	3.1
145.04953	22.3
148.06139	6.4
163.06020	13.6
163.10959	1.5
175.05916	1.5
177.05312	2.3
185.12521	1.6
187.09602	2.8
204.12241	2.1
205.12204	3.4
216.07118	5.9
220.78049	1.5
222.07449	4.1
222.13483	35.0
223.05943	2.2
223.13272	3.3
230.25098	1.3
239.81453	1.5
240.07091	2.5
241.07108	2.8
242.08540	2.7
250.10826	1.8
254.08575	3.9
258.08054	5.9
259.08157	3.9
263.35117	1.4
282.08163	3.9
286.76581	1.5
341.11920	1.8
342.10413	16.4
366.15298	5.3
367.13202	1.4
384.13083	71.7
384.17017	9.3
385.14630	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	10.3
55.05487	2.3
57.03440	15.4
59.04992	3.0
61.02930	15.9
67.05493	3.0
68.85049	1.8
69.03433	31.2
70.06591	9.8
71.01350	4.1
71.04964	4.8
71.29804	2.0
71.30204	1.9
72.08144	3.0
73.02920	74.6
74.41264	1.8
79.05511	2.7
80.15772	1.8
81.03405	6.8
84.04501	3.3
84.30627	1.9
85.02906	100.0
87.04465	5.1
91.03936	5.4
91.05486	3.5
93.07063	2.5
93.32472	1.9
95.04958	3.1
97.02890	52.2
99.04455	6.9
107.04993	2.0
109.02888	13.0
115.03915	20.7
119.04947	2.1
127.03925	27.3
133.04971	36.3
136.07629	2.1
137.05949	4.2
139.03911	2.6
145.04959	53.2
147.04417	3.4
150.07567	2.1
161.05887	3.8
163.06024	32.5
169.08597	2.3
169.13403	2.5
177.05446	2.6
187.04073	2.6
187.09656	4.5
198.12227	2.0
199.06013	2.5
203.05330	3.2
204.14674	3.2
204.52487	2.1
216.06877	2.0
217.07150	2.3
219.06429	2.7
222.07701	2.1
222.11230	2.5
223.05873	9.3
223.09477	2.3
240.07225	2.4
241.07068	5.2
258.07993	4.2
259.08072	8.0
275.09042	5.4
282.08231	3.1
290.27905	2.5
342.10391	11.6
343.10599	3.1
366.15451	6.9
384.13040	59.5
385.07040	3.1
385.14734	61.2
385.19409	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49516	7.3
56.96561	9.3
70.06591	22.2
70.45147	13.5
70.45456	10.4
73.35497	7.2
95.53738	7.4
112.08716	7.8
136.06114	9.4
160.11263	12.4
178.12358	10.5
179.06197	8.8
224.12891	12.1
385.09000	100.0
385.18369	18.1
385.25516	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	385.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.0
55.01886	1.1
55.17915	1.4
56.96564	3.0
57.03426	2.0
69.03425	4.1
69.80631	2.9
69.81034	1.5
70.06595	14.0
77.61027	1.1
81.03429	3.4
82.99831	1.3
84.08136	1.7
85.02911	8.0
86.09698	5.7
86.99374	1.9
88.02241	2.4
88.56821	1.1
95.04971	1.1
97.02908	9.7
98.97601	8.0
101.00886	28.6
105.00367	1.9
109.02879	4.2
110.07169	2.8
112.08728	1.5
113.00885	5.2
115.02427	1.4
115.08714	1.2
116.07072	2.3
116.98625	5.8
118.01051	1.3
119.01928	71.4
120.02033	3.9
127.02432	1.9
127.03907	1.6
128.98700	1.4
131.01920	18.7
132.01988	1.2
133.03546	1.7
134.02760	2.0
134.99712	1.9
136.06181	4.1
137.02974	14.7
139.02388	1.4
143.01907	24.4
145.03491	17.3
147.01410	1.4
148.00114	1.5
149.03001	1.9
155.01898	23.2
156.07610	1.3
157.03484	10.9
159.01483	1.8
161.02969	100.0
162.03099	5.6
163.04633	3.0
165.05441	1.3
166.01155	1.4
167.01924	4.6
173.02985	30.8
174.03110	1.6
175.04555	5.6
175.11877	2.2
177.05492	3.6
179.01953	3.8
179.04053	3.6
183.01402	2.1
184.02208	28.0
184.04538	2.2
185.02986	25.2
185.10260	1.2
186.03268	1.5
187.04565	5.4
191.03998	2.5
192.37143	1.3
197.02969	39.5
198.03255	4.1
199.04472	1.6
202.03210	8.2
203.04028	18.8
204.04303	1.6
207.01442	2.2
208.02176	9.9
209.02887	2.3
210.03671	1.2
213.12502	1.3
215.03993	10.4
220.02107	1.8
221.03120	2.2
221.04988	7.1
222.03786	2.7
223.04532	3.1
226.03203	12.9
227.03906	6.5
232.02211	4.5
233.05113	2.3
235.04506	2.4
237.02655	1.3
238.03239	3.4
239.04077	3.5
240.04842	4.6
241.05614	15.1
244.02144	2.3
244.04312	5.9
245.05081	71.1
246.05305	6.6
247.04634	2.9
250.03233	18.8
251.03780	2.7
252.04724	2.9
253.05615	9.2
253.16649	4.5
254.05566	1.2
260.99664	1.6
262.03177	11.2
263.06171	20.5
264.06543	2.0
265.05582	11.5
266.05817	1.9
267.07220	1.3
268.04391	2.0
274.97586	1.6
277.01041	1.9
277.05667	4.1
279.00607	1.3
283.06647	14.0
288.20444	3.1
295.06717	2.5
310.05338	48.0
311.05786	6.8
325.07733	18.5
326.07986	2.0
328.06369	2.6
343.08746	9.6
344.08853	1.8
385.09839	61.4
385.14206	2.8
385.25650	10.4
386.09924	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	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
53.63049	1.2
55.01872	5.2
56.05011	1.2
56.96562	3.9
57.77248	1.3
59.17159	1.1
60.86266	1.3
61.02925	2.1
67.05502	1.9
69.03429	3.5
70.06593	15.0
71.04984	1.5
71.30045	1.7
71.30424	1.8
72.08148	1.4
79.05497	7.8
81.03425	1.8
84.08158	1.9
85.02888	6.7
86.09703	2.4
91.05498	3.8
93.34848	1.2
95.01337	1.6
95.04960	4.6
97.02904	3.7
98.97608	7.1
103.05481	11.0
105.07034	53.3
107.04957	3.0
110.97562	1.8
112.08766	3.8
115.03923	1.4
115.05453	13.4
116.98635	4.6
117.07015	2.9
118.04180	4.4
119.05033	1.3
120.08104	2.0
123.04430	7.0
124.07533	1.8
127.03947	2.4
129.06961	2.4
131.04948	3.8
132.05672	1.5
133.06500	47.5
134.02724	1.5
134.06844	2.1
134.99643	2.1
136.06189	5.1
140.04698	3.7
143.04961	3.2
143.06058	3.9
145.06461	7.8
147.04376	2.3
147.08066	1.7
151.03922	3.3
155.06006	2.0
155.07100	2.0
155.08214	1.5
160.05199	2.3
161.05986	100.0
162.06367	5.8
162.07671	1.5
167.07045	25.3
167.08363	2.0
172.94356	3.5
173.06004	4.7
175.03900	2.4
175.06071	1.6
175.07471	3.1
183.06525	2.8
183.14984	2.5
185.06035	1.3
189.05586	2.1
190.95480	4.2
191.07047	2.9
193.08604	57.2
194.08997	3.7
201.05460	3.8
205.08658	5.8
206.11804	2.0
207.06534	8.3
213.05641	1.8
214.95264	1.5
217.08708	2.0
219.01698	1.5
219.06453	2.6
225.17059	3.2
229.04976	3.5
231.06555	5.6
231.10313	1.8
232.96512	7.4
233.04459	6.9
233.08194	5.1
237.02821	3.9
245.08040	2.6
247.06033	1.6
249.07611	2.3
250.97569	4.9
251.09189	20.6
253.07475	3.3
261.07593	12.4
263.09219	2.2
264.99002	3.6
271.03085	1.7
273.07770	1.7
275.09146	5.0
279.08514	1.9
289.07172	1.8
293.10141	3.1
301.06998	1.5
307.07953	4.3
339.89563	1.6
367.10028	2.6
385.07452	2.6
385.14984	21.0
385.25385	9.8
386.14575	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	385.1283
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
50.29532	0.3
55.01873	2.5
55.05484	0.4
57.03456	0.4
61.97020	0.3
65.03946	2.1
66.24243	0.3
67.05511	0.5
69.03420	0.6
69.15350	2.6
73.15379	0.4
75.04497	0.5
79.05506	0.8
82.04180	0.5
85.02906	0.9
91.05473	1.5
91.39439	0.4
93.03406	1.4
95.04979	1.1
100.85061	0.4
103.05457	0.8
105.03394	0.8
105.07035	0.8
107.04958	0.5
110.03657	1.5
111.04449	1.8
115.05455	0.9
117.07040	0.5
118.04182	0.4
119.08527	0.3
121.02869	1.2
121.06517	0.5
123.04430	0.5
125.05998	1.9
128.06236	0.6
129.06995	0.7
130.04100	0.3
131.04936	1.1
133.06511	0.6
134.18408	0.4
135.04419	0.5
137.02371	0.4
137.05946	0.7
139.05496	0.4
141.06967	0.5
144.05701	0.6
145.06491	1.0
147.04414	0.6
149.02367	1.2
151.03928	1.3
151.07555	0.5
152.06242	1.4
153.05486	3.0
153.06960	1.1
154.07744	0.4
155.04897	0.5
158.07266	0.8
159.08092	1.2
161.05994	1.2
165.06995	4.8
166.07777	1.4
167.07106	0.8
167.08577	1.9
168.05812	0.6
169.06453	0.9
173.05998	0.7
175.07574	0.8
177.07008	1.0
178.07817	3.4
179.03407	0.4
179.08568	3.3
180.09319	0.6
181.04973	0.8
181.06506	2.9
182.07253	1.4
183.04443	0.4
183.08087	1.3
184.05247	0.4
185.05991	0.9
187.07559	0.9
189.07005	2.1
190.07829	2.2
191.08563	3.2
192.05717	0.7
192.09299	0.6
193.04924	0.9
193.06538	1.8
194.07339	2.7
195.08015	3.3
196.05290	0.4
196.08852	0.8
197.06007	1.0
197.09673	1.1
198.06801	0.8
199.07501	0.8
202.07791	2.1
203.08566	1.9
205.06546	3.3
206.07303	2.8
207.08080	5.3
208.05241	0.8
208.08791	2.4
209.06085	1.8
209.09647	2.3
210.06815	1.7
211.07587	3.4
212.08212	0.7
213.09222	0.5
215.08704	0.7
217.06636	0.8
218.07300	3.6
219.08040	5.3
220.05252	1.1
220.08769	1.8
221.05981	3.9
221.09476	1.7
222.06758	3.3
222.10374	0.7
223.07562	4.2
223.11194	1.0
224.08337	2.8
225.09093	3.4
226.06232	1.6
226.09811	0.7
227.07091	1.0
227.10637	0.7
228.07649	0.6
230.07329	0.6
231.08206	1.8
232.08810	1.2
233.06020	1.2
233.09663	1.4
234.06729	3.3
235.07533	9.3
236.04759	0.6
236.08286	4.5
237.05492	1.5
237.09088	3.7
238.06293	1.7
238.09865	1.3
239.07043	2.8
239.10680	1.2
240.07808	1.0
241.08565	1.7
243.08041	0.5
243.10153	0.5
245.06003	0.7
246.06789	1.4
247.07558	4.3
248.08305	2.9
249.05495	2.3
249.09085	4.9
250.06253	2.1
250.09883	1.7
251.07022	6.0
251.10739	1.8
252.07826	3.8
253.08617	4.7
254.09299	2.1
255.10173	1.1
259.07510	1.2
260.08347	0.7
261.05475	0.8
261.09164	1.8
262.06274	1.2
263.07040	5.2
263.10333	0.8
264.07788	4.1
265.05548	0.5
265.08603	7.6
266.05734	0.8
266.09393	1.7
267.06558	1.8
267.10178	4.5
268.07578	0.6
268.10550	0.6
269.08133	1.2
269.11661	0.9
270.08820	0.7
271.09720	0.9
274.06308	1.0
275.07126	2.1
276.07904	1.7
277.05344	0.5
277.08582	4.1
278.06335	0.4
278.09351	2.9
279.06607	1.7
279.10178	5.7
280.07291	1.3
280.10776	1.3
281.08145	4.0
281.11359	0.7
282.08817	2.7
283.09637	2.4
289.08521	0.6
290.09393	0.4
291.06488	1.3
291.10120	1.3
292.07306	1.7
292.10593	0.6
293.08057	2.8
293.11612	0.8
294.08890	1.6
295.09628	4.2
296.10336	1.3
297.08087	0.5
297.11176	2.3
298.11926	0.6
299.09213	1.0
299.12729	0.6
305.08176	0.9
306.08868	0.5
307.09634	26.8
308.10120	2.7
309.07571	1.7
309.11258	4.2
310.08286	1.0
311.09122	1.5
311.12463	0.5
313.10855	1.6
314.11462	0.6
322.08188	0.4
323.09128	6.0
324.09769	1.5
325.10748	5.2
326.11179	0.5
327.12384	0.6
329.13895	0.8
335.09009	0.5
337.10764	2.0
338.11423	0.5
339.12320	2.9
341.10123	0.4
353.10117	1.0
355.11804	1.8
356.12173	0.4
357.13382	2.0
367.11755	1.0
370.10287	0.7
385.12814	100.0
386.13171	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	385.1281
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.02790	0.5
53.03943	0.6
55.01866	1.8
65.03939	2.0
67.05494	0.6
70.67470	1.0
70.67825	0.4
75.35398	0.4
77.33041	0.4
77.51630	0.4
79.05473	0.5
82.30709	0.5
85.02924	0.7
86.58778	0.5
91.05482	1.3
93.03412	1.0
95.04964	1.2
103.05467	0.7
105.03371	0.7
105.06999	0.6
107.04960	0.5
110.03671	2.0
111.04411	0.7
115.05445	0.9
117.07053	0.5
119.04939	0.6
121.02869	0.9
125.06020	2.2
128.06245	0.6
131.04909	1.3
133.06491	0.7
135.04402	0.6
144.05705	1.2
145.06503	1.1
149.02325	0.9
151.03905	1.0
152.06190	0.8
153.05458	3.0
153.06761	0.7
157.06468	0.6
159.08101	0.6
161.06058	1.1
163.03807	0.6
165.05597	0.8
165.06987	4.1
166.07776	1.1
167.07121	0.9
167.08495	1.0
168.05682	0.6
169.06479	0.8
173.05843	0.5
174.53821	0.5
175.07516	0.9
177.07011	0.8
178.07730	3.2
179.08577	3.3
181.05008	1.0
181.06500	2.4
182.07306	1.1
183.08096	0.9
185.06018	1.0
187.07611	1.0
189.07007	2.0
190.07820	2.3
191.08563	3.4
192.09160	0.8
193.06514	1.4
193.08530	0.5
194.07198	2.6
195.08052	2.2
196.08913	0.7
197.06027	0.7
197.09630	1.0
198.06822	0.9
199.07526	0.8
202.07767	1.1
203.08600	1.1
204.09262	0.7
205.06548	2.4
206.07263	2.8
207.06328	0.9
207.08032	4.2
208.05096	0.7
208.08806	1.7
209.06042	0.9
209.09624	1.9
210.06781	1.6
211.07558	2.9
212.08194	0.6
213.09106	1.0
215.06961	0.7
217.06299	0.6
218.07265	2.6
219.08075	4.8
220.05235	0.7
220.08720	1.9
221.06009	3.9
221.09572	2.1
222.06709	2.7
223.07561	3.2
223.11147	0.7
224.08324	2.7
225.09077	2.1
226.06123	0.9
226.09767	1.0
227.07033	1.5
230.07324	0.7
231.08075	1.9
232.08716	0.8
233.06010	1.1
233.09679	1.2
234.06833	2.9
235.07541	7.3
236.08366	3.3
237.05476	1.2
237.09087	3.2
238.06204	1.6
238.09706	0.7
239.06969	3.4
239.10637	1.0
240.07729	0.8
241.08507	1.2
246.06761	1.2
247.07541	4.0
248.08308	2.0
249.05455	2.7
249.09203	3.3
250.06218	2.2
250.09853	1.1
251.07071	4.2
251.10730	1.8
252.07840	2.5
253.08600	3.2
254.09428	1.6
255.10072	1.0
260.08185	0.8
261.05353	0.8
261.09161	1.6
262.06195	1.1
263.07047	4.2
263.09708	0.6
264.07764	5.2
265.08609	6.5
266.09271	1.7
267.06561	1.4
267.10172	4.4
268.07285	1.0
268.10733	0.7
269.08197	1.2
271.09882	0.6
274.06320	1.0
275.07062	1.7
276.07919	1.1
277.05624	0.9
277.08597	3.9
278.09387	2.5
279.06537	1.8
279.10172	4.5
280.07385	1.1
280.10562	1.1
281.08157	4.7
281.11380	0.8
282.08752	1.4
283.09753	0.6
289.08524	1.2
291.06610	0.8
291.10056	1.3
292.07367	1.4
293.08151	2.5
293.11218	0.5
294.08893	1.5
295.06332	0.8
295.09628	4.5
296.10370	0.9
297.11249	1.8
299.09058	0.7
305.08215	0.6
306.08752	0.7
307.09634	25.9
308.06793	0.6
308.10138	2.8
309.07587	1.3
309.11169	3.2
310.08350	0.8
311.09229	1.1
313.10718	1.3
319.09256	0.8
321.07712	0.6
321.11224	0.9
322.08438	0.5
323.09140	6.0
324.09979	1.1
325.10614	4.7
326.11154	0.8
329.13989	0.8
335.09119	0.8
337.10687	2.2
338.11572	0.6
339.12225	2.5
353.10239	1.1
355.11746	2.7
357.13272	2.2
367.11765	1.7
385.12811	100.0
386.13074	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	385.1281
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
50.20012	0.4
53.03941	0.5
55.01873	2.1
55.71942	0.3
57.03428	0.6
65.03936	2.8
67.05504	0.7
69.15385	2.3
71.05018	0.4
72.02937	0.3
79.05481	0.7
82.59442	0.4
85.02902	0.5
91.05483	1.4
93.03403	0.7
95.01260	0.4
95.04984	0.9
99.36894	0.4
103.05488	0.5
105.03408	0.7
105.07060	0.5
107.04975	0.8
110.03674	1.8
111.04436	1.3
115.05442	0.8
119.04941	0.6
121.02872	1.1
121.06480	0.6
123.04453	0.6
125.06001	2.0
128.06227	0.8
131.04948	0.9
133.06458	0.6
137.05943	0.5
144.05658	0.7
145.06451	1.0
147.04379	0.6
149.02342	1.2
151.03896	1.3
152.06226	1.2
153.05479	2.2
153.06949	0.8
155.08597	0.7
159.08131	0.7
161.05989	1.1
165.06993	3.6
166.07797	1.1
167.07211	0.4
167.08568	1.0
168.05727	0.8
169.06471	0.5
173.05945	0.5
174.06856	0.5
175.07585	0.5
177.06895	0.7
178.07744	2.9
179.03357	0.6
179.08519	2.9
180.09363	0.7
181.05051	0.6
181.06445	1.9
182.07253	0.8
182.11838	0.4
183.08057	1.1
185.06018	0.7
189.07019	1.5
190.07797	2.3
191.08522	2.0
192.05692	0.6
192.09277	0.5
193.06474	1.4
193.10248	0.4
194.07251	2.9
195.08044	3.0
196.05199	0.7
196.08749	0.8
197.05910	0.6
197.09715	0.9
198.06781	1.2
199.07538	0.6
202.07776	1.8
203.08572	2.2
205.06464	2.8
206.07271	2.1
207.06416	0.7
207.08067	3.4
208.05315	1.0
208.08817	1.7
209.05937	1.2
209.09613	1.5
210.06720	1.5
211.07570	3.0
212.08272	0.5
213.09169	0.7
217.06432	0.4
218.07277	2.7
219.08057	5.2
220.05270	0.6
220.08714	1.4
221.05984	3.3
221.09512	1.8
222.06708	2.6
223.07562	3.3
223.11049	0.4
224.08195	2.3
225.05324	0.4
225.09076	2.4
226.06223	0.7
226.09827	0.8
227.06889	1.1
227.10692	0.4
228.07681	0.4
231.08185	1.8
232.08739	1.0
233.06013	1.1
233.09613	1.3
234.06749	2.8
235.07518	7.8
236.04639	0.7
236.08337	3.4
237.05498	1.3
237.09099	3.3
238.06265	1.6
238.09825	1.0
239.06947	2.0
239.10645	0.9
240.07791	1.3
241.08788	0.9
245.05887	0.4
246.06699	1.2
247.07593	4.6
248.08383	2.7
249.05490	2.0
249.09087	3.9
250.06252	2.0
250.09917	1.5
251.07013	4.4
251.10732	1.6
252.07788	2.2
253.08621	3.4
254.09351	1.3
255.06445	0.5
255.10065	1.7
257.08054	0.5
259.07529	1.3
260.08124	0.5
261.05609	0.6
261.09085	1.9
262.06357	1.0
262.09976	0.5
263.07016	4.7
263.10208	0.6
264.07816	4.0
265.08588	6.4
266.05887	0.4
266.09238	1.6
267.06635	1.1
267.10159	4.5
268.07300	0.9
268.10513	0.4
269.08078	0.9
269.11591	0.7
270.08908	0.6
271.09799	0.5
274.06165	0.7
275.07068	1.6
276.07806	1.3
277.08539	3.7
278.05997	0.5
278.09351	2.9
279.06631	1.3
279.10190	5.8
280.07333	1.3
280.10593	0.6
281.08090	4.1
282.08932	1.7
283.09732	1.5
289.08591	1.0
289.71939	0.4
290.09296	0.6
291.06622	0.8
291.10043	0.8
292.07373	1.7
293.08047	1.9
293.11395	0.7
294.08856	1.8
294.11795	0.4
295.09619	4.5
296.10385	0.9
297.11136	1.8
299.09232	0.6
305.07980	0.9
306.08780	0.4
307.09628	26.8
308.10013	2.8
309.07581	1.2
309.11206	3.6
310.08322	1.2
311.09189	1.1
311.12564	0.6
313.10687	1.1
319.09482	0.6
321.07626	0.4
321.11185	0.5
323.09106	6.4
324.09845	1.4
325.10629	4.7
326.11353	0.5
327.08636	0.4
327.12335	0.4
329.14011	0.8
337.10501	2.2
338.11310	0.8
339.12222	3.0
340.09274	0.7
353.10229	1.1
355.11780	2.0
357.13223	2.8
367.11700	1.4
370.10327	0.4
385.12802	100.0
386.13126	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	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
55.01835	1.2
68.36710	0.5
70.35448	1.3
70.35780	1.0
78.04689	0.6
79.05487	2.8
85.89328	0.6
91.05478	3.2
91.05926	0.6
93.07021	1.0
103.05450	3.4
105.07038	3.5
107.04958	5.3
109.06526	0.6
115.05464	15.5
116.06261	3.0
117.06235	1.1
117.07023	19.2
118.04128	0.7
121.06478	2.3
123.04363	1.1
124.05226	0.8
127.05399	0.7
128.06180	2.7
129.07062	0.9
130.04092	1.4
131.04932	1.2
133.06525	3.3
143.04919	1.6
143.08511	1.9
144.04683	0.9
144.05708	10.4
145.06488	33.8
146.06802	1.3
147.04318	0.9
149.02306	2.4
149.06038	1.3
152.04692	0.8
152.06128	0.5
153.05450	0.6
153.06964	2.1
155.06026	9.5
156.05684	1.2
157.37268	0.6
161.05986	11.0
162.06587	0.6
165.06989	1.6
166.06308	0.7
166.07741	1.3
167.07054	24.3
167.08510	1.2
168.07378	0.8
170.07193	0.9
171.08055	2.9
172.05179	2.1
173.05983	44.2
174.06316	1.7
178.07825	1.0
179.08525	0.6
181.06454	1.7
181.08566	5.9
181.10114	1.1
189.05469	0.9
189.07021	1.8
190.06241	3.8
190.07808	1.4
191.07048	1.1
191.08571	5.8
193.04942	1.6
193.08591	3.9
194.07204	5.5
195.07875	1.2
198.06920	0.6
199.07582	4.7
205.08591	100.0
206.07187	2.1
206.08949	4.6
207.08054	3.0
209.09560	3.9
211.07573	0.7
217.08655	1.6
218.07184	2.7
219.08044	10.6
220.08443	1.1
221.06000	1.6
222.06723	6.4
223.07324	1.1
224.08304	1.5
229.07600	1.5
231.10182	11.8
233.06009	3.0
233.09615	1.4
234.06732	2.4
235.07487	3.7
236.08339	1.5
237.09096	13.5
238.09666	0.8
239.07001	1.5
246.06744	1.0
247.07475	3.5
248.08060	0.7
249.05582	1.7
250.06248	4.3
251.07050	2.3
252.07733	0.8
253.08568	1.4
254.09406	2.6
255.09976	1.0
260.08368	0.9
261.08975	0.8
263.06964	1.1
264.07819	1.7
265.08600	11.0
266.09171	1.1
267.06662	3.3
267.10144	4.9
269.08060	2.1
272.06311	0.6
278.05682	1.0
278.09262	0.7
279.06485	0.9
279.09979	1.3
281.08121	1.8
282.08853	5.2
283.09543	1.5
285.07874	1.0
289.08493	0.8
293.08096	3.8
293.11642	1.8
295.06265	0.9
295.09662	1.3
296.10318	0.9
297.11230	9.5
307.09570	0.9
309.07770	0.8
310.08371	1.4
311.09109	2.3
315.08661	2.3
321.11252	1.7
324.09860	1.4
325.10712	30.3
326.11224	3.7
329.10330	0.7
330.10956	3.0
339.12305	0.9
342.10977	0.9
343.11722	3.7
344.12427	1.5
353.13889	5.6
354.14362	1.3
357.13297	27.1
358.13736	2.2
385.16519	27.4
386.16846	2.5
398.83026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01867	1.9
55.05515	1.4
64.70747	1.1
65.03956	1.4
67.05492	1.6
69.07082	1.2
69.61158	3.2
69.61572	2.0
70.06602	2.1
78.04688	1.3
79.05497	8.7
81.07059	2.0
86.09717	1.1
91.05500	6.4
93.07037	5.0
95.08607	1.9
100.84753	1.2
103.05447	5.3
105.07047	5.9
107.04964	13.6
107.08578	1.7
111.04504	1.3
115.05460	16.6
116.06228	3.0
117.07019	23.2
119.04965	1.2
119.08580	1.8
121.06501	3.2
123.04453	1.5
124.05199	4.1
125.05995	3.2
128.06238	3.6
130.04196	1.6
131.04970	2.8
131.08557	1.7
133.06523	4.9
137.05977	2.9
143.04916	1.6
143.08588	1.7
144.05705	8.9
145.06494	38.7
145.10155	1.4
146.06793	1.9
147.04405	1.8
149.05965	2.3
151.03909	1.5
151.83929	1.0
152.04662	1.9
153.05501	2.9
153.06979	2.6
155.06033	8.7
156.05695	1.5
159.11742	1.4
161.05991	13.9
162.06602	2.0
165.06972	2.6
166.06224	1.0
166.07722	1.7
167.07053	59.2
168.05934	1.0
168.07385	2.6
170.07240	2.7
171.08075	3.3
172.05212	2.0
173.05983	47.9
174.06377	2.5
175.03867	1.7
178.07869	2.0
179.08614	2.0
181.04988	2.6
181.06424	2.5
181.08620	10.8
187.07529	1.6
189.07010	2.2
190.06274	3.2
190.07794	3.5
191.06964	1.9
191.08569	5.8
193.06741	1.3
193.08591	6.5
194.07321	7.0
195.08020	2.1
199.07513	4.1
200.08138	1.2
201.05420	2.3
203.08476	1.7
205.08598	100.0
206.07324	2.6
206.08972	4.6
207.08215	4.9
208.05188	5.8
209.09641	3.5
211.07603	1.7
216.07751	2.1
216.42781	1.0
218.07265	4.9
219.08063	11.3
220.08713	1.4
221.05940	5.6
222.06755	6.1
223.07524	2.2
224.08359	2.9
229.07718	1.7
231.10165	20.3
232.08577	1.5
233.05931	3.7
233.09624	3.2
234.06792	2.9
235.07547	6.4
236.08234	2.4
237.09094	11.6
239.07043	2.8
246.06720	1.9
247.07608	3.8
248.08315	1.7
249.05397	2.1
249.09105	1.3
250.06203	6.2
250.09996	2.3
251.07040	3.3
252.07840	2.6
253.08655	2.1
254.05807	2.5
254.09344	2.8
255.06194	1.1
255.10262	1.1
261.09161	3.7
262.09604	1.7
263.07080	4.1
264.07840	2.3
265.08597	11.6
265.11530	1.8
266.09198	2.0
267.06744	6.1
267.10040	6.6
269.08157	5.1
271.09750	2.0
277.08588	2.8
278.06226	1.0
278.09418	3.0
279.10110	2.2
281.08017	2.6
282.08871	12.7
283.09506	3.0
285.07462	1.2
289.08652	2.0
292.07437	2.5
292.10913	1.2
293.08051	6.0
293.11728	4.7
295.09647	3.1
296.10352	2.3
297.11218	8.5
298.11649	1.3
299.09155	2.5
306.08746	1.6
307.09601	4.9
310.08331	6.4
310.11545	1.3
311.09048	2.5
315.08633	14.3
315.12164	1.8
321.07809	1.2
321.11166	5.9
323.09128	5.0
324.09879	2.2
325.10736	35.1
325.14215	2.4
326.11078	2.3
327.08679	1.3
328.09482	2.7
330.11002	12.7
331.11743	2.0
339.12338	2.3
342.11005	1.5
343.11777	20.5
344.12042	2.6
353.13901	9.4
354.14484	3.0
355.11676	3.4
357.13388	24.8
358.13583	2.0
385.12570	12.0
385.16504	36.4
385.29071	8.9
386.16843	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91749	0.5
53.03938	1.0
55.01865	0.9
56.72775	0.6
61.47960	0.4
61.56971	0.4
63.51541	0.4
67.05507	0.8
69.03402	0.9
70.06579	0.7
71.58031	0.4
71.97773	0.5
77.03947	0.6
78.04700	2.1
79.05494	4.8
81.03392	0.6
81.07060	1.3
87.28992	0.4
91.05485	3.1
93.07047	0.9
95.04962	1.5
95.08607	0.6
103.05464	1.9
103.15899	0.5
105.03378	0.5
105.07043	9.4
106.04185	1.2
107.04949	7.5
109.10149	0.7
115.05453	5.3
116.06238	1.1
117.07025	5.2
118.07380	0.5
119.08574	0.8
121.06511	2.0
123.04424	5.5
123.21291	0.5
124.05230	3.3
125.05963	0.9
127.05402	0.6
128.06212	2.3
129.06995	0.9
131.04904	0.6
131.08557	0.8
133.06500	8.8
137.06009	0.9
141.06926	0.9
143.08572	2.0
144.05713	3.1
145.06499	7.7
145.10176	0.7
147.04376	0.9
149.05994	0.9
151.03908	2.0
151.07549	0.8
152.04683	1.6
152.06219	0.7
153.05524	0.7
153.06964	1.8
155.06058	3.3
156.05679	0.6
157.06471	0.6
161.05989	13.4
162.06317	1.3
167.07043	100.0
168.07336	3.1
170.07184	1.0
171.08093	2.9
171.11801	0.6
172.05222	1.2
173.05988	8.1
173.13185	0.5
174.06229	0.6
176.22893	0.5
177.05363	0.6
178.06116	0.6
179.06987	0.6
181.05006	1.2
181.06406	0.6
181.08672	5.2
183.11768	0.8
184.05208	0.9
187.07539	2.0
187.14806	0.8
188.08208	0.6
190.06210	1.6
191.06982	1.3
192.07758	0.9
193.08620	17.8
194.08919	1.0
199.07573	5.0
201.05461	0.9
203.07130	0.8
205.08603	33.6
206.08958	1.9
207.08102	1.1
213.27133	0.6
216.07869	0.7
217.08595	1.2
218.07288	1.0
218.09268	0.7
219.08191	0.8
219.10060	1.1
231.10176	13.6
232.10458	0.8
233.09604	1.1
235.07542	0.9
236.08122	0.6
237.09058	0.7
247.07574	0.7
249.09052	0.6
250.06187	0.6
250.09964	0.9
252.07631	0.7
261.09134	1.4
261.16324	0.6
263.06891	0.7
264.07785	0.6
265.08633	0.9
267.10272	0.9
275.06967	0.7
278.09451	1.1
292.07254	0.7
293.08121	0.8
293.11728	1.8
295.06079	0.5
295.09583	1.3
297.11368	0.9
307.09555	1.1
310.11969	0.7
321.11212	1.7
323.09103	1.7
325.10873	1.1
325.14264	2.6
327.12347	0.6
329.22748	0.8
339.12027	1.1
353.10095	0.7
353.13867	8.8
354.14346	1.7
355.11679	1.3
357.13358	1.6
370.13989	1.5
385.11798	3.8
385.16776	11.7
385.28952	5.5
386.16653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01869	0.9
55.05501	0.7
64.20513	0.5
66.04730	0.6
67.05499	2.5
69.29459	1.9
69.29881	1.6
70.06580	0.9
77.03918	0.7
78.04704	2.3
79.05488	8.0
81.07053	2.0
91.05466	3.7
93.07042	2.1
95.04962	2.0
95.08598	1.1
96.05758	0.8
98.23358	1.2
103.05457	3.4
105.04494	0.8
105.07028	9.4
106.04169	2.0
107.04960	11.7
107.08595	0.6
115.05453	6.0
117.07014	4.4
118.04144	0.9
121.06513	1.4
121.10028	0.6
122.03686	0.7
123.04424	7.1
124.05208	2.7
125.05972	0.7
125.09561	0.8
127.05407	0.7
128.06232	3.7
129.06979	0.7
131.04953	1.0
132.05661	0.6
133.06497	9.8
136.05083	0.5
137.05981	0.9
139.05418	0.8
139.07463	0.6
141.07030	1.8
141.86285	0.6
143.04932	0.6
143.06015	1.1
143.08562	2.1
144.05682	2.6
145.06496	7.9
149.05916	0.6
151.03893	1.8
152.04704	2.5
152.06175	1.2
153.06947	2.7
155.06046	2.5
156.05707	1.7
157.06529	0.8
160.05171	1.1
161.05974	14.6
162.06380	0.6
165.74879	0.5
166.06282	0.6
167.07039	100.0
168.07355	4.2
169.06458	1.1
170.07181	0.9
171.08043	5.1
172.05168	0.9
173.05975	6.4
174.06441	0.5
178.06219	0.6
181.05009	0.9
181.08679	4.1
184.05280	0.7
187.07530	2.0
190.06219	2.0
191.06995	1.6
192.07845	0.8
193.08612	18.6
196.72076	0.6
199.07550	6.8
201.05492	1.0
205.08601	28.9
206.08867	1.1
217.08569	1.1
218.07272	0.8
219.08046	1.0
219.10095	0.9
231.07909	1.4
231.10147	16.7
232.10577	1.2
233.09691	1.4
234.10208	0.5
235.07573	0.9
248.08240	1.0
249.09210	0.6
250.09846	1.1
259.29797	0.6
261.09064	1.6
263.07031	0.8
265.08875	0.6
273.60165	0.5
277.08737	0.7
278.09109	1.1
293.11792	2.3
295.09753	1.2
307.09506	0.9
308.06656	0.8
310.11932	0.9
321.11169	2.5
325.14307	1.9
339.12201	1.0
353.13824	9.4
354.14331	1.9
370.13916	1.4
385.16513	12.4
386.16791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.4
53.94963	1.1
55.01874	8.3
55.05514	38.3
57.03438	23.1
57.07077	3.4
59.04996	3.8
65.03936	5.0
67.05505	100.0
67.97322	1.1
68.05843	2.1
69.03426	7.2
69.07069	33.9
70.06591	3.4
71.04995	43.5
77.03893	1.6
79.05495	99.4
80.05849	3.2
81.03427	5.5
81.07058	66.9
82.07404	2.2
83.04984	15.9
83.08619	16.4
85.02910	6.6
85.06543	15.6
87.04501	1.2
89.06023	2.4
91.05482	54.9
92.05813	1.3
93.07043	73.0
94.07361	2.4
95.04983	11.9
95.08606	42.7
96.08945	1.3
97.02882	2.7
97.06532	15.7
97.10164	23.1
99.04478	2.3
99.08099	2.5
104.20535	1.2
105.04557	2.7
105.07030	31.5
106.07343	1.1
107.04972	5.0
107.08595	47.3
108.08942	2.1
109.06542	5.7
109.09440	2.6
109.10158	35.4
110.10532	1.7
111.08089	7.5
111.11729	3.0
112.75917	1.2
116.06303	1.5
117.07026	9.7
119.06066	1.8
119.08582	21.9
121.06522	5.4
121.10144	51.6
121.49908	1.1
122.10442	2.0
123.08104	7.6
123.11710	3.3
125.09630	21.6
128.06157	1.3
129.06999	1.7
130.27069	1.2
131.08571	23.5
131.09497	2.1
133.06541	1.6
133.10144	13.3
135.08076	4.7
135.11678	7.0
137.05994	2.9
137.09630	8.0
139.11172	38.1
143.08577	3.4
145.10118	15.0
147.08051	3.1
147.11714	10.5
149.09624	14.6
149.13301	1.8
151.11166	2.6
153.09109	1.9
155.10641	3.3
157.10123	3.7
159.11688	6.4
161.09624	2.5
161.13264	5.1
163.11203	3.6
165.12744	1.7
167.07114	5.7
167.10654	7.0
169.10117	1.1
169.12140	1.5
171.10226	1.7
171.11699	4.9
173.11766	4.1
173.13293	6.3
175.07478	1.2
175.11279	1.5
175.14709	1.2
181.12206	2.5
183.11694	2.9
185.11734	33.6
185.13345	2.8
186.12143	1.4
187.07724	1.3
187.13260	1.3
187.14833	1.6
189.11172	13.6
191.14302	2.6
193.12250	1.8
201.05452	3.2
203.12770	15.4
205.12276	1.4
207.15854	1.7
223.13336	1.7
227.12747	2.1
229.19536	1.3
231.10123	1.5
239.17905	5.1
239.20129	1.5
241.14224	7.8
247.20456	1.5
255.10176	1.5
257.19058	7.3
259.15405	27.2
263.20053	2.1
275.20081	29.5
276.20398	2.4
286.23654	1.1
292.25369	1.1
293.21188	9.5
349.23566	7.3
367.24774	14.1
368.25223	2.4
385.12582	2.9
385.17740	3.3
385.25812	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
51.05325	1.1
53.03952	9.3
55.01875	8.8
55.05515	34.4
57.03431	15.5
57.07068	1.9
59.05000	2.5
64.58572	1.2
65.03937	6.2
67.05505	75.7
68.05851	1.5
69.03439	7.8
69.07069	30.9
69.46412	1.1
69.62018	1.2
69.82326	4.0
71.04993	19.7
73.02886	1.9
73.06532	1.3
77.03918	1.8
79.05494	100.0
80.02665	1.4
80.05824	2.8
80.95045	1.8
81.03420	5.3
81.07059	65.6
82.07394	1.7
83.04981	16.3
83.08623	11.1
85.02911	5.3
85.06551	4.3
91.05482	64.9
92.05817	2.0
93.07047	80.7
94.07372	2.1
94.10505	1.3
95.04979	14.8
95.08605	38.5
96.08962	1.3
97.02893	2.6
97.06535	15.2
97.10172	13.7
99.04448	1.3
99.08064	1.5
101.05975	1.4
103.05479	1.5
103.47152	1.3
105.04527	4.6
105.07031	40.9
106.07388	1.3
107.04971	4.7
107.07861	2.1
107.08593	41.7
109.06512	8.4
109.10162	23.3
111.04434	2.2
111.08088	5.6
111.11696	1.7
113.06030	2.5
117.07023	13.9
119.06124	2.3
119.08577	25.8
120.08904	1.2
121.06509	3.9
121.10139	28.8
122.10430	1.5
123.04408	1.3
123.08072	6.0
123.11712	4.1
125.09631	10.4
127.03959	1.4
128.06236	1.9
129.06987	6.8
131.08559	20.3
133.06517	2.7
133.10138	20.2
135.08064	4.4
135.11696	6.2
137.05974	3.5
137.09621	3.6
137.13231	2.5
138.03096	1.3
139.07521	2.5
139.11174	16.0
139.12032	1.5
142.07834	1.3
143.08598	3.9
145.06529	1.7
145.10118	13.8
147.07979	2.0
147.11697	16.4
148.12135	1.7
149.09639	4.7
149.13268	2.1
151.07590	1.8
153.05482	1.9
153.12851	1.3
155.08580	2.2
155.10683	1.8
157.10135	5.8
159.11720	6.3
161.13261	4.1
163.11227	4.0
165.12820	3.9
167.07036	4.2
167.10722	1.9
171.11707	5.3
173.09561	1.5
173.11725	7.4
173.13286	5.0
175.11226	5.0
177.12784	2.5
181.04964	2.1
183.11696	3.5
185.11787	1.4
185.13339	2.1
187.14861	1.7
189.09251	1.7
189.11230	5.9
189.12665	3.0
193.12184	6.1
197.13281	2.7
198.44157	1.4
199.11127	1.5
201.05548	2.3
203.12787	9.0
207.08090	1.5
217.12312	4.5
221.15353	3.1
235.07506	2.4
239.17999	2.7
252.07925	2.8
257.18982	2.2
263.20175	1.4
267.10254	1.9
275.20084	18.7
276.20520	1.9
293.21063	1.9
295.09497	1.8
323.09308	2.0
339.26648	1.4
349.23779	4.3
355.11691	2.7
357.13309	2.2
367.24747	7.6
385.12503	7.5
385.25616	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01873	4.9
55.05507	15.2
57.03423	1.8
57.07074	6.0
59.04998	3.9
65.03947	4.2
67.05508	24.8
69.03435	8.5
69.07076	10.9
69.28300	13.5
71.04980	2.6
71.08648	10.4
79.05498	23.0
81.07059	29.6
83.04979	5.9
83.08620	3.6
85.06542	10.3
87.04483	1.9
91.05469	20.2
93.07053	32.6
95.04967	15.9
95.08606	25.9
96.05760	3.6
97.02905	14.4
97.06542	9.7
98.22613	3.8
99.08096	6.5
105.07033	17.5
107.04958	3.5
107.08597	15.7
109.06523	20.7
109.10166	11.1
110.07346	2.0
111.04434	14.1
111.08068	2.6
113.06006	4.4
117.07011	4.1
119.08596	15.7
121.06516	19.9
121.10140	17.6
123.04443	11.3
123.08102	8.5
123.11707	4.9
124.05215	4.5
126.72124	1.9
127.07570	1.9
129.07034	3.9
131.08566	16.9
133.10146	8.2
135.08076	7.2
135.11707	3.0
137.06001	3.8
137.09625	7.8
139.11208	3.9
143.08560	6.3
145.10149	7.6
147.08067	4.0
147.11681	4.1
149.09633	11.9
151.11208	5.4
157.10098	2.9
159.11697	2.9
161.09639	3.3
161.13254	4.1
163.11157	4.3
165.09013	2.1
165.12775	14.6
167.10670	3.1
169.10054	2.8
171.11707	2.7
173.13257	3.5
175.11273	2.7
177.12794	3.3
179.08534	1.7
181.12234	100.0
182.12587	4.8
189.12752	2.9
191.14320	2.9
193.12379	2.9
203.14241	2.4
207.13701	2.5
213.12679	2.8
233.15411	2.4
263.16440	3.8
277.21585	3.6
289.21713	12.6
293.99463	1.8
305.21170	18.1
351.20877	2.8
351.25275	51.5
352.25958	4.5
385.27399	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	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
51.05325	1.1
53.03952	9.3
55.01875	8.8
55.05515	34.4
57.03431	15.5
57.07068	1.9
59.05000	2.5
64.58572	1.2
65.03937	6.2
67.05505	75.7
68.05851	1.5
69.03439	7.8
69.07069	30.9
69.46412	1.1
69.62018	1.2
69.82326	4.0
71.04993	19.7
73.02886	1.9
73.06532	1.3
77.03918	1.8
79.05494	100.0
80.02665	1.4
80.05824	2.8
80.95045	1.8
81.03420	5.3
81.07059	65.6
82.07394	1.7
83.04981	16.3
83.08623	11.1
85.02911	5.3
85.06551	4.3
91.05482	64.9
92.05817	2.0
93.07047	80.7
94.07372	2.1
94.10505	1.3
95.04979	14.8
95.08605	38.5
96.08962	1.3
97.02893	2.6
97.06535	15.2
97.10172	13.7
99.04448	1.3
99.08064	1.5
101.05975	1.4
103.05479	1.5
103.47152	1.3
105.04527	4.6
105.07031	40.9
106.07388	1.3
107.04971	4.7
107.07861	2.1
107.08593	41.7
109.06512	8.4
109.10162	23.3
111.04434	2.2
111.08088	5.6
111.11696	1.7
113.06030	2.5
117.07023	13.9
119.06124	2.3
119.08577	25.8
120.08904	1.2
121.06509	3.9
121.10139	28.8
122.10430	1.5
123.04408	1.3
123.08072	6.0
123.11712	4.1
125.09631	10.4
127.03959	1.4
128.06236	1.9
129.06987	6.8
131.08559	20.3
133.06517	2.7
133.10138	20.2
135.08064	4.4
135.11696	6.2
137.05974	3.5
137.09621	3.6
137.13231	2.5
138.03096	1.3
139.07521	2.5
139.11174	16.0
139.12032	1.5
142.07834	1.3
143.08598	3.9
145.06529	1.7
145.10118	13.8
147.07979	2.0
147.11697	16.4
148.12135	1.7
149.09639	4.7
149.13268	2.1
151.07590	1.8
153.05482	1.9
153.12851	1.3
155.08580	2.2
155.10683	1.8
157.10135	5.8
159.11720	6.3
161.13261	4.1
163.11227	4.0
165.12820	3.9
167.07036	4.2
167.10722	1.9
171.11707	5.3
173.09561	1.5
173.11725	7.4
173.13286	5.0
175.11226	5.0
177.12784	2.5
181.04964	2.1
183.11696	3.5
185.11787	1.4
185.13339	2.1
187.14861	1.7
189.09251	1.7
189.11230	5.9
189.12665	3.0
193.12184	6.1
197.13281	2.7
198.44157	1.4
199.11127	1.5
201.05548	2.3
203.12787	9.0
207.08090	1.5
217.12312	4.5
221.15353	3.1
235.07506	2.4
239.17999	2.7
252.07925	2.8
257.18982	2.2
263.20175	1.4
267.10254	1.9
275.20084	18.7
276.20520	1.9
293.21063	1.9
295.09497	1.8
323.09308	2.0
339.26648	1.4
349.23779	4.3
355.11691	2.7
357.13309	2.2
367.24747	7.6
385.12503	7.5
385.25616	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	385.3102
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
55.05514	28.7
57.07081	10.3
67.05498	38.7
69.07073	93.0
69.24688	6.6
69.25086	40.8
71.04996	11.7
79.05497	16.5
81.07058	51.6
83.08646	14.6
83.90832	4.5
85.06552	55.5
89.23664	4.5
91.05497	11.2
93.07056	42.1
95.08607	78.9
95.59364	5.9
97.10196	6.0
99.08079	6.8
105.07049	51.4
107.08626	61.2
108.45942	5.0
109.06527	7.3
109.10166	83.5
111.11748	20.1
113.09652	30.2
117.07076	6.7
119.08588	59.6
121.10135	60.9
123.08121	9.0
123.11711	23.4
127.11250	11.7
131.08583	10.5
133.10146	45.5
135.08096	11.0
135.11702	24.1
137.13216	9.2
139.11182	8.8
142.07819	6.1
145.10135	28.1
147.11711	46.6
149.13313	6.1
156.09447	5.5
157.10101	13.0
159.11668	29.8
161.13277	22.2
163.11290	5.5
163.14862	10.2
171.11679	14.0
173.13275	19.7
175.14883	16.7
177.12897	5.1
177.16397	13.6
183.11816	7.2
185.13451	6.6
187.14882	17.3
189.16385	30.7
191.17915	14.2
199.14896	17.6
201.16354	13.1
203.14487	5.2
203.18083	9.3
205.15903	8.9
211.81842	5.7
215.17996	18.5
217.15964	12.6
217.19550	64.1
229.19460	11.5
231.17560	7.5
233.19038	8.8
239.17842	7.4
243.21027	5.8
245.18962	6.6
257.18976	27.8
257.22662	20.7
259.20584	18.4
273.22308	9.0
275.20099	30.7
289.21606	7.3
309.25748	10.0
327.27094	5.8
367.29913	34.2
370.12286	6.9
384.13602	7.9
385.14539	45.6
385.31168	100.0
386.15237	16.1
386.31247	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	385.3102
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
50.62432	0.8
51.02342	0.7
53.03939	1.9
54.31828	0.6
55.01871	1.3
55.05513	14.1
57.07075	4.9
65.03959	1.2
67.05506	21.8
68.85003	0.6
69.07072	21.7
69.10445	1.3
69.10857	4.1
70.23520	0.6
71.04994	2.5
71.08634	1.9
79.05495	13.6
81.07060	46.1
82.07398	1.6
83.04976	1.9
83.08624	9.5
85.06542	10.1
91.05480	12.5
92.05796	0.8
93.07049	40.3
94.07357	1.4
95.04979	2.4
95.08610	82.8
96.08942	2.6
97.06542	1.5
97.10168	5.4
99.04488	4.4
101.06020	2.4
105.06505	0.5
105.07028	24.1
107.08599	44.9
108.08946	1.5
109.06538	3.6
109.10159	39.4
110.10497	2.0
111.08078	1.0
111.11678	1.6
113.06024	1.1
113.83222	0.8
115.05442	1.2
117.07018	5.5
119.08589	29.6
119.09446	1.5
121.06497	0.8
121.10148	52.5
122.10467	1.3
123.08086	1.7
123.11708	17.2
123.12563	1.4
127.07556	6.0
129.07034	1.0
131.08557	14.3
133.10132	25.2
134.10535	0.7
135.08145	1.1
135.11694	43.1
136.12042	1.2
137.09619	18.6
137.13248	9.8
138.13643	0.7
139.11185	2.2
141.09178	1.3
143.08578	2.6
144.09308	1.2
145.10120	22.0
146.10533	0.9
147.07986	0.7
147.11682	19.9
149.09631	1.1
149.13252	19.9
150.13560	0.9
151.14809	1.7
153.09132	1.2
155.10661	8.5
157.10144	3.1
158.10861	1.3
159.11696	24.0
160.12119	1.6
161.13255	14.9
163.11195	3.3
163.14839	5.0
167.10631	1.1
171.11696	3.7
172.12447	0.9
173.13263	15.3
174.13710	1.0
175.11290	1.1
175.14832	16.5
176.15189	0.9
177.12794	2.8
177.16383	3.3
181.12254	3.1
183.11684	1.1
185.13199	4.9
186.14064	1.4
187.11250	0.9
187.14813	16.3
187.16367	1.2
188.15480	0.9
189.16402	15.3
190.16861	1.2
191.17950	50.4
192.18228	4.1
193.12354	1.4
195.13805	3.9
197.13223	1.2
199.14861	3.2
201.16370	11.8
202.16876	1.1
203.17941	7.9
207.13934	1.0
209.15370	1.6
213.16406	2.6
214.17131	2.1
215.17963	11.2
216.18269	1.3
217.19519	4.4
219.13902	1.0
223.19777	0.8
225.16531	1.1
227.17889	1.0
228.18655	1.9
229.19513	21.1
230.19974	2.6
231.21077	38.5
232.21449	2.2
235.16974	2.7
241.19511	1.3
243.21150	2.2
245.22585	0.8
247.16960	1.4
249.18550	2.6
257.22650	39.4
258.22961	4.5
259.24167	2.8
261.18436	2.3
263.19995	1.6
271.24194	16.1
272.24530	1.9
275.19958	1.8
285.25854	1.0
287.20044	1.2
289.21652	2.2
297.22247	1.1
301.21579	1.4
303.23300	1.5
315.23160	3.7
325.25204	1.4
329.24838	3.5
343.26303	4.7
367.29990	1.2
385.31009	100.0
386.31415	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3102
Annotation	SESQUICANNABIGEROL
Peak:m/z	Relative Intensity
53.03946	1.8
55.01872	1.8
55.05512	14.9
57.07077	5.0
59.04993	2.3
65.03930	1.5
67.05508	26.7
69.03432	4.6
69.07072	23.9
69.72324	4.0
71.04993	3.4
71.08625	1.3
77.03915	1.3
79.05492	14.3
79.05953	1.0
81.07061	47.2
82.07403	1.2
83.04971	1.5
83.08614	8.5
85.02906	1.6
85.06545	14.7
91.05482	15.9
93.07047	43.9
95.04967	3.0
95.08608	90.3
96.08939	2.3
97.06550	4.0
97.10162	6.1
99.04471	7.1
101.06015	3.2
105.07034	31.3
106.07339	1.1
107.08595	48.7
108.08938	2.0
109.06541	5.0
109.10159	44.7
110.10532	2.0
111.08066	1.6
111.11723	1.9
117.07008	8.6
119.06126	1.0
119.08585	35.6
121.06505	1.5
121.10145	57.2
122.10493	1.3
123.08071	3.4
123.11703	17.4
127.07574	5.9
129.06999	1.6
130.07761	0.9
131.08568	16.1
131.20082	0.9
133.10132	24.8
135.08058	4.6
135.11696	45.4
136.12012	1.7
137.09619	16.3
137.13243	8.4
139.07510	1.1
139.11160	1.6
141.09145	1.6
143.08575	3.1
144.09312	2.2
145.10124	23.8
147.08017	1.1
147.11694	21.3
148.12123	1.0
149.09674	1.1
149.13258	19.2
151.07529	1.7
151.11169	1.6
151.14824	1.9
152.69136	0.8
153.09074	1.2
155.10654	12.5
156.09375	0.9
156.11104	0.8
157.10155	3.5
157.12183	0.9
158.10892	1.3
159.11700	23.1
160.12219	1.2
161.13252	15.6
163.11165	3.8
163.14822	6.8
167.10645	1.6
169.10133	2.1
171.11656	3.8
172.12471	1.3
173.13264	16.7
175.11249	1.7
175.14813	12.5
177.09100	9.7
177.12706	3.9
177.16368	4.0
179.10788	0.8
181.12286	3.1
185.13301	3.9
186.14015	2.2
187.11172	1.1
187.14821	15.7
188.15219	1.4
189.12721	1.7
189.16388	14.8
191.10693	0.9
191.17946	57.5
192.18294	3.7
193.12204	1.5
195.13792	4.2
199.14828	3.7
201.16388	10.0
203.17978	6.5
205.12175	1.6
205.19614	1.0
207.13800	1.8
209.13364	1.1
209.15367	2.1
213.16367	3.9
214.17137	2.8
215.17943	8.1
217.19492	5.4
221.15559	1.2
222.77206	0.8
227.17978	2.0
228.18726	1.6
229.15918	1.5
229.19524	20.2
230.19876	1.2
231.21083	37.2
232.21448	3.1
233.15483	1.0
235.16997	1.7
241.19496	1.6
243.21135	2.4
245.22672	1.0
247.16928	1.6
249.18579	2.5
257.22650	36.9
258.23090	3.5
259.24301	2.2
261.18481	1.8
263.20032	1.4
271.24237	15.4
272.24442	1.4
275.20203	1.7
289.21530	1.7
301.21667	1.6
303.23163	2.0
315.23221	3.6
325.25092	1.5
329.24799	2.8
343.26324	2.8
349.29059	1.1
367.30145	2.0
385.11795	6.3
385.31012	100.0
386.31390	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	385.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01879	2.7
55.05515	75.0
57.03442	29.9
57.07081	71.5
59.05008	2.3
67.05512	29.9
69.03431	2.1
69.07075	100.0
69.33057	7.6
69.33469	2.7
70.07418	2.8
70.63995	1.4
71.05013	2.7
71.08636	35.7
73.06568	2.7
73.78883	1.4
75.04506	2.9
79.05503	15.3
81.07066	44.6
83.05006	3.3
83.08627	59.5
84.08967	2.2
85.06565	6.9
85.10183	19.7
91.05511	5.3
93.07049	22.5
93.97183	1.4
94.07412	2.0
95.08613	43.8
97.06535	16.1
97.10172	40.5
97.10757	2.7
99.08153	2.2
100.49728	1.6
101.06046	1.6
105.07059	5.4
107.08592	22.4
109.10165	21.5
111.08101	8.9
111.11729	12.1
115.07561	1.9
119.08624	6.2
121.10151	23.2
123.08095	2.3
123.11702	12.9
125.09657	9.1
125.13235	3.7
127.11235	2.2
129.09161	3.5
131.08609	2.3
133.10143	3.5
135.11705	19.9
137.13261	4.1
139.11159	8.7
143.10681	2.0
145.10172	2.7
147.11684	2.9
147.77223	1.9
149.13254	14.7
151.14830	2.1
153.12801	7.6
159.11755	3.6
163.14771	8.7
167.14374	5.0
173.13309	2.0
177.16402	4.0
181.15923	5.5
187.14883	2.0
191.18028	5.4
195.17545	2.7
203.18071	1.5
205.19576	2.8
219.21121	2.7
227.17661	1.8
275.27496	7.2
293.28394	16.4
338.62921	1.5
351.00949	1.9
367.32159	12.9
368.32349	2.0
385.33252	82.0
386.33636	7.4
386.39832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51431	0.8
56.96569	13.0
69.03429	1.3
69.27651	0.9
70.06588	2.1
80.51971	0.7
82.19952	0.8
83.04965	0.8
84.08132	1.5
84.96009	1.2
85.02911	2.8
86.09702	0.9
97.02905	1.1
98.97590	23.0
101.20853	0.8
110.97562	1.4
116.12475	0.8
116.98630	12.9
128.98567	0.9
130.93279	1.7
134.64124	0.8
134.99670	4.2
136.06262	1.8
138.02342	1.8
142.01787	1.9
146.99673	1.1
156.03333	47.5
160.02792	1.0
161.02983	0.8
168.03323	8.5
170.99739	0.8
172.94328	10.4
174.04401	57.9
175.04742	1.8
186.04393	34.8
190.95413	10.7
192.05460	10.0
197.05978	1.3
198.04515	1.8
204.03532	1.5
204.05455	27.0
205.05785	1.0
208.96465	3.9
214.95407	3.7
219.01805	1.0
221.05045	0.8
222.06622	1.3
224.11356	3.3
232.96454	9.8
237.02802	2.1
245.08025	1.1
250.97520	5.9
254.00110	1.2
256.96497	2.6
257.99518	1.3
260.95911	1.0
272.01190	2.1
274.97522	9.0
284.01138	2.3
284.99609	1.2
292.54797	0.9
292.98514	5.0
293.99588	3.6
296.01157	11.4
300.00720	2.2
302.02197	2.4
312.00696	3.8
314.02249	38.0
315.02441	1.8
318.01660	1.9
326.02258	91.4
327.02576	4.6
332.03333	14.5
340.92108	0.8
344.03314	100.0
345.03513	4.9
352.96219	0.9
362.04288	4.2
367.04883	3.4
387.16425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01855	0.9
56.96570	0.6
57.03427	1.5
57.92561	0.4
58.06590	1.7
60.04526	0.5
61.02919	2.1
62.06087	0.5
69.03429	5.9
69.94283	1.6
70.06583	1.9
71.05009	0.7
71.53268	0.4
72.08159	0.6
73.02897	1.3
79.05486	1.6
81.03410	3.2
85.02910	15.5
87.04497	1.0
91.03954	1.0
91.05477	3.5
92.98438	0.4
95.04951	0.4
97.02895	5.7
98.11280	0.4
99.04467	0.7
99.06841	0.7
103.05470	5.5
105.07030	16.8
107.04945	1.7
107.08607	0.5
109.02844	1.5
112.08693	0.4
117.07010	0.4
118.06524	6.2
118.97514	0.4
119.07385	0.7
120.08103	12.3
121.08495	0.7
127.03920	3.1
127.91038	0.5
128.06285	2.3
130.06532	1.5
131.04919	1.8
131.07263	1.1
131.08498	0.6
132.08051	0.7
134.95201	0.5
138.09196	0.6
143.08571	2.4
145.04945	1.6
151.07539	0.5
160.11217	58.4
161.11609	2.8
178.12270	54.6
179.12712	2.6
206.11778	10.9
211.59691	0.5
224.12814	100.0
225.13109	5.5
239.55115	0.5
248.12857	1.2
263.09030	1.4
298.49265	0.6
342.09607	0.7
343.13571	0.8
350.15994	1.4
360.10739	0.8
386.18683	4.7
386.25943	1.0
387.12231	1.8
387.16537	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	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57108	2.6
53.03947	4.9
55.01886	4.5
57.03434	6.3
61.02919	9.7
65.03947	2.9
67.05508	5.8
69.03430	19.8
69.07072	3.6
69.31420	18.8
71.05011	3.5
72.08163	2.9
73.02892	3.6
79.05495	39.1
79.36001	2.7
81.03419	7.9
81.07061	6.9
83.08614	3.4
85.02905	90.1
85.06543	31.0
87.04457	3.2
91.03962	5.7
91.05506	5.5
93.07034	4.1
94.76778	2.9
95.04964	6.7
95.08611	4.8
97.02874	20.1
98.23338	5.3
99.04464	5.4
103.05477	7.1
105.03407	46.0
109.02903	6.8
109.06496	3.0
109.10146	3.0
117.67666	2.9
122.03642	7.8
123.04430	100.0
127.03905	19.7
131.04950	10.2
137.05986	71.2
137.07036	4.3
145.04968	37.7
149.06064	2.9
151.03903	16.5
163.06013	7.9
163.07523	8.5
167.07037	29.1
173.05963	7.6
177.05486	3.1
181.04987	17.6
189.09117	11.4
191.07051	22.3
206.15398	3.3
224.16560	6.6
325.10788	3.5
339.76172	3.0
357.13251	7.9
386.12924	3.2
387.14337	21.4
398.95258	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	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.2
57.03443	20.1
61.02940	13.7
69.03431	32.9
70.24666	6.3
70.25027	2.8
71.01353	2.7
71.04964	2.9
73.02919	71.9
81.03429	7.3
83.04964	2.5
85.02908	100.0
86.03227	2.1
86.16407	1.9
87.04462	5.7
91.03957	4.3
93.07015	2.2
95.04984	13.6
97.02900	52.6
99.04454	6.8
105.07051	2.1
109.02882	6.5
114.83347	2.4
115.03929	24.9
127.03916	28.2
133.04958	36.4
142.73718	2.1
145.04959	59.8
153.09184	3.5
163.06029	29.8
169.97395	2.1
210.95276	2.4
212.02394	2.3
223.05978	6.5
237.13362	2.8
241.07036	6.1
259.08173	7.0
343.13644	6.7
387.12274	20.0
387.16476	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55859	1.4
53.01613	1.5
54.39805	1.7
55.01866	5.9
57.03445	15.9
61.02927	15.3
69.03429	28.0
69.76348	8.7
69.76720	3.0
71.01362	4.9
71.04973	2.0
73.02921	73.9
81.03427	5.8
83.33983	1.5
85.02910	100.0
87.04468	4.5
91.03970	6.2
97.02897	54.8
99.04453	4.3
103.03942	4.7
109.02875	9.4
115.03944	23.8
121.35729	1.4
127.03927	32.5
127.10233	1.5
133.04980	37.0
145.04968	56.0
162.70276	1.7
163.06017	29.2
167.03516	1.6
223.06065	4.5
237.13351	2.0
241.07071	6.0
250.59477	1.7
259.08212	5.7
295.10342	2.1
383.00333	1.5
387.16245	5.4
396.94968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.9
55.01865	2.1
55.05515	11.8
57.03437	1.8
57.07079	17.9
61.01143	2.5
64.44361	2.0
67.05499	7.7
69.03426	8.3
69.07045	3.0
69.36241	10.9
69.56803	1.9
70.06252	3.2
70.06597	40.4
71.04994	2.9
72.08150	3.0
73.06561	2.5
79.05493	4.9
81.03430	3.2
81.07054	5.6
82.07420	2.2
83.08617	6.1
84.08133	6.3
85.02908	18.7
86.09668	2.3
89.06033	81.9
91.05484	4.6
93.05777	2.6
93.07045	6.0
95.04951	2.9
95.08617	5.6
97.02886	6.3
97.06536	1.9
98.23402	3.9
101.09660	13.4
103.05466	2.6
105.07044	5.2
107.04931	2.6
107.07051	4.3
108.08119	6.2
108.53538	2.0
109.02907	2.8
109.06472	2.8
109.10156	2.3
111.23739	2.0
116.07104	5.5
117.06997	2.5
118.06883	6.1
119.08556	3.8
121.10133	3.4
123.04425	1.9
127.03961	3.3
130.06490	4.4
131.04936	2.2
132.08098	2.5
133.08621	26.5
136.07584	16.3
137.05959	18.5
144.04501	2.4
145.04974	3.1
145.10115	3.7
145.12241	16.8
149.06015	3.5
151.03908	6.9
151.09659	35.9
159.09216	3.9
167.07065	8.4
172.03981	8.6
177.05453	3.0
181.04950	6.9
183.11713	2.1
191.06929	2.8
204.06567	8.7
207.15921	100.0
208.16333	5.0
301.50171	1.7
314.68356	2.9
337.10556	2.1
355.12354	2.3
357.13562	1.8
383.52414	1.8
387.14471	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	386.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
57.07084	10.1
58.06609	5.4
60.45430	0.6
64.34133	0.5
67.05512	1.0
69.00809	1.3
69.01224	4.0
69.07081	2.0
71.08642	4.3
72.08162	17.1
73.08434	0.6
73.10069	0.6
79.05508	0.6
81.07067	1.9
85.10213	0.7
91.05492	1.1
93.07060	1.9
95.08612	2.4
100.20356	0.5
104.36812	0.6
105.07047	1.6
107.08581	1.3
109.10177	1.4
110.41127	0.5
119.08578	1.5
121.10159	1.3
123.08043	0.6
123.11725	1.0
123.27748	0.5
123.80762	0.5
131.08614	1.0
133.10147	1.2
135.11736	0.7
137.09616	0.6
145.10155	0.9
147.11700	0.6
149.13309	0.9
153.90210	0.5
156.17502	8.3
159.11745	0.8
170.19060	2.8
212.23766	6.4
218.21205	1.0
226.25354	2.1
274.27716	0.6
308.09677	0.5
313.68893	0.6
324.36267	26.6
325.36655	2.2
354.14029	0.6
356.15826	1.1
386.17075	1.1
386.39948	100.0
387.25229	1.2
387.40237	10.2
398.71136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	2.1
55.05505	1.8
57.03429	1.5
60.24511	0.6
60.75154	0.6
61.02934	2.0
62.69491	0.6
67.05499	1.9
69.03426	4.8
69.07078	3.6
69.95249	0.6
70.06594	5.5
70.55791	1.4
71.04982	2.6
72.08148	2.7
73.02934	4.2
74.03252	0.7
74.86665	0.7
79.05490	2.8
81.03410	1.8
81.07072	3.9
83.04966	2.7
84.08140	1.7
85.02913	10.1
86.03233	1.3
86.09704	4.7
91.05477	2.7
93.07056	5.6
95.04356	1.2
95.04972	25.4
95.08571	2.1
97.02911	5.2
97.06520	1.6
98.06107	0.8
99.04472	4.1
101.02373	1.2
105.07026	4.6
107.08592	2.0
109.02882	1.2
109.06506	2.5
111.08128	0.7
112.08719	1.1
116.04299	0.7
116.07089	2.6
117.06980	1.2
119.08550	2.8
121.06467	1.1
121.10136	2.6
123.08137	0.8
125.06021	0.7
127.03922	2.4
128.04260	0.9
129.10249	1.2
131.08566	2.7
133.04924	1.2
133.10130	1.2
135.08046	0.9
136.07596	1.2
137.05992	3.4
139.07317	3.1
139.11183	1.3
143.08585	0.8
145.04970	3.4
145.06523	0.7
145.10109	2.8
146.05354	1.2
149.05943	1.0
149.09615	2.0
151.07545	4.4
153.09090	4.7
159.11682	1.7
161.04422	1.6
161.12994	0.9
163.06007	1.1
163.11174	3.2
165.05545	0.8
167.03357	1.9
167.07019	1.9
173.09302	2.6
177.05269	0.7
181.04956	1.4
181.12254	0.7
185.04240	1.1
187.11276	1.6
187.14453	1.4
189.12711	1.2
191.10661	2.9
195.13779	0.8
204.20950	0.7
207.12161	0.8
207.13814	5.2
209.11775	1.2
215.10669	1.0
215.13927	1.2
225.14880	2.9
226.10942	0.8
227.05191	1.0
245.06221	0.8
259.07950	0.6
271.04367	0.7
289.05386	0.7
301.12616	6.8
325.12357	0.9
343.13654	39.8
344.13794	2.0
351.14185	1.2
355.11758	1.1
369.11539	1.0
387.12537	100.0
387.16473	15.9
387.26279	3.9
388.12750	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	387.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
55.05511	1.7
57.03434	1.5
61.02931	0.9
67.05499	2.6
69.03431	3.5
69.07079	4.2
69.14452	6.6
70.06591	7.1
71.04996	2.2
72.08158	2.1
73.02918	2.7
74.06066	0.9
79.05493	3.2
81.03415	2.7
81.07074	4.4
83.05022	1.7
84.04526	0.9
84.08134	2.3
85.02911	5.7
86.09718	5.6
91.05470	4.2
93.00074	0.8
93.07043	6.4
94.06585	2.5
95.04974	9.6
95.08601	2.3
97.02910	2.8
97.06558	2.4
98.22573	1.5
99.04485	2.3
101.02411	1.8
105.07033	5.4
107.05011	1.6
107.08625	2.1
109.02911	0.8
109.06532	3.2
109.10122	1.0
111.04456	1.2
116.07117	2.8
117.03427	1.5
117.07046	2.0
119.08595	2.5
121.06513	2.2
121.10146	3.2
121.63027	0.7
122.06080	4.0
123.08080	1.4
125.05973	1.3
127.03930	2.1
129.10248	2.0
131.08586	2.0
133.06473	1.6
133.10132	1.2
135.08037	1.3
135.11705	1.5
136.07605	1.6
137.05989	3.2
139.07315	4.7
139.11205	1.5
143.08612	0.9
144.10265	1.0
145.02861	2.5
145.04955	2.1
145.10161	6.1
147.08058	0.8
147.11685	1.1
149.05992	1.4
149.09642	2.2
151.07552	4.1
153.05452	0.9
153.09161	1.2
159.11713	1.4
161.04443	1.8
161.13110	0.9
163.11197	4.8
164.07089	1.7
167.07018	1.5
173.09474	2.8
175.11984	1.1
177.05472	5.2
181.04953	1.4
181.12283	1.2
187.11165	1.3
187.14540	1.2
189.12668	1.3
191.10661	3.9
207.10162	1.1
207.13808	3.6
209.11703	1.7
225.14938	1.8
227.05283	2.7
233.11592	1.2
259.08258	0.9
271.04346	1.2
301.12607	9.5
325.12497	2.6
343.13632	54.7
344.13965	3.2
351.14389	3.0
387.12579	100.0
387.16510	22.9
387.26294	3.9
388.12918	6.2
388.16632	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.23621	3.0
53.03944	4.6
55.01869	15.9
64.01430	2.9
65.03947	5.9
66.43639	2.8
69.03414	3.0
69.22817	17.4
70.06591	4.1
71.05003	3.1
72.08170	3.5
78.04699	5.3
79.05497	19.6
81.07066	6.6
84.04522	5.0
85.02879	4.4
86.09705	14.5
91.05500	11.2
95.04974	15.0
98.71719	3.2
103.05481	11.9
105.07059	9.8
106.04180	7.2
107.04955	25.3
109.06520	5.5
115.05453	9.6
117.06936	6.1
121.06537	6.6
121.10159	2.9
122.03665	8.6
123.04441	13.4
124.05220	9.1
125.06042	4.9
131.04918	20.3
132.05708	4.7
133.06392	4.5
133.10242	3.3
134.03633	6.7
137.05977	43.7
137.09631	4.4
143.04971	7.3
144.05675	5.1
145.06529	8.2
146.11778	4.4
147.04379	4.3
147.08109	4.2
149.05995	9.3
151.03886	9.4
152.04739	4.3
153.05438	4.5
155.04913	5.0
157.06490	5.2
159.07986	3.6
161.06015	8.2
161.09691	5.4
163.07538	4.3
165.06982	6.9
165.09134	7.3
167.07050	100.0
168.07385	4.4
172.05211	3.4
173.06004	7.0
175.07600	12.5
176.04761	5.6
177.05470	17.6
177.06923	6.2
178.07799	5.5
179.07008	3.4
181.05016	17.6
183.04367	4.3
185.05983	3.5
187.07561	8.3
189.07002	9.0
190.07779	6.0
191.07082	28.4
191.08635	6.4
192.07751	6.3
195.06543	18.8
195.08084	5.2
202.07793	11.6
203.07028	13.6
203.08662	9.0
205.06581	14.5
206.07298	10.7
207.08173	6.5
215.07104	15.7
217.06543	5.5
218.07300	7.9
219.08023	15.5
220.08755	7.7
221.06093	6.8
221.09712	4.8
223.07549	4.5
230.07285	5.5
231.08063	16.6
233.05937	8.6
234.06662	16.0
235.07500	12.6
236.08199	4.3
237.09081	8.6
239.07123	4.0
244.05359	4.2
245.06017	8.1
246.06728	8.9
247.07513	14.7
248.08279	14.3
249.05472	4.9
249.09079	13.1
250.06419	3.4
250.09734	5.2
251.06972	10.2
253.08495	3.3
258.06863	4.1
259.07568	14.7
260.08167	5.5
261.05426	6.7
261.09406	3.3
262.06140	7.1
263.07056	12.4
263.10666	3.0
264.07773	13.0
265.08630	10.1
273.05551	5.1
275.07071	8.2
276.07748	11.9
277.08548	24.3
278.06396	3.2
278.09470	8.3
279.07007	4.9
279.10165	15.2
281.08105	3.7
287.07071	14.1
289.08701	3.9
290.09442	5.4
291.06815	6.4
291.10184	24.1
292.07138	5.4
293.07993	9.7
294.08517	3.8
295.09445	6.7
297.11063	6.0
304.07236	7.9
305.08047	46.6
306.08578	10.4
307.09525	22.4
308.10339	6.7
309.07718	4.8
309.11215	11.9
319.09644	30.6
320.10318	4.7
322.08182	4.6
323.08997	5.7
324.09735	4.7
325.10800	10.5
336.09985	5.2
337.10709	81.2
338.11157	6.5
339.08716	5.2
339.12332	28.0
341.13742	3.6
351.12317	26.1
357.13321	17.9
369.13266	23.1
370.13736	4.4
387.14267	33.0
387.27176	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	387.1439
Annotation	(-)-5-Methoxybalanophonin
Peak:m/z	Relative Intensity
55.01875	17.9
55.05510	4.0
66.11610	3.3
67.05518	4.3
69.03461	4.1
70.06579	5.0
71.31717	4.9
78.04741	4.6
79.05511	17.2
81.07066	9.3
83.04983	5.5
86.09736	3.5
91.05482	18.2
91.24765	3.1
93.07031	5.1
95.04974	13.1
95.08633	8.1
103.05483	15.2
105.03416	4.4
105.07056	12.0
106.04180	6.2
107.04964	28.3
107.08598	5.1
111.04484	7.8
115.05483	6.3
117.03388	5.9
117.07031	6.0
118.04176	5.8
119.04940	6.2
119.08593	9.0
121.06504	9.9
123.04439	10.3
124.05227	7.3
128.06213	4.1
129.07043	7.9
131.04922	23.1
131.08571	13.1
132.05812	8.2
133.02869	4.0
133.06497	4.2
133.10204	4.3
135.04431	3.9
137.05991	39.4
143.04945	7.9
143.08609	8.2
145.06516	9.8
145.10139	15.8
147.04428	5.1
147.08142	4.5
149.06030	8.2
151.03925	10.1
151.07704	4.2
152.04689	8.9
153.05469	7.6
155.04906	5.6
157.10214	5.6
160.05200	4.2
165.09067	3.9
167.07062	82.7
169.10185	5.2
171.11739	5.9
172.05205	5.2
173.06000	8.4
173.13272	5.6
175.07574	8.2
177.05508	13.0
178.07726	6.8
179.06996	5.5
179.08522	8.3
181.05002	11.9
181.06470	3.6
183.04453	4.1
183.06636	3.4
183.11786	6.9
185.05997	5.7
185.13293	6.7
187.07585	5.8
187.14825	17.5
189.05522	3.8
189.07047	9.4
191.07065	27.8
191.08632	8.9
192.07831	4.7
193.10056	4.2
195.06589	27.4
195.08171	5.6
201.16400	5.7
202.07822	9.5
203.07033	10.3
203.08606	12.3
204.09341	4.0
205.06502	16.5
206.07301	14.0
207.06470	5.1
209.13200	5.2
215.07033	13.7
218.07300	10.3
219.08118	17.8
220.08862	6.9
221.06003	5.7
221.09615	8.1
222.06615	7.3
223.07532	5.0
230.07253	6.0
231.08073	24.2
232.08673	3.8
233.06006	10.6
233.07990	4.5
234.06808	23.0
235.07533	12.2
245.05989	8.0
246.06689	8.5
247.07532	20.2
248.08292	9.5
249.09160	20.6
251.07063	9.9
258.06796	7.5
259.07538	20.3
260.08148	4.1
261.05655	7.8
261.08945	5.4
262.06232	7.2
263.07080	10.4
263.10800	4.7
264.07779	6.7
265.08615	9.9
273.05615	4.0
275.06989	8.9
276.07886	15.6
277.08530	24.7
278.09207	5.1
279.06799	5.9
279.10153	21.1
281.11691	3.7
287.07040	11.8
289.05240	4.1
289.08554	6.5
290.09369	9.8
291.10016	21.0
292.07257	5.0
293.08099	14.9
294.08905	6.8
297.11365	4.1
304.07346	8.5
305.08087	65.1
306.08603	8.7
307.09692	21.0
308.10400	7.2
309.11209	9.7
311.09128	4.0
315.21143	3.9
319.09647	35.7
321.07660	5.6
323.09360	7.8
324.09946	5.6
336.10071	5.4
337.10748	100.0
338.11179	9.8
339.12360	20.9
351.12329	35.3
354.10678	4.2
355.11972	6.1
357.13342	15.4
369.13336	22.0
370.13843	4.1
387.14417	42.0
387.26465	31.9
387.30664	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.02382	0.7
51.16898	0.2
52.66471	0.3
53.03933	0.9
53.84695	0.3
55.01860	1.2
55.05499	1.0
58.27198	0.3
60.43178	0.3
60.60153	0.3
65.03935	2.5
66.04717	0.6
67.05508	2.0
69.03417	1.0
69.07063	0.4
69.12538	2.5
77.03940	0.5
78.04708	0.5
79.05497	2.9
81.03402	1.2
81.07056	2.1
82.04181	0.6
83.04944	0.3
83.08623	1.5
84.08150	0.3
85.02909	1.9
87.12122	0.3
91.05485	3.6
93.03390	0.6
93.07044	0.8
94.04195	3.6
95.04972	1.6
95.08599	1.3
97.02933	0.5
97.06537	0.6
97.10063	0.3
97.38068	0.3
102.04681	0.4
103.05469	11.7
105.03350	0.6
105.04546	0.3
105.07037	2.7
106.04176	0.6
107.04953	2.7
107.08584	1.2
108.02099	1.0
109.06527	0.9
109.10165	1.2
110.03645	0.8
111.04423	0.8
111.08078	0.6
115.05457	3.2
117.07024	2.6
118.04164	2.9
119.04919	1.2
119.08583	1.3
120.05690	0.3
121.02858	0.5
121.06504	1.2
121.10083	0.4
122.03650	9.2
123.04420	1.2
124.05188	0.5
125.05993	1.0
128.06227	0.6
129.06996	0.8
130.04143	0.8
130.05011	0.4
131.04930	9.6
131.08571	1.0
132.05721	0.9
133.02843	1.8
133.06494	2.2
134.03648	0.5
135.04385	0.4
135.08064	1.0
136.07516	0.5
137.05974	100.0
138.03104	0.7
138.06299	3.4
139.07521	0.6
141.05444	0.8
142.02589	0.9
142.07776	0.4
143.04930	2.7
143.08521	0.8
145.06479	3.0
145.10126	1.2
146.03644	1.1
147.04424	0.7
147.08066	0.4
147.11702	0.4
148.05186	6.3
149.05931	1.2
149.91507	0.3
151.03914	25.8
151.05011	2.3
151.07536	0.8
152.04405	0.9
153.05431	0.7
155.06029	1.2
155.08551	0.6
157.06474	0.4
157.08791	0.4
157.10123	0.8
159.11754	0.4
160.05234	0.5
161.05971	1.2
163.07542	12.2
165.05473	1.2
165.09109	0.8
167.07051	14.8
167.08498	0.8
168.07388	0.7
171.04388	0.6
171.06525	0.7
171.11723	0.4
173.06010	3.3
173.13277	0.5
174.06525	0.4
175.07501	1.7
175.09647	0.4
176.04732	1.4
177.05434	0.7
179.07039	0.9
181.04958	23.3
182.05275	0.9
183.11710	0.6
185.13214	0.7
187.07555	0.7
187.14853	1.4
191.07031	36.9
192.07433	1.2
193.08598	0.9
195.06537	0.5
195.11729	0.3
201.16443	0.4
203.06995	2.2
205.06651	0.5
205.08507	2.4
206.07161	0.3
207.10081	0.5
209.08148	1.2
219.08090	0.4
219.09984	0.3
221.07928	0.4
233.08055	2.0
234.06770	0.7
235.07541	0.5
235.09630	2.4
247.07516	0.7
249.09067	0.8
250.06253	0.5
253.08620	0.3
259.07584	0.4
262.06241	0.4
263.09177	0.8
264.07794	0.4
265.08521	0.3
276.07938	0.4
277.08578	0.9
279.10181	0.4
291.10086	0.8
293.08044	0.8
294.08633	0.4
295.09634	0.5
297.11407	0.4
305.03482	0.3
305.08063	1.3
306.08807	0.3
307.09604	0.6
309.11151	0.7
319.09570	0.8
325.10651	0.6
337.10773	1.9
339.12253	0.7
351.12335	1.0
355.11981	1.6
357.13297	11.8
358.13736	1.1
369.13358	1.2
387.14368	24.9
387.26257	2.2
388.14850	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03939	1.0
55.01859	1.8
55.05497	1.3
58.35023	0.5
64.60593	0.5
65.03937	3.7
66.04698	0.6
67.05487	2.2
69.03397	0.5
69.07050	1.0
70.06591	0.6
71.67470	0.5
73.62790	0.6
78.04689	0.8
79.05497	3.2
81.03420	1.3
81.07043	1.9
82.04224	0.9
85.02901	1.8
85.60639	0.6
90.04720	0.5
91.05502	4.1
92.81288	0.5
93.03417	0.8
93.07005	1.1
94.04188	2.8
95.04964	2.1
97.06536	0.9
103.05461	9.0
105.03382	0.8
105.04448	0.6
105.07024	2.2
106.04166	1.4
107.04958	3.8
107.08604	0.5
108.02092	1.1
109.06487	0.8
110.03657	1.0
115.05440	4.0
117.07032	2.6
118.04165	3.1
119.04967	1.1
121.06498	1.7
122.03657	9.6
123.04429	2.0
124.05163	0.6
125.06011	1.0
128.06212	0.6
129.07025	0.6
130.04144	1.1
131.04932	8.9
132.05653	1.1
133.02864	2.4
133.06494	1.8
134.03615	1.2
135.04424	0.7
135.08040	0.9
137.05977	100.0
138.06323	3.6
142.02606	0.6
143.04958	3.8
145.06496	3.2
146.03624	0.7
147.04405	0.9
148.05162	5.1
149.05959	2.0
151.03915	22.8
151.05019	2.2
151.07559	1.3
153.05489	1.1
155.06087	1.1
161.06013	1.2
163.07542	8.8
165.05467	1.2
165.06888	0.7
165.09145	1.1
167.07040	21.3
171.06512	0.9
173.05978	5.5
175.07570	2.1
176.04680	1.4
177.05478	2.0
178.07761	0.9
179.07028	1.2
181.04958	28.0
182.05249	1.2
187.07585	0.9
190.06071	1.0
191.07033	30.6
192.07416	1.1
195.06528	0.8
202.07797	0.8
203.06970	2.5
205.06633	1.1
205.08475	2.8
206.07193	1.0
209.08127	1.4
215.06889	0.7
219.08185	1.3
231.08023	1.5
233.06056	0.8
233.08107	2.0
234.06625	0.8
235.07570	1.0
235.09679	1.8
237.09068	0.7
246.06917	0.7
247.07501	1.5
248.08408	1.1
249.09111	0.8
251.06952	0.8
257.08203	0.6
261.05527	0.6
262.06207	0.9
263.06940	0.7
264.07736	0.7
265.08673	1.3
267.06726	0.6
275.07071	0.8
276.07861	1.1
277.08627	1.3
278.09253	0.6
279.06711	1.0
279.10132	1.4
282.08853	0.6
287.07303	0.9
289.08649	0.5
291.10147	1.2
292.07385	0.6
293.08005	0.8
295.09598	1.1
305.08109	3.2
306.09097	0.5
307.09677	1.7
309.11261	1.3
319.09769	1.0
323.09207	0.7
325.10565	1.1
326.11185	0.7
327.12234	1.3
337.10669	4.0
339.12277	1.1
345.33804	0.5
351.12204	2.1
355.11679	1.5
357.13306	12.1
358.13712	1.2
369.13242	1.7
375.63467	0.5
387.14355	32.2
387.27310	0.9
388.14774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03943	2.0
55.01868	2.4
62.98227	1.3
65.03953	2.6
67.05482	1.4
70.06590	1.9
71.31306	2.2
78.04697	1.5
79.05492	3.5
84.08147	1.5
85.02924	1.7
85.89004	1.2
87.28358	1.3
89.03895	1.5
91.05491	4.9
91.58626	1.4
94.04195	3.3
95.04971	1.6
100.26715	1.2
103.05474	7.9
107.04964	5.5
115.05449	2.1
117.07030	2.5
118.04246	1.9
121.06500	3.0
122.03635	7.6
123.04461	1.7
131.04919	7.2
133.06551	2.5
135.04362	1.3
137.05980	100.0
138.06319	2.2
143.04980	4.1
145.06522	3.8
146.03575	1.7
148.05238	4.0
149.06009	2.5
151.03928	16.2
151.05019	1.7
155.06049	1.4
155.99289	1.3
163.07587	7.0
163.17567	1.7
165.05417	2.1
167.07050	26.2
173.06044	5.2
175.07663	1.5
177.05452	3.0
181.04968	24.2
190.09779	1.2
191.07057	20.1
192.07542	1.5
203.07010	2.5
205.08606	3.8
233.08162	1.7
235.07512	1.8
235.09760	3.4
251.07225	1.8
255.71400	1.5
277.08633	2.1
293.08066	1.7
299.08893	1.4
305.07913	2.8
309.11090	2.4
337.10751	5.0
351.12222	2.7
357.13376	12.5
369.12778	1.7
387.14297	35.0
387.27100	2.1
388.14636	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	387.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.4
57.03436	0.9
60.04536	0.5
60.05671	0.4
69.03427	1.1
69.07090	0.4
69.49697	1.9
70.06599	3.9
71.05022	0.5
72.08161	2.3
73.02919	2.3
74.03242	0.4
79.05491	0.5
81.03392	0.5
82.10129	0.4
83.06161	0.4
84.08153	1.3
85.02914	2.6
86.03255	0.8
86.09718	4.3
87.13605	0.4
90.93927	0.4
91.05489	0.5
97.02910	1.2
97.33116	0.4
105.07055	0.5
107.05018	0.5
109.02899	0.5
110.03724	0.4
115.03977	0.8
116.04282	0.5
116.07090	1.2
127.03886	0.9
128.04294	0.6
129.10260	0.6
133.05008	0.9
137.05975	0.7
145.04985	1.3
146.05301	0.9
147.04364	0.5
163.06053	0.6
163.11212	0.6
167.07033	1.5
175.11913	0.9
177.05513	0.9
181.05017	1.1
199.18106	0.5
207.06580	0.9
207.13841	0.6
225.10980	1.1
226.05315	0.5
343.13544	1.9
387.16306	100.0
388.16641	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	387.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01874	3.3
55.05508	2.6
57.03447	1.6
60.30104	0.8
66.20708	0.8
67.05508	2.7
68.17290	0.8
68.40141	0.8
68.96610	0.8
69.03419	4.4
69.07063	5.5
70.06592	2.3
70.32455	0.8
70.93456	1.6
71.01347	0.9
71.05000	2.4
72.08165	3.0
73.02925	3.4
79.05502	3.9
80.20045	0.8
81.03424	2.1
81.07058	6.7
83.01337	1.0
83.04977	4.3
84.08142	1.3
85.02907	9.2
85.06572	2.1
86.09709	6.1
91.05476	5.4
93.07048	8.7
95.04974	12.7
95.08620	2.6
97.02917	3.0
97.06548	3.6
99.03776	0.9
99.04434	2.0
101.02410	2.0
103.03930	1.1
105.04446	1.0
105.07036	7.1
107.04994	1.4
107.08604	2.8
109.02912	1.4
109.06539	3.7
111.66101	0.9
112.90775	0.8
116.07118	2.3
117.07024	2.0
119.08632	2.3
121.06531	2.7
121.10149	5.3
123.08079	1.3
123.11746	3.6
125.06001	2.4
127.03932	2.6
127.07595	1.0
131.08592	3.0
135.08073	1.1
135.11742	2.1
137.05984	4.7
139.07536	1.6
139.11232	2.7
145.04996	1.2
145.10115	7.4
147.02844	1.7
147.08076	0.8
147.11742	1.2
149.05954	1.7
149.09657	2.2
151.03903	1.9
151.07542	5.4
153.09157	1.7
159.11752	2.0
161.04506	2.3
161.26256	0.8
163.11177	7.7
167.07074	1.0
173.09608	2.0
181.04941	0.9
181.12251	1.9
185.16463	1.9
187.11226	2.9
189.12799	1.8
191.10651	6.3
205.12279	1.7
207.10077	1.2
207.13901	3.6
209.11815	2.8
215.10760	2.0
225.07643	1.6
225.11142	1.6
225.14897	5.8
233.11795	1.6
243.08742	1.7
251.12836	1.2
268.39853	0.9
289.09012	1.8
301.12680	2.0
309.13422	1.3
343.13641	6.7
351.14377	2.1
356.99823	1.0
387.12619	9.5
387.16412	100.0
388.16574	9.6
388.20905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1626
Annotation	Macrosphelide K
Peak:m/z	Relative Intensity
53.03940	0.4
68.07836	0.3
70.06592	3.0
71.04992	0.3
72.08157	5.2
73.02952	0.3
79.05480	0.4
83.53528	0.3
84.08136	0.7
85.02915	0.5
86.09710	5.4
98.22601	0.6
105.07035	0.3
107.48917	0.3
123.11670	0.3
127.08704	1.0
149.06088	0.3
151.03961	0.4
155.08202	0.7
163.11217	0.4
167.07034	3.1
175.10782	1.2
181.04910	0.5
185.16498	1.9
191.70563	0.3
209.99844	0.5
213.16014	1.4
225.02184	0.5
225.07578	0.4
225.11055	0.4
277.90005	0.3
280.07767	0.3
289.08768	0.4
343.13785	0.4
387.16269	100.0
388.16553	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	387.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01876	27.6
55.05507	19.0
55.20679	3.9
57.03441	7.7
60.21172	3.7
61.02925	10.1
62.59334	4.0
65.44933	3.8
67.05505	29.5
69.03429	14.1
69.07067	77.6
69.29351	18.7
71.01360	6.4
71.04991	18.3
73.02914	16.8
79.05486	35.9
81.07057	98.9
82.07403	5.1
83.01335	5.8
83.04975	24.3
84.03720	4.2
85.02920	23.7
85.06538	28.7
86.09686	6.7
91.05479	40.3
93.07046	93.9
95.04973	65.8
95.08623	23.0
97.06536	28.8
99.04461	9.1
101.02393	39.1
105.07030	100.0
107.04987	10.0
107.08588	40.5
109.06515	65.6
109.10125	8.7
111.04433	6.5
111.08119	5.8
111.11732	11.0
113.05978	5.5
117.07007	11.9
119.03413	8.3
119.08595	29.1
121.06502	23.2
121.10135	65.0
123.08093	9.2
123.11686	20.9
125.05979	19.0
127.07516	20.3
130.07796	13.2
131.08569	30.4
133.04985	4.5
133.06496	8.0
135.04420	6.9
135.11656	20.9
137.05981	28.9
139.07535	6.0
139.11185	37.4
143.08540	5.0
145.10115	70.3
147.02907	23.8
147.08130	5.3
147.11700	8.1
149.05881	5.1
149.09630	31.5
151.07541	68.6
153.05478	5.3
159.11723	12.6
159.54796	3.9
161.04437	32.1
161.09657	5.7
163.11176	53.7
165.09116	9.3
167.10623	4.0
169.10121	4.9
171.02885	6.9
173.09645	21.8
181.12238	11.2
182.12598	4.0
187.11124	31.9
189.12784	7.4
191.10664	72.1
192.10963	5.8
205.12166	19.6
207.13811	17.1
209.11700	41.2
215.10684	21.7
233.11734	27.5
243.08626	11.1
251.12784	11.8
253.07216	4.0
299.15060	8.5
305.13953	5.0
309.13297	16.8
323.14886	8.0
327.14545	8.5
333.13354	5.4
343.13541	20.4
351.14441	32.3
369.15366	15.9
387.12427	29.1
387.16449	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	387.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01868	16.6
55.05514	10.4
57.03433	6.0
61.02924	7.1
62.66444	2.0
65.03941	3.3
66.01859	2.2
66.04723	2.0
67.05506	17.7
68.76942	2.3
69.03436	15.3
69.07067	53.3
70.06601	10.7
71.01340	3.6
71.04990	11.7
73.02926	10.4
79.05495	28.0
81.03420	5.6
81.07063	48.8
83.01341	3.1
83.04980	22.8
83.08650	2.1
84.08140	3.5
85.02908	11.7
85.06538	14.0
87.00833	2.5
87.74795	1.9
91.05476	32.2
93.07044	66.4
95.04971	40.2
95.08607	22.5
95.50709	2.1
95.80531	2.1
97.02899	9.6
97.06538	24.1
99.04476	8.1
101.02379	24.1
103.05463	4.2
105.01859	5.8
105.07034	100.0
107.04974	13.6
107.08598	30.1
109.02896	3.6
109.06512	36.0
109.10146	5.0
111.04446	3.3
111.08080	5.8
111.11728	8.2
113.06052	3.9
115.03928	3.6
115.05446	3.0
117.07001	8.6
119.03372	4.7
119.04943	2.5
119.08591	13.7
121.06521	20.9
121.10154	43.2
123.04433	3.5
123.08060	9.0
125.06023	10.5
127.03946	13.6
127.07541	9.2
128.78067	2.0
129.07013	5.2
130.07791	6.3
131.04979	2.5
131.08572	28.7
133.06490	8.6
133.10110	4.5
135.04390	4.3
135.08070	3.4
135.11710	14.8
137.05978	37.3
139.07552	5.4
139.11192	26.7
143.08609	7.8
145.04977	7.0
145.06557	2.5
145.10126	52.6
147.02888	19.4
147.08090	2.5
147.11687	6.6
149.06004	7.1
149.09630	21.1
151.03851	4.2
151.07541	51.2
153.05457	4.0
155.08495	2.9
159.11707	10.7
161.04471	23.8
161.05855	3.3
161.09627	2.7
163.07570	2.8
163.11192	42.7
165.09138	6.1
167.07028	9.7
167.10680	3.4
173.05988	2.4
173.09608	18.4
173.13274	11.6
177.12793	2.4
179.10680	3.8
181.04938	5.7
181.12212	11.3
186.54489	2.2
187.11183	19.2
189.12799	5.2
191.06999	5.5
191.10654	51.3
191.14343	7.7
205.12251	10.6
207.13753	2.6
209.11749	21.9
215.10732	12.2
225.14957	2.4
231.05009	3.6
233.11763	13.7
243.08626	7.7
251.12895	7.2
281.13876	4.9
291.12280	3.2
299.14932	4.5
305.13824	7.9
309.13336	11.0
323.14880	7.2
333.13239	6.5
351.14432	17.1
355.12000	2.3
357.13370	4.0
369.15237	6.8
387.14520	13.9
387.19302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01868	16.6
55.05514	10.4
57.03433	6.0
61.02924	7.1
62.66444	2.0
65.03941	3.3
66.01859	2.2
66.04723	2.0
67.05506	17.7
68.76942	2.3
69.03436	15.3
69.07067	53.3
70.06601	10.7
71.01340	3.6
71.04990	11.7
73.02926	10.4
79.05495	28.0
81.03420	5.6
81.07063	48.8
83.01341	3.1
83.04980	22.8
83.08650	2.1
84.08140	3.5
85.02908	11.7
85.06538	14.0
87.00833	2.5
87.74795	1.9
91.05476	32.2
93.07044	66.4
95.04971	40.2
95.08607	22.5
95.50709	2.1
95.80531	2.1
97.02899	9.6
97.06538	24.1
99.04476	8.1
101.02379	24.1
103.05463	4.2
105.01859	5.8
105.07034	100.0
107.04974	13.6
107.08598	30.1
109.02896	3.6
109.06512	36.0
109.10146	5.0
111.04446	3.3
111.08080	5.8
111.11728	8.2
113.06052	3.9
115.03928	3.6
115.05446	3.0
117.07001	8.6
119.03372	4.7
119.04943	2.5
119.08591	13.7
121.06521	20.9
121.10154	43.2
123.04433	3.5
123.08060	9.0
125.06023	10.5
127.03946	13.6
127.07541	9.2
128.78067	2.0
129.07013	5.2
130.07791	6.3
131.04979	2.5
131.08572	28.7
133.06490	8.6
133.10110	4.5
135.04390	4.3
135.08070	3.4
135.11710	14.8
137.05978	37.3
139.07552	5.4
139.11192	26.7
143.08609	7.8
145.04977	7.0
145.06557	2.5
145.10126	52.6
147.02888	19.4
147.08090	2.5
147.11687	6.6
149.06004	7.1
149.09630	21.1
151.03851	4.2
151.07541	51.2
153.05457	4.0
155.08495	2.9
159.11707	10.7
161.04471	23.8
161.05855	3.3
161.09627	2.7
163.07570	2.8
163.11192	42.7
165.09138	6.1
167.07028	9.7
167.10680	3.4
173.05988	2.4
173.09608	18.4
173.13274	11.6
177.12793	2.4
179.10680	3.8
181.04938	5.7
181.12212	11.3
186.54489	2.2
187.11183	19.2
189.12799	5.2
191.06999	5.5
191.10654	51.3
191.14343	7.7
205.12251	10.6
207.13753	2.6
209.11749	21.9
215.10732	12.2
225.14957	2.4
231.05009	3.6
233.11763	13.7
243.08626	7.7
251.12895	7.2
281.13876	4.9
291.12280	3.2
299.14932	4.5
305.13824	7.9
309.13336	11.0
323.14880	7.2
333.13239	6.5
351.14432	17.1
355.12000	2.3
357.13370	4.0
369.15237	6.8
387.14520	13.9
387.19302	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1801
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
53.03949	4.2
56.51910	0.9
56.96563	1.4
65.03937	1.4
69.32003	6.2
70.06581	1.5
73.81418	1.0
75.54185	1.3
78.04720	2.2
79.05490	16.6
81.07098	1.4
91.05470	14.9
92.06238	1.3
93.07056	12.2
95.04965	6.0
103.05479	6.0
105.07058	3.1
107.04957	32.1
115.05430	1.4
117.07001	2.4
119.04920	1.9
120.05700	1.9
121.06502	16.7
123.04423	4.9
124.05221	6.4
125.06012	4.0
126.55842	1.1
128.06230	2.1
130.07758	5.8
131.04933	1.3
133.02873	1.2
137.05984	3.7
138.06799	2.1
143.08554	6.5
144.05650	1.7
145.06534	2.3
145.10117	15.6
148.05119	2.6
149.05977	3.7
151.03935	3.9
152.04684	3.8
155.08577	5.2
157.06490	1.4
158.07280	21.7
159.07753	1.3
166.06255	11.9
167.07036	78.9
168.07387	3.1
171.08020	2.3
172.08873	1.6
173.09627	31.4
175.07674	1.3
181.08597	100.0
182.08914	4.9
183.09262	1.8
186.06773	4.4
189.09085	1.3
195.10162	7.1
201.09109	50.4
202.09525	1.8
218.09399	2.0
233.11716	37.4
234.12082	1.3
343.55511	1.1
355.15179	1.2
378.89386	1.2
387.18341	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	387.1802
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
50.12417	0.7
51.02375	0.9
53.03930	2.7
55.01868	2.3
65.03940	1.9
67.05493	0.8
67.37335	0.7
68.63653	0.7
70.20396	2.0
70.20750	1.4
76.35795	0.7
77.03898	0.7
78.04713	1.6
79.05495	15.2
80.48409	0.7
81.07056	2.1
91.04955	1.3
91.05483	14.1
93.07048	12.1
94.04197	1.6
95.04965	5.0
103.05462	5.5
105.04549	1.5
105.07027	3.6
106.04168	1.4
107.04953	34.3
108.05267	0.8
110.03672	1.1
115.05435	2.7
117.07021	3.1
119.04980	3.6
120.05733	3.0
121.06521	15.9
122.03654	2.5
122.06918	1.0
123.04417	6.0
124.05212	7.0
125.06022	3.5
128.06216	1.8
129.06989	1.9
130.07791	5.8
131.04921	2.8
133.02835	1.8
134.03662	0.9
135.04382	0.8
135.08081	0.8
136.05243	1.2
137.05983	11.1
138.06755	3.2
139.07553	1.5
143.02345	0.8
143.08557	7.6
145.06505	1.8
145.10130	16.9
147.04446	1.4
148.05228	1.6
149.05957	4.0
151.03932	4.4
152.04689	3.7
153.05522	0.9
153.06989	0.9
155.08536	6.2
157.06418	0.7
158.07263	20.6
159.07840	0.9
161.05945	1.3
163.07524	1.5
165.05554	1.0
165.06827	0.8
165.09091	0.8
166.06285	11.9
167.07040	87.3
168.07373	3.2
169.06467	0.9
171.08093	1.4
173.06039	1.1
173.09622	27.3
174.09973	2.6
175.07567	2.3
177.05386	1.1
181.05281	3.5
181.08595	100.0
182.07486	0.7
182.08928	4.1
183.09187	1.2
185.06015	0.7
186.06789	3.0
189.09007	0.8
191.06989	2.6
195.10197	6.8
201.09111	47.2
202.09483	2.0
203.07027	2.1
205.06517	1.2
205.08623	1.2
218.09393	2.5
231.08047	1.0
233.11729	35.8
234.06818	1.1
234.12033	2.0
235.07553	1.2
247.07715	1.1
249.09065	1.2
251.07007	1.2
259.07486	1.2
262.06213	0.8
279.06342	0.7
279.10056	1.0
291.09970	1.1
293.08203	1.3
305.08038	1.6
308.10080	1.0
309.11288	1.0
319.09641	1.7
322.32449	0.7
337.10611	4.3
343.11588	1.0
351.12131	2.1
357.13348	1.9
369.13257	1.6
387.13849	7.5
387.18967	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	387.1803
Annotation	(+)-Gomisin M2
Peak:m/z	Relative Intensity
55.05513	2.1
57.07080	8.9
58.06599	4.3
61.57712	1.6
69.07074	3.4
71.08607	3.1
71.32618	2.1
72.08163	20.3
73.08491	2.5
91.05499	2.1
93.07044	2.3
95.08614	2.7
119.08624	2.9
122.78430	1.8
137.06010	5.7
151.07581	2.5
156.17506	8.5
161.09698	2.0
165.05515	2.5
167.07074	4.5
169.06531	5.0
171.08015	2.3
181.06422	4.5
183.08174	2.0
184.05226	11.7
195.08157	2.4
196.05128	2.2
197.06003	5.9
197.08086	5.7
198.06729	6.5
199.07553	27.9
205.08548	2.1
211.04047	2.9
212.04738	7.5
212.23724	4.6
213.05489	6.0
213.09061	2.8
214.06271	2.3
215.06963	2.8
219.10175	2.5
221.11711	2.6
223.07712	1.9
225.05388	2.1
226.06302	7.1
227.07025	51.5
228.07787	8.2
229.05035	4.4
229.08588	3.5
235.07582	2.4
239.07089	2.5
239.10608	3.3
240.07726	2.0
241.05109	2.8
241.08589	9.6
242.05835	4.2
243.06532	6.7
244.07298	8.0
245.07959	3.1
250.09953	2.6
253.05205	1.9
254.05540	3.3
255.06497	17.9
255.10263	4.9
256.07153	3.2
257.08023	14.0
258.08768	2.4
259.09579	10.5
265.12112	3.0
267.06689	2.4
269.07977	4.3
270.05246	5.2
271.06024	12.0
271.09290	2.5
272.06769	2.6
281.11935	2.5
283.09595	3.9
285.07568	21.8
286.08334	25.9
287.09152	29.3
292.27789	2.1
293.11771	2.2
297.14886	4.1
299.09140	3.6
313.10605	2.6
315.08572	4.1
317.10266	21.0
324.36331	19.9
325.14307	26.9
325.36658	9.2
326.14761	4.8
327.15726	3.2
355.15414	8.4
357.17044	12.9
369.17032	2.6
372.15628	6.9
386.39929	70.0
387.18002	100.0
387.40222	46.4
388.18338	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	387.1804
Annotation	Isogingerenone B
Peak:m/z	Relative Intensity
51.24034	0.5
53.03948	3.5
66.77847	0.5
67.05510	0.8
69.72572	2.2
77.03929	0.7
78.04726	1.7
79.05498	14.6
80.44299	0.5
81.07063	2.1
91.05487	13.6
91.19129	0.5
93.07051	11.9
94.04203	1.0
95.04985	3.9
98.22629	0.9
103.05451	4.3
105.03419	0.7
105.04510	1.7
105.07031	3.7
106.04182	0.9
107.04961	30.7
108.05264	0.5
109.06492	0.6
110.03644	0.6
110.29665	0.6
111.04480	1.2
111.08183	0.6
115.05476	1.1
117.07031	2.3
119.04944	2.3
120.05708	2.0
121.06520	15.2
122.03665	1.1
122.06864	0.7
123.04440	4.0
124.05231	7.8
125.06016	3.5
128.06227	2.2
129.07005	1.9
130.07788	4.2
131.04930	1.7
131.08536	0.7
133.02916	1.4
135.08087	1.0
137.05983	1.9
138.06783	2.0
139.07573	0.7
141.07031	1.3
143.08569	7.9
144.05727	1.2
145.06493	2.1
145.10133	16.3
145.11267	1.1
147.04456	1.7
148.05215	2.1
149.05971	3.7
151.03891	3.3
152.04703	3.4
153.07027	1.1
155.08549	4.9
158.07277	22.3
159.07729	1.1
159.55760	0.6
163.07588	0.7
166.06255	12.0
167.07048	82.6
168.06134	0.6
168.07364	3.4
171.08014	1.0
172.08810	1.1
173.09631	32.2
174.09972	1.5
175.07561	0.7
181.08607	100.0
182.08928	5.0
183.09210	2.3
186.06750	4.2
187.07379	0.7
189.09128	0.7
195.10164	7.3
201.09117	50.5
202.09406	2.7
203.06982	0.8
218.09390	2.3
230.39697	0.5
233.11743	38.0
234.12062	1.8
235.11456	0.6
248.08218	0.6
329.10403	0.7
344.12607	0.6
355.15472	1.0
387.18021	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03937	7.0
55.01873	20.3
55.05501	15.6
67.05506	27.5
67.13551	5.6
69.03422	17.1
69.07077	37.0
69.26174	47.1
70.06582	9.4
71.04996	18.1
73.02930	10.3
79.05494	28.4
81.07066	74.1
83.04981	13.3
85.02905	100.0
85.06543	17.1
86.09701	18.8
91.05476	37.4
93.07054	58.4
95.04974	48.8
95.08608	23.7
97.02874	9.2
97.06541	29.1
101.02391	23.4
104.69087	5.9
105.07030	78.0
107.04935	8.6
107.08588	31.5
109.06538	45.4
109.10152	8.8
117.07031	8.4
119.08586	24.5
121.06497	23.7
121.10150	46.6
123.08062	6.4
123.11712	68.6
125.05981	15.6
127.07549	9.3
130.07771	8.2
131.08549	23.1
131.89169	6.8
133.06525	12.5
135.11678	10.2
137.05966	19.0
139.07510	10.9
139.11198	21.6
145.10130	43.7
147.02887	15.4
147.08073	10.7
147.11668	12.5
149.09607	24.9
151.07538	46.4
159.11717	17.4
161.04440	31.4
163.11185	38.2
167.10748	11.4
173.09639	15.6
181.12183	7.9
187.11195	25.1
189.12747	25.1
190.13153	11.5
191.10686	51.6
205.12218	13.9
207.13849	50.4
208.14268	11.2
209.11754	23.9
215.10680	18.1
225.11052	9.1
225.14841	14.3
225.16830	7.5
233.11710	20.8
243.08685	8.4
246.21278	6.0
299.14987	12.7
305.13950	7.4
309.13284	13.6
323.14810	11.7
343.13647	28.4
351.14453	11.9
369.15125	9.3
387.11969	51.3
387.16302	27.7
388.12744	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.04990	3.9
67.05493	4.1
69.03416	2.5
69.07077	1.9
69.98032	1.5
70.06605	1.6
70.45660	1.8
70.46013	2.8
79.05483	4.1
81.03379	1.7
81.07047	4.1
85.02894	7.1
86.09694	1.7
91.05481	5.3
93.07037	5.0
94.04202	3.3
95.04943	3.3
97.06533	1.7
97.13985	1.5
101.06010	1.8
105.07034	8.0
107.04985	2.0
107.08570	10.3
109.06526	4.5
109.10129	3.0
115.05450	2.0
117.07047	2.7
119.08590	5.3
121.06514	1.6
121.10136	4.8
122.03625	6.3
123.08062	4.9
124.08367	1.4
127.03940	2.2
135.08069	2.4
136.07603	1.6
137.05981	100.0
137.09604	17.4
138.06339	5.0
143.04916	2.6
145.06506	1.7
145.10086	1.6
147.11688	3.3
151.03931	2.9
151.07434	1.6
161.05931	1.9
161.13277	3.3
163.11327	1.5
167.07071	14.0
169.10120	1.5
173.05995	2.9
179.14294	2.0
181.04993	14.0
189.12762	3.3
203.06984	2.5
207.13799	3.4
225.14902	4.2
233.08047	1.9
235.09624	2.5
357.13303	11.5
369.13422	2.7
387.14420	24.2
387.19647	2.7
387.24948	1.7
388.14404	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.70573	2.5
53.03938	6.5
55.01877	6.3
55.05515	14.0
57.03435	7.3
59.04994	3.4
61.02922	7.9
62.15331	3.1
67.05505	9.5
69.03439	27.9
69.07055	7.4
70.06591	3.7
71.05009	6.1
71.11363	6.0
71.40219	2.7
72.08166	8.1
73.02937	3.5
73.21809	2.6
74.52777	2.5
79.05502	7.0
81.03421	11.9
81.07056	13.3
83.04986	28.5
85.02909	55.8
86.09702	6.0
87.04509	5.4
89.06034	100.0
91.05471	16.9
93.07032	11.5
93.40601	3.3
95.04969	9.0
95.08585	8.5
97.02881	15.7
97.06517	7.2
99.04434	6.1
105.07048	25.8
107.08572	18.4
109.02870	7.1
109.06540	6.9
109.10150	8.4
111.08127	3.7
117.06995	5.6
119.08582	34.2
121.06532	5.1
121.10165	10.4
123.08073	39.4
123.11679	7.2
125.09641	3.2
127.03908	11.2
127.04810	2.9
131.08606	5.6
133.06538	3.0
133.08600	60.7
133.10164	11.2
135.08067	9.9
137.09630	7.2
139.11176	4.1
143.08571	3.4
145.04935	9.0
145.10106	6.4
147.08023	6.2
147.11688	18.6
149.09642	6.4
149.13245	4.2
151.07568	4.9
151.11169	11.4
156.09239	3.2
159.11690	11.6
161.13313	15.6
163.11189	3.9
165.09131	4.4
167.14291	5.8
171.11714	6.5
177.11241	23.1
177.12640	6.6
181.04955	10.2
181.12207	4.1
189.12720	23.9
197.11676	6.5
207.13811	79.6
225.11070	27.8
225.14853	46.9
371.22852	13.9
387.16235	79.1
387.20724	4.3
387.26993	5.6
388.16666	5.4
402.97318	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03955	9.1
55.01873	17.0
55.05513	31.2
57.03436	12.8
61.02930	19.3
67.05507	21.5
69.03432	52.0
69.07072	26.7
69.37600	14.8
69.38010	6.1
70.06585	16.7
71.05000	17.2
72.08163	16.6
73.02924	12.2
79.05492	21.6
81.03410	26.4
81.07057	64.8
83.04982	56.4
83.08636	6.6
84.08156	5.5
85.02908	100.0
85.06535	10.1
86.09708	44.9
87.04482	8.8
87.15995	3.0
91.03973	4.3
91.05466	17.8
93.07043	37.7
94.06559	3.9
95.04978	39.6
95.08617	21.2
97.02897	42.3
97.06547	11.0
98.23438	3.5
99.04475	12.1
101.02380	6.4
105.07033	42.8
107.04993	8.8
107.08601	34.1
109.02872	15.9
109.06521	26.9
109.10161	13.8
111.04447	3.6
111.08112	4.6
111.11776	2.8
113.05991	4.0
115.05472	3.1
116.07112	9.9
117.06989	3.9
119.08580	24.6
121.06521	12.3
121.10151	24.8
122.06038	22.8
123.04479	4.2
123.08067	19.1
123.11699	15.3
125.05965	6.8
125.09642	11.2
127.03902	27.9
127.07573	5.2
129.07083	3.0
130.07835	4.0
131.08560	16.7
133.06480	6.6
133.10136	17.7
135.08038	4.9
135.11748	12.0
137.05972	7.2
137.09607	18.1
139.07544	3.9
139.11195	6.5
140.07155	3.0
143.08603	4.0
145.04927	16.8
145.10121	28.2
147.11685	11.2
149.09633	21.3
149.13220	3.8
151.03905	3.8
151.07561	34.1
151.11143	16.1
153.12808	12.3
158.71991	2.7
159.11697	11.1
161.04459	6.3
161.13319	8.9
163.07526	3.9
163.11192	57.6
165.12756	8.6
167.07047	6.8
167.10706	17.7
167.14310	7.4
171.11594	4.2
173.09663	5.7
173.13245	3.9
177.12808	4.9
179.14357	4.5
181.04967	7.9
181.12248	14.4
182.08040	5.3
183.13792	3.8
187.11249	11.2
189.12724	20.7
191.10727	12.3
191.14256	8.0
195.13719	17.4
205.12271	4.9
207.13818	50.8
209.11765	7.7
209.15393	6.7
215.10858	3.3
223.13380	4.4
225.14825	57.5
233.11804	5.3
246.58000	3.0
288.17059	3.0
301.12421	5.7
309.13409	3.3
322.96716	3.5
343.13708	17.3
351.14639	5.2
361.08444	3.9
361.99567	3.1
382.65546	3.2
387.12457	30.4
387.16760	46.2
387.27072	4.8
388.16342	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	387.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01865	6.6
55.05521	9.1
57.03444	10.7
65.03941	7.2
65.31039	1.4
67.05505	14.4
69.01958	14.6
69.03435	4.4
69.07070	16.3
70.06602	5.7
71.05000	3.3
72.08157	4.7
78.04731	2.6
79.05495	18.5
81.03410	3.6
81.07067	22.8
83.08600	8.4
84.08144	1.9
85.02947	3.6
85.06564	3.7
86.09724	2.3
91.05484	16.4
93.07056	15.6
94.04196	4.5
95.04984	8.9
95.08614	12.0
97.06534	4.5
97.10272	1.7
98.22491	2.7
99.04469	1.7
99.08096	2.4
103.05473	21.6
105.03392	2.1
105.04511	1.9
105.07045	13.8
106.04201	4.3
107.04955	10.1
107.08597	6.7
109.02888	1.8
109.06511	3.7
109.10172	6.6
111.08094	5.4
115.05470	6.9
115.08709	1.7
117.07050	6.1
118.04170	6.6
119.05017	2.4
119.08616	6.0
120.05771	2.0
121.02860	2.1
121.06532	8.7
121.10155	10.8
122.03647	9.2
123.04448	5.8
123.11736	2.9
124.05303	1.7
125.06011	4.0
125.09668	3.3
127.03990	2.4
129.06992	4.3
129.09215	2.1
130.04214	3.1
131.04950	20.4
131.08583	3.7
132.05647	3.6
133.02896	3.8
133.06516	6.3
133.10149	4.4
134.03697	2.1
135.04373	3.0
135.11699	10.1
136.05228	3.1
137.05989	100.0
137.09628	5.3
138.06270	2.5
139.11195	1.8
143.04942	3.7
143.08582	3.4
145.06520	7.8
145.10123	4.5
147.04401	2.8
147.08089	2.8
147.11781	2.7
148.05161	8.5
149.05989	8.4
151.03925	37.7
151.05043	4.6
151.07581	4.6
152.04681	2.2
153.05492	3.7
155.06030	2.9
155.10631	3.3
159.08052	2.5
160.05151	2.2
161.06003	6.9
161.09637	4.9
161.13249	3.2
163.03888	2.2
163.07547	14.8
165.05550	3.5
165.09143	8.4
167.07057	54.9
168.07301	2.1
173.05980	11.1
175.07629	2.1
175.14882	1.7
176.04785	2.8
177.05492	8.9
179.06999	5.4
179.08450	2.0
181.04974	31.8
181.06458	2.9
181.08640	2.2
182.05255	2.8
184.05138	1.7
185.13249	2.4
187.06052	1.9
187.07613	4.4
187.14877	2.4
190.08014	2.3
191.07045	52.4
191.08710	3.4
192.07532	5.0
193.08655	2.3
195.06546	3.5
195.08167	2.0
203.07037	5.8
204.13860	8.0
205.06516	2.0
205.08562	3.3
206.07326	2.8
207.06487	3.4
207.08270	2.6
207.10114	1.9
209.08157	3.4
217.08609	2.5
219.08113	4.2
221.05965	2.3
223.07576	3.0
233.06020	2.5
233.08138	4.8
233.51518	1.7
234.06834	2.6
235.07634	3.8
235.09749	3.7
237.08994	2.0
239.07176	2.3
247.07469	2.4
249.09137	3.2
251.06975	2.4
253.08467	2.2
265.08557	2.3
277.08664	2.6
278.09335	2.2
290.66754	1.8
293.08218	2.2
295.09763	2.1
305.08057	2.8
308.10269	2.0
309.11105	2.6
319.09756	2.6
325.10620	4.7
329.10309	1.9
329.13956	2.4
333.24295	9.9
337.10663	10.5
343.11942	2.0
351.12207	4.8
351.25314	9.7
355.11859	5.0
357.13336	14.7
369.09460	2.3
369.13422	4.0
376.37421	1.6
387.14417	58.9
387.27075	6.3
387.31122	3.5
388.14871	5.5
388.21179	16.1
388.25854	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	387.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01865	6.6
55.05521	9.1
57.03444	10.7
65.03941	7.2
65.31039	1.4
67.05505	14.4
69.01958	14.6
69.03435	4.4
69.07070	16.3
70.06602	5.7
71.05000	3.3
72.08157	4.7
78.04731	2.6
79.05495	18.5
81.03410	3.6
81.07067	22.8
83.08600	8.4
84.08144	1.9
85.02947	3.6
85.06564	3.7
86.09724	2.3
91.05484	16.4
93.07056	15.6
94.04196	4.5
95.04984	8.9
95.08614	12.0
97.06534	4.5
97.10272	1.7
98.22491	2.7
99.04469	1.7
99.08096	2.4
103.05473	21.6
105.03392	2.1
105.04511	1.9
105.07045	13.8
106.04201	4.3
107.04955	10.1
107.08597	6.7
109.02888	1.8
109.06511	3.7
109.10172	6.6
111.08094	5.4
115.05470	6.9
115.08709	1.7
117.07050	6.1
118.04170	6.6
119.05017	2.4
119.08616	6.0
120.05771	2.0
121.02860	2.1
121.06532	8.7
121.10155	10.8
122.03647	9.2
123.04448	5.8
123.11736	2.9
124.05303	1.7
125.06011	4.0
125.09668	3.3
127.03990	2.4
129.06992	4.3
129.09215	2.1
130.04214	3.1
131.04950	20.4
131.08583	3.7
132.05647	3.6
133.02896	3.8
133.06516	6.3
133.10149	4.4
134.03697	2.1
135.04373	3.0
135.11699	10.1
136.05228	3.1
137.05989	100.0
137.09628	5.3
138.06270	2.5
139.11195	1.8
143.04942	3.7
143.08582	3.4
145.06520	7.8
145.10123	4.5
147.04401	2.8
147.08089	2.8
147.11781	2.7
148.05161	8.5
149.05989	8.4
151.03925	37.7
151.05043	4.6
151.07581	4.6
152.04681	2.2
153.05492	3.7
155.06030	2.9
155.10631	3.3
159.08052	2.5
160.05151	2.2
161.06003	6.9
161.09637	4.9
161.13249	3.2
163.03888	2.2
163.07547	14.8
165.05550	3.5
165.09143	8.4
167.07057	54.9
168.07301	2.1
173.05980	11.1
175.07629	2.1
175.14882	1.7
176.04785	2.8
177.05492	8.9
179.06999	5.4
179.08450	2.0
181.04974	31.8
181.06458	2.9
181.08640	2.2
182.05255	2.8
184.05138	1.7
185.13249	2.4
187.06052	1.9
187.07613	4.4
187.14877	2.4
190.08014	2.3
191.07045	52.4
191.08710	3.4
192.07532	5.0
193.08655	2.3
195.06546	3.5
195.08167	2.0
203.07037	5.8
204.13860	8.0
205.06516	2.0
205.08562	3.3
206.07326	2.8
207.06487	3.4
207.08270	2.6
207.10114	1.9
209.08157	3.4
217.08609	2.5
219.08113	4.2
221.05965	2.3
223.07576	3.0
233.06020	2.5
233.08138	4.8
233.51518	1.7
234.06834	2.6
235.07634	3.8
235.09749	3.7
237.08994	2.0
239.07176	2.3
247.07469	2.4
249.09137	3.2
251.06975	2.4
253.08467	2.2
265.08557	2.3
277.08664	2.6
278.09335	2.2
290.66754	1.8
293.08218	2.2
295.09763	2.1
305.08057	2.8
308.10269	2.0
309.11105	2.6
319.09756	2.6
325.10620	4.7
329.10309	1.9
329.13956	2.4
333.24295	9.9
337.10663	10.5
343.11942	2.0
351.12207	4.8
351.25314	9.7
355.11859	5.0
357.13336	14.7
369.09460	2.3
369.13422	4.0
376.37421	1.6
387.14417	58.9
387.27075	6.3
387.31122	3.5
388.14871	5.5
388.21179	16.1
388.25854	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	387.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16328	1.1
50.98859	1.3
53.03945	1.5
55.05511	23.1
55.36859	1.3
57.07080	10.1
59.05009	2.6
60.08331	1.5
67.05510	20.3
69.07069	100.0
69.08839	12.2
70.07406	2.8
71.08634	12.4
73.06553	7.9
79.05502	10.5
81.07058	43.9
81.07518	2.6
83.08622	16.5
85.06554	2.6
85.10194	2.3
87.04480	1.9
87.08150	1.2
91.05463	12.4
93.07049	29.2
95.08610	77.7
96.08966	3.3
97.06510	1.3
97.10192	7.7
99.08121	4.5
101.06059	2.5
101.09684	1.2
105.03696	9.3
105.07031	26.0
105.07661	1.9
107.08594	36.0
107.09264	2.5
109.06441	1.4
109.10156	41.7
110.10530	2.5
111.11718	31.4
111.12408	2.0
113.09684	2.6
117.07062	1.9
119.08578	25.6
120.08865	1.6
121.10147	39.0
121.11002	2.0
122.06382	4.6
123.08125	1.5
123.11701	23.8
125.13289	4.0
127.07609	3.7
129.06903	1.2
129.09131	3.0
129.12781	2.1
131.08553	7.0
133.10136	26.2
135.11690	30.4
135.12663	1.9
136.12048	2.0
137.09723	2.1
137.13234	16.1
139.11205	2.6
141.09172	4.9
143.08583	1.3
145.10097	10.7
147.11681	24.7
147.12744	1.8
149.13263	22.2
151.14806	6.6
157.10262	2.4
157.12244	38.9
157.13460	2.5
157.87735	1.2
159.11685	7.6
161.13271	18.3
163.14813	9.0
165.16457	5.1
171.13881	2.6
173.13269	7.3
175.14821	17.3
177.16365	7.5
187.14798	7.6
189.16359	14.2
191.17946	30.8
192.18292	1.7
193.15944	2.3
197.15329	1.8
201.16478	2.7
203.17955	7.9
205.19540	2.0
211.16966	2.7
215.17982	3.4
217.19507	15.9
229.19592	2.5
231.21080	45.1
232.21397	2.9
233.19058	1.5
234.14040	1.4
237.18539	3.0
249.18567	1.6
251.20123	3.0
257.22830	1.8
263.20151	2.7
277.21793	3.1
285.25800	1.6
289.22049	1.5
291.23242	1.7
303.23294	1.4
305.24728	2.0
317.24850	1.8
324.32605	18.2
331.26291	3.0
332.11862	2.4
341.32294	4.3
345.12857	2.4
346.13156	1.5
357.11505	3.5
358.13171	2.3
359.13214	2.8
360.14944	2.2
369.31516	2.5
370.12787	1.8
371.12903	10.3
372.13696	15.1
373.14645	4.6
385.14691	7.3
386.15164	12.5
387.16248	97.6
387.32626	69.8
388.16965	31.5
388.32996	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	387.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16328	1.1
50.98859	1.3
53.03945	1.5
55.05511	23.1
55.36859	1.3
57.07080	10.1
59.05009	2.6
60.08331	1.5
67.05510	20.3
69.07069	100.0
69.08839	12.2
70.07406	2.8
71.08634	12.4
73.06553	7.9
79.05502	10.5
81.07058	43.9
81.07518	2.6
83.08622	16.5
85.06554	2.6
85.10194	2.3
87.04480	1.9
87.08150	1.2
91.05463	12.4
93.07049	29.2
95.08610	77.7
96.08966	3.3
97.06510	1.3
97.10192	7.7
99.08121	4.5
101.06059	2.5
101.09684	1.2
105.03696	9.3
105.07031	26.0
105.07661	1.9
107.08594	36.0
107.09264	2.5
109.06441	1.4
109.10156	41.7
110.10530	2.5
111.11718	31.4
111.12408	2.0
113.09684	2.6
117.07062	1.9
119.08578	25.6
120.08865	1.6
121.10147	39.0
121.11002	2.0
122.06382	4.6
123.08125	1.5
123.11701	23.8
125.13289	4.0
127.07609	3.7
129.06903	1.2
129.09131	3.0
129.12781	2.1
131.08553	7.0
133.10136	26.2
135.11690	30.4
135.12663	1.9
136.12048	2.0
137.09723	2.1
137.13234	16.1
139.11205	2.6
141.09172	4.9
143.08583	1.3
145.10097	10.7
147.11681	24.7
147.12744	1.8
149.13263	22.2
151.14806	6.6
157.10262	2.4
157.12244	38.9
157.13460	2.5
157.87735	1.2
159.11685	7.6
161.13271	18.3
163.14813	9.0
165.16457	5.1
171.13881	2.6
173.13269	7.3
175.14821	17.3
177.16365	7.5
187.14798	7.6
189.16359	14.2
191.17946	30.8
192.18292	1.7
193.15944	2.3
197.15329	1.8
201.16478	2.7
203.17955	7.9
205.19540	2.0
211.16966	2.7
215.17982	3.4
217.19507	15.9
229.19592	2.5
231.21080	45.1
232.21397	2.9
233.19058	1.5
234.14040	1.4
237.18539	3.0
249.18567	1.6
251.20123	3.0
257.22830	1.8
263.20151	2.7
277.21793	3.1
285.25800	1.6
289.22049	1.5
291.23242	1.7
303.23294	1.4
305.24728	2.0
317.24850	1.8
324.32605	18.2
331.26291	3.0
332.11862	2.4
341.32294	4.3
345.12857	2.4
346.13156	1.5
357.11505	3.5
358.13171	2.3
359.13214	2.8
360.14944	2.2
369.31516	2.5
370.12787	1.8
371.12903	10.3
372.13696	15.1
373.14645	4.6
385.14691	7.3
386.15164	12.5
387.16248	97.6
387.32626	69.8
388.16965	31.5
388.32996	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01858	4.6
57.03435	5.5
61.02924	3.2
63.31575	1.1
67.05479	2.1
69.03428	48.2
69.08984	8.0
69.09398	3.0
70.06593	1.3
71.01343	1.8
71.05000	11.2
71.59128	1.0
72.05877	1.0
73.02889	1.7
79.05499	2.1
80.50866	1.0
81.03416	31.8
81.07063	2.7
82.03729	1.3
83.01348	2.4
83.05003	2.4
84.08141	1.6
85.02905	52.3
86.03213	2.4
87.00826	30.3
87.04474	5.9
89.48154	1.1
91.05471	1.9
93.07027	2.1
95.08584	1.8
97.02891	67.4
98.03293	1.6
98.23433	2.1
99.04453	27.2
101.02357	2.1
103.05447	1.4
105.01859	23.7
105.07040	10.9
107.05019	1.4
107.08573	2.1
109.02870	11.0
114.63176	1.2
115.03971	1.5
116.05025	1.3
119.08583	1.4
127.03912	100.0
128.04262	2.4
129.07053	1.4
136.07550	1.3
137.05984	3.7
143.08495	1.6
144.04401	1.8
145.04956	72.0
146.05273	2.2
151.07539	1.2
153.05516	1.1
158.10913	1.3
159.02884	1.7
167.07045	3.7
171.02924	2.8
171.97208	1.3
172.03960	9.0
173.13199	3.2
177.05478	1.1
181.04936	4.8
189.08943	1.2
191.14333	2.4
200.36978	1.1
203.87691	1.1
204.06572	15.0
208.14143	1.5
209.08058	2.8
213.03951	3.4
225.14882	2.3
226.15228	4.2
231.04987	56.5
232.05226	2.0
249.06044	21.4
288.61649	1.2
296.13440	1.2
357.14352	3.1
363.80005	1.3
388.15482	1.6
389.16092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.9
55.01858	4.6
57.03435	5.5
61.02924	3.2
63.31575	1.1
67.05479	2.1
69.03428	48.2
69.08984	8.0
69.09398	3.0
70.06593	1.3
71.01343	1.8
71.05000	11.2
71.59128	1.0
72.05877	1.0
73.02889	1.7
79.05499	2.1
80.50866	1.0
81.03416	31.8
81.07063	2.7
82.03729	1.3
83.01348	2.4
83.05003	2.4
84.08141	1.6
85.02905	52.3
86.03213	2.4
87.00826	30.3
87.04474	5.9
89.48154	1.1
91.05471	1.9
93.07027	2.1
95.08584	1.8
97.02891	67.4
98.03293	1.6
98.23433	2.1
99.04453	27.2
101.02357	2.1
103.05447	1.4
105.01859	23.7
105.07040	10.9
107.05019	1.4
107.08573	2.1
109.02870	11.0
114.63176	1.2
115.03971	1.5
116.05025	1.3
119.08583	1.4
127.03912	100.0
128.04262	2.4
129.07053	1.4
136.07550	1.3
137.05984	3.7
143.08495	1.6
144.04401	1.8
145.04956	72.0
146.05273	2.2
151.07539	1.2
153.05516	1.1
158.10913	1.3
159.02884	1.7
167.07045	3.7
171.02924	2.8
171.97208	1.3
172.03960	9.0
173.13199	3.2
177.05478	1.1
181.04936	4.8
189.08943	1.2
191.14333	2.4
200.36978	1.1
203.87691	1.1
204.06572	15.0
208.14143	1.5
209.08058	2.8
213.03951	3.4
225.14882	2.3
226.15228	4.2
231.04987	56.5
232.05226	2.0
249.06044	21.4
288.61649	1.2
296.13440	1.2
357.14352	3.1
363.80005	1.3
388.15482	1.6
389.16092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01872	9.0
55.16090	0.7
57.03436	5.4
61.02930	5.2
68.99788	3.4
69.03429	36.3
70.03783	0.8
70.53779	1.5
71.04990	4.4
73.02917	6.9
79.05481	0.9
80.57726	0.8
81.02931	0.8
81.03419	22.6
85.02905	100.0
86.03244	1.5
86.09720	1.0
87.00832	45.7
91.03964	2.2
91.05511	1.1
97.02894	31.4
98.03232	0.9
99.04456	14.7
102.25565	0.7
103.03947	1.0
103.05504	1.4
105.01869	61.3
105.07041	10.4
108.04476	3.8
109.02881	28.5
110.03223	1.0
115.03938	2.3
117.01854	3.7
126.05503	1.5
127.03917	70.6
128.04251	1.5
129.01846	3.7
131.04941	1.0
137.06013	0.9
138.06346	0.9
145.04958	33.0
147.02893	3.0
159.02884	16.6
163.07574	1.3
167.07074	1.8
171.02838	1.3
172.09441	0.8
177.03973	1.0
177.05594	1.0
189.03946	3.5
213.03957	2.8
213.09213	1.8
230.06683	1.4
231.05006	18.5
232.05244	1.0
248.07709	0.7
249.06053	5.8
388.15567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2119
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
53.03942	0.7
55.01873	1.1
55.05517	0.7
56.60979	0.3
65.03941	0.6
67.05509	2.1
68.05026	0.8
68.05833	0.3
69.03438	4.0
69.07061	1.2
70.15382	1.4
71.05009	1.0
77.32465	0.3
79.05497	2.3
80.05013	0.9
81.03416	1.1
81.07066	2.3
82.06586	0.8
83.01336	0.9
83.04965	0.3
83.07365	0.8
85.02910	1.1
91.05477	3.4
93.07043	2.2
94.06588	0.4
95.04984	1.2
95.08614	1.1
95.70219	0.4
96.08141	5.0
97.21508	0.3
99.04466	1.0
103.41821	0.3
105.07034	1.8
106.06547	0.9
107.04963	0.4
107.08606	1.4
108.08133	0.4
109.06538	0.7
109.10161	0.5
111.08069	0.5
111.60023	0.3
115.05492	0.5
117.07037	0.6
119.04945	0.4
119.08604	1.0
120.08125	2.5
121.06512	1.0
121.10161	0.8
122.03658	1.3
122.09667	0.5
123.08070	0.5
124.11212	0.9
125.06032	0.5
127.03911	1.6
129.07011	0.5
130.06526	0.5
131.04897	0.4
131.08543	0.8
133.06471	0.6
133.10138	0.4
134.09651	0.8
135.11682	0.3
136.11235	2.0
137.05981	11.1
138.06317	6.4
138.12781	12.2
139.07596	0.5
141.05447	0.5
145.04825	0.4
145.06531	0.8
145.10143	0.4
147.06841	0.5
147.07994	0.4
147.11736	0.3
148.07596	1.5
148.11269	0.5
150.70807	0.3
151.03928	0.8
151.07530	0.4
155.03412	2.4
155.07054	0.9
155.08528	0.4
159.08102	0.7
160.07675	0.4
162.09131	1.4
162.12773	3.8
164.10757	0.4
164.14450	0.6
165.05452	1.0
165.09166	0.7
167.07071	2.0
168.07401	0.7
171.07971	0.4
173.06018	1.0
174.12781	1.0
175.07605	0.5
176.10832	0.5
176.14334	2.3
179.07024	0.8
181.04916	1.7
182.05319	0.9
183.06567	1.8
183.07965	0.4
187.11060	0.4
188.14339	0.5
189.09132	0.6
190.12225	0.4
197.09752	0.4
204.06569	0.5
204.13844	20.9
205.08656	0.5
205.14423	1.6
206.15446	0.7
207.06596	0.5
209.08150	0.4
215.10735	0.5
218.11842	0.5
221.08093	0.5
232.16875	0.6
233.08075	1.0
234.18536	0.6
247.09564	0.4
260.16476	4.8
261.17139	0.3
262.18033	0.5
263.09174	0.6
273.11243	1.4
275.12799	7.3
276.13232	0.6
285.11282	0.5
287.34009	0.4
341.17468	0.5
358.13821	1.8
360.21588	0.6
370.20230	0.8
388.15250	3.4
388.21185	100.0
389.14160	0.7
389.21500	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01854	2.5
55.05505	6.6
56.05036	2.1
57.03443	2.7
61.02918	3.0
62.09349	1.7
64.10482	2.1
65.03944	2.5
67.05508	15.5
69.03434	23.2
69.07057	7.2
70.06591	2.7
71.04964	2.3
71.29921	3.8
72.08152	12.0
73.08476	2.1
79.05486	7.7
81.03413	8.3
81.07067	8.6
83.04989	4.0
84.08159	3.6
85.02898	20.1
86.09707	20.6
87.00815	2.6
91.05479	20.1
93.07032	7.8
95.04982	17.6
95.08603	4.6
97.02881	4.3
97.06531	2.3
99.04430	3.0
103.03905	2.4
103.05492	3.6
105.03400	1.7
105.07031	60.9
106.07369	3.3
107.04985	3.4
107.08586	18.3
108.08235	1.8
109.02876	6.4
109.06501	4.9
109.10123	2.6
112.07586	4.3
117.07008	6.0
119.08578	84.3
120.08119	11.9
120.08875	3.4
121.10135	11.0
123.08038	2.7
124.07600	4.4
124.11182	2.3
127.03879	9.4
129.06993	4.1
129.10222	2.1
131.04874	2.4
131.08569	18.8
132.10133	1.9
133.10124	9.3
133.64958	1.7
135.08031	7.0
137.05977	3.9
137.09628	2.1
138.09103	2.5
140.07074	6.9
143.08601	10.5
144.09314	3.0
145.10152	17.3
146.10460	2.6
147.11684	91.2
148.11995	5.4
149.09628	5.1
149.13245	4.9
151.07538	2.7
158.10962	9.6
163.14848	2.5
165.12730	9.5
167.06998	7.4
173.13255	61.9
174.13597	4.9
178.08583	2.1
180.10205	4.1
182.08151	10.5
189.04005	1.9
189.12463	1.9
191.14313	100.0
192.14641	5.8
206.08073	5.1
209.15410	5.6
226.10759	9.6
226.14603	1.7
231.04898	2.0
248.09224	6.4
303.14023	2.1
339.55939	2.2
345.15161	8.2
357.13406	3.6
370.22125	2.2
388.12509	3.5
388.16992	2.6
389.13492	28.1
389.17825	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	388.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
55.05524	0.9
55.43604	0.7
56.04994	0.7
62.93993	0.7
65.19690	0.6
66.74717	0.7
67.05505	2.1
69.03429	1.9
69.07057	0.8
70.67843	0.9
70.68178	1.5
70.78366	0.6
71.04992	1.2
72.08162	1.1
73.06561	0.7
74.18851	0.7
79.05501	2.3
81.07033	0.8
83.05002	1.4
84.08174	1.1
85.02912	3.9
85.06538	2.2
86.09727	1.9
87.04461	3.2
89.06037	100.0
90.06393	1.5
91.05461	3.3
93.07053	1.5
95.04971	1.1
97.02894	1.7
103.05486	1.6
105.07024	2.0
106.29807	0.7
107.07067	1.6
107.08607	1.1
115.05452	1.8
117.07003	1.8
119.08591	1.4
120.08891	0.9
121.06600	0.7
121.10152	1.3
123.08080	0.9
128.06210	1.5
129.06999	1.1
131.04919	2.5
131.07031	1.1
131.08594	2.4
133.08612	56.2
134.08954	1.2
145.06462	0.7
145.10141	0.8
149.09622	1.5
153.07022	0.9
167.07059	1.0
167.10712	0.9
173.09618	1.3
177.11229	20.3
178.11543	0.9
190.13098	1.5
191.10663	1.2
207.13780	1.1
208.14165	2.2
209.11778	2.4
221.13890	3.2
226.15172	2.1
227.12846	1.9
239.14957	1.2
283.17630	1.9
327.20212	2.0
371.22781	16.7
372.23114	1.5
388.16617	3.6
389.17221	1.0
406.13586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53226	14.6
51.65883	13.3
67.05510	77.9
69.07076	21.0
71.31451	28.9
71.37425	15.2
79.05515	51.9
81.07068	100.0
83.08668	24.2
91.05491	42.7
93.07053	36.0
95.08614	33.3
97.06523	20.8
105.07073	39.9
107.08632	50.2
108.15913	14.6
117.07051	24.7
119.08594	21.8
121.10143	24.0
131.08586	24.9
133.10120	26.8
135.11656	16.3
149.09650	20.9
149.13303	39.6
177.12708	26.5
195.13835	85.0
213.14851	52.8
275.20151	72.0
344.17438	20.9
388.32483	27.2
389.22723	62.1
389.44604	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25058	10.6
58.93304	9.9
59.22870	9.3
60.85336	9.7
63.94539	8.7
66.00558	8.8
69.22166	24.7
69.22588	48.6
69.79288	8.8
71.04974	9.2
75.19357	9.2
79.05513	17.5
81.07082	20.1
85.02935	8.9
91.05478	19.9
93.07057	18.9
95.08617	23.2
97.21651	9.2
98.22597	18.6
98.61138	10.7
105.04533	8.9
105.07043	18.1
107.08636	16.8
109.06520	9.3
109.10168	12.7
113.70438	9.3
119.08610	17.2
129.10400	9.2
133.10129	13.1
137.06036	17.2
147.11606	10.5
171.11661	10.5
225.58549	8.5
242.07352	11.3
306.63022	9.0
388.16373	18.7
388.21579	100.0
388.26346	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	389.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.68343	1.7
55.01628	3.4
55.01874	35.5
55.05512	9.2
57.03436	2.5
57.07071	4.4
59.04995	2.1
59.80630	1.6
61.65882	1.5
65.03934	10.5
67.05512	16.4
69.03420	6.8
69.07060	12.5
71.04979	2.6
79.05490	14.7
81.03419	5.6
81.07061	27.2
82.04207	4.2
83.03607	1.6
83.04991	3.2
83.08611	7.3
83.15084	1.7
85.02921	13.5
85.06515	1.8
86.09702	1.8
87.00838	2.1
91.05486	15.7
93.03406	3.2
93.07052	15.3
94.04182	2.2
95.04984	10.8
95.08609	31.6
97.02882	3.7
97.06544	5.2
97.10143	1.7
98.23322	5.4
99.04452	4.3
103.05466	22.4
103.45958	1.7
105.07047	20.0
107.04958	11.6
107.08601	21.4
109.02863	2.9
109.06516	3.5
109.10152	17.8
110.03651	5.1
111.04433	4.8
111.08073	3.4
115.05476	6.2
117.07033	7.6
119.08589	28.0
121.06471	5.6
121.10161	18.0
122.03638	6.0
123.04433	9.3
123.11716	18.7
125.06023	4.3
127.03878	6.2
128.06227	5.2
129.07019	22.0
130.07803	2.3
131.04945	20.6
131.08571	26.1
133.06511	2.0
133.10123	20.7
135.08061	6.1
135.11693	10.2
137.05972	44.6
137.13263	8.1
138.03082	2.3
139.03925	2.2
139.07509	1.9
141.06064	1.7
141.06941	9.6
141.12717	3.5
142.02551	2.1
142.07782	3.7
143.08568	18.9
144.05605	2.1
145.06480	7.7
145.10129	45.6
146.07254	2.0
146.10490	2.2
147.04556	2.5
147.11697	11.6
149.06009	9.9
149.13290	5.3
149.86450	1.8
151.03937	3.5
151.07524	3.4
153.05542	3.8
155.07072	2.2
155.08588	6.9
156.05649	2.6
156.09367	5.8
157.06488	15.2
157.10121	19.4
158.07237	4.0
158.10945	2.0
159.08060	6.8
159.11716	21.5
160.05222	4.5
161.05948	4.2
161.13258	6.0
163.07559	15.2
163.14848	6.4
165.07001	2.2
165.12822	2.3
167.07057	27.1
167.08447	2.7
169.06441	4.3
169.10143	6.0
170.10864	8.4
171.06566	6.3
171.11720	15.3
172.05130	2.2
172.12378	2.4
173.05960	3.5
173.13298	10.7
174.06805	16.6
175.07523	20.3
175.14841	6.6
177.05489	32.5
177.09196	2.4
177.16354	6.0
179.07144	1.9
179.08641	2.5
181.04967	90.6
181.06171	3.5
181.08554	2.8
181.10138	4.9
182.05273	4.4
182.10898	2.3
183.06557	10.5
183.11697	20.5
184.12100	3.7
185.13258	36.5
186.06796	4.7
186.13686	3.0
187.07558	6.6
187.14835	70.5
188.15192	3.3
189.07285	3.9
189.09123	41.5
189.16389	12.5
190.07767	2.7
191.06985	3.8
191.08476	4.5
191.10684	4.6
191.17976	5.8
193.10234	2.8
195.11710	7.9
197.13213	9.8
198.13597	3.3
199.14857	16.1
201.09120	14.9
201.16356	25.5
203.10672	2.1
203.18030	4.5
205.06538	3.2
205.08557	3.4
206.07304	3.4
209.06201	2.3
209.08083	51.7
209.13318	7.5
210.08507	2.6
211.14838	10.5
213.16388	11.4
215.17990	10.7
217.06540	12.0
217.08665	9.2
218.07210	8.6
219.08107	8.2
219.10147	81.1
220.08679	2.2
220.10602	3.5
221.07950	3.6
223.14871	9.4
224.30496	2.0
225.09122	3.8
225.16423	6.4
227.07037	2.2
227.18031	3.1
232.08749	1.9
233.05850	3.3
233.09641	5.9
234.06682	12.0
235.07402	6.5
235.09631	3.4
237.09062	2.8
237.16379	10.7
239.17918	5.0
246.06706	3.6
247.07562	6.7
248.08377	3.2
249.09151	16.7
250.09784	4.8
251.17934	5.5
253.19553	3.3
261.09140	10.6
262.06238	3.1
262.09851	2.1
263.07022	4.9
263.10803	2.5
264.07828	4.2
265.08835	9.2
265.19501	3.2
266.09366	2.1
267.10144	2.2
267.21008	2.3
277.08606	23.7
277.19449	2.1
278.09286	7.5
279.10110	7.9
280.10889	3.8
281.11832	3.8
291.10266	2.3
293.08154	4.5
293.11722	5.5
294.08649	2.3
295.09689	5.8
307.09695	7.4
308.10391	2.3
309.11157	8.2
311.12766	3.6
319.24005	2.5
321.11304	7.3
327.12222	3.6
339.08572	2.8
339.12305	32.6
340.12567	4.2
341.13556	2.8
353.13968	3.6
357.13699	2.7
359.14835	3.7
360.79932	2.0
371.14883	30.7
372.14993	2.6
382.54419	1.9
389.16022	36.4
389.32043	100.0
390.15915	2.9
390.32300	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03944	2.5
55.01876	39.5
61.92572	1.2
65.03944	11.9
67.05509	3.6
68.33278	1.0
69.03429	3.5
71.04984	1.5
71.31357	1.5
71.31788	1.8
79.05499	5.2
81.03382	1.4
81.07077	2.6
82.04207	5.6
82.04612	1.1
85.02902	8.0
89.03917	1.4
91.05497	5.4
91.60247	1.2
93.03419	2.5
93.07063	2.4
95.04984	7.1
95.08627	4.1
97.02894	1.3
97.06551	3.7
103.05465	18.5
105.07048	3.5
106.04149	1.1
107.04965	9.2
107.08588	1.8
108.02069	1.9
109.10166	2.9
110.03672	5.3
111.04475	2.5
115.05463	2.9
117.06296	1.1
117.07046	3.7
119.08594	2.6
121.06521	4.5
122.03680	3.5
123.00820	1.2
123.04402	6.7
124.05194	1.5
125.05985	4.0
128.06242	3.9
129.06995	9.0
131.04927	19.7
131.08562	3.7
133.10135	1.6
135.08086	2.6
137.05983	36.4
138.03120	3.6
138.06310	1.8
139.03922	1.2
142.02621	4.1
143.08514	2.1
145.06540	6.3
145.10104	6.9
147.11732	1.5
149.05998	9.3
151.03819	1.6
151.07550	1.5
153.05496	4.8
155.07077	1.8
157.06505	7.5
157.10170	1.1
159.04446	1.9
159.08069	1.3
159.11641	2.3
160.05251	4.4
161.06013	4.1
163.03889	1.4
163.07526	9.9
166.02602	1.1
167.07053	27.5
171.06514	4.9
171.07817	1.1
171.11763	1.4
174.06812	4.3
175.07539	13.6
177.05475	41.1
177.09084	2.3
178.05869	1.4
179.07062	1.8
181.04958	100.0
182.05287	4.5
183.06577	2.3
183.11884	1.5
187.07521	2.7
187.14792	10.3
188.08356	1.4
189.09106	9.6
190.07755	1.1
191.07092	2.3
199.07581	1.8
201.16425	1.7
205.08510	2.0
209.08101	59.5
210.08315	1.3
217.06653	1.6
217.08626	8.8
218.07347	1.5
219.08173	2.0
219.10242	3.9
221.08058	2.0
233.09636	2.2
234.06844	1.9
235.09691	3.3
246.06952	1.1
247.07567	2.7
249.09093	4.7
250.09772	1.4
251.07140	2.0
261.09073	3.1
262.06244	1.2
263.07043	1.2
265.08517	1.7
276.07919	1.8
277.08554	9.6
278.09323	2.4
279.09930	1.0
281.11835	2.1
289.08484	1.3
293.11728	2.2
306.08777	1.5
309.11255	4.7
321.11282	2.6
329.14026	2.1
339.12158	11.4
341.13867	2.9
353.13754	3.0
359.11163	1.6
359.15231	1.8
371.14951	10.5
372.15302	1.6
389.15955	40.0
389.21036	2.0
389.27872	2.6
389.32431	6.0
390.16269	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.68343	1.7
55.01628	3.4
55.01874	35.5
55.05512	9.2
57.03436	2.5
57.07071	4.4
59.04995	2.1
59.80630	1.6
61.65882	1.5
65.03934	10.5
67.05512	16.4
69.03420	6.8
69.07060	12.5
71.04979	2.6
79.05490	14.7
81.03419	5.6
81.07061	27.2
82.04207	4.2
83.03607	1.6
83.04991	3.2
83.08611	7.3
83.15084	1.7
85.02921	13.5
85.06515	1.8
86.09702	1.8
87.00838	2.1
91.05486	15.7
93.03406	3.2
93.07052	15.3
94.04182	2.2
95.04984	10.8
95.08609	31.6
97.02882	3.7
97.06544	5.2
97.10143	1.7
98.23322	5.4
99.04452	4.3
103.05466	22.4
103.45958	1.7
105.07047	20.0
107.04958	11.6
107.08601	21.4
109.02863	2.9
109.06516	3.5
109.10152	17.8
110.03651	5.1
111.04433	4.8
111.08073	3.4
115.05476	6.2
117.07033	7.6
119.08589	28.0
121.06471	5.6
121.10161	18.0
122.03638	6.0
123.04433	9.3
123.11716	18.7
125.06023	4.3
127.03878	6.2
128.06227	5.2
129.07019	22.0
130.07803	2.3
131.04945	20.6
131.08571	26.1
133.06511	2.0
133.10123	20.7
135.08061	6.1
135.11693	10.2
137.05972	44.6
137.13263	8.1
138.03082	2.3
139.03925	2.2
139.07509	1.9
141.06064	1.7
141.06941	9.6
141.12717	3.5
142.02551	2.1
142.07782	3.7
143.08568	18.9
144.05605	2.1
145.06480	7.7
145.10129	45.6
146.07254	2.0
146.10490	2.2
147.04556	2.5
147.11697	11.6
149.06009	9.9
149.13290	5.3
149.86450	1.8
151.03937	3.5
151.07524	3.4
153.05542	3.8
155.07072	2.2
155.08588	6.9
156.05649	2.6
156.09367	5.8
157.06488	15.2
157.10121	19.4
158.07237	4.0
158.10945	2.0
159.08060	6.8
159.11716	21.5
160.05222	4.5
161.05948	4.2
161.13258	6.0
163.07559	15.2
163.14848	6.4
165.07001	2.2
165.12822	2.3
167.07057	27.1
167.08447	2.7
169.06441	4.3
169.10143	6.0
170.10864	8.4
171.06566	6.3
171.11720	15.3
172.05130	2.2
172.12378	2.4
173.05960	3.5
173.13298	10.7
174.06805	16.6
175.07523	20.3
175.14841	6.6
177.05489	32.5
177.09196	2.4
177.16354	6.0
179.07144	1.9
179.08641	2.5
181.04967	90.6
181.06171	3.5
181.08554	2.8
181.10138	4.9
182.05273	4.4
182.10898	2.3
183.06557	10.5
183.11697	20.5
184.12100	3.7
185.13258	36.5
186.06796	4.7
186.13686	3.0
187.07558	6.6
187.14835	70.5
188.15192	3.3
189.07285	3.9
189.09123	41.5
189.16389	12.5
190.07767	2.7
191.06985	3.8
191.08476	4.5
191.10684	4.6
191.17976	5.8
193.10234	2.8
195.11710	7.9
197.13213	9.8
198.13597	3.3
199.14857	16.1
201.09120	14.9
201.16356	25.5
203.10672	2.1
203.18030	4.5
205.06538	3.2
205.08557	3.4
206.07304	3.4
209.06201	2.3
209.08083	51.7
209.13318	7.5
210.08507	2.6
211.14838	10.5
213.16388	11.4
215.17990	10.7
217.06540	12.0
217.08665	9.2
218.07210	8.6
219.08107	8.2
219.10147	81.1
220.08679	2.2
220.10602	3.5
221.07950	3.6
223.14871	9.4
224.30496	2.0
225.09122	3.8
225.16423	6.4
227.07037	2.2
227.18031	3.1
232.08749	1.9
233.05850	3.3
233.09641	5.9
234.06682	12.0
235.07402	6.5
235.09631	3.4
237.09062	2.8
237.16379	10.7
239.17918	5.0
246.06706	3.6
247.07562	6.7
248.08377	3.2
249.09151	16.7
250.09784	4.8
251.17934	5.5
253.19553	3.3
261.09140	10.6
262.06238	3.1
262.09851	2.1
263.07022	4.9
263.10803	2.5
264.07828	4.2
265.08835	9.2
265.19501	3.2
266.09366	2.1
267.10144	2.2
267.21008	2.3
277.08606	23.7
277.19449	2.1
278.09286	7.5
279.10110	7.9
280.10889	3.8
281.11832	3.8
291.10266	2.3
293.08154	4.5
293.11722	5.5
294.08649	2.3
295.09689	5.8
307.09695	7.4
308.10391	2.3
309.11157	8.2
311.12766	3.6
319.24005	2.5
321.11304	7.3
327.12222	3.6
339.08572	2.8
339.12305	32.6
340.12567	4.2
341.13556	2.8
353.13968	3.6
357.13699	2.7
359.14835	3.7
360.79932	2.0
371.14883	30.7
372.14993	2.6
382.54419	1.9
389.16022	36.4
389.32043	100.0
390.15915	2.9
390.32300	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1592
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03925	1.9
55.01874	38.6
57.03444	0.7
65.03936	9.2
65.74968	0.7
66.92523	0.7
67.05495	4.5
68.99799	0.9
69.03414	1.9
79.05496	4.1
81.07042	0.8
82.04201	4.2
85.02901	5.8
89.03893	1.0
91.05463	3.5
93.03379	2.4
94.04195	1.9
95.04950	5.1
97.02882	1.5
97.06503	3.1
98.23460	1.5
103.05462	17.1
105.07036	1.3
106.04169	0.7
107.04288	0.9
107.04962	9.8
108.02069	2.2
109.06518	1.3
110.03666	5.1
111.04453	1.8
115.05462	1.6
117.07014	1.3
119.04951	1.2
121.06516	4.8
122.03646	2.4
123.00764	1.0
123.04454	4.8
124.05229	1.2
125.05999	4.5
128.06184	2.3
129.07001	7.7
131.04936	17.6
131.08545	1.3
132.05243	1.0
133.06453	1.2
135.04340	0.8
135.08038	1.8
137.05977	33.8
137.28575	0.8
138.03102	3.3
138.06334	1.1
139.03952	1.0
140.04659	1.4
142.02628	3.9
145.06506	3.9
147.04358	0.9
149.05974	12.0
151.03923	1.1
151.07550	1.1
152.04607	1.1
153.05479	4.5
155.07033	1.3
157.06488	8.1
159.04407	2.2
159.65327	0.7
160.05167	2.5
161.05965	2.7
163.03938	1.2
163.07527	11.2
167.07048	23.8
168.07445	1.0
171.06570	5.0
173.05920	1.5
174.06792	3.4
175.07545	15.0
177.05473	37.0
177.08899	1.4
177.80360	0.7
178.05794	1.0
181.04953	100.0
182.05287	3.1
183.06499	2.9
185.05946	1.7
187.07555	2.2
188.08377	0.9
189.07425	1.4
189.09081	9.6
191.07040	1.8
203.08582	0.9
205.08623	2.6
206.07166	0.8
209.08087	55.2
210.08411	1.9
217.06474	1.9
217.08618	8.0
218.07213	1.6
219.08026	1.9
219.10156	1.9
221.08157	2.3
223.07487	0.8
229.69882	0.8
233.05956	1.0
234.06752	3.5
235.07520	1.4
235.09647	2.6
247.07524	1.9
248.08496	1.1
249.09048	5.2
250.09828	1.2
261.09229	3.5
262.06323	1.1
263.06979	1.3
264.07886	1.0
265.08658	1.1
266.09222	1.0
267.10306	0.8
277.08636	6.7
278.09189	2.6
279.06448	0.7
279.10138	2.0
281.11816	1.0
289.08685	1.2
293.11646	1.9
307.09586	0.9
309.11096	3.9
311.12750	1.3
321.11176	3.3
326.11572	1.0
329.13867	1.7
339.12219	8.3
340.12872	1.3
341.14032	2.9
353.13898	1.3
357.13144	1.2
359.14886	3.3
371.14929	8.4
372.15366	1.3
389.15948	35.9
390.16159	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66112	1.5
53.03945	3.0
55.01875	47.8
55.05512	2.7
65.03953	13.3
67.05495	9.7
68.08130	1.8
69.03426	3.5
69.07069	4.4
70.06609	3.0
71.31300	2.3
74.99297	1.5
79.05479	8.7
81.03416	2.9
81.07078	4.3
82.04217	3.2
84.08179	2.2
84.45596	1.7
85.02914	7.1
86.09721	4.3
87.10080	2.6
91.05491	9.3
93.03429	2.8
93.07043	4.8
95.04974	10.7
95.08616	4.5
97.02898	1.7
97.06521	3.9
98.10333	1.9
103.05470	22.5
105.07038	5.9
107.04951	12.0
107.08619	2.1
108.02016	1.9
109.10190	2.5
110.03674	5.4
111.04453	5.5
114.09158	1.7
115.05472	4.9
117.07047	4.7
119.08583	4.5
121.06514	5.5
121.10143	2.3
122.03674	7.0
123.04455	10.0
124.05244	1.9
125.06018	3.9
128.06236	5.5
129.07019	15.0
131.04941	22.3
131.08569	11.7
133.06487	3.6
133.10146	4.2
135.04439	2.7
135.08061	4.8
137.05977	53.6
137.09645	1.7
138.03162	2.4
138.06339	2.6
140.04636	3.4
140.32060	1.8
141.04788	1.6
141.06989	6.0
142.02635	5.8
143.08540	3.2
145.06512	7.7
145.10147	7.1
147.04413	2.9
147.11990	1.6
149.05995	13.7
149.09610	2.2
151.03894	4.5
153.05513	5.5
155.07133	2.1
157.06497	13.9
157.10129	3.3
158.07265	3.7
159.04413	2.5
159.08051	4.1
159.11734	5.8
160.05243	4.8
161.05956	2.9
163.07539	16.7
165.05508	2.6
167.07068	32.1
168.07376	2.2
169.06458	3.9
171.06526	6.0
171.11771	2.8
173.13335	2.9
174.06798	16.0
175.07549	22.0
177.05484	37.2
178.06058	2.0
181.04973	100.0
181.06363	4.1
182.05284	4.7
183.06578	9.4
183.07977	1.8
183.11703	3.4
185.13287	4.1
186.06721	3.1
187.07591	5.2
187.14822	7.9
189.07114	5.0
189.09088	32.4
190.07816	3.3
191.06993	3.7
191.08603	2.7
191.10646	2.4
199.07500	2.1
201.09143	7.1
201.16437	2.9
203.08629	2.5
205.06660	2.2
205.08644	5.0
206.07220	4.2
209.08081	60.3
217.06483	5.7
217.08620	10.1
218.07216	7.4
219.08101	5.6
219.10161	49.0
220.10623	2.6
225.05266	1.8
225.09021	3.0
227.06985	3.2
232.08881	2.4
233.09669	4.3
234.06802	6.1
235.07565	5.2
235.09695	4.0
237.09225	2.5
241.08543	1.9
243.55284	1.9
247.07547	5.2
249.09119	10.2
250.06256	2.5
250.09798	2.7
251.07085	2.3
251.10770	3.3
261.09039	11.4
262.06329	3.4
262.09750	2.5
263.07016	6.2
263.10571	2.4
265.08621	7.4
277.08633	24.4
278.09375	6.7
279.10196	6.8
287.47977	1.8
289.08575	2.2
291.10184	5.3
293.08322	3.0
293.11807	7.4
294.08746	2.7
306.08868	2.2
307.09552	2.4
309.11243	11.9
310.11905	2.2
311.12817	4.7
311.20270	1.8
321.11252	6.0
339.12317	25.9
339.55478	2.0
340.12704	2.9
341.13699	4.9
353.13876	4.2
357.13278	2.2
371.14972	24.6
372.15100	2.6
386.85876	2.0
389.11978	8.7
389.16208	38.4
389.23996	3.2
389.32205	8.3
390.16278	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	389.1708
Annotation	GS-3
Peak:m/z	Relative Intensity
53.03935	0.4
55.05491	0.3
62.38447	0.3
65.03938	0.5
67.14955	0.3
69.03451	0.3
70.57489	0.7
79.05496	0.4
81.07063	0.5
89.03920	1.7
91.05479	1.1
92.05024	0.3
93.07055	0.7
94.06577	0.6
95.08604	0.6
96.08147	1.0
105.07027	0.3
107.08530	0.4
108.08099	0.8
109.10159	0.4
110.09696	1.6
116.04986	7.8
119.08575	0.5
120.08140	1.5
122.06036	1.7
131.08568	0.9
133.10143	0.4
136.07576	1.6
137.05969	0.7
138.09163	1.7
142.07845	0.3
143.08539	0.3
144.04451	17.6
145.05264	0.3
145.10126	1.3
147.04367	0.4
159.11734	0.8
162.05513	5.8
166.08643	3.7
167.07063	1.2
169.10138	0.3
171.03062	0.3
171.11693	0.4
172.03944	59.8
173.04303	2.5
174.05469	0.3
176.07094	0.3
181.04962	0.7
183.11650	0.5
185.13289	0.9
187.14803	1.8
190.04948	0.4
195.11674	0.4
197.13390	0.4
204.06570	100.0
205.06898	3.3
209.08061	0.5
215.14322	0.4
273.12180	0.4
275.85086	0.3
285.11032	0.3
325.11389	0.5
339.13327	0.8
357.14450	17.9
358.14850	1.5
371.27658	0.3
389.21411	1.8
389.28433	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	389.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01871	41.8
55.05505	11.4
56.20849	1.8
57.03427	3.4
57.07066	2.1
61.02922	17.0
61.49377	1.5
65.03927	2.1
66.50336	2.0
67.05505	22.4
69.03422	4.9
69.07066	34.5
69.28812	4.6
69.29217	9.0
71.04990	11.9
71.37634	1.7
73.02918	26.8
73.06548	3.1
79.05492	16.4
81.07057	64.5
83.01347	5.3
83.04988	18.9
83.08614	5.3
85.02935	2.0
85.06528	9.4
86.09740	2.0
91.05483	18.9
93.07044	61.7
95.04966	27.6
95.08604	30.4
97.06522	30.6
99.04478	10.1
101.02380	38.2
105.07034	37.6
107.04981	3.2
107.08593	25.2
109.06519	17.2
109.10149	9.2
111.08083	80.7
113.06040	3.4
115.03929	5.1
119.03429	3.0
119.08564	18.4
121.06501	22.3
121.10132	8.1
123.04398	3.0
123.08062	8.6
123.11699	29.1
124.12032	1.9
125.05981	8.3
127.07574	4.4
129.07031	2.5
133.04988	6.6
133.06509	2.1
133.10133	27.5
135.08063	10.6
137.05957	3.6
137.18491	1.7
139.07521	12.0
142.07817	3.1
143.03418	3.5
143.07034	2.7
145.10129	5.0
147.02916	2.7
147.08064	4.4
147.11702	38.6
148.12039	3.1
149.13272	2.8
151.07527	2.2
151.11174	23.8
157.08693	3.2
157.10143	9.1
159.06586	2.3
161.04446	95.6
161.13293	2.5
162.04848	2.1
165.12787	16.5
169.08702	3.7
169.12242	100.0
170.12611	4.0
171.11758	6.1
175.11168	29.2
181.04935	3.2
189.12773	10.0
191.14120	2.0
193.12238	45.6
194.12502	2.6
197.08075	2.2
199.11197	7.6
207.13820	5.5
211.13293	74.9
212.13599	4.5
217.12238	30.6
229.14349	27.5
235.13312	20.1
236.13683	2.6
243.08701	5.2
253.14404	7.7
259.08081	2.4
311.11276	1.7
311.14951	6.6
329.16232	2.7
335.14917	3.6
353.15860	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	389.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01870	40.4
55.05506	12.8
56.60839	1.8
57.03422	5.1
57.07075	2.5
59.23640	1.8
61.02924	15.3
61.86769	1.8
62.58465	1.9
65.03962	2.2
67.05505	18.2
69.03432	8.5
69.07059	21.3
71.04994	12.9
71.31165	3.4
72.71267	1.9
73.02914	18.8
79.05492	22.3
81.03411	3.7
81.07058	51.6
83.01337	4.1
83.04980	21.8
83.08625	5.6
84.01482	2.2
85.02903	3.7
85.06536	11.7
86.09711	3.1
91.05476	19.8
93.07039	61.2
95.04971	24.0
95.08604	28.2
97.02911	4.0
97.06532	27.6
99.04448	34.4
99.08084	2.2
101.02374	33.2
105.07031	42.1
106.07333	2.8
107.04951	4.2
107.08591	35.7
109.06512	18.3
109.10133	9.2
111.04501	2.1
111.08073	46.8
111.24139	2.7
113.05997	4.0
115.03954	6.4
115.07594	2.2
116.32497	2.1
117.07024	4.6
119.04884	2.4
119.08580	18.2
121.06517	33.3
121.10152	10.0
123.04443	2.6
123.08101	8.5
123.11699	27.1
125.06007	11.6
125.09593	2.5
127.03930	4.4
127.07557	5.9
129.07028	3.9
131.08574	7.9
133.04980	4.9
133.06503	5.1
133.10120	29.6
135.08047	14.0
135.11722	3.8
136.07571	9.6
137.05972	8.5
139.07561	12.5
139.11154	2.1
141.05388	2.5
142.07808	4.4
143.07124	3.4
143.08578	5.5
145.06512	2.7
145.10141	11.8
146.06076	1.8
147.02888	2.7
147.08032	4.2
147.11678	43.0
149.09634	2.9
149.13255	5.4
151.03862	2.1
151.07555	4.5
151.11169	16.2
157.08899	2.5
157.10120	11.9
158.07391	2.0
159.06558	1.8
159.11676	2.4
161.04457	100.0
161.09639	4.6
161.13255	7.1
162.04810	2.3
163.11205	12.5
165.07352	2.3
165.12738	18.2
167.07092	4.0
167.10667	4.7
169.08617	11.4
169.12239	59.2
171.11719	6.9
173.09608	2.6
173.13243	5.7
175.07553	2.8
175.11157	32.3
177.39578	2.0
181.04936	4.3
181.12270	4.6
183.13849	5.8
187.14835	3.6
189.12721	13.8
191.10635	4.7
191.14279	3.5
193.12241	42.5
199.11110	9.9
207.13811	8.1
209.11679	2.4
209.15366	7.9
211.11252	3.4
211.13278	53.0
212.13655	2.5
217.12238	33.3
227.12787	6.6
227.16388	13.7
229.14317	12.4
235.13300	25.3
243.08655	5.9
253.14333	14.1
293.13895	4.6
311.14908	8.5
329.15927	2.1
335.14899	4.3
353.16052	10.2
357.10724	3.7
389.12952	3.0
389.28397	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	36.0
55.05515	37.3
57.03436	9.7
57.07064	16.5
61.02884	4.8
65.03946	10.1
67.05500	17.5
69.03419	26.5
69.06720	9.8
69.07069	100.0
70.06593	5.7
70.58346	10.8
70.58694	6.1
71.04971	8.6
79.05496	18.1
79.98119	4.6
81.03428	10.3
81.07065	21.7
82.63162	5.7
83.08615	43.9
85.02932	29.3
85.06528	6.2
87.00829	6.1
91.05482	13.7
93.07039	17.7
95.04965	14.2
95.08595	16.8
97.02912	24.5
97.06534	9.2
103.05473	18.9
105.07037	12.3
107.04977	13.0
107.08594	17.4
110.03657	7.8
115.03923	39.6
117.06985	6.7
119.08559	10.7
121.06484	4.6
121.10134	8.3
123.04454	6.5
123.08077	6.3
123.11692	5.0
125.13323	5.7
129.07007	16.5
131.04883	24.7
131.08569	12.9
133.04945	9.5
133.10114	12.5
135.08080	6.4
137.05959	35.9
145.06430	6.3
145.10162	6.3
147.11720	5.2
149.06036	11.8
151.03886	11.3
153.05502	8.6
157.06523	11.2
159.11682	7.2
161.04437	18.5
163.07500	12.3
165.12582	6.0
167.07027	31.1
169.12218	6.3
171.11696	6.3
174.06787	9.8
175.07515	19.9
177.05452	27.0
181.04968	80.5
181.06470	9.8
187.14848	8.5
189.06949	5.2
189.09119	25.6
191.06975	8.3
205.06573	6.8
209.08032	41.8
217.06413	11.1
217.08450	6.9
219.10175	30.0
234.06729	8.5
249.08980	8.2
259.18933	5.4
261.09122	6.0
277.08588	12.0
291.10278	6.7
321.11639	7.0
339.12292	22.4
342.16211	6.2
371.14960	15.4
389.11646	5.3
389.15982	38.0
411.48651	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	389.2165
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03952	2.0
55.01878	2.6
55.05518	3.5
57.03435	4.2
61.02926	3.0
67.05507	8.8
69.03422	11.6
69.07062	5.8
69.54372	10.7
71.04604	2.5
71.04995	35.4
72.08147	2.3
79.05501	8.2
81.03432	7.5
81.07053	12.5
83.04990	4.3
83.08644	3.4
84.08138	2.5
85.02902	21.9
85.06537	13.8
91.05497	6.5
93.07048	11.3
95.04970	6.3
95.08615	6.7
97.02894	7.4
97.06555	4.7
99.04450	100.0
101.02359	2.8
102.45014	1.7
105.07035	8.7
107.08598	20.8
109.02879	4.1
109.06536	5.3
109.10162	9.3
111.08071	4.9
113.09631	4.8
118.26842	1.7
119.08579	6.9
121.06516	3.3
121.10133	11.2
123.08053	12.2
123.11709	12.1
125.09653	6.0
127.03938	6.4
131.08514	1.8
133.10121	14.6
135.08038	2.8
137.06003	4.5
139.11150	4.3
140.10695	1.8
141.09215	1.8
143.07245	2.0
143.08472	2.8
145.04976	2.1
145.10168	5.3
147.11710	5.6
149.09625	3.3
149.13220	5.6
151.03880	2.2
151.07530	3.0
151.11194	4.2
153.09119	2.3
163.11142	1.9
165.12828	4.9
167.07031	3.5
167.10704	4.0
169.12236	19.8
170.12454	2.2
173.13211	9.4
175.07681	2.1
181.04947	3.8
181.12259	3.1
183.13799	28.7
191.10628	2.2
191.14409	3.5
193.12082	2.1
209.15335	17.3
219.10115	2.8
227.16403	65.3
228.16634	1.8
345.15225	6.0
389.14017	16.7
389.21387	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.06644	4.7
53.03947	6.8
55.01875	8.6
55.05514	19.5
60.04536	7.1
65.03942	6.2
67.05505	17.3
69.03418	10.2
69.07088	7.0
70.06599	14.5
70.68221	9.1
70.68544	5.5
71.04996	5.6
72.08156	100.0
74.06081	15.3
75.89635	4.7
79.05491	22.0
81.07052	31.2
83.04963	10.2
84.04503	8.4
84.08170	12.2
85.02919	13.2
85.06537	11.9
86.09709	67.4
91.05479	12.5
93.07058	41.9
95.04967	8.5
95.08597	28.8
95.10029	5.5
97.06527	11.3
99.08121	12.3
103.05486	7.0
105.07037	23.9
107.04980	11.3
107.08601	90.0
109.06519	13.4
109.10184	18.8
119.08593	24.1
121.06538	9.4
121.10133	41.6
123.08066	11.4
123.11709	7.2
129.10245	18.2
131.04924	11.2
131.08543	11.0
132.10245	6.3
133.10117	26.0
135.08040	13.2
135.11682	11.0
137.06001	10.5
137.09624	23.7
139.11195	14.5
143.11765	9.8
145.10126	11.7
146.39386	6.2
147.11713	10.0
149.09628	21.0
149.13246	46.0
151.11197	21.2
153.09187	7.1
159.07710	19.1
161.13229	5.7
163.14752	25.6
167.07063	14.4
167.10695	7.3
173.13228	35.5
175.07494	6.8
177.05475	7.1
181.04997	26.1
190.31856	5.3
191.14333	70.3
202.34497	5.3
203.07138	5.8
209.15359	52.5
210.15695	6.0
227.16399	69.0
228.16814	9.9
245.61937	6.0
258.14536	10.2
389.17783	10.3
389.24625	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	389.2171
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
55.01875	29.3
55.05510	23.1
58.31015	16.0
60.04519	18.5
67.05491	31.8
69.03442	37.4
69.07078	19.7
70.53312	56.2
71.05001	29.9
74.40148	17.6
79.05490	38.3
81.03424	23.4
81.07058	31.8
83.04978	31.9
83.06091	42.3
85.02913	100.0
86.09724	81.8
87.00828	19.6
91.05500	57.3
93.07034	60.1
95.04967	20.8
95.08614	30.1
96.27767	16.9
97.02886	44.6
97.06509	19.2
99.04453	57.1
99.08103	23.3
103.05471	31.4
105.01841	17.6
105.07038	37.7
107.04936	20.9
107.08591	59.3
109.02882	34.8
109.06525	23.1
109.10148	35.8
121.06528	47.6
121.10187	28.1
123.08078	32.9
125.06030	26.1
125.09581	24.8
127.03905	68.6
131.08578	38.6
133.10104	42.1
135.08034	22.7
137.05997	51.7
139.11243	19.2
145.04951	33.9
147.11676	28.4
149.09602	52.7
149.13226	22.2
151.11171	30.0
153.09114	24.8
159.02876	25.1
167.07060	52.5
173.13167	38.8
181.04964	71.8
189.09216	32.7
191.14320	58.5
196.14505	33.3
209.08083	39.6
209.15373	71.8
219.10107	30.0
227.16489	24.8
229.08632	16.1
265.09540	25.0
345.15256	37.2
381.67426	18.9
389.13974	67.4
389.21741	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	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05508	3.5
57.03425	2.3
60.04522	5.6
61.02925	2.2
67.05496	2.4
69.03428	6.1
69.07066	3.6
70.06595	3.6
70.77722	1.9
71.04990	4.5
72.08154	16.0
79.05488	2.9
81.03408	3.3
81.07058	4.6
83.04977	3.4
83.08569	1.5
84.04505	6.5
84.08151	6.6
85.02901	11.3
85.06519	1.6
85.70324	1.2
86.09709	18.6
87.04394	1.4
91.05473	4.1
93.07071	6.6
95.04975	14.9
95.08612	4.0
97.02876	4.1
97.06549	1.5
99.04465	2.3
100.73062	1.2
102.05547	2.2
105.07041	2.3
107.08591	4.8
109.02891	1.9
109.06496	3.9
109.10164	4.5
111.08037	3.0
121.06507	1.3
121.10149	5.2
124.07594	3.0
125.09607	1.7
126.31748	1.4
127.03912	3.2
129.10220	1.8
131.08566	1.4
132.10202	1.7
133.10138	5.7
134.94096	1.1
135.08080	2.3
137.05936	1.6
139.11186	1.7
141.05455	1.6
143.11775	1.9
145.05016	1.8
147.11653	1.9
149.13243	1.8
151.07639	1.6
151.11201	2.2
153.09088	3.8
157.13367	3.2
171.10143	6.8
171.11446	1.5
173.13274	4.0
185.12862	1.8
191.14348	3.2
203.05275	1.6
205.11810	2.1
209.07918	1.5
209.15363	14.7
227.08862	4.1
227.16408	17.4
259.08014	2.4
273.09769	1.7
327.14130	6.6
345.15109	3.1
371.16599	4.0
389.13904	40.0
389.17816	100.0
390.18753	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	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21196	1.0
51.78112	0.9
55.05515	1.5
56.74520	1.0
57.07079	1.3
67.05499	1.9
69.07081	1.9
69.56203	1.8
69.56609	3.5
70.06589	3.6
72.08163	1.1
79.05495	1.5
79.85704	0.9
81.07072	2.1
83.08625	1.5
84.08170	1.5
88.07612	1.8
91.05470	1.6
93.07040	3.3
95.05016	1.2
95.08613	3.5
102.09206	1.2
105.07025	1.5
107.08603	2.7
109.10171	2.1
119.08596	3.5
121.10137	2.3
123.11710	1.6
131.08583	1.6
132.10201	1.1
133.10121	1.1
135.11662	1.7
143.08598	1.1
145.10124	1.5
146.11794	1.1
148.11964	1.0
149.09645	1.1
157.10129	2.2
159.11705	1.7
173.13297	1.2
175.15027	1.3
189.16347	1.5
191.51424	0.9
195.11855	1.0
284.29367	2.2
328.31967	4.9
349.16782	5.7
371.26312	1.3
389.12378	5.0
389.22961	100.0
390.23096	7.5
390.35791	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64086	1.6
60.76541	1.6
69.34129	10.5
75.41827	1.6
79.05504	1.8
90.70052	1.6
91.05556	2.7
107.08580	1.7
109.10118	2.2
115.97390	1.6
119.08531	1.7
141.92360	1.9
209.99646	1.7
239.11720	1.8
245.92775	1.8
303.19604	2.6
323.49258	1.9
371.25580	100.0
372.25922	9.6
389.26740	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	389.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.6
57.07072	8.3
57.22712	0.6
63.16600	0.6
65.03934	1.8
67.05499	2.5
67.61554	0.7
69.07068	13.2
71.08627	9.4
71.32564	1.1
76.84894	0.7
79.05448	0.6
81.07045	2.8
83.08616	0.7
91.05471	1.3
93.03323	0.7
93.07037	2.6
95.08601	5.1
97.10123	0.9
105.07059	1.2
107.08592	2.9
109.10151	2.5
111.11733	1.6
119.08587	2.6
121.02876	6.1
121.03771	0.8
121.10154	1.7
123.11722	1.1
131.08656	0.7
133.10112	1.3
135.11688	0.8
145.10159	0.8
149.02342	100.0
150.02713	4.1
159.11729	1.4
161.13248	0.7
163.03926	0.9
167.03401	10.8
168.03789	0.9
173.13271	0.9
183.11667	1.1
189.16336	0.9
190.05061	0.9
195.11726	1.0
237.16423	0.8
251.17979	2.1
327.24307	0.8
345.12012	0.8
350.58194	0.8
373.14499	1.1
374.15115	1.1
389.14328	1.2
389.17868	8.3
389.27399	0.7
389.31848	11.5
390.18436	1.9
390.32001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62643	4.2
65.31507	4.1
70.86914	4.7
71.35690	3.5
72.37544	3.5
79.05498	6.0
80.63061	4.0
85.02891	5.7
91.05493	5.9
103.05479	8.9
105.07038	41.2
115.05443	11.9
118.04147	5.9
133.06493	50.2
161.05975	100.0
193.08615	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72225	6.8
57.75180	7.7
60.04541	9.2
65.88828	7.7
69.03446	8.0
69.36538	7.2
70.66946	18.9
71.84710	7.8
79.05512	8.7
85.02894	25.7
95.39526	7.8
96.08147	8.1
98.29723	8.5
102.29899	8.0
103.05490	8.5
105.07040	78.8
115.05477	15.1
124.07582	40.6
133.06480	54.2
151.07620	8.9
161.05997	100.0
164.10640	13.2
193.08623	59.1
196.44574	7.4
210.11261	10.8
211.09642	22.9
212.09975	10.3
228.12332	59.4
294.01062	9.1
298.35114	8.9
301.31900	7.9
341.02887	7.5
390.17993	34.7
391.15573	10.3
406.90506	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01871	2.6
60.04520	4.1
60.71786	1.4
67.05505	3.6
69.03437	4.0
69.36732	6.1
69.37133	4.9
79.05505	7.8
80.05045	1.6
81.03407	2.1
81.05814	4.5
81.07072	3.4
84.08161	3.0
85.02929	6.7
86.09730	4.2
91.05500	7.0
95.04975	2.3
95.08673	1.8
96.08123	14.7
96.08567	1.3
97.02871	2.4
97.08508	1.6
98.22662	3.1
105.07018	16.1
106.06573	2.8
107.04984	6.3
109.02853	1.7
115.05459	3.9
118.04214	1.8
123.04444	1.9
124.07588	100.0
124.78530	1.6
125.06024	2.9
125.07980	3.0
127.03946	3.4
131.04947	2.2
133.06470	17.8
137.05978	3.1
138.05489	2.3
138.09175	4.1
147.08034	2.6
161.05981	25.5
164.10686	1.9
166.04993	2.5
175.07524	1.8
176.27562	1.7
181.04936	2.2
182.11784	1.7
193.08600	17.1
210.11339	2.5
211.09700	2.5
228.12370	10.2
285.64371	1.7
346.15594	1.7
373.23816	1.7
390.13547	3.7
390.18262	56.5
391.18625	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	390.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	19.3
67.05510	50.7
69.07054	16.2
69.37219	23.5
71.05004	4.9
71.08627	12.5
79.05486	29.6
79.14777	4.0
81.07058	60.0
83.08626	36.0
91.05480	20.6
93.07050	34.3
95.08595	21.7
97.06548	9.5
99.08089	7.8
105.07034	11.2
107.08590	20.1
111.08060	12.9
117.07027	7.6
119.08570	7.9
121.06525	6.0
121.10147	13.1
123.11725	5.3
131.08585	10.2
133.10152	14.5
135.11708	21.5
149.02351	15.1
149.13255	36.2
151.11232	7.5
159.11676	21.2
177.12752	10.1
195.13805	100.0
196.14133	4.5
213.14880	45.5
277.21619	23.1
287.29962	4.3
295.22736	10.7
391.25186	5.3
405.20755	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	391.1574
Annotation	Chidamide
Peak:m/z	Relative Intensity
54.94682	0.4
55.05497	0.4
56.25842	0.4
57.52096	0.4
61.88847	0.4
63.27770	0.4
69.55408	2.1
70.06580	1.6
71.08633	0.5
72.08158	0.7
82.74673	0.4
84.04498	0.5
84.08106	0.5
85.02928	0.5
86.09705	1.4
86.20963	0.4
98.23446	0.4
111.64585	0.4
120.08106	1.1
127.03847	0.4
129.10222	0.7
137.05920	0.5
149.02350	1.9
167.07027	2.1
259.11536	1.3
336.45972	0.5
339.80353	0.4
391.15729	100.0
392.16068	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	391.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01864	7.8
55.05506	8.2
57.03428	2.9
57.07063	3.6
61.02938	3.5
67.05517	4.3
68.99813	3.0
69.03126	2.9
69.03432	29.9
69.07057	2.2
71.04995	38.2
71.31116	2.3
71.31488	2.5
73.02918	4.6
73.06551	6.7
79.05490	6.5
81.03421	30.8
81.07051	7.2
83.04983	10.0
83.08629	6.6
85.02907	56.4
85.06558	12.8
87.00839	22.1
91.05475	5.5
93.07082	3.9
95.04971	22.4
95.08611	5.6
97.02902	22.9
97.10184	13.0
99.04453	9.8
105.01878	16.9
105.07048	5.2
107.04906	2.3
107.08590	43.0
109.02881	21.6
109.06551	2.5
109.10159	5.5
117.01814	3.3
119.67583	2.3
123.08089	2.9
125.09634	81.8
126.09992	4.8
127.03936	34.1
129.01833	4.7
131.08585	4.4
137.06038	4.0
137.09612	4.2
143.09558	5.2
143.10680	100.0
145.04958	10.6
145.10207	5.1
149.02263	4.2
159.02872	16.2
159.11734	2.6
167.10709	17.1
173.09535	3.4
189.04053	2.7
191.10765	2.4
209.11771	2.6
233.11703	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	391.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01867	7.2
55.05517	6.2
57.03427	5.4
57.07071	4.0
61.02927	4.5
67.05503	5.0
68.99796	3.9
69.03432	23.5
69.07053	2.2
71.04994	36.1
71.31208	1.9
73.02917	4.1
73.06570	3.0
79.05492	4.5
81.03419	22.3
81.07052	5.5
83.04982	12.0
83.08611	5.2
85.02906	53.0
85.06535	14.6
86.03271	1.4
87.00828	22.1
91.03953	1.9
91.05476	4.5
93.07050	3.6
95.04972	18.7
95.08617	5.7
97.02891	18.9
97.10168	12.3
99.04459	11.1
102.33431	1.1
103.03983	1.8
105.01854	14.3
105.07043	5.3
107.07861	2.3
107.08593	43.0
109.02882	19.7
109.06499	1.7
109.10157	2.6
116.56624	1.2
117.01849	2.3
117.07011	1.3
117.26299	1.4
119.08580	2.8
123.04398	2.1
123.08032	2.0
125.09627	73.4
126.09985	3.2
127.03912	33.5
129.01846	4.7
131.08582	3.0
135.08072	1.8
135.11696	1.3
137.05971	3.7
137.09622	5.4
143.10674	100.0
144.11031	2.8
145.04976	12.5
145.10126	3.6
147.02902	4.3
149.02335	3.3
149.09596	2.0
151.07594	1.2
157.10153	1.4
159.02873	11.4
159.11723	2.2
161.05989	1.5
165.05676	1.6
167.10667	19.4
171.11827	1.5
173.09604	1.5
173.13280	1.4
179.07056	1.6
179.10710	1.7
185.13293	1.7
187.14807	1.9
189.03941	3.4
191.10696	3.4
209.11681	2.8
213.03864	1.3
217.15999	1.3
231.04962	4.1
233.11790	6.8
251.12701	1.7
257.50403	1.2
345.04788	1.5
391.30197	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05499	1.5
57.07079	7.2
58.06617	2.6
58.07398	1.1
67.05512	1.0
68.05030	0.9
69.07066	0.9
69.76966	2.2
70.06596	23.1
71.06937	2.7
71.08630	3.7
72.08156	2.0
79.05483	0.9
81.06602	0.6
81.07063	1.5
84.08154	1.8
85.10194	0.8
86.09732	3.1
87.10068	0.4
88.07636	9.2
89.06052	0.6
89.07964	1.2
91.05528	1.2
93.07058	1.4
95.04967	0.5
95.08610	2.3
102.09167	4.5
103.09499	0.6
105.07025	1.6
107.08578	1.2
109.06546	0.7
109.10148	1.1
114.09210	0.9
119.08604	1.2
121.10154	1.6
131.08560	0.7
132.10205	8.0
133.10443	1.8
134.70322	0.5
135.11668	0.7
136.60803	0.5
143.08548	1.0
145.10132	1.0
146.11758	7.5
147.12109	2.5
149.02362	4.1
149.09584	0.6
157.10121	1.1
159.11720	0.8
173.13139	0.5
183.11688	0.8
184.62558	0.5
240.26875	1.7
241.27254	0.9
242.75769	0.6
262.76160	0.7
266.28387	0.8
267.28708	0.9
282.64746	0.5
284.29565	7.8
285.29782	9.4
285.32843	0.7
328.32101	14.7
329.28510	1.1
329.32428	20.9
372.34634	0.9
373.23880	0.8
373.34906	1.0
390.35754	36.4
391.24570	100.0
391.36047	71.1
392.24844	9.4
392.36340	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03356	4.5
57.07072	4.5
67.48967	4.1
71.08619	5.0
71.31139	5.3
77.11082	4.4
89.17683	4.9
99.84685	4.6
104.65618	4.5
125.22895	5.6
148.83315	5.0
149.02354	44.1
201.27367	4.5
387.94177	6.3
391.20313	8.6
391.24634	100.0
391.35828	6.7
392.25052	7.5
394.72348	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	0.9
57.80341	0.5
67.05492	0.5
69.06216	2.9
69.06621	1.0
70.06590	1.5
96.96923	0.5
112.71291	0.5
121.10163	0.6
133.10118	0.6
149.02361	3.4
170.65845	0.6
252.29080	0.6
287.56888	0.6
315.16385	0.9
328.32178	0.6
329.32559	1.0
333.17303	0.9
369.19315	1.0
373.12137	3.8
390.35706	1.2
391.24548	100.0
392.24780	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76744	0.7
69.87679	2.9
70.27380	0.7
91.05444	0.7
95.04965	0.9
96.92273	0.8
98.91978	0.8
105.07062	0.8
119.08635	0.8
133.06502	0.9
149.02327	4.5
183.14465	0.8
267.23547	0.8
292.13947	0.8
329.32645	0.9
391.24539	100.0
391.35489	1.9
392.24860	8.4
399.23080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05505	1.0
57.07069	2.7
57.97243	0.4
58.68718	0.4
69.07074	1.0
69.12047	0.4
70.06596	4.3
71.06940	0.6
71.08644	1.1
71.22221	0.6
71.22578	0.5
71.88227	0.4
71.91670	0.5
72.08165	0.9
79.05501	1.0
81.06643	0.4
81.07054	2.6
83.08620	0.5
86.09695	0.7
86.91647	0.5
88.07635	1.9
91.05459	0.7
91.74426	0.5
93.07059	1.7
95.04974	1.1
95.08606	1.7
102.09175	0.5
105.07041	1.8
107.08601	1.3
109.10149	0.7
119.08557	1.5
121.10136	1.3
123.11707	0.8
131.08623	0.6
132.10208	2.1
133.10159	1.0
142.07756	0.6
143.08589	1.0
145.10106	1.2
146.11784	2.2
147.11783	0.6
149.02296	2.3
149.09589	0.6
157.10106	0.8
159.11708	1.0
159.26041	0.5
163.11137	0.6
165.32475	0.4
167.08928	0.6
167.10585	0.7
169.10181	0.5
171.11732	0.9
173.13309	0.7
173.24147	0.5
181.09930	0.5
193.10222	0.7
284.29599	0.9
285.29935	1.7
321.16885	1.2
328.32156	3.1
329.32379	5.9
373.25055	0.7
390.35803	6.1
391.24561	100.0
391.35864	17.3
392.24945	8.8
392.36575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
57.07078	0.6
67.05503	0.9
67.10378	0.3
69.07068	0.9
69.09872	0.4
70.06591	1.0
71.30762	0.5
72.08130	0.4
75.48972	0.4
78.27334	0.4
79.05491	0.7
81.07074	2.1
91.05460	1.2
93.07051	1.6
95.04964	0.6
95.08624	1.8
97.06573	0.4
105.07024	1.1
107.08606	1.9
109.06504	0.5
109.10175	1.3
115.54823	0.4
119.08573	1.5
121.10146	1.1
123.11758	0.7
131.08553	0.6
133.10114	1.0
135.08043	0.4
135.11713	0.8
141.59068	0.4
143.08606	0.8
145.10149	1.1
147.11736	0.4
149.02322	2.4
155.08525	0.7
157.10127	1.0
159.08121	0.4
159.11703	0.7
161.09549	0.4
161.13225	0.9
163.07458	0.4
169.10094	0.4
171.11694	0.6
173.13242	0.6
175.14790	0.5
183.11726	0.7
185.13275	0.5
187.14815	0.8
197.13301	0.6
199.14874	0.8
204.03444	0.4
207.11763	0.5
211.14877	0.5
233.13228	0.4
268.16507	0.4
296.21005	0.4
328.32166	0.6
329.32458	0.5
333.17334	0.8
355.26392	0.5
373.12137	2.1
390.35794	1.2
391.24545	100.0
392.24829	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	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	5.5
55.05512	15.0
57.07089	6.8
58.24800	1.4
59.05017	2.5
65.03970	3.1
67.05505	21.5
69.03429	3.8
69.07073	11.4
69.10270	14.2
71.05011	2.3
79.05497	23.1
79.26093	1.6
81.07057	35.9
83.05000	4.6
83.08649	6.1
85.06556	4.6
91.05482	37.9
91.05998	2.9
93.07050	44.0
93.07601	2.7
95.04967	32.0
95.08599	26.2
97.06557	5.7
103.05482	3.9
105.07034	71.4
106.07358	1.7
107.05013	3.2
107.08594	27.5
109.06498	11.0
109.10172	12.8
114.12276	1.7
115.05498	5.1
117.07036	15.5
119.04945	2.2
119.08586	63.2
119.09436	3.2
120.08925	2.2
121.06501	12.2
121.10152	24.9
123.08105	4.8
123.11754	4.9
128.06207	11.3
129.07013	16.1
130.07765	8.8
131.08589	22.4
133.06577	2.4
133.10127	24.3
135.08130	7.0
135.11740	5.4
137.09647	2.9
141.07001	8.4
142.07780	17.9
143.08582	32.6
144.09354	6.5
145.06569	3.7
145.10135	49.5
145.11229	2.5
146.10548	2.2
147.08060	7.8
147.11707	11.1
149.02402	5.5
149.09682	5.5
149.13347	3.2
151.11195	2.1
153.07057	3.7
154.07832	4.1
155.08530	16.6
156.09367	12.9
157.10123	38.6
158.10883	2.8
159.08066	12.1
159.11703	18.1
159.12834	1.9
161.09578	8.0
161.13251	2.4
163.11240	2.4
165.07082	6.2
166.07819	3.4
167.08566	12.1
167.10638	2.5
168.09410	5.0
169.10143	23.4
169.11458	1.6
170.10948	5.0
171.08176	3.7
171.11670	19.2
172.12386	2.1
173.09677	6.0
173.13274	12.0
175.11298	5.0
178.07864	2.4
179.08511	13.9
180.09415	5.5
181.10152	17.2
182.10966	6.6
183.08051	1.9
183.11714	17.9
184.12506	4.8
185.09714	6.6
185.13293	8.2
187.11221	3.3
187.14897	5.3
189.09109	2.3
189.12782	3.0
191.08682	2.0
191.14343	2.4
192.09402	6.6
193.10115	14.9
194.10925	9.8
195.11707	16.5
196.12564	4.6
197.09618	4.0
197.13239	15.4
199.11227	8.0
199.14935	6.5
201.12831	3.3
201.16454	3.2
202.07872	1.8
203.08707	2.8
203.14334	3.0
205.10199	4.8
206.10947	9.4
207.11682	15.6
208.12466	8.0
209.09734	2.1
209.13248	19.0
210.14090	4.8
211.11284	5.7
211.14828	10.6
212.12042	2.2
213.12805	4.7
213.16501	5.2
215.14363	4.0
217.10312	3.0
217.15947	2.7
218.10912	3.5
219.11794	7.4
220.12375	8.4
221.13306	12.1
222.13997	2.4
223.11319	5.1
223.14761	13.2
224.15343	2.0
225.12863	3.3
225.16570	4.8
227.14374	3.0
229.10327	2.7
229.15947	3.5
231.11755	4.7
232.12561	4.0
233.13530	8.3
233.15276	9.5
234.14066	5.8
235.11349	3.5
235.14819	10.5
236.12044	3.1
236.15369	2.0
237.12921	5.4
237.16454	4.1
241.15924	2.6
243.11787	4.0
245.13246	4.0
246.14096	5.8
247.14879	9.0
248.15700	3.6
249.12941	3.9
249.16367	8.3
251.14397	5.2
251.17996	4.3
253.16170	2.8
253.19551	2.2
254.16559	2.0
257.13455	2.5
258.14053	2.4
259.14841	3.6
261.16513	5.0
263.14709	1.9
263.18103	7.5
264.18771	2.0
265.19653	4.6
267.17572	4.5
271.20618	3.0
272.15652	1.7
273.16483	2.6
275.14746	1.9
275.18060	4.4
279.17618	4.5
281.19373	3.3
282.19949	5.8
284.15912	2.1
289.19525	2.0
291.17603	4.5
293.19077	4.3
297.18536	10.2
303.17709	2.4
305.19150	4.2
307.20773	4.9
317.19144	5.1
335.20273	7.7
347.23837	2.5
363.26993	3.8
373.25287	15.2
391.26300	100.0
391.34125	10.0
392.26520	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.05500	2.9
56.76728	0.8
57.07061	1.6
65.03910	1.0
67.05484	3.7
69.07047	2.2
71.30524	1.4
77.42040	0.8
79.05487	6.2
81.06654	0.9
81.07062	10.6
83.08595	2.0
85.06532	1.7
88.07593	1.0
88.31489	0.8
91.05493	10.0
93.06557	0.9
93.07046	11.8
95.04450	0.9
95.04974	11.4
95.08623	4.5
103.73765	1.0
105.06371	1.1
105.07037	17.5
107.08598	7.0
109.06493	2.8
109.10162	4.3
115.05437	1.1
117.06971	3.5
119.08588	12.6
121.06524	4.1
121.10140	6.9
123.08065	1.2
123.11684	1.3
128.06187	2.1
129.06947	4.0
130.07785	2.3
131.08577	7.4
133.10149	4.9
135.08069	1.3
135.11702	1.0
141.06912	2.0
142.07817	4.5
143.08577	7.4
144.09219	0.8
145.06432	1.3
145.10129	11.3
147.08063	2.2
147.11594	2.8
149.02341	1.8
153.06963	1.2
154.07709	1.5
155.08452	3.1
156.09283	2.9
157.10143	9.7
158.10568	0.9
159.08101	4.6
159.11670	4.7
161.09618	4.4
165.06958	2.3
166.07701	1.6
167.08534	1.6
167.10675	0.9
168.09283	2.0
169.10107	6.7
170.10858	1.6
171.07965	1.5
171.11714	5.6
173.09610	2.2
173.13174	3.1
175.11154	1.6
179.08539	2.8
180.09271	2.3
181.10161	4.8
182.10814	2.5
183.08041	0.9
183.11720	5.4
184.12347	1.1
185.09601	2.3
185.13200	4.0
187.14778	1.2
192.09329	1.5
193.10155	4.5
194.10847	2.7
195.08092	1.0
195.11670	4.2
196.12375	1.4
197.09557	1.7
197.13226	4.4
199.11160	1.2
199.14787	2.0
205.10106	1.1
206.10855	2.5
207.11722	4.9
208.12328	2.4
209.09569	1.1
209.13283	6.7
210.13858	1.6
211.11205	1.5
211.14766	2.3
213.12633	1.7
218.10815	1.2
219.11633	2.1
220.12341	3.0
221.13356	4.5
222.13853	1.7
223.14767	2.6
225.12692	1.8
225.16261	1.4
227.14246	1.2
231.11693	1.2
232.12396	1.4
233.13164	2.9
233.15308	1.3
234.13863	1.7
235.14645	2.8
237.12543	1.6
237.16252	2.3
239.14278	1.1
239.17894	1.2
241.15558	0.9
245.13275	1.7
247.14687	2.8
249.16341	2.3
251.14252	1.5
258.13995	1.0
259.14740	2.1
263.17810	2.0
264.18719	1.0
265.15915	1.3
265.19525	1.0
271.20575	0.9
273.16150	1.8
274.16827	1.1
275.17828	2.1
277.19220	1.1
282.19611	1.8
289.19363	1.1
291.17444	1.3
293.18860	1.5
297.18341	2.5
299.17682	1.1
301.79059	1.1
307.20532	1.4
315.20642	1.1
317.18811	1.4
335.19855	2.1
345.25449	1.1
347.23267	0.9
363.24719	1.9
373.25192	5.8
374.25928	1.0
391.24548	100.0
391.35623	3.9
392.24817	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55544	1.7
53.00370	2.1
53.03916	3.3
55.05515	12.2
56.64987	1.8
57.07055	5.8
67.05511	10.2
69.03410	2.6
69.07037	9.9
71.30360	2.6
71.30788	2.7
79.05486	14.0
81.06646	2.7
81.07058	27.1
83.08603	4.2
85.06528	2.8
88.07620	3.3
91.05479	22.3
93.07054	25.4
95.04970	20.1
95.08611	20.5
97.06533	4.6
102.75900	2.4
103.05444	5.1
105.06387	3.3
105.07034	46.0
107.08617	19.2
109.06486	7.7
109.10136	9.9
115.05474	3.0
117.06998	10.9
119.08591	31.7
121.06475	9.5
121.10157	23.4
123.08012	4.3
123.11699	3.9
128.06190	9.0
129.06950	6.7
130.07710	3.2
131.08583	17.5
133.10143	17.1
135.08073	3.9
135.11638	5.0
137.09622	2.7
142.07776	12.8
143.08566	19.1
144.09311	3.8
145.06396	3.0
145.09041	2.5
145.10132	33.1
147.08031	5.3
147.11653	7.0
149.02364	15.0
149.09615	4.8
149.13252	2.9
155.08557	11.8
156.09306	8.2
157.10141	25.9
158.10767	3.0
159.08064	5.1
159.11703	13.5
161.09570	3.8
161.13249	3.4
163.14725	2.1
165.06956	4.3
167.08553	8.1
167.10670	2.1
168.09328	3.3
169.10078	15.2
171.11682	13.9
173.09644	5.2
173.13251	9.4
179.08493	7.1
180.09343	3.0
181.10095	10.4
182.10931	5.3
183.11717	13.0
185.13185	6.9
187.14760	4.4
189.12657	2.5
191.14328	2.7
192.09245	3.7
193.10042	6.6
194.10855	5.3
195.11707	13.3
196.12338	4.1
197.09602	3.3
197.13274	14.6
199.11192	4.8
199.14734	6.8
201.12756	2.9
206.10927	3.8
207.11763	11.4
207.13376	2.5
208.12384	5.2
209.13147	8.8
211.11151	3.7
211.14694	6.1
213.12811	2.7
215.14230	3.9
217.09993	4.0
218.10703	2.6
219.11719	5.7
220.12389	3.4
221.13181	8.6
222.13837	2.7
223.11217	2.9
223.14703	8.7
225.12700	4.1
225.16341	3.2
227.14372	3.6
231.11670	3.3
233.13167	8.9
233.15303	3.6
234.13899	2.7
235.14627	6.6
237.12595	3.5
237.16223	3.6
246.58160	2.7
247.15004	2.3
248.15549	3.1
249.16284	7.0
251.14316	3.3
251.17766	4.0
253.15813	3.7
256.26208	3.5
257.19174	2.4
257.26666	3.8
261.16409	3.4
263.17734	3.2
267.17117	3.2
273.16226	4.0
275.17715	3.9
279.17233	2.7
282.19519	2.8
289.19400	2.2
289.23080	2.0
291.17297	3.9
297.18530	4.3
335.19800	4.9
373.24216	9.3
391.24893	100.0
391.35413	3.9
392.25162	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	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.5
57.03438	2.7
61.01163	4.9
61.02928	3.2
69.03429	8.2
69.12589	13.7
69.12987	4.8
70.06596	9.8
71.04987	3.1
71.06909	2.1
71.08665	2.4
71.51501	1.9
72.08137	3.2
79.05504	7.6
81.03422	5.4
81.07059	2.3
84.04510	5.1
84.08165	4.8
85.02908	29.1
86.09731	13.2
91.05465	5.2
97.02909	9.7
98.06071	4.3
104.05350	5.3
107.04952	19.8
109.02879	3.2
110.07168	2.8
111.04460	3.7
119.04968	2.5
120.08150	6.4
121.06541	4.9
125.06017	8.8
127.03929	7.0
129.10275	3.4
130.05011	2.8
135.04416	21.1
137.05998	7.5
145.04956	5.8
147.04404	3.4
149.02318	7.4
149.05971	32.9
150.02626	2.7
153.05469	28.9
167.07045	100.0
168.07402	3.9
172.11557	10.7
177.05571	2.6
195.06526	34.1
213.07542	26.5
217.13722	15.3
224.14651	2.1
245.13229	3.8
247.04367	2.6
320.73486	2.1
385.46054	2.3
392.13309	3.7
392.67847	2.2
400.68134	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31579	0.9
62.20770	1.2
65.03932	2.6
67.05498	1.3
67.14960	1.2
69.03437	1.4
69.39996	6.7
79.05485	1.8
81.07046	2.7
85.02903	2.0
85.06545	1.5
86.09696	6.9
90.95636	1.1
91.05474	9.2
93.07032	2.0
98.23318	2.3
99.02882	1.0
103.21059	1.1
105.07011	1.4
107.08566	1.3
109.02871	1.6
109.06520	4.6
109.65383	1.1
111.04504	1.4
112.74294	1.1
119.04946	90.4
119.08648	2.0
120.05257	1.7
120.08068	2.7
123.08064	1.0
136.07573	5.7
143.08531	1.1
149.02454	1.5
152.07114	1.2
164.07047	2.8
168.10878	1.1
185.04189	8.6
190.12271	6.1
203.05266	100.0
204.05582	2.8
212.10475	69.6
213.10812	4.0
230.11720	2.3
244.07805	1.3
321.09457	26.2
392.16794	29.6
393.11444	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	392.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45027	2.1
56.05051	11.2
61.01156	5.5
63.45351	2.3
67.89668	2.6
70.06590	15.6
71.04443	5.4
72.08159	6.8
79.05507	5.6
84.04519	8.3
84.08167	3.1
85.02916	7.9
86.09710	16.2
91.05453	4.4
102.05531	3.0
103.05396	2.9
104.05339	4.8
105.06982	4.0
107.04975	32.4
116.79234	3.1
117.31172	2.5
120.08119	11.2
120.44688	2.4
122.06038	2.8
127.03940	3.3
128.86139	2.6
132.10193	15.3
135.08078	12.7
137.06050	4.2
145.02904	5.5
154.06306	2.7
163.07515	16.5
167.07047	29.6
167.08235	16.2
180.07704	3.0
185.07191	5.9
185.09154	5.3
195.06555	8.2
195.10173	100.0
196.10600	3.4
213.11215	11.2
215.08429	2.5
231.07617	12.9
233.09563	3.4
307.08957	2.3
359.92456	3.1
381.54492	2.4
393.21054	26.6
408.93768	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02784	11.0
56.96574	24.7
69.19627	85.2
70.61406	9.4
71.13272	9.2
72.08154	16.3
75.89333	8.4
85.02903	12.0
91.05470	16.5
97.02921	10.6
98.97581	31.1
116.98597	17.8
119.01896	22.1
119.05004	10.2
128.98607	11.9
137.06001	57.0
145.03477	17.7
146.99565	14.5
147.04393	30.2
157.03412	10.9
173.02959	15.4
177.00758	10.9
179.07123	23.4
189.00658	11.4
219.01790	13.1
221.05156	13.3
230.98189	10.3
237.02895	12.3
247.04442	11.9
248.99269	34.2
267.00229	19.7
291.00214	36.4
347.41699	10.8
392.99609	43.0
393.08170	100.0
394.08789	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	393.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01868	10.7
55.05514	100.0
56.05038	3.3
57.03430	17.2
57.70015	2.1
61.02933	10.9
65.56638	2.1
67.05500	4.9
68.59325	2.1
69.03429	19.9
69.07055	2.2
70.06600	15.1
71.01347	5.4
71.04999	13.0
71.05312	2.3
71.30909	3.2
72.08161	13.2
73.02921	70.9
79.05475	3.8
81.03408	6.4
81.07055	5.2
83.04981	3.4
83.08617	56.9
84.08147	8.8
85.02901	20.4
86.09713	6.9
87.04470	3.9
91.05476	5.0
93.07054	3.6
95.04971	4.0
95.08626	3.1
97.02891	26.0
98.97587	2.7
99.08121	2.3
101.09653	5.4
109.02899	2.9
109.06521	3.8
115.03925	24.1
120.08114	20.7
121.06396	2.3
125.02385	4.3
127.03934	5.4
129.10239	3.8
130.05008	3.2
133.04962	52.1
137.05986	4.4
137.09662	2.1
138.05513	5.3
141.07007	3.1
147.04370	2.9
161.04449	4.6
166.05098	5.0
179.05594	11.8
186.05879	2.7
192.51747	2.5
196.06842	2.1
219.14890	3.9
231.06682	6.7
259.08154	5.0
279.63528	2.3
309.18207	4.5
355.31210	2.1
393.12131	15.1
393.16388	12.4
394.11545	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55763	0.5
52.01624	0.5
55.05512	5.5
57.03444	5.5
57.07077	37.9
63.75620	0.5
67.05505	11.1
69.06783	0.5
69.07077	5.7
70.46835	1.4
70.47205	1.1
71.08631	23.8
72.08945	0.7
74.08279	0.7
79.05482	1.1
79.82995	0.5
81.07060	18.2
83.08614	10.1
83.15759	0.6
85.10184	13.2
86.10504	0.5
88.89288	0.6
93.07060	0.9
95.08607	24.5
96.08968	0.8
97.10160	5.5
98.98466	69.4
99.11710	0.8
107.08582	0.7
109.10157	11.3
111.11729	1.6
116.99510	1.2
117.52447	0.6
123.11703	4.9
132.38948	0.6
137.13255	2.2
148.15788	0.6
151.14816	1.0
155.01039	100.0
156.01437	1.3
165.16389	0.7
177.49559	0.6
181.41933	0.5
239.23729	6.7
241.01190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.9
57.03448	6.2
57.07080	37.7
60.44588	0.8
62.70066	0.8
62.70803	0.8
64.95744	0.8
67.05510	16.5
69.06773	1.0
69.07076	10.6
70.21402	2.3
70.21798	1.7
70.29342	1.0
70.58440	1.0
71.08637	24.1
72.08942	1.1
79.05473	2.7
81.07058	21.5
83.08621	13.1
85.06566	1.0
85.10184	12.2
89.06017	5.9
91.05486	2.7
93.07082	5.3
95.04980	1.3
95.08611	30.6
96.08988	0.9
97.10178	5.3
98.98473	68.3
105.07037	4.2
107.08588	5.7
109.10162	15.4
111.11738	1.6
116.99493	2.2
119.08584	6.1
121.10151	3.8
123.11703	8.9
125.13259	1.1
131.08578	1.9
133.08629	2.2
133.10130	4.3
135.08087	1.0
135.11691	3.2
137.13283	4.4
143.08554	1.1
143.80125	0.9
145.10114	4.0
147.11725	1.9
149.13266	1.3
155.01047	100.0
156.01414	1.5
156.09357	1.5
157.10149	3.4
159.11731	5.3
160.72174	1.0
161.09727	1.0
161.13313	1.9
163.14952	1.0
169.10156	2.4
171.11702	3.3
173.13249	1.6
175.14836	1.5
183.11720	1.7
185.13281	1.3
187.14789	3.4
189.16443	1.7
195.12354	6.2
197.13184	1.0
199.14732	1.6
203.14384	1.1
209.13226	1.8
211.14847	1.9
225.16319	1.4
227.17911	1.3
239.18132	1.3
239.23750	6.0
253.19577	1.5
283.13895	0.9
337.20715	1.6
375.30475	1.8
376.25851	1.0
393.27667	4.8
393.31955	11.0
394.32230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18024	0.5
57.07083	7.2
58.07415	1.8
67.05502	0.6
69.07047	0.5
69.10925	3.9
73.01701	0.6
81.04483	0.6
81.07072	0.6
95.08617	1.0
98.23354	1.2
105.03415	0.7
111.74637	0.6
119.08599	1.0
133.10094	0.6
149.06017	1.1
174.52000	0.5
207.11371	0.9
208.11780	0.6
225.14171	0.7
289.67477	0.5
308.19678	0.9
309.19968	3.6
366.94705	0.6
375.24731	4.2
393.26099	100.0
394.26379	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64827	0.4
54.80938	0.4
55.05502	0.6
57.07087	0.7
67.05501	1.0
67.86117	0.4
69.11152	1.4
69.11576	2.1
73.86953	0.5
79.05491	0.8
81.07043	1.4
83.08644	0.6
86.31264	0.4
91.05476	1.1
93.07039	1.3
94.32123	0.4
95.08606	1.9
98.23357	0.8
98.98461	0.5
104.64727	0.4
105.06994	0.7
107.08584	1.1
109.10185	0.8
119.08592	1.6
121.10161	1.1
123.11723	0.5
129.06905	0.4
131.08563	0.5
131.61577	0.4
133.10159	1.3
135.11681	0.6
143.08536	0.5
145.10097	0.6
147.89746	0.4
155.01091	1.0
157.10127	0.9
159.11652	0.9
161.16576	0.5
168.09360	0.4
171.11682	1.2
173.13332	0.4
187.14853	0.9
197.13174	0.5
223.14803	0.5
225.16504	0.4
297.86044	0.5
375.24686	0.4
393.26108	100.0
394.26434	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.07064	0.6
67.05502	1.7
69.07072	1.7
69.09309	2.8
69.09732	2.1
71.08624	0.8
79.05494	1.8
81.07065	2.3
83.02310	0.5
83.08614	0.9
85.06524	0.7
91.05487	5.3
93.07035	2.9
95.04946	1.2
95.08593	3.3
101.85687	0.5
105.07039	3.0
107.08599	2.9
109.06545	0.7
109.10167	1.8
110.70966	0.6
117.06982	0.7
119.08570	3.2
121.10168	1.9
129.07039	1.2
131.08597	1.7
133.10138	1.4
135.08113	0.9
135.11691	1.8
143.08559	1.3
145.10149	2.2
147.11665	2.0
155.08562	0.7
157.10146	1.3
159.11681	2.0
161.09695	0.6
161.13313	1.0
165.12689	0.6
167.08208	0.6
171.11673	1.4
173.13316	1.3
183.11725	0.7
185.13283	1.0
187.14757	1.3
195.11617	0.8
199.14903	0.6
211.14906	0.8
221.13184	0.6
233.15402	0.8
251.17909	0.7
253.19531	0.6
269.19495	0.7
393.26132	100.0
393.30920	3.5
394.26544	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07078	0.7
67.05495	1.9
69.07066	0.8
69.26183	3.2
71.08647	0.7
79.05484	1.1
81.07069	2.2
83.08617	1.0
91.05479	1.0
93.07059	1.3
95.08593	2.2
98.98472	1.1
105.07050	2.6
107.08611	2.0
109.10168	1.9
111.08120	0.5
117.07013	0.6
119.08588	2.4
121.06519	0.6
121.10145	1.4
123.11691	1.1
131.08601	1.4
133.10135	1.9
135.11739	0.9
143.08577	0.9
145.10139	1.7
146.18654	0.4
147.08168	0.5
147.11684	1.1
149.09543	0.5
155.01070	0.9
157.10133	1.9
159.11717	2.0
161.13339	1.1
163.14803	0.6
169.10175	0.6
173.13268	0.8
175.14806	0.6
181.64893	0.5
185.13318	0.7
187.14833	1.4
189.16386	0.5
199.14891	0.8
207.11697	0.5
225.16444	0.5
252.66425	0.5
253.19394	0.5
393.26135	100.0
393.30869	3.3
394.26501	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01867	1.3
55.05514	11.3
57.03428	4.4
57.07076	34.4
59.04991	1.2
65.03941	1.9
65.76558	1.2
66.63572	1.3
67.05506	20.8
69.03429	2.4
69.07070	14.6
70.95994	2.1
71.05003	1.4
71.08636	25.6
72.23397	1.4
72.47801	1.3
79.05495	16.5
80.97436	1.2
81.07062	33.1
83.08614	13.0
85.06527	2.1
85.10182	13.7
89.06030	1.3
91.05482	18.7
93.07046	27.9
95.04974	18.9
95.08611	39.7
97.06531	5.0
97.10162	6.5
98.98469	68.3
99.11789	1.2
102.78707	1.3
103.05473	1.9
105.07033	32.4
106.07343	1.3
107.08601	18.7
108.95403	1.2
109.06518	5.8
109.10149	18.1
110.74862	1.2
111.08058	1.3
111.11716	3.0
113.00011	3.1
113.14649	1.3
115.05495	2.2
116.99523	1.6
117.07019	7.9
117.07729	1.3
119.08584	33.6
121.06516	5.3
121.10151	9.9
123.08067	1.7
123.11703	7.6
124.32521	1.2
128.06233	2.6
129.06972	6.5
130.07764	3.0
131.08582	14.2
133.10141	18.4
135.11703	7.3
137.13286	1.5
141.07033	2.3
142.07796	6.4
143.08560	9.9
144.09348	4.0
145.10127	24.5
147.08022	2.1
147.11682	7.1
149.09656	1.4
151.14775	1.3
155.01041	100.0
155.08585	5.5
156.09344	4.0
157.10135	17.7
159.11696	15.9
161.09653	5.1
161.13239	3.1
163.11221	1.6
167.08597	2.4
168.09309	2.0
169.02611	2.4
169.10138	7.5
170.10904	1.5
171.11678	8.0
173.09666	1.9
173.13272	7.8
175.11241	3.5
175.14856	5.5
179.08511	2.2
181.10103	4.3
183.11621	5.9
185.13266	4.7
187.11136	2.2
187.14847	2.9
189.12761	1.4
193.10181	2.3
194.10960	1.3
195.11765	5.1
196.12477	1.5
197.13232	5.6
199.11215	1.4
199.14839	2.1
201.16449	2.9
206.10844	1.8
207.11612	2.5
209.13315	3.5
211.14832	3.7
213.16391	2.2
219.17381	1.4
220.12497	1.5
221.13246	1.5
223.14856	2.0
225.16428	2.6
235.14726	1.7
237.16290	1.7
239.23674	5.7
241.19392	1.4
253.15826	1.7
343.74988	1.3
370.32944	1.4
393.27878	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	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.05262	1.0
55.05508	9.7
55.84065	0.9
57.07076	6.0
65.03937	1.4
66.86257	0.7
67.05505	22.3
69.07065	15.8
69.35697	5.0
71.08615	2.5
73.10290	0.8
77.03869	0.9
79.05493	15.4
81.07057	58.4
83.08625	9.0
84.08135	2.4
85.10187	1.3
89.06035	1.2
91.05475	14.0
93.07050	29.8
94.07370	1.4
95.04960	1.0
95.08606	100.0
96.08928	3.6
97.10168	6.9
98.98470	5.6
105.07031	29.2
107.08596	55.4
108.08913	1.4
109.10155	43.6
110.10454	1.6
111.11718	3.0
117.06999	2.6
119.08581	45.4
119.59293	0.8
121.10141	42.8
122.10506	1.6
123.11706	26.2
129.06995	1.2
129.10202	1.8
131.08583	8.1
133.10133	27.3
135.11694	22.4
135.12622	0.6
137.13268	9.5
137.82144	0.8
143.08572	3.0
144.09334	1.0
145.10124	17.9
147.11690	24.4
149.13263	17.3
151.14774	2.1
155.01041	5.6
156.29849	0.8
157.10123	3.4
159.11691	17.6
161.13261	21.0
163.14816	12.7
171.11726	3.9
173.13268	14.5
174.13734	1.3
175.14827	13.9
177.16377	17.2
178.16753	1.2
185.13226	2.9
186.13887	1.0
187.14821	11.7
189.16380	20.5
190.16678	0.9
191.17964	9.6
192.18269	1.0
193.19594	1.4
199.14815	4.0
200.15659	1.0
201.16394	18.5
203.17960	23.9
205.19569	3.0
213.16420	4.1
215.17953	9.6
217.19525	10.7
219.21085	1.6
227.17938	2.7
229.19481	9.2
231.21095	4.5
241.19513	3.2
243.21106	8.1
245.22559	1.4
255.21062	6.1
257.22650	5.6
269.22525	4.6
271.24155	1.6
281.22696	1.1
283.24179	6.2
285.25793	1.5
297.25711	5.3
299.27417	1.6
309.25754	1.4
311.27286	11.5
312.27551	1.8
313.28992	1.2
323.27515	4.5
337.28860	1.6
351.30563	0.8
354.99213	1.0
393.35156	89.0
394.35501	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	394.0902
Annotation	Ethidium bromide
Peak:m/z	Relative Intensity
53.53619	1.3
55.01868	1.9
56.05034	4.1
56.96550	5.6
59.29431	1.4
69.07084	1.8
70.06573	2.0
71.29630	1.5
71.76219	1.3
72.08160	4.3
72.82188	1.4
74.06065	2.4
79.88162	1.5
81.03410	1.9
84.04485	1.5
84.08107	2.5
85.02910	2.1
88.03983	4.4
91.05491	1.7
93.35188	1.4
93.48745	1.4
95.04990	2.6
98.97615	3.2
101.93684	1.4
120.08088	6.7
127.03876	1.6
180.06941	3.0
182.04469	6.6
183.77785	1.7
197.11871	1.8
219.01811	2.2
237.02945	2.6
246.04501	1.6
263.06915	3.7
293.01599	2.0
321.19254	1.4
394.08966	100.0
395.09293	6.5
395.13776	2.5
395.18311	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	27.6
57.03428	3.8
57.07069	4.7
61.02922	3.6
67.05517	3.0
69.03427	7.2
70.05470	2.8
70.06594	6.9
71.30051	5.6
73.02921	5.0
76.49549	2.8
84.08156	4.8
84.96023	7.4
85.02912	18.2
86.09698	5.4
91.05488	6.7
97.02901	10.9
98.97582	100.0
99.04436	4.1
102.96915	3.1
107.04915	4.2
109.02854	3.1
110.97564	13.7
114.05531	6.1
116.98626	40.1
119.04931	10.1
127.00701	4.2
127.03907	6.4
128.98608	12.2
130.06528	5.1
131.00092	4.2
134.99638	8.2
137.05983	36.4
143.00188	6.5
143.01874	3.7
145.01724	8.6
146.99669	4.5
147.03310	4.7
147.04408	23.4
149.01320	3.5
149.04572	4.8
154.93298	4.0
156.03267	5.8
157.07625	4.1
158.06093	4.1
158.99644	35.3
159.09229	9.3
161.01199	4.0
161.04810	11.6
163.02708	6.6
166.07251	33.8
167.07001	3.5
170.99602	3.5
172.94379	5.3
173.04878	4.7
174.04404	6.0
175.08675	5.6
177.00734	34.2
178.01126	4.0
179.07030	25.7
185.02913	3.0
187.02837	4.6
189.00673	7.1
189.04124	4.9
191.05920	10.7
197.08165	6.2
201.00668	5.4
203.04073	5.2
203.08076	5.4
209.07033	7.3
215.05905	3.8
219.01807	33.9
220.02214	3.7
221.09225	3.5
233.06917	3.5
237.02797	37.2
253.07852	6.7
255.03922	3.5
257.99414	5.1
261.02628	3.2
274.97516	3.3
277.05344	3.3
279.04034	5.0
284.01193	8.4
302.02191	5.0
303.07452	5.0
303.57773	4.4
307.07123	8.0
309.08521	5.2
321.08704	5.0
335.06415	12.8
335.10101	40.0
353.07654	22.6
353.10883	19.7
383.08163	6.1
391.56094	3.0
394.13989	4.3
395.08005	24.0
395.12753	8.4
417.87097	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	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78009	4.2
56.96567	18.2
69.03439	7.2
69.72890	4.5
70.06589	14.0
72.08152	12.8
79.05510	4.5
84.08150	11.2
84.19910	4.2
85.02912	13.6
86.09717	6.7
90.24355	4.3
91.05485	22.6
95.04970	4.9
96.35521	4.7
97.02912	6.9
97.18602	4.4
98.97592	24.8
107.04962	6.6
109.06541	22.8
113.00845	4.7
114.05565	13.0
116.98637	19.0
119.01907	13.1
119.04933	28.2
120.08093	10.6
127.03920	5.9
128.98639	6.0
129.10231	7.8
131.01942	7.9
136.07603	21.7
137.05978	100.0
143.01938	6.9
146.99696	5.6
147.04401	43.1
148.04900	5.9
149.04575	8.0
161.02957	13.9
165.05432	29.7
166.07246	94.2
173.03001	5.0
173.05013	5.5
179.07022	41.2
187.04457	8.9
197.08096	91.2
198.08495	5.0
203.04053	11.9
214.96477	5.2
215.04082	11.9
219.01825	8.8
221.05171	5.5
226.45717	6.2
235.14388	8.6
237.02831	10.2
237.12662	4.9
239.07730	5.5
263.13889	5.4
274.97644	7.5
275.06317	6.0
298.97891	9.1
313.03659	4.9
316.98804	8.4
335.10132	20.7
395.12988	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	11.4
56.96569	34.6
65.17613	8.3
65.97599	9.1
69.03400	13.5
70.69993	19.7
80.26375	8.3
84.04508	14.1
84.08150	95.6
84.96056	10.9
85.02901	29.1
86.09696	15.4
87.76498	7.8
88.83329	7.6
91.05482	27.4
97.02878	13.9
98.97591	51.5
99.04435	9.9
100.49808	7.6
110.97525	10.6
111.04354	8.5
116.98608	26.3
119.04935	70.9
120.08112	24.4
122.28554	8.5
127.03837	8.5
128.98645	11.2
129.10208	13.2
132.91158	8.4
135.04436	11.4
137.05957	48.5
147.04402	94.7
149.05971	11.1
151.07509	14.0
152.02769	8.2
158.39613	7.9
166.05383	9.8
167.07054	27.8
172.27046	8.3
177.00720	14.1
179.07053	100.0
191.05994	10.1
219.01833	21.7
237.02817	33.5
238.34229	11.9
278.02286	8.4
289.07462	10.9
297.13266	8.3
330.20148	11.9
335.10156	10.6
394.14917	18.0
395.05246	10.1
398.74445	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	394.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01876	7.5
55.05513	7.5
57.03436	6.6
57.07079	1.2
59.60244	0.7
61.02934	6.2
63.78214	0.7
67.05502	3.0
68.97530	0.7
68.99795	2.5
69.03432	39.9
69.07071	42.3
70.07407	0.8
71.01345	1.5
71.05002	5.0
73.02921	6.2
73.74935	0.7
79.05505	2.0
81.03426	23.5
81.07077	3.8
83.01351	1.7
83.04971	1.1
83.08617	0.8
85.02907	100.0
85.06532	0.8
86.03213	1.5
87.00830	48.4
87.04467	0.9
91.04008	1.3
91.05466	2.2
93.07044	3.4
95.04961	1.1
95.08608	2.8
97.02893	36.2
99.04456	12.6
100.04809	1.4
100.07629	1.2
101.02355	1.1
101.70464	0.7
103.03947	0.7
105.01871	75.1
105.07032	2.5
106.02203	1.2
107.08625	1.9
108.04488	3.6
109.02880	25.7
109.10159	0.8
110.03249	0.8
111.11720	6.8
115.03963	1.9
115.44302	0.7
117.01862	2.2
117.05437	1.1
119.08616	1.4
121.06484	0.9
121.10175	1.7
123.11688	1.0
125.02435	0.7
126.05527	1.7
127.03918	67.6
128.04272	1.8
128.14388	1.2
129.01843	3.0
129.05556	0.7
131.08591	1.5
133.10118	1.9
135.11703	0.8
145.04964	39.0
145.10130	1.8
147.02916	2.9
147.11629	1.0
149.13257	0.8
151.11165	0.9
159.02901	11.5
165.12744	0.9
171.02969	1.2
173.13181	0.8
177.03987	0.8
187.14883	1.2
188.15215	1.0
189.03978	2.8
201.16414	1.2
203.14468	1.0
213.04010	3.0
219.13918	1.0
229.45782	0.7
230.06534	0.9
231.05011	19.2
232.05431	1.1
237.14832	0.8
248.07689	1.5
249.06075	6.7
274.40759	0.9
286.17230	0.7
394.32111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.01879	12.0
55.05511	5.4
57.03437	7.2
61.02927	5.8
67.05505	6.7
68.99802	4.1
69.03432	43.9
69.03802	1.6
69.07072	69.1
71.01352	2.5
71.05005	10.4
73.02904	5.1
79.05512	3.3
81.03419	26.4
81.07055	7.1
83.01299	2.2
85.02909	100.0
85.06548	7.2
86.55612	2.3
87.00838	38.0
91.05485	4.2
93.07040	8.2
95.04979	4.5
95.08607	6.3
97.02891	31.5
97.06506	2.6
99.04431	14.7
103.03881	2.3
105.01875	36.7
105.07038	7.0
107.08598	6.1
109.02893	23.8
109.06495	3.1
109.10172	6.0
111.04453	3.1
111.08079	13.9
111.11717	16.8
115.03928	4.3
117.01877	2.6
119.08572	6.0
121.10139	2.1
123.11721	4.4
127.03922	49.2
127.11203	5.9
129.01839	3.0
129.12750	12.9
131.08569	4.3
133.10126	4.6
135.11679	6.2
137.05971	3.0
137.09604	3.9
139.07564	6.2
139.11186	3.8
141.12711	4.3
143.08600	4.0
145.04974	23.7
145.10139	4.2
147.02943	3.0
147.11728	2.4
149.09570	2.5
151.11215	4.3
153.12700	2.9
159.02895	14.0
159.08022	3.6
159.11621	4.1
161.09676	5.4
161.13362	3.6
165.09155	2.5
177.12794	4.8
179.10742	6.7
189.12714	2.6
193.88382	2.2
195.13823	5.5
197.11873	3.0
201.12737	3.7
219.13840	8.1
231.05016	11.6
235.49033	2.0
237.14793	6.4
297.17001	4.3
323.15009	18.4
341.16040	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	395.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86932	0.4
53.43925	0.4
69.28046	2.7
80.86825	0.4
85.00996	0.5
86.07842	0.5
91.89223	0.5
120.08096	0.5
185.04240	4.8
217.04756	0.6
224.03143	0.5
232.07018	5.5
233.07855	11.7
234.08047	0.6
236.90935	0.5
369.80600	0.5
395.13129	100.0
396.13568	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	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68698	0.4
69.48098	0.4
70.06586	0.4
70.68319	0.8
82.71767	0.3
95.04969	0.4
111.04407	0.4
174.96008	0.4
185.04231	4.9
203.13867	0.4
217.04753	1.8
232.07080	13.3
233.07831	13.1
234.08174	0.5
364.11383	2.3
365.11874	0.8
395.13113	100.0
396.13516	6.4
412.64819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01867	2.5
55.05510	1.6
55.63821	1.5
67.05496	2.2
69.03416	6.6
69.07107	1.5
71.04999	4.5
73.02924	1.6
79.05489	3.6
81.03411	4.2
81.07061	4.3
85.02912	6.0
86.09736	2.0
87.04449	2.0
91.05468	5.1
93.07059	5.2
95.04962	2.1
95.08591	2.9
97.02926	2.4
97.06562	2.3
105.07013	3.5
107.05009	1.5
107.08602	3.0
109.02861	3.6
115.05411	2.3
117.07009	3.5
121.10160	2.5
125.06062	1.6
127.03918	3.4
127.07549	2.2
128.06245	6.4
129.06981	4.6
131.08582	2.0
145.02826	2.1
145.06482	2.2
147.04419	2.0
147.08086	3.6
149.05969	2.0
149.97011	1.8
155.08498	1.8
177.05530	2.4
185.04269	4.8
187.11107	2.7
187.14357	2.5
188.03624	1.7
190.05101	1.9
205.12210	3.8
215.10641	2.9
217.04791	2.0
232.07083	12.4
233.07813	8.7
233.11702	1.7
313.04132	1.6
395.13129	100.0
396.13000	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	395.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09999	0.9
52.07575	0.9
55.05514	2.0
69.88535	1.9
70.54714	0.9
81.07056	1.8
83.01099	2.6
83.04982	1.0
123.07841	3.0
124.84348	0.9
171.08919	0.9
235.13048	34.2
236.13411	2.5
297.31146	1.0
317.21054	2.9
335.21921	100.0
336.22272	9.9
395.24060	58.8
396.24258	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	396.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.3
55.01880	7.3
56.05036	1.7
56.96544	1.6
57.03442	5.6
61.02918	9.6
67.05505	3.8
69.01202	1.5
69.03431	32.9
69.07061	2.2
70.06252	1.5
70.06594	6.3
71.04999	13.2
71.30054	2.1
72.08160	2.3
73.02913	8.1
74.06083	6.6
79.05496	3.6
81.03417	22.5
81.07067	1.5
82.69765	1.4
83.04989	2.2
83.96877	1.5
84.04507	7.4
84.08165	2.3
85.02905	100.0
86.03226	1.8
86.09713	3.9
87.00829	30.9
87.04462	3.3
90.05526	3.2
91.03954	2.2
91.05480	4.7
93.07040	3.6
95.04973	2.5
95.08596	1.9
97.02895	39.2
98.97626	1.8
99.04458	14.1
99.08157	1.7
102.05566	1.7
103.05466	2.0
105.01870	46.2
105.07038	3.0
107.04976	1.8
109.02883	26.8
109.06523	2.5
109.10130	1.8
110.07176	2.3
111.08088	2.2
112.07606	9.0
113.06038	4.1
117.01867	3.3
117.07024	1.6
119.04944	2.4
120.08115	20.3
121.06477	1.8
121.08462	4.6
123.04455	2.4
125.09669	2.3
127.03916	59.2
129.01836	2.1
131.07053	4.4
131.08482	1.9
132.99580	4.0
136.07539	6.0
137.05988	3.3
140.07027	7.7
145.04951	36.2
145.06190	2.0
147.02933	2.5
149.02118	6.5
152.07040	2.2
153.09077	1.6
159.02879	12.1
166.08650	8.0
171.02138	3.5
181.08664	2.2
185.09279	3.9
199.01567	3.8
199.09691	4.1
203.10291	3.0
213.03969	2.5
213.08694	1.9
213.12439	2.7
217.02592	2.6
220.06163	1.9
231.04979	15.8
231.09689	2.4
234.07803	4.1
234.13318	4.0
249.06091	2.4
249.15942	1.6
271.04214	3.9
311.07422	3.9
353.08514	13.2
378.17810	2.2
396.12460	2.4
396.16940	2.2
397.07306	30.7
397.20419	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45753	0.8
50.90633	0.7
52.05053	0.9
52.68937	0.7
53.03946	4.4
55.01871	6.6
55.05516	1.3
57.03440	5.7
57.07082	2.1
57.89262	0.7
61.02934	5.8
67.05540	0.9
68.99796	2.0
69.03431	35.4
69.07060	2.1
70.06583	1.1
70.45596	1.6
70.45988	1.8
71.01356	0.8
71.04999	4.6
71.08639	1.9
73.02922	5.9
81.03416	23.5
83.08649	1.4
84.08129	1.2
85.02905	100.0
85.06552	0.9
86.03236	1.5
86.09708	1.1
87.00830	41.3
87.04472	1.1
89.11929	0.8
91.05521	0.8
97.02888	28.5
98.03231	1.0
99.04447	13.5
100.11247	6.7
101.02367	1.3
103.03945	1.2
105.01868	62.2
107.59198	0.7
108.04478	1.7
109.02884	28.3
109.10193	0.8
111.04461	1.2
115.03935	0.7
117.01868	2.9
126.05544	0.9
127.03919	69.5
128.04279	1.8
129.01848	3.0
137.05904	1.2
145.04958	32.1
147.02893	1.5
159.02885	11.9
168.13840	4.4
171.02957	1.7
178.43896	0.8
182.15480	1.0
184.17012	3.2
189.03943	3.9
196.13284	5.1
201.19656	1.2
205.37024	0.8
210.15036	1.1
213.04025	2.2
227.17526	0.8
228.16071	1.0
231.05020	19.4
232.05481	1.2
248.07581	1.1
249.06134	4.4
271.91391	0.9
311.23346	1.9
378.31467	1.3
396.32291	4.6
397.16605	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	396.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05511	1.5
57.07071	1.2
58.65018	0.3
61.25972	0.3
65.03947	1.5
67.05509	2.8
68.52766	0.3
69.03466	0.3
69.07066	2.9
69.95647	1.0
70.26520	0.3
71.08636	2.3
79.05498	2.2
81.07060	3.9
83.08620	0.6
85.06543	0.9
91.05486	100.0
92.05816	3.0
93.07050	3.7
95.04983	4.5
95.08613	3.8
97.06545	0.8
99.04442	0.3
99.08075	1.4
105.03408	0.3
105.07049	2.4
106.06564	10.7
107.06910	0.4
107.08598	2.7
108.05693	0.4
108.08123	16.3
109.06523	5.9
109.08469	0.8
109.10184	1.0
111.08088	0.4
117.06214	0.3
117.07024	1.5
119.08586	2.0
121.06532	0.8
121.10152	1.0
123.08094	0.7
129.07001	0.9
131.08601	2.0
133.10112	1.9
135.08055	0.9
135.11705	0.7
137.09619	0.7
141.07028	0.5
143.08569	0.7
145.10101	1.2
147.11705	1.1
149.09674	0.6
149.13290	1.0
151.11224	0.4
151.14885	0.3
157.10132	0.8
159.11699	0.8
161.13229	0.4
163.11200	0.9
163.14832	0.5
165.12766	22.8
166.13077	1.0
169.10245	0.6
171.11583	0.4
173.13261	2.1
175.11238	0.8
176.10739	0.7
177.12801	0.6
181.10118	0.5
183.11786	0.8
184.13374	0.4
191.14348	2.8
197.13203	0.4
199.11310	0.3
201.12788	1.2
204.13893	0.8
209.67636	0.3
221.15346	0.3
223.14912	0.3
244.16937	1.4
261.22083	0.5
271.20569	1.2
282.18576	1.0
289.21622	4.1
290.22113	0.5
298.21710	3.7
299.22040	0.4
305.23544	0.4
323.09088	1.1
326.08026	0.4
337.64929	0.3
341.97412	0.3
355.11972	0.4
367.12003	0.4
378.28146	0.7
379.11673	0.3
379.25983	0.6
396.28992	9.1
396.34479	2.0
397.12759	0.9
397.29800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77869	1.5
54.20228	1.5
55.05507	2.6
57.07077	28.9
59.05018	2.2
67.13597	1.3
69.14629	12.7
71.08639	27.6
71.13609	1.9
73.06541	4.5
75.81096	1.6
81.07018	2.4
83.08618	3.6
85.10189	21.6
86.43630	1.5
89.06036	100.0
91.05484	4.1
94.31981	1.6
99.11736	2.4
106.81624	1.4
107.07104	1.9
117.09148	3.6
130.08618	2.0
133.08612	34.1
141.16360	4.5
151.09669	4.7
177.11223	9.7
185.19025	4.4
229.21651	4.5
239.14917	15.9
257.92480	1.6
374.91846	1.6
379.30563	17.3
397.29196	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	397.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97835	0.6
56.96299	1.2
56.96568	16.9
57.03442	0.7
64.94580	0.6
69.03425	0.9
69.86362	2.2
71.95253	0.9
73.02887	0.6
78.12214	0.7
84.96049	4.7
85.02905	2.3
85.13722	0.6
97.02892	1.8
98.97586	52.1
100.99171	1.3
110.97582	19.3
112.99136	100.0
113.99464	0.9
115.73815	0.8
116.98631	11.7
123.01987	0.6
124.99159	1.9
127.00706	2.7
127.03979	0.6
128.98618	12.5
131.00175	74.1
132.00533	0.8
134.99640	1.7
136.99091	0.9
140.98552	1.7
143.00179	4.8
144.98076	1.1
145.01733	4.2
146.99658	3.7
149.01230	22.3
151.02834	0.6
152.98578	1.3
155.00157	1.4
157.01689	1.2
158.99660	8.4
161.01234	3.4
162.99181	0.7
163.02782	2.1
169.01514	0.8
170.99667	5.0
171.53125	0.7
172.00314	0.7
173.01237	13.6
174.99223	0.8
175.02771	8.4
177.00703	5.5
182.99709	1.4
187.02727	3.9
189.00725	3.5
191.02309	8.8
193.03856	16.7
201.00696	8.6
203.02350	1.0
205.03885	3.3
209.01317	4.2
211.04916	8.8
217.03870	2.6
219.01779	58.4
220.02155	1.8
221.03441	0.7
227.02295	1.8
229.06033	0.8
231.01717	1.1
233.03325	3.7
235.04820	3.3
237.02829	62.5
238.03183	2.0
240.05779	1.2
247.04939	2.2
249.06416	2.2
249.56239	0.6
250.07170	2.1
251.04349	1.4
255.03865	3.4
257.03494	1.5
257.06049	1.0
263.04480	3.5
275.04398	17.0
276.04376	0.8
277.05981	2.5
278.08163	1.0
279.70090	0.6
281.05566	3.9
285.33783	0.7
289.06091	1.0
293.05441	22.6
294.05881	1.2
307.06808	0.6
315.77005	0.7
319.07025	1.5
337.08060	94.6
338.08466	5.3
355.09122	92.8
356.09427	5.1
378.10852	1.9
397.10202	17.3
398.10556	1.4
405.59232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1281
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
55.05504	3.5
57.03428	1.4
59.04999	1.6
67.05495	2.1
67.49471	1.2
69.03429	1.7
69.07079	2.8
70.10754	4.6
71.08629	1.8
79.05486	5.2
81.07066	2.8
83.04984	1.2
87.04469	1.6
91.05482	48.9
92.05811	5.7
93.07049	4.6
95.04961	2.3
95.08604	4.6
98.22617	1.4
98.64761	1.3
99.04454	40.6
101.09679	1.5
105.07040	4.2
106.06580	6.0
106.07240	1.7
107.08574	3.2
108.08139	6.1
109.06517	3.5
109.10207	2.6
115.05438	2.2
116.06318	1.4
117.07004	3.5
119.04936	5.1
119.08576	5.0
121.06529	3.6
121.10168	1.9
123.11712	2.2
127.03938	13.7
128.06250	1.6
131.08507	1.9
132.05714	12.0
133.06441	1.6
133.10139	2.4
135.11699	1.6
145.10114	2.3
147.08049	5.4
147.11742	1.4
149.13373	1.7
159.11771	1.7
165.07014	2.1
165.12769	10.3
166.13094	2.8
173.13252	2.1
175.07562	3.1
175.11183	1.3
178.06343	1.9
178.07826	1.9
179.08482	1.8
179.10757	4.3
184.02051	1.7
190.07739	1.1
192.06001	1.2
192.07825	2.5
193.08578	2.0
194.07254	1.6
195.08112	1.6
197.05994	2.8
198.93892	1.2
205.06529	2.9
207.04425	2.1
207.08211	2.1
207.10147	28.3
207.11975	2.3
208.10576	1.8
209.09596	1.9
211.07677	1.8
215.07114	1.7
215.14319	1.6
218.07213	1.7
219.08151	2.1
221.06041	3.4
222.06770	5.6
223.03975	2.8
223.07570	2.3
224.08243	1.1
225.05522	4.9
225.09053	2.5
226.06142	1.5
233.06131	2.9
234.06552	1.4
235.07495	3.3
236.08174	2.0
237.05501	4.6
237.09137	6.3
238.06152	2.4
239.07123	2.9
240.04218	2.5
241.04924	1.9
241.08542	1.6
247.07552	2.4
248.08299	2.5
249.05550	4.3
249.09076	2.2
250.06273	5.1
250.09755	1.6
251.03360	5.0
251.07024	7.0
252.03987	1.9
252.07758	4.7
253.04938	5.4
253.08563	2.8
254.05779	2.6
255.06482	2.6
261.05484	1.7
262.06281	4.3
263.07092	9.6
264.04303	2.0
264.07770	4.1
265.05057	12.7
265.08200	8.7
266.05734	8.8
266.09171	2.7
267.06506	4.7
267.09906	1.6
269.08139	1.7
275.07214	1.8
276.07684	3.3
277.04828	2.0
277.08594	5.4
278.05811	4.3
278.09317	7.8
279.06537	14.1
279.09952	2.4
280.04086	2.0
280.07285	11.4
280.10226	1.8
281.04529	6.7
281.08099	5.7
282.05389	3.0
282.08841	1.5
283.06110	2.3
290.05701	2.4
291.06525	11.0
291.09818	2.3
292.04172	1.4
292.07156	6.3
293.04465	11.8
293.08078	12.2
294.05197	9.4
294.08838	11.6
295.06006	7.3
295.09619	9.7
296.06754	5.2
296.09848	1.9
297.07724	7.2
297.10870	2.2
298.21725	1.4
299.05374	1.6
303.06577	2.3
304.07352	1.7
305.08066	6.1
306.05460	1.6
306.08783	4.8
307.05994	13.6
307.09665	3.7
308.06833	12.1
309.07568	16.5
309.11130	3.8
310.08096	3.5
311.05539	23.3
311.09024	3.7
312.05826	1.9
313.07095	1.6
320.06842	2.2
321.07584	6.6
321.10870	1.7
322.08484	8.4
323.09125	100.0
324.06345	2.6
324.09778	29.4
325.07031	12.9
325.10687	11.9
326.07837	30.2
326.11456	3.1
327.08374	4.8
333.07617	4.3
334.08316	1.6
335.05505	2.1
335.09174	2.0
336.09885	2.2
337.07019	9.9
337.10825	11.1
338.07712	2.5
338.11426	7.2
339.08594	11.0
339.12326	15.9
340.09225	12.3
340.12793	1.8
341.09912	1.7
347.09171	2.5
348.09869	9.1
349.06982	3.6
349.10825	5.4
351.08557	3.3
352.09528	2.1
353.10193	14.8
354.10938	3.5
355.11780	43.1
356.12189	3.1
357.22452	1.3
364.09457	1.8
365.10184	7.7
366.10995	13.8
367.07477	2.5
367.11768	26.0
369.13345	7.8
379.11786	23.8
382.10471	4.4
396.29535	2.3
396.34439	2.2
397.12811	58.5
397.30777	2.4
398.12936	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	397.1285
Annotation	Cilinaphthalide A
Peak:m/z	Relative Intensity
55.01850	2.0
55.05500	3.8
57.07074	1.4
57.97415	1.1
59.04995	1.6
65.03951	1.1
67.05489	5.1
69.03431	3.0
69.07064	3.0
70.45329	3.5
71.04983	1.4
73.62797	1.3
78.07356	1.3
79.05499	3.8
80.94873	1.4
81.07038	7.0
83.04976	2.2
83.08606	1.7
85.06550	2.2
87.04469	1.8
91.05490	16.8
92.65036	1.2
93.07054	6.8
95.04973	2.4
95.08615	7.6
99.04456	25.1
105.07037	6.9
107.08598	7.5
109.06491	1.3
109.10163	5.5
111.08105	1.6
115.03857	1.2
115.05439	2.3
117.07039	3.7
119.04928	4.4
119.08591	8.6
120.65923	1.1
121.06480	2.6
121.10155	8.8
123.11720	3.0
127.03932	10.5
127.07567	1.5
129.07051	1.2
131.08575	3.9
132.05692	8.6
133.10132	6.9
135.08113	1.3
135.11687	2.8
137.05984	1.6
137.13263	1.5
141.06932	1.6
142.07779	1.4
143.08582	3.3
145.10126	5.2
147.08044	5.6
147.11775	3.2
149.09569	2.5
149.13245	2.5
155.08479	1.7
157.10123	3.6
157.30090	1.4
159.08112	1.7
159.11688	3.9
159.73158	1.1
161.09528	1.3
161.13278	1.4
165.12721	2.0
166.07802	1.7
167.08575	2.0
169.10127	2.4
171.11693	1.5
173.13234	3.0
175.07535	1.6
175.11255	2.0
175.14703	1.6
177.16425	1.2
178.07774	1.4
179.08556	2.1
179.10579	2.7
181.06503	1.3
183.11693	1.7
187.11217	1.9
187.14824	1.9
189.16438	1.7
191.08488	1.7
191.14296	1.7
191.17982	1.7
194.07269	1.7
195.08105	2.1
197.05862	1.7
197.36473	1.2
199.11180	1.5
201.16383	2.3
203.14404	1.4
205.06523	1.9
207.08279	1.9
207.10147	22.7
209.05936	2.0
213.05255	1.4
213.16454	1.6
215.17990	1.4
219.08147	2.0
221.05917	1.8
221.09608	1.7
222.06781	4.1
223.03889	1.5
223.07538	3.6
225.05409	3.5
225.09053	2.4
233.05821	2.3
235.07526	2.9
236.08321	2.5
237.05411	3.1
237.09160	3.6
238.05981	1.5
239.06982	2.6
241.04974	1.3
241.08551	1.3
247.07483	2.0
248.08273	3.1
249.05441	4.7
249.09056	3.6
250.06148	4.0
250.09781	1.4
251.03322	3.5
251.06995	6.3
252.04085	1.6
252.07854	3.9
253.04958	5.7
253.08438	2.1
254.05766	2.2
255.06406	2.4
261.05249	1.6
262.06152	3.7
263.07056	11.2
264.04190	2.4
264.07782	5.5
265.04993	10.5
265.08447	8.7
266.05701	6.2
266.09015	2.5
267.06506	4.9
276.07867	2.6
277.05106	2.9
277.08545	5.4
278.05786	2.5
278.09308	3.7
279.06537	12.6
279.09534	2.3
280.07263	12.0
281.04468	6.7
281.08081	6.4
281.11096	1.3
282.05215	1.8
283.05963	3.5
291.06577	10.4
291.09683	1.8
292.04050	1.3
292.07123	6.1
293.04440	9.6
293.08041	11.0
294.05127	8.2
294.08804	11.4
295.05984	4.8
295.09604	8.5
296.06677	5.6
296.09854	1.7
297.07562	5.3
297.11136	3.2
298.08487	2.0
305.08188	6.7
306.08762	3.7
307.05981	14.3
307.09601	3.9
308.06793	9.3
309.04239	1.9
309.07520	14.0
309.11221	4.9
310.04565	1.7
310.08246	3.1
311.05545	21.9
311.09033	2.2
312.05969	1.7
312.09903	1.5
313.06995	2.0
319.09473	2.1
321.07645	6.4
321.10950	1.7
322.08383	9.9
323.09131	100.0
324.06464	1.9
324.09802	33.1
325.06961	10.2
325.10681	12.8
326.07864	27.8
326.11526	3.1
327.08542	4.8
333.07651	4.3
334.08304	1.8
336.09900	1.8
337.06961	6.6
337.10757	8.9
338.07803	2.6
338.11279	8.6
339.08533	11.2
339.12305	18.1
339.18973	4.8
340.09326	15.8
340.12979	2.2
347.09027	2.1
348.09882	9.9
349.06915	2.0
349.10742	5.3
351.08670	4.8
352.09424	3.0
353.10220	15.4
354.10855	4.2
355.11755	44.2
356.12097	2.5
364.09451	2.9
365.10196	8.1
366.10953	15.8
367.07535	2.5
367.11783	29.3
368.12079	3.0
369.13278	7.9
379.11765	16.5
380.12048	1.5
382.10449	4.9
397.12766	59.3
397.27075	4.2
397.30966	4.8
398.13046	4.8
398.36255	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1648
Annotation	Predurallone
Peak:m/z	Relative Intensity
53.32314	0.7
55.01875	1.6
55.05505	1.3
61.61281	0.7
65.03947	5.3
67.05493	2.1
68.80993	0.7
69.03417	2.6
69.09924	7.5
71.05006	5.7
75.99671	0.8
76.55002	0.9
78.84159	0.7
79.05509	5.1
81.03442	1.1
81.07067	4.3
83.04974	1.0
85.02912	2.5
91.05492	10.8
93.03413	18.4
93.07079	3.9
94.04169	4.0
95.04977	2.6
95.08591	3.9
98.22613	1.2
103.05485	2.4
105.07020	4.8
107.04953	1.9
107.08610	3.1
109.02880	1.2
109.06540	2.9
109.10173	1.2
110.07182	1.0
111.04491	1.1
115.05450	3.1
117.07048	3.6
119.04967	2.5
119.08606	2.0
121.06489	2.5
121.10136	1.0
122.03645	7.6
123.11703	1.3
128.06190	3.8
129.07008	6.5
131.04941	1.9
131.08574	4.6
133.02824	1.1
133.06490	1.6
135.08118	1.4
137.05983	82.5
138.06331	2.9
141.06975	3.8
142.07790	3.6
143.08557	3.6
144.05717	2.2
145.05035	0.9
145.06462	2.0
145.10123	2.7
146.03665	1.0
146.07227	0.9
147.04416	1.9
147.11705	1.8
147.50575	0.7
149.05977	3.6
151.03905	2.1
151.07573	2.5
152.06316	1.2
153.05507	1.2
153.06996	3.7
155.08595	7.1
157.06476	2.8
157.10136	2.8
158.07291	2.1
159.08057	4.0
161.06009	5.8
161.09625	1.1
165.07040	1.7
166.07751	1.1
167.08528	3.2
169.06522	2.0
169.10138	0.9
170.07304	2.1
171.08017	4.3
172.08878	0.9
173.06050	0.9
173.09630	2.1
173.13156	1.2
175.07561	1.6
177.05476	2.5
181.06544	2.0
182.07286	1.6
183.08054	3.2
185.05872	0.9
185.09634	2.5
186.06807	1.5
187.07553	3.5
189.09085	1.5
195.08080	3.3
197.05971	1.1
197.09554	1.3
198.06761	3.0
199.07584	2.2
200.08357	1.9
201.09167	4.0
201.12769	4.5
202.07825	2.2
202.09662	1.2
203.08643	1.9
203.10689	2.2
207.08031	1.1
210.06717	1.1
211.07605	2.4
212.08379	1.8
213.09138	7.2
215.08704	1.9
215.10703	3.0
216.09406	1.8
217.10297	4.2
218.07274	0.9
219.08081	2.1
225.09172	2.5
227.10718	1.7
228.09422	2.1
229.10327	4.2
230.07155	1.1
230.10919	1.0
231.08055	2.6
231.10208	4.3
232.08812	2.0
233.09647	2.2
234.06795	1.0
237.08978	1.3
239.08609	1.5
240.09294	1.3
241.10222	1.8
243.08023	1.6
243.10263	2.6
244.08861	1.4
245.09627	9.4
245.11757	1.3
246.10324	1.7
247.07661	2.1
247.11241	1.6
248.08290	1.7
249.09090	1.5
256.09003	1.1
257.09631	6.3
258.10361	3.6
259.07468	1.8
259.11206	2.5
261.09030	3.4
261.11441	2.3
262.09811	2.2
263.07141	1.5
263.10626	2.1
265.08633	1.1
269.09686	1.9
271.07477	2.8
272.08255	1.3
273.09073	3.1
273.11365	2.9
274.09778	5.0
275.07150	1.1
275.10663	2.7
276.07904	1.8
276.11328	1.3
277.08755	2.5
277.12335	5.1
279.13791	1.2
285.09155	5.3
286.09833	3.0
287.07202	1.6
287.10660	3.5
289.08691	2.4
289.12277	2.8
290.09451	2.3
291.10156	2.7
293.08447	1.4
293.11737	2.4
294.08887	1.1
297.09088	1.8
298.09683	1.6
300.11111	1.2
301.08615	2.3
301.12247	1.8
302.09323	2.4
303.10107	5.4
304.10968	2.6
305.08383	1.4
305.11658	6.0
306.08792	1.2
307.09674	2.2
307.13290	2.1
309.11206	1.4
314.09473	1.8
315.10324	1.3
316.10934	1.6
317.11700	5.3
318.08807	1.5
318.12405	1.6
319.09579	2.8
319.13388	1.9
320.10400	2.6
321.11234	3.4
321.14758	1.4
323.12729	1.5
329.11804	3.6
331.09567	1.7
333.11163	4.3
334.11942	2.3
335.12701	5.2
336.13312	2.1
337.14221	1.5
339.16040	1.6
346.11929	2.8
347.12860	4.1
348.13571	2.3
349.14426	4.4
354.14685	1.5
361.14368	4.3
367.15439	6.3
379.15448	12.4
397.16510	100.0
398.16849	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.17575	0.8
55.01866	1.9
55.05510	1.2
62.64465	0.8
65.03930	1.9
65.43880	0.8
67.05511	1.8
69.03419	2.7
69.07053	0.9
70.06582	0.9
70.68367	1.6
71.05006	1.2
79.05494	2.4
81.03425	1.4
81.07056	3.1
83.04979	1.6
84.08102	0.9
85.02894	2.0
86.09702	1.2
89.03945	1.0
91.05480	12.0
93.07024	1.7
94.04173	3.6
95.04980	2.5
95.08604	1.2
97.02869	1.8
103.05485	4.1
104.33337	1.0
105.07034	6.4
107.04958	2.6
107.08627	1.6
109.06527	2.4
111.04413	1.2
112.20881	0.9
115.05481	3.5
116.06241	1.0
117.07028	2.4
118.03333	0.9
119.04951	7.2
119.08607	1.8
121.06516	1.9
121.10114	1.1
122.03653	8.6
123.04417	0.9
123.08059	1.5
125.06055	1.0
128.06253	5.2
129.07021	7.8
131.04916	3.4
131.08556	5.2
133.02834	1.6
133.06479	1.7
133.10144	2.3
135.04321	1.0
135.08060	3.2
137.05974	100.0
138.06335	4.0
141.06964	5.5
142.07794	3.2
143.08589	2.2
144.05714	4.0
145.06496	3.5
145.10124	1.5
146.03630	1.3
147.04442	2.8
147.08086	1.4
147.11723	0.9
149.05984	5.2
150.06792	1.1
151.03938	1.7
151.07536	11.6
152.06233	2.7
153.05688	1.0
153.06981	3.5
154.07756	2.5
155.04921	1.0
155.06076	1.2
155.08566	4.6
157.06480	5.3
157.10126	2.6
158.07307	3.6
159.08012	7.2
159.11659	1.2
160.05186	1.2
161.05989	13.9
161.09662	4.1
162.06407	1.1
163.07573	2.5
165.06981	4.8
166.07774	1.4
167.08553	3.2
168.05731	1.2
169.06512	2.3
170.07233	2.8
171.08035	4.4
172.05234	1.7
172.08859	4.1
173.06071	1.1
173.09619	2.6
174.06734	1.5
175.07523	5.2
175.11211	1.2
179.07071	1.7
179.08586	1.3
181.06505	3.7
182.07272	7.5
183.04434	1.1
183.08028	4.1
184.08841	3.4
185.05966	2.2
185.09619	8.9
186.06805	2.5
187.07568	8.2
187.11203	2.2
188.08141	1.4
189.09125	3.9
189.12781	2.1
191.06999	6.7
194.07361	3.2
195.08083	2.7
197.05989	2.8
197.09636	8.8
198.06755	16.0
198.09843	1.0
199.07549	9.8
199.11382	1.7
200.08304	2.7
201.09058	4.7
202.07780	2.6
203.08522	2.3
203.10498	2.0
205.06679	1.2
205.08549	1.8
208.08615	1.1
209.09637	1.1
210.06810	3.5
211.07530	4.7
212.08359	4.8
213.09096	23.5
214.09486	1.4
215.08751	2.1
215.10539	5.5
217.08490	1.6
217.10330	1.4
217.12216	1.4
217.15906	1.6
221.06035	1.2
224.08250	1.3
225.09084	11.9
226.09819	1.2
227.10605	1.3
228.07677	1.5
229.08345	1.6
229.10196	3.2
231.08095	3.4
231.10114	2.3
232.08681	1.8
233.09538	3.1
242.07167	1.3
242.09409	2.1
243.08069	1.4
243.10161	19.0
244.08653	1.1
245.09607	3.8
245.11739	2.0
246.10271	2.2
247.07593	2.7
247.11195	1.1
248.08232	2.7
249.09096	2.3
255.07939	1.6
255.10260	4.8
257.09595	4.8
258.06635	2.1
259.07550	3.3
259.11240	1.5
260.08441	3.8
261.09171	4.7
262.06177	1.8
262.09814	1.5
263.07141	1.6
263.10559	1.8
264.07819	3.9
265.08630	4.2
269.09674	1.3
271.07532	3.1
272.08273	1.1
273.11261	53.7
274.09396	2.1
274.11990	1.8
275.07098	1.3
275.10712	3.9
276.07782	3.4
276.11273	0.9
277.08636	4.9
277.12204	2.7
278.09406	3.6
279.10025	1.9
281.68234	1.1
283.09866	1.0
285.09152	2.5
286.09805	2.6
287.07349	1.8
287.10660	2.7
288.07785	2.3
289.08667	7.0
289.12180	2.5
290.09323	4.0
290.12350	1.4
291.10159	8.5
292.07294	5.2
292.10858	2.9
293.08115	4.6
293.11752	4.1
295.09567	1.2
301.08612	2.9
302.09332	2.9
303.10175	7.6
304.07477	1.3
304.10785	2.0
305.08047	2.4
305.11707	5.8
306.08856	2.9
306.12289	2.0
307.09656	12.3
307.12958	1.5
308.10391	9.2
309.11191	2.6
314.09674	1.2
317.11688	5.8
318.08942	1.3
318.12323	1.3
319.09637	3.7
319.13232	2.3
320.10367	3.3
321.11121	8.2
322.11948	1.5
323.12805	2.7
325.10614	2.4
325.14313	1.0
329.11655	1.3
331.09659	2.2
333.10977	4.5
334.11847	3.5
335.12775	8.0
336.13477	4.7
337.10519	1.3
337.14319	3.3
339.12292	4.4
347.12732	2.0
348.13541	2.2
349.14365	6.5
351.12280	17.6
351.16220	1.9
352.12714	2.1
353.13901	3.4
354.14569	27.8
354.89410	1.1
355.14978	1.4
361.14319	3.1
364.12820	1.1
365.14270	1.4
367.15506	6.0
379.15323	18.4
380.15729	1.8
397.16483	99.9
398.16830	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	397.1646
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01871	1.6
62.96433	1.3
67.05498	1.9
69.08356	10.2
79.05510	3.2
81.07059	4.1
91.05479	12.6
92.42901	1.3
93.03413	1.9
93.07036	2.2
94.04194	2.2
95.04971	2.4
95.08604	2.6
97.06563	1.5
103.05464	2.9
105.07043	6.3
106.82737	1.2
107.04964	3.6
107.08552	1.4
109.06476	2.0
109.10160	3.8
115.05467	3.9
117.07017	1.4
119.04951	10.9
121.10141	1.4
122.03646	7.9
124.05240	1.5
128.06200	5.9
129.07031	8.1
131.04939	3.8
131.08540	7.5
133.02872	2.1
135.08092	1.3
137.05980	91.7
138.06332	4.0
140.08208	1.4
141.07018	6.6
142.07767	3.7
143.08586	3.6
144.05746	3.8
145.06473	3.0
147.04424	4.5
149.06010	4.6
151.07524	11.9
152.06250	1.6
153.07036	4.1
154.07776	2.4
155.08553	4.9
157.06516	3.2
157.10141	2.4
158.07231	2.2
159.08041	5.1
161.05983	13.8
161.09608	2.8
163.07584	3.0
165.07033	6.2
167.07112	1.9
167.08533	2.5
168.05727	2.6
169.06520	4.3
170.07333	1.6
171.08054	5.3
172.05157	1.5
172.08783	3.0
173.05997	2.0
173.09673	2.0
175.07570	4.5
180.94727	1.3
181.06538	2.5
182.07225	6.7
183.04565	1.4
183.08098	3.6
184.05191	2.8
184.08836	3.6
185.06012	2.6
185.09644	11.1
186.06767	2.5
187.07614	6.3
187.11220	2.4
189.09166	3.7
191.07030	4.7
194.07358	3.1
195.08116	3.0
197.05977	1.9
197.09618	9.2
198.06776	15.5
199.07555	9.8
200.08333	3.4
201.09129	6.0
203.08566	2.2
203.10757	1.3
205.08405	2.0
209.09645	2.1
210.06779	4.0
211.07533	4.6
212.08356	3.8
213.09073	27.6
214.09470	2.4
215.10687	6.2
216.09399	1.7
217.08586	3.5
219.08093	1.9
224.08521	2.3
225.09128	14.0
227.10735	1.6
229.08435	2.3
231.08084	3.7
231.10091	1.9
232.08836	2.2
233.09778	1.7
237.09166	1.5
242.09341	1.4
243.07971	3.3
243.10178	18.8
244.10744	1.8
245.09607	5.8
245.11835	2.2
246.10294	1.3
247.07571	3.0
248.08392	2.5
249.09157	3.1
250.09790	1.4
255.10197	6.3
256.08868	1.4
257.09613	4.4
259.07559	2.9
260.08286	1.8
261.09128	5.6
261.53439	1.5
262.09906	3.0
263.06802	1.5
263.10724	3.2
264.07880	4.3
265.08640	4.9
271.07492	2.9
272.08246	1.7
273.11279	63.8
274.11777	4.0
275.06982	2.6
275.10767	1.9
276.07916	4.2
276.11124	1.2
277.08652	4.7
277.12195	2.2
278.09424	3.2
279.06464	2.0
279.10187	1.5
283.09818	2.6
285.09152	2.1
286.09784	2.0
287.07098	2.6
287.10669	2.0
288.07904	2.0
289.08646	4.4
289.12427	2.7
290.05869	1.3
290.09396	3.6
291.07019	2.0
291.10184	8.2
291.13135	1.8
292.07297	3.9
292.10608	2.6
293.08054	4.0
293.11716	4.5
301.08713	2.4
302.09418	2.4
303.10199	6.1
305.08261	3.0
305.11816	4.2
306.08905	2.1
306.12186	1.5
307.09695	12.6
308.10562	6.1
309.11212	1.9
317.11850	3.7
318.08917	1.8
318.12347	2.2
319.09583	3.6
319.13281	1.6
320.10446	1.9
321.11145	9.5
322.12054	2.4
325.10739	4.3
325.14508	1.6
333.11166	3.0
334.11777	3.0
335.12747	6.6
336.13586	2.9
337.10797	1.9
339.12350	3.0
347.13101	2.3
349.14392	7.0
351.12213	15.0
353.14078	3.6
354.14600	23.1
355.15308	1.6
361.14340	3.1
367.15652	4.6
379.15408	13.8
380.15756	1.8
397.16541	100.0
398.16989	10.3
422.50034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01872	2.8
55.05504	1.2
60.93606	0.9
65.03934	1.2
67.05504	3.4
67.30183	0.9
69.03446	2.3
69.07026	1.2
69.43551	0.9
71.04991	1.7
71.31066	1.0
75.89261	1.1
77.13235	1.2
79.05509	4.8
79.25552	0.9
81.03419	2.1
81.07061	3.2
82.23984	1.0
83.04962	1.4
85.02898	2.5
91.05485	13.6
93.07034	4.2
94.04185	2.6
95.04984	2.8
95.08611	4.0
97.06566	1.3
103.05478	4.0
105.07027	6.2
107.04958	3.9
107.08575	4.9
109.02842	1.0
109.06543	1.9
109.10211	1.6
111.04414	1.2
115.05469	4.3
117.03391	1.3
117.07039	1.8
119.04977	6.6
119.05717	1.1
119.08618	3.3
121.06527	2.8
121.10180	2.0
122.03635	9.1
127.03905	1.6
128.06213	7.2
129.07014	10.3
131.04936	3.4
131.08536	5.5
133.02809	1.6
133.06525	1.2
133.10152	2.6
135.11671	1.3
137.05980	100.0
138.06349	2.7
141.06982	5.2
142.07771	3.4
143.08574	3.4
144.05733	3.2
145.06509	3.2
145.10123	1.7
147.04396	4.3
147.08081	2.2
147.11716	2.1
149.05989	4.8
150.06689	1.1
151.03859	1.6
151.07573	11.1
152.06209	1.5
153.05643	1.1
153.06947	5.3
154.07831	2.3
155.08597	7.8
157.06491	4.3
157.10132	2.1
158.07288	4.3
159.08037	7.1
159.11649	1.4
160.05054	1.4
161.05984	13.8
161.09636	3.2
163.07570	2.2
165.07010	6.0
167.08519	2.4
168.05717	1.6
169.06465	3.9
169.10135	1.2
170.07286	3.1
171.08081	6.1
172.05182	1.1
172.08812	4.9
173.09682	2.0
175.07582	4.5
181.06499	3.5
182.07327	8.2
183.08083	5.1
184.05057	1.1
184.08833	3.6
185.05986	3.2
185.09648	12.0
186.06799	2.0
187.07570	7.1
187.11221	2.7
189.09181	3.7
189.12758	2.0
191.07019	5.2
191.10661	1.6
194.07237	2.2
195.08041	4.2
197.06078	2.8
197.09644	8.6
198.06773	18.4
199.07550	11.1
199.11142	3.0
200.08266	3.3
201.09128	5.7
203.08727	1.4
205.06621	1.6
209.09604	1.4
210.06798	4.0
211.07541	4.7
212.08315	5.3
213.09116	25.3
215.08730	1.8
215.10701	7.7
217.06624	1.2
217.08519	2.5
217.10385	2.3
217.12227	1.3
218.07220	1.3
219.08080	1.4
221.09891	1.2
225.09073	12.6
228.07683	1.6
229.08290	1.4
229.10263	2.8
230.07211	1.6
231.08017	4.0
231.09970	1.8
232.08768	1.5
233.09683	2.0
234.06729	1.6
241.10324	1.3
243.08018	2.2
243.10196	19.6
244.08644	1.9
245.09641	5.5
245.11772	2.2
246.10344	1.8
247.07523	2.4
248.08290	2.8
249.09018	2.2
250.09877	1.2
255.10172	6.3
257.09671	2.8
258.06873	1.5
259.07501	1.7
260.08380	2.7
261.09186	4.3
262.09802	2.0
263.10724	1.3
264.07794	3.5
265.05429	1.3
265.08603	3.7
269.09695	1.8
271.07526	3.2
272.08350	1.4
273.11258	69.0
274.06525	1.2
274.09375	1.7
274.12006	2.0
275.07578	1.8
275.10645	6.5
276.07910	4.8
277.08646	6.0
277.11993	1.4
278.09418	3.0
279.10025	1.4
281.08078	1.2
285.09149	4.4
286.09842	2.0
287.10571	1.7
288.07825	3.1
289.08591	5.5
289.12222	3.1
290.09409	3.3
291.10114	7.5
292.07544	2.3
292.10992	3.4
293.08054	4.1
293.11777	3.5
301.08600	3.8
301.11890	1.5
302.09445	3.2
303.10141	5.8
304.10797	2.7
305.08218	2.7
305.11743	5.1
306.08725	2.5
307.09677	12.7
308.10443	6.2
309.11279	1.5
315.10303	2.2
317.11786	4.4
318.08884	2.1
319.09644	2.9
319.13107	1.8
320.10416	3.7
321.11185	6.6
322.11722	2.4
323.12930	1.9
325.10867	2.8
329.11731	1.5
331.09814	1.6
333.11169	4.8
334.11963	2.5
335.12689	8.9
336.13409	3.5
337.14343	2.4
339.12228	3.0
346.12061	1.8
348.13852	1.3
349.14313	6.7
351.12289	15.1
352.12402	1.5
353.13773	3.9
354.14606	22.8
355.14758	2.3
361.14224	2.3
365.13748	2.1
366.14609	2.4
367.15359	4.5
379.15305	13.7
380.15787	2.3
397.16464	91.6
398.16782	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	397.1647
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.02383	1.4
53.03943	2.0
55.01862	3.6
55.05511	2.4
57.03446	1.2
65.03943	3.8
67.05495	4.3
69.03430	5.5
69.07068	1.1
71.04991	2.5
71.30689	1.2
78.50463	1.0
79.05485	6.7
81.03391	2.2
81.07057	3.5
83.05000	1.2
84.41560	0.9
85.02924	1.7
89.03934	2.2
91.05479	18.7
93.03407	5.6
93.07051	3.1
94.04176	2.8
95.04971	4.9
95.08602	3.1
97.02871	1.4
97.06536	1.5
103.05460	4.9
105.07018	7.0
107.04966	2.6
107.08588	1.7
109.02906	1.1
109.06517	3.2
109.10184	2.0
115.05458	10.0
116.06249	1.1
117.07020	3.5
119.04919	7.8
119.08582	2.5
121.06531	2.5
122.03642	6.2
123.08080	1.6
127.03887	1.1
127.05399	1.4
128.06230	28.0
129.07019	20.6
130.07738	0.9
131.04939	4.5
131.08562	6.6
133.02792	1.5
133.06499	2.5
133.10158	2.1
135.04398	1.5
135.11618	1.7
137.05972	100.0
138.06317	4.0
141.06982	11.7
142.07790	5.9
143.08511	5.9
144.05692	3.3
145.06497	5.2
145.10112	1.4
146.03577	1.1
147.04396	5.2
147.08063	1.7
147.11702	2.2
149.05971	6.7
149.09544	1.1
151.03923	1.7
151.07544	14.9
152.06194	2.5
153.05644	1.9
153.06964	10.5
154.07820	5.3
155.06036	3.4
155.08543	16.6
156.09311	1.9
157.06488	8.2
157.10185	2.9
158.07294	4.1
159.08067	7.1
159.11742	1.4
161.05984	15.7
161.09633	3.3
163.07552	1.9
165.06973	8.1
166.07727	2.8
167.07076	1.1
167.08565	3.9
168.05719	2.2
169.06439	5.2
169.10141	1.2
170.07239	2.1
171.08044	6.4
171.11679	1.2
172.05263	2.1
172.08891	5.1
173.05893	1.0
173.09627	3.0
174.06769	1.3
174.10471	1.3
175.07527	5.3
175.11163	1.8
181.06528	2.6
182.07274	8.0
183.04480	1.0
183.08060	5.8
184.05217	1.4
184.08827	4.2
185.06049	3.0
185.09656	12.3
186.06776	3.1
187.07542	8.9
187.11201	3.1
188.08238	1.3
189.09161	2.9
189.12715	2.0
191.07022	6.1
193.06474	1.5
193.29443	1.1
194.07303	2.3
195.08081	4.0
197.06012	2.6
197.09618	10.3
198.06754	15.0
199.07539	9.5
199.11147	5.8
200.08330	4.0
201.09138	5.7
202.07796	2.1
203.08748	1.2
203.10672	2.2
205.08598	1.1
209.09607	1.1
210.06760	4.1
211.07594	5.0
211.82690	1.0
212.08322	5.6
213.09096	25.4
214.09511	1.4
215.06940	1.5
215.08719	1.7
215.10693	7.2
216.09358	1.8
217.08537	2.8
217.10329	2.1
217.12099	0.9
218.07220	1.1
224.08345	1.4
225.09087	14.4
227.10686	1.5
228.07726	1.7
229.08519	2.5
230.07216	1.5
231.08060	2.7
231.10103	1.8
232.08731	1.1
233.06047	1.3
233.09619	2.7
235.07581	1.6
235.13271	1.5
237.09079	1.3
242.09354	2.1
243.07932	1.8
243.10150	18.3
245.05891	1.0
245.09578	3.8
245.11853	2.6
246.10252	1.1
247.07562	2.1
247.11255	1.7
248.08296	2.8
249.05527	1.2
249.09058	1.5
255.10170	7.8
257.09702	3.4
258.06815	1.6
258.10400	1.8
259.07574	2.7
260.08316	2.6
261.09103	6.3
262.09851	2.3
263.07159	1.0
263.10617	2.1
264.07831	2.5
265.08600	3.9
271.07626	3.1
273.11246	71.0
274.06827	1.2
274.09500	1.5
274.11765	3.4
275.07031	0.8
275.07831	0.8
275.10541	4.5
276.07916	2.1
276.11206	1.0
277.08633	5.5
277.12112	3.2
278.09341	3.5
285.09155	3.7
286.09805	1.5
287.07031	2.2
287.10773	1.5
288.07785	2.7
289.08646	5.1
289.12286	4.2
290.09442	3.4
290.12604	1.2
291.10095	5.0
292.07199	3.4
292.10870	3.6
293.08105	3.9
293.11700	4.5
301.08719	3.5
302.09305	3.0
303.10236	4.0
304.10843	2.2
305.08337	1.5
305.11679	4.3
306.08798	2.4
306.12329	1.8
307.09668	11.6
307.13031	1.3
308.10355	5.3
309.11069	1.9
314.09628	1.6
317.11792	4.9
318.12354	2.4
319.09622	3.9
319.13412	2.4
320.10507	2.2
321.11316	7.3
322.11743	1.5
323.12656	1.8
325.10669	2.2
329.11783	1.5
331.09668	1.9
333.11356	3.9
334.11990	3.3
335.12717	7.0
336.13498	3.1
337.14334	2.2
339.12286	3.1
346.11884	1.3
347.12698	1.4
349.10663	1.2
349.14352	6.6
351.12216	11.1
351.16037	1.6
352.12753	1.6
353.13815	3.5
354.14600	18.7
355.15021	2.3
361.14127	1.7
365.13873	1.9
366.14523	1.9
367.15427	4.9
379.15393	13.5
380.15805	2.2
397.16464	90.9
398.16714	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	397.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01849	0.9
57.65445	0.9
61.87669	0.9
62.94627	0.8
65.03920	1.0
67.05473	2.6
69.03430	2.5
70.06577	1.2
70.24039	0.9
71.05000	2.2
71.31232	1.0
75.39153	1.0
79.05479	4.1
81.03395	2.2
81.07066	2.2
83.04974	1.5
85.02901	3.0
86.06065	1.0
86.09708	28.3
88.10098	1.0
91.05486	11.9
93.03375	0.9
93.07028	2.9
94.04157	2.2
95.04951	2.1
95.08597	2.1
97.06522	1.4
100.96291	0.9
103.05476	2.0
105.07037	7.3
107.04950	2.0
107.08574	1.9
109.02843	1.2
109.06487	1.9
110.07184	1.1
111.04424	1.4
114.05500	3.9
115.05440	3.5
117.07045	1.4
119.04945	5.7
119.08606	2.4
121.06503	1.2
122.03642	7.4
123.08022	0.8
127.03939	1.2
128.06221	4.6
129.07004	7.5
131.04916	2.9
131.08572	6.6
133.02835	1.2
133.06488	3.0
133.10120	2.0
135.04440	1.3
135.08076	2.0
136.05103	0.8
137.05981	100.0
138.06322	3.3
141.06958	4.4
142.07782	3.2
143.08577	1.8
144.05693	3.0
145.06465	2.8
146.03673	1.5
146.07249	1.3
147.04419	3.5
147.08105	1.3
147.11647	1.0
149.05946	6.0
149.09560	1.2
151.07541	11.0
152.06200	2.2
153.05417	1.1
153.06999	3.6
154.07712	1.2
155.08565	5.6
157.06456	3.9
157.10060	1.2
158.07259	4.0
159.08080	5.1
161.05988	18.2
161.09647	4.5
162.06442	1.1
163.07512	2.0
165.07021	4.4
166.07693	1.2
167.08531	2.7
168.05687	2.1
169.06447	2.8
169.10037	1.5
170.07225	1.6
171.07986	4.8
172.05157	1.1
172.08827	3.9
173.05934	1.5
173.09517	3.2
174.06776	1.4
175.07497	5.0
175.11206	1.5
179.08539	1.1
181.06461	2.9
182.07304	6.8
183.06598	1.0
183.08076	3.6
184.05197	2.5
184.08809	3.8
185.05975	2.5
185.09604	8.9
186.06795	2.0
187.07559	5.9
187.11171	2.2
189.07108	1.1
189.09053	2.8
189.12759	1.1
191.07042	6.5
193.06601	1.0
193.08563	2.0
194.07228	2.7
195.08089	1.9
196.08739	1.2
197.06001	3.3
197.09567	11.4
198.06735	17.7
199.07553	10.8
199.11163	2.1
200.08299	2.8
201.09134	4.9
202.07916	1.6
203.08632	1.6
203.10608	1.4
209.09541	1.5
210.06747	3.5
211.07565	4.0
212.08331	5.5
213.09108	26.9
214.09474	1.6
215.06871	1.1
215.08792	1.5
215.10661	8.4
217.08495	2.2
217.12100	1.5
217.15886	2.1
223.07521	1.3
224.08167	1.3
225.09120	14.8
227.10667	1.5
228.07716	1.2
229.08238	1.3
229.10255	2.2
231.08028	1.8
232.08832	2.2
233.09599	2.3
233.39078	0.9
235.13243	5.4
237.09119	1.2
241.08612	1.1
242.09290	2.5
243.08139	1.5
243.10181	22.7
244.08601	1.1
245.09605	3.4
245.11800	2.4
247.07599	1.0
248.08200	1.1
249.09035	1.7
255.10236	5.8
256.16629	4.9
257.09537	3.6
258.10513	1.0
259.07529	2.7
260.08276	2.0
261.09085	4.2
262.09903	2.0
263.07010	2.2
263.10706	1.4
264.07883	1.7
265.08585	1.3
269.09717	1.2
271.07425	2.3
273.11240	83.0
274.11795	5.8
275.07224	1.9
275.10626	4.0
276.07913	2.3
276.11093	1.0
277.08643	4.5
277.11880	1.4
278.09161	2.0
279.09991	2.0
284.15952	2.8
285.09042	2.8
286.09918	1.5
287.07086	2.5
287.10568	1.7
288.07974	2.1
289.08514	2.8
289.12061	2.2
290.09271	3.5
291.10205	5.3
291.13177	1.1
292.07465	2.0
292.10602	2.1
293.08084	2.5
293.11716	3.5
294.08676	1.0
301.08505	2.2
302.09378	2.6
303.10010	3.8
304.10620	2.2
305.08121	2.2
305.11594	2.1
306.08890	2.1
306.12326	1.4
307.09744	9.0
307.13083	1.8
308.10214	3.6
309.11105	1.5
315.10208	1.2
317.11462	4.3
318.12384	1.1
319.09760	1.8
320.10410	2.5
321.11179	7.0
322.11774	1.9
323.12790	1.6
325.10684	3.3
331.09647	1.5
333.11139	2.6
334.11987	3.5
335.12720	4.3
336.13290	2.3
337.14130	2.1
339.12125	2.8
346.11905	1.7
347.12756	1.7
349.14233	6.0
350.14600	1.3
351.12189	6.4
352.12683	1.1
353.13745	2.8
354.14594	12.6
355.14996	1.3
361.14157	1.6
367.15393	5.0
379.15512	9.3
380.15115	1.7
397.16431	82.1
398.16824	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	397.1853
Annotation	Lobetyolin
Peak:m/z	Relative Intensity
53.03938	5.6
55.01863	9.0
55.33412	3.5
65.03935	13.0
66.07706	3.9
67.05514	7.4
69.03424	12.3
70.35833	7.9
71.04984	10.4
72.29595	3.3
79.05497	14.1
81.07030	7.6
85.02856	3.7
91.05482	30.6
93.03400	14.3
93.07041	4.6
95.04945	6.3
98.22689	4.1
103.05471	10.9
105.07056	15.6
106.31105	4.0
115.05451	33.9
116.06264	4.9
117.07001	8.7
119.04903	5.8
121.06517	6.2
122.03638	5.1
127.48803	4.1
128.06229	74.0
128.07115	6.7
129.07014	49.0
131.04929	5.9
131.08591	9.1
133.06543	4.6
137.05980	84.4
141.07033	20.4
142.07797	21.2
143.08540	11.0
144.05690	4.3
145.06462	11.1
147.08058	5.6
149.06007	5.9
151.07568	15.0
152.06200	6.9
153.06975	29.3
154.07765	13.9
155.06058	12.6
155.08554	39.5
157.06477	14.6
157.10147	4.2
158.07280	10.9
159.08015	6.4
161.05975	12.0
161.09651	4.5
165.07018	13.5
166.07797	6.9
169.06494	6.4
171.08035	5.3
172.08891	5.7
175.07527	7.4
182.07205	6.3
183.07980	4.5
184.08875	6.7
185.09686	9.1
187.07547	8.5
191.07065	4.0
194.07072	4.6
197.05962	4.4
197.09648	11.7
198.06744	18.3
199.07527	13.7
199.11180	21.6
200.08318	4.4
201.09149	6.0
209.09526	4.5
212.08372	7.6
213.09082	23.0
215.10704	7.3
217.03532	4.1
225.09085	11.1
233.09607	4.9
243.10216	19.4
255.10225	10.1
257.09521	6.2
261.09061	5.4
273.08777	7.1
273.11270	65.7
275.10602	4.4
276.07681	3.7
277.08636	5.6
291.10266	5.2
292.07187	4.7
303.10062	4.9
305.08136	5.1
307.09610	8.6
308.10526	6.0
317.11478	5.7
319.09656	4.7
321.11292	5.5
333.11221	4.4
335.12717	6.1
351.12317	7.7
354.14639	12.2
379.15369	15.1
397.16446	100.0
398.16946	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	397.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	6.5
51.64791	5.8
53.03941	14.1
55.01871	20.4
55.05518	15.4
59.57593	5.7
65.03941	16.3
67.05487	19.4
69.03416	17.4
69.07072	8.5
70.06584	5.5
70.46729	12.6
70.47068	5.8
71.04996	13.8
76.60770	5.8
79.05500	23.1
81.03455	8.5
81.07050	16.0
82.10875	6.0
83.04978	8.6
85.02914	22.0
85.06537	8.0
91.05481	45.9
93.03396	12.9
93.07055	21.1
95.04971	15.5
95.08632	13.8
95.78780	5.9
97.06548	8.8
97.73579	5.9
100.07597	5.5
103.05461	15.2
105.07047	28.2
107.04976	7.6
107.08619	13.3
109.02884	6.8
109.10136	6.3
110.07223	6.0
111.08070	19.9
115.05463	38.7
117.07035	17.5
119.08606	16.3
121.06520	6.4
121.10134	7.5
127.03963	7.6
127.05442	6.5
128.06230	100.0
129.07034	69.5
131.08553	8.7
133.06468	9.2
137.05981	56.7
141.07024	21.1
142.07753	15.4
143.08563	14.1
145.06468	13.6
145.10208	9.1
147.08034	9.4
147.11719	7.4
153.05884	7.0
153.06993	41.8
154.07741	23.5
155.06035	19.4
155.08562	49.3
157.06517	11.5
157.10104	12.7
159.08142	8.0
165.07019	19.7
166.07683	8.7
171.08115	9.2
173.09647	6.3
175.11194	8.3
182.07246	6.5
197.09663	6.0
199.11215	40.8
203.01193	6.9
203.50070	5.9
225.09253	8.4
235.13408	6.1
242.17204	6.3
243.10077	14.1
260.11447	5.8
273.11255	24.4
351.12234	10.9
354.14401	9.1
397.12067	7.6
397.16620	32.5
398.16977	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3102
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
50.36238	1.4
51.49241	1.4
53.03950	3.0
55.05514	13.0
55.05745	2.0
57.07078	6.5
59.04999	1.4
60.62967	1.4
65.03931	2.7
67.05509	19.8
69.07071	22.6
69.16061	6.0
69.16485	5.9
70.14246	1.5
71.05002	1.8
71.08603	1.5
79.05500	19.9
81.07062	43.2
83.08621	7.9
85.06564	2.8
87.04464	11.4
91.05482	19.4
92.86642	1.2
93.07047	50.2
95.04990	4.1
95.08611	66.7
96.08958	1.7
97.06544	2.7
97.10178	3.1
98.22623	3.3
99.08112	1.3
105.04511	1.4
105.07030	40.4
107.08597	98.1
108.08922	2.7
109.06547	10.7
109.10158	32.9
111.08115	3.4
111.11750	3.4
117.07008	3.7
119.08586	35.6
120.09011	1.9
121.06522	2.6
121.10146	100.0
122.10490	3.6
123.08087	6.2
123.11715	14.3
125.05991	4.6
125.09620	2.0
131.07283	1.5
131.08569	10.3
133.07547	1.6
133.10132	28.2
135.08060	3.4
135.11685	35.5
136.12071	2.4
137.05988	2.8
137.09656	3.2
137.13239	8.8
139.07536	3.4
142.07814	2.2
143.08583	6.1
145.10124	14.1
147.08064	4.3
147.11685	29.8
148.11977	1.6
149.09654	2.8
149.13268	20.2
151.07562	5.3
151.11206	2.4
153.09114	2.0
156.09293	1.7
157.10155	6.0
159.11681	12.7
161.13280	11.7
163.07649	2.3
163.11197	4.1
163.14824	18.9
165.09140	4.8
165.12755	4.9
169.10172	1.9
171.11716	6.4
173.09624	2.2
173.13225	11.5
175.11240	4.8
175.14807	8.9
176.15173	1.5
177.12801	3.3
177.16380	13.9
179.10753	5.0
179.14571	2.2
183.11800	2.1
185.13272	5.3
187.11179	2.2
187.14912	6.9
189.12761	3.7
189.16400	9.4
191.10635	1.9
191.14319	7.6
191.17958	61.0
192.18367	2.8
193.12250	53.5
193.15886	2.3
194.12715	2.1
197.13287	1.9
199.14822	3.0
201.12781	3.7
201.16463	4.4
203.14333	3.4
203.17934	13.7
205.12253	1.9
205.15857	1.8
207.11899	1.1
207.13818	35.7
207.15643	2.8
207.17374	2.0
208.14223	2.5
209.15419	2.0
211.14818	2.2
213.16429	3.7
215.14394	1.8
215.17957	2.1
217.19658	3.3
219.13873	7.5
219.17358	1.8
221.15390	5.5
225.16341	1.8
227.18039	2.6
229.16049	1.9
229.19513	1.9
231.13876	1.9
233.15475	4.7
235.16995	4.8
241.19664	2.3
245.15305	1.7
247.17032	3.6
249.18643	2.8
253.30728	1.7
254.20903	1.5
259.17059	1.6
261.18658	2.8
269.22726	1.9
273.18698	3.0
275.20184	2.1
285.22119	1.7
287.20111	3.7
299.20233	1.6
301.21674	3.4
303.23257	7.4
327.23160	2.5
337.29047	1.8
379.30136	9.3
397.14212	1.9
397.31079	86.8
398.31381	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	397.3101
Annotation	6-Geranylgeranyl-2-methylbenzene-1,4-diol
Peak:m/z	Relative Intensity
50.87452	0.9
51.02396	1.0
53.03946	2.7
55.05514	15.7
57.07080	4.7
65.03947	3.1
67.05509	24.2
69.03432	1.7
69.07071	22.7
69.26381	7.1
76.92542	0.9
79.05495	21.5
81.07061	100.0
82.07394	2.5
83.04984	3.6
83.08626	12.3
85.06538	6.3
91.05479	20.9
93.07047	48.7
94.07374	0.9
95.04987	1.7
95.08611	64.7
96.08935	1.3
97.06548	2.1
97.10168	6.1
105.04517	0.9
105.07034	36.3
106.07334	1.1
107.08598	53.8
108.08966	1.8
109.06528	3.5
109.10162	34.3
111.08117	2.3
111.11757	1.6
117.07032	6.2
119.08592	45.4
119.09446	2.3
121.06519	1.7
121.10152	62.3
122.10516	2.3
123.08056	2.3
123.11706	24.0
123.12546	1.5
124.12025	1.1
125.06006	1.7
125.09618	1.8
127.07549	0.9
129.07033	1.8
131.08568	14.4
131.09470	1.1
133.10133	33.5
135.08029	2.5
135.11700	37.2
136.12059	1.8
137.09576	1.8
137.13264	8.3
139.07541	0.9
139.11195	8.8
142.07797	1.3
143.08582	7.5
144.09294	1.8
145.10130	24.1
147.08049	2.7
147.11688	34.4
148.12051	1.9
149.09589	1.6
149.13258	20.9
151.07544	1.1
151.14850	2.0
153.09084	2.2
155.08554	2.1
156.09296	2.1
157.10139	10.5
158.10968	1.1
159.08055	1.1
159.11700	26.7
160.12161	1.8
161.09627	2.6
161.13271	23.4
163.11189	3.6
163.14836	15.6
165.09132	1.1
165.12794	1.3
169.10170	2.9
170.10928	1.1
171.11697	9.6
172.12527	1.2
173.09636	2.0
173.13266	14.9
174.13795	1.4
175.11166	4.7
175.14830	11.7
177.09138	1.6
177.12741	4.5
177.16344	6.1
179.10725	1.7
181.10052	1.3
183.11688	2.2
185.13237	6.1
187.11172	1.7
187.14836	9.6
188.15396	1.2
189.12779	5.4
189.16373	12.1
191.10732	4.0
191.14365	4.6
191.17924	9.7
193.12260	3.5
197.13312	2.6
199.11147	1.1
199.14865	6.4
201.12709	2.1
201.16415	12.5
203.10770	1.1
203.14359	2.2
203.17969	9.0
205.12308	2.5
205.19550	1.2
207.13774	5.4
209.15346	1.1
211.14874	4.1
213.12778	1.2
213.16408	7.4
215.14265	1.2
215.17949	9.1
217.12285	2.2
217.16182	2.4
217.19518	20.4
219.13884	1.7
221.15282	2.1
223.14798	2.8
225.16330	2.1
227.17937	5.2
229.15910	1.4
229.19568	3.2
231.13838	2.4
231.17381	1.8
233.15388	1.8
235.16948	1.2
239.18028	2.2
239.73474	1.1
241.15967	1.5
241.19435	4.7
243.17458	1.2
243.21109	2.9
245.15387	2.9
247.17010	2.4
252.98129	1.2
253.19534	2.3
255.17453	1.3
255.21153	3.3
257.19135	1.6
257.22824	2.4
259.16931	3.2
261.18506	1.5
267.21191	2.1
269.22626	1.6
273.18552	3.0
275.20151	1.7
280.98160	0.9
283.20621	1.4
285.22256	1.9
287.20026	5.0
289.21710	1.8
295.24377	1.3
297.22394	1.0
299.20123	1.1
301.21564	5.0
303.23181	2.1
309.25696	1.4
313.21686	1.8
315.23294	3.1
327.23050	2.8
337.25223	1.1
341.24945	1.8
351.30405	7.2
355.26398	2.2
361.29056	2.7
379.29944	15.9
380.30261	1.9
397.31064	83.3
398.31454	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	398.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	3.3
56.96565	11.3
57.03445	9.1
67.05495	7.0
69.03442	3.9
69.07090	4.5
70.06593	8.6
71.05000	90.7
71.29891	4.3
72.08165	4.2
74.06097	4.7
79.30090	4.0
83.04980	3.9
83.06111	3.8
84.08138	7.2
85.02920	27.2
85.06543	17.3
89.02413	5.9
95.04958	10.1
96.27670	3.6
97.02892	14.2
98.97599	21.5
110.07194	12.4
113.06020	13.0
116.98618	14.2
117.05537	13.4
120.08097	5.6
127.03910	5.3
128.98624	8.6
131.06995	4.2
135.84822	4.3
136.06226	10.4
141.01791	4.0
170.99698	5.8
183.10118	5.8
187.09674	100.0
201.07631	7.2
213.00682	6.2
219.01704	6.7
237.02812	12.6
250.09450	4.8
250.16173	3.6
357.04895	15.7
363.12866	18.4
398.10785	9.7
398.21436	5.0
399.12518	16.3
399.16443	15.6
414.65076	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14240	1.7
55.01877	8.1
57.03441	22.4
59.05008	3.8
61.02938	14.0
67.42015	2.1
69.03434	31.3
69.07067	29.4
69.38569	6.4
69.38979	6.2
70.82221	2.0
71.01353	4.5
73.02919	75.3
74.03238	2.5
76.68896	1.9
81.03419	6.1
85.02908	100.0
86.03223	2.0
87.04483	5.2
87.08107	2.6
91.03974	5.5
91.33544	2.0
92.63884	2.1
93.07065	2.2
97.02895	53.4
97.48366	1.7
99.04483	3.0
103.03933	3.8
106.57992	1.8
109.02868	10.4
111.08121	2.1
115.03928	27.7
123.08081	2.3
127.03925	31.5
133.04967	41.5
143.75185	2.1
145.04977	49.0
153.09055	2.0
163.06027	32.9
183.10220	2.6
195.10106	2.3
199.06107	2.4
213.11255	2.3
217.07004	2.2
223.06076	5.7
241.07141	8.8
259.08157	13.3
270.67267	2.0
277.09274	3.1
295.10196	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	398.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93655	1.2
53.03947	3.9
55.01872	9.7
57.03439	21.4
59.05017	2.2
61.02927	17.8
63.61969	1.4
67.05535	1.3
69.03429	39.7
69.07076	7.3
70.34839	2.3
70.35163	2.0
71.01357	5.4
71.04984	2.2
73.02920	92.5
74.03271	1.6
81.03409	8.8
81.07060	6.1
85.02907	100.0
86.03236	1.9
87.04481	6.1
91.03974	5.0
91.05472	2.4
93.07015	3.3
95.04978	2.2
95.08614	3.1
97.02894	56.4
99.04460	6.3
103.03962	7.3
103.05473	45.6
105.07033	2.4
109.02885	9.8
109.06576	1.6
111.08096	5.7
115.03934	29.9
117.05495	1.6
119.08636	2.5
121.06487	2.0
123.08065	2.6
127.03924	31.5
130.04153	1.6
131.04929	92.5
133.04988	34.0
135.08063	2.6
137.09660	1.4
145.04967	45.8
147.08069	2.5
147.55379	1.5
148.05188	15.6
150.07710	1.4
153.09100	4.6
161.05911	3.2
163.06036	30.3
163.07564	42.3
165.09145	4.8
177.09109	3.2
183.10187	6.2
195.10208	7.8
201.11250	3.1
213.11249	5.9
219.12282	3.4
223.06018	4.7
236.20454	1.3
241.07101	7.7
249.13301	1.8
259.08200	8.6
260.57233	1.3
295.10355	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01874	6.3
57.03442	15.6
61.02932	11.7
67.05523	1.3
69.03432	29.7
69.07068	1.6
70.06604	6.3
71.01353	4.6
71.04988	3.5
71.31117	1.0
72.08157	4.1
73.02921	63.3
74.78941	1.0
79.05492	1.3
81.03419	7.9
84.08157	2.6
85.02911	100.0
86.03238	2.8
86.09713	3.5
87.04475	3.4
91.03957	4.1
93.07020	1.3
95.04265	1.1
97.02274	2.6
97.02897	50.9
98.97569	1.4
99.04478	3.4
103.03959	3.4
103.05473	17.6
105.07082	1.5
109.02876	8.5
110.07175	7.0
113.55396	1.1
115.03935	19.1
127.03918	30.9
129.10225	1.5
131.04927	34.8
133.04973	32.1
136.06296	1.3
136.07564	1.9
137.05959	1.7
145.04965	52.1
146.05249	1.7
148.05127	5.4
151.03777	1.5
152.07074	4.2
157.04988	1.4
163.06046	24.9
163.07561	16.7
170.16982	1.1
177.05554	1.9
181.04993	1.6
193.04897	1.1
194.08122	3.6
199.06070	2.6
207.06555	1.8
212.09184	2.9
219.01878	1.7
223.05988	5.9
236.09093	1.1
237.07462	1.9
238.66255	1.2
241.07043	6.2
249.13365	5.0
250.09473	1.7
259.08151	8.0
265.28668	1.3
277.09131	2.3
295.10297	4.0
355.09946	1.5
398.08881	1.5
398.14261	3.9
399.08975	4.6
399.12921	27.4
399.16510	1.0
399.17636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	2.2
53.03944	4.2
55.01870	3.0
55.05502	1.3
65.03941	17.9
65.49352	1.2
67.05511	3.9
69.03450	6.0
70.53600	2.3
71.04996	27.7
79.05497	17.2
81.03418	2.2
81.07054	3.2
82.49834	1.1
85.02910	9.5
91.05481	25.3
92.05882	1.5
93.03409	100.0
93.07047	4.4
94.03741	3.0
95.04973	3.9
97.02874	2.6
103.05468	2.8
105.07010	10.0
107.04959	3.6
107.08595	5.1
109.02908	1.5
109.06507	1.6
115.05445	6.1
116.06238	3.9
117.07018	10.4
119.08579	3.9
121.06494	6.1
127.03943	2.1
128.06236	7.5
129.07008	11.9
130.07787	2.6
131.08571	15.2
135.08087	6.7
137.05963	2.4
138.06355	1.2
141.06973	6.6
142.07780	7.0
143.08542	5.5
145.04953	2.6
145.06454	3.5
145.10143	6.3
153.07040	7.7
155.06029	1.5
155.08603	7.0
157.10175	2.8
159.08063	4.0
163.06071	1.3
167.08537	2.3
171.08006	1.5
172.08766	1.3
173.09674	6.1
173.13383	1.4
194.25308	1.2
201.12752	17.9
202.12949	1.2
256.67532	1.3
328.85925	1.2
398.27747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	56.7
55.05521	25.3
65.03944	15.3
66.91177	15.1
67.05503	36.8
69.03445	38.4
69.07032	23.2
71.04988	49.6
71.30540	26.9
76.58147	16.2
79.01844	20.3
79.05495	70.0
81.07053	73.9
85.02908	76.0
85.06544	21.0
91.05497	100.0
93.03426	21.3
93.07039	54.7
95.04976	35.5
95.08596	41.2
97.02917	23.1
100.11226	19.4
105.07046	72.3
107.04951	29.0
107.08595	36.9
109.06497	24.1
109.10174	27.0
111.08095	41.2
117.07007	40.7
119.08591	40.9
121.06507	47.1
121.10150	20.0
129.07025	45.1
131.08578	62.9
133.10114	23.7
135.08035	25.3
137.05963	42.1
142.24702	20.3
145.10075	17.9
147.08131	23.0
147.11723	21.3
149.13234	18.8
159.11679	26.2
161.52882	14.9
173.13304	23.4
175.11206	38.3
181.05132	18.8
219.13820	31.2
398.16708	23.8
398.21616	30.0
398.31577	25.3
399.14966	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.6
69.93053	1.2
71.95258	2.6
98.97583	92.6
99.97909	0.5
103.66772	0.3
116.21593	0.3
116.98622	44.7
117.98988	0.3
130.93295	0.8
134.99661	12.5
140.00201	0.7
152.67657	0.3
152.68903	0.3
153.00708	0.8
154.93355	0.4
172.94334	4.2
190.95439	3.5
197.95175	0.6
208.96466	1.0
214.95390	3.2
232.96454	7.3
250.97513	3.3
256.96423	14.7
258.99820	2.7
274.97501	100.0
275.97827	2.5
277.00821	3.3
283.00031	0.6
284.00040	0.4
284.99756	0.5
292.98560	58.1
293.98993	1.6
297.99097	1.5
298.97867	0.5
301.01031	1.1
303.00732	0.5
310.99554	0.7
316.00232	0.7
316.98752	0.9
344.02301	0.3
357.03659	0.8
374.98364	0.4
398.97568	1.3
416.98779	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	398.9765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	9.1
56.96849	0.5
61.84005	0.2
69.95309	0.8
70.06599	0.5
71.95268	2.6
78.24179	0.3
84.04470	0.3
84.08120	0.4
84.96001	0.3
85.02900	0.9
86.05574	0.2
87.81027	0.3
97.02909	1.0
98.97588	92.4
99.97906	0.8
101.00915	0.6
102.05492	0.3
110.07173	0.7
110.97567	0.5
116.98627	47.4
117.99007	0.4
119.01968	0.5
121.28477	0.4
128.98579	0.5
130.93320	0.8
131.01903	0.3
134.99666	14.3
136.06180	0.9
137.05991	0.4
140.00252	0.6
143.01933	0.3
145.03452	0.3
146.99652	0.4
147.04327	0.3
153.00703	1.1
154.93369	0.7
158.01317	0.7
158.99687	0.3
161.01195	0.6
161.02899	0.6
170.20941	0.3
172.94362	4.6
187.04611	0.3
190.95370	3.7
195.01500	0.4
197.03093	0.5
197.95119	0.5
208.96553	1.3
213.00713	0.6
213.02617	0.5
214.95407	3.5
216.98851	0.4
219.01819	0.8
221.05119	0.3
223.01123	0.3
230.98538	0.5
231.01497	0.3
232.96469	7.4
237.02667	1.1
250.09433	0.8
250.97525	3.9
255.03535	0.6
256.96445	12.7
258.99756	3.0
267.03784	0.4
274.97510	100.0
275.97784	3.4
276.98038	0.5
277.00815	3.3
279.03586	0.4
281.05023	0.4
292.98572	60.5
293.98950	1.6
296.94861	0.4
297.99158	1.3
301.01053	0.3
309.04877	0.3
310.99463	0.4
314.95551	0.7
316.00211	0.8
327.09698	0.3
332.96695	0.5
339.05457	1.7
339.09543	0.7
356.96445	0.6
357.06714	2.0
363.12183	0.6
398.97525	1.2
399.07642	0.5
399.12680	9.5
400.12985	0.4
416.98697	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
56.05050	1.0
56.96567	31.4
57.07097	0.6
57.35134	0.4
60.78398	0.5
69.03431	1.7
70.06579	1.5
71.30180	0.8
71.95261	3.0
72.08176	0.7
74.97627	0.5
81.03406	0.6
84.08144	1.4
84.96044	7.2
85.02919	3.0
86.09721	0.5
96.09131	0.5
97.02894	4.8
97.96822	0.5
98.97586	100.0
99.97913	1.0
102.05539	1.7
102.97038	1.2
110.07164	1.5
110.97576	9.5
111.91302	0.5
112.99142	2.2
116.98624	63.8
119.01923	1.1
124.99122	1.4
126.97075	1.0
128.98611	12.6
129.05504	0.6
130.93335	0.9
131.00166	2.9
131.01883	0.7
134.99661	27.8
136.06181	4.4
140.00218	1.3
140.98582	1.3
143.00174	6.7
144.98091	1.5
146.99643	8.3
147.03116	0.6
147.65314	0.5
149.01201	1.9
153.00734	2.9
158.01283	1.2
158.99661	5.7
161.01221	14.3
162.99126	1.6
163.04015	0.4
165.00818	0.6
167.02205	0.7
169.01750	1.7
170.99550	3.0
172.94330	3.5
176.98627	1.3
177.00723	8.6
179.02324	4.1
181.03459	0.6
182.99658	1.5
186.91672	0.5
187.02841	1.5
189.00757	4.2
190.95363	4.0
194.99664	3.9
195.01454	1.2
197.01292	0.6
197.02989	1.1
201.00687	6.3
207.01762	1.4
208.96440	1.1
213.00711	28.9
213.02322	1.3
213.12357	0.7
214.95409	1.9
219.01762	24.1
220.01979	0.5
225.02734	0.5
231.01765	18.5
232.96440	6.0
237.01079	1.3
237.02802	34.4
238.03110	1.4
242.03265	0.7
246.90996	0.6
247.05083	0.7
250.09302	3.9
250.97475	3.3
255.01291	2.7
255.03992	3.8
256.96454	8.5
258.99847	1.7
260.04166	0.6
261.02887	1.6
267.01468	0.6
273.02841	1.8
274.97507	69.8
275.97772	2.0
277.00824	2.8
279.01379	0.9
279.03738	1.9
281.03021	1.1
285.02817	0.7
291.01718	4.2
292.98569	46.3
293.98849	1.2
297.02710	1.0
297.99161	2.6
299.04315	1.1
309.02573	0.7
310.99664	0.7
316.00259	1.1
318.46063	0.6
321.02371	1.1
327.04013	0.6
335.55585	0.6
339.03577	8.6
357.04767	15.2
358.05734	0.7
365.43594	0.5
375.05902	2.4
393.08716	0.8
398.97977	1.2
399.06012	20.2
399.12512	38.3
400.06223	0.8
400.12912	2.6
416.98645	1.4
417.06949	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	399.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90080	8.5
53.69162	8.6
56.05017	10.7
61.01147	8.1
66.90225	7.8
69.03441	14.1
70.06597	17.7
71.27227	11.9
71.27577	8.7
73.84035	8.2
85.02898	13.1
97.02892	95.1
98.97593	57.1
102.05524	40.7
110.97559	16.9
116.98610	14.0
136.06186	98.9
146.06050	9.3
158.99710	40.6
165.18741	8.8
170.99652	23.0
177.00734	22.1
189.00757	15.2
219.01817	28.3
228.05777	41.8
228.55954	13.9
249.02846	19.9
250.09402	70.0
279.04077	12.0
279.18985	9.8
365.93350	8.5
399.07184	16.4
399.12589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04952	0.8
56.53733	0.7
56.96458	6.8
56.96770	2.2
57.54211	0.6
61.72363	0.6
64.53598	0.7
69.03339	0.9
70.06482	2.7
70.06875	1.1
71.30446	1.2
71.95142	2.3
72.08080	1.5
75.08124	0.7
84.04420	0.8
84.08067	1.1
85.02828	1.1
97.02761	6.3
98.97454	81.4
98.98492	2.8
102.05428	2.0
110.07027	3.6
110.97430	0.9
111.07445	0.7
116.98628	46.6
116.99400	2.6
119.01798	1.2
128.98476	1.4
130.93216	1.5
131.01848	0.8
134.99666	21.3
136.06218	7.2
140.00073	1.2
153.00633	1.7
161.02753	0.8
172.94354	5.0
174.97588	1.2
177.00728	1.0
177.05414	1.3
189.00659	1.0
190.95410	5.5
192.98601	1.1
198.98520	1.1
205.04622	2.2
208.96358	2.0
213.02341	0.8
214.95308	2.7
219.01775	1.7
221.04884	0.8
230.63641	0.7
230.94084	0.8
232.96494	7.7
236.06535	1.3
237.02652	2.1
237.07281	4.9
249.01390	1.0
250.09377	5.5
250.97517	4.9
254.94269	1.8
255.03513	1.8
256.96423	13.2
258.99707	3.2
261.02756	1.2
266.94287	1.5
267.03516	1.1
272.95297	2.1
274.97510	100.0
275.97891	1.9
276.97830	1.3
277.00812	2.8
279.03653	0.8
290.96979	1.6
292.98581	60.4
293.98981	2.0
296.95105	1.2
297.98978	2.0
298.97742	1.0
301.01279	1.6
308.95407	1.5
314.95825	1.0
316.00061	1.7
316.98959	2.6
326.96585	0.9
339.05795	2.1
357.06656	3.2
381.11234	1.0
399.12756	74.3
400.12790	5.0
417.00519	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	399.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03295	6.2
52.83515	5.6
56.05028	8.4
56.96564	10.6
57.07071	10.5
63.01413	5.7
69.03438	6.7
69.34396	5.1
70.03826	12.0
70.04182	20.8
70.06604	16.6
72.49130	5.8
74.06081	7.1
74.43932	5.9
74.50158	6.5
84.08150	24.6
85.02920	8.9
86.09706	6.9
97.02903	48.5
98.47529	6.3
98.97590	39.8
101.06052	6.4
102.05544	14.5
103.05479	15.1
110.07188	19.9
116.98629	24.7
121.06583	5.8
129.05482	14.0
131.04918	38.8
134.85910	6.0
135.77290	5.2
136.06192	44.6
147.06549	6.7
148.58525	5.4
163.07535	11.4
167.68890	6.4
232.49443	6.1
237.02815	8.8
250.09361	39.0
274.97577	22.0
292.98636	13.3
350.18927	7.0
367.92700	7.2
399.11752	100.0
399.29758	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98653	0.4
56.96300	0.6
56.96568	11.9
57.03444	0.6
57.87040	0.4
61.02927	0.5
62.65223	0.4
66.11050	0.4
67.20910	0.4
69.03419	2.4
70.06590	0.9
71.01345	0.4
71.05019	0.4
71.29733	0.5
71.30090	0.4
71.95265	2.5
80.95720	0.4
81.03394	0.5
82.14761	0.4
84.08132	1.0
84.96039	1.6
85.02903	4.3
86.09719	0.5
88.65974	0.4
97.02888	3.2
98.97585	87.5
99.97901	0.6
101.00882	1.9
102.05540	0.9
103.03941	0.5
109.02886	0.6
110.07123	0.6
110.20484	0.4
110.97579	2.6
111.04448	0.3
112.99096	0.5
113.00850	0.9
116.98626	52.3
117.98972	0.4
119.01923	5.1
127.03953	0.7
128.98628	2.8
130.93283	0.9
131.01941	1.9
134.99664	20.9
136.06210	2.9
137.05933	0.5
140.00206	0.9
143.00169	1.2
143.01921	1.8
145.03500	2.2
146.99631	0.4
153.00687	2.2
154.93259	0.5
155.01920	1.3
157.03452	0.7
158.01349	0.6
158.99673	4.0
161.01245	1.7
161.03017	3.8
169.03476	0.7
172.94368	3.5
173.02992	1.4
175.04573	0.4
177.00726	3.2
181.03500	0.9
183.01448	0.7
183.05049	0.6
185.02959	1.0
190.95389	3.6
194.99695	0.7
195.01405	1.3
197.03020	3.6
197.95087	0.5
198.03282	0.4
199.04559	0.7
201.00824	0.6
203.03995	1.6
207.05075	0.5
208.96434	1.6
209.02966	1.2
211.04564	1.0
213.00645	3.5
213.02510	4.0
214.02655	0.5
214.95367	2.6
215.03970	0.6
219.01758	4.8
221.03128	0.7
221.05116	1.8
223.00912	0.8
223.04660	1.0
228.05809	0.5
229.95189	0.4
230.98421	0.4
231.01634	1.7
231.03543	1.8
232.96468	7.7
235.04486	1.1
237.02605	10.1
237.05223	0.6
237.06064	0.8
238.02846	0.5
239.04097	0.7
241.02145	0.6
244.04477	0.8
245.05199	0.5
249.02582	2.1
249.05119	0.5
250.02988	0.4
250.09422	2.1
250.97539	3.9
251.04141	0.5
253.84023	0.4
255.03601	6.4
256.96420	13.1
257.96765	0.5
258.99701	2.1
261.02582	1.2
263.04010	1.7
267.03531	2.0
273.04700	0.6
274.97507	97.2
275.97937	2.6
277.00812	3.0
279.03677	2.4
281.05371	2.1
285.04333	0.5
291.03558	1.8
292.98575	58.9
293.98874	2.3
297.04788	2.3
297.99161	2.9
303.07443	2.0
310.99570	0.6
314.95734	0.5
316.00082	0.8
321.04871	0.8
321.08356	1.2
339.05756	13.0
339.09384	0.6
340.05820	1.9
340.84604	0.4
356.96967	0.5
357.06775	11.2
357.10498	0.4
358.06683	1.6
375.07709	1.2
381.11584	3.7
393.08932	2.6
399.12625	100.0
400.12775	7.5
416.98438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47095	0.6
56.96569	3.0
57.03448	0.7
69.03430	0.6
69.47832	3.2
70.06592	1.5
72.08144	0.6
83.91956	0.6
84.08146	0.6
84.96029	0.9
85.02914	0.6
97.02866	2.6
98.97589	9.0
102.05555	1.0
106.02707	0.5
110.97563	1.0
116.98612	4.6
128.98631	1.0
134.99672	1.1
136.06194	12.2
143.00250	0.9
146.99588	0.8
158.99709	0.8
161.01218	0.5
169.01738	0.5
170.62111	0.5
198.24393	0.5
213.00751	0.9
219.01785	1.9
222.04483	0.9
237.02783	1.7
250.09404	1.8
268.10428	1.1
274.97501	5.9
290.87424	0.6
292.98532	3.0
339.04007	1.8
370.72754	0.5
375.97397	0.7
399.12616	100.0
400.13080	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	399.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05512	0.7
58.00927	0.3
60.25912	0.4
67.05542	0.5
69.03422	1.1
69.07069	0.6
70.06596	1.0
71.04968	0.4
79.05497	0.9
81.07057	1.1
83.04987	0.7
83.08607	0.4
85.02917	1.3
86.09723	0.9
89.26093	0.4
90.16373	0.4
91.05456	0.8
93.07042	0.6
95.05001	0.6
97.02915	1.2
98.22540	0.6
100.11292	0.4
102.05553	0.4
105.07037	1.3
107.08551	0.4
109.06520	0.5
109.10159	0.8
110.81853	0.3
119.08630	0.6
121.06527	0.5
121.10156	0.8
127.03899	0.4
130.57829	0.4
131.04906	0.5
133.10150	0.5
136.06195	0.7
137.05994	0.6
145.10092	0.4
147.11679	0.6
167.07187	0.4
182.15388	0.4
187.03719	0.9
202.06004	9.3
203.06514	0.4
214.27094	0.4
219.13843	1.3
219.17520	0.8
250.09322	0.7
359.87665	0.4
399.14151	100.0
400.14462	10.8
400.19113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1415
Annotation	D 4476
Peak:m/z	Relative Intensity
55.01852	0.5
55.05512	0.7
58.00927	0.3
60.25912	0.4
67.05542	0.5
69.03422	1.1
69.07069	0.6
70.06596	1.0
71.04968	0.4
79.05497	0.9
81.07057	1.1
83.04987	0.7
83.08607	0.4
85.02917	1.3
86.09723	0.9
89.26093	0.4
90.16373	0.4
91.05456	0.8
93.07042	0.6
95.05001	0.6
97.02915	1.2
98.22540	0.6
100.11292	0.4
102.05553	0.4
105.07037	1.3
107.08551	0.4
109.06520	0.5
109.10159	0.8
110.81853	0.3
119.08630	0.6
121.06527	0.5
121.10156	0.8
127.03899	0.4
130.57829	0.4
131.04906	0.5
133.10150	0.5
136.06195	0.7
137.05994	0.6
145.10092	0.4
147.11679	0.6
167.07187	0.4
182.15388	0.4
187.03719	0.9
202.06004	9.3
203.06514	0.4
214.27094	0.4
219.13843	1.3
219.17520	0.8
250.09322	0.7
359.87665	0.4
399.14151	100.0
400.14462	10.8
400.19113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	Pyramidatin H
Peak:m/z	Relative Intensity
55.05484	2.4
65.76569	0.6
67.05467	1.9
69.07032	1.9
70.06570	1.3
71.30422	1.0
71.30826	0.7
79.05487	1.5
81.07037	2.5
88.07592	2.2
91.05463	1.4
93.06998	2.1
95.04938	0.7
95.08569	2.6
97.10124	0.7
104.15771	0.8
105.07027	1.7
107.08561	2.1
109.10165	1.6
117.86638	0.7
119.08567	2.6
121.10130	1.8
123.11662	1.0
129.06955	0.7
131.08502	0.9
133.10132	1.7
135.08043	0.9
135.11664	0.8
137.57243	0.6
141.06929	0.8
143.08513	0.7
145.06462	0.7
147.11726	0.7
150.11166	1.0
152.06320	0.7
153.06970	1.1
153.87720	0.8
155.08574	1.0
165.05714	0.8
165.06915	3.2
166.07698	1.3
167.08577	1.3
168.05731	1.0
169.06541	1.2
169.10152	0.7
175.70413	0.7
177.07021	1.1
178.07806	1.7
179.08492	3.0
180.09192	0.8
181.06488	3.9
181.10081	1.6
182.07234	1.8
183.08073	3.2
184.05190	1.6
185.09633	0.9
189.06911	0.9
189.16306	0.8
190.07759	0.9
191.08615	1.0
192.05699	1.0
193.06490	1.9
194.07283	2.0
195.04388	0.7
195.08069	3.6
196.08809	2.7
197.06012	4.3
197.09543	1.4
198.06743	2.7
199.07497	3.1
205.06447	1.0
206.07266	1.5
207.08072	5.5
208.08640	2.4
209.05983	2.7
209.09590	3.9
210.06776	4.9
211.07521	7.3
211.11115	2.0
212.04628	1.3
212.08125	1.2
213.05492	1.4
213.09052	2.1
214.06184	1.3
218.07182	1.2
219.08028	1.7
220.05157	1.1
220.08817	1.4
221.05992	2.9
221.09579	1.7
222.06599	3.2
223.03935	1.7
223.07521	4.2
224.04655	1.8
224.08296	9.9
225.05521	4.7
225.08965	3.3
226.06261	4.5
226.10045	0.9
227.06969	5.4
228.07629	1.3
233.05971	1.2
233.09634	1.6
234.06750	2.9
234.10245	1.0
235.07498	9.8
235.11153	0.8
236.04749	1.1
236.08359	5.5
237.05400	4.7
237.09097	7.5
238.06155	3.5
238.09779	1.4
239.07014	9.4
239.10661	8.1
240.04158	0.9
240.07724	4.5
241.04929	3.2
241.08566	6.3
242.05701	3.0
243.06476	1.1
247.07423	1.0
248.08331	1.7
249.05394	1.3
249.09055	3.9
250.06252	3.4
250.09930	2.6
251.07030	6.0
251.10629	1.6
252.03896	0.9
252.07822	10.5
253.04956	4.6
253.08598	4.5
254.05746	6.7
254.09416	4.5
255.06505	10.4
255.09720	1.3
256.07224	5.1
257.08063	2.9
261.09042	2.1
263.07086	5.9
263.09705	1.1
264.07849	3.2
265.05035	2.3
265.08585	11.3
265.11908	1.5
266.05655	1.8
266.09363	4.0
267.06561	8.0
267.10156	22.8
267.90576	0.8
268.04184	1.0
268.07281	7.4
268.10297	1.4
269.04456	3.4
269.08069	9.6
269.11734	2.2
270.05240	3.2
270.08563	1.8
271.05975	2.4
271.09555	1.1
277.08588	2.6
278.05954	0.7
278.09177	3.1
279.06808	4.1
279.10135	3.4
280.07275	5.8
280.10501	1.5
281.04904	5.2
281.07574	5.2
282.05167	2.0
282.08835	10.1
283.05978	6.5
283.09488	3.1
284.03217	2.6
284.06760	11.3
284.09961	0.8
285.07523	12.4
286.08102	1.2
291.10199	1.9
292.07425	1.2
292.10800	0.8
293.08060	9.1
293.11658	2.7
294.05618	0.9
294.08792	8.0
295.06064	5.7
295.09656	26.6
296.06744	6.1
296.10220	3.1
297.04108	2.1
297.07565	13.8
297.11203	18.9
298.04633	2.4
298.08224	4.4
298.11432	1.6
299.05551	9.4
299.09143	22.0
300.06064	1.4
300.09302	1.4
305.08054	2.9
306.05328	0.9
307.09607	2.0
308.07123	0.9
308.10541	2.1
309.07574	5.7
309.11267	2.4
310.04990	1.1
310.08334	6.8
311.05484	9.3
311.09097	4.6
312.06128	3.7
312.09891	3.0
313.07056	11.8
313.10358	1.1
314.07800	1.4
315.05130	0.9
315.08478	1.6
318.08920	1.3
319.09625	2.8
320.10223	1.2
321.07571	3.5
321.11301	2.7
322.08212	1.5
323.09229	1.5
323.12814	4.0
324.09833	5.6
325.07193	3.3
325.10684	54.7
326.07861	38.1
326.11261	5.5
327.04932	5.1
327.08603	26.1
327.12314	6.4
328.08966	1.6
328.12558	1.1
329.10193	1.5
335.09244	1.6
336.10010	3.3
337.10706	3.9
339.08539	1.4
339.12061	3.5
340.09372	5.4
341.10147	2.2
341.14136	0.8
342.07373	13.6
343.07706	1.2
350.11545	2.4
351.08322	1.1
351.12299	14.8
352.12598	0.9
355.11771	100.0
356.12155	9.9
357.09683	48.6
358.10037	3.6
366.10968	1.4
367.11526	1.4
369.13330	21.3
370.13669	2.4
381.13324	9.4
398.36267	1.9
399.14398	67.4
399.36911	1.1
400.14804	6.6
400.37781	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	399.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35604	1.1
53.03951	5.4
53.84723	1.1
55.01640	1.6
55.01862	6.3
55.05510	4.3
56.05032	1.2
57.03437	6.2
61.02937	6.2
67.05510	3.3
68.99810	1.6
69.03431	32.4
69.07072	6.0
70.06593	11.4
71.04987	4.3
71.08640	1.4
72.03777	1.2
72.08161	4.6
73.02917	10.5
77.36562	1.1
79.05495	2.4
81.03421	22.0
81.07066	2.8
84.08179	1.7
85.02908	100.0
85.10185	1.7
86.09708	8.0
87.00837	33.2
87.04466	2.1
91.05478	1.8
93.07059	2.8
95.05009	1.8
95.08598	1.4
95.10302	1.3
97.02892	40.3
99.04465	13.3
100.11243	6.6
101.06030	1.5
105.01869	56.4
105.07027	2.9
107.05022	1.5
108.04524	1.6
109.02879	28.9
109.03584	2.3
111.04431	2.4
115.03944	2.1
116.07099	4.4
117.01870	2.4
121.06531	1.4
127.03919	79.2
128.07072	2.0
129.01822	4.2
129.05544	1.8
130.06471	1.3
133.05009	2.1
133.10178	2.3
136.06190	3.4
137.05942	1.7
145.04964	44.7
146.05301	1.9
147.02898	2.3
159.02879	18.1
159.04065	1.8
159.11771	2.1
163.03922	2.3
163.05997	2.6
177.03915	1.5
182.15439	3.5
185.12975	1.5
189.03955	2.6
210.14920	5.1
213.03902	1.8
213.12425	1.5
220.35497	1.3
231.05037	21.7
249.06041	4.5
250.09425	1.8
321.11102	1.4
354.23993	2.3
383.41428	1.4
398.32538	2.4
399.19867	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
53.58547	0.6
54.29170	0.6
55.01874	1.2
55.05507	1.1
56.05035	0.7
57.03200	0.6
57.03442	7.6
60.04493	0.8
61.02916	2.8
66.39468	0.5
69.03439	10.0
69.07034	0.6
70.06596	5.4
70.17034	0.6
71.04987	1.3
71.21980	0.5
72.08149	2.7
73.02911	1.8
75.04459	1.1
79.05475	0.7
81.03415	5.3
84.08148	1.8
85.02908	28.9
86.09699	3.0
87.04461	1.8
91.03948	0.9
91.05499	1.1
93.05540	0.7
95.04958	0.8
95.71565	0.6
97.02896	9.1
99.04481	2.8
101.02352	0.7
102.04678	0.9
102.05576	1.4
103.03963	2.1
103.05473	47.8
104.05817	1.4
105.07030	1.3
107.04972	1.1
109.02885	4.4
110.07164	1.4
111.04416	0.8
116.07111	0.5
117.05534	1.8
123.08055	0.7
127.03927	6.9
129.10234	0.8
130.04140	1.7
131.04930	100.0
132.05219	3.0
133.06512	1.4
136.06178	3.6
145.04941	4.2
148.05196	13.0
151.03862	0.7
152.07011	1.1
161.05960	4.2
162.06691	1.0
163.07541	45.8
164.07893	1.5
175.07561	2.5
177.05583	0.8
187.07552	0.9
187.10814	0.9
189.09135	0.7
189.12714	0.7
201.09106	2.7
219.10217	0.9
222.67764	0.5
237.07552	1.6
237.11235	1.7
250.09480	2.9
264.12106	0.9
272.67300	0.6
316.00977	0.6
336.15543	0.6
345.64340	0.6
399.12653	36.7
400.13150	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03947	1.7
55.01868	1.6
57.03435	5.8
61.02927	2.7
64.71980	0.4
69.03079	0.6
69.03433	8.1
70.02296	0.4
70.02621	1.1
70.03762	0.6
70.06593	0.8
70.17349	0.4
71.01336	0.7
71.04989	0.9
73.02917	3.7
73.70898	0.4
74.03260	0.5
74.53686	0.4
75.04477	1.2
81.03423	4.7
85.02906	24.0
86.03237	1.1
86.09693	0.4
87.04461	1.2
91.03948	0.8
91.74113	0.4
95.04961	0.8
97.02897	8.3
98.03210	0.5
99.04442	1.9
102.04681	1.7
103.04034	2.1
103.05470	48.9
104.05798	1.5
104.62832	0.4
105.07030	1.4
107.04987	0.7
108.46677	0.4
109.02890	3.0
115.03932	1.2
115.05465	0.5
115.64519	0.4
117.05505	0.8
127.03912	6.3
127.04768	0.6
129.05472	0.5
130.04173	2.1
131.04927	100.0
132.05257	4.2
133.04961	0.9
133.06502	1.0
145.04956	3.4
145.06519	0.4
146.05258	0.4
148.05194	13.9
149.05502	0.5
161.05966	4.3
162.06720	1.3
163.07541	47.8
164.07935	2.0
175.07594	1.2
189.09100	0.5
201.09067	2.1
219.10178	0.8
223.06262	0.4
237.11214	1.3
254.76335	0.4
272.12155	0.5
286.46170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37378	2.5
52.88324	2.4
57.07079	6.0
59.19269	2.5
67.05502	3.9
69.07066	7.4
69.88244	5.5
69.88612	5.2
71.08609	4.5
73.14041	2.6
81.07043	7.3
86.09699	29.6
91.05482	4.0
93.07046	5.8
94.87092	2.8
95.05025	3.0
95.08608	5.0
98.46868	3.1
99.04415	3.8
105.06998	3.0
107.08575	3.4
109.10140	6.1
116.17228	2.9
119.08630	3.5
121.10224	3.1
132.10181	14.7
133.10106	3.6
145.10239	3.3
168.26155	2.3
178.71542	3.3
197.05989	4.7
197.34210	2.8
211.07616	3.4
211.20520	3.7
224.08199	3.5
225.09111	4.3
226.06294	3.9
227.07104	3.7
229.08284	2.5
239.07094	3.9
241.04823	3.5
248.08298	5.8
249.09077	5.3
252.11429	4.1
253.08524	3.5
254.09340	4.8
255.06509	5.3
255.10327	3.9
256.07346	7.3
263.10760	3.6
264.11566	9.3
265.08704	6.5
267.06573	5.0
267.10199	4.2
268.10992	5.2
269.08167	9.1
272.06848	7.4
272.10223	2.9
277.08969	4.1
278.13257	3.7
279.10211	8.8
279.13699	6.4
280.10986	5.3
281.08075	4.9
283.06314	4.2
283.09561	6.3
284.06812	11.9
284.09964	3.5
285.04245	3.6
285.07513	9.8
287.09042	4.3
291.10165	9.8
292.10767	3.8
293.08228	3.9
293.11646	8.8
295.10196	3.6
295.13058	12.7
296.10388	4.0
297.07758	8.2
299.09158	30.3
300.06400	8.7
300.09644	3.4
306.12491	8.4
307.09744	10.3
307.13382	8.9
308.10306	5.1
309.11557	4.0
309.14825	6.0
310.15805	4.5
311.09225	6.9
312.09918	21.5
313.10495	6.6
314.07880	3.1
315.08505	22.1
316.09351	13.6
322.12036	10.6
323.12717	21.2
325.10794	6.2
326.11502	29.1
326.15082	4.3
327.08469	6.1
327.12247	6.7
328.09320	4.6
329.10306	8.2
330.10910	53.5
331.11533	9.7
337.10745	4.1
337.14337	33.4
338.11365	4.1
338.14990	15.4
339.12381	7.0
341.10034	3.1
341.17462	6.3
342.10895	5.5
343.11920	15.2
353.13916	32.2
354.14511	10.3
357.13321	22.9
368.16199	68.6
369.16965	57.9
371.48477	2.9
384.15750	7.5
399.18079	100.0
400.18292	13.1
400.38068	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
53.29220	2.6
55.01873	11.7
55.05495	10.6
57.03446	5.1
57.07066	3.0
59.05017	3.3
61.02942	3.4
61.81646	2.7
63.28481	3.2
67.05505	24.7
69.03436	33.4
69.07061	11.1
70.90991	5.9
71.01329	5.1
71.04651	3.6
71.04990	22.1
73.02892	4.7
79.05489	28.7
81.03435	18.0
81.06581	6.7
81.07058	100.0
83.04986	6.7
83.08611	4.9
85.02913	36.7
85.06535	7.8
86.09711	6.0
91.05479	16.8
93.07042	29.2
95.04959	11.3
95.08611	27.6
97.02910	16.6
97.06529	12.1
99.08112	26.2
103.05429	3.7
105.07032	48.4
107.04913	3.8
107.08604	26.8
109.02882	9.5
109.06511	15.6
109.10162	53.6
111.08085	9.8
117.07015	6.0
119.08592	22.4
121.06495	4.4
121.10152	23.9
123.08075	8.8
123.11741	15.1
125.09634	13.1
127.03900	15.0
127.07549	30.4
127.11205	10.1
129.07001	3.9
131.08578	16.2
133.10130	64.3
134.10434	5.3
135.08055	6.6
135.11682	10.0
137.05930	6.4
137.09605	9.1
137.78305	3.2
139.11073	3.4
143.08528	5.6
143.10684	5.9
145.04915	4.4
145.10123	25.2
147.08026	4.5
147.11708	20.9
149.09631	7.0
149.13280	6.2
151.11183	12.3
153.09117	3.2
155.10652	5.3
157.10052	5.6
159.11679	16.7
161.13263	5.4
163.11203	5.8
167.07080	5.9
169.12227	8.5
170.89818	3.2
173.09608	4.1
173.13283	4.4
175.11179	7.0
175.14792	3.8
177.16393	3.3
184.95018	2.8
191.17940	4.1
201.16371	14.5
213.32242	3.0
219.17418	22.2
231.17163	3.4
237.18501	9.5
289.23907	3.2
346.88452	3.1
398.03305	3.6
399.15506	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	399.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	21.3
57.07063	5.6
67.05505	24.2
69.02394	24.2
69.02802	3.5
69.07075	54.8
71.04989	16.5
71.08614	4.4
79.05482	14.8
81.07061	59.1
82.01730	2.9
83.08613	14.7
85.06557	10.5
87.04483	5.0
91.05492	21.8
92.05811	3.3
93.07055	35.1
95.05002	3.3
95.08613	100.0
96.08968	3.0
97.10157	6.5
99.04491	3.5
99.08102	2.7
101.06062	3.7
105.07037	38.5
107.08598	63.1
109.10161	51.4
111.11729	17.4
117.07021	5.3
119.08589	46.1
121.10153	53.4
123.08080	3.2
123.11691	29.5
125.09602	4.3
127.11210	21.1
131.08536	14.9
133.10150	38.7
135.08083	8.1
135.11713	41.2
137.13264	9.4
141.12758	21.2
143.08594	3.3
145.10117	23.7
147.11690	35.4
149.09648	3.0
149.13248	23.8
151.14870	4.5
153.09146	3.8
153.12827	3.5
157.10158	9.7
159.11693	25.2
161.13295	25.5
163.11238	4.1
163.14809	12.4
165.12758	5.5
171.11743	12.0
173.09628	2.8
173.13240	17.6
174.13637	3.0
175.14844	13.1
177.12753	7.5
177.16420	12.1
180.61317	2.8
181.12309	4.8
183.11723	4.8
185.13330	10.2
187.14888	9.4
189.16411	26.1
191.14372	13.2
191.17963	44.3
192.18362	3.9
195.13867	8.5
197.13300	3.5
199.14992	4.4
201.16370	15.7
203.14418	6.0
203.17989	20.6
205.19592	6.1
207.13791	12.4
209.15364	13.3
215.18042	5.8
217.16025	3.5
217.19534	26.7
219.17575	3.5
223.16974	4.6
225.16473	3.6
227.17964	4.0
229.19624	9.1
233.19202	3.1
235.16902	3.0
241.19618	5.7
242.57977	2.8
243.17242	3.1
251.63942	4.2
255.21143	3.6
257.22684	16.7
259.20499	4.3
269.22937	2.9
271.20718	9.9
271.23938	2.3
275.20187	3.1
289.21759	10.6
295.24368	8.9
313.25098	4.0
327.26917	3.9
339.30502	2.8
381.31561	26.4
399.16437	4.9
399.32645	94.2
400.33090	11.9
401.68893	3.1
402.94116	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	399.3258
Annotation	Calicoferol G
Peak:m/z	Relative Intensity
51.31272	1.1
53.03951	1.3
55.05515	8.6
57.07077	3.7
59.05013	1.3
67.05499	7.3
69.03428	1.6
69.07072	10.2
69.86851	1.9
69.87241	2.5
70.06600	3.0
71.05010	1.2
72.36008	1.0
79.05493	7.0
81.07061	19.8
83.05012	1.1
83.08623	5.6
85.06538	8.8
87.07215	1.0
88.07639	3.6
90.89630	1.0
91.05473	7.1
93.07047	14.8
95.08609	24.7
97.06549	1.4
97.10218	2.1
98.23268	1.3
102.09173	1.5
105.07034	14.8
107.05021	1.1
107.08596	23.4
107.09284	2.0
108.08902	1.0
109.06540	3.7
109.10152	15.9
111.08085	2.1
111.11744	1.3
117.07049	2.2
119.08589	17.5
121.06516	3.4
121.10144	17.4
123.08102	3.1
123.11699	13.7
125.09633	1.1
129.07097	1.5
131.08549	5.1
133.10141	14.7
135.08058	6.5
135.11705	18.5
135.12686	1.6
137.09657	1.5
137.13304	4.4
139.11215	1.9
143.08548	1.4
145.10114	8.7
147.08093	1.5
147.11690	13.2
149.09624	2.0
149.13246	9.3
151.11235	1.9
153.12872	1.0
155.08589	1.1
157.10088	2.0
159.11710	12.4
161.09589	1.7
161.13264	7.0
163.11247	1.8
163.14848	3.2
169.12265	16.6
171.11758	1.9
173.13283	5.5
175.11230	2.2
175.14868	4.9
177.12766	10.7
177.16425	3.0
183.11786	1.1
185.13275	2.0
187.14853	2.9
189.12772	2.6
189.16405	8.3
191.14383	4.1
191.17967	13.8
197.13326	1.3
199.14943	1.9
201.12796	2.7
201.16460	3.0
203.18044	4.4
205.15863	1.5
205.19568	2.3
213.16492	1.5
215.18011	1.8
217.15854	1.5
217.19545	4.3
225.16455	1.7
227.17999	1.6
229.16043	1.3
229.19580	2.3
231.21111	2.9
245.19098	1.9
259.20743	1.4
271.20569	1.3
273.22397	1.0
338.34354	4.5
363.30704	1.6
371.33392	2.0
381.27728	1.5
381.31656	18.6
381.43289	1.1
382.32291	1.4
383.35159	1.1
399.15265	2.1
399.32703	100.0
400.33014	9.1
400.37994	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00981	1.3
51.02430	1.2
53.03960	1.6
55.01879	7.1
57.03443	15.4
59.05019	1.6
61.02935	16.5
69.03436	24.3
70.35199	4.3
71.01369	3.8
71.04993	3.1
73.02925	75.8
77.58709	1.3
80.47044	1.5
81.03416	7.7
85.02910	100.0
86.03244	1.5
86.09709	2.3
87.04476	4.4
91.03977	4.5
92.54237	1.3
97.02900	52.5
99.04461	3.3
101.12261	1.4
102.98312	1.4
103.03985	1.5
109.02863	9.5
115.03942	24.7
125.09658	2.7
127.03938	28.5
133.04971	37.1
145.04973	50.2
145.06133	2.8
146.05235	1.3
150.07663	3.2
163.06042	25.5
177.05560	1.8
221.73389	1.5
221.90437	1.2
223.06021	4.3
241.07101	4.7
251.14957	2.4
259.08200	7.3
407.82477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01873	9.4
55.05514	2.6
57.03439	15.5
59.04994	1.4
61.02929	14.0
69.03432	32.0
69.07066	1.7
70.06586	5.0
70.20865	2.1
70.21223	1.9
71.01357	4.1
71.04986	2.3
72.08141	1.7
73.02920	71.8
79.05481	2.2
81.03423	7.9
81.07037	1.1
82.06593	1.4
83.04985	1.1
83.08611	1.4
84.08147	1.6
84.08934	1.2
84.21976	0.9
85.02908	100.0
86.03230	2.5
86.09705	7.0
87.00838	2.2
87.04461	3.3
89.03922	2.6
91.03959	5.4
91.05470	1.6
95.04971	1.3
96.04498	1.4
97.02895	49.4
98.03224	2.2
99.04449	4.0
100.07613	3.5
100.11273	5.6
101.07933	1.3
101.11583	1.4
103.03938	3.5
105.01880	2.3
105.07014	1.9
107.04916	1.4
107.36651	0.9
109.02870	7.8
110.07146	0.9
111.04448	4.9
112.04811	1.6
115.03927	21.8
115.05296	1.0
116.07084	1.1
117.03383	9.1
117.07039	1.5
121.06507	0.9
125.09611	5.0
126.09125	1.1
127.03919	29.4
128.04263	2.7
128.07083	1.9
131.08467	1.3
133.04970	32.2
136.07637	0.9
145.02881	20.2
145.04958	49.4
146.05324	2.6
149.05989	2.4
150.07654	2.4
159.07980	1.5
163.06033	23.7
164.06410	1.0
167.07057	4.2
173.06082	1.7
177.03966	2.1
177.05487	33.5
178.05807	1.8
182.15419	6.5
183.15747	5.5
193.04973	2.0
199.06055	1.2
210.14867	5.1
211.15276	8.4
217.06918	1.1
217.08748	1.0
223.06015	3.9
229.16316	1.2
232.05333	1.3
241.07050	5.1
247.07516	1.2
249.09235	1.0
251.14946	2.3
256.02814	1.3
256.17389	1.3
259.08142	6.1
269.07956	1.7
273.56354	1.1
277.09076	2.3
295.10196	1.9
312.09805	2.5
315.08609	1.6
326.11118	1.0
327.12274	1.4
330.10767	1.2
338.21671	5.0
339.12216	1.2
351.11911	1.2
355.24234	3.7
383.15094	3.7
383.23749	3.7
400.26166	2.5
401.13876	1.3
401.17810	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	400.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35907	4.3
52.68867	4.8
53.03947	11.3
55.01624	4.2
55.01870	23.7
55.05504	29.0
56.15467	4.6
62.01062	5.8
65.03944	7.7
67.05507	66.2
69.03419	28.5
69.07078	21.5
70.18775	17.4
71.05006	45.2
73.02914	5.7
79.05499	32.5
81.03400	7.4
81.07067	51.9
83.04976	8.4
83.08633	11.7
85.02921	32.9
85.06556	13.2
91.05479	46.5
92.86602	5.5
93.03420	33.9
93.07052	45.6
95.04984	15.2
95.08614	100.0
96.61071	4.7
97.02909	8.4
97.06543	11.4
105.07056	43.9
107.04958	9.5
107.08614	21.1
109.02901	8.2
109.06506	7.8
109.10168	41.9
109.95447	6.1
111.04469	18.5
111.08083	33.4
117.06994	11.0
119.08591	50.0
120.08118	9.2
121.06535	34.9
121.10136	14.5
123.04414	6.2
123.11733	11.6
125.09680	7.0
128.06203	9.5
131.08591	12.2
133.06494	9.2
133.10126	20.7
135.08061	7.8
135.11719	10.8
137.09618	45.5
137.13261	5.6
141.07033	9.5
141.21481	5.6
142.07817	4.8
143.08569	11.4
144.05652	4.6
145.10129	11.5
147.08101	6.7
147.11626	5.7
148.09651	5.7
149.09602	6.9
155.10631	29.2
155.67715	5.1
157.10117	7.2
159.11708	9.6
167.07104	7.5
171.11633	5.1
173.13281	6.9
175.14734	6.0
183.11639	5.3
185.13298	7.0
196.56360	4.6
263.25900	5.7
289.82004	4.8
291.26947	5.8
297.14148	5.7
328.45779	4.6
355.30252	5.5
382.29764	8.0
383.11053	10.0
383.29449	9.8
400.12094	12.5
400.26978	12.8
401.11911	10.6
401.30695	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	400.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35907	4.3
52.68867	4.8
53.03947	11.3
55.01624	4.2
55.01870	23.7
55.05504	29.0
56.15467	4.6
62.01062	5.8
65.03944	7.7
67.05507	66.2
69.03419	28.5
69.07078	21.5
70.18775	17.4
71.05006	45.2
73.02914	5.7
79.05499	32.5
81.03400	7.4
81.07067	51.9
83.04976	8.4
83.08633	11.7
85.02921	32.9
85.06556	13.2
91.05479	46.5
92.86602	5.5
93.03420	33.9
93.07052	45.6
95.04984	15.2
95.08614	100.0
96.61071	4.7
97.02909	8.4
97.06543	11.4
105.07056	43.9
107.04958	9.5
107.08614	21.1
109.02901	8.2
109.06506	7.8
109.10168	41.9
109.95447	6.1
111.04469	18.5
111.08083	33.4
117.06994	11.0
119.08591	50.0
120.08118	9.2
121.06535	34.9
121.10136	14.5
123.04414	6.2
123.11733	11.6
125.09680	7.0
128.06203	9.5
131.08591	12.2
133.06494	9.2
133.10126	20.7
135.08061	7.8
135.11719	10.8
137.09618	45.5
137.13261	5.6
141.07033	9.5
141.21481	5.6
142.07817	4.8
143.08569	11.4
144.05652	4.6
145.10129	11.5
147.08101	6.7
147.11626	5.7
148.09651	5.7
149.09602	6.9
155.10631	29.2
155.67715	5.1
157.10117	7.2
159.11708	9.6
167.07104	7.5
171.11633	5.1
173.13281	6.9
175.14734	6.0
183.11639	5.3
185.13298	7.0
196.56360	4.6
263.25900	5.7
289.82004	4.8
291.26947	5.8
297.14148	5.7
328.45779	4.6
355.30252	5.5
382.29764	8.0
383.11053	10.0
383.29449	9.8
400.12094	12.5
400.26978	12.8
401.11911	10.6
401.30695	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	400.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08785	0.9
54.12138	0.9
55.01865	1.3
55.05512	4.5
56.05036	2.3
57.07078	14.4
58.06605	4.7
62.24558	0.9
67.05508	4.0
69.07063	2.8
71.05006	2.8
71.30896	1.0
72.04521	1.1
79.05510	2.3
81.07059	4.3
83.04976	1.0
83.08630	2.2
84.04521	1.6
85.06558	1.4
91.05472	1.3
93.07066	1.8
94.06516	0.9
95.08613	4.0
97.10164	5.6
98.06062	15.7
98.09705	1.4
100.07635	7.1
105.07047	2.0
107.08595	3.8
109.10189	3.5
112.07629	2.9
121.10180	1.1
122.68513	1.0
125.09653	3.3
126.12852	1.1
127.11217	11.9
133.10144	2.0
135.11772	1.2
153.01866	4.0
154.12289	3.1
156.15749	1.0
167.07043	1.7
171.11819	1.1
181.04988	1.2
182.15401	23.0
182.16920	1.4
184.16969	67.4
185.17429	1.7
187.07538	1.3
198.66025	1.0
200.16467	42.6
201.16943	1.3
235.76079	1.1
257.04587	3.0
271.09711	1.8
286.04803	1.2
287.05460	2.3
311.05463	3.1
330.11087	1.3
339.08829	1.4
382.34534	2.0
383.11197	10.5
400.35419	100.0
401.12326	15.0
401.22079	1.2
401.35706	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	401.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	24.5
63.23693	0.7
65.81394	0.7
66.52537	0.7
70.06554	2.0
70.81190	1.3
71.95242	1.7
72.08139	1.0
84.04536	0.7
84.08131	0.7
84.95604	0.8
84.96046	10.7
85.02912	0.9
86.09686	1.8
97.02863	1.2
98.97587	84.8
99.97946	0.7
110.97575	38.4
112.99123	5.0
115.05433	0.7
116.98627	30.0
121.01653	0.7
124.99081	1.6
126.97020	1.1
128.98616	30.2
131.00182	4.9
134.99657	7.6
137.61371	0.7
140.98598	2.2
143.00179	7.3
144.98112	2.5
146.99655	12.9
149.01245	1.4
152.98514	1.1
158.99660	6.8
161.01251	7.8
162.99126	0.9
163.97813	2.4
165.00659	0.9
170.99658	7.9
174.99135	1.2
177.00693	7.7
179.02242	1.7
181.97427	1.2
181.98877	12.8
185.16660	0.7
189.00719	6.8
193.01701	0.8
194.99646	1.2
195.01749	1.2
197.01259	0.9
199.02740	0.9
199.99921	17.6
201.00636	6.4
207.01735	1.1
210.99118	1.2
211.02808	2.4
213.00682	1.9
215.02281	2.5
218.00951	3.6
219.01773	55.3
220.02051	1.3
227.02313	1.0
229.00252	5.9
237.02821	100.0
238.03177	2.2
239.02298	2.5
242.01158	1.1
242.03485	1.5
243.01904	0.9
251.02284	2.1
255.03925	5.0
257.03357	4.4
259.99945	4.2
260.04407	1.6
261.02701	1.3
269.03320	3.2
274.97580	2.4
278.00995	6.0
279.03931	0.9
281.03366	3.3
283.04956	0.8
287.04425	1.7
292.98511	1.8
293.03360	4.8
299.04303	3.6
323.04575	1.9
326.02899	5.0
341.05414	12.9
344.04227	2.9
359.06494	40.1
360.06900	2.6
377.07645	2.9
401.07541	35.7
401.28787	1.5
402.07693	3.3
419.08640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05515	1.3
56.96579	0.7
57.03436	0.7
65.03939	5.2
67.05504	3.3
68.99778	0.9
69.03424	3.5
69.07098	0.7
70.06595	6.0
71.04997	0.8
71.31013	0.9
72.08135	2.8
74.06065	0.5
79.05496	2.2
81.03411	1.7
81.07040	0.6
82.04195	1.7
83.04962	0.8
83.18254	0.5
84.08131	1.5
85.02901	5.5
86.09708	5.6
87.04449	0.5
89.03926	0.7
91.05479	1.6
93.03391	1.3
93.07056	0.5
95.00752	0.8
95.01329	7.5
95.04968	2.1
97.02885	2.4
97.06532	2.0
98.97583	2.1
103.05483	0.6
105.07028	2.1
107.04948	1.9
108.02154	1.0
109.02883	1.3
109.06526	0.8
110.03674	2.8
110.07152	0.8
111.00762	0.6
111.04413	1.5
112.05094	0.5
115.05486	1.1
116.07078	2.7
116.98634	0.7
117.03374	0.6
117.06997	0.6
118.04078	0.6
119.08588	0.7
121.06471	0.8
123.00789	27.6
123.04388	2.8
123.08104	0.6
125.02348	2.3
125.05994	1.9
125.09616	0.5
127.03925	0.9
127.08658	0.5
131.04930	1.6
131.08536	0.5
133.06479	1.9
134.99701	0.6
136.07626	0.9
137.02328	1.4
137.05942	0.8
138.03087	1.5
139.03876	1.4
140.04686	1.4
141.01837	18.9
141.05479	0.9
142.02594	2.3
145.02850	2.4
145.06499	1.0
147.04413	0.8
149.05994	0.8
151.03915	0.5
153.05467	1.4
155.07056	2.5
157.13368	0.9
159.06593	0.9
160.05223	0.7
161.05978	4.3
161.09550	0.6
165.05515	0.6
165.07008	0.6
166.02686	0.8
167.07008	4.6
169.01329	2.1
171.06572	3.0
173.05995	0.6
173.09215	1.2
175.07474	0.7
177.05460	5.3
181.04958	100.0
182.05344	3.2
187.03735	0.5
189.05487	2.1
191.06848	0.6
193.08476	1.4
198.03171	0.6
201.12384	0.7
203.03558	0.7
205.04903	0.6
206.05711	0.6
207.06441	0.9
209.08075	4.7
214.11996	0.6
216.04161	0.6
217.04898	0.8
217.08563	0.5
217.11723	0.6
219.06415	0.5
221.08009	1.6
221.15335	0.6
228.13364	0.7
231.06525	1.7
238.14330	0.7
239.09015	2.2
249.07649	2.0
251.10626	0.6
259.05966	0.9
271.13919	0.6
275.05408	0.5
277.07065	7.0
291.08597	1.2
295.08020	1.5
305.06543	20.9
306.06821	1.1
308.10632	0.5
323.07596	1.6
325.09076	1.3
327.10834	0.5
330.10938	0.9
341.09149	0.7
343.11597	0.7
351.12112	0.9
357.11484	1.5
365.79163	0.6
383.14813	1.9
401.10306	2.0
401.13983	4.1
401.18610	7.9
401.28748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
51.13051	1.1
53.03941	2.7
55.01868	2.1
58.77346	1.2
69.03439	2.1
70.06591	4.6
72.08163	6.3
78.04721	2.4
78.10139	1.2
79.05495	21.8
81.07083	2.1
84.08109	1.3
85.02894	2.9
86.09719	7.0
91.05466	7.9
94.04162	1.6
95.04967	4.1
103.05473	2.3
105.06985	1.5
106.04182	2.0
107.04961	34.1
109.06547	2.3
115.05465	5.8
116.06232	3.7
117.07003	3.7
122.03635	1.6
123.04460	6.9
124.05211	7.6
125.06013	2.6
125.09615	4.8
128.06216	4.4
129.07030	8.5
131.04909	1.4
131.08565	13.7
131.27080	1.2
132.05713	1.8
133.06509	2.2
137.06004	2.1
141.07022	7.4
144.05725	11.4
145.06474	5.8
147.04477	1.6
149.05978	2.1
152.04681	4.3
153.05487	3.0
156.05672	14.4
157.06471	5.4
158.07277	2.7
159.08034	21.7
161.05966	4.6
165.07007	2.0
167.07042	91.3
168.05769	2.5
168.07350	2.5
169.06447	3.2
169.07680	2.1
172.05228	1.5
173.06004	6.0
174.06705	1.7
175.07555	2.3
177.05429	2.7
179.07062	2.2
181.04980	2.1
181.06560	2.5
181.08553	2.0
184.05154	3.3
185.05914	1.4
186.06754	7.3
187.07532	11.8
189.05460	1.5
189.07019	3.3
189.09187	1.4
190.06180	1.7
190.07692	3.2
191.06976	2.7
191.08528	4.6
192.09254	2.0
193.06509	2.7
193.08525	1.8
194.07271	1.9
195.08038	2.1
200.08356	1.7
201.05534	1.6
201.09093	2.4
202.06216	4.5
202.07800	4.3
203.06882	2.2
203.08600	4.9
204.07814	3.1
205.06519	5.3
205.08614	12.8
205.10162	2.3
206.07317	2.0
206.09097	1.8
207.06482	5.0
207.08128	3.1
207.09987	2.1
208.05165	10.7
208.08818	2.8
209.05873	1.7
209.09659	2.5
210.06801	3.3
211.07500	4.6
215.08591	3.5
217.06564	1.6
217.08577	28.9
218.07146	6.5
219.08060	18.3
219.10179	5.2
220.08821	7.5
221.05998	7.3
221.09593	2.5
222.06573	2.4
225.05493	2.5
229.08621	16.6
230.07185	2.5
231.08051	9.7
231.10141	2.8
232.08771	4.4
233.06029	3.8
233.09552	8.8
234.06700	5.2
235.07578	6.7
235.11330	2.5
236.04727	3.7
236.08305	6.0
237.05228	1.6
237.09160	4.3
238.06198	3.9
239.06969	3.3
241.05075	1.5
241.08617	1.5
244.08887	1.5
245.09622	3.8
246.06795	3.3
246.10211	1.5
247.07524	19.5
247.09718	23.8
248.08231	17.5
249.05580	3.6
249.09045	7.9
250.06108	3.9
251.07036	2.2
251.10666	3.2
253.08356	1.6
254.05717	4.8
255.06635	1.8
256.07059	1.7
259.07553	6.1
260.08389	1.7
261.05438	2.7
261.09079	6.8
262.06110	3.7
262.09894	5.7
263.07028	5.0
263.10635	11.2
264.07834	13.5
264.10547	2.0
265.08582	9.9
266.05765	2.7
267.06470	7.9
268.03677	2.7
269.08096	14.2
271.09692	7.1
272.06635	2.4
275.07156	9.0
276.07843	13.2
277.05121	3.6
277.08591	9.2
278.05801	2.9
278.09167	2.8
279.06921	2.3
279.10159	15.4
280.10791	3.5
281.08188	4.4
282.08868	14.3
285.07492	1.7
289.08386	2.6
290.09387	5.2
291.06735	2.5
291.10089	21.1
292.07318	9.1
292.10587	3.0
293.08115	11.6
294.08856	2.3
295.06125	2.4
295.09531	3.0
296.10327	2.4
299.09091	4.7
300.06345	2.1
301.07153	2.9
304.07303	4.2
305.08115	4.4
305.11539	2.2
306.05145	1.7
307.06314	2.7
307.09613	18.6
308.10211	8.9
309.11218	3.3
310.08484	7.8
311.09204	1.5
311.12747	4.5
315.08621	36.5
316.09146	4.2
318.08841	2.4
319.09552	11.5
320.10226	2.9
321.07541	5.2
321.11029	3.0
322.08362	3.1
322.11935	2.9
323.09088	2.3
323.12677	19.6
324.09799	2.9
324.13336	1.7
325.10675	4.5
326.11606	1.8
327.08792	2.0
328.09457	4.1
330.10950	43.2
331.11569	12.2
335.09241	2.1
336.09943	7.4
337.10593	11.4
339.12173	7.8
341.10043	1.8
343.11768	19.4
350.11502	3.4
351.12259	29.1
352.12903	6.6
353.10190	10.3
353.14041	2.4
356.12549	5.1
368.12494	18.1
369.13394	2.1
371.15253	2.8
383.14883	100.0
384.15311	10.0
401.11511	1.6
401.16013	17.0
401.28705	3.6
402.15933	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01870	1.5
55.05500	3.3
56.75991	1.0
65.03934	2.0
66.55795	1.2
67.05495	3.4
69.03419	2.8
69.05813	7.1
69.06218	2.1
69.07065	1.3
70.06586	3.3
71.04995	2.1
72.08160	10.3
78.04684	2.3
79.05495	22.0
81.03443	1.2
81.07056	7.0
84.26565	1.0
86.09711	11.7
87.21377	1.2
91.05489	11.2
93.07022	5.5
94.04166	1.6
95.04971	5.3
95.08612	4.6
97.02866	1.7
98.23289	2.5
99.65984	1.1
103.05475	3.3
103.22842	1.1
105.04520	1.2
105.07026	8.9
107.04957	39.1
107.08602	2.9
109.02922	1.3
109.06537	1.4
109.10162	1.3
111.04406	1.9
115.05417	5.5
115.89590	1.1
116.06247	3.6
116.07044	1.4
117.07014	4.9
119.04994	1.7
119.08575	7.4
121.06504	4.1
121.10108	1.6
122.03709	1.4
123.04405	5.8
123.08172	1.2
124.05231	7.3
125.05974	2.7
128.06236	7.3
129.07011	10.6
130.07802	1.4
131.04945	1.5
131.08569	18.5
132.05733	1.2
133.06479	2.6
133.10147	3.0
135.08072	1.3
137.05965	2.5
141.06949	6.5
142.07735	3.8
143.08580	7.5
144.05722	10.3
145.06508	7.7
145.10143	11.2
146.03671	1.5
147.08044	2.5
147.11691	2.4
149.05984	2.4
152.04688	4.0
153.05501	2.1
153.07007	3.2
154.07733	2.6
155.06064	1.9
155.08530	4.7
156.05710	23.4
156.09334	2.4
157.06390	4.8
157.10106	7.8
158.07256	3.1
159.08060	16.1
159.11668	6.3
160.05301	1.6
161.06017	4.5
163.03926	5.7
165.06993	1.9
167.07045	100.0
168.07437	3.2
168.09290	2.3
169.06395	2.4
169.07680	2.9
169.10141	5.8
170.07291	1.9
170.10921	2.6
171.11574	3.9
172.05145	1.8
173.06003	4.2
173.13275	4.2
175.07635	2.1
177.05479	3.6
179.07004	3.1
179.08528	2.5
181.04948	9.0
181.06461	2.5
181.08604	4.0
181.10074	2.2
182.07285	2.7
182.10910	1.6
183.08086	2.0
183.11681	7.9
184.05194	6.3
185.05890	1.7
185.13240	15.7
185.16530	1.7
186.06808	4.1
187.07524	11.5
187.14778	7.2
189.05434	1.7
189.07002	1.6
190.06226	3.1
190.07767	2.1
191.07004	3.0
191.08496	2.7
193.06586	1.6
193.08600	3.3
193.10191	1.5
195.06563	4.4
195.11716	3.3
197.13264	4.2
199.14862	5.2
201.12737	2.3
202.06247	10.8
202.07916	2.7
203.06831	1.7
203.08612	3.4
203.14354	2.3
204.07924	3.2
205.06470	3.7
205.08612	17.4
205.10442	1.7
206.07227	1.6
207.06488	9.1
207.08136	2.0
207.09990	1.6
207.11769	1.6
208.05177	15.3
208.08789	2.1
209.06017	2.6
209.07837	1.4
209.13231	2.9
210.06732	3.3
211.07776	1.8
211.14819	5.1
213.16179	2.9
214.06259	2.5
215.06895	3.3
217.06482	2.7
217.08595	55.9
218.07268	4.5
218.08960	2.5
219.08058	10.1
219.10194	6.6
220.08781	4.9
221.06041	5.2
221.13283	1.8
222.06575	2.3
223.07541	1.7
223.14777	3.1
225.16467	1.6
229.08511	4.2
229.15753	1.6
230.07280	1.8
231.08067	8.5
231.10115	2.5
231.17149	1.6
232.08833	1.8
233.05933	2.8
233.09644	5.4
234.06750	2.7
235.07492	4.7
236.04744	4.0
236.08315	3.8
237.09059	1.7
238.06259	2.3
239.07016	3.7
240.04242	2.1
241.04982	1.6
243.08049	1.5
245.09579	2.9
245.13274	1.5
246.06667	2.9
247.07501	11.7
247.09700	22.9
248.08221	13.3
249.05380	2.9
249.09106	4.9
250.06195	1.9
251.10617	2.5
252.07733	1.6
254.05745	5.4
255.06479	3.1
256.07053	1.4
259.07562	3.4
260.08469	1.6
261.05463	1.4
261.09042	5.5
261.16388	1.6
262.06284	2.1
262.09808	3.4
263.07104	2.9
263.10669	8.4
264.07858	8.4
265.08551	6.2
266.05838	1.8
267.06479	7.1
268.03696	1.7
269.08124	13.6
270.08368	1.7
271.09659	11.6
272.06879	3.1
275.07092	5.1
276.07794	8.4
277.08551	5.9
278.05688	3.1
279.07129	1.2
279.10156	7.4
280.07355	1.8
280.10712	2.5
281.07996	2.8
282.05624	2.5
282.08853	9.6
283.05957	1.5
284.06735	1.6
289.08487	1.5
290.09351	4.4
291.10141	14.8
292.07300	3.4
292.10614	2.4
293.08167	9.7
294.08682	1.4
295.09607	2.5
296.10461	1.9
297.07410	1.5
299.06149	1.6
299.09097	7.8
300.06329	1.8
301.06912	2.9
305.08096	2.3
307.09656	10.5
308.10394	7.7
309.07675	1.5
309.11230	2.9
310.08463	6.2
311.12701	2.9
315.08630	38.6
316.09320	2.7
318.08817	1.9
319.09689	8.0
320.10287	1.9
321.07562	4.0
321.11331	3.5
322.08270	2.5
323.09167	2.5
323.12732	15.4
325.10916	1.8
327.21228	1.8
328.09372	2.3
330.10965	42.1
331.11691	17.8
336.09976	5.5
337.10696	6.8
339.12247	6.7
341.10229	1.6
343.11841	15.1
351.08282	2.0
351.12317	24.5
352.12823	7.1
353.10034	5.5
353.22046	1.4
356.12640	3.1
363.69394	1.2
368.12646	6.9
369.13077	2.0
370.14032	1.5
371.14859	4.6
373.16324	1.4
383.14908	45.3
383.27377	4.3
384.15280	3.4
401.15817	15.7
401.21518	18.6
401.28366	32.7
402.16306	1.7
402.28763	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65031	1.1
53.03951	1.9
56.05027	2.0
60.05410	1.1
60.05654	11.8
69.03437	1.6
69.07057	4.6
69.30424	2.9
69.30849	4.1
70.03691	1.0
70.06593	94.9
71.04994	7.6
71.06911	1.8
72.01177	1.1
72.08145	4.8
76.05466	1.3
78.04716	1.6
79.05497	11.8
81.03434	1.2
81.07068	1.4
84.04469	2.7
84.08141	3.4
85.02885	3.3
85.07671	2.0
86.09708	55.0
88.07639	3.1
91.05484	5.7
95.04969	2.6
95.06079	1.9
97.02903	3.2
97.07629	1.3
98.06078	3.0
103.05434	1.8
105.07031	1.8
107.04956	32.4
109.06566	1.2
110.06073	1.2
110.07175	2.9
111.04477	1.1
112.08736	24.7
113.07140	1.5
115.05453	3.0
115.08675	6.4
116.07086	3.8
117.03374	2.0
117.07030	2.2
120.66944	1.0
121.06532	1.6
123.04455	2.9
123.08076	1.1
124.05224	5.4
124.05991	1.0
125.02370	2.1
125.05971	1.9
128.06226	2.0
129.07024	5.1
129.10225	2.4
130.09792	1.4
131.04909	1.5
131.08582	4.2
133.02798	1.8
133.06369	1.2
135.04362	1.4
137.05988	1.8
138.12799	3.1
140.08183	4.7
141.06989	3.7
144.05676	5.3
144.06726	1.2
145.02812	2.9
145.06500	5.2
147.04329	1.3
149.05983	2.2
151.03932	1.5
152.04712	2.2
153.01830	1.2
153.05405	1.7
156.05730	8.7
156.11284	3.2
157.06467	2.0
157.10857	5.7
158.09238	4.1
159.08060	9.3
161.04657	1.3
161.06010	4.2
161.09276	1.4
163.03874	1.8
163.07558	1.1
165.06955	1.4
167.07043	62.5
168.07367	2.5
173.05971	4.2
175.07513	2.2
175.11906	13.9
177.05476	7.1
179.03397	3.5
179.07118	3.0
181.04924	5.7
181.08513	1.5
183.06645	1.3
183.14923	6.4
184.05191	2.8
185.05917	1.3
186.06714	1.7
187.07542	6.6
189.05490	1.6
189.07054	1.4
190.06171	2.2
190.07751	2.1
191.07047	1.2
193.04848	1.3
193.08636	1.9
195.06558	1.7
201.09042	1.9
202.06244	4.6
202.07898	2.4
202.11105	1.1
203.08620	2.1
204.07637	1.4
205.06656	2.3
205.08601	8.9
205.10277	1.5
206.02153	3.1
207.06525	4.4
207.08192	1.7
207.09940	1.2
208.05174	8.0
208.08766	1.6
208.14470	1.6
209.05841	1.7
210.06764	1.6
210.16023	2.7
211.07552	1.7
211.14394	2.4
215.08627	2.0
217.08594	21.9
217.10515	1.9
218.07266	4.2
219.08067	8.7
219.10164	3.2
220.08810	4.9
221.05971	5.2
222.06590	1.4
223.07617	1.4
225.17084	13.9
227.07053	1.5
229.08690	5.9
229.15468	4.4
230.07190	1.5
231.08073	7.0
231.10063	1.6
232.08804	2.7
233.05951	1.7
233.09613	3.9
234.06720	2.8
234.10139	2.2
235.07538	3.3
236.04745	2.3
236.08331	4.8
237.09019	2.4
238.06241	2.4
239.05321	7.7
242.19736	1.4
245.09683	2.0
247.07527	10.4
247.09718	11.4
248.08208	9.3
249.05412	2.7
249.09070	3.7
250.06244	2.5
251.07196	1.9
251.10670	3.1
253.08734	1.2
253.16629	5.5
254.05775	4.0
255.06512	2.2
258.06833	1.3
259.07556	3.9
260.08371	1.8
261.05688	1.9
261.09061	3.0
262.06400	2.0
262.09769	1.8
263.06970	3.3
263.10660	7.9
264.07907	6.7
265.08517	5.2
266.05869	1.4
267.06528	4.7
269.08072	9.9
270.19327	5.3
271.09634	3.9
271.17661	9.0
275.07092	5.3
276.07837	5.3
277.05161	1.3
277.08536	4.8
278.05695	1.3
279.10184	6.8
280.10974	1.9
281.08096	2.6
282.05460	2.2
282.08887	8.1
285.07394	1.6
288.20297	25.5
288.23404	1.8
289.08383	1.9
290.09402	3.6
291.10165	10.9
292.07278	4.2
292.10727	2.0
293.07990	9.7
295.09497	1.8
296.10529	2.1
299.09140	3.2
301.06897	1.4
305.08087	4.4
305.11478	1.8
307.06284	1.7
307.09512	8.0
308.10376	5.0
310.08328	4.6
315.08655	29.7
316.09152	3.0
319.09512	8.1
320.10153	2.4
321.07553	3.6
322.08276	1.4
322.11908	2.1
323.12704	11.8
324.13211	1.3
325.10602	2.1
328.09329	2.5
330.10959	28.5
331.11636	8.1
336.09976	3.2
337.10583	5.8
338.11313	2.0
339.12219	7.9
340.12903	1.4
343.11765	12.1
351.12256	18.0
352.12857	3.5
353.10159	4.5
356.12262	2.2
368.12527	7.5
369.13052	2.1
371.14917	4.3
383.14911	52.1
384.15228	5.3
384.26038	5.7
401.05499	1.5
401.16653	9.1
401.28717	100.0
402.28931	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92776	1.1
53.03940	3.5
53.72123	1.0
54.21589	1.2
55.01867	3.6
64.81818	1.2
65.03954	1.7
67.05514	1.8
69.03413	3.4
70.48729	2.7
70.49055	1.7
71.04999	3.0
78.04695	2.5
79.05494	20.7
81.03412	3.4
81.07050	4.3
85.02905	2.2
91.05480	10.1
93.07057	5.9
95.04985	4.9
95.08630	2.1
97.06557	1.5
102.99982	1.3
103.05481	1.8
105.07040	2.7
107.04957	42.0
107.08595	4.9
108.39852	1.2
109.02911	1.6
109.06544	1.7
109.10181	1.9
115.05466	5.6
116.06243	2.4
117.07022	4.4
119.04906	1.4
119.08577	2.2
121.02821	1.2
121.06512	3.0
122.03669	2.0
123.04446	6.1
123.08073	2.0
124.05228	9.2
125.05976	3.9
127.03920	2.6
127.11198	1.3
128.06256	4.2
129.07054	7.4
131.04935	1.7
131.08577	11.7
132.05811	2.1
133.06540	1.7
133.10092	1.7
135.04488	2.3
135.11676	9.8
135.64891	1.4
137.05974	2.5
141.07007	5.3
144.05699	10.3
145.06474	5.5
149.05989	2.2
151.03886	1.5
151.07448	1.6
152.04723	3.8
153.05478	3.9
156.05708	26.1
157.06529	3.7
157.73038	1.3
158.07268	2.2
159.04434	1.9
159.08061	19.4
161.05991	4.5
163.03943	3.7
165.05489	1.4
165.06985	2.0
167.07045	100.0
167.33896	1.3
168.05864	1.8
168.07404	4.9
169.06366	2.0
169.07614	3.1
170.07266	2.0
172.05170	1.3
173.06013	3.9
174.03177	1.4
174.06767	2.1
175.07573	2.8
177.05513	2.6
178.07687	1.4
179.07040	4.1
181.04977	5.2
181.06487	1.6
181.08571	5.1
182.07327	1.4
183.06552	1.7
184.05194	8.6
185.05913	1.7
186.06784	3.4
187.07535	13.9
190.06256	5.3
190.07800	2.1
191.07025	3.1
191.08583	3.1
193.08626	2.5
193.10210	1.9
195.06563	4.4
201.09131	2.3
202.06218	14.7
202.07794	2.7
203.06941	2.2
203.08626	2.7
204.07794	2.8
205.06609	2.2
205.08537	20.0
205.10185	2.1
206.08971	1.3
207.06477	11.9
207.08168	2.4
207.10095	2.0
208.05237	9.5
208.08780	2.2
209.06099	2.8
209.08113	3.6
210.06786	5.7
211.07596	2.6
214.06151	1.7
215.08733	2.6
217.08604	65.8
218.07289	4.3
218.08968	3.8
219.08055	12.5
219.10211	9.0
220.08812	6.8
221.06001	4.7
221.09589	3.8
222.06651	2.1
227.07007	1.8
229.08606	5.7
230.07162	1.5
231.08072	9.2
231.10088	2.7
232.08939	3.0
233.06090	2.9
233.09546	7.0
234.06755	2.3
235.07510	3.7
235.11285	2.6
236.04662	2.7
236.08287	4.3
237.09045	2.5
238.06299	4.1
239.06950	2.9
240.04172	1.7
241.04984	1.8
241.08640	2.9
245.09509	2.6
246.06786	2.9
247.07518	14.1
247.09740	21.3
248.08246	15.9
249.05525	2.6
249.09081	6.6
250.06435	2.4
250.09677	2.1
251.07149	1.8
251.10747	2.8
254.05815	4.9
255.06493	3.8
256.07321	4.5
259.07501	4.2
260.08383	3.0
261.05664	1.7
261.09137	5.6
262.06613	1.4
262.09897	5.4
263.07034	4.6
263.10678	12.9
264.07971	7.1
264.10571	1.7
265.08624	7.2
266.05884	1.8
267.06540	5.0
269.08139	9.1
271.09637	17.0
272.06784	2.6
273.09293	1.8
275.07074	7.8
276.07843	9.3
277.08582	4.7
278.05792	1.9
278.08972	1.5
279.10129	8.5
280.07547	1.5
280.10770	2.5
281.08047	2.8
282.08832	9.2
284.06824	2.2
285.07614	3.1
289.08734	1.6
290.09344	5.6
291.06848	2.7
291.10101	18.5
292.07278	3.5
292.10721	3.3
293.08136	9.6
293.11029	2.0
294.08691	3.2
295.09500	1.8
296.10492	1.6
299.09088	8.4
301.06879	2.9
304.07306	3.1
305.08051	5.2
305.11505	1.5
307.09686	11.1
308.10364	7.6
309.11130	2.0
310.08301	5.1
311.12769	2.9
313.10617	1.3
315.08664	30.8
316.09290	4.6
319.09622	11.3
320.10394	1.9
321.07788	7.0
321.11136	2.2
322.08212	4.1
322.11923	2.7
323.09061	3.4
323.12634	16.6
324.09760	1.9
325.10715	3.1
328.09357	4.1
330.10962	35.4
331.11728	20.1
336.10001	7.2
337.10794	6.1
339.12366	6.3
341.09900	1.8
343.11819	9.9
351.12247	32.1
352.12912	4.8
353.10077	7.3
356.12524	5.3
368.12582	9.4
369.13358	3.0
371.14786	4.0
383.09845	2.4
383.14871	50.2
384.15213	2.5
401.16037	20.7
401.21216	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.9
55.01873	3.0
55.05516	4.3
57.07074	1.8
64.93220	1.6
67.05502	5.3
69.03426	4.1
70.06589	12.8
71.04993	2.2
71.31811	1.8
72.08161	3.9
79.05490	23.8
81.03362	2.9
81.07049	6.2
84.08150	3.5
85.02921	3.3
86.09708	11.9
91.05470	13.5
91.65569	1.9
93.07044	6.7
95.04940	2.3
95.08605	4.3
96.05255	2.1
97.02892	3.1
100.11269	3.9
103.05473	3.3
105.07045	6.5
107.04955	38.1
107.08591	3.2
109.06496	2.8
109.10157	2.2
111.04457	2.5
115.05479	7.0
116.06258	4.0
116.07108	1.8
117.07037	3.9
119.08569	5.4
121.06522	3.1
121.10126	2.4
123.04397	4.8
123.08063	2.7
124.05199	9.9
125.06025	2.0
127.03902	2.6
128.06248	6.4
129.06992	12.6
130.07780	2.0
131.04964	4.7
131.08553	19.4
133.10158	2.9
137.06029	2.4
141.06985	9.3
143.08566	7.6
144.05746	6.2
145.06528	6.1
145.10156	7.9
147.04402	3.4
147.11729	3.0
151.03944	3.0
152.04703	3.5
153.05472	2.7
153.07051	2.0
156.05716	12.7
156.09375	2.7
157.06529	6.8
157.10127	3.9
158.07280	3.5
159.08057	20.5
159.11656	3.2
161.06015	5.7
161.13287	2.5
163.03885	3.0
165.05414	2.0
165.06935	3.2
167.07047	100.0
168.07404	2.6
169.06464	3.2
169.10184	4.1
170.07300	2.0
172.05162	3.0
173.05994	5.6
177.05525	3.9
179.07047	4.0
181.04932	13.3
181.06378	2.2
181.08534	3.3
183.11726	5.8
183.15796	3.1
184.05200	2.9
185.13255	13.4
186.06772	5.6
187.07484	11.7
187.14853	8.3
189.05455	2.6
190.06203	3.0
191.06985	3.1
191.08533	4.6
192.07584	2.0
193.06493	2.2
193.08528	2.3
195.06509	3.7
197.13242	3.6
200.08368	2.6
201.09103	4.8
201.12772	2.7
202.06175	3.0
202.07866	4.0
203.08611	4.6
204.07854	3.7
205.06772	4.4
205.08618	8.8
205.10318	3.2
206.07170	2.5
207.06570	6.6
208.05182	19.3
208.08832	3.0
210.06702	3.7
210.14925	4.1
211.07597	3.6
211.15077	6.8
214.06049	2.5
215.08607	5.6
217.08553	26.3
217.10219	2.5
218.07243	4.6
219.08115	16.9
219.10071	3.3
220.08806	6.2
221.06062	6.8
221.09654	3.5
225.09419	2.2
226.06213	2.2
229.08594	8.1
229.16129	2.9
230.07173	3.9
231.08052	10.1
231.10086	2.5
232.08839	5.2
233.05916	3.6
233.09587	3.9
234.06805	3.5
235.07553	4.9
236.04558	5.0
236.08382	6.7
237.09058	2.8
239.07111	4.6
239.12514	13.0
245.09738	5.8
247.07677	16.1
247.09683	22.9
248.08270	12.8
249.05531	5.2
249.09045	7.8
250.06277	4.8
251.11011	2.4
253.04938	2.1
254.05746	6.4
256.07254	2.8
258.06625	2.4
259.07492	5.6
260.08423	4.9
261.05429	2.4
261.09061	7.7
262.06305	3.2
262.09991	5.4
263.07245	9.3
263.10568	17.1
264.07907	10.0
265.08502	9.8
266.05704	3.5
267.06415	9.8
269.08093	12.7
271.09647	5.3
272.06726	3.1
275.06946	10.1
276.07834	14.0
277.08527	8.8
278.05933	3.3
279.07385	2.5
279.10065	12.8
280.07147	2.4
280.10892	4.5
282.05576	3.4
282.08868	13.5
283.09241	2.4
290.09250	4.7
291.10092	21.5
292.07278	5.5
292.10733	4.0
293.08087	14.3
295.06262	2.9
295.09662	5.1
296.10141	2.4
299.09222	8.0
300.06259	2.4
301.07004	3.3
305.08224	4.2
305.11600	2.8
306.08795	3.1
307.09686	17.1
308.10315	8.1
309.07928	2.6
309.11105	3.9
310.08359	10.0
315.08600	53.0
316.08951	2.6
319.09656	10.5
320.10464	2.9
321.07587	7.3
322.08289	2.6
322.12070	3.0
323.09341	2.9
323.12805	17.7
324.09903	2.6
325.10669	3.3
328.09378	5.6
330.11005	48.2
331.11713	9.6
336.09979	5.5
337.10760	13.7
339.12152	11.0
343.11740	21.5
351.12241	29.9
352.12692	4.3
353.10065	11.2
356.12488	3.1
368.12631	14.7
369.13147	4.8
371.14880	5.0
383.14917	87.6
383.27341	2.8
384.15369	10.3
401.16949	31.8
401.21573	32.3
401.28452	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
54.89914	1.8
55.01862	4.1
55.05509	2.8
58.33727	2.1
60.23225	1.8
65.03930	2.1
69.03429	3.7
69.23750	10.9
70.06583	7.4
73.17673	1.7
78.04740	2.2
79.05480	14.3
81.03416	3.6
81.07044	6.3
86.09724	2.7
91.05475	9.0
93.07050	2.9
95.04969	4.8
95.08591	4.4
97.02878	2.5
98.23467	2.1
103.05482	4.7
105.07063	4.7
107.04957	36.0
107.08553	2.7
109.02887	2.4
115.05474	6.2
116.06213	3.9
117.07033	3.5
119.03422	4.0
121.06490	5.2
121.10133	3.7
122.03671	2.1
123.04437	6.2
124.05198	8.7
125.05981	4.5
127.03945	2.3
128.06213	4.3
129.06985	7.7
131.08565	8.4
137.05952	4.2
141.06989	6.4
144.05685	5.9
145.06474	5.9
145.10085	3.3
147.11659	2.6
149.05981	4.1
151.03918	2.0
152.04730	6.0
152.06207	2.2
153.05536	2.6
156.05705	15.1
157.06499	6.0
159.08044	17.8
159.58803	1.8
161.05974	5.0
163.03851	4.9
167.07043	100.0
168.07373	3.7
173.06013	4.8
173.13315	2.3
174.06758	2.5
175.07538	3.3
177.05457	3.6
179.07094	2.3
181.04970	9.0
181.08548	2.7
184.05241	5.3
187.07544	11.8
191.03531	2.7
191.06998	5.0
191.08560	3.8
195.06537	3.7
195.08171	3.1
197.06056	1.9
201.09030	2.2
202.06233	6.0
203.08696	2.7
205.06810	3.8
205.08614	13.5
205.10220	2.5
207.06516	6.4
207.08182	3.1
207.09982	2.1
208.05232	15.4
209.05811	2.0
209.08054	3.4
210.06651	2.8
211.07513	3.3
213.40047	2.2
217.08594	43.8
218.07315	5.6
219.08035	11.0
219.10190	5.0
220.08723	5.6
221.05936	5.2
221.07857	2.8
229.08636	6.5
230.07312	4.0
231.08057	6.9
231.10104	4.4
233.06052	2.5
233.09688	4.8
235.07584	2.8
236.04726	4.7
236.08324	4.8
237.09152	2.7
239.06914	2.9
240.04250	2.6
241.08424	2.4
245.09657	4.0
246.06793	4.3
247.07603	13.4
247.09689	16.0
248.08310	14.1
249.05392	2.2
249.09096	5.5
251.07150	2.2
251.10713	3.7
254.05794	6.8
259.07620	3.7
260.08206	3.7
261.09103	4.9
262.10016	3.4
263.07080	3.0
263.10684	10.2
264.07797	8.3
265.08405	9.7
267.06470	9.1
269.08084	14.6
270.08743	2.5
271.09634	8.4
275.06976	7.6
276.07803	6.9
277.08652	5.8
279.06665	3.1
279.10144	10.0
280.10803	3.8
281.07977	3.9
282.05847	2.7
282.08719	12.3
285.07581	2.8
286.08255	2.7
289.08560	2.2
290.09381	3.8
291.07056	3.1
291.10110	14.4
292.07397	2.3
293.08069	9.5
297.07629	3.0
299.09128	5.7
301.07144	2.6
304.07040	2.2
305.08163	5.2
307.09644	12.0
308.10303	8.7
310.08353	7.5
311.12650	3.8
315.08600	54.0
318.08835	2.8
319.09656	7.2
321.07632	4.0
321.11243	3.3
322.08267	4.8
323.09042	4.0
323.12756	17.5
324.13123	2.5
325.10776	2.6
328.09430	7.4
330.11005	58.1
331.11685	17.0
336.09750	5.9
337.10764	10.0
339.12277	7.7
341.09778	2.6
343.11819	17.5
351.12238	28.0
352.12949	7.0
353.10123	5.1
368.12421	7.2
369.13324	7.0
371.15054	4.7
383.10556	3.8
383.14935	54.8
384.15063	3.6
401.16379	23.2
401.28534	18.6
402.16397	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	401.1959
Annotation	Lintetralin
Peak:m/z	Relative Intensity
50.31822	1.1
63.69375	1.2
66.68694	1.3
67.05536	1.4
67.44677	1.4
69.07056	3.7
69.16717	8.1
77.36082	1.3
78.74869	1.3
79.05499	1.5
81.07070	3.7
84.93192	1.3
85.02898	1.5
85.06565	1.2
87.94776	1.2
91.05494	2.1
93.07040	1.5
95.08611	2.8
98.23351	2.4
99.08038	1.4
105.05444	1.3
105.07037	2.6
107.08612	3.0
109.10142	2.2
119.08538	2.2
121.10146	3.9
131.08589	1.9
133.10138	2.3
139.07552	2.3
145.10179	1.9
147.11714	1.6
159.08084	3.8
167.07007	2.2
169.06393	2.4
169.10060	1.3
173.09608	1.9
173.13110	1.2
181.08565	1.8
183.07967	1.8
185.13264	1.6
187.07553	1.6
191.10689	2.6
197.06001	4.4
198.06715	2.3
199.07611	1.9
202.09891	1.5
209.06169	1.3
210.06807	2.4
211.07545	6.0
213.09113	2.8
214.06232	3.2
219.08182	2.3
219.10117	2.6
221.09599	2.6
224.08292	1.7
225.05443	2.1
225.09100	4.2
226.06331	3.2
226.09892	2.1
227.06981	6.3
228.07787	4.1
229.08601	3.9
233.09717	1.7
234.10309	1.9
235.07457	2.2
235.11185	2.6
236.08249	2.4
237.09091	4.7
238.06284	3.4
239.07010	4.6
239.10876	2.1
240.07716	6.9
240.11612	1.5
241.04967	4.0
241.08588	9.0
242.05716	4.4
242.09367	4.9
243.06540	10.3
244.07024	1.6
245.09702	1.6
247.07524	1.8
248.08267	3.6
249.09012	6.6
250.09697	2.0
251.06975	3.5
251.10771	6.4
252.07803	3.7
252.11374	4.0
253.08601	8.2
253.12041	2.1
254.05798	2.6
254.09302	5.5
255.06447	8.6
255.10251	1.8
256.07315	4.8
257.04633	1.7
257.08124	8.0
258.08878	6.4
259.06049	4.1
261.09064	2.0
262.09909	2.5
263.06964	2.4
263.10745	8.1
264.07797	2.5
264.11423	6.3
265.08569	7.9
265.12186	3.5
266.09491	3.1
266.12772	1.8
267.06552	14.8
267.10092	5.9
267.13608	2.8
268.07254	5.0
268.10892	3.5
269.08133	7.8
269.11801	1.6
270.05917	2.2
270.08722	10.2
271.06061	3.9
271.09637	9.4
272.06760	5.4
272.09769	1.5
273.07507	4.9
274.08353	3.1
276.11404	2.5
277.08612	5.2
277.12152	3.9
278.09399	1.9
278.12997	4.0
279.10184	14.7
279.13727	5.6
280.08072	2.0
280.10931	9.9
281.08099	17.6
281.11676	3.9
282.08798	16.5
283.06046	4.9
283.09613	5.5
283.13049	3.0
284.06711	4.5
284.10464	7.1
285.07898	7.2
285.11243	6.2
286.08353	9.9
287.05554	4.2
287.09119	8.7
289.10977	1.7
291.10178	10.3
291.13132	1.9
292.10727	6.7
293.08063	3.7
293.11713	8.6
294.08978	2.3
294.12460	7.0
295.09680	8.6
295.13284	23.8
296.10443	14.6
296.13531	1.9
297.07584	5.5
297.11179	5.8
298.08353	9.7
299.09189	17.9
299.12714	3.3
300.09857	3.4
301.07169	3.6
301.10712	14.0
302.07864	10.8
302.11292	2.8
303.08667	9.6
305.11734	4.5
306.12408	13.0
307.09592	12.9
307.13251	9.9
308.10355	8.8
308.14072	3.9
309.11197	12.5
309.14893	13.5
310.11850	4.1
310.15558	6.9
311.09091	4.4
311.12698	8.1
311.16116	2.3
312.09952	12.5
312.13416	2.2
313.10690	24.5
314.11407	10.1
315.08597	7.3
315.12131	3.1
316.09280	3.2
317.10217	24.4
318.10941	31.8
319.11276	3.2
321.11264	4.2
322.11960	10.5
323.12784	53.7
323.16095	2.4
324.09879	2.5
324.13364	12.5
325.10666	5.8
326.11505	2.5
326.15088	4.2
327.08676	2.4
327.12393	26.1
327.16040	3.9
328.12952	14.4
329.10132	4.9
329.13663	2.6
330.10919	6.9
331.11743	12.3
332.12515	33.7
333.13297	15.5
337.14346	59.9
338.11160	2.5
338.15076	31.7
339.12247	17.7
339.15857	11.2
340.12854	5.4
341.13791	2.0
341.17459	18.7
342.17831	2.6
343.11746	3.5
344.12408	2.8
345.13278	24.2
346.13953	4.6
351.15848	2.2
352.16699	3.3
353.13751	1.8
354.14670	11.1
355.15405	35.2
356.15836	3.7
357.13293	2.5
358.14020	3.3
359.14871	23.8
360.15082	1.8
369.16977	65.7
370.17712	89.2
371.14038	6.9
371.18997	7.6
372.15549	3.8
383.22400	1.6
383.29422	2.3
386.17285	16.1
387.17722	1.7
401.19580	100.0
402.19894	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1962
Annotation	Lintetralin
Peak:m/z	Relative Intensity
50.87355	1.9
55.05507	3.7
55.77194	1.7
57.06662	1.6
59.04788	1.6
64.77179	2.0
67.05495	4.3
69.03423	2.1
69.07063	6.1
69.22726	12.7
75.04461	2.3
76.47468	1.7
79.05467	2.6
81.07054	7.0
83.04994	3.4
83.08605	3.3
89.19498	1.7
91.05479	5.3
93.07040	5.0
95.04961	2.6
95.08604	7.3
95.97782	2.1
98.23421	2.1
105.07027	7.1
107.08579	6.1
109.06525	1.9
109.10165	6.2
117.06991	2.8
119.08570	7.9
119.87114	1.6
121.10133	5.7
123.08066	2.7
123.11694	3.2
131.08577	3.6
133.10120	6.1
135.08055	2.6
135.11696	4.2
142.07748	1.9
145.10138	5.2
147.11658	4.0
151.07483	2.2
157.10101	2.1
159.08067	3.5
159.11702	3.4
161.09613	3.1
161.13203	2.2
173.09532	2.3
175.14705	1.7
179.08600	2.1
183.07961	2.4
188.64192	1.8
189.16293	2.6
191.10645	3.0
196.05148	2.7
197.06023	4.4
198.06662	2.7
199.07684	2.5
207.08121	2.0
211.07588	4.5
213.05563	3.2
213.08893	2.0
214.06284	1.9
215.10532	2.0
219.09993	2.7
221.09724	2.4
222.06706	2.2
223.07465	2.5
225.09105	3.6
226.06111	2.6
226.09767	2.6
227.07043	7.4
228.07883	2.7
229.08647	5.4
233.09546	3.9
235.07417	2.6
235.11172	3.2
236.08324	4.8
237.05493	2.6
237.09132	4.0
238.06255	3.4
239.07057	4.7
240.04022	2.3
240.07796	5.7
241.04985	2.0
241.08658	8.7
242.05717	2.7
242.09198	3.6
243.06548	11.5
247.11177	3.6
249.09119	6.1
250.09935	2.8
251.06967	4.1
251.10651	8.0
252.11371	4.3
253.08476	9.5
254.05783	2.9
254.09357	6.0
255.06560	10.4
255.10181	2.6
256.07272	6.7
257.08017	11.6
258.08890	5.8
259.06100	3.1
261.09122	3.6
262.09900	4.2
263.06857	2.6
263.10724	8.7
264.07996	2.8
264.11343	8.4
265.08527	8.3
265.12234	3.9
266.09192	3.8
267.06494	16.5
267.10126	7.1
267.13577	2.2
268.07178	4.3
268.10867	3.7
269.05228	2.4
269.08038	12.3
269.10699	1.7
270.05273	2.3
270.08832	10.2
271.06039	5.8
271.09570	7.6
272.06802	6.3
273.07462	2.7
274.08517	3.4
276.11288	2.2
277.08600	5.7
277.11932	4.4
278.09412	2.9
278.12833	2.9
279.07059	3.1
279.10129	18.9
279.13440	4.0
280.07736	2.3
280.10904	10.6
281.08063	14.3
281.11362	3.6
282.08798	15.3
283.06195	4.3
283.09692	5.5
284.06845	5.4
284.10388	5.3
285.07550	8.7
285.11154	7.2
286.08304	10.8
287.05585	4.4
287.09033	8.2
289.10916	2.5
291.10172	12.5
292.10919	7.7
293.08081	6.3
293.11688	9.5
294.09216	2.5
294.12454	8.8
295.09677	6.1
295.13269	28.4
296.10440	19.0
296.13489	3.9
297.07523	8.2
297.10803	4.0
298.08456	10.9
299.09122	21.6
299.12427	3.2
300.09683	2.7
301.07196	4.5
301.10654	12.6
302.07828	9.2
302.11298	4.7
303.08667	10.8
305.11725	5.6
306.12537	11.0
307.09613	12.0
307.13266	14.1
308.10361	12.0
308.13739	3.7
309.11151	10.4
309.14822	17.7
310.12073	2.6
310.15622	5.2
311.09241	3.8
311.12769	7.5
311.15994	2.2
312.09958	11.4
313.10709	32.0
314.11472	15.4
315.08582	6.3
315.12259	5.2
316.09265	4.2
317.10217	28.7
318.10989	34.2
321.11066	4.3
322.11877	10.3
323.12796	50.2
323.16516	4.5
324.13422	12.0
325.10840	3.3
325.14526	2.7
326.11392	3.7
326.14960	4.8
327.12344	26.9
327.15930	5.1
328.12964	14.8
329.10080	3.7
329.13538	2.5
330.10965	6.6
331.11710	15.0
332.12546	34.3
333.13400	12.2
337.14319	56.8
338.15048	36.8
339.12207	19.5
339.15860	15.0
340.12930	7.8
341.13742	3.7
341.17352	16.5
342.18100	2.6
344.12674	3.4
345.13354	27.7
346.14014	5.0
351.16086	2.5
352.16653	2.9
353.13776	2.3
354.14655	10.6
355.15417	42.1
356.15637	4.3
357.13315	2.9
358.14313	3.6
359.14841	29.3
360.15405	3.1
369.16983	73.7
370.17697	99.1
371.14490	5.4
371.18814	9.4
383.29535	2.2
386.17328	16.2
401.19543	100.0
401.27209	5.2
402.19931	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	401.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02280	5.8
53.03943	18.8
55.01868	34.4
55.05507	23.8
56.50117	6.6
57.03437	28.0
59.05003	6.1
61.02919	11.5
65.03927	12.0
67.05502	60.0
68.33240	6.6
68.99778	18.3
69.03435	50.2
69.07078	25.5
70.06599	11.3
71.04995	30.2
71.31319	12.8
72.08148	19.5
76.11926	6.6
79.05493	66.4
81.03429	45.0
81.07056	100.0
83.01395	6.2
83.04977	28.9
85.02922	53.9
85.06550	18.4
86.09711	24.9
87.00822	20.7
91.05474	51.4
93.07040	65.5
94.07394	7.0
95.04971	55.0
95.08599	62.7
97.02914	15.7
97.06533	46.4
99.04453	27.3
101.06010	6.1
102.04820	6.3
103.03935	8.7
103.05468	8.3
105.01832	8.9
105.07047	64.9
107.04946	48.5
107.08594	52.6
109.02852	11.0
109.06497	48.5
109.10175	35.8
110.06900	6.7
111.00804	6.6
111.04434	23.6
111.08073	16.7
115.03957	9.5
115.05428	7.0
117.05492	17.9
117.07018	20.4
119.08569	69.8
121.06503	27.7
121.10107	30.8
123.04433	78.0
123.08060	23.5
125.05998	17.8
125.09605	8.4
127.03925	19.4
129.01875	8.2
129.06992	18.5
130.07817	10.4
131.04971	8.2
131.08571	22.0
133.10121	33.4
134.10464	6.1
135.08086	13.5
135.11671	15.8
136.61526	6.1
137.05988	12.5
137.09618	38.5
139.07584	13.6
141.05409	6.3
141.06970	7.8
141.09099	8.1
143.08595	18.5
144.05649	8.6
145.06502	10.5
145.10123	33.0
147.08052	23.6
147.11703	18.4
149.05963	8.7
151.07532	21.3
153.78456	7.2
155.08540	7.9
156.05687	11.3
157.10199	17.2
159.02922	8.1
159.08070	17.8
159.11676	17.8
161.09604	62.0
163.07576	17.1
163.11224	15.6
165.09108	33.2
167.07047	63.3
169.10080	6.6
171.02774	7.8
171.11607	10.0
173.09554	8.8
175.11200	22.7
177.05453	9.8
177.12904	6.9
179.07088	20.2
179.10648	14.9
181.04938	19.7
189.09084	11.8
189.12859	6.8
193.12314	11.7
199.11124	9.5
201.09082	8.5
203.17906	7.9
205.08548	13.5
207.10162	18.5
208.05191	10.2
215.14102	7.0
217.08591	30.3
217.12260	9.3
218.07275	8.9
219.08131	10.0
219.10172	9.5
219.13733	9.7
235.13455	7.9
239.16350	10.6
243.13829	10.5
247.09750	16.9
263.16418	11.5
267.06622	10.4
269.07837	9.9
271.09790	7.9
276.07944	8.4
279.10135	7.6
281.17245	9.5
282.08859	8.9
291.10178	14.8
293.08081	8.7
307.09729	9.0
308.10510	8.6
315.08554	15.7
323.12616	10.7
330.11011	29.7
331.11896	10.2
339.12372	8.5
343.11761	14.3
351.12311	19.2
368.12585	9.8
383.14792	34.2
384.15430	9.3
401.16409	24.1
401.21509	80.0
401.28946	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	401.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.7
57.03430	14.5
57.07068	9.8
67.05511	30.5
69.03425	28.3
69.07066	33.7
69.93449	41.9
71.04986	28.2
73.02899	15.7
73.47054	8.8
74.66703	8.5
79.05497	23.4
81.03427	22.9
81.07056	72.8
83.08630	16.4
85.02908	36.4
86.36514	10.5
91.05476	16.6
93.07061	54.6
95.04996	16.5
95.08608	62.7
97.02911	14.0
97.06534	11.0
105.07006	48.5
107.04956	27.0
107.08578	58.4
109.02869	15.0
109.10156	38.3
111.04458	14.6
117.07014	16.3
119.08581	44.7
121.10155	44.0
123.11707	48.3
125.05952	11.9
125.09667	20.4
131.08575	27.6
133.04951	9.3
133.10153	26.0
135.11702	51.0
145.10100	21.0
147.11699	29.9
149.13248	14.1
156.05702	11.7
159.08044	16.9
159.11758	14.2
161.06073	12.3
161.13327	18.0
167.07043	100.0
173.13373	11.7
181.04985	36.6
187.07562	12.3
189.05486	10.7
190.21465	9.7
203.18010	17.4
205.19426	11.6
208.05211	15.7
217.08595	29.0
221.08006	12.2
221.18958	16.5
235.07574	12.2
247.09683	19.1
264.07791	10.3
267.06339	13.6
275.06921	9.8
282.08990	14.7
290.09140	14.1
291.10278	12.0
293.08215	12.8
315.08713	35.8
323.13000	17.0
330.11072	40.7
343.11618	11.6
351.12375	27.0
383.15009	56.8
383.24280	13.1
401.15802	22.7
401.25150	12.0
424.82639	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	401.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.05515	10.9
57.07065	3.9
65.03944	5.1
67.05508	22.4
69.07059	12.5
69.23883	14.7
69.24282	7.5
71.04992	13.9
79.05501	23.7
81.07063	37.0
83.08602	4.4
88.12720	3.0
91.05486	57.7
93.07047	53.3
95.04980	8.6
95.08624	26.9
97.06512	5.6
98.23465	5.2
101.40325	2.7
103.05502	5.9
105.07030	97.1
106.53305	3.3
107.08605	47.0
109.06525	63.1
109.10144	20.9
111.08083	6.0
115.05457	7.5
116.06243	4.0
117.07024	29.8
119.06099	3.3
119.08578	100.0
119.09456	4.9
121.10155	21.2
123.08061	4.6
128.06180	17.6
129.07021	23.6
130.07788	13.3
131.08582	64.0
133.10132	95.3
135.08014	17.0
135.11682	18.3
137.09642	6.3
141.07013	8.1
142.07791	27.6
143.08569	49.2
144.09340	10.9
145.10129	96.3
147.08067	7.3
147.11668	16.9
149.09621	4.4
153.06993	5.5
154.07750	5.4
155.08542	28.3
156.09338	24.8
156.80006	3.4
157.10129	69.8
158.10944	19.3
159.11708	38.8
161.13199	4.3
165.07045	11.1
166.07750	4.1
167.08575	10.0
168.09363	6.7
169.10172	21.9
170.10912	13.6
171.11714	28.8
172.12492	3.7
173.13293	35.6
173.15509	3.0
175.14804	12.5
179.08577	12.8
180.09299	5.2
181.10179	14.6
182.10934	10.6
183.11728	19.9
185.13292	15.7
187.11362	3.1
187.14822	32.0
189.12766	4.0
191.08563	3.2
191.30090	3.0
192.09439	4.6
193.10147	13.6
194.10925	12.2
195.11693	23.2
196.12408	6.9
197.13321	19.6
198.10284	3.3
199.14758	17.7
201.12733	9.6
201.16357	6.4
205.10048	3.9
206.10931	9.2
207.11629	14.9
208.12424	4.7
209.13287	29.5
210.13910	4.1
211.14935	15.6
212.15605	4.7
213.12892	5.6
213.16508	4.2
219.11671	8.4
221.13286	15.4
222.13966	3.4
223.14818	15.6
225.16281	4.0
228.29736	3.6
231.11697	5.0
232.12737	3.0
233.13306	4.5
234.14069	5.2
235.14798	5.5
236.15599	3.3
237.16414	11.4
239.17889	3.4
241.15909	3.5
245.13148	5.0
246.14098	4.0
249.16487	7.8
251.17973	4.1
252.18967	3.4
261.16455	4.3
263.17947	6.3
265.19547	4.0
275.17847	3.0
287.18094	4.4
321.21991	3.1
343.24332	6.1
371.68262	3.0
383.26590	3.3
401.28384	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51974	12.7
53.58615	13.5
55.05518	14.4
67.05515	26.0
69.07074	20.0
73.68151	11.5
77.81742	11.9
79.05486	19.7
81.07043	23.9
88.07623	17.7
91.05482	43.6
93.07043	66.4
95.04986	14.4
95.08612	32.4
105.07037	96.4
107.08567	57.8
109.06487	59.5
109.10151	29.9
111.08088	12.5
117.06995	22.0
119.08568	86.3
121.10123	25.6
123.11689	16.8
129.07028	33.4
131.08565	61.8
133.10130	100.0
135.11685	37.0
142.07762	15.9
143.08594	36.2
145.10066	99.9
147.11687	17.0
155.08606	16.2
155.84741	16.3
156.09352	20.9
157.10094	57.5
158.10930	20.5
159.11707	46.1
169.10182	18.8
171.11708	35.6
173.13301	42.0
175.14870	19.0
179.08539	24.9
181.10181	26.1
183.11711	16.0
187.14896	36.6
195.11687	30.3
197.13347	18.1
199.14827	17.1
201.16635	11.3
209.13187	24.1
221.13333	21.8
221.47330	13.3
228.74461	15.1
263.55151	13.4
371.52631	12.9
401.28415	44.2
402.39194	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
53.77658	0.4
55.01867	0.8
57.03442	8.1
59.01360	0.4
59.29608	0.4
61.02915	1.2
61.65460	0.3
67.05527	0.6
68.99787	1.8
69.03432	12.7
69.15342	2.9
71.04991	2.0
73.02918	1.5
76.98274	0.4
78.99400	0.4
79.05499	0.7
81.03423	12.0
81.07072	1.3
83.01348	0.6
85.02908	17.0
87.00841	2.5
91.05463	0.4
93.07073	0.7
95.08606	0.9
97.02893	17.1
99.04462	5.9
100.55226	0.4
101.02384	53.1
102.02706	0.6
105.07040	5.3
107.08607	0.5
108.04492	1.6
109.02887	14.9
118.50152	0.4
119.03420	100.0
119.08559	0.6
120.03743	2.3
127.03923	24.5
128.04225	0.6
129.07040	0.4
131.03415	3.6
131.08553	0.8
132.62711	0.4
133.06461	0.4
145.04950	8.9
145.10100	0.7
153.05455	0.7
159.11697	0.5
161.04483	1.5
167.03249	0.4
167.07042	1.5
173.04457	6.9
181.04933	0.7
183.11620	0.5
187.14900	0.5
197.04471	0.9
203.05431	0.8
227.05496	2.2
241.09824	0.7
244.08195	0.5
245.04181	0.7
245.06566	8.7
263.07608	3.5
269.09082	0.4
283.10641	0.5
311.10385	0.4
343.12912	1.5
371.12180	0.8
374.16962	0.4
402.17709	0.5
402.31244	0.6
403.14090	0.7
403.29773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35388	0.3
55.05509	0.6
57.07081	7.6
58.06604	1.7
66.19413	0.3
67.05515	0.4
69.07065	0.7
69.11296	0.8
69.11701	1.8
70.06597	17.7
71.08633	3.3
72.08148	1.1
81.07045	0.5
83.08622	0.6
84.08147	0.4
85.10170	1.3
88.07635	23.5
89.07928	0.5
93.07062	0.4
95.08605	0.8
102.09184	14.9
107.08590	0.7
109.10179	0.7
119.08586	0.7
132.10234	0.9
146.11766	1.0
150.11270	0.8
164.02563	0.3
164.22115	0.3
296.33096	0.5
322.34775	0.4
340.35757	37.8
341.36084	3.2
384.38333	3.3
402.39429	100.0
403.29556	0.5
403.39767	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	403.1389
Annotation	Descurainolide B
Peak:m/z	Relative Intensity
51.03041	2.0
53.03948	4.4
55.01875	6.7
55.05505	4.8
57.07051	3.1
65.03961	3.3
67.05510	8.9
68.99796	2.9
69.03425	5.6
69.07082	6.0
70.06592	5.1
71.04992	2.8
71.31812	2.2
77.03924	3.9
78.04720	3.5
79.05484	15.7
81.03430	7.4
81.07049	11.1
83.04971	2.6
85.02908	3.2
85.06566	2.4
86.09725	6.1
89.03909	5.3
90.88668	2.1
91.05479	39.5
93.03378	2.4
93.07050	6.9
94.04199	7.7
95.04969	7.3
95.08600	7.7
97.02901	2.2
97.06534	2.9
103.05479	25.3
104.06271	4.8
105.03386	15.2
105.07025	23.8
106.04179	6.2
107.04968	21.9
107.08627	8.5
109.02888	3.1
109.06529	9.4
109.10151	5.7
109.21186	2.3
110.03663	4.2
114.03194	2.3
115.05448	7.8
117.03362	6.0
117.06970	3.4
118.04176	4.8
119.04921	14.1
119.08627	8.2
121.06540	13.3
121.10145	5.6
122.03650	12.7
123.04439	5.6
127.03923	6.7
131.04941	48.2
131.08566	4.7
132.02071	3.4
132.05710	44.6
133.02850	37.2
133.06483	13.8
133.10135	20.6
134.03618	4.9
135.04416	7.8
135.08060	3.1
137.05978	61.5
137.09627	9.9
143.04927	3.2
143.08615	5.5
145.02824	3.2
145.06465	3.3
145.10150	9.7
146.03645	6.5
147.04385	20.9
147.11714	4.8
148.05249	5.2
149.05969	23.9
149.09627	2.6
149.13338	2.3
150.03171	3.4
151.03889	4.7
151.07562	6.4
151.11275	2.2
152.04782	2.9
153.05478	8.3
154.06233	2.6
157.10123	2.5
159.04462	5.0
159.08121	2.4
159.11684	5.1
160.05190	20.4
161.02373	9.7
161.05983	41.8
162.03131	4.0
163.03932	6.8
163.07558	8.2
165.05466	86.0
165.12904	2.1
166.05899	4.2
167.03380	3.9
167.07034	52.4
171.11732	3.0
173.06001	2.6
173.13272	3.1
175.03883	4.2
175.07552	3.6
176.04771	2.8
177.05472	43.4
177.06995	2.7
178.06264	5.0
179.07074	10.8
180.07816	18.4
181.04982	16.7
181.06502	3.8
181.08560	5.8
183.06468	3.8
183.11682	3.1
185.13226	4.4
187.04007	3.8
187.14856	5.0
191.07019	29.4
191.14313	7.5
192.07809	100.0
193.04979	36.2
193.06651	4.3
193.08554	13.3
194.05354	4.1
195.06494	2.9
199.14804	3.2
201.05492	3.5
201.16313	3.4
203.07031	3.5
205.05011	2.8
207.06508	7.4
209.08087	8.6
210.08899	8.6
218.07318	2.8
219.06560	8.3
220.05345	2.9
221.06158	3.6
221.08231	2.9
231.06471	10.6
233.05907	3.0
234.06749	5.6
235.07564	10.3
237.05536	4.4
247.07497	5.3
250.06061	2.5
253.08688	2.8
263.07059	4.4
264.07669	4.6
265.08636	3.4
267.10364	2.7
277.08932	2.3
279.06665	2.2
279.10196	6.7
280.07413	8.4
292.07416	3.4
293.07736	3.6
295.09674	18.0
307.09656	7.8
311.09290	5.7
323.09177	3.3
327.12259	3.0
335.08984	4.4
343.12076	2.7
353.10168	43.9
353.14209	3.4
354.10672	4.8
355.11746	6.2
367.11819	12.1
373.12512	2.7
385.12930	10.0
385.28543	2.9
403.13916	11.7
403.29953	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	403.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05510	2.6
58.73942	1.3
60.58323	1.4
61.33032	1.3
67.05499	3.9
69.03472	1.9
71.31422	2.1
79.05506	2.8
81.07056	4.9
87.37540	1.6
91.05476	5.5
91.18495	1.3
93.07060	5.7
95.08603	7.4
105.07040	9.9
105.59929	1.5
107.08597	5.7
109.10188	3.4
117.07025	2.8
119.08586	7.1
119.42683	1.6
121.06547	1.8
121.10166	1.6
129.01903	1.6
129.07004	2.1
131.04926	1.7
131.08548	6.9
133.10167	4.8
143.08589	4.6
145.10127	13.8
147.11781	1.4
149.02328	2.2
149.09669	1.8
155.08565	3.4
157.10133	3.3
159.11713	3.9
161.09598	1.5
161.13248	2.3
167.03416	2.0
167.07159	3.3
169.10141	4.7
171.11755	3.2
173.09752	1.5
173.13278	2.5
175.14809	2.0
181.04945	1.6
182.32149	1.5
183.11742	3.5
185.13298	4.8
187.14848	18.0
188.15167	1.9
193.10193	1.5
193.69614	1.6
195.11726	1.7
197.13304	2.4
199.14806	2.8
201.03732	3.9
201.16447	3.0
203.05301	1.9
203.14378	2.3
209.13316	2.1
211.14836	3.1
213.12964	1.5
213.16357	1.7
221.13327	2.0
223.14867	2.1
225.12694	1.4
229.16029	2.3
277.19339	2.0
345.25845	2.4
347.23764	2.1
385.28787	3.2
403.17316	100.0
403.29895	36.4
404.17557	7.8
404.30280	3.0
415.57870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49998	0.6
63.03040	0.6
64.52520	0.5
68.63863	0.5
77.49606	0.5
98.22634	1.3
116.43600	0.6
120.11793	0.5
149.02428	1.0
150.02734	0.6
201.03676	5.0
203.05420	0.7
225.12505	0.9
403.17294	100.0
404.17648	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	403.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.6
69.13403	2.9
69.13803	0.9
79.54875	0.6
104.00710	0.6
105.07082	0.6
121.10014	0.5
125.10976	0.5
147.58768	0.5
149.05949	0.6
153.05475	0.7
158.51952	0.6
167.07050	0.9
177.05556	0.6
181.05035	0.7
182.15390	0.6
201.03705	2.7
203.05283	1.5
225.12523	0.9
330.51590	0.5
347.76392	0.6
375.05066	0.7
403.17307	100.0
404.17719	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	403.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.80166	0.5
67.05487	1.2
69.03419	0.8
69.07056	0.5
69.09768	4.3
69.10171	0.9
69.69907	0.5
78.38850	0.6
79.05492	1.3
81.07040	0.9
85.02893	0.7
91.05473	0.9
93.07063	1.0
95.04969	1.0
95.08638	1.3
98.23335	1.1
100.91505	0.5
101.51922	0.5
103.05475	0.6
105.07027	1.2
108.32902	0.5
109.10199	0.7
119.08573	1.1
135.08061	0.6
135.11693	0.5
143.08604	0.6
143.35562	0.5
145.10135	1.0
153.05539	0.5
159.11806	0.6
161.05998	0.7
162.68108	0.6
167.07086	2.2
181.04927	1.5
187.14928	0.9
201.03717	3.1
203.05325	1.9
236.57057	0.6
403.17294	100.0
403.29388	2.0
403.93137	0.6
404.17639	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	403.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
59.18328	2.2
65.15185	2.1
67.05501	2.9
69.05725	3.1
69.06124	15.8
81.07042	2.1
101.54855	1.9
102.53285	1.9
103.55441	2.3
105.06990	2.6
133.10077	2.0
157.10312	2.5
167.07027	5.0
181.08644	3.4
182.07274	2.8
183.08066	2.2
195.08104	2.8
197.05954	5.7
198.06717	3.2
199.07597	11.7
204.11491	2.6
210.06818	2.3
211.07541	4.4
212.08266	4.8
213.05417	4.4
213.09142	8.1
215.07045	5.4
225.05592	3.9
226.06155	5.6
227.07010	45.2
228.07751	8.3
229.05046	3.4
239.07088	3.4
240.07884	5.8
241.04660	2.3
241.08536	18.4
242.05798	2.7
242.09322	16.1
243.06487	11.0
243.10201	3.7
244.07341	5.3
253.04977	2.4
254.05852	2.5
255.06589	8.2
255.10233	5.3
256.07297	10.8
256.10718	2.2
257.08078	8.7
258.08801	9.8
259.09586	7.7
268.07312	3.8
269.08099	14.7
270.08884	11.4
271.06046	9.1
271.09622	27.3
272.06772	8.1
272.10315	5.6
273.11151	9.7
281.11636	5.1
283.09659	4.9
284.10452	8.3
285.07761	3.1
285.10916	3.7
286.08337	21.7
287.09119	45.5
288.09589	4.8
295.09796	2.8
300.09827	3.0
301.07208	3.8
301.10684	45.7
302.11475	70.3
303.12091	6.3
309.11234	3.7
310.11639	2.3
311.12848	2.6
313.14206	2.2
315.12259	4.7
325.14325	37.2
326.14944	3.7
327.12216	3.0
329.13754	3.9
331.11755	7.5
333.13361	27.4
334.13416	2.6
340.16690	86.9
341.13672	6.7
341.17328	8.7
356.16217	5.0
371.18500	53.8
372.19168	12.7
373.16138	2.2
388.18918	21.0
402.38794	2.5
403.15848	5.0
403.21140	100.0
404.21484	12.1
424.38773	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	403.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.6
57.07076	0.6
67.05506	3.9
69.07076	4.3
71.04975	0.6
71.30849	0.4
71.31205	0.4
71.93591	0.3
74.07890	0.3
79.05510	2.1
81.07065	4.0
83.04980	2.1
83.08633	0.7
85.06541	0.7
90.64400	0.4
91.05482	3.5
93.07045	4.7
95.04990	0.9
95.08607	8.5
96.08939	0.4
97.06535	0.6
97.10184	0.4
105.07041	4.6
107.08600	3.7
109.06527	0.7
109.10186	2.3
111.00739	0.4
111.04426	1.0
111.08085	1.4
113.06021	0.4
115.05448	0.8
117.07028	1.7
119.08593	4.1
121.10140	1.9
123.08090	0.8
123.11724	0.8
128.06209	1.4
129.01878	0.5
129.07013	1.8
131.08582	2.9
133.10153	2.7
134.10509	0.3
135.08127	0.5
135.11705	1.1
137.09605	0.4
139.07581	0.6
141.06993	2.7
142.07791	3.7
143.08600	4.6
144.09343	0.4
145.10121	2.9
147.08046	0.6
147.11682	0.8
149.13280	0.6
153.07007	1.4
154.07787	0.8
155.08559	13.9
156.09262	1.3
157.10149	4.4
159.11725	2.0
161.09665	0.9
161.13240	0.6
163.11180	0.4
163.14818	0.4
165.07013	3.8
166.07764	1.6
167.08568	3.3
168.09341	1.1
169.10144	3.5
171.11705	1.8
173.13280	0.4
175.11156	0.4
175.14900	0.5
178.07738	1.8
179.08571	10.5
180.09335	2.9
181.10117	4.8
182.10883	1.0
183.11755	1.6
185.13248	0.7
187.11302	0.3
189.12743	0.5
189.16461	0.5
191.08554	2.1
192.09329	3.3
193.10150	8.3
194.10909	5.5
195.11667	5.3
196.12454	1.5
197.13243	8.9
197.14919	0.6
198.13651	0.6
199.14830	0.7
203.08571	0.4
204.09326	0.6
205.10147	3.2
206.10844	2.7
207.11697	8.7
208.12462	2.9
209.13264	17.8
210.13907	1.4
211.14764	1.4
216.09360	0.5
217.10211	0.7
218.10898	1.0
219.11708	3.9
220.12457	2.2
221.13243	7.3
221.15303	0.7
222.13861	1.3
223.14859	3.6
224.15219	0.5
225.16368	0.5
229.56029	0.3
231.11717	0.7
232.12479	1.0
233.13234	4.7
234.14030	2.4
235.14810	4.9
236.15433	0.9
237.16357	0.9
245.13307	0.4
247.14799	3.4
248.15648	2.6
249.16399	8.5
250.16861	0.5
251.14282	0.3
259.14880	0.8
260.15549	0.5
261.16321	2.3
262.17181	1.0
263.17953	12.8
264.18576	2.5
265.19458	1.2
273.16373	0.4
275.17920	1.0
287.17847	0.8
289.19519	2.6
303.21158	0.9
304.21866	1.6
403.26288	100.0
404.26685	11.6
404.31296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.9
55.01871	10.0
55.05512	39.3
57.03431	24.6
57.07088	6.1
59.04998	3.4
65.03940	5.8
67.05508	91.6
67.05852	3.1
69.03436	8.7
69.07069	33.8
69.27590	28.2
69.58045	3.3
71.04995	69.9
79.05491	79.3
81.03440	10.1
81.07056	85.8
83.04989	13.6
83.08630	21.7
85.02903	9.8
85.06545	26.2
86.55129	3.0
91.05485	53.5
92.60150	3.7
93.07041	93.0
94.07367	4.4
95.04988	9.1
95.08614	51.0
97.06527	27.3
97.10166	28.6
99.04481	3.5
105.07024	35.7
107.04936	5.8
107.08593	55.0
109.06519	8.0
109.10159	37.4
111.08109	12.5
112.16696	3.2
115.05476	4.7
117.05511	33.6
117.06998	18.8
119.08581	28.9
121.06544	6.8
121.10139	60.6
123.08055	22.5
123.11684	5.7
125.09611	26.1
129.07068	5.4
131.08569	37.3
133.10130	20.7
135.08096	7.0
135.11702	10.5
137.06021	3.7
137.09674	6.6
139.11183	54.7
141.20978	3.5
143.08571	4.4
145.10167	23.8
147.11717	12.1
149.09630	20.4
149.13348	3.9
151.11174	4.6
153.05518	4.8
157.10172	10.1
159.11678	9.6
161.09596	4.2
161.13271	5.4
163.11160	4.8
167.07027	7.5
167.10718	11.7
171.11714	7.7
173.13301	10.4
181.05008	13.8
181.12244	7.4
185.11751	30.0
185.13228	6.4
189.11224	11.8
191.14372	5.6
193.12210	6.7
197.13220	3.9
203.12791	15.4
221.08163	4.5
227.12817	5.3
229.19514	5.1
239.17926	10.5
241.14359	48.6
257.19019	14.7
259.15402	100.0
275.20084	52.2
276.20282	4.7
283.19150	4.4
293.21164	19.3
349.23752	14.7
367.24780	41.0
385.25925	22.8
403.13913	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	403.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.5
55.01868	13.9
55.05510	38.1
57.03443	9.2
57.85121	4.2
65.03943	7.4
65.22752	3.4
67.05507	75.7
69.03432	31.9
69.07078	42.4
69.30296	3.9
70.90367	8.7
71.04999	31.3
73.06532	5.2
79.05491	67.9
80.05795	4.2
81.03415	6.4
81.07056	67.7
82.03770	3.3
83.05017	18.8
83.08625	14.5
85.02923	10.0
85.06564	10.2
91.05486	72.8
91.05984	3.0
93.07044	100.0
95.04983	15.2
95.08614	49.4
97.06545	32.4
97.10149	19.2
99.08092	4.4
103.26608	3.2
105.07032	47.0
107.04942	8.7
107.08605	47.2
109.06545	11.6
109.10153	28.4
111.08111	17.4
115.07571	7.0
117.07030	27.4
119.08584	36.7
120.08962	3.7
121.06538	8.0
121.10135	33.1
123.04450	4.1
123.08085	7.5
123.11733	6.4
125.09642	12.2
127.03909	7.5
127.07527	3.4
129.07008	9.0
129.09120	5.8
131.08594	36.8
133.06485	4.5
133.10141	32.0
135.08017	9.8
135.11679	9.2
137.09653	11.2
137.13264	7.3
139.11166	16.7
143.08585	3.7
145.10161	32.4
147.11681	26.3
149.09619	7.5
149.13260	9.3
151.11163	6.8
153.05435	4.1
155.10646	3.9
157.10106	10.6
159.11636	16.6
161.04492	6.3
161.13254	10.3
163.11211	5.9
165.12772	9.1
167.07069	13.6
169.10120	4.8
169.12285	6.4
171.11694	12.5
173.13246	8.5
175.11237	6.5
177.05441	3.9
181.04964	14.9
181.12419	4.0
183.11688	8.0
185.11786	4.3
185.13319	5.3
187.14828	7.8
189.11221	9.0
189.12793	7.2
191.14317	7.0
193.12241	13.7
197.13264	4.9
203.12775	22.0
207.13759	3.6
211.13272	11.8
217.12334	4.4
225.14835	3.4
229.14288	4.3
229.19576	4.0
239.17889	5.7
241.14287	5.0
243.15971	5.5
257.19037	11.0
259.15430	7.6
271.06012	10.6
271.08746	3.5
275.20044	48.6
293.21179	7.6
349.23737	13.5
367.24847	17.0
385.25839	14.2
403.13812	8.0
403.30029	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	403.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09750	1.6
66.11816	1.4
67.05492	2.9
68.99792	1.9
69.59134	7.6
81.07068	2.5
87.63822	1.8
91.05506	3.8
95.08639	2.6
109.10172	2.3
119.08646	1.7
129.01871	8.4
129.43188	1.7
157.01314	1.9
175.41052	1.9
185.08087	3.2
243.92181	1.8
371.25592	100.0
372.25931	8.3
385.27103	5.0
403.14786	1.9
403.28174	14.5
403.33157	4.0
404.28305	2.2
424.70245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	3.5
60.64396	3.2
69.96083	12.5
70.67811	3.1
72.08160	6.2
83.45300	3.1
84.49719	3.4
85.02909	14.5
86.09709	6.2
88.66704	3.4
91.05481	15.7
92.47588	3.9
97.02914	6.1
119.04960	26.2
145.04922	4.2
147.04399	18.9
157.05103	4.4
175.03923	36.6
177.05453	4.4
192.04201	11.8
193.05156	3.4
207.06529	100.0
208.06969	5.4
225.07611	40.5
233.42480	3.8
322.43442	3.9
422.73151	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56339	1.2
57.97932	0.8
69.03436	1.4
69.16991	6.0
69.17381	1.7
71.53150	0.8
74.98112	0.8
85.02911	7.4
89.03949	1.1
91.05481	15.9
97.02856	1.2
98.22466	0.9
118.04185	1.3
119.04947	21.8
121.40415	0.9
123.11710	1.5
126.09031	0.9
145.04938	1.4
147.04410	20.8
149.02344	1.7
157.03981	2.4
162.07729	0.9
164.04698	1.9
175.03905	38.2
175.05438	1.9
177.44656	0.8
179.07033	2.2
180.08635	2.2
192.04164	9.6
207.06525	100.0
208.06812	4.1
225.05347	2.1
225.07565	32.7
226.07875	1.3
346.16321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
65.03942	0.9
67.05509	0.3
69.03421	0.4
70.06592	0.7
71.01338	0.5
71.31885	0.3
72.08151	0.3
73.02921	0.8
74.14494	0.3
75.04475	2.2
76.09757	0.3
81.03435	0.3
84.08139	0.3
85.02911	3.1
86.09694	1.1
87.55137	0.3
91.05482	100.0
92.05820	2.9
95.01337	2.5
97.02915	0.5
99.00797	0.3
103.03950	0.3
103.05475	0.3
109.19165	0.3
113.02364	1.2
119.04939	0.8
123.82249	0.3
131.03410	0.5
131.04897	0.3
137.05974	7.2
141.01834	5.3
148.35349	0.3
159.02916	0.7
167.07057	0.7
174.81427	0.3
177.05396	0.4
181.04924	0.6
193.08606	43.1
194.08917	2.0
205.08585	0.3
207.06493	0.5
211.09657	13.5
211.11668	0.7
212.09999	0.7
351.10538	0.5
369.11600	1.2
405.15198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32820	0.5
54.98641	0.7
56.96303	1.1
56.96568	15.0
63.59578	0.6
64.10745	0.5
67.21507	0.6
70.86044	0.7
70.86392	0.9
71.95257	2.9
90.58013	0.6
94.04174	1.1
98.97587	91.7
99.97937	0.9
107.04958	0.7
116.98627	60.3
120.38711	0.6
122.03657	4.9
129.97220	0.7
134.99663	27.6
137.05984	44.8
138.06313	1.8
140.00185	2.6
153.00716	3.5
158.01295	1.4
170.66502	0.6
179.00117	1.9
197.01329	3.0
198.02068	1.4
204.68594	0.6
215.02269	0.9
220.00467	2.1
224.09657	1.6
226.11150	17.8
226.13200	1.2
227.11542	0.7
235.02777	60.1
236.03119	2.9
238.01508	2.3
242.10712	0.9
244.12225	9.5
245.12741	0.6
253.03853	100.0
254.04172	5.7
267.13843	1.0
268.12100	3.4
271.04904	5.3
276.05438	9.9
277.05496	0.8
280.12210	2.3
329.12955	1.5
344.15308	7.9
345.15552	0.7
362.16315	2.3
404.17462	66.6
405.17929	6.5
405.22827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.9
65.03943	11.7
67.05494	17.6
69.01017	31.4
69.01429	88.0
69.03439	16.6
69.23859	10.7
73.02898	11.0
79.05479	16.9
81.03431	24.0
81.07063	20.5
85.02885	22.1
91.05463	39.9
93.07032	39.3
95.04964	15.7
95.08635	12.3
97.02916	11.9
102.20462	11.2
102.42130	12.4
105.01783	12.2
105.07036	19.7
107.04983	26.7
107.08596	26.7
119.08624	14.6
121.10122	22.6
123.08079	23.2
127.03873	24.3
131.08517	16.0
136.07581	48.0
137.05992	20.4
137.09599	34.3
139.11230	11.4
143.89394	10.1
147.11652	19.0
148.88144	9.4
151.03929	25.3
152.07060	10.7
159.08047	14.0
159.11703	11.6
161.05907	10.3
164.07091	30.9
167.07062	40.3
181.04970	81.2
189.12758	12.3
193.08723	13.6
205.08662	11.9
207.13814	33.3
221.07793	13.0
228.36983	12.8
233.08101	48.9
366.53268	11.0
369.12714	12.6
387.14706	17.8
404.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81793	4.2
58.11289	5.5
58.63016	4.2
61.43712	4.5
70.00003	5.2
71.06110	4.6
71.16148	8.6
85.02914	30.8
91.05476	67.2
95.04984	4.9
97.02874	6.2
119.04965	24.8
123.11664	31.4
132.71071	6.5
147.04417	22.1
147.11697	6.4
156.10219	14.7
160.70090	5.6
163.17531	6.0
175.03915	39.4
180.06673	6.6
189.12852	7.9
192.04231	7.5
193.08562	17.2
207.06528	100.0
207.08308	8.4
207.13799	16.2
225.07634	23.2
269.44891	5.2
348.87234	4.9
386.60953	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	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45030	7.6
65.03960	8.6
67.05499	8.8
69.35976	27.0
69.36405	22.1
70.06598	11.0
72.08162	10.8
73.90813	7.2
80.37327	7.7
81.07067	8.6
85.02937	20.3
86.09714	24.4
91.05494	14.2
93.07029	9.6
105.07021	17.1
107.04958	12.3
119.04930	9.9
121.06499	8.3
123.04445	10.2
131.04919	13.9
145.10127	11.0
147.04482	11.8
147.11737	15.1
148.05234	10.1
149.09636	10.3
151.03748	7.5
151.07578	7.9
153.05510	10.4
161.06015	15.0
162.97368	8.3
163.07579	9.2
167.07050	80.6
173.12901	12.0
179.07082	15.7
181.04967	10.4
183.32021	8.6
189.12764	57.4
207.13777	10.9
281.60095	8.1
307.44736	8.3
309.25003	8.4
342.20419	8.3
360.12613	12.9
404.11847	38.9
404.25684	8.2
405.17291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01890	4.4
55.05506	4.1
57.03431	2.8
58.68042	1.6
59.04998	3.5
66.17538	1.8
67.05498	2.9
68.51147	1.7
68.99802	2.8
69.03428	13.1
69.07057	2.7
71.05000	4.4
71.31094	2.9
72.08156	2.1
73.02921	4.1
78.80386	1.8
79.05485	5.5
81.03426	7.1
81.07062	3.7
85.02908	43.3
85.06543	2.1
86.09704	2.3
87.00845	13.6
87.04472	2.2
91.05489	9.8
93.07038	8.3
94.41886	1.8
95.08608	6.1
97.02899	16.9
97.06575	2.0
99.04435	3.8
101.06042	2.3
105.01860	13.6
105.03387	2.4
105.07034	16.2
107.08598	19.5
109.02879	8.8
109.06522	5.3
109.10154	3.0
110.06024	2.2
116.06202	2.0
119.08598	21.0
121.06515	5.2
121.10164	14.2
123.08080	5.1
123.11739	9.8
124.07595	2.2
126.09166	2.4
127.03908	17.9
129.07059	2.9
130.07698	2.3
131.08574	12.1
133.10129	5.8
135.08052	23.0
135.11682	5.9
137.05971	3.4
137.09612	2.7
138.09126	6.2
141.06938	2.7
143.08553	7.9
145.04916	9.3
145.06445	2.0
145.10146	8.5
147.08066	18.1
147.11690	18.0
149.09612	11.5
156.09087	13.8
156.10455	15.6
159.02916	4.1
159.11687	3.8
160.05331	1.9
161.09619	2.5
161.13287	7.8
163.07570	3.1
165.09120	5.4
171.11691	33.9
175.03899	2.0
189.03937	4.2
189.12735	27.6
205.08569	2.6
207.06531	5.5
207.10121	3.5
207.13817	100.0
208.14183	5.5
229.08592	2.7
231.05096	4.4
242.08073	2.5
242.13875	3.9
247.09778	4.7
405.16959	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38018	3.0
53.03930	4.1
55.01881	3.3
55.05507	8.4
57.03423	2.6
57.07069	6.8
58.25454	2.6
59.04992	5.0
65.03949	3.2
67.05509	22.7
69.03417	10.9
69.07063	11.9
69.20529	18.1
69.20943	6.2
71.04982	4.2
79.05484	10.5
81.03410	5.3
81.07067	12.8
83.04971	5.0
83.08623	4.5
85.02924	13.3
85.06540	20.2
85.61211	2.5
87.00802	3.6
91.05474	14.7
93.07053	14.7
95.04965	4.5
95.08604	100.0
97.02912	5.2
97.06509	4.4
97.10129	3.2
98.24377	2.4
99.08067	10.7
103.05486	2.9
105.07034	29.6
107.04972	4.9
107.08581	18.6
109.06509	10.5
109.10143	11.8
111.08089	3.4
113.06015	22.8
119.08587	38.2
121.06499	5.9
121.10127	17.0
123.08063	18.0
125.06046	3.1
125.09708	3.3
127.07549	28.0
129.06981	2.7
131.08569	4.9
133.06480	4.4
133.10088	8.8
135.08055	4.3
135.11673	4.8
137.05946	8.4
143.08530	5.2
145.04967	4.2
145.10139	9.9
147.04446	3.5
147.08080	5.0
147.11717	16.5
149.09616	11.2
151.07620	5.1
157.10138	3.5
161.13240	26.5
171.11656	7.6
173.13191	2.9
179.14345	17.4
181.04950	7.6
183.11624	4.1
185.13240	4.8
187.14848	4.7
189.12799	26.6
207.13812	69.7
208.14247	3.2
217.12161	4.1
233.08061	7.3
235.13344	5.1
242.08066	14.9
329.16495	3.3
404.20520	11.6
405.11475	6.9
405.31378	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.9
65.03943	11.7
67.05494	17.6
69.01017	31.4
69.01429	88.0
69.03439	16.6
69.23859	10.7
73.02898	11.0
79.05479	16.9
81.03431	24.0
81.07063	20.5
85.02885	22.1
91.05463	39.9
93.07032	39.3
95.04964	15.7
95.08635	12.3
97.02916	11.9
102.20462	11.2
102.42130	12.4
105.01783	12.2
105.07036	19.7
107.04983	26.7
107.08596	26.7
119.08624	14.6
121.10122	22.6
123.08079	23.2
127.03873	24.3
131.08517	16.0
136.07581	48.0
137.05992	20.4
137.09599	34.3
139.11230	11.4
143.89394	10.1
147.11652	19.0
148.88144	9.4
151.03929	25.3
152.07060	10.7
159.08047	14.0
159.11703	11.6
161.05907	10.3
164.07091	30.9
167.07062	40.3
181.04970	81.2
189.12758	12.3
193.08723	13.6
205.08662	11.9
207.13814	33.3
221.07793	13.0
228.36983	12.8
233.08101	48.9
366.53268	11.0
369.12714	12.6
387.14706	17.8
404.20795	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01862	6.2
57.03438	2.6
61.02927	2.8
63.04538	1.3
65.03931	1.8
67.05502	3.9
69.03426	14.0
69.07063	3.7
71.04983	2.8
71.31506	1.4
73.02906	2.5
76.45442	1.3
79.05491	3.7
81.03426	12.6
81.07053	3.6
83.04999	2.8
85.02902	36.5
86.09664	1.8
87.00828	11.6
91.03969	1.3
91.05482	3.9
93.07031	3.0
95.04979	3.3
95.08614	3.5
97.02890	15.9
97.06509	1.9
99.04455	6.8
105.01888	10.7
105.07022	5.6
107.04958	3.1
107.08592	2.7
108.04451	3.2
109.02894	13.4
109.06536	2.4
109.10172	1.9
111.04422	2.2
111.08079	2.1
117.01833	1.5
119.04964	3.2
119.08566	3.4
121.06503	1.3
121.10140	4.0
123.04402	2.2
123.08069	100.0
124.08409	2.7
126.05510	1.8
127.03908	21.2
129.01851	2.4
129.06935	1.3
131.08565	1.9
133.02763	1.4
133.06483	1.7
135.04491	2.0
137.05969	4.5
145.04947	14.3
145.10138	2.4
147.04359	2.9
149.05942	2.0
151.07594	1.6
153.05472	2.6
159.02872	7.6
159.11745	1.5
161.05988	1.8
163.07611	3.5
165.05518	1.6
167.07019	13.0
171.11671	1.9
177.05434	2.1
181.04951	4.6
181.08640	3.0
181.12180	8.0
187.14796	2.7
191.07050	2.3
193.08662	2.1
201.16382	1.5
207.13826	2.8
225.14810	8.5
231.04974	3.7
247.09511	1.6
249.06160	1.4
344.29700	1.5
404.14157	1.5
404.30386	2.2
405.15594	2.0
405.31378	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	405.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92225	4.5
53.03944	6.2
53.53468	4.5
55.01882	7.7
55.05487	6.3
55.10639	5.7
57.03441	8.1
58.26035	4.3
65.03841	4.5
66.63140	4.4
67.05505	21.9
68.99776	5.5
69.03430	34.3
69.07079	7.2
70.06589	4.3
71.04996	14.3
71.16318	7.3
79.05513	12.6
79.41840	4.8
81.03420	32.4
81.07052	18.1
85.02909	91.5
86.03245	7.3
87.00823	33.0
91.05490	20.8
92.05819	7.7
92.65102	4.9
93.07066	10.7
95.04971	10.6
95.07324	6.8
95.08595	12.9
96.08144	10.7
97.02882	20.6
97.06525	8.5
98.23457	4.9
99.04453	19.6
103.03922	7.1
105.01883	28.8
105.07043	14.0
106.02209	5.2
107.08576	13.8
108.08119	16.4
109.02896	26.3
109.06525	6.7
110.09682	6.2
112.76885	5.7
117.06999	6.1
119.04944	6.5
120.08110	14.8
121.06460	9.4
121.10143	11.1
123.08076	6.7
123.16824	5.1
125.05988	15.2
126.05520	9.0
126.09182	4.8
127.03935	43.1
127.81913	6.4
128.04271	8.1
129.01826	5.4
131.08591	7.5
133.10159	7.3
134.97832	4.6
135.07935	4.3
136.07614	31.5
137.05968	9.1
138.09163	35.3
138.43930	5.2
139.11168	9.6
140.07074	6.3
145.04956	17.8
150.09181	5.4
152.07077	59.9
154.08629	7.5
164.07083	30.5
166.08604	8.1
167.07074	28.0
178.08601	16.4
181.04964	23.3
182.08115	92.8
189.03931	19.0
192.10187	5.7
194.09081	5.5
206.08154	17.5
220.09680	10.1
225.14767	6.0
230.08864	7.1
231.04898	8.9
240.53528	4.9
243.16003	10.2
247.88652	6.1
248.09189	100.0
249.09491	5.9
309.45779	5.6
334.09271	11.9
373.13947	7.1
405.15558	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	405.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.01879	11.7
55.05512	11.1
61.02948	6.2
67.05515	15.9
69.03437	9.7
69.07069	37.2
70.41148	6.1
70.41540	6.2
71.01378	3.4
71.04994	16.6
73.02919	10.7
73.76070	3.1
79.05485	19.6
81.03429	5.5
81.07065	36.0
83.04979	15.9
85.02880	3.3
85.06557	10.4
89.86813	3.0
91.05480	23.5
93.07059	59.9
95.04974	100.0
95.08624	12.5
97.02869	3.0
97.06530	18.9
99.04444	5.7
101.02402	11.8
105.07037	54.9
106.07400	4.1
107.05003	4.9
107.08604	29.5
109.06515	29.6
109.10173	3.7
109.92940	3.5
111.08087	3.6
111.11709	6.6
113.06030	6.8
117.07036	9.9
119.03448	7.9
119.08572	23.9
121.06524	17.1
121.10154	42.0
123.04432	3.7
123.08057	3.5
125.06026	9.1
127.07562	6.0
129.07016	5.0
130.07797	6.6
131.08560	27.3
133.06546	9.1
133.10146	13.1
135.08122	3.3
135.11711	17.6
137.05991	15.2
137.60681	3.1
139.07574	3.6
139.11218	23.3
143.07072	4.7
143.08595	11.8
145.06557	3.7
145.10133	72.1
147.02927	7.9
147.08170	2.9
147.11722	8.4
149.05986	4.9
149.09654	11.6
151.07562	38.4
155.07040	6.2
157.10217	6.3
159.08102	4.5
159.11696	22.1
161.04440	31.2
161.09613	6.7
163.11191	39.4
165.09183	4.7
167.07178	2.9
167.10704	3.4
169.10077	4.7
171.11684	5.1
173.09633	29.6
173.13330	5.0
175.11278	3.9
175.14870	3.8
181.12297	11.6
185.13316	7.8
187.11208	39.2
187.14830	8.5
188.11525	3.7
190.13499	3.4
191.10678	54.6
199.14885	4.3
201.16394	5.4
205.12296	19.1
209.11731	37.4
209.13469	3.5
211.14871	3.1
215.10689	17.8
233.11720	28.2
243.08667	7.0
251.12888	12.6
259.13345	2.8
269.10715	2.9
281.13779	3.6
291.12256	3.3
299.14957	12.9
305.13922	4.7
309.13318	11.8
323.14828	13.1
327.14587	4.3
333.13391	4.2
351.14325	23.3
369.15247	15.3
405.31390	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	405.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01871	4.5
55.05500	1.3
65.03938	2.1
67.05521	1.5
69.07075	3.2
71.31392	2.0
78.04714	2.8
79.05497	18.3
81.07053	2.7
85.02887	1.5
89.03961	1.4
91.05476	18.0
93.07079	3.0
95.04965	5.2
97.06522	5.3
103.05463	13.2
105.04518	1.9
105.07030	49.1
106.04195	3.3
106.07378	1.5
107.04954	30.0
107.05678	1.4
110.95116	1.1
115.05450	24.7
116.06210	1.3
117.07014	7.5
118.04169	4.5
119.04961	6.2
119.08564	6.0
121.06522	10.4
121.10153	1.7
122.03654	3.2
123.04408	8.6
124.05204	4.7
125.05982	3.2
128.06264	2.2
129.06999	7.8
131.04933	8.2
131.08580	10.4
132.05728	2.3
133.06490	47.9
137.05969	27.1
140.04677	2.6
141.06979	3.1
143.04918	6.5
143.06078	4.0
143.08504	2.0
144.05696	2.9
145.06465	10.4
145.10152	2.2
147.04416	11.4
147.08043	13.1
149.05994	7.2
151.03964	1.9
151.07466	2.1
152.04675	2.5
153.05495	2.6
154.06296	2.2
155.07037	1.8
157.06511	2.1
157.07697	1.8
158.07317	2.2
159.08107	7.9
160.05270	2.0
161.05974	90.8
162.06375	5.4
162.53969	1.2
163.07611	2.5
163.11168	6.4
165.05461	1.5
167.07028	100.0
168.07428	5.4
173.09641	4.4
175.07549	37.8
176.07986	1.9
177.05498	3.3
177.09125	4.2
179.07071	4.6
180.07753	1.2
181.04959	25.0
181.06473	2.0
181.08470	8.4
183.41881	1.2
187.07521	3.3
191.06989	1.7
191.10669	25.9
193.08604	46.4
194.08975	2.2
195.10110	2.8
201.09085	10.1
205.12267	1.6
207.10136	13.8
209.08047	1.6
218.09416	1.6
219.10133	5.4
223.13234	8.2
233.11710	23.3
234.12169	1.6
250.52975	1.2
251.12761	22.7
337.73132	1.4
345.13162	2.6
423.26703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.02383	0.4
53.03960	0.8
55.01866	0.7
65.03931	0.3
66.04713	0.4
67.05497	0.4
69.03423	0.3
71.05007	0.2
71.31636	0.2
77.03933	0.4
78.04710	4.2
79.05143	0.2
79.05493	5.1
81.03419	0.3
81.07050	0.6
85.02885	0.2
86.09693	0.3
91.05482	3.1
93.03397	0.3
93.07062	0.8
93.27283	0.2
94.04177	0.4
95.04970	1.4
95.08604	0.4
96.05756	0.5
99.04411	0.2
103.05466	6.4
104.05730	0.2
105.03401	0.4
105.04504	0.5
105.07033	6.8
106.04175	2.5
106.07366	0.2
107.04956	8.8
108.05783	0.4
108.08137	0.2
109.02845	0.4
109.06509	0.7
111.08083	0.3
115.05456	2.7
117.07022	1.4
118.04164	0.5
119.04948	0.8
119.08590	0.3
120.05753	0.2
120.08115	0.2
121.02857	0.3
121.06506	2.1
122.03642	0.7
123.04432	8.7
123.08062	0.5
124.05236	3.7
125.05978	0.5
125.72850	0.2
128.06223	0.5
129.06987	0.9
130.07784	0.3
131.04929	8.0
131.08560	0.7
132.05649	0.6
133.06496	6.4
133.07515	0.3
134.03586	0.8
134.06833	0.2
135.04408	0.6
135.08046	1.7
136.05185	0.5
137.05969	3.3
138.03098	0.2
138.06708	0.3
138.09143	0.2
139.07562	0.4
141.06976	1.1
143.04904	0.5
143.05978	0.4
143.08586	0.4
144.05698	0.7
145.06496	2.3
145.10132	0.6
145.68425	0.2
147.04407	1.8
147.07993	0.4
147.11700	0.3
149.05963	0.9
151.03914	1.8
151.07544	3.6
152.04686	2.6
152.07939	0.2
153.05431	0.7
155.06052	0.4
155.08484	0.3
157.06445	0.4
157.10168	0.3
158.07224	0.8
159.08058	1.0
159.11668	0.2
160.05199	0.6
161.05978	8.1
162.06459	0.5
163.07539	14.8
164.07924	0.8
165.05496	0.2
165.09102	0.6
166.06308	0.2
167.07037	100.0
168.07387	3.9
170.79674	0.2
172.05220	0.4
173.05997	1.1
173.09624	0.3
174.06717	0.2
175.07547	2.2
176.08032	0.2
177.05498	0.2
177.09138	1.7
178.06119	0.3
179.07031	2.4
180.07780	0.2
181.05055	0.4
181.08588	5.1
181.10150	0.3
183.11841	0.3
185.13274	0.6
186.06821	0.2
187.07549	2.3
187.14760	0.2
189.09103	0.4
189.14632	0.2
191.07033	0.5
192.07835	0.5
193.08603	19.0
194.08928	1.1
195.10138	0.7
201.09154	0.8
202.07791	0.2
203.08553	0.5
204.07727	0.2
205.08601	1.2
207.10165	0.7
217.08600	0.5
218.09233	0.3
219.08012	0.4
219.10080	2.3
220.08849	0.5
231.08025	1.0
231.10056	0.2
232.08820	0.2
233.11656	1.3
235.11259	0.4
237.09065	0.3
237.11064	0.9
245.09785	0.2
247.07565	0.2
248.08353	0.5
249.09100	0.3
259.07535	0.3
263.10696	0.9
277.08591	0.2
280.10764	0.2
291.10236	0.9
295.13275	0.7
305.11804	0.2
313.14276	0.2
323.12717	2.1
324.13455	0.4
327.70200	0.2
355.15411	2.8
387.18045	0.8
387.26566	0.2
405.14951	0.4
405.27548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1907
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
51.02383	0.4
52.24754	0.1
53.03942	0.5
55.01862	0.5
55.05508	0.2
57.03432	0.2
60.41397	0.1
62.69636	0.1
65.03927	0.4
66.04715	0.4
67.05497	0.3
69.03417	0.2
69.07095	0.1
69.13100	0.6
69.13515	0.4
77.03916	0.5
78.04714	3.5
79.05492	4.7
81.03426	0.4
81.07053	0.7
85.02889	0.3
91.05474	2.5
93.03400	0.3
93.07056	0.8
94.04173	0.4
95.04974	1.3
95.08607	0.4
96.05759	0.3
96.08099	0.2
96.71264	0.1
97.06508	0.3
98.23324	0.3
100.11272	0.2
103.05469	6.0
105.03400	0.5
105.04491	0.3
105.07031	6.8
106.04177	2.8
106.07368	0.2
107.04953	7.9
108.05784	0.2
109.02871	0.3
109.06505	0.7
111.08054	0.2
115.05453	2.6
116.06264	0.2
117.07009	1.3
118.04163	0.4
119.04945	0.9
119.08568	0.4
121.06497	1.8
122.03668	0.8
123.04427	8.8
123.08062	0.6
124.05230	4.1
125.06009	0.7
128.06216	0.4
129.07034	0.9
130.04097	0.2
130.07742	0.2
131.04924	7.7
131.08597	0.7
132.05649	0.6
133.06490	6.4
134.03627	0.7
134.06789	0.2
135.04410	0.4
135.08047	1.6
136.05212	0.3
136.07607	0.3
137.05975	3.4
137.09531	0.2
138.03107	0.2
139.07562	0.4
141.06984	0.8
143.04866	0.5
143.06058	0.7
143.08562	0.2
144.05669	0.8
145.06474	2.1
145.10121	0.3
147.04388	1.7
147.08051	0.4
148.04915	0.1
149.02364	0.2
149.05922	0.7
151.03929	1.8
151.07536	3.9
152.04669	3.0
153.05440	0.4
155.06067	0.3
156.05678	0.4
157.06494	0.5
158.07239	0.9
159.08035	0.9
159.11670	0.2
160.05188	0.6
161.05975	7.4
162.06606	0.3
163.07539	14.6
164.07924	0.5
165.09126	0.4
166.06268	0.5
167.07034	100.0
168.04106	0.2
168.07370	3.7
169.06482	0.4
172.05223	0.4
173.06041	1.2
173.09608	0.3
173.13243	0.2
174.06738	0.2
175.07559	2.1
177.05453	0.3
177.09111	1.8
178.06277	0.3
179.07010	2.9
179.08493	0.3
180.07559	0.1
181.08591	4.7
181.10143	0.3
185.13315	0.2
186.06766	0.3
187.07541	2.1
188.08026	0.2
189.09035	0.5
191.07051	0.3
192.07788	0.3
193.08598	18.0
194.08839	0.8
195.10187	0.6
199.07449	0.2
201.09142	0.8
202.06169	0.2
202.07863	0.2
203.08571	0.5
204.07838	0.2
205.08568	1.4
207.10208	0.5
215.73001	0.2
215.98770	0.2
217.08517	0.9
219.08046	0.3
219.10149	2.1
221.11598	0.2
231.08157	0.8
231.10107	0.2
233.09601	0.3
233.11650	1.3
235.11165	0.3
237.11256	0.8
245.09631	0.2
247.07492	0.2
248.08377	0.4
251.12683	0.2
259.07544	0.3
263.10626	0.9
264.11279	0.2
272.42795	0.1
277.08908	0.1
280.11066	0.3
291.10193	1.1
295.10190	0.1
295.13016	0.8
305.11801	0.2
308.10483	0.2
313.14154	0.2
323.12817	2.2
324.13412	0.3
340.12802	0.2
355.15408	3.3
356.15814	0.3
387.18048	0.8
405.19101	0.4
405.31406	0.2
422.51407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
62.74597	1.6
65.03957	2.6
69.07074	2.4
70.57424	4.5
78.04713	1.7
79.05503	5.3
91.05516	3.7
93.07087	2.3
95.04978	6.8
103.05497	2.2
105.07047	2.6
107.04958	25.9
108.05241	1.6
109.71142	1.7
117.07129	1.5
119.04980	2.1
121.06538	3.8
123.04443	11.2
124.05226	2.1
125.06147	2.2
130.67516	1.5
131.08542	3.1
132.10249	3.3
135.08089	6.6
137.06041	4.7
140.04733	2.9
143.08597	2.1
145.10179	3.8
147.04463	1.6
151.03979	2.7
152.04654	2.8
155.07066	3.2
158.07317	6.2
163.07555	9.4
167.07047	100.0
168.07381	4.8
173.09657	7.5
177.05525	2.1
177.09251	2.0
180.07823	2.6
181.04982	23.3
181.08594	12.4
183.06569	6.4
191.10762	4.4
195.10120	15.7
201.09120	15.4
201.13086	1.6
219.10184	26.4
223.13263	2.8
233.11659	7.8
251.12807	36.4
336.66989	1.6
359.08978	1.8
360.50360	1.8
405.22565	2.9
406.35458	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	405.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00803	1.5
55.01854	7.9
55.05511	13.8
57.03439	7.7
57.07074	4.6
67.05514	11.1
67.40784	1.6
69.07062	13.0
70.97961	2.7
70.98269	1.9
71.08642	2.3
72.93710	1.8
79.05499	6.9
80.94884	1.5
81.07066	14.2
83.08605	13.6
91.05483	3.1
93.07025	10.5
95.08603	12.0
96.49456	1.7
97.10176	6.7
98.98461	3.6
105.07043	8.2
107.08595	4.9
109.10167	4.3
111.11731	1.8
113.00013	100.0
113.73557	1.5
119.02970	1.7
119.08575	3.0
121.10106	8.9
123.11708	3.7
129.06952	1.6
135.11674	4.8
145.10147	4.2
147.11693	2.7
149.13249	2.5
155.00998	2.3
157.10149	2.0
159.11674	3.6
159.81830	1.8
169.02603	73.8
170.03041	1.7
173.13310	2.4
220.91908	1.6
237.22176	6.3
309.49634	1.7
335.41586	1.8
352.85303	1.6
387.25323	2.8
405.26294	2.8
405.36407	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	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	10.3
55.01871	17.0
55.05512	53.0
57.03439	11.2
57.07064	14.8
65.03957	5.2
67.05507	84.5
69.03437	30.9
69.07076	50.9
70.62778	5.5
70.63107	4.1
71.05000	10.4
71.08644	5.8
73.02941	3.2
79.05494	72.7
81.03417	26.7
81.07059	96.1
81.07522	5.4
83.04989	16.2
83.08627	28.1
85.02901	14.8
85.06557	7.4
91.05482	65.7
91.05999	4.3
93.07047	79.0
93.07616	4.5
93.54153	2.4
95.04978	17.4
95.08613	69.3
97.02901	12.9
97.06535	12.4
97.10181	14.2
98.11900	2.7
99.04478	4.8
99.08099	2.6
103.05450	4.8
105.07034	82.3
107.04975	12.6
107.08606	52.3
108.49687	2.5
109.02891	5.3
109.06515	9.7
109.10165	42.2
111.04458	7.8
111.08099	8.9
111.11729	4.6
112.97272	2.8
113.00021	100.0
115.03955	3.8
115.05492	7.1
117.07021	46.5
119.08592	62.0
121.06493	8.9
121.10158	44.8
123.04430	4.5
123.08080	7.7
123.11703	16.5
125.09599	4.6
127.03947	6.1
128.06233	6.9
129.05499	6.7
129.06993	24.3
131.08575	52.3
131.09508	4.5
132.08943	2.8
133.06511	8.1
133.10143	55.1
134.10428	3.6
135.08076	8.9
135.11703	28.8
137.06023	3.9
137.09570	5.2
139.11174	3.2
140.40508	2.3
141.06978	8.5
142.07813	4.2
143.08569	26.0
145.06506	8.9
145.10117	46.4
146.10551	3.2
147.07999	13.7
147.11684	30.6
149.09558	5.9
149.13277	15.0
151.07619	3.3
151.11191	5.0
155.08553	12.9
157.06551	4.5
157.10115	26.8
159.08109	8.1
159.11717	38.2
161.09676	6.9
161.13298	18.6
163.11208	5.4
163.14748	4.3
167.08459	5.5
169.02628	92.3
169.10152	16.5
171.08067	6.6
171.11687	15.5
173.09724	7.2
173.13295	22.1
175.11212	10.6
175.14842	8.6
177.09177	5.2
177.12758	4.4
177.16350	4.4
181.10081	5.5
183.10347	3.1
183.11668	14.9
185.09750	6.0
185.13254	16.5
187.11208	6.1
187.14851	13.8
189.12747	5.9
189.16473	4.0
191.14497	3.6
195.11725	6.2
197.13295	12.1
199.11214	5.4
199.14769	14.9
201.12776	8.1
201.16443	5.8
203.14346	4.2
205.12216	3.1
209.13326	4.2
211.11053	3.5
211.14815	7.2
213.12724	3.2
213.16446	7.3
215.14371	5.3
215.18011	4.3
217.12373	3.4
221.13399	4.4
223.14897	5.7
225.16408	4.8
229.15849	3.1
231.13808	3.5
233.15508	3.8
237.22185	6.0
239.14410	3.4
239.17982	3.7
241.19595	3.6
255.21161	3.5
259.20612	4.6
267.17538	3.8
269.19180	3.7
271.20493	4.5
273.22238	9.1
277.21677	4.2
285.22137	6.6
287.23590	3.7
289.21591	11.6
291.23346	6.2
291.26099	3.0
293.07251	5.4
297.21988	5.0
301.21646	3.9
303.23309	8.1
309.22079	3.9
313.21613	4.6
315.23129	13.6
319.22769	5.7
323.23770	4.6
327.23172	9.3
331.22543	6.3
341.24783	10.2
345.24323	10.5
351.23193	14.3
357.24182	3.4
369.24265	35.8
370.24564	5.5
375.16220	5.2
383.64975	3.5
387.25320	41.8
388.25824	3.8
390.18457	3.4
405.20642	18.4
405.26401	66.6
405.31485	22.5
405.35803	4.6
406.20306	2.9
406.26831	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	405.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20132	4.0
53.03952	8.1
54.20454	3.4
54.91195	3.8
55.05513	25.9
57.07073	10.7
65.03956	4.5
66.98292	3.8
67.05512	37.7
69.03433	5.2
69.07067	28.8
69.07877	3.6
69.08181	38.7
71.04970	3.7
79.05494	49.9
81.03416	8.3
81.07053	76.3
83.04981	8.5
83.08625	13.4
85.06518	12.4
91.05481	57.1
93.07045	54.4
95.04976	20.0
95.08615	63.0
96.08910	4.9
97.06508	5.1
97.10171	5.7
98.22524	8.0
105.07033	100.0
107.08600	64.2
109.06516	9.8
109.10152	35.8
111.08087	18.5
113.00056	9.9
115.05479	7.1
117.07023	24.0
119.07788	4.7
119.08593	79.6
121.06506	12.6
121.10140	46.8
122.20353	4.1
123.08063	12.3
123.11694	17.8
128.06233	10.6
128.14661	4.6
129.07018	19.4
130.07750	6.6
131.08578	57.5
133.10132	85.0
135.08060	10.4
135.11699	38.6
137.09683	4.4
137.13255	8.4
139.07545	38.7
141.06982	13.4
142.07782	19.7
143.08565	39.0
144.09328	8.2
145.06516	6.4
145.10129	79.0
147.08092	8.2
147.11684	21.4
147.52641	3.5
149.09612	5.7
149.13232	10.7
151.11224	5.4
153.09067	7.6
155.08536	16.4
156.09407	18.6
157.10138	52.4
158.10899	7.1
159.08109	7.6
159.11687	44.6
161.09598	12.5
161.13222	16.2
163.11217	5.2
163.14914	4.1
165.07024	5.7
165.09161	5.3
167.08578	6.4
168.09302	8.0
169.02557	12.8
169.10129	27.3
170.10892	5.5
171.11681	37.7
173.09645	10.1
173.13234	41.3
175.11186	7.2
175.14781	19.8
179.08623	7.2
179.10625	6.1
179.14323	18.0
181.10109	15.6
182.10843	6.5
183.11717	22.8
185.09587	5.2
185.13289	22.5
187.11176	6.2
187.14818	33.0
189.16341	6.5
193.10138	11.7
194.10849	8.5
195.11682	17.1
197.13287	21.2
199.11220	5.9
199.14844	24.2
201.16397	6.9
205.12202	6.1
206.10902	9.6
207.11707	14.0
209.13251	17.7
211.11171	4.3
211.14748	14.6
213.12666	4.4
213.16376	12.1
219.11815	5.1
220.12573	7.0
221.13222	13.6
222.13947	4.7
223.11235	6.0
223.14726	11.5
225.16467	7.0
227.18002	5.9
233.13173	8.0
235.14760	9.0
237.16347	5.7
238.16949	4.5
239.14259	5.9
239.17920	11.6
243.17526	4.5
251.18083	7.7
253.19460	7.0
267.17499	11.1
269.18909	5.1
277.19376	8.8
279.20773	4.9
281.22647	29.0
294.03534	4.5
299.23724	4.4
309.22238	4.4
387.30173	6.4
405.27182	41.0
405.31494	74.2
406.31732	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	405.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01884	1.4
55.05516	10.5
57.07083	2.7
57.08849	1.4
65.03908	1.2
67.05508	10.9
67.45931	1.3
69.03429	1.7
69.07066	11.5
71.30972	2.2
79.05486	9.7
81.07062	19.4
83.05004	3.0
83.08618	5.2
85.02916	2.1
90.71681	1.3
91.05479	13.3
93.07051	17.3
95.08609	33.9
97.06536	2.6
97.10158	3.1
103.05424	1.6
105.07034	24.0
107.08598	25.8
109.06488	2.3
109.10155	18.8
111.08083	1.5
115.05425	1.6
116.06203	1.3
117.07014	5.2
119.08583	42.8
120.08895	1.8
121.10157	23.3
122.10463	1.3
123.08112	3.3
123.11701	8.3
128.06213	5.3
129.07037	5.7
130.07845	1.9
131.08572	34.9
132.08893	1.5
133.10133	23.5
135.08058	10.3
135.11703	12.5
137.05994	2.2
137.09627	4.4
137.13271	4.9
139.11139	1.6
141.06989	4.3
142.07796	10.5
143.08566	29.9
144.09296	3.8
145.10129	62.0
146.10478	3.2
147.08052	2.7
147.11697	15.1
149.09651	3.0
149.13306	5.7
151.11215	3.0
151.14857	2.0
153.06862	1.6
155.08548	11.7
156.09352	18.8
157.10135	44.1
158.10793	5.5
159.08057	2.0
159.11711	41.6
160.12152	2.2
161.09584	2.6
161.13272	13.1
163.11218	2.7
163.14810	6.5
165.12801	1.6
167.07077	2.8
167.08543	2.2
168.07527	1.3
168.09348	3.6
169.10155	11.4
170.10915	31.0
171.11694	35.7
172.12439	6.4
173.13275	24.4
174.13873	2.3
175.11192	16.6
175.14783	10.1
177.12848	2.0
177.16431	8.3
179.08586	1.7
181.10126	5.3
182.10925	3.1
183.11710	48.8
184.12334	4.0
185.13271	84.4
186.13657	5.1
187.14821	65.5
188.15190	2.9
189.12834	2.7
189.16365	15.9
190.13530	34.1
191.14053	4.4
191.17973	4.2
193.15904	3.6
195.11638	6.2
196.12421	2.8
197.13263	9.7
199.14822	66.7
200.15227	4.7
201.12750	2.4
201.16393	59.2
202.16692	4.5
203.14275	7.8
203.18103	1.9
205.15887	38.4
206.16254	2.2
207.11789	3.0
207.17456	4.1
209.13281	6.4
211.14851	10.5
213.16377	12.6
215.14391	3.4
215.18001	5.9
217.15874	5.6
217.19545	3.0
221.13335	1.8
223.14833	5.9
225.16417	7.2
227.17975	6.5
231.17468	3.6
233.19043	5.1
235.14906	2.1
237.16464	4.5
239.17982	4.4
241.19559	5.3
249.16466	3.5
251.17964	6.2
253.19594	6.8
263.17911	2.5
265.19537	3.0
267.21088	2.6
277.19577	2.3
293.22641	1.9
303.21179	1.6
311.23590	2.0
319.24619	1.2
331.24243	2.6
335.23752	1.6
347.17117	1.5
347.27386	2.4
349.25339	1.6
363.27029	1.6
387.30438	11.2
388.31003	1.4
405.31525	100.0
406.31720	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	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.9
55.01875	13.5
57.03441	6.5
60.04536	3.0
61.02933	6.7
67.05518	2.4
68.99807	6.0
69.03431	34.1
69.26019	12.3
70.06606	8.4
71.04994	5.5
72.08163	2.1
73.02917	9.6
75.59310	2.0
81.03423	36.2
83.01360	2.4
84.08141	4.7
85.02908	100.0
86.09740	2.6
87.00834	42.3
91.03980	3.3
97.02902	37.2
99.04462	17.1
103.03950	4.5
105.01875	30.2
108.04498	8.6
109.02886	46.9
110.07167	2.3
117.01868	6.4
126.05544	5.2
127.03926	77.9
129.01871	7.0
133.02882	4.4
141.05473	7.7
143.30482	1.6
145.04971	44.9
147.02927	7.0
147.04408	4.7
150.59439	1.7
151.03957	3.1
154.08797	2.5
159.02914	28.4
160.28970	1.7
165.05447	15.7
171.02914	2.3
177.05452	3.8
183.06540	2.5
183.83229	2.1
189.03969	9.9
191.07082	2.2
203.07016	2.5
207.06543	13.0
213.03984	4.3
230.06610	4.3
231.04727	11.1
231.06926	3.5
248.07614	2.8
249.07678	10.4
299.09506	1.8
406.10754	2.5
406.21765	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	406.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05516	2.0
56.05037	7.2
57.03437	4.4
58.99588	13.5
61.01137	1.1
68.50499	0.8
69.07066	2.1
70.02943	1.0
70.06596	0.8
70.48351	1.0
70.48687	1.5
70.58868	0.7
73.01133	0.8
74.00657	1.8
76.02232	21.3
76.03992	1.9
79.05491	4.0
80.05025	1.3
81.06579	1.2
81.07057	17.9
83.06091	2.3
83.08621	0.9
84.04508	27.5
84.08128	2.2
85.01122	3.3
85.02886	1.3
86.00651	6.1
86.09689	2.2
86.99052	7.7
87.02692	7.1
88.02218	2.7
88.98073	0.7
93.01579	0.7
93.07084	0.9
94.06573	1.0
95.08598	2.7
96.08121	1.6
97.01117	1.8
97.02901	1.2
97.06525	3.3
98.09693	11.3
99.05550	1.0
99.08094	5.3
100.63482	0.7
102.05531	4.4
105.07020	1.7
107.08582	1.0
110.07159	1.6
110.09677	2.2
111.02660	1.0
112.03970	3.5
113.04234	7.3
114.03734	0.9
115.05795	1.9
116.01672	22.7
117.01997	0.7
118.60373	0.7
122.09642	1.9
123.08086	0.9
123.10477	0.9
127.05762	1.1
129.06578	3.1
129.10240	1.4
130.05000	8.2
130.06859	5.3
130.08624	1.6
131.08559	1.0
139.05737	1.7
142.03226	2.1
143.02754	1.2
144.01135	10.5
145.06027	1.6
156.08424	21.5
156.10193	10.4
157.06827	8.4
162.02203	22.4
167.07083	1.2
174.09480	14.3
179.04828	8.5
189.03282	0.8
209.11763	1.3
210.11244	2.2
215.05080	1.0
216.06842	6.6
233.05890	3.2
242.08452	1.6
245.06068	1.3
259.11124	100.0
260.11664	4.3
269.29788	0.7
277.12027	0.9
285.12708	1.5
313.12070	3.2
331.13022	6.6
331.16360	0.8
388.15475	1.6
406.16333	2.7
407.12961	3.8
412.18988	0.8
418.04706	0.8
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
50.66093	4.6
55.01865	5.0
55.05495	4.6
57.03446	8.7
58.99585	4.0
61.01326	4.9
67.05507	12.1
71.04984	12.0
73.61739	5.0
76.02241	9.1
79.05497	14.9
81.07059	16.1
82.15974	4.5
84.04507	10.9
84.08145	6.3
85.02908	21.3
85.06552	69.9
86.09705	7.3
86.24511	5.3
89.18559	5.1
91.05481	14.4
93.07036	11.0
95.04907	5.2
97.02894	4.5
97.06493	5.3
105.07057	13.8
107.04939	8.2
107.08602	15.9
111.04412	7.8
114.90393	5.0
116.01637	14.2
119.08587	11.6
121.06523	7.3
121.10139	14.0
125.06042	5.0
129.10277	4.9
131.08603	36.1
145.10117	19.9
146.50247	5.1
149.09604	42.4
155.06897	5.4
156.08435	7.7
157.06844	5.6
160.51073	5.1
162.02229	9.2
163.11189	11.6
165.09195	6.9
167.10696	20.4
174.09448	10.0
179.04773	5.7
181.05132	5.2
191.10660	41.7
209.11742	76.4
227.12758	100.0
259.11029	36.9
287.15305	5.4
320.26559	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10406	12.0
55.05510	18.5
55.83470	13.2
64.36602	13.6
67.05505	31.0
69.03425	18.2
69.07056	14.0
69.29949	88.3
71.04989	28.1
74.81024	11.7
79.05494	33.1
81.07067	31.2
83.04984	15.5
84.08144	42.4
85.02898	51.2
85.06542	71.0
86.09703	26.6
88.07076	12.6
91.05454	33.1
93.07042	44.5
95.04928	16.4
95.08628	20.5
95.28649	12.6
97.06526	20.4
98.23370	24.5
101.20827	16.1
105.07032	31.9
107.08594	36.6
119.08580	15.6
121.10136	82.1
123.04391	14.2
123.08091	18.9
123.11720	75.1
125.05964	16.8
129.10251	21.9
131.08559	64.4
133.10126	30.6
137.05986	16.2
145.10129	32.8
147.11732	16.0
149.09636	71.0
151.11232	24.6
163.11259	21.7
167.10657	93.4
173.13315	17.6
191.10715	56.1
191.14259	26.5
197.16409	15.0
200.20837	13.4
209.11736	69.5
209.15332	22.3
227.12813	100.0
227.16411	92.9
244.09506	32.8
287.20404	13.4
298.68298	12.9
382.04071	14.1
390.55875	17.6
406.18875	25.2
407.13467	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01877	7.7
55.05519	2.1
57.03428	4.8
61.02928	7.0
61.12679	0.9
66.63038	1.1
67.05511	6.3
68.99795	3.6
69.03434	30.4
69.07068	1.8
69.79423	3.8
69.79813	1.7
71.04996	6.5
71.08679	1.0
73.02917	6.7
79.05510	3.0
81.02979	1.9
81.03423	24.9
81.07075	9.3
83.05001	1.9
84.95443	0.9
85.02911	100.0
86.03233	1.2
87.00835	36.0
91.03948	2.4
91.05478	2.7
93.07067	4.9
95.08605	4.2
97.02898	28.5
98.22681	1.3
99.04460	13.0
103.03927	1.2
105.01870	49.4
105.07033	3.9
107.08601	2.8
108.04476	4.1
109.02884	29.9
115.03928	1.9
117.01875	3.4
117.07028	2.1
119.08604	3.2
121.10133	2.0
123.08004	1.2
123.11714	2.1
126.05531	2.1
127.03928	64.6
128.04234	1.6
129.01831	3.8
129.07051	1.7
131.08574	1.5
133.10139	1.6
135.08109	1.0
135.11664	1.6
137.05997	1.9
138.06409	1.0
145.04968	27.6
145.10162	1.8
147.02873	2.1
147.11752	1.1
157.10196	1.2
159.02890	16.5
161.06044	1.2
161.09674	1.2
161.13252	1.2
163.11180	1.6
179.23985	0.9
181.12257	1.0
187.14850	1.4
189.03954	3.0
213.03993	2.3
231.05028	14.9
231.13808	1.8
248.00269	1.1
249.06148	2.3
249.14958	1.7
335.15021	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60580	9.8
52.87311	10.1
55.05508	32.0
63.97980	11.1
65.22994	9.3
67.05518	13.5
69.02751	98.8
69.03427	28.2
70.06569	16.5
71.04999	11.7
79.05505	11.9
81.03443	11.6
81.07051	39.0
83.04978	26.0
83.08617	17.1
84.04472	9.7
85.02913	59.3
86.09712	14.9
91.05499	25.2
93.07043	29.9
95.04992	22.6
95.08604	18.9
96.05415	10.4
97.02905	16.1
97.06537	20.4
98.22643	26.8
98.97629	13.2
105.07049	31.9
107.08575	30.0
109.06537	34.4
109.10122	31.7
111.08084	11.8
119.08611	27.2
121.10147	46.5
123.11634	12.4
125.09625	12.0
131.08582	31.9
133.10143	54.9
135.07979	15.3
145.10159	15.8
147.11688	28.9
149.13393	15.9
151.11131	19.4
153.09038	18.0
163.14743	14.0
167.07082	23.7
167.14320	22.7
173.13222	44.1
175.14810	51.9
191.14328	36.2
193.15807	14.4
199.14977	12.1
203.13855	14.4
208.16965	10.5
209.15373	100.0
226.18135	20.9
264.03333	10.8
286.19455	10.4
355.84476	12.8
366.04077	11.1
388.23160	24.4
389.14359	12.4
401.11584	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.0
55.05521	4.2
57.03441	6.6
59.02854	3.7
60.04530	100.0
62.40716	4.3
67.05521	5.0
69.03082	34.5
69.03413	10.1
69.07072	8.5
70.06590	13.1
72.04510	5.7
73.02895	5.1
79.05495	8.6
81.03407	7.2
81.07053	10.0
84.04532	5.6
84.08169	7.5
85.02914	28.0
85.06572	5.6
86.09712	16.8
90.05573	17.4
91.05491	11.4
93.07056	14.2
94.06590	6.7
95.04952	18.1
97.02927	6.7
97.06557	13.0
99.04455	4.6
105.07066	18.0
107.04961	4.5
107.08620	17.3
109.06531	19.9
109.10134	6.8
110.07097	5.6
119.04970	4.9
119.08594	13.1
120.08134	15.6
121.10167	26.6
122.06050	10.5
123.08128	6.4
127.03921	9.0
128.57242	4.3
130.04958	5.3
131.08582	13.6
133.10127	47.0
135.08054	4.4
136.07622	4.9
137.05992	5.9
137.09613	5.2
143.63281	4.1
145.05037	6.6
147.11723	16.9
149.06013	5.1
153.09082	4.8
163.07658	5.4
165.12906	4.2
167.07117	8.2
173.13277	21.6
182.08124	4.9
191.14345	42.5
207.06642	5.7
209.08174	9.6
209.15379	39.4
218.08250	4.6
227.16409	31.3
229.05220	4.0
244.06537	4.4
244.09779	5.1
285.07800	5.0
406.14935	33.6
406.20923	9.1
407.14395	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	407.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.9
65.05302	1.8
69.09142	16.3
70.06584	10.0
72.08161	6.2
73.58703	1.9
84.04479	2.2
84.08156	7.1
86.09709	5.1
91.05475	2.6
98.97588	8.1
100.59873	1.6
104.19602	1.7
107.05006	2.1
116.98593	2.8
120.08116	6.5
123.04488	2.7
128.98590	2.7
129.10291	3.4
137.05984	4.2
142.41873	1.9
147.07642	2.4
148.64076	2.0
159.09172	2.1
163.03816	1.8
167.07039	29.2
177.50569	1.8
186.58269	1.7
191.58510	2.1
211.07706	2.2
211.09637	4.7
229.10585	1.8
237.00668	2.0
237.02913	3.5
245.04568	2.2
254.30920	1.7
293.09122	8.6
311.10123	3.8
317.86627	1.9
318.10922	4.6
321.84094	2.2
332.12540	6.5
382.85443	2.5
401.50372	1.9
407.13138	100.0
408.13492	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1701
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03947	2.3
54.04723	0.9
55.01876	20.7
60.04532	1.4
65.03937	7.7
66.10789	0.9
67.05505	3.8
69.03437	1.1
70.06603	1.3
71.04997	2.6
79.05492	4.5
80.23407	0.9
81.03422	2.0
81.07064	1.3
82.04204	2.2
84.08140	5.4
85.02902	5.7
86.09716	5.0
91.05495	4.0
93.03431	2.4
93.07014	1.0
94.04200	2.0
95.04984	4.7
97.06562	1.3
103.05469	10.1
105.07050	2.9
107.04957	6.4
108.02106	2.5
110.03667	4.5
111.04427	2.2
115.05438	2.2
117.07031	2.7
120.08132	3.3
121.06522	2.9
122.03680	3.6
123.04459	3.7
124.05255	2.3
125.06007	2.9
126.38821	0.9
128.06236	1.3
129.06998	9.6
129.10295	4.4
131.04916	12.7
131.08586	2.6
133.06485	3.0
134.03691	1.3
137.05980	35.9
138.03149	1.3
139.27165	0.9
140.04675	1.3
142.02634	3.6
143.08546	0.9
145.06479	5.3
147.08203	0.9
149.06032	6.2
151.03943	1.5
151.07596	2.6
153.05504	4.2
155.07059	2.2
157.06500	9.2
159.08040	1.4
160.05243	3.1
161.06015	3.7
161.09686	0.9
163.04057	1.0
163.07524	6.9
165.05525	0.9
167.07056	23.7
168.07370	1.2
171.06540	4.1
173.06088	1.8
174.06796	4.2
175.07556	14.6
176.07954	1.0
177.05482	22.4
177.09149	2.7
179.07056	1.6
181.04961	100.0
182.05312	3.5
183.06554	1.9
185.06023	1.8
187.07529	1.2
189.09102	12.6
191.06996	1.8
193.08601	7.6
205.08623	5.6
207.10182	1.2
209.08087	31.1
211.13300	1.7
217.08612	7.5
221.08051	1.7
234.06883	1.0
235.09630	16.1
240.56047	1.1
249.09198	1.8
261.09201	1.0
281.90115	1.0
309.11249	1.9
311.12744	0.9
321.11249	1.7
339.12228	1.9
341.13901	2.1
359.15033	2.1
371.14801	8.9
389.15945	32.0
390.16281	2.0
407.17746	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73960	2.9
53.03939	7.1
55.01868	16.3
55.05286	3.5
55.05508	16.2
56.08021	3.3
61.02916	4.9
67.05504	25.7
69.03431	9.3
69.07069	31.5
71.05000	18.4
71.05339	2.9
71.30799	5.1
73.02917	11.7
79.05488	28.8
81.03436	4.5
81.07056	74.6
81.96249	2.9
83.04985	31.1
83.08611	10.5
85.02908	4.4
85.06562	12.0
87.00807	3.8
91.05490	24.7
93.07041	87.4
95.04971	30.3
95.08607	62.5
97.06529	49.8
99.04475	25.3
101.02379	12.8
105.07024	64.2
107.04962	10.0
107.08589	41.3
109.06524	41.5
109.10161	10.7
111.08073	48.7
113.06013	8.4
115.07629	4.5
117.07054	4.6
119.03443	4.8
119.04878	3.6
119.08582	30.0
120.08089	3.9
121.06498	79.4
121.10153	9.4
122.06851	5.1
123.04415	7.2
123.08070	10.1
123.11707	22.7
125.05986	20.9
127.07545	8.8
128.06178	3.7
129.06979	6.7
131.08594	12.2
133.10135	30.4
135.08005	21.7
136.07539	6.2
137.05981	7.3
137.13329	5.0
139.07544	39.6
142.07808	4.0
143.07066	11.8
143.08568	7.8
145.10144	13.8
147.08066	5.6
147.11688	74.8
149.09610	4.5
149.13249	7.2
151.07529	3.6
151.11191	14.3
157.08636	10.1
157.10147	20.0
159.06567	12.8
161.04446	77.3
161.05806	4.9
161.13289	14.0
163.14838	6.7
164.07079	5.5
165.12752	32.0
169.12251	63.5
169.13620	5.9
170.12468	3.9
171.11673	17.6
173.09592	3.8
173.13298	4.5
175.11191	58.5
181.10207	4.8
189.12749	29.8
191.10681	3.8
191.14372	3.4
193.12234	71.6
194.12547	4.0
195.83612	2.8
196.21651	3.1
199.11209	23.9
202.08611	4.4
207.13893	14.4
211.13281	100.0
212.13687	5.0
217.12245	82.1
218.12598	3.4
225.14816	3.9
229.14357	56.3
230.14764	3.4
235.13283	88.3
236.13710	9.4
243.08807	5.5
253.14346	62.6
259.08182	4.3
311.14911	9.1
325.16650	6.2
327.44296	3.6
353.15945	35.0
371.17059	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2408
Annotation	Bakkenolide H
Peak:m/z	Relative Intensity
55.05505	1.6
57.07074	1.7
67.05505	1.6
69.03439	1.4
69.07066	1.6
69.62447	3.2
70.06587	3.0
72.08134	1.0
79.05499	2.0
81.07051	2.2
84.08157	1.3
88.07610	2.1
89.06036	1.0
91.05473	2.3
93.07032	3.0
93.54823	0.7
95.04968	2.5
95.08599	2.4
97.06526	1.0
98.23351	0.8
105.07039	3.6
107.08595	2.1
109.06504	1.4
109.10149	1.3
114.09217	1.3
117.07006	0.7
119.08598	2.4
121.10159	3.4
123.08037	1.0
131.08598	2.5
132.10191	3.2
133.10089	1.6
135.08049	0.9
142.07719	0.7
143.08606	2.0
145.10130	2.1
156.09244	0.7
157.10153	2.1
159.11699	1.9
167.10715	1.0
169.10130	1.2
170.10814	0.8
171.11668	1.2
173.09572	1.0
176.12903	0.8
183.11713	1.0
187.14896	0.8
209.13377	0.7
213.12759	0.8
215.14259	0.9
233.15334	1.7
273.16068	0.7
282.82278	0.7
299.14719	1.1
321.16782	1.5
329.21332	0.8
389.24374	1.0
406.35242	4.0
407.24045	100.0
407.35489	19.4
408.24213	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	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41224	0.4
54.12676	0.4
55.05500	1.0
57.03442	4.5
57.07084	6.4
67.05515	1.6
69.07072	1.3
71.08639	5.0
81.07063	3.6
83.08626	1.2
85.10192	1.6
89.06045	0.5
92.70256	0.5
93.07042	0.8
95.08601	4.2
97.10154	0.8
105.07033	0.6
109.10196	2.0
113.00024	86.3
119.08618	0.7
121.10146	0.5
123.11739	1.0
131.01109	0.8
133.06259	0.4
139.01582	0.7
159.11766	0.6
169.02625	100.0
170.02982	1.8
192.45470	0.4
239.23695	0.8
374.71686	0.5
383.94318	0.4
407.22061	1.2
407.33005	1.2
417.17969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
57.03435	4.7
57.07074	7.8
67.05500	3.6
69.07069	3.1
71.05008	0.4
71.08634	4.9
71.39158	0.2
79.05477	1.0
81.07060	5.1
83.08616	2.8
85.10184	2.2
86.90822	0.3
89.06031	0.8
91.05473	0.9
93.07045	2.5
95.08606	7.8
97.10175	0.8
98.22617	0.6
104.15868	0.2
105.07030	2.2
107.08597	2.7
109.10159	3.7
111.08095	0.3
111.11711	0.6
113.00015	100.0
114.00348	0.3
117.07018	0.4
119.08582	3.1
119.54878	0.3
121.10137	2.0
123.08070	0.4
123.11715	2.0
131.01045	0.6
131.08559	1.2
133.10132	1.9
135.08043	0.3
135.11700	1.1
137.09615	0.3
137.13216	0.8
143.08501	0.4
145.10124	1.9
147.11696	1.2
149.13261	0.9
151.01497	0.5
154.02660	0.5
157.10121	0.8
159.11676	2.2
161.13257	1.1
169.02611	97.1
170.02948	1.9
171.11690	0.8
173.13261	1.2
175.14767	0.6
183.11725	0.5
185.13177	0.7
187.14835	1.3
189.16426	1.6
191.17950	1.1
195.12271	0.9
197.13298	0.3
199.14838	0.6
201.12820	0.3
201.16397	2.2
203.14392	0.3
203.18011	0.6
207.17413	0.3
211.14828	0.5
213.16423	0.5
215.17969	0.6
217.15758	0.7
217.19456	0.5
219.17525	0.4
223.14867	0.3
239.23651	1.0
243.21089	0.3
269.18942	0.6
269.22632	0.5
325.21268	0.4
389.31931	1.1
407.33078	6.4
407.37714	0.6
408.33545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03941	3.7
55.05515	18.5
57.03453	2.6
57.07067	8.7
65.03944	2.6
66.81585	2.1
67.05511	29.0
69.07069	59.7
70.07402	2.1
71.08632	6.3
79.05501	12.7
81.07059	100.0
83.08627	20.3
89.06035	5.2
91.05466	13.6
93.07050	34.2
95.08606	83.6
96.08948	3.7
97.06542	2.1
97.10201	11.4
98.23363	3.9
105.07036	35.4
107.07952	3.7
107.08599	45.2
109.06524	3.2
109.10162	65.3
111.11698	8.2
113.00027	11.9
117.07005	6.2
119.07774	3.5
119.08583	51.2
120.30318	2.0
121.10150	34.8
123.11713	26.8
124.12005	2.1
131.08569	15.7
133.08597	2.8
133.10130	28.8
135.11697	24.9
137.13271	19.3
140.84782	2.1
142.07776	4.1
143.08553	9.2
144.09410	2.6
145.10109	27.2
147.11682	22.0
149.13257	14.4
151.14812	2.4
152.91179	2.3
155.08559	2.2
157.10162	18.3
159.11705	35.0
161.13254	20.9
163.14798	11.0
169.02570	15.0
169.10165	5.8
171.11693	16.0
173.13248	19.9
175.14842	18.2
177.16443	6.9
183.11742	7.4
185.13269	12.9
187.14839	18.5
189.16310	14.8
191.17966	10.3
195.12036	2.5
197.13269	4.4
199.14819	8.1
201.12764	3.0
201.16431	16.5
203.17966	10.2
205.19597	3.6
211.14833	4.5
213.16411	9.4
215.17851	10.5
217.19507	7.0
225.16396	5.9
227.17957	10.5
229.19563	12.7
231.21021	4.6
239.18095	4.2
241.19510	5.9
243.21182	5.9
255.21101	9.8
257.22681	8.6
267.20926	3.6
269.18994	2.8
269.22662	8.4
271.24268	3.2
281.22540	3.3
283.24231	8.3
285.26248	2.3
295.24100	2.5
297.22385	2.4
297.25867	6.6
304.20166	2.4
312.66327	2.4
323.27505	2.6
325.28821	6.5
337.29129	3.5
342.45514	2.5
351.30435	4.4
365.31912	2.9
389.32111	4.9
407.22052	3.9
407.32825	21.1
407.37244	86.1
408.37656	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	407.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05510	9.6
57.07066	4.3
57.93823	0.9
63.46080	0.8
65.03947	1.8
67.05508	18.8
69.07070	26.6
71.08636	2.5
73.81387	1.1
79.05505	9.0
81.07059	41.5
83.08625	9.0
89.06030	1.1
91.05482	11.7
93.07050	19.6
93.36742	0.9
95.08610	73.4
96.04944	1.0
96.08948	1.9
97.10175	5.9
98.23397	1.4
105.07033	26.3
106.07381	1.4
107.08596	37.4
108.08953	1.2
109.10159	53.5
110.10515	0.9
111.11716	5.2
117.07029	2.9
119.08582	39.7
120.08904	2.5
121.10144	32.9
123.11716	20.8
129.06984	1.1
131.07735	1.0
131.08551	6.4
133.10127	25.0
135.11694	17.8
137.13248	11.7
138.46899	1.0
143.08598	2.1
144.09348	1.5
145.10124	15.0
147.11691	24.6
149.13261	13.7
151.14839	3.0
157.10146	3.3
158.10924	0.9
159.11708	21.0
160.12317	1.4
161.13263	17.4
161.14563	1.2
162.13675	1.0
163.14822	8.3
171.11667	5.0
172.12335	1.2
173.13264	11.1
175.14827	12.7
177.16388	11.4
179.17993	1.7
185.13286	4.3
187.14835	10.6
189.16382	23.3
190.16742	1.2
191.17926	13.5
199.14847	3.7
200.15195	1.0
201.16408	10.0
203.17952	19.9
205.19592	7.2
211.14642	0.9
213.16443	3.4
215.17960	13.4
217.19524	11.8
218.19814	1.2
219.21126	1.0
227.17969	2.8
229.19530	7.2
231.21107	4.1
241.19594	4.6
243.21060	6.3
245.22647	7.3
255.21062	8.0
256.21713	1.1
257.22693	3.6
269.22577	7.8
271.24078	2.4
281.22629	1.3
283.24237	2.7
285.25714	1.3
295.23996	1.7
297.25751	3.6
309.25668	1.4
311.27377	3.3
323.27405	3.7
337.28851	2.7
351.30475	1.9
364.31216	1.5
365.32068	2.2
407.36728	100.0
408.37030	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.65403	1.9
55.05519	14.3
57.07063	6.4
59.55726	2.1
64.16988	2.0
65.03937	2.3
67.05514	23.6
69.07069	36.2
70.56783	5.6
74.69984	2.3
79.05508	11.1
81.07065	64.6
83.08630	13.5
89.06029	2.2
91.05490	10.4
93.07057	29.8
95.08611	100.0
95.59905	2.4
97.10166	8.0
105.07036	29.3
107.08602	44.9
109.10162	66.3
110.10535	2.6
111.11732	7.5
113.83920	1.9
117.07024	2.8
117.21561	1.9
119.08582	48.2
121.10146	40.7
123.11712	31.3
131.08585	12.2
133.10133	41.8
135.11697	24.1
137.13269	14.5
143.08586	5.5
145.10120	23.0
147.11694	30.7
149.13271	19.2
151.14760	3.6
157.10141	7.9
159.11697	24.9
161.13266	18.2
163.14850	6.7
171.11716	8.7
173.13264	16.9
175.14825	12.0
177.16350	10.4
183.11775	3.3
185.13283	7.7
187.14861	13.8
189.16362	18.5
191.17998	9.5
199.14845	5.8
201.16415	14.0
203.17963	27.5
205.04463	2.1
205.19540	6.8
213.16426	8.6
215.17892	11.8
217.19572	8.8
227.17964	3.6
229.19440	5.1
241.19368	3.6
243.21158	9.5
255.21127	6.8
257.22614	4.1
269.22693	17.1
271.24176	2.8
283.24423	2.8
300.14734	2.5
309.25674	2.9
311.27292	6.0
365.32068	3.3
367.40424	2.4
407.36740	90.6
408.36990	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.42774	1.5
55.05275	1.7
55.05511	9.9
57.07072	5.6
67.05511	19.8
69.07069	24.5
69.16012	8.3
69.16418	2.4
71.08652	2.5
79.05504	10.3
81.07061	46.0
83.08643	9.4
86.65289	1.6
87.28664	1.3
91.05471	9.0
93.07055	21.7
93.37676	1.7
95.04979	2.0
95.08613	73.9
97.10181	6.3
105.07032	29.3
107.08598	39.8
109.10162	44.6
110.10487	1.6
111.11745	2.3
117.07037	3.0
119.08587	39.2
121.10147	29.6
122.10445	2.3
123.08062	1.6
123.11710	20.3
128.40146	1.6
129.07047	1.7
131.08575	10.1
133.10144	26.4
135.11711	23.2
137.13264	13.9
142.07750	1.8
143.08611	7.1
145.10129	22.3
147.11676	21.2
149.13275	23.3
151.14824	2.7
157.10135	8.5
158.10980	1.6
159.11716	27.6
161.13255	24.3
163.14850	14.3
170.79871	1.4
171.11690	5.8
173.13268	14.9
175.14870	13.6
177.16357	10.1
183.11696	4.2
183.84291	1.7
185.13272	5.4
187.14803	12.9
189.16415	22.0
191.17940	18.3
197.13373	2.0
199.14848	8.0
201.16408	20.0
203.17946	19.2
203.19635	1.8
205.19522	3.5
213.16415	6.6
215.17978	26.5
217.19505	15.3
227.18027	4.9
229.19563	10.0
231.21127	5.0
241.19534	4.6
243.21121	5.9
245.22627	2.8
255.21088	9.8
257.22653	19.2
259.24258	2.1
269.22662	10.0
271.24313	3.0
283.24088	3.7
285.25778	1.9
286.53387	1.8
290.48041	1.5
297.25916	3.3
323.27304	2.2
337.28894	3.5
351.30453	2.6
365.31924	1.8
407.36768	100.0
408.32675	1.7
408.37244	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	407.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80598	2.7
53.03948	3.6
54.04487	2.4
55.05510	24.2
57.07077	16.8
59.45094	2.3
62.34940	2.4
67.05505	32.3
69.07069	61.4
71.08634	3.9
79.05493	19.9
81.07058	100.0
83.08629	22.7
85.06537	3.7
85.10173	2.6
89.06039	7.8
91.05486	13.7
93.07039	40.4
95.05013	4.2
95.08607	77.6
97.10172	11.6
101.64298	2.7
105.07021	29.5
106.10799	2.3
107.08594	52.3
109.10156	62.0
110.21563	2.4
111.11721	6.0
113.00024	11.1
117.07035	4.9
119.08578	37.1
121.10147	43.2
123.11702	25.4
124.12117	2.7
129.07036	5.1
130.07788	2.8
131.08545	18.9
133.10118	30.8
135.11687	28.7
137.13254	16.6
141.10226	3.1
142.07767	5.0
143.08565	10.8
145.10139	26.1
146.64917	2.7
147.11684	28.6
149.13255	19.6
151.14897	3.3
155.08575	4.9
157.10100	17.6
159.11696	35.0
161.13252	21.7
163.14832	7.0
169.02644	11.5
169.10158	4.1
171.11705	17.3
173.13255	24.8
175.14822	20.6
177.16386	7.2
183.11688	7.4
185.13239	18.1
187.14848	14.5
188.15149	2.4
189.16414	12.6
191.17943	5.2
197.13268	6.4
199.14809	13.9
201.16322	15.8
202.20580	2.4
203.17979	14.8
208.62889	2.2
211.14859	9.1
213.16434	13.8
215.17937	16.5
217.19534	8.3
225.16484	2.5
227.17934	13.5
229.19527	13.6
231.21202	3.8
241.19484	6.9
243.21062	5.6
255.21121	7.0
269.22690	7.4
281.22607	4.6
283.24240	4.0
295.24371	4.4
297.25671	5.6
323.27509	5.7
324.27667	3.1
325.28915	7.4
337.28699	3.3
407.22107	9.8
407.32779	26.5
407.37347	75.2
408.32458	3.5
408.37070	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35158	5.9
73.42053	3.0
78.73548	2.7
85.02919	4.8
91.05492	7.5
93.07040	5.8
95.04986	3.1
103.05477	6.8
107.05003	5.1
121.06508	11.1
123.04438	6.8
126.77135	2.6
133.06512	6.6
134.48146	2.8
137.05988	10.9
149.05992	30.5
161.05997	7.2
163.07494	3.3
166.06320	8.5
167.07054	94.4
168.07472	3.9
181.08597	34.1
193.08533	3.3
211.09644	100.0
212.10020	6.4
257.03952	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95198	0.7
69.03432	1.4
69.43702	1.0
69.44109	3.6
70.06596	0.7
79.05509	1.1
81.03412	0.9
84.08150	1.1
85.02898	3.0
86.09701	2.8
91.05492	1.2
93.07040	1.1
95.05000	1.2
97.02892	1.0
98.22539	0.9
103.05473	0.7
105.07033	1.8
109.02847	0.7
109.06534	1.1
119.08571	1.3
121.06511	2.6
122.56948	0.7
123.04414	1.8
124.05256	0.7
136.07555	1.1
149.05956	1.3
161.05948	1.3
166.06245	0.7
167.07039	100.0
168.07344	4.7
175.11320	1.1
181.08531	2.0
187.11093	1.0
193.08589	3.0
211.09645	13.1
229.10632	7.2
238.37886	0.8
247.13283	1.7
372.71167	0.8
409.10913	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.2
56.96571	8.6
69.03416	2.3
70.06594	4.8
71.05018	2.3
71.30251	2.1
72.08171	2.7
81.03405	3.5
84.08147	7.0
85.02917	6.7
86.09721	6.4
91.05481	4.1
94.04181	2.1
95.04988	2.9
98.97583	23.3
107.04977	2.1
108.19799	2.0
109.06521	3.2
110.97565	2.2
116.98622	11.2
119.04961	3.7
120.08120	8.2
122.03651	3.1
127.03923	3.1
128.98625	2.6
129.10252	4.5
130.06567	2.7
130.96413	1.8
134.99664	3.2
136.07567	5.7
137.05984	100.0
138.06319	3.0
143.00171	2.0
145.05006	2.2
146.99655	3.4
147.04457	6.5
151.07559	4.0
158.99644	5.4
167.07025	17.8
169.84929	1.8
177.00740	6.0
179.07085	8.4
187.06516	2.3
205.07591	4.7
211.09653	85.7
211.11668	4.3
212.09978	4.0
219.01816	7.3
227.51511	2.0
229.07513	5.3
237.02774	12.1
247.08458	2.0
337.07996	2.2
348.10648	2.1
349.08057	2.9
349.11707	17.9
367.09106	5.6
408.16022	11.4
409.10834	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49432	0.8
69.32914	5.3
78.04717	0.9
81.07068	0.8
85.02910	2.6
91.31831	0.8
95.04979	0.8
97.02875	0.8
98.22609	1.7
107.04939	1.0
108.79781	0.7
118.31345	0.8
120.08065	1.4
121.06547	1.9
121.40024	0.8
123.04459	2.6
124.05171	0.9
124.73379	0.9
127.63797	0.7
136.07465	0.8
137.05968	1.9
149.06064	2.4
152.04626	1.0
161.06100	1.3
167.07048	100.0
168.07462	3.8
181.08617	2.3
193.08585	4.0
211.09660	13.2
229.10667	7.5
261.85840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01875	7.5
55.05511	3.1
57.03436	6.6
59.09509	1.1
61.02937	5.6
67.05511	1.9
68.99792	2.9
69.03434	39.8
69.07074	4.8
69.15181	7.7
71.01374	1.3
71.04998	6.0
73.02913	7.5
79.05495	2.2
81.03422	24.2
81.07057	2.9
81.27646	0.8
83.04994	1.5
83.08624	2.6
84.08143	1.0
85.02909	100.0
86.03226	1.4
87.00836	40.2
87.04436	0.9
91.03965	1.8
91.05481	1.1
93.07056	3.4
95.08602	2.8
97.02897	27.7
97.22230	0.9
98.03257	1.0
98.06040	1.0
99.04459	10.9
103.03991	1.1
105.01874	46.5
105.07047	2.5
108.04482	3.0
109.02888	26.6
109.10159	1.1
117.01860	2.5
119.08577	2.3
121.10178	1.6
126.05482	1.9
127.03921	65.0
128.04327	1.3
129.01848	3.4
131.08560	1.7
133.10136	1.5
135.08138	1.4
139.33569	1.0
140.23492	1.0
145.04968	29.0
147.02954	2.3
147.04379	1.5
151.07529	1.1
153.01796	2.3
153.12779	1.5
154.41496	1.0
159.02902	14.4
177.92969	0.9
183.13763	1.5
189.03947	3.5
191.07074	1.2
197.13211	1.1
197.15042	0.9
213.04092	2.1
230.06473	1.1
231.05013	17.2
242.05753	30.2
242.08125	1.7
248.07596	1.2
249.06059	1.8
251.16457	2.2
257.04489	7.3
269.04440	3.3
270.05234	3.5
285.03940	22.7
287.57211	1.0
337.16431	4.0
372.24084	0.9
377.06561	1.0
393.05463	1.0
394.06888	14.0
409.09189	60.1
409.26373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05529	2.6
70.80125	2.1
95.08601	5.4
105.07043	3.1
107.08577	2.9
109.05021	7.5
116.61580	2.3
119.08607	5.0
122.01385	2.1
133.06491	3.0
141.03961	2.7
164.10454	3.9
182.25575	3.0
201.16304	2.3
222.14905	2.4
234.14687	9.3
246.18333	6.8
282.53421	2.5
287.03452	3.1
292.18878	14.1
294.72702	2.4
325.94565	2.9
346.27197	16.0
362.26605	3.3
374.26654	100.0
375.26834	9.3
390.26169	39.0
408.24179	6.9
409.14096	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0922
Annotation	Torosaflavone C
Peak:m/z	Relative Intensity
55.05490	0.4
64.43053	0.2
67.01863	0.3
67.05492	0.3
71.07738	0.5
77.32973	0.3
81.07043	0.5
83.04971	0.2
83.29086	0.2
91.05453	0.3
93.07026	0.5
95.04935	0.4
95.08594	0.5
105.06979	0.3
107.08614	0.3
109.10107	0.3
110.03635	0.8
117.06998	0.4
119.08579	0.5
125.13089	0.2
131.08672	0.3
135.08037	0.3
143.08508	0.3
153.01836	4.6
159.11676	0.4
203.03430	0.7
213.05508	0.5
214.06129	0.3
229.04950	0.4
241.05023	1.1
242.05754	62.7
243.06108	3.0
247.44225	0.3
257.04462	13.3
258.04889	0.8
269.04453	7.2
269.07352	0.4
270.05231	8.7
271.05615	0.6
285.03952	46.8
286.04300	3.4
377.06693	0.8
393.06131	2.1
394.06860	23.8
395.07224	2.2
397.81281	0.3
409.09189	100.0
410.09528	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	409.0921
Annotation	Torosaflavone C
Peak:m/z	Relative Intensity
55.05488	0.7
66.57723	0.5
67.05492	1.3
69.05585	3.3
69.06002	1.0
69.07059	1.3
76.72447	0.4
77.32977	0.5
79.05473	1.2
81.07027	1.4
84.67455	0.5
85.02831	0.5
91.05474	1.8
93.07022	1.6
95.08591	1.9
95.67039	0.5
97.06534	0.5
97.10168	0.5
100.11235	1.0
105.07045	1.4
107.08598	1.4
108.87965	0.5
109.02836	0.4
109.10153	1.0
110.03622	0.6
111.04406	0.6
117.06966	0.5
119.08575	1.7
121.10155	1.4
123.08057	0.5
124.83781	0.4
131.08554	1.1
133.10130	1.0
135.11662	0.8
141.01830	0.6
143.08539	0.5
145.10107	1.2
147.08046	0.7
149.02348	6.4
149.03448	1.1
153.01830	3.5
157.10141	0.7
159.08070	0.4
159.11723	1.1
169.10110	0.6
171.11571	0.6
185.13347	0.7
187.11044	0.7
187.14882	0.6
193.04968	12.2
210.14870	0.7
221.15276	0.6
241.04897	0.5
241.12053	0.5
242.05748	63.7
243.06097	3.7
257.04462	11.8
258.05072	1.1
265.40359	0.6
269.04443	8.4
270.05228	7.5
285.03937	46.8
286.04312	3.7
377.06549	1.0
393.06064	3.3
394.06839	26.3
395.07108	1.8
403.26422	0.5
408.31046	0.6
409.09189	100.0
410.09503	9.6
410.25577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
58.99585	1.0
69.08911	3.3
72.08163	0.5
79.74151	0.4
83.08616	1.8
84.04497	1.4
84.08948	0.5
85.04843	0.4
86.09728	2.3
91.05511	0.6
98.23465	0.8
116.01674	1.9
119.04917	0.4
119.94106	0.4
120.08108	1.7
121.08533	0.4
130.93057	0.4
136.07588	0.9
144.01152	1.0
159.08385	0.9
160.08684	0.5
162.02216	3.0
163.02501	1.6
164.01814	0.5
185.04225	3.8
201.12367	1.1
204.10147	0.4
246.04926	2.0
247.05789	21.0
248.06104	0.5
262.11105	0.9
263.11423	1.3
379.46170	0.5
385.41241	0.4
409.11041	100.0
410.11359	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	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69747	0.5
70.63423	1.0
75.07536	0.5
84.08110	0.7
86.09724	0.5
116.73338	0.4
136.07574	0.8
185.04248	4.0
246.05035	2.0
247.05765	19.6
248.06146	1.3
250.11977	0.6
264.45355	0.5
285.76312	0.5
298.42334	0.6
322.63974	0.5
338.20544	0.5
342.37878	0.5
409.10992	100.0
409.18216	54.4
410.11368	7.2
410.18411	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21762	0.6
62.89186	0.6
68.04606	0.6
69.77073	2.4
70.06595	1.1
72.08138	0.6
84.08162	1.2
86.09715	3.0
95.97005	0.6
97.12386	0.6
102.74667	0.6
131.18355	0.5
136.07570	0.7
148.80429	0.6
165.05434	0.7
185.04227	11.0
200.13956	0.9
213.07674	0.6
217.35249	0.7
218.67407	0.6
246.05023	1.7
247.05789	7.5
378.09143	0.7
409.11053	100.0
410.11325	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	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03216	0.3
69.03422	0.4
70.06596	0.4
70.35513	0.8
71.05002	0.3
81.03410	0.3
82.01738	0.2
85.02908	1.3
86.09654	0.2
87.00846	0.4
88.89616	0.2
93.07092	0.3
97.02903	0.6
99.04451	0.3
105.01885	0.5
111.62476	0.2
124.07607	0.5
127.03928	0.7
136.07593	0.6
139.41504	0.2
145.04897	0.4
145.10170	0.4
185.04201	0.7
203.05252	0.4
246.04967	0.6
247.05756	5.3
247.08281	0.4
250.11772	0.3
269.69937	0.3
273.12421	0.4
335.52377	0.3
375.58530	0.3
409.11075	21.1
409.18250	100.0
410.11911	1.4
410.18649	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72021	0.3
66.54272	0.3
69.03466	0.3
69.21577	2.4
69.21970	0.8
74.16608	0.3
81.03406	0.4
108.65685	0.3
127.11242	0.4
187.11266	0.4
201.03693	0.4
203.05304	1.6
204.22264	0.4
409.18335	100.0
410.18774	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	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13187	0.2
69.03413	0.4
70.06570	0.4
71.04984	0.4
86.09692	0.5
91.05536	0.4
98.22571	0.9
103.05481	0.3
104.56158	0.3
108.20098	0.3
119.05007	0.3
119.08609	0.4
120.08085	0.4
120.14069	0.3
145.10098	0.5
155.99626	0.3
166.84448	0.3
173.13188	0.4
179.07050	0.3
191.07109	0.4
203.05241	1.5
229.69315	0.5
243.09261	0.3
247.13347	0.5
372.45261	0.3
409.18317	100.0
410.18683	8.4
427.46344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.05500	0.3
57.03440	0.2
57.57047	0.3
67.05495	1.1
69.03413	0.7
69.07079	0.5
70.06586	0.5
71.04987	0.5
72.08138	0.4
73.02902	0.3
79.05502	0.9
79.58310	0.3
81.03420	0.7
81.07055	0.9
83.04961	0.3
84.08138	0.4
85.02902	1.9
85.06546	1.8
85.25526	0.3
86.09693	0.5
87.00813	0.6
87.96197	0.3
91.05495	0.9
93.07028	0.7
95.04970	0.8
95.08633	0.3
96.90243	0.3
97.02899	0.6
99.04453	0.5
105.01897	0.4
105.07027	1.3
107.04959	0.4
107.08575	0.7
109.02905	0.7
109.06517	0.5
109.10147	0.4
114.62448	0.3
117.06990	0.3
119.08600	0.9
120.09838	0.3
121.06470	0.3
121.10097	0.4
125.09660	0.3
127.03928	0.8
129.07002	0.4
131.08556	0.4
133.10138	0.6
137.06024	0.5
137.09647	0.3
145.08578	1.5
145.10120	0.6
149.09644	0.5
150.05566	0.3
151.03867	0.3
159.02840	0.3
161.09665	0.4
165.31442	0.3
187.11227	0.6
189.09065	0.3
191.07079	0.6
203.05147	0.4
213.11314	0.4
229.12206	1.1
247.13095	1.4
273.06311	0.3
289.36060	0.3
298.02289	0.3
409.18338	100.0
410.18692	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
57.03434	0.3
57.92112	0.2
61.02901	0.4
67.05502	0.4
69.03415	1.2
71.04993	0.6
71.29623	0.4
71.50953	0.3
73.02901	0.8
77.82717	0.2
79.05515	0.6
81.03409	0.5
81.07053	1.5
83.00430	0.3
83.04980	0.5
85.02905	1.4
85.06522	0.3
86.09702	0.3
91.05470	0.7
93.07038	0.4
95.04977	1.0
95.08562	0.2
97.02895	0.9
102.41859	0.3
105.07027	0.6
107.08588	0.3
109.02872	0.3
111.04446	0.8
115.24038	0.3
115.34541	0.3
117.07025	0.4
119.08588	0.4
121.06405	0.3
127.03930	0.5
128.06229	0.4
129.05496	0.6
129.07001	0.5
129.63203	0.3
136.07613	0.4
139.03970	0.3
141.06956	0.5
141.97194	0.3
145.04967	0.6
147.06497	0.6
149.09615	0.3
157.04927	0.4
224.92078	0.3
229.12280	0.3
232.09590	0.3
247.13196	1.0
257.00797	0.3
268.38205	0.3
317.72656	0.3
365.12030	0.3
409.18347	100.0
410.18689	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	409.1858
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
53.03952	4.2
55.01867	3.7
55.05512	8.4
56.05033	4.4
56.96560	4.1
57.03435	3.6
60.04514	3.2
61.02929	3.8
65.03941	3.8
67.05508	16.5
69.03083	3.4
69.03434	40.1
69.07052	4.6
69.27740	6.1
69.28156	9.0
70.06599	13.7
70.06906	2.1
71.04977	5.0
72.08163	13.8
79.05489	13.5
81.03423	8.1
81.07064	11.3
83.04977	8.7
84.04510	6.7
84.08151	13.2
85.02901	9.6
86.09691	6.5
88.03960	4.2
91.05476	20.8
93.07049	39.3
95.04984	42.3
95.08602	9.0
97.02878	16.5
97.06526	5.7
98.23353	4.3
99.04474	3.3
102.05553	3.0
103.05439	5.9
105.07040	48.1
107.04966	6.2
107.08579	8.9
109.02830	3.3
109.06529	44.1
110.07145	3.0
111.04432	12.6
111.08051	3.8
111.25124	2.1
116.07098	2.7
117.07000	8.7
119.04919	5.1
119.08582	35.5
120.08119	60.9
120.08949	2.6
121.02860	4.1
121.06515	23.4
121.10110	6.0
123.04461	5.5
123.08098	11.6
125.05972	3.6
127.03970	12.9
128.06236	5.0
129.07053	5.1
129.10237	6.3
130.07797	2.4
131.04932	2.3
131.08574	17.0
133.06488	6.4
133.08296	2.0
133.10150	20.0
135.08084	11.0
136.07599	10.0
137.05998	10.4
139.03871	2.3
141.06917	4.7
141.15945	2.2
142.07788	10.9
143.08569	14.7
145.02837	2.4
145.06462	6.7
145.10156	28.8
146.07256	4.4
147.08063	20.0
147.11635	4.8
148.08792	3.1
149.06013	6.0
149.09601	5.0
151.07535	4.2
155.06038	2.2
155.08522	4.0
157.10112	28.3
158.07265	7.6
159.08046	17.2
159.11671	15.0
160.08812	4.5
161.05989	6.1
161.09627	47.5
163.03868	3.0
163.07553	5.2
163.11174	4.5
165.59062	2.0
166.08673	3.1
167.07053	8.1
167.08348	2.3
169.13370	2.7
171.08087	5.9
171.11682	5.5
172.08777	5.8
173.06187	4.8
173.09612	10.1
173.13261	18.5
175.07562	12.7
175.11198	15.3
177.05453	3.5
177.09157	5.1
177.12752	3.1
183.11636	5.8
185.09662	6.3
185.13254	5.7
187.07425	4.6
187.11182	13.2
189.05467	4.2
189.09061	15.1
189.12659	3.5
193.08664	2.8
196.08878	3.3
199.11293	3.0
201.09229	3.0
201.12784	13.2
203.10681	36.8
205.12273	8.2
211.11206	14.6
213.12326	2.9
217.12228	6.1
219.13777	12.7
223.10869	7.7
229.12160	19.7
247.13295	100.0
248.13629	6.4
252.97919	4.4
263.00769	2.5
265.14404	8.5
278.47104	2.5
325.14392	4.6
333.13467	13.2
391.17380	5.4
409.10052	11.5
409.15039	2.8
409.18518	18.6
410.10107	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	409.2199
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
64.04529	0.4
69.19963	1.9
69.20364	0.6
81.15787	0.3
95.08651	0.4
98.23319	0.5
149.02390	0.8
149.68748	0.3
193.04967	1.0
216.07568	1.8
227.84879	0.4
328.52002	0.4
335.18329	1.0
409.21951	100.0
410.22305	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	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.7
55.05509	19.7
57.07074	12.3
59.02809	3.8
65.03947	4.2
67.05500	22.3
69.03421	9.0
69.07072	15.4
71.31656	6.1
77.72257	5.6
79.05494	27.7
80.55200	4.7
81.07053	42.2
83.04996	7.4
83.08609	23.9
91.05473	39.6
93.07051	46.7
95.04986	48.9
95.08611	38.8
96.37492	5.1
97.06528	10.1
98.09270	4.3
105.07030	100.0
105.07745	4.9
107.08591	30.7
109.06524	18.2
109.10162	16.3
113.82492	4.6
117.07009	10.5
119.08591	68.2
119.88386	4.3
121.06502	19.5
121.10140	23.0
123.08082	20.1
128.06198	8.0
129.07040	9.6
131.08571	29.5
133.10138	27.5
135.08060	17.4
137.09607	13.0
142.07808	13.5
143.08575	24.6
145.10117	47.5
147.08055	24.6
147.11705	37.3
149.09630	11.7
151.07541	15.8
155.08539	8.7
157.10147	19.1
159.08128	7.5
159.11746	21.7
161.09642	11.3
161.13274	6.3
163.11243	7.4
165.09106	36.2
169.10165	7.0
170.10861	5.6
171.11684	12.6
173.09627	6.8
173.13307	8.9
175.11223	18.2
183.11699	12.1
187.14799	9.8
189.12746	6.2
201.12761	7.0
203.14334	18.7
207.13837	9.6
211.14867	9.4
221.15332	65.7
225.16579	5.4
229.16042	5.4
234.16216	13.2
279.16684	5.0
287.20081	8.7
329.21222	5.6
391.25900	6.5
409.12747	6.4
409.27231	36.0
409.34525	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49481	1.6
53.03944	4.1
55.01870	3.9
55.05513	17.1
57.03445	1.8
57.07081	8.2
59.05006	2.8
59.75687	1.3
60.01779	1.3
63.30293	1.2
63.32376	1.4
65.03930	1.8
66.45850	1.8
67.05510	18.3
67.29395	1.4
69.03430	7.8
69.07059	6.2
69.19760	10.2
71.05004	2.7
79.05501	21.1
81.03398	2.3
81.07056	32.5
83.04973	4.7
85.06531	1.6
91.05481	41.5
93.06468	2.4
93.07053	45.1
95.04976	52.5
95.08611	27.5
95.49107	1.6
97.06542	8.5
98.22617	3.2
101.89011	1.4
103.05474	3.3
105.07036	100.0
106.07359	1.9
107.04987	2.5
107.08595	25.9
109.06519	13.8
109.10158	10.0
111.08109	1.6
115.05433	3.1
115.35117	1.4
117.07042	12.9
119.05006	1.7
119.08581	63.2
120.08900	1.9
121.06509	20.9
121.10158	15.4
123.08072	19.6
123.11698	2.4
128.06244	4.3
129.07005	7.6
130.07794	5.4
131.08582	21.9
133.06496	5.4
133.10121	19.5
135.08060	16.7
135.11661	5.1
137.05972	3.0
137.09604	10.2
141.07028	4.2
142.07761	10.4
143.08566	14.6
144.09314	3.4
145.06462	1.9
145.10132	37.1
147.08058	23.1
147.11687	32.0
149.09584	10.3
151.07542	21.4
153.07062	1.9
153.09123	2.1
154.07759	1.6
155.08536	7.4
156.09331	5.7
157.10136	18.8
158.10670	1.9
159.08066	4.9
159.11699	15.2
161.09593	8.5
161.13239	4.4
163.11174	5.5
165.07040	2.0
165.09137	43.4
167.08627	3.3
168.09387	3.5
169.10147	9.6
170.10797	2.0
171.11726	12.4
172.08830	2.2
173.09627	6.2
173.13223	7.2
174.10303	1.8
175.11201	22.1
176.11591	1.4
177.09114	3.9
179.10770	1.5
181.10077	2.9
182.11026	2.1
183.11714	11.1
185.13274	5.8
187.11171	4.7
187.14833	2.9
189.12827	7.3
191.14339	2.0
195.11691	5.6
197.13289	2.7
199.11191	2.3
199.14900	1.7
201.12738	8.5
203.14323	19.0
207.11913	2.8
207.13632	8.8
209.13272	2.6
209.15237	3.7
211.14847	4.5
213.12784	3.9
215.14365	1.9
219.13792	4.6
221.15361	80.3
222.15782	4.5
229.15907	4.1
231.13873	2.5
233.13318	1.6
233.15457	4.2
234.16110	10.9
239.14374	2.3
243.13960	1.5
257.15335	1.9
269.18961	1.9
281.19220	1.6
284.36221	1.4
286.19278	5.3
287.19998	6.7
300.20856	3.7
302.37366	1.5
329.21097	7.5
391.26114	5.0
409.27261	41.8
410.27747	4.7
428.56915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.5
55.01871	3.4
55.05506	18.8
57.07074	14.6
59.05008	4.9
66.86369	2.4
67.05508	26.4
69.03441	8.3
69.07079	10.3
69.29752	6.3
69.30173	9.2
71.05005	2.8
71.08653	5.7
79.05499	23.9
81.07063	39.4
83.05003	5.2
83.08637	9.1
85.06557	2.9
85.10165	4.9
88.11842	2.4
89.06033	17.9
91.05486	40.3
93.07043	49.8
95.04981	45.0
95.08608	37.7
96.05209	2.3
97.06524	11.6
98.23346	5.3
103.05461	4.3
105.07034	100.0
106.07366	4.4
107.08595	27.9
109.06518	14.4
109.10178	18.6
111.08057	3.3
115.05447	3.9
117.07033	16.9
119.08588	71.5
121.06505	15.7
121.10143	14.1
123.08087	27.2
123.11687	2.7
125.53623	2.3
128.06236	4.7
129.07045	9.2
130.07796	3.6
131.08591	25.5
133.06512	6.4
133.08620	9.3
133.10144	21.8
135.08052	14.7
135.11691	4.8
137.09666	9.5
141.06973	4.7
142.07773	13.8
143.08588	22.3
144.09296	5.0
145.10144	33.7
147.08072	17.3
147.11691	33.2
149.09651	12.0
151.07562	26.4
151.92848	2.5
153.09087	2.4
154.07790	3.5
155.08556	9.1
156.09319	7.8
157.10141	24.7
159.08070	5.9
159.11678	18.2
160.08781	2.4
161.09625	7.6
161.13223	4.8
163.11282	8.0
165.07005	2.9
165.09114	36.1
167.08551	5.1
168.09381	7.1
169.10165	16.5
170.10878	3.1
171.11678	11.1
173.09616	4.8
173.13327	8.1
174.10370	2.3
175.11215	18.2
177.09157	4.6
179.08783	3.0
181.10115	6.3
181.12256	2.7
182.11023	2.8
183.11754	16.7
185.09644	3.5
185.13286	8.3
185.29350	2.6
187.11217	6.3
187.14868	5.8
189.12740	9.4
194.10953	2.8
195.11768	3.3
196.12563	3.3
197.13283	5.3
199.11205	3.1
201.12796	7.6
203.14337	17.1
207.11858	2.8
207.13861	8.7
209.13284	5.2
209.15137	4.5
211.14847	8.0
213.12785	3.4
215.14523	3.0
219.13786	4.9
221.15359	60.6
222.15799	4.4
225.12688	2.3
227.14272	2.6
229.15927	6.6
231.13907	2.6
233.15308	3.4
234.16110	9.5
239.14807	7.6
241.15909	3.1
263.85690	2.3
286.19266	4.2
287.20154	8.0
299.19751	2.3
329.21259	3.6
345.25949	2.4
391.26303	3.5
393.73880	2.3
409.27264	36.7
410.27679	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.05506	18.2
57.07061	8.8
61.19002	5.1
67.05501	26.4
69.07059	10.7
71.10086	6.3
71.10433	9.4
79.05498	31.1
81.07050	44.4
83.08607	8.4
85.06540	12.5
87.67383	5.2
91.05484	45.3
93.07056	46.8
95.04973	52.4
95.08617	37.3
97.06564	9.0
103.05511	6.9
105.07036	100.0
107.08570	36.1
109.06535	13.7
109.10162	15.0
115.05479	8.2
117.07018	13.8
119.08580	71.8
121.06513	22.6
121.10159	17.9
123.08079	25.0
128.94951	5.4
129.07033	9.1
131.08563	20.3
133.10135	17.0
135.08070	12.3
135.11670	7.6
137.09639	11.5
142.07803	11.4
143.08574	26.2
145.10112	32.3
147.08054	22.2
147.11697	42.7
149.09555	11.4
151.07545	21.5
155.08554	11.6
157.10115	29.3
159.11737	20.2
161.09668	8.5
161.13243	11.5
165.09100	41.2
169.10155	10.6
171.11664	12.3
173.09636	7.1
173.13330	9.3
175.11194	17.9
177.09108	8.3
181.10049	6.8
183.11728	15.4
185.13116	5.6
199.11208	6.9
201.12750	8.9
201.16286	9.3
203.14342	18.0
207.13857	12.2
209.15373	6.8
221.15373	71.4
222.15759	12.3
229.15837	5.7
234.16150	15.3
286.19360	6.2
287.20068	9.7
329.20947	6.3
409.27057	46.9
410.27811	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	2.5
53.03942	4.0
53.43971	2.0
55.01867	2.2
55.05511	16.1
57.07077	7.2
59.04995	3.8
65.03938	4.3
65.62136	2.0
67.05513	18.9
69.03432	8.9
69.07071	8.7
69.61320	8.3
71.04990	2.9
79.05492	23.1
81.07063	32.3
83.04980	3.1
83.08614	2.7
85.06554	2.6
91.05480	34.6
91.06017	3.1
93.07046	47.2
95.04973	48.8
95.08611	31.6
97.06534	4.2
98.23316	4.1
98.79746	2.2
105.07033	100.0
106.07350	3.2
107.08591	22.6
109.06533	13.5
109.10159	12.1
111.08122	2.9
115.05469	2.4
117.07018	11.9
119.08587	60.4
121.06512	15.2
121.10146	14.8
122.84434	2.3
123.08096	20.3
123.11680	2.3
128.06310	2.4
129.07021	9.5
129.97391	2.0
130.07814	3.5
131.08554	22.6
133.06471	6.4
133.10130	20.5
135.08064	13.7
135.11655	4.7
137.09581	14.0
141.06982	2.9
142.07816	13.2
143.08545	14.9
144.09343	2.3
145.06526	3.7
145.10135	31.7
146.10815	2.7
147.08058	19.1
147.11674	25.9
149.09628	8.1
151.07553	18.9
153.07013	2.8
153.09105	3.0
155.08594	9.5
156.09396	3.4
157.10121	20.4
159.08087	6.2
159.11684	14.8
160.12056	2.7
161.09610	6.6
161.13255	4.7
163.11215	6.3
165.07022	2.4
165.09103	35.3
168.09297	4.1
169.10162	12.8
170.10857	2.8
171.11667	9.5
173.09689	3.0
173.13275	7.8
175.11189	21.2
177.09018	2.9
181.10103	5.0
182.11090	2.5
183.11697	8.8
185.09691	2.9
185.13271	6.9
187.11163	5.0
187.14920	2.7
189.12776	7.6
191.14365	3.2
195.11737	5.1
196.12404	2.7
197.13289	5.2
199.14752	2.4
201.12747	8.9
201.16350	4.3
203.14264	17.4
207.13805	7.5
209.15526	2.6
211.14832	4.4
213.12779	2.6
219.13953	3.0
221.13441	2.6
221.15375	63.6
222.15721	3.9
225.12704	2.2
229.15889	3.8
231.13773	3.6
233.15276	2.7
234.16051	11.2
286.19107	2.4
287.20035	7.4
299.20322	2.6
300.20685	3.2
329.21210	4.5
391.26071	4.0
409.27213	33.3
410.27438	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	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.5
57.07077	100.0
67.05500	12.1
68.03288	3.4
68.23648	3.5
69.03385	3.8
69.07067	23.9
69.26051	26.9
71.08288	6.4
71.08639	84.8
79.05496	11.1
81.07070	25.7
83.08603	21.1
85.10185	52.1
86.37598	3.6
89.06028	5.4
90.36160	4.2
91.05501	12.3
93.07040	24.0
95.08616	41.7
97.10182	9.1
99.67578	5.5
105.07043	23.0
107.08593	27.0
109.10135	23.0
109.27612	3.9
111.08098	4.9
111.11682	4.4
119.08600	21.4
121.10091	19.0
122.10481	3.6
123.08084	5.4
123.11697	12.1
127.36172	4.1
131.08577	11.0
133.10156	15.5
135.08037	6.9
135.11694	8.8
137.05986	6.9
145.10103	9.5
147.07994	4.8
147.11661	12.1
149.05931	7.2
149.09656	6.7
150.72421	3.9
151.07558	40.0
153.09146	5.2
157.10150	8.5
159.11740	8.1
161.13271	6.1
163.07530	16.7
163.23752	3.8
165.09108	33.0
171.11761	5.1
173.09677	7.1
173.13287	6.7
177.09134	35.8
179.10670	14.1
179.12155	3.9
179.47905	3.6
181.64832	4.0
185.13226	5.5
187.11140	5.3
187.14738	5.3
191.10661	13.7
195.10159	4.8
201.12794	4.7
203.14317	5.9
203.17996	6.4
205.12315	7.6
219.13928	7.9
243.17566	4.0
251.16452	5.1
261.18463	4.5
271.20425	5.5
304.63321	3.7
355.29990	4.6
409.34680	85.1
410.35089	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
54.97490	0.7
55.05513	44.0
57.07078	14.4
67.05502	13.0
69.07069	42.1
69.07967	2.6
69.08389	3.0
70.07423	1.0
71.08632	10.3
75.69665	0.7
79.05493	6.4
79.10332	0.7
81.07057	21.5
83.04990	2.7
83.08618	100.0
84.08948	2.6
85.06528	1.9
85.10178	1.2
91.05486	9.4
93.07038	10.4
95.05017	1.0
95.08607	27.3
97.06538	7.9
97.10167	10.1
105.07032	10.9
107.08601	9.4
109.10154	15.7
111.11700	1.3
117.07056	1.5
119.08580	10.7
121.06526	1.4
121.10139	9.0
123.08116	1.7
123.11749	3.6
125.34612	0.7
128.06207	1.0
129.06992	1.0
131.08556	5.6
133.06409	0.9
133.10129	17.3
135.08076	2.1
135.11688	4.2
137.13254	1.3
139.14821	1.7
142.07883	1.1
143.08580	3.7
145.10063	6.0
147.08049	1.7
147.11693	4.8
149.09624	3.3
149.13298	1.7
155.08562	4.3
157.10123	6.5
159.11703	6.8
161.09612	3.0
161.13255	2.0
163.11195	4.3
163.14766	0.8
165.16406	0.9
169.10181	1.4
171.11650	3.6
173.13248	3.1
175.11195	2.7
175.14862	2.4
177.12773	3.3
183.11691	1.8
185.13275	2.6
187.14842	1.8
189.12695	1.4
189.16411	1.4
191.17921	1.5
195.11830	1.0
197.13298	3.1
199.14767	3.5
201.16374	1.5
203.14336	1.2
209.13283	1.0
211.14853	3.1
213.16428	2.4
217.15788	1.4
217.19664	0.8
223.14850	1.9
225.16379	1.6
229.15924	1.9
231.17516	1.0
237.16322	1.3
243.17343	1.0
251.17882	5.1
252.18747	2.1
253.19485	8.5
269.19174	1.7
271.20566	5.2
293.22583	0.9
296.97742	0.9
301.25388	1.7
307.24112	1.2
315.27023	1.4
325.25372	1.0
325.28970	1.1
376.64035	0.9
391.33539	3.7
392.33841	1.3
409.34637	63.9
410.34909	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	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59437	3.9
55.05517	13.8
57.07085	8.4
61.74744	4.5
62.10244	3.5
67.05516	24.8
69.07056	37.9
69.28208	5.9
69.28610	21.2
73.50362	3.5
79.05496	7.0
81.07075	40.0
83.08626	17.5
88.24612	4.0
89.56947	4.6
91.05481	10.9
93.07043	24.5
95.08608	70.8
97.10175	10.6
105.07029	31.2
107.08607	34.1
109.10155	54.0
111.11729	9.5
117.07058	8.8
119.08581	60.8
121.10147	27.9
123.08025	4.9
123.11717	30.0
125.13278	7.5
129.07001	6.8
131.08607	19.6
133.10130	32.0
135.11707	18.8
137.13263	13.3
142.07895	5.5
143.08566	16.9
145.10141	45.5
147.11703	10.7
149.13283	10.9
149.65813	3.7
156.09355	6.5
157.10115	34.1
159.11699	51.7
160.12106	4.2
161.13309	10.4
163.14793	9.1
169.10115	7.0
171.11717	63.2
173.13271	9.9
175.14861	11.3
177.16391	4.4
183.11700	7.9
185.13239	27.7
187.14851	4.6
189.16425	8.9
191.17982	10.1
197.13283	12.1
199.14877	10.8
201.16463	7.6
203.17978	5.5
211.14778	8.4
213.16411	20.4
215.17923	10.6
217.19568	8.6
225.16286	5.0
227.17935	52.5
229.19547	5.5
231.95056	4.1
239.17987	18.1
241.19463	7.9
253.19501	13.1
267.21188	4.6
309.25763	12.4
323.27380	89.4
324.28067	69.7
325.28690	5.1
353.20297	4.7
391.33560	36.2
409.34647	100.0
410.35049	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63386	2.1
53.03931	1.9
55.05513	13.3
57.07082	2.7
57.31208	2.0
61.33136	1.8
67.05502	34.3
69.07074	17.6
69.26917	10.0
79.05498	21.6
81.07056	66.1
81.07523	4.2
83.04992	2.9
83.08626	7.0
91.05485	23.3
93.07037	43.9
95.04974	6.6
95.08611	100.0
96.08921	2.5
97.06538	2.2
97.10166	5.9
105.07034	54.7
107.08596	56.8
107.09288	3.8
109.06535	13.1
109.10162	45.1
109.94652	1.8
111.08109	9.0
112.73371	2.2
115.29774	2.1
117.07040	6.5
119.08576	53.9
121.06547	3.7
121.10148	43.2
123.08123	2.5
123.11723	15.2
125.09727	2.3
129.07027	3.5
130.07819	2.2
131.08580	22.0
133.06599	2.0
133.10129	31.7
135.11707	21.1
137.13237	2.8
142.07860	2.2
143.08563	9.9
144.09335	2.3
145.10139	36.5
147.08018	2.3
147.11691	33.3
148.12129	2.3
149.09624	2.7
149.13248	21.6
156.09241	2.0
157.10130	13.1
159.11702	23.6
161.13271	23.7
163.14824	14.9
165.09137	3.6
169.10132	3.3
171.11710	6.3
173.13263	17.1
175.11179	2.8
175.14822	20.9
177.16374	25.6
183.11661	3.1
185.13358	5.4
187.14859	16.6
189.16385	37.2
191.14456	2.9
191.18018	5.5
193.16069	2.9
199.14838	5.1
201.16382	21.3
203.14172	2.1
203.17943	25.7
205.16035	2.4
207.17432	2.0
211.14899	2.3
213.16403	6.6
215.18037	12.0
217.19554	3.6
219.17386	5.7
221.15381	4.7
227.17970	5.8
229.19617	4.6
231.17480	2.0
241.19524	2.9
245.19058	4.7
247.96257	2.0
255.21054	4.0
257.22635	2.3
273.22195	2.7
295.24335	2.6
299.23553	3.2
299.70901	2.2
313.25317	2.9
327.26892	5.5
381.35419	2.8
391.33563	21.1
392.33667	2.5
393.61929	2.0
397.55179	2.0
409.34717	65.0
410.34909	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94447	2.1
55.05520	17.6
57.07074	9.6
67.05502	13.6
69.07069	34.0
71.08632	4.5
79.05495	6.2
81.07053	27.3
83.08617	31.4
85.06565	3.9
91.05476	6.6
93.07040	13.8
95.08616	38.8
95.09171	4.4
97.06528	3.5
97.10165	9.1
98.23346	6.3
105.07037	18.0
107.08597	17.7
109.10174	25.3
111.11720	6.8
119.08582	36.6
121.10149	16.5
122.19436	1.9
123.08080	3.4
123.11726	17.0
125.13277	3.3
128.06271	2.3
129.07019	5.1
131.08577	19.4
133.10161	20.0
135.11705	10.9
137.13249	6.2
142.07784	2.6
143.08589	19.7
144.09346	3.6
145.10139	21.8
147.11694	16.6
149.13293	6.0
155.08601	4.4
156.09398	5.2
157.10104	19.5
159.11694	34.0
161.13309	5.9
163.14851	3.4
170.10985	6.5
171.11711	27.5
173.13278	12.5
175.14815	4.3
177.12840	2.1
183.11740	6.4
185.13266	48.1
186.13635	2.8
187.14845	7.7
189.16386	5.5
191.18033	5.6
197.13237	3.0
199.14859	11.0
201.16336	2.1
203.14346	3.9
203.17966	5.2
211.14865	2.3
213.16432	2.8
217.19621	4.5
225.16467	3.8
227.17944	5.5
230.71594	2.2
253.19519	7.4
255.21074	60.9
256.21414	5.3
269.22690	10.2
271.20627	2.7
301.25357	2.3
305.92734	2.1
309.25708	3.5
321.25702	4.6
323.27277	23.3
324.28046	14.3
339.26929	2.6
351.30646	4.9
391.33505	10.1
409.34677	100.0
410.34967	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	19.3
57.07074	16.2
67.05510	28.2
69.07063	28.0
71.08624	6.6
71.33237	6.5
79.05476	17.1
81.07066	50.7
83.08617	28.9
85.06549	25.3
91.05488	20.0
93.07034	44.2
95.08608	85.4
97.10206	9.0
105.07037	44.6
107.08586	37.8
109.10136	43.0
119.08585	43.6
121.10124	38.3
123.08076	7.0
123.11752	17.5
131.08594	21.0
133.10129	23.7
135.11708	24.1
137.13191	9.9
143.08540	8.2
145.10103	33.9
147.11668	32.5
149.13225	17.0
155.01022	16.4
157.10153	17.6
159.11708	21.0
161.13274	23.4
163.14816	7.7
164.37894	6.5
171.11690	12.0
173.13234	17.0
175.14864	19.0
183.11652	8.8
185.13326	14.7
187.14909	15.2
189.16403	13.6
190.97287	7.5
191.17970	17.5
195.12105	7.2
199.14772	11.2
201.16302	18.4
203.17938	13.7
203.34052	7.2
205.15901	9.8
211.14894	8.2
217.19562	15.6
227.18065	10.4
391.33649	28.2
409.34912	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35932	0.7
53.03944	6.0
53.07533	0.9
57.03431	2.8
61.02924	2.8
63.37896	0.8
66.40614	0.9
69.03442	7.8
70.06592	3.0
70.67694	1.3
72.08148	3.1
73.02920	21.0
81.03419	100.0
82.03770	2.2
83.04979	1.6
84.04518	2.0
84.08132	1.7
85.02908	9.9
86.09705	3.1
87.04459	0.8
91.03953	0.9
93.07043	1.0
95.04961	2.7
97.02900	10.4
99.04436	1.6
103.05461	1.2
105.06994	1.1
107.04971	1.7
115.03911	6.0
120.08119	3.9
121.06446	0.9
121.08433	1.9
123.04454	1.3
123.51947	0.8
127.03922	3.8
128.43221	0.8
133.04962	5.7
136.07600	2.8
145.04961	5.2
149.06007	3.2
150.07599	1.5
153.05363	1.1
163.06036	1.6
169.15720	0.9
186.06606	0.9
192.47285	0.9
193.04996	1.4
195.06534	2.7
213.07550	5.7
241.07124	1.2
248.13438	0.9
249.16039	1.0
274.03000	0.9
275.77228	1.1
410.11099	2.0
410.19949	1.6
411.12524	2.5
411.17032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01882	3.6
55.05502	2.8
57.03430	2.0
57.07085	3.3
61.02922	1.6
67.05503	1.4
68.99778	1.1
69.03432	9.5
69.07063	1.0
71.04652	1.0
71.05000	13.8
73.02921	3.4
73.06551	3.2
75.04457	0.7
79.05511	0.6
80.05798	0.6
81.03420	6.9
81.07069	1.6
83.04955	0.8
83.08611	1.3
85.02910	25.5
85.06533	0.7
87.00833	11.0
87.08115	1.4
91.03962	0.6
91.05476	1.1
93.07056	1.1
95.08610	0.8
97.02895	10.8
99.04444	3.9
100.07591	1.0
105.01868	9.3
105.07005	0.8
107.08624	1.2
109.02875	7.0
109.10170	4.9
117.01866	1.4
127.03915	15.6
127.11196	27.2
128.11501	0.9
131.08585	0.7
145.04968	7.0
145.12241	100.0
146.12590	3.2
159.02924	3.7
213.03911	0.8
231.05025	2.9
242.37424	0.7
248.12856	0.7
250.63957	0.7
367.57764	0.8
411.19763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.7
55.01865	13.9
55.05511	5.0
57.03424	7.7
57.07079	7.1
61.02926	6.2
61.54702	2.8
61.88181	3.4
63.33588	2.4
67.05496	8.6
69.03429	36.2
69.07065	5.2
69.88535	5.8
69.88932	6.4
71.04985	6.8
73.02916	11.4
79.05489	4.7
81.03416	39.0
81.07045	8.8
83.04974	3.0
85.02911	100.0
86.03242	3.2
87.00832	39.8
90.16940	2.8
91.03957	5.3
91.05471	5.9
93.07050	7.9
95.08599	8.6
97.02894	53.2
99.04443	19.0
100.11233	4.0
105.01874	53.0
105.07029	7.9
106.89281	2.8
107.04976	3.1
107.08579	7.0
108.04482	9.2
109.02890	32.3
109.10175	4.6
117.01859	5.4
119.08570	7.1
121.06525	3.6
121.10171	6.0
123.08020	3.1
126.05531	6.2
127.03925	82.0
129.01865	4.5
131.08578	3.1
133.10132	4.5
135.11644	2.9
145.04965	45.6
145.10168	4.2
149.02371	7.4
159.02884	25.4
159.11700	4.4
193.04990	6.4
213.03998	5.8
231.05067	13.6
255.11073	3.0
409.65048	3.0
410.26230	5.9
410.31528	11.8
411.19894	5.2
411.28519	3.7
419.31876	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	410.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30733	39.1
73.29757	34.4
109.10176	50.2
139.68538	29.1
149.02376	57.9
158.13986	33.9
183.32722	35.1
193.05110	36.4
199.96988	31.9
229.07565	53.7
247.08566	49.7
356.67368	34.4
369.19479	68.7
375.20755	57.3
387.20551	100.0
395.74158	35.5
411.27393	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.1
57.06795	1.9
57.07081	38.9
58.45851	1.3
67.05512	2.8
69.07070	2.9
69.23854	8.5
71.08636	27.2
73.06566	5.1
79.05487	2.3
81.07072	5.9
82.07416	1.5
83.04967	1.3
83.08637	2.6
85.10191	24.4
89.06036	100.0
90.06348	2.3
91.05491	5.9
93.07057	5.9
95.04983	5.8
95.08598	2.0
96.08955	1.6
97.10177	2.5
98.22614	3.1
99.11720	3.2
101.30914	1.3
105.07036	8.1
106.07401	3.8
107.07076	3.8
107.08559	1.7
109.06545	2.3
109.10190	1.4
119.08603	6.8
120.08916	3.6
121.06514	2.2
121.10104	1.9
122.10477	1.4
123.08107	3.1
132.08940	2.6
133.08607	48.6
133.10115	2.2
133.32619	1.4
142.07710	1.9
145.10146	2.6
146.10521	2.8
147.07939	1.5
147.11739	1.9
151.09686	3.7
155.17909	2.8
157.10086	3.0
159.11575	1.5
159.51743	1.9
160.12021	2.1
165.09149	2.8
166.09294	1.8
169.10092	1.7
177.11247	11.8
194.87772	1.5
195.12282	2.5
199.20618	2.5
221.15459	3.6
222.15761	6.1
226.28996	1.7
239.14877	24.6
243.23218	5.5
246.78883	1.4
287.25946	1.9
319.03622	1.3
393.32108	20.0
399.81287	1.5
410.27731	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89183	0.9
56.96570	15.4
61.02891	1.1
62.93233	0.8
69.03426	1.3
71.29148	1.7
71.95271	1.6
84.08156	2.2
84.96038	2.2
85.02909	2.3
86.09702	1.7
97.02901	2.2
98.97588	100.0
100.99213	1.4
101.00822	0.9
110.97572	19.3
112.28421	0.9
112.99140	21.9
116.97800	1.5
116.98627	26.2
117.99012	1.2
119.96218	1.0
124.99134	8.3
127.00701	1.5
128.98611	13.5
131.00180	15.6
134.99667	3.8
139.15141	0.9
140.98616	3.7
143.00174	14.5
144.98126	1.3
145.01711	2.6
146.99638	4.7
147.80565	0.9
149.01234	4.9
156.98131	1.9
158.99657	23.4
160.00011	0.9
161.01241	8.7
161.02469	1.4
170.99660	35.5
171.05077	1.1
173.01237	11.0
174.99210	1.1
175.02818	0.9
177.00723	16.7
182.99660	13.9
187.02843	0.9
189.00716	36.0
189.04268	1.3
190.01064	1.1
191.02293	6.1
201.00705	23.6
205.03842	2.0
207.01767	6.4
212.02383	1.0
213.00789	1.6
219.01773	41.3
231.01768	77.0
232.02129	3.2
237.02873	9.3
243.01787	1.2
245.05145	1.6
249.02844	28.9
250.03242	1.1
255.01634	1.3
261.02768	3.5
273.02646	2.9
277.05966	2.1
279.03806	2.8
291.03864	18.4
292.06375	1.0
295.07025	5.4
307.07074	1.8
325.08191	1.2
351.05789	1.9
351.10086	4.4
369.06906	1.2
369.10928	2.0
411.07953	16.0
412.08417	1.6
413.31741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	2.7
60.04526	1.5
67.05427	1.8
69.03402	1.4
70.06596	6.8
70.82952	3.0
71.04972	2.0
72.08149	3.3
73.02919	3.2
74.06072	1.6
81.03426	9.5
82.03727	3.4
84.04493	2.7
84.08129	4.7
85.02889	2.2
86.09697	2.3
89.69706	1.3
98.97642	1.3
105.07062	2.1
110.07146	3.5
120.08093	6.0
127.03899	1.7
129.10220	1.9
133.06442	1.6
136.07527	1.5
143.96468	1.3
162.02867	2.5
177.05495	2.1
185.70349	1.3
227.05243	2.2
229.48419	1.3
249.12482	1.4
271.04163	4.5
325.08813	5.6
367.10031	43.0
368.10471	2.4
411.08853	100.0
411.17984	5.3
411.28549	2.3
412.08948	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	411.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43713	7.8
70.06607	2.2
86.02914	1.7
87.84437	1.6
123.04451	1.6
185.55228	1.7
203.05341	2.0
212.85606	1.5
217.61308	1.6
253.07123	2.2
390.41309	1.8
411.12567	100.0
412.12869	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	411.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93459	8.4
70.06594	20.1
70.97071	14.2
72.52570	7.9
85.02922	12.0
85.06525	10.5
86.09715	11.9
97.02881	10.2
98.80664	7.9
105.12324	9.4
113.07344	8.4
115.78735	8.2
136.06227	28.0
171.99164	8.3
177.05493	12.8
197.08961	10.9
249.11385	10.4
264.16861	11.5
310.17212	17.0
388.48859	11.7
411.10974	100.0
411.22171	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	411.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24088	0.5
65.45133	0.4
70.06578	0.9
70.10465	1.0
125.72239	0.4
129.16505	0.4
168.86089	0.5
193.89404	0.5
203.05283	0.8
292.06021	0.4
333.96198	0.5
411.12573	100.0
412.12863	7.7
412.17728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24336	0.3
55.01883	0.3
69.03465	3.1
71.04993	0.3
79.05462	0.3
81.03412	0.4
81.07073	0.3
83.83969	0.3
84.76202	0.3
85.02923	0.9
86.35332	0.3
91.05464	0.3
93.07038	0.3
95.08598	0.5
97.02913	0.4
98.23376	0.6
105.01857	0.6
107.32128	0.3
108.60773	0.3
127.03896	0.6
145.05016	0.3
163.07578	0.3
172.58177	0.3
174.64706	0.3
200.28938	0.3
221.93288	0.3
249.10936	0.9
267.10718	0.3
299.92572	0.3
314.70743	0.3
411.16196	100.0
412.16589	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	411.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11785	0.5
65.30146	0.6
69.07050	0.7
92.07243	0.6
93.07095	0.6
241.58545	0.6
244.84644	0.7
289.53424	0.6
411.27161	100.0
412.27499	9.1
416.73029	0.6
435.57916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72417	0.8
55.46128	0.9
57.34485	0.9
61.23260	0.7
64.59718	0.9
68.18530	0.8
71.31403	1.1
95.08619	0.9
111.59035	1.0
121.10122	0.9
190.20096	0.9
198.45465	0.9
386.34280	0.9
411.27148	100.0
412.27441	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	411.3257
Annotation	6-Geranylgeranyl-2,3-dimethylbenzene-1,4-diol
Peak:m/z	Relative Intensity
55.05518	14.4
57.07087	11.3
67.05512	16.9
67.85324	2.1
69.03461	2.1
69.07069	46.9
71.08644	2.8
79.05499	9.9
81.07056	37.7
82.07365	2.2
83.04971	2.1
83.08629	12.8
91.05487	11.4
93.07047	23.6
95.04973	2.5
95.08610	62.4
96.08932	4.1
97.06538	2.3
97.10166	6.4
99.04485	2.3
100.41120	2.0
105.07030	29.0
105.36628	2.3
107.08592	41.2
108.08875	2.3
109.06512	2.0
109.10160	35.0
111.08089	6.2
111.11720	5.5
117.06995	8.5
119.08582	26.7
120.08906	3.6
121.06523	2.8
121.10132	35.4
122.10492	2.5
123.08122	3.6
123.11723	19.4
128.06197	2.7
129.06998	4.5
130.07785	2.4
130.52487	2.2
131.08560	12.2
133.10135	31.0
134.10487	2.3
135.08052	4.0
135.10747	3.4
135.11693	22.3
137.13252	12.5
139.07475	2.6
143.08580	7.6
145.10126	28.7
147.08029	6.8
147.11691	21.1
148.11952	2.2
149.09557	5.1
149.13226	12.4
155.08496	2.7
157.10173	10.8
158.07248	7.0
159.11696	18.0
159.84312	2.3
160.12090	1.8
161.09610	5.6
161.13297	13.5
163.11055	2.7
163.14796	4.2
171.11670	12.4
171.48013	2.1
173.09621	78.9
173.13234	10.8
174.09955	4.6
175.11201	17.2
175.14835	5.0
177.16386	7.0
179.08470	2.4
183.11711	2.9
185.09705	2.5
185.13234	7.7
187.11186	3.8
187.14822	9.2
189.16362	8.1
191.10670	55.2
191.14320	2.4
191.17963	15.4
192.11021	3.0
199.14821	4.7
201.12825	3.2
201.16380	6.5
203.17909	4.3
205.19534	2.5
211.14780	4.8
213.12733	4.9
213.16380	10.7
215.14320	7.8
215.17915	3.2
217.19466	2.8
219.13678	2.9
219.17505	2.1
221.15427	3.2
227.17990	6.0
229.19525	8.0
231.13864	2.9
233.15240	2.5
239.18013	2.5
241.19449	2.5
243.20917	3.8
253.19643	2.8
255.21115	2.9
269.19113	2.4
269.22583	3.1
301.21475	3.8
309.25705	4.2
323.27328	23.3
324.28171	11.2
365.32135	5.1
393.31268	19.6
411.17133	7.0
411.32416	100.0
412.32864	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	411.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.5
57.07079	4.7
66.77031	4.0
67.05509	27.2
69.07077	33.3
71.08626	5.7
71.32416	4.2
71.32804	6.3
73.45770	4.3
79.05502	17.3
81.07061	39.7
83.08614	6.2
89.06046	7.4
91.05482	17.3
93.07034	43.2
95.08611	83.6
95.09170	7.9
105.07026	44.7
107.08591	71.4
109.10152	50.8
111.08081	12.0
117.07009	6.3
119.08578	63.1
121.10143	96.2
121.10996	8.3
123.08090	5.5
123.11701	26.4
127.43869	3.9
129.06966	4.4
129.48601	4.9
131.08594	16.0
133.10130	61.1
134.10521	4.3
135.11708	30.5
137.13284	14.4
139.07541	5.2
143.08589	9.5
145.10074	25.7
147.11693	38.5
149.13246	12.4
157.10152	14.4
159.11719	33.0
161.13272	28.7
171.11716	15.0
173.13353	15.0
175.14835	11.7
177.16440	12.8
179.08527	11.7
183.11757	5.9
185.13290	9.4
187.14856	10.8
189.16429	19.5
201.16391	42.5
203.18001	18.9
213.16376	8.4
215.17931	10.0
217.19577	14.0
227.18126	7.9
229.19479	10.3
241.19510	5.3
243.21165	11.1
255.21028	5.6
301.21799	5.2
315.23279	13.3
321.25241	4.9
323.27402	16.2
324.27795	6.3
325.84009	4.6
327.23157	4.3
393.31693	9.4
411.16925	27.8
411.32501	100.0
412.32904	10.6
432.92975	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	411.3623
Annotation	5-Dehydroavenasterol
Peak:m/z	Relative Intensity
51.54696	1.8
55.05519	11.7
57.07078	8.6
67.05506	15.3
69.07070	22.2
70.53988	1.9
71.08633	6.5
77.43266	2.2
79.05499	14.0
79.10194	2.4
81.07064	39.7
83.08624	12.4
85.10191	3.7
86.09697	2.8
91.05484	10.7
93.07043	25.7
95.08610	52.4
95.09225	2.8
97.06565	3.7
97.10193	6.6
98.23396	4.3
101.36228	1.9
103.05451	2.0
105.07037	21.8
107.08596	41.2
109.10159	33.7
111.11743	5.4
117.07095	4.5
119.08574	24.7
121.10139	34.1
123.11721	16.5
130.90320	2.2
131.08569	12.3
133.10150	23.2
135.11717	20.0
137.13280	7.5
143.08591	3.1
145.10143	21.6
147.11703	19.4
149.13268	14.3
155.08655	2.7
157.10179	6.9
159.11690	14.8
161.13258	14.9
163.14861	9.7
169.10225	2.4
170.75247	2.1
171.11765	6.6
173.13284	11.7
175.14868	8.8
177.16444	9.3
185.13272	8.8
187.14842	15.1
189.16452	7.1
191.17975	4.6
193.15891	3.2
199.14923	6.3
201.04482	2.1
201.16420	12.2
203.18005	5.2
211.14832	2.4
213.16544	4.9
215.18080	8.8
217.19569	8.8
219.17410	2.1
225.16476	4.3
227.17979	2.8
229.19704	7.1
231.21172	7.5
237.82365	2.1
239.18037	4.3
241.19548	4.7
243.21085	4.5
245.19145	2.4
245.22737	7.5
247.20634	3.0
253.19571	5.2
255.21098	5.4
257.19159	3.3
259.20657	2.2
259.24182	2.7
269.22693	4.8
271.20764	3.7
271.24313	6.7
273.22400	3.2
283.23798	2.7
285.25949	7.4
295.24390	9.3
297.25778	4.4
309.25897	9.4
313.25262	16.2
315.27005	6.1
325.28741	4.9
327.27014	9.0
351.30469	2.5
393.35141	25.0
411.17316	4.0
411.36353	100.0
412.36600	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	412.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.01874	5.3
55.05517	2.9
55.63673	2.2
56.07484	2.1
65.03961	4.4
67.01882	5.0
67.05502	5.7
69.03433	9.5
70.52619	5.5
71.04999	12.3
72.08157	7.3
77.03908	3.0
79.05511	7.1
81.03413	5.9
81.07078	7.6
83.16173	2.1
85.02911	20.5
91.01836	15.4
91.05476	12.9
93.03433	3.9
93.07076	6.0
95.04981	4.7
95.08611	4.8
97.02917	3.6
103.05477	5.6
105.07053	8.0
107.08596	3.2
109.02882	3.3
109.06580	3.0
115.05470	23.6
117.03400	4.5
119.04977	3.6
120.08117	17.9
123.08089	2.8
127.03945	4.2
127.05453	20.7
127.07533	4.1
128.06215	20.3
129.06993	14.3
131.04942	3.2
135.11740	3.4
141.06990	22.6
142.07816	2.6
143.08630	3.1
145.04956	3.0
145.06531	3.9
145.10075	2.6
147.11700	4.0
152.06213	49.1
153.06999	100.0
154.05942	2.5
154.07820	19.8
155.04889	5.3
155.06064	6.7
155.08540	6.8
169.06499	7.5
178.07782	7.4
181.06511	3.3
182.07260	3.2
186.31662	2.8
197.09622	35.6
219.14920	6.6
222.02560	2.6
265.51157	2.3
333.92303	2.4
413.21417	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43694	1.1
53.03946	2.1
55.01868	7.7
55.05515	26.2
57.03438	17.0
59.04996	2.4
61.02937	15.0
69.03429	36.8
69.10323	5.2
69.10734	3.9
70.15701	1.0
71.01353	6.2
71.05006	2.2
72.86361	1.2
73.02921	83.6
73.71240	1.3
79.05508	1.8
81.03408	7.5
81.07053	2.3
83.04986	1.7
83.08624	38.7
84.08953	1.5
85.02908	100.0
86.03252	2.2
86.09715	1.3
87.04488	6.0
91.03955	4.6
93.07040	1.5
95.04975	1.4
95.08625	2.4
97.02896	57.1
99.04471	4.1
103.03962	3.7
109.02896	10.2
109.10186	1.3
115.03936	27.4
121.10142	1.5
121.57743	1.3
123.08096	2.2
127.03923	33.2
128.55324	1.3
133.04971	38.3
135.75331	1.2
145.04964	39.9
149.09654	1.3
150.07660	3.0
163.06018	24.6
176.65300	1.2
179.10732	1.6
193.04996	2.1
197.11800	2.1
209.11835	1.5
215.12784	4.2
217.07146	1.6
219.18295	1.4
223.06047	6.7
227.12825	2.9
241.07034	7.2
259.08084	7.3
295.10275	2.0
295.20734	1.3
412.20309	10.6
412.67966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	1.7
55.01874	9.1
55.05502	2.7
57.03434	15.9
59.04992	2.1
61.02929	16.3
62.55412	1.4
69.03428	32.1
71.01356	3.6
71.04990	4.4
73.02916	77.4
79.05508	1.3
81.03406	6.8
82.49194	1.2
83.04982	1.8
83.08605	5.1
85.02902	100.0
87.04452	3.9
88.65199	1.5
91.03950	4.4
97.02890	59.1
97.03515	3.2
98.03196	1.4
99.04450	4.2
103.03924	3.2
107.08572	1.2
109.02878	8.8
109.28985	1.2
111.04423	1.5
115.03931	29.6
121.06512	1.4
127.03918	27.7
129.09178	2.3
133.04965	33.1
139.07515	2.1
145.04945	42.5
150.07613	2.8
163.06024	20.4
188.59923	1.4
193.04933	2.1
197.11736	2.4
199.06015	1.6
215.12782	1.5
217.07048	1.5
223.05966	7.0
241.07152	8.4
245.14043	1.5
259.08099	8.5
295.10315	1.8
362.14124	1.5
412.20273	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56575	2.1
51.55823	1.8
53.03949	4.3
55.01875	9.2
55.05498	2.7
57.03443	16.7
61.02931	19.5
61.60412	1.7
65.03912	2.7
67.05491	6.5
69.03078	3.0
69.03432	37.0
69.06292	19.3
69.07069	4.9
69.60303	1.9
70.14819	1.7
71.01353	4.3
71.05000	9.2
72.08160	4.1
73.02920	61.0
74.29707	2.0
79.05495	8.8
81.03439	13.6
81.07061	6.1
83.04988	2.6
83.08618	2.9
85.02907	100.0
86.03230	2.7
87.04487	10.0
91.03986	4.2
91.05489	11.2
93.07069	3.0
95.04971	3.4
95.08630	2.2
97.02898	53.1
97.05950	2.1
97.06535	9.0
99.04454	8.8
101.02345	2.1
105.07030	5.5
107.08575	3.9
109.02852	11.1
109.06509	2.7
109.10149	5.3
115.03921	24.6
115.05435	2.5
117.07036	4.3
119.04933	10.0
119.08553	11.1
127.03915	37.2
128.06242	5.4
131.08553	3.6
133.04962	31.1
133.10088	3.1
137.09584	4.3
145.04964	46.4
145.06201	2.7
145.10098	3.0
146.06131	2.7
147.04407	5.6
147.07959	2.6
161.09605	2.5
163.06024	25.1
163.11194	3.5
165.09129	2.1
175.03923	8.6
187.05980	2.2
189.09137	3.1
193.04987	2.1
203.05376	2.8
207.06543	10.9
223.06053	5.5
241.07027	6.3
250.05411	2.4
259.08063	4.7
263.14825	3.4
295.10437	3.4
305.28619	2.0
412.11719	2.6
412.20337	60.9
413.17050	4.2
413.21533	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29395	0.4
56.96569	0.6
66.14456	0.4
69.03416	1.2
70.06588	1.4
71.04977	0.4
79.05499	0.6
81.03419	0.8
83.04957	0.4
85.02895	1.3
85.06586	0.5
91.05470	0.9
97.02907	0.4
105.84187	0.4
110.07162	0.5
111.19540	0.4
125.09230	0.4
127.03925	0.8
128.56921	0.4
136.06169	0.9
145.02864	0.6
149.80708	0.4
162.04108	0.7
177.05428	1.0
185.04242	2.0
189.05243	4.0
235.05933	0.6
250.08147	4.6
251.08887	7.1
281.09967	0.5
334.66483	0.5
413.14175	100.0
414.09583	0.6
414.14499	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	413.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.8
55.05513	1.0
55.32005	0.5
56.96824	0.6
69.03419	1.0
69.87743	1.8
70.06593	19.0
71.04985	1.4
72.08151	4.4
74.06083	1.4
81.03402	0.7
81.07027	0.6
83.04951	0.6
84.04496	1.1
84.08121	1.1
85.02901	1.1
85.97788	0.6
86.09710	1.8
91.05492	0.9
95.04987	0.6
98.06026	0.6
98.23325	0.7
105.07011	0.6
108.07390	0.5
110.07161	1.2
116.07102	4.1
117.07005	0.5
119.04962	0.6
120.06585	0.6
127.03938	0.6
136.06183	7.1
142.07759	0.6
143.66991	0.5
145.02788	0.6
145.06528	0.6
154.60510	0.5
155.08479	0.6
157.10162	2.5
159.11777	0.9
162.04126	6.1
163.03874	1.5
169.13338	1.6
171.11269	2.7
173.09317	0.6
175.03842	1.0
175.46109	0.5
177.05435	0.6
196.62599	0.5
197.12918	2.1
199.10800	4.1
206.08174	1.4
207.06596	1.4
213.12334	0.7
215.14093	1.1
217.11774	0.6
233.15376	1.1
234.07506	1.2
240.64998	0.6
251.16484	1.9
252.08733	0.7
268.91675	0.6
281.09897	3.6
298.17624	3.5
314.17078	1.2
395.22980	0.7
413.14142	100.0
414.14499	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	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75941	0.3
56.70347	0.4
57.30901	0.3
70.63315	0.4
70.63657	0.7
119.01929	0.5
120.08086	1.1
185.04225	2.3
205.04742	4.4
206.06636	0.5
250.08089	3.0
251.08916	8.3
309.09970	0.4
351.30515	0.4
413.14194	100.0
414.14511	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.01869	0.6
55.05501	0.4
55.18059	0.4
56.05024	1.1
64.52337	0.4
67.05525	0.4
69.03440	1.0
69.07066	0.9
70.06598	5.7
71.04994	2.0
71.30222	0.5
72.08168	1.2
74.06086	2.5
79.05502	0.6
81.03412	0.9
81.04218	0.4
81.07078	0.5
84.08181	0.4
85.02902	1.6
86.06149	0.4
86.09710	0.8
91.05478	1.2
93.07028	0.8
95.04965	1.0
97.02895	0.6
98.97576	0.5
102.05556	1.3
105.07031	1.4
109.02894	0.6
109.06534	0.6
115.05488	0.4
116.07097	1.3
117.07010	0.5
119.03550	4.1
119.04929	1.0
119.08553	0.6
120.06590	8.4
121.10120	0.5
124.07542	0.5
125.06047	0.4
127.03929	1.0
136.06194	100.0
137.04628	2.0
137.06532	1.5
142.08658	0.8
145.06464	0.6
145.10126	0.7
147.04475	0.6
151.07564	0.5
157.10005	0.5
159.11661	0.4
162.04121	61.8
163.04465	1.3
175.03873	1.1
175.11266	0.5
191.05728	0.5
199.10799	0.8
206.08058	1.0
207.06548	1.4
207.23936	0.4
213.12323	0.8
217.75809	0.5
233.15376	0.5
234.07718	0.8
240.87061	0.4
281.09955	45.3
282.10303	2.1
331.48767	0.4
366.31268	0.4
378.54172	0.5
413.09109	0.5
413.13919	1.7
413.17944	1.9
414.18033	0.5
417.69748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68263	0.6
53.73153	0.5
67.05539	0.6
69.03426	0.6
70.06590	0.6
70.46848	1.3
71.04991	0.6
72.30986	0.5
79.05503	1.0
81.07082	0.7
91.05468	0.5
95.04979	0.8
95.08618	0.7
105.07043	0.6
109.10162	0.5
119.08604	0.6
133.10114	0.6
137.05991	1.3
159.11757	1.0
161.13222	0.6
187.03763	0.8
202.06010	15.0
202.07762	1.0
203.06731	1.0
377.28134	0.7
413.15714	100.0
414.16116	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	413.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.3
53.03954	4.5
55.01875	4.0
55.05516	4.1
56.87294	1.3
57.03441	2.5
65.03959	3.8
67.05512	10.1
67.05817	1.7
69.03437	7.1
69.07076	1.9
70.06596	14.1
71.04995	100.0
72.08160	1.4
77.03925	3.9
79.05491	9.9
81.03411	7.4
81.07058	4.9
83.04977	3.0
83.08642	3.2
84.08131	1.7
84.56440	1.6
85.02896	10.6
85.06565	5.2
86.09708	2.5
90.20448	1.3
91.05479	21.0
93.03429	2.7
93.07052	4.5
95.04958	8.6
95.08627	1.6
97.02896	4.6
99.04473	2.2
101.09662	2.6
103.05471	6.8
105.03421	3.7
105.07014	10.7
107.04973	4.6
109.02898	3.9
109.06519	3.2
110.07145	1.6
113.06026	2.1
115.05451	13.3
116.06324	1.9
116.07085	3.1
117.07017	6.7
119.04956	4.6
121.06521	5.2
122.02579	1.3
123.04449	2.0
123.08070	3.2
125.05958	1.7
127.03904	4.0
128.06219	10.8
129.07045	4.6
131.04936	4.7
131.08549	2.4
131.14383	1.4
133.06531	4.2
133.10117	1.7
135.08055	2.0
136.06169	11.3
141.07005	5.0
143.08528	2.7
144.05678	2.2
145.05064	1.5
145.05420	1.9
145.06483	14.2
145.08556	7.0
147.04427	4.8
147.08084	2.1
149.05966	3.6
150.05467	2.6
153.07011	4.6
154.07761	2.8
155.08530	1.5
159.11650	1.6
161.06012	5.0
162.04135	6.1
163.03932	2.2
163.07549	2.5
165.05478	1.7
169.10098	1.6
171.08076	5.1
173.09579	2.4
175.03984	2.0
187.11166	2.1
207.06566	2.5
208.06204	1.5
213.12332	2.8
215.10669	16.5
233.11716	3.6
239.22540	1.3
281.10001	3.9
396.09167	2.1
409.62189	1.6
413.05087	1.9
413.13571	10.3
413.18359	5.3
414.09613	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	413.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40708	4.4
53.03941	9.6
54.37871	4.3
55.01870	10.2
55.05504	17.8
57.03434	8.2
61.02904	7.4
65.03934	9.3
66.98162	4.4
67.05505	34.4
68.99798	10.8
69.03436	21.6
69.07058	16.6
69.09193	37.4
70.06567	4.9
71.04999	100.0
73.02911	4.6
79.05498	39.2
81.03425	21.9
81.07061	58.0
83.04970	13.0
83.08662	5.1
85.02894	32.5
85.06544	25.6
86.09705	11.8
87.00833	6.1
91.05479	31.9
93.07056	38.8
95.04960	44.1
95.08588	13.7
97.02891	12.8
97.06541	21.2
98.22633	8.6
99.04470	8.5
103.05475	4.9
105.07041	35.0
107.04916	5.8
107.08574	29.2
109.02872	13.3
109.06522	41.4
109.10174	6.8
111.04430	12.2
113.06017	9.8
115.05453	5.4
117.07028	12.3
119.04945	9.2
119.08582	30.8
121.06499	18.5
121.10167	28.7
121.10906	4.5
123.04413	8.4
123.08075	15.4
123.11688	4.6
125.05996	6.9
127.03936	13.3
127.07570	14.6
128.06232	7.8
129.01851	5.1
129.07001	10.2
131.08577	16.8
133.10132	19.4
135.04439	6.0
135.11707	5.1
137.05978	19.8
137.09618	8.5
145.04913	5.2
145.06447	10.3
145.10121	33.2
147.04401	8.9
147.08051	11.4
147.11664	9.9
149.09555	13.0
151.07555	7.4
155.07016	9.5
155.08438	4.5
159.08060	7.7
159.11659	18.6
161.05949	6.0
161.09607	12.6
163.07544	5.9
163.11200	14.4
165.09114	10.3
165.12799	11.3
167.10661	10.0
171.08034	5.8
173.09618	10.9
175.03847	5.5
179.10660	5.9
187.11224	18.5
191.10678	13.7
205.12302	8.6
207.06595	9.9
209.11722	8.7
215.10722	27.6
233.11728	18.8
233.15379	9.0
251.12802	19.9
269.06418	6.4
273.14716	5.9
335.11258	8.1
395.13034	9.0
406.79517	4.8
407.28702	4.4
413.17755	42.0
413.25275	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	413.1804
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03941	6.2
55.01868	6.7
57.03426	2.9
61.02934	2.7
65.03942	6.6
67.05493	6.3
68.41803	1.7
69.03439	9.9
70.06590	4.5
70.75871	3.9
71.04993	5.6
72.08152	2.8
73.02913	2.6
79.05502	6.5
81.03423	9.8
81.07055	6.0
85.02907	11.3
85.06544	2.6
86.09702	2.7
90.91180	1.8
91.05484	45.2
93.07031	4.4
95.04964	9.4
97.02915	4.8
97.06576	2.5
101.87734	1.7
103.05460	6.3
103.33423	1.8
105.07014	5.2
107.04955	2.9
107.08592	4.1
108.05345	2.3
109.06506	4.0
115.05466	18.6
117.07019	6.0
119.04949	41.1
119.08605	3.0
121.06466	1.9
121.10130	3.7
127.03922	5.8
127.05477	2.1
127.07612	2.1
127.97066	1.8
128.06226	26.5
129.07045	12.4
131.04895	2.9
131.08574	4.0
134.05917	1.9
137.05962	2.2
141.07011	12.6
143.08546	2.5
145.06494	4.3
145.10103	3.0
147.04402	38.6
148.04794	2.0
149.05896	1.9
151.07582	1.9
152.06169	3.2
153.06993	10.8
154.07806	10.1
155.06064	2.8
155.08549	5.3
157.03955	3.3
162.05518	4.4
171.08028	3.0
173.05905	2.1
175.03908	61.3
176.04305	3.0
178.07864	1.8
179.07083	3.3
179.08553	3.1
192.04205	2.7
197.09668	10.1
207.06482	100.0
208.06332	3.8
215.10663	8.1
233.11555	2.1
251.12822	2.2
279.08508	3.6
354.63986	1.8
395.09720	8.3
413.12930	3.7
413.17773	7.5
413.24484	1.9
414.13635	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	413.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01871	7.7
55.05518	17.4
57.03431	5.4
67.05505	13.7
69.03426	11.6
69.07050	5.0
70.06590	35.2
71.04994	100.0
71.30737	4.9
72.08156	5.2
73.02919	7.5
79.05502	12.7
81.03437	12.4
81.07059	5.6
83.08615	37.3
85.02917	26.5
85.06548	10.4
86.09711	7.6
91.05481	28.0
93.07066	5.9
95.04979	13.8
97.02908	13.1
101.09654	28.0
103.05472	9.0
105.03464	5.2
105.07037	16.3
107.04932	5.4
107.08613	5.4
109.02853	6.6
110.06099	4.5
115.05453	20.6
116.07089	10.5
117.07029	9.8
118.07367	4.1
119.04915	9.6
119.08587	5.9
119.10709	14.0
120.03948	3.8
123.03174	4.3
127.03923	7.8
128.06224	5.3
129.06958	5.3
131.04955	5.2
131.08545	3.9
133.06517	4.7
136.06122	22.2
137.05995	4.7
141.06926	7.4
142.08717	4.7
145.06459	11.1
145.10187	7.0
147.04410	9.2
147.11757	5.0
150.07814	6.7
161.09541	4.7
162.04164	16.9
163.07504	5.5
171.08034	8.1
187.11240	7.5
199.10852	7.0
207.06599	11.5
213.12317	8.3
215.10771	13.9
260.97610	4.2
281.09912	9.0
396.09467	4.3
413.13715	22.4
413.23145	5.5
414.09964	13.9
426.13214	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	413.3049
Annotation	Sargachromanol C
Peak:m/z	Relative Intensity
55.01870	2.0
55.05516	7.3
57.03426	2.7
57.07085	1.6
59.04990	1.6
65.03977	1.3
67.05505	12.3
69.03440	3.9
69.07071	11.8
71.04989	1.6
71.30515	1.5
75.47984	1.0
78.75939	1.1
79.05502	11.2
81.07061	22.0
83.04995	1.6
83.08620	4.4
85.06546	1.7
90.90533	1.2
91.05482	11.5
93.07052	26.6
95.04973	2.9
95.08614	28.6
97.06552	3.3
97.10191	2.2
99.04412	1.3
99.08091	2.5
100.02500	1.2
105.07035	18.9
107.04966	1.2
107.08596	33.5
108.08920	1.7
109.06528	4.3
109.10163	16.7
111.08053	1.8
113.06057	1.3
117.07031	2.6
119.08587	39.7
120.08962	1.3
121.06560	3.8
121.10149	48.0
121.11016	2.8
122.10472	1.6
123.08070	5.9
123.11727	17.5
125.09657	1.6
129.06999	2.8
131.08574	6.9
133.10136	28.3
134.10414	1.5
135.08076	4.3
135.11699	35.5
137.09579	3.2
137.13281	2.4
143.08574	4.9
144.09305	1.6
145.10133	14.5
146.10551	1.9
147.08075	2.9
147.11700	19.9
149.09650	1.7
149.13275	7.0
151.07526	3.0
151.11130	2.8
151.14877	1.5
155.08531	2.0
157.10158	4.8
159.11705	10.3
161.09627	2.4
161.13240	10.3
163.11186	13.8
163.14830	9.6
165.12863	1.8
169.10136	1.9
171.11716	4.2
173.09674	3.3
173.13264	6.9
175.11215	3.6
175.14861	6.5
177.12823	3.2
177.16425	3.0
179.10753	1.2
179.14395	2.1
181.10199	1.8
183.11708	3.2
185.13290	2.8
187.11180	1.7
187.14847	6.8
189.12822	3.6
189.16389	55.5
190.16783	3.1
191.10687	51.9
191.14352	2.8
191.17924	1.5
192.11070	1.5
193.12270	1.3
199.14876	3.2
201.12798	2.1
201.16345	2.8
203.14311	1.8
203.17950	1.7
207.17458	60.8
208.17848	3.7
209.11736	11.6
209.13329	1.5
211.14717	1.5
213.16425	3.4
215.17833	1.5
217.19530	5.2
219.13834	3.9
227.18010	1.6
233.15329	1.9
237.16409	1.7
241.19421	1.3
253.19775	1.5
255.17543	1.6
255.20992	1.4
259.17053	2.0
261.18509	1.5
261.22137	2.8
273.18564	3.2
273.21954	1.5
313.21631	1.4
377.28455	3.4
395.29541	7.6
413.30554	100.0
414.31039	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	413.3415
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
52.15720	1.4
53.03941	1.9
53.67416	1.0
54.57019	1.0
55.05511	15.6
57.07075	6.2
59.05014	1.2
65.03931	2.6
67.05508	18.1
69.03433	1.1
69.07066	25.1
69.10973	6.9
69.11385	2.4
71.04994	2.2
71.08622	2.7
75.05500	1.1
78.94864	1.0
79.05491	11.8
81.07059	39.2
82.07398	1.3
83.08614	19.3
85.06524	1.6
91.05476	17.9
93.07047	36.5
95.04966	2.8
95.08608	72.0
96.08952	2.2
97.06522	2.9
97.10177	4.8
99.04522	1.6
99.08100	2.2
103.05417	1.6
105.07029	49.7
105.45472	1.0
106.07388	1.8
107.05006	1.4
107.08596	66.6
108.08922	1.6
109.06512	5.3
109.10153	44.0
110.10514	1.5
111.08099	2.1
111.11742	2.3
117.07033	4.0
119.08581	64.5
120.08934	3.5
121.10144	100.0
122.10509	2.7
123.08092	5.4
123.11710	42.0
125.05943	1.2
125.09605	3.0
125.13271	1.4
131.08571	8.9
133.10126	43.5
134.10518	1.6
135.08046	3.8
135.11697	45.2
136.12035	1.2
137.09665	3.3
137.13249	10.8
139.07610	2.0
139.11191	8.2
143.08595	2.2
145.10114	11.8
147.11687	41.2
148.11960	2.7
149.09645	1.4
149.13261	17.0
151.11160	1.7
151.14813	13.6
153.09096	3.4
155.10704	1.4
157.10126	2.6
158.10843	1.2
159.11691	15.6
161.09622	2.3
161.13251	25.1
162.97330	1.1
163.11200	2.2
163.14824	13.3
167.10667	19.0
167.14308	2.4
169.12239	2.9
171.11752	4.2
173.13222	9.3
175.14822	12.2
177.12843	2.4
177.16379	51.5
178.16719	2.2
179.14175	1.3
181.12148	1.3
185.13242	2.3
187.11195	1.7
187.14854	7.0
189.12833	1.9
189.16393	53.5
190.16753	2.6
191.14311	1.9
191.17949	60.9
192.18292	3.1
195.13872	2.6
195.17464	2.3
197.15393	2.3
199.14781	2.1
201.16379	20.8
203.17950	78.4
204.18336	3.8
205.15904	3.7
205.19585	2.4
207.13712	2.0
208.92894	1.2
209.15294	2.1
213.16458	1.6
215.18001	1.7
217.19493	8.6
223.16924	28.6
224.17343	2.2
227.17934	1.8
229.15996	1.9
229.19527	1.8
231.21103	2.7
233.15363	2.8
243.21207	6.3
245.22566	2.0
249.18536	1.2
253.19621	1.3
271.20444	1.3
273.22110	1.9
289.18042	1.9
303.23502	1.5
311.27576	1.2
317.24716	2.0
329.24719	2.4
331.26318	1.3
367.33780	1.5
377.28052	1.6
395.28854	8.8
395.33591	3.4
413.34500	61.2
414.35019	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	413.3414
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03951	1.1
55.05516	12.4
55.92081	1.1
57.07081	6.3
60.94976	1.2
67.05505	14.9
69.07069	27.1
69.18777	4.5
69.19216	3.7
71.08652	1.3
79.05493	15.0
81.07059	38.2
83.08620	10.8
91.05482	11.4
93.07042	38.9
95.04957	2.5
95.08609	51.8
97.10165	7.0
105.07024	21.1
106.07344	1.2
107.08599	61.4
109.06521	2.1
109.10153	36.7
111.11736	3.5
117.07027	2.3
119.08583	28.5
121.10146	54.3
122.10442	1.9
123.08136	1.3
123.11710	62.7
124.12109	1.8
125.09651	1.3
125.13212	1.6
131.08617	3.4
133.10136	23.4
135.08040	1.2
135.11697	58.6
136.12027	1.7
137.13242	6.6
145.10147	5.2
147.11688	22.4
149.13252	27.4
151.14830	2.5
157.10201	1.7
159.11656	6.0
161.13243	17.4
161.14388	1.6
163.14822	25.7
164.15187	1.1
165.16373	1.1
170.52753	1.1
171.11803	1.5
173.13332	4.4
174.14043	1.3
175.14824	23.3
177.16385	12.8
178.16743	1.5
179.14322	1.3
189.16377	9.0
191.17961	16.7
192.18402	1.4
193.15962	1.7
193.19478	1.1
195.13882	2.0
197.15460	2.4
201.16405	6.2
203.17921	7.0
205.16031	1.2
205.19603	2.5
207.13684	1.5
208.90341	1.1
213.33612	1.2
215.18054	4.5
217.19521	58.4
218.19955	3.4
219.21091	11.0
221.15373	7.4
223.16885	1.6
231.21114	2.3
243.21172	2.0
251.20146	3.1
265.21603	4.1
271.20718	2.0
273.25763	2.8
273.63602	1.1
289.21716	3.6
317.25113	2.0
319.26401	3.0
331.26236	1.8
343.26309	2.6
357.27847	1.9
367.33710	3.7
395.33252	3.0
413.34201	100.0
414.34601	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	413.3416
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
50.56839	1.0
53.03945	2.6
55.01865	1.4
55.05513	13.7
56.51301	1.1
57.07082	7.3
62.56027	1.2
65.03935	3.1
67.05507	20.9
69.03420	1.5
69.07072	31.7
69.58656	4.8
71.05008	1.4
71.08646	2.1
79.05498	20.8
81.07058	53.5
82.07423	1.2
83.04998	1.3
83.08614	13.9
85.06532	3.6
91.05485	22.3
93.07048	55.6
95.04984	5.8
95.08610	72.3
96.08949	2.2
97.06533	1.9
97.10165	7.5
98.23294	1.3
103.05468	1.5
105.07034	37.0
107.08598	79.8
108.08886	1.7
109.06541	2.7
109.10159	47.0
111.08078	2.8
111.11755	6.5
113.06009	1.1
117.07050	3.7
119.06110	1.4
119.08581	49.6
119.09447	2.4
120.08894	1.8
121.10147	93.7
122.10471	2.2
123.08075	4.5
123.11711	86.6
124.12041	3.6
125.09604	1.5
125.80648	1.1
129.07007	1.8
131.08580	5.9
133.10130	38.1
135.08073	2.4
135.11694	67.0
136.12027	1.7
137.09615	3.4
137.13254	7.7
143.08559	1.9
145.10127	11.6
147.11688	30.8
148.11955	1.3
149.09622	2.2
149.13257	32.6
150.13660	1.3
151.07602	1.8
151.14841	4.1
153.09137	1.7
157.10133	3.4
159.11697	11.2
159.29143	1.2
159.78506	1.1
160.12483	1.0
161.09633	2.0
161.13258	26.2
163.11166	5.0
163.14819	38.1
164.15199	1.5
165.09062	1.5
171.11693	3.4
173.09659	2.1
173.13251	8.1
175.11205	1.6
175.14816	25.8
177.12839	2.7
177.16388	20.9
179.14294	2.1
183.11789	2.1
185.13254	2.4
187.14857	5.2
189.12743	2.0
189.16391	23.2
190.16747	1.4
191.10654	14.7
191.14334	1.6
191.17955	21.4
192.18321	1.6
193.15880	2.2
193.19383	1.4
195.11829	1.6
195.13782	2.5
197.15414	3.8
199.14841	2.1
201.16412	9.7
203.17931	8.2
205.15964	1.8
205.19568	3.6
207.17436	16.0
209.11713	1.6
209.15340	2.1
211.14830	1.6
213.16328	1.5
215.18015	6.5
217.19518	65.7
218.19839	3.7
219.13809	2.5
219.21075	19.0
221.15373	8.9
223.16936	1.7
233.15421	1.6
233.18990	1.5
243.21271	2.9
251.20071	4.7
255.20964	2.6
265.21628	5.6
273.22086	2.1
279.23141	1.2
289.21585	2.2
305.24747	1.6
312.49146	1.5
317.24762	4.8
319.26437	3.0
343.26282	4.5
354.39847	1.1
357.27924	3.1
367.33588	3.9
371.29684	1.2
395.29367	3.1
395.33334	3.0
413.34564	100.0
414.34979	12.0
423.64709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.7
55.05511	15.7
55.05722	1.5
56.40844	1.3
56.96580	2.5
57.07096	5.2
59.04990	1.6
64.61628	1.2
65.03970	1.6
66.33613	1.5
67.05513	18.1
68.42860	1.6
69.03448	4.0
69.07067	27.8
69.65498	7.8
71.08655	4.8
79.05497	15.0
80.05827	1.5
81.07051	36.5
83.05009	2.6
83.08613	22.6
85.06551	3.3
91.05481	21.9
93.07045	37.0
95.04967	2.7
95.08611	66.6
96.08978	2.2
96.92233	2.0
97.06573	3.0
97.10157	7.7
99.08138	5.1
105.07030	43.9
107.08603	59.0
108.08967	1.9
109.06554	2.8
109.10159	42.4
111.08125	3.7
111.11810	2.2
112.22103	1.2
117.07076	3.3
119.08583	57.2
120.08965	1.5
121.10144	100.0
122.10531	3.5
123.08130	4.2
123.11704	39.5
125.06091	1.7
125.09689	4.0
129.07019	2.6
131.08554	8.5
133.10129	41.1
135.08109	4.3
135.11687	43.8
136.12195	1.6
137.09663	3.7
137.13257	9.4
139.07610	3.6
139.11186	10.5
143.08585	3.4
144.09290	1.8
145.10121	13.9
147.08115	2.0
147.11678	38.7
149.09642	2.9
149.13266	14.5
151.11171	2.1
151.14850	9.3
153.09215	4.4
154.79228	1.7
155.08717	2.5
155.10831	2.2
157.10217	4.8
159.08128	2.6
159.11697	21.2
160.12688	1.5
161.09711	3.0
161.13281	14.9
163.11258	3.7
163.14842	11.2
167.10675	21.0
167.14317	2.2
169.12341	2.8
171.11816	4.6
173.13254	7.9
175.11276	3.7
175.14822	13.7
177.12930	4.4
177.16389	58.1
178.16765	2.5
183.11739	2.5
185.13348	3.7
187.11311	1.7
187.14790	7.9
189.12785	2.8
189.16383	53.8
190.16823	2.8
191.14342	2.9
191.17946	63.1
192.18405	3.6
193.12331	1.7
195.13930	2.0
195.17531	2.8
197.13681	1.7
197.15480	2.3
199.11365	1.7
199.14995	1.7
201.16389	17.3
203.10788	1.8
203.17958	61.2
204.18373	3.2
205.16014	4.8
205.19624	1.9
207.13963	1.7
207.17558	3.8
209.13440	2.4
209.95523	1.4
213.16710	1.6
215.14474	2.6
215.17986	3.0
217.15990	3.3
217.19684	4.9
221.13446	1.6
223.16902	27.6
224.17427	3.3
227.18106	1.5
229.19820	1.5
231.13766	1.6
231.21280	3.5
241.19499	1.6
243.21136	2.9
245.22740	1.9
285.18744	1.5
315.16522	4.4
333.17429	7.0
353.24829	2.8
367.26505	2.1
367.33783	2.0
386.58307	1.4
395.29446	3.2
395.33804	3.7
413.27017	5.2
413.30334	4.1
413.34485	52.7
414.27097	1.8
414.34863	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	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
54.48841	2.5
55.05516	79.5
57.03444	27.5
57.07084	65.6
59.04999	4.2
59.76288	2.6
66.03458	2.4
67.05177	3.8
67.05508	43.9
69.03438	6.6
69.07074	100.0
71.04987	4.6
71.08632	45.6
71.31982	3.7
79.05502	20.2
81.07065	67.5
83.04978	3.7
83.08627	69.4
85.06549	4.6
85.10184	23.6
91.05492	11.5
91.39480	2.9
93.07049	40.9
93.10951	2.7
95.04939	3.5
95.08617	68.3
96.08929	3.4
97.06534	11.6
97.10173	43.3
99.04473	6.9
105.07045	16.2
107.08611	32.6
108.40927	2.7
109.10159	38.9
111.08069	16.6
111.11695	15.0
115.07618	3.5
115.08736	2.6
117.06933	3.1
119.08597	20.3
121.10149	36.4
123.11725	23.0
125.09634	13.2
125.13270	4.6
129.09167	3.8
131.08563	7.2
133.10158	12.7
135.08107	2.8
135.11719	27.0
137.13297	12.1
139.11203	11.2
145.10135	9.4
147.08101	3.5
147.11691	7.9
149.13257	20.1
151.14830	4.2
153.12709	4.7
159.11699	6.6
161.09663	5.7
161.13295	8.7
163.11179	3.6
163.14833	13.0
167.14342	7.8
171.11595	4.3
173.09627	3.0
173.13298	4.2
175.14871	6.8
177.16481	7.7
187.14816	7.6
189.16415	5.6
191.18030	5.7
203.17900	4.3
205.19533	4.8
217.91841	3.2
303.30487	11.6
305.25488	3.1
321.31522	16.9
367.29770	3.5
395.29282	7.9
395.35028	12.2
398.15488	4.0
399.16272	4.7
411.16013	4.8
412.17331	4.7
413.12769	6.1
413.17993	45.7
413.30432	22.8
413.36118	98.0
414.18103	11.8
414.36258	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	413.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.5
53.96587	2.9
54.38823	2.7
55.05513	25.9
57.07065	11.7
64.13481	2.8
67.05509	30.4
69.07072	43.9
71.04996	17.4
74.52959	3.6
79.05493	18.7
79.63370	3.2
79.71223	3.4
81.07063	88.0
83.08645	18.3
91.05481	11.5
93.07050	48.2
95.04963	3.9
95.08606	100.0
97.10172	15.0
99.08090	3.6
105.07037	25.1
107.08597	47.6
109.09451	5.7
109.10155	75.9
111.75449	3.9
114.91114	3.6
119.08580	32.0
121.10146	48.2
121.26205	2.9
123.11716	45.7
127.11202	17.1
131.08603	5.5
133.10117	22.9
135.11690	46.3
137.13226	15.8
145.10057	6.7
147.11707	16.1
149.13266	39.8
151.92317	3.3
153.12711	5.0
157.10167	3.9
159.11766	5.3
161.13301	18.3
163.14778	27.2
165.16315	4.0
173.13300	5.6
175.14822	12.8
177.16368	20.4
187.14772	4.8
189.16455	17.1
191.17984	13.8
201.16331	5.0
203.17999	15.8
205.19470	3.4
206.89304	4.1
215.17932	4.7
217.19513	12.6
229.19461	4.2
231.21004	5.7
245.22733	14.1
247.24155	5.6
327.30536	6.8
331.29858	6.2
343.29733	3.7
360.77744	3.3
395.29224	3.9
395.36710	9.1
413.32559	16.5
413.37750	50.9
414.33487	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01865	4.1
55.05520	3.1
67.05501	3.7
69.03431	3.4
69.07059	2.2
70.06589	5.1
70.67842	6.0
71.04990	8.6
72.08171	3.1
74.88416	2.2
79.05491	5.6
81.07037	3.6
81.83428	2.3
82.74218	2.4
83.04962	3.0
83.07980	2.3
84.08121	2.5
85.02910	2.9
86.09697	8.4
87.06764	2.2
91.05478	6.1
95.04974	3.5
97.02863	2.5
97.06533	3.4
103.05446	2.6
105.07053	5.4
107.04929	7.0
115.05458	4.7
117.07031	2.8
119.04929	2.4
128.06239	8.0
129.06998	4.8
133.10172	2.2
137.05981	6.3
141.06943	3.9
156.05676	5.1
159.08002	3.7
167.07054	9.6
174.06793	4.9
181.04895	5.6
184.05200	17.9
199.07555	100.0
200.07867	4.8
217.08665	17.5
217.15799	2.3
224.06511	2.5
233.87859	2.4
253.14314	3.5
262.88800	2.7
268.43597	2.3
273.11215	4.0
397.16452	6.5
415.19653	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	414.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80940	2.5
55.01874	12.5
56.05027	2.5
56.96572	8.2
57.03437	17.2
61.02939	13.7
68.46314	2.4
69.03432	36.6
70.06605	20.0
71.05025	2.5
71.30402	4.3
71.30790	2.5
72.18776	2.2
73.02922	67.0
74.78465	2.6
81.03435	8.6
83.31871	2.3
84.04510	2.9
84.08160	8.6
85.02911	100.0
85.06547	12.9
86.09702	5.9
87.04495	5.6
91.03982	3.6
97.02900	52.8
97.39134	2.5
98.97585	32.2
99.04441	5.0
109.02898	9.0
109.06562	3.0
110.07195	2.8
115.03939	25.6
116.98640	24.4
125.06065	2.6
127.03931	27.4
129.10281	9.8
133.04985	42.2
134.99695	8.7
136.06229	5.1
145.04956	44.1
153.09201	2.9
163.06044	20.9
165.01866	2.5
173.09244	7.0
175.07526	4.9
181.04881	2.9
199.09641	13.5
213.05670	2.4
217.11067	2.8
223.06065	6.1
229.10759	4.1
232.96503	2.7
237.02954	3.0
241.06950	6.0
256.96683	3.6
259.08167	9.0
274.97504	36.7
292.98596	23.8
295.10190	5.6
373.04303	3.7
414.14508	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00847	4.3
53.03947	22.1
55.01875	17.9
55.05509	15.1
57.03432	11.2
60.19027	4.5
61.02929	10.6
65.03943	13.1
67.05505	30.0
69.03431	33.2
69.07061	12.4
69.10012	31.0
69.10416	10.9
70.06602	7.8
71.04990	56.4
79.05492	83.5
80.59512	4.1
81.03429	14.3
81.07066	17.4
82.23250	4.7
83.04971	29.0
85.02908	69.0
87.04459	4.9
91.05479	100.0
91.06004	9.1
93.03406	10.5
93.07043	28.2
95.04968	78.3
95.08614	7.1
97.02891	17.8
97.06544	36.5
99.04446	11.5
102.04684	5.5
103.05495	19.7
105.04515	5.6
105.07039	52.2
107.04954	34.6
107.08604	9.9
109.02886	38.6
109.06544	7.8
115.05443	55.9
115.07545	5.1
117.07030	44.7
119.04965	7.5
119.08593	18.1
121.06515	19.1
123.04449	9.6
127.03925	8.9
128.06226	78.9
129.07021	72.9
131.04994	7.4
131.08585	18.6
133.06474	12.7
133.10178	4.9
135.08069	14.1
137.05988	7.4
139.07527	5.1
141.06976	35.0
142.07779	31.5
143.08563	29.4
145.06534	24.8
145.10132	10.5
147.08064	14.4
147.11691	9.2
149.09651	7.1
152.06206	7.4
153.07019	18.0
154.07829	11.2
155.06023	5.9
155.08572	28.7
156.09409	7.6
157.06512	8.6
157.10124	17.3
158.07193	9.7
159.07938	9.6
163.11195	7.1
165.06989	31.9
166.07802	18.4
167.07080	9.4
169.06511	6.7
171.08080	25.3
173.09671	12.5
175.07681	4.5
175.11197	6.2
181.04942	10.3
183.08081	5.4
193.12277	7.1
199.11172	31.5
217.12288	13.2
233.06224	4.9
235.13412	5.3
252.16051	4.8
355.67368	4.0
435.26105	4.6
435.31946	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	414.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01862	8.3
55.77226	4.2
59.83807	4.4
65.03943	20.6
67.05511	17.4
69.03429	11.8
70.50327	10.1
70.50680	5.0
71.04994	19.4
79.05482	28.4
81.03421	9.4
81.07085	5.1
85.02884	26.1
91.05488	33.3
93.03410	41.0
93.07064	6.6
95.04967	5.1
97.02894	6.7
102.13892	4.5
103.05471	19.4
105.07045	20.2
115.05445	36.1
117.07021	13.3
123.08115	6.7
127.05500	5.9
128.06232	100.0
129.07007	77.1
131.04910	5.4
131.08583	10.3
141.06998	11.8
142.07759	16.4
143.08540	17.4
145.06511	18.4
152.06206	6.2
153.06990	45.3
154.07774	19.8
155.06041	16.1
155.08588	60.3
156.09299	7.9
157.06502	18.9
157.10190	7.9
165.06996	17.1
166.07806	8.6
169.06474	5.2
171.08038	7.5
181.76233	4.2
199.11162	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87857	7.1
53.03949	25.0
55.01874	20.5
55.05510	10.7
57.03451	11.4
61.02928	8.0
65.03939	12.2
67.05518	37.4
69.03423	39.4
69.07072	15.7
69.18166	42.4
69.18583	21.8
71.04993	44.1
79.05494	96.8
81.03415	19.4
81.07050	10.7
83.04976	43.5
85.02911	85.9
91.05491	100.0
93.07026	21.7
95.04976	99.2
97.02885	21.9
97.06541	42.9
99.04463	8.2
103.05480	21.3
104.57590	8.2
105.07040	48.5
107.04942	56.0
107.08630	8.5
109.02914	45.7
109.06497	9.7
111.08117	12.2
115.05463	58.0
116.06252	9.4
117.07026	59.5
117.74336	6.6
119.04953	10.1
119.08576	22.6
121.06485	19.4
121.10165	7.4
127.03877	12.1
128.06229	86.9
129.07033	92.6
131.08548	40.0
133.06549	10.0
135.08076	16.5
141.07010	51.3
142.07790	24.3
143.08571	26.2
145.06497	15.3
145.10156	13.1
146.34184	8.3
147.08046	24.0
152.52318	8.1
153.06917	21.4
154.07748	12.6
155.06041	14.1
155.08548	22.4
156.09253	11.0
157.10216	21.0
159.08049	19.8
165.07005	29.9
166.07776	15.3
171.08080	31.2
181.04950	31.4
185.09503	9.8
195.06578	14.5
197.90491	7.6
199.11200	13.9
217.12268	15.3
401.62619	8.1
415.14554	13.9
415.22858	33.7
424.50119	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	414.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	13.6
55.01868	19.7
55.05513	16.0
55.14763	5.2
58.34086	4.9
65.03948	13.3
67.05508	21.9
67.97319	4.9
69.03434	19.6
69.07060	9.8
70.06577	4.8
71.04995	100.0
73.31734	5.4
79.05500	38.6
81.03416	9.2
81.07056	19.5
83.04980	10.2
85.02896	20.7
87.77503	5.2
88.88834	5.9
91.05479	85.7
93.07066	18.6
95.04975	17.5
95.08621	14.9
97.02899	6.3
97.06541	14.3
98.22520	7.8
103.05488	17.0
105.03384	9.3
105.07033	69.2
107.04967	17.3
107.08585	8.5
109.06544	6.0
109.10140	6.5
115.05473	33.7
117.07035	51.7
119.08600	22.2
121.06482	13.1
128.06230	59.9
129.07028	46.7
130.07816	7.0
131.04897	11.3
131.08592	26.0
133.06526	30.4
133.10144	8.5
134.83922	5.8
135.08063	8.8
137.05989	6.3
141.07024	26.3
142.07784	14.8
143.08548	37.0
145.05420	6.3
145.06496	38.0
145.10138	22.8
147.08038	32.1
153.06947	13.4
154.07811	6.5
155.06052	10.2
155.08618	12.9
157.06512	13.0
158.07303	14.8
159.08115	7.0
161.06009	8.4
161.09634	21.0
161.37346	6.5
163.07587	6.2
165.06995	7.8
171.08002	26.0
171.11696	6.8
173.09642	28.9
175.07559	9.7
181.04974	50.6
189.09163	18.1
195.06552	7.0
214.18097	5.7
217.12189	39.1
230.05681	6.1
415.14447	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	414.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.4
53.62766	4.6
55.01871	22.7
55.05505	15.7
57.03431	14.9
59.04998	5.6
61.02935	7.6
62.57279	4.8
65.03942	12.9
67.05511	25.9
69.03431	46.9
69.07075	27.6
70.06602	11.4
71.04990	100.0
71.57697	4.7
72.08143	12.1
73.02917	30.6
74.35062	5.2
77.03949	5.5
79.05499	56.6
81.03413	32.1
81.07064	40.4
82.04217	5.6
83.04980	18.4
83.08623	11.8
85.02904	86.9
85.03378	9.9
85.06533	7.3
86.09714	17.7
87.00831	12.6
91.05476	49.9
93.07039	30.2
95.04951	33.8
95.08617	21.9
97.02903	37.9
97.06542	27.6
99.04459	8.6
103.03925	6.3
103.05453	30.7
105.07027	37.2
107.04942	35.1
107.08597	26.3
107.48079	5.3
109.02885	24.4
109.06509	16.9
109.10164	18.1
111.08076	20.8
115.03941	13.8
115.05470	30.3
117.06997	12.7
119.04901	5.6
119.08609	17.4
121.06506	14.9
121.10160	13.9
121.64540	4.5
123.04391	8.6
123.08086	8.4
123.11708	6.8
125.05988	6.4
127.03911	47.8
128.06224	67.9
129.07025	62.2
131.04938	7.1
131.08578	15.9
133.04961	16.0
133.10120	18.6
135.08044	10.8
137.05943	8.9
137.16348	4.8
139.07613	6.5
141.06987	20.8
142.07803	16.3
142.21323	4.8
143.08553	20.0
145.05003	20.0
145.06511	16.5
145.10115	14.3
147.08090	11.6
147.11678	14.7
149.09662	18.4
152.06171	6.7
153.06979	17.5
154.07701	6.7
155.06003	11.5
155.08575	20.1
157.06508	17.6
157.10104	10.4
161.09618	6.5
161.13297	5.6
163.05980	6.5
163.07552	6.9
165.07059	23.2
165.12682	6.0
166.07768	16.8
167.07034	49.6
169.12257	12.9
171.08076	8.8
171.11578	7.3
173.09659	8.7
175.11209	8.8
181.04970	32.4
187.11148	6.4
189.12686	6.8
193.12267	8.5
199.11174	8.7
201.05392	6.3
205.08531	9.4
211.13226	6.1
217.12260	15.3
233.08080	15.2
234.51784	5.9
235.13345	13.1
235.16960	8.7
253.14320	16.4
295.01697	5.2
296.18512	12.4
341.12646	7.3
371.16748	11.2
387.14243	16.5
414.21188	21.1
415.15234	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	414.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	18.6
53.11441	4.0
55.01871	18.5
55.05505	4.7
55.99413	3.8
57.03427	13.0
61.02929	12.4
63.10943	4.6
65.03931	6.9
67.05499	4.3
69.03431	36.1
69.25665	23.9
69.26072	10.3
70.06589	4.1
71.04990	56.1
73.02924	52.8
79.05485	21.1
81.03421	17.6
81.07064	12.5
83.04958	4.4
85.02905	100.0
85.06471	4.2
89.80866	4.3
91.05485	19.1
93.07063	9.3
95.04963	11.8
97.02905	55.3
99.04453	6.7
103.05499	9.9
105.07030	19.9
107.04971	9.0
109.02887	15.4
109.06512	5.5
109.51792	4.0
111.04473	5.0
113.08971	4.4
115.03917	21.4
115.05458	14.6
117.07032	7.4
119.08591	6.5
127.03915	37.3
128.06229	37.2
129.07039	38.4
131.08531	4.9
133.04976	26.8
135.08084	5.8
141.06972	7.8
142.07784	8.4
143.08556	10.8
145.04948	43.0
145.06065	5.1
145.06525	5.2
149.92477	5.4
153.06981	10.8
154.07748	7.2
155.08580	12.5
156.09299	4.6
157.06503	12.5
163.06018	19.9
165.07037	12.9
166.07744	5.9
167.07085	6.4
170.78247	4.7
181.04951	11.0
187.06013	8.0
223.05952	6.2
241.07130	5.0
259.08417	5.0
341.46536	4.8
369.75262	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	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
53.72758	3.1
54.34374	3.2
55.01875	12.2
55.40010	3.2
57.03436	21.2
61.02928	14.9
65.03948	3.7
67.05510	4.4
67.57851	2.7
69.03436	32.6
69.24333	3.0
70.06596	14.2
70.46757	5.5
71.01397	3.7
71.04996	4.0
72.08167	5.8
73.02914	61.4
79.05479	15.7
81.03413	6.4
81.07067	6.8
83.05013	3.6
85.02908	100.0
86.03278	3.3
86.09722	9.8
87.04475	4.4
91.03983	3.4
91.05479	9.8
93.07057	6.9
95.04971	4.5
97.02898	52.8
99.04461	5.3
100.11282	4.7
103.03928	4.3
105.07024	4.9
107.04964	14.8
107.08584	4.0
109.02876	10.2
115.03929	21.3
119.08595	5.2
120.08064	6.5
127.03915	31.5
131.08539	3.4
133.04961	30.6
136.98596	3.2
137.05992	4.7
145.04968	47.6
163.06033	19.3
167.07066	16.8
181.04924	20.0
195.06525	33.1
217.15822	3.6
235.09703	3.9
241.07085	4.9
259.08240	3.5
309.55905	3.5
414.21988	7.3
415.14346	12.4
415.19382	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	414.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.2
55.01868	8.3
55.05506	4.1
57.03436	13.5
59.69780	1.6
61.02927	13.9
69.03432	32.7
69.07108	1.5
69.83553	4.2
69.83951	3.1
71.04996	18.2
71.11279	1.6
73.02920	62.9
79.05495	6.7
81.03415	10.5
81.07049	3.8
83.04998	2.2
85.02905	100.0
85.06544	3.4
86.03221	2.8
87.04481	4.7
91.03944	3.0
91.05479	7.8
93.07018	2.4
95.04977	2.5
97.02896	55.5
97.06513	1.9
99.04447	5.9
101.02348	1.6
103.03957	3.3
103.05463	4.8
105.07046	5.1
107.04978	6.2
107.08588	2.2
109.02892	10.6
109.06538	2.5
115.03931	25.1
115.05479	3.8
117.07076	1.9
119.08546	1.8
121.06476	2.8
125.05979	1.9
127.03907	32.4
128.06235	8.8
129.07037	9.9
131.08614	2.6
133.04965	32.2
134.19199	1.5
135.04460	2.2
141.07007	3.3
142.07787	1.9
145.04956	49.7
145.06171	2.8
145.10123	2.3
149.09578	2.0
155.08524	3.2
157.05141	1.6
157.06522	3.2
163.06027	26.5
165.07002	4.4
166.07771	2.0
167.07059	5.7
181.04866	3.6
187.06033	2.3
195.06512	2.5
208.13255	1.7
215.84573	1.8
217.07037	2.5
217.12123	3.0
223.06064	4.1
225.63016	1.6
235.13409	1.6
241.07076	6.2
253.14363	1.8
259.08142	10.8
265.16406	3.1
295.10028	2.8
415.15625	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01872	7.5
55.55456	0.8
57.03435	16.3
59.05003	2.6
61.02925	15.1
62.21257	0.9
67.05486	0.8
69.03427	32.4
69.19119	5.7
69.19524	1.6
71.01337	3.9
71.04989	2.3
73.02917	67.5
74.03246	1.0
79.05505	0.8
81.03406	6.1
81.07053	1.3
84.08130	0.8
85.02904	100.0
86.03247	1.4
87.04466	4.6
91.03960	4.2
91.73739	1.0
95.08625	0.8
97.02889	49.4
98.03226	1.1
99.04458	4.5
103.03957	3.4
106.31744	0.7
109.02886	9.1
111.04366	0.9
115.03928	23.9
115.04732	1.5
127.03915	28.8
128.04285	1.0
132.06572	1.0
133.04962	34.6
145.04958	49.0
146.05327	1.0
150.07599	1.9
153.05492	0.9
156.57304	0.8
163.06023	23.1
167.07033	1.4
181.04962	1.3
183.75359	0.8
193.04959	2.1
195.06575	1.0
199.06049	2.3
203.64871	0.9
215.31134	1.0
223.05946	5.4
241.07066	4.2
259.08212	5.8
265.16470	2.3
265.88834	0.8
277.09024	1.5
295.10162	1.6
415.23026	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	26.5
55.34355	1.2
57.07071	15.2
58.06611	3.6
67.05513	4.1
69.07074	34.5
69.69943	6.8
71.08630	12.6
72.08133	1.4
79.05508	2.3
80.17026	1.5
81.07065	7.2
83.08630	25.4
84.75331	1.3
85.10194	5.9
91.23447	1.5
93.07035	3.7
95.08627	9.2
95.09158	1.5
97.06584	1.4
97.10169	27.1
102.05546	15.7
103.66025	1.3
104.07109	100.0
105.07442	2.0
107.08601	3.0
109.10181	3.5
111.11749	7.5
119.08598	5.6
121.10192	2.6
123.11703	2.6
125.13296	3.4
135.11731	2.1
184.94084	1.5
246.45096	1.3
275.27338	3.5
293.28415	8.4
396.34793	13.1
397.35074	2.1
415.22107	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	414.9539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	0.6
56.96569	9.1
69.55640	0.3
69.60394	1.4
71.95255	2.2
74.84827	0.3
98.87260	0.3
98.97587	99.1
99.97925	1.1
116.98625	47.3
117.98952	0.3
130.93280	1.0
134.99667	12.1
140.00212	0.6
153.00739	0.9
158.01210	0.5
159.00580	0.3
172.94353	5.0
190.95428	4.6
202.74435	0.3
208.96449	0.9
214.93524	0.5
214.95395	3.5
224.36833	0.3
232.96468	8.1
234.99977	0.4
250.97572	3.6
256.96442	15.8
257.96796	0.6
258.99774	1.3
260.99570	0.4
261.03122	0.5
272.94250	0.4
274.97507	100.0
275.97824	2.9
276.98193	0.4
277.00864	2.1
278.01172	0.4
282.99973	1.0
284.99948	0.4
290.95175	0.3
292.98566	57.5
293.98923	1.9
297.99124	1.7
298.97888	0.9
301.01135	1.2
303.00800	0.5
316.00287	0.5
316.98828	1.5
317.98727	0.4
332.96338	0.3
373.01276	0.6
390.96011	0.5
414.95346	2.6
425.01239	0.4
432.96368	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.3
56.96566	9.4
70.06599	0.7
70.53242	0.7
71.95261	2.1
72.08139	0.5
83.78954	0.3
84.96033	0.5
86.09717	2.0
98.97585	94.3
99.97933	1.0
110.46652	0.3
110.97564	0.9
116.98624	46.0
117.98933	0.5
128.98555	0.6
130.93315	1.2
132.10213	0.9
134.99660	13.4
140.00145	0.6
143.00163	0.5
150.05585	0.3
153.00711	0.8
154.93265	0.7
158.01265	0.3
172.94357	6.6
174.97650	0.4
177.00806	0.3
190.95384	4.1
197.95245	0.3
201.00916	0.3
208.96446	1.3
210.99138	0.4
212.03998	0.3
214.95392	3.2
219.01868	1.4
228.02034	0.3
229.00252	0.5
230.98444	0.6
232.96483	7.9
233.96875	0.4
237.02859	0.8
241.93977	0.6
250.97499	3.7
256.96436	15.7
258.99896	0.3
274.97504	100.0
275.97903	2.4
288.99078	0.4
292.98566	56.4
293.98907	1.9
295.97488	0.3
297.99069	1.7
310.99396	0.4
316.00177	1.1
355.03250	0.6
372.94305	0.6
373.04404	1.8
390.95337	0.5
391.04514	0.4
414.95251	2.7
415.10007	0.5
432.96500	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	415.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	53.4
69.03432	1.5
70.06609	4.8
71.31152	1.6
71.95251	2.9
74.52871	0.9
74.97629	1.2
84.08161	1.6
84.96040	17.5
85.02887	2.4
86.09708	1.5
97.02863	1.8
98.97588	100.0
101.00898	3.3
102.97066	3.3
107.04980	1.2
110.97569	13.5
112.99149	3.9
116.98627	57.6
119.01955	8.8
124.99132	1.8
128.98604	17.0
130.93291	1.0
131.00169	4.2
131.01875	1.8
134.97513	1.9
134.99669	22.1
137.02962	1.8
140.00179	1.4
140.98566	2.5
143.00189	8.9
143.01907	2.4
144.98105	2.7
145.03429	1.3
146.99649	7.1
149.01216	2.4
150.05493	1.9
152.98573	11.2
153.00659	2.0
157.03429	1.7
158.01289	1.1
158.99683	6.0
161.01233	18.7
161.02940	11.0
162.99167	3.1
167.00168	4.3
169.03473	1.3
170.99654	13.0
172.94330	2.7
173.01414	1.4
173.02975	3.5
177.00729	9.0
177.04181	1.0
179.02278	4.9
180.98064	1.2
184.00238	1.0
185.01247	8.0
185.02847	2.0
189.00746	5.8
190.95433	4.2
192.98209	2.5
194.99664	2.8
195.01631	2.0
197.02937	2.2
198.99214	3.8
201.00696	5.2
203.02290	8.6
203.03943	2.2
205.05566	1.0
207.01648	1.9
208.96536	1.1
209.01161	1.7
210.99133	11.8
211.00957	1.4
211.04526	1.1
213.00687	9.3
214.03262	3.5
214.95506	1.5
215.02290	1.1
215.04172	1.1
217.00183	1.6
219.01759	26.1
220.02142	1.2
225.02783	1.4
227.02321	3.8
229.00198	57.7
230.00490	2.2
231.01779	2.2
232.04301	2.6
232.96411	4.2
235.02805	1.8
237.02814	34.8
238.03220	2.5
239.04047	1.9
241.01714	1.1
244.97658	1.7
245.05142	5.4
247.01167	12.7
250.97633	2.9
253.00194	3.4
253.03627	1.7
253.05833	2.0
255.03877	2.5
256.04291	3.4
256.96423	8.0
258.99707	1.2
263.02283	1.7
263.06247	1.5
265.05750	1.6
269.05090	2.8
270.05893	1.2
271.01291	10.6
271.06628	4.4
274.05319	1.1
274.97522	56.3
275.02271	2.1
275.97995	1.9
277.00238	2.1
279.01831	2.8
280.04239	1.6
283.01221	1.5
283.06717	3.2
285.02847	1.1
289.00140	1.8
292.98584	34.9
293.03448	2.8
295.01248	5.1
295.06592	2.6
297.02808	5.5
297.99261	1.1
307.01135	1.9
310.05313	1.3
313.02225	3.6
313.07703	4.3
325.07404	1.3
337.02170	6.4
344.97702	1.5
355.03366	42.4
356.03696	3.5
361.05936	1.1
373.04425	79.7
374.04773	4.0
378.05066	1.0
391.05377	8.0
396.06116	2.6
409.06473	1.7
414.95911	1.6
415.06055	8.5
415.10382	6.1
415.15088	8.9
432.96475	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46218	5.5
68.16183	5.6
70.22647	22.1
71.05001	6.5
72.08144	6.2
72.31087	5.8
98.97549	9.7
106.15947	6.0
128.95250	5.8
241.20409	7.1
322.79132	6.1
362.44070	6.1
415.09988	100.0
416.10083	15.8
423.58905	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	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12265	1.6
56.96570	11.6
70.06573	5.2
70.37630	2.4
70.37935	2.8
82.53667	1.7
84.08157	2.7
85.02882	2.5
86.09706	5.9
89.79160	1.7
97.02879	2.2
98.97591	100.0
102.96847	1.9
110.97590	5.3
116.98627	39.5
128.98592	2.7
134.99664	11.9
137.24709	1.7
172.94391	4.9
187.00330	4.1
205.01476	2.2
214.95360	3.9
219.01782	4.9
232.96570	4.4
237.02856	4.6
250.97572	5.7
256.96417	14.2
274.97528	84.8
275.97949	2.8
292.98575	49.1
301.08859	4.4
303.17615	1.9
371.19397	2.2
415.10062	30.8
416.09991	2.1
438.40103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.8
59.19915	1.7
69.27090	5.5
69.27514	9.4
70.06587	4.4
71.02844	1.9
71.95264	3.1
72.08158	2.2
80.67006	1.9
84.96039	2.2
85.02898	3.1
97.98492	1.6
98.22621	3.2
98.97587	100.0
99.25142	1.7
106.41942	1.8
110.97582	7.8
116.98626	36.1
120.08079	3.6
128.98636	3.0
134.99663	12.3
143.00136	2.4
146.99683	2.2
158.99678	3.6
161.01309	2.7
170.99541	1.7
172.94330	5.7
177.00755	3.8
190.95404	3.5
192.98111	3.8
210.99222	6.9
214.95357	1.8
219.01689	9.1
229.00095	4.0
232.96465	7.2
237.02815	13.2
250.97559	3.0
256.96408	14.1
274.97528	84.6
275.97757	3.7
292.98569	47.1
337.02084	3.5
337.05734	3.2
355.03400	5.8
373.04300	6.4
414.95453	2.4
415.09860	23.4
415.15286	17.6
416.15585	2.5
432.96375	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	415.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78754	5.5
80.94897	3.2
85.06525	3.4
91.05463	5.5
98.23364	3.1
119.08598	40.0
178.07864	4.2
199.07503	3.7
207.08163	3.7
209.09488	4.4
210.06749	3.2
211.07584	5.2
213.05447	4.8
223.07549	3.6
224.08258	5.6
225.05400	4.1
225.09126	5.6
226.06392	4.3
226.09813	2.9
227.06985	7.8
235.07611	6.9
236.08293	3.8
237.09125	4.9
238.06276	5.4
239.07045	10.2
239.10724	8.5
240.07913	7.7
241.08592	9.4
242.09294	3.0
243.82803	3.1
249.09209	4.7
250.09898	3.9
251.07089	9.2
252.07805	8.2
253.08615	7.8
254.05574	6.6
255.06598	7.4
255.10161	8.5
256.07257	6.5
257.08090	4.6
263.06763	3.6
264.07819	3.2
265.08585	7.7
266.09216	4.0
267.06787	6.0
267.10135	23.1
268.07294	9.4
268.10745	5.1
269.08035	18.7
269.11954	3.5
270.08618	6.3
271.06052	5.5
278.09381	6.9
279.06885	4.7
279.10104	9.0
280.07339	12.5
280.10635	6.0
281.08148	14.5
281.11255	3.7
282.08829	12.7
282.12497	8.4
283.05856	3.3
283.09656	16.6
283.12482	3.5
284.06973	18.9
284.09793	4.6
285.07480	11.1
287.09329	4.1
293.08261	4.9
293.11627	6.8
294.08945	5.5
295.09610	32.1
296.06821	7.8
296.10233	6.7
297.07632	16.7
297.11151	14.9
298.08276	13.2
298.11700	4.9
299.09152	32.8
300.06589	5.2
300.09824	13.7
308.10449	4.2
309.07980	4.7
309.11029	17.5
310.08371	13.1
310.11996	36.9
311.05814	4.5
311.09128	17.7
311.12653	10.2
312.09769	26.4
313.07230	4.6
313.10699	23.1
313.14316	7.6
314.11060	3.5
315.08609	16.4
315.12335	7.1
320.10458	6.5
321.11163	11.5
323.09256	4.8
324.09921	3.9
325.07092	4.5
325.10712	40.2
326.07834	6.3
326.11459	30.5
327.08627	24.0
327.12180	6.4
328.09250	7.2
329.10205	12.6
331.11801	3.8
335.12787	4.7
336.10037	4.8
339.12292	7.2
340.08972	4.7
340.13065	93.4
341.10123	34.5
341.13806	62.0
342.10938	54.7
342.14630	7.6
343.08054	8.6
343.11737	15.2
351.12283	20.1
351.87524	3.2
356.12500	61.6
357.13071	12.2
358.10349	11.5
366.14709	21.9
367.15552	6.0
371.14899	100.0
372.15112	8.9
373.12842	53.8
374.13226	5.8
383.14886	28.0
384.15634	25.1
385.16098	3.7
397.16476	12.4
400.14987	5.5
415.12439	3.7
415.17477	80.5
415.22537	2.7
416.17850	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	415.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
67.05506	5.0
69.03449	3.1
70.06589	9.9
71.04998	100.0
71.10178	3.8
72.08160	24.4
73.41947	2.8
79.05495	10.2
81.03432	5.7
85.02904	15.2
85.06568	3.4
86.09702	9.5
91.05471	20.2
102.05598	4.4
103.05452	3.7
105.07040	11.3
116.07114	10.3
117.07043	3.1
119.08557	6.4
121.06516	5.4
129.07001	5.3
132.05733	4.9
147.08052	59.5
168.47899	2.9
173.09271	5.6
201.08707	11.1
217.12274	5.1
235.13240	6.2
259.24982	3.0
300.15573	4.5
303.40302	2.9
421.25900	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	415.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84589	6.7
67.05512	9.6
69.22347	47.7
70.06597	61.3
71.04994	100.0
72.08149	53.4
79.05514	16.1
81.03417	8.3
84.04494	10.9
84.08157	8.9
85.02911	22.7
85.06491	5.9
85.65533	6.5
86.09698	28.4
91.05495	21.6
95.04945	9.9
102.05530	9.0
105.07039	14.6
110.07197	7.0
116.07108	17.5
117.07057	8.1
119.08606	8.6
121.06468	8.0
123.95354	6.6
128.06290	7.9
129.06996	8.4
129.10257	6.9
131.42654	6.6
147.08034	67.9
155.08231	10.2
161.18996	6.7
171.11484	7.8
173.09242	20.2
201.08728	14.1
203.10323	14.7
211.99899	5.6
215.14053	7.7
235.13278	7.5
281.70883	6.1
367.09933	6.1
371.13196	8.8
411.14316	6.4
415.15674	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.8
58.06601	100.0
59.06932	1.1
65.03955	0.3
66.11136	0.2
67.05496	0.2
69.07074	1.3
69.28432	1.3
79.05512	0.3
81.07079	0.2
84.08134	0.4
85.75859	0.2
86.06044	0.2
86.09707	6.4
91.05476	9.7
92.05834	0.3
97.06538	0.2
97.07674	0.3
98.09704	1.0
103.05497	0.5
105.07056	0.6
108.08118	0.2
111.05573	0.4
113.07140	1.4
114.09167	1.8
115.05436	1.2
115.08682	1.4
117.05765	0.8
120.08090	0.4
122.09649	0.4
125.07155	0.2
126.05543	0.2
126.07919	0.3
129.07013	0.7
130.06544	1.8
131.07336	0.7
132.08089	22.3
133.08415	0.8
134.09683	0.4
142.08679	0.4
143.08226	0.5
144.08086	0.9
146.09657	3.3
159.09254	0.3
160.07590	1.5
167.07057	0.7
169.07655	0.3
169.13397	0.6
171.09174	1.8
171.14922	13.5
172.15280	0.6
173.10806	0.5
181.04964	1.1
181.13396	0.7
183.14951	0.2
186.10362	0.4
188.07085	2.4
188.11833	1.6
189.10229	10.1
190.10637	0.6
196.09981	0.3
198.10307	0.4
199.11000	0.5
199.14409	6.2
199.16211	0.3
200.11818	1.6
200.14667	0.4
210.16052	2.2
212.12033	0.3
214.13548	0.2
217.09731	7.3
217.11754	0.4
227.15541	0.3
229.17014	0.2
238.15485	5.0
239.15479	1.3
245.16574	0.4
256.18085	14.1
257.18408	0.8
273.16077	0.4
284.17584	1.5
286.19073	0.2
301.15442	1.2
302.15024	7.0
302.18259	0.2
303.15421	0.6
312.17047	21.9
313.17404	1.9
327.17188	1.0
330.18106	6.9
331.18344	0.4
358.21234	6.3
359.21588	0.8
360.07928	0.2
387.23807	0.3
397.22552	0.5
415.13931	0.8
415.23367	9.0
416.23691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2347
Annotation	Tentoxin
Peak:m/z	Relative Intensity
51.65242	0.8
55.05511	2.0
56.05033	1.6
56.22300	0.7
57.07066	1.3
58.06605	100.0
67.05506	3.1
69.07076	3.5
71.04979	1.4
71.30466	1.3
73.04751	1.0
79.05492	2.1
81.07039	4.3
83.08609	1.4
85.06557	1.3
86.09712	7.8
91.05476	10.8
91.05906	0.9
93.07061	1.8
95.04978	1.3
95.08623	4.3
98.09733	1.1
98.97569	0.9
105.07026	3.4
107.08598	3.5
109.10181	2.1
111.08115	0.9
113.07140	2.3
114.09126	1.2
115.05485	1.3
115.08690	1.7
117.05806	1.1
117.07000	1.7
119.08614	2.4
121.10158	2.1
130.06537	1.4
131.08580	1.7
132.08096	20.7
133.10149	2.3
137.09593	1.3
143.08319	1.0
144.08083	0.9
145.10141	2.1
146.09642	4.5
147.11749	2.0
149.09625	1.2
149.13319	1.0
153.05467	1.1
160.07561	1.5
167.07040	1.3
169.10219	0.9
171.09135	1.8
171.14943	15.1
175.11113	1.0
181.04895	0.9
181.10077	1.4
188.07112	2.9
188.11749	0.9
189.10291	10.3
189.16415	1.1
199.14436	7.4
200.11792	1.4
210.16008	1.6
217.09782	7.2
218.10078	1.3
238.15471	5.1
239.15472	1.2
256.18115	12.6
273.16064	0.8
274.97400	1.4
284.17712	1.3
301.15567	1.5
302.15094	8.0
312.17087	24.6
313.17334	1.6
330.18213	7.3
352.77255	0.9
358.21384	6.6
415.23380	11.2
415.31714	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	7-Nor-Ergosterolide
Peak:m/z	Relative Intensity
53.03961	2.8
55.05509	19.9
57.03440	12.4
57.07072	6.9
67.05508	22.2
69.07073	37.7
79.05498	22.0
81.07061	82.2
83.04965	3.8
83.08618	11.8
85.06557	4.1
85.51524	2.0
91.05484	20.7
93.07049	63.7
94.07394	2.5
95.05004	2.8
95.08612	90.1
96.08938	3.3
97.06538	3.0
97.10183	9.3
98.22638	5.6
105.07039	47.7
107.08599	63.3
109.06528	2.4
109.10162	46.1
111.08096	4.0
111.11713	2.5
114.84430	2.2
117.07016	3.8
119.08588	52.3
120.08876	2.5
121.10151	93.2
122.10471	3.8
123.08118	2.5
123.11720	32.7
131.08534	12.8
133.10136	36.3
135.11707	51.2
136.12030	2.2
137.09650	3.3
137.13232	11.3
139.11200	34.5
143.08617	2.7
145.10117	19.4
147.11699	49.2
149.09705	2.5
149.13261	32.1
151.14857	2.3
153.12737	3.3
157.10072	4.1
159.11739	19.5
161.13272	35.5
163.14801	10.5
165.12695	3.0
167.10710	8.4
171.11685	3.4
173.13298	12.5
174.13976	2.8
175.14815	37.1
176.15134	2.3
177.12627	2.2
177.16428	7.6
185.11754	13.4
185.13324	5.7
186.66318	2.2
187.14807	14.8
189.16396	24.9
190.16838	2.4
191.17963	57.4
192.18279	3.3
199.14877	4.1
201.16399	7.8
203.18021	14.1
213.16394	4.7
215.17973	7.2
217.19539	19.0
219.17496	6.4
221.15298	3.4
223.13364	2.3
227.17931	2.7
229.19516	16.7
230.20131	2.5
231.21097	43.2
232.21559	3.8
257.22592	10.4
259.24274	4.6
261.18750	2.2
279.19559	2.5
291.19681	2.7
320.39752	2.1
325.25912	2.3
345.24207	4.3
351.30295	3.7
359.25717	2.9
369.31528	4.5
378.61557	2.1
379.29831	2.4
397.31161	21.7
398.31415	2.7
403.38129	2.4
415.32104	100.0
416.32675	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	415.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01842	1.4
55.05515	21.1
57.03444	9.1
57.07069	5.7
65.03938	2.5
67.05508	26.8
69.03423	1.6
69.07070	37.3
69.15335	2.9
69.15732	7.4
71.08617	1.4
79.05496	26.4
81.07061	86.1
82.07388	1.2
83.04988	3.2
83.08617	15.4
85.06560	4.0
91.05487	21.6
93.07050	73.3
95.04971	2.7
95.08609	90.0
96.08932	2.0
97.06540	4.2
97.10193	9.1
105.07032	60.7
106.07312	1.5
107.08599	60.1
109.06544	5.0
109.10165	45.4
109.10873	1.0
110.10512	2.4
111.08094	5.1
111.11733	2.5
117.07030	4.7
119.06107	1.4
119.08585	52.4
120.08904	1.7
121.10147	93.0
122.10471	4.0
123.08073	3.8
123.11705	35.2
124.12136	1.3
125.06016	2.5
125.09643	1.4
131.08585	13.1
133.10132	40.1
135.11702	53.7
136.12018	2.4
137.09619	3.2
137.13261	14.2
139.07538	1.2
139.11183	27.4
140.11505	1.6
141.09091	1.5
143.08565	3.1
145.10121	16.1
147.11694	48.8
148.12061	1.9
149.09631	3.2
149.13257	27.9
150.13565	1.4
151.11177	1.8
151.14899	1.8
157.10150	5.7
159.11690	19.9
160.12491	2.3
161.13263	35.7
163.11203	1.6
163.14819	12.3
165.12769	2.1
167.10669	7.0
171.11702	3.8
173.13269	12.2
174.13927	2.1
175.14836	35.9
176.50110	1.3
177.12779	2.8
177.16382	7.2
181.12302	2.3
182.57413	1.2
185.11772	16.2
185.13310	3.6
187.14824	15.2
189.16386	23.9
191.17955	55.8
192.18311	4.1
193.12242	1.9
193.15901	1.7
197.13339	1.3
199.14914	3.9
201.12881	1.6
201.16428	8.3
202.16910	1.3
203.17964	13.2
205.19438	2.1
213.16414	4.2
215.17909	8.8
217.19516	20.5
221.15346	1.4
223.13322	3.3
227.18042	3.8
229.19539	14.1
231.21089	45.6
232.21516	4.0
233.15529	1.9
243.21303	2.4
257.22632	7.2
259.24280	4.6
261.18680	1.8
269.22491	1.7
273.18643	1.6
279.19601	4.1
281.22748	1.9
287.20374	1.6
291.19754	2.5
301.21875	1.7
313.21637	1.6
319.22629	1.5
327.23389	1.8
331.22739	2.9
333.24265	3.5
345.24341	3.5
355.26541	1.7
359.25757	2.8
369.31619	4.0
373.27463	2.7
379.30048	2.4
397.31067	15.8
398.31476	2.7
405.21384	1.2
415.32159	100.0
416.32587	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	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68489	1.1
53.03936	5.6
53.30591	1.0
55.05512	20.3
57.03431	1.6
57.07072	6.6
60.80957	1.0
65.03940	2.2
67.05508	29.8
69.03410	1.6
69.07070	29.1
69.14283	6.2
69.14705	2.7
71.04989	1.5
71.08635	1.4
79.05491	29.9
81.07060	100.0
82.07404	3.4
83.04956	1.1
83.08620	13.3
85.06556	8.2
91.05483	35.3
93.07047	81.4
94.07394	1.4
95.04963	4.1
95.08609	75.7
96.08946	1.1
97.06534	2.7
97.10161	5.6
105.04490	1.3
105.07034	59.7
106.07378	2.0
107.08597	88.1
108.08920	2.5
109.06519	2.9
109.10159	44.8
109.10912	2.3
110.10561	1.3
111.08071	1.9
111.11748	2.7
112.07592	1.7
112.11091	1.1
117.06992	6.9
119.06107	1.8
119.08582	58.7
120.08904	1.3
121.10147	98.0
122.10466	2.2
123.08109	1.9
123.11710	31.2
125.05974	2.2
125.09616	1.2
129.06990	1.6
131.08580	13.5
133.10132	36.3
134.10464	2.0
135.08128	1.4
135.11697	73.1
136.11961	2.1
137.09573	2.2
137.13257	8.3
139.07492	1.3
139.11176	23.0
140.11490	1.4
142.07790	1.3
143.08536	6.0
144.09308	2.4
145.10124	15.8
147.08046	1.3
147.11682	40.4
149.09642	1.2
149.13258	33.1
150.13551	1.9
153.09151	1.3
155.08641	1.1
157.10139	6.3
158.10817	1.6
159.11697	20.9
161.09622	1.9
161.13263	38.2
162.13687	2.6
163.11224	3.0
163.14835	22.7
164.15182	1.4
165.12691	1.9
169.10107	1.6
171.11662	7.1
173.13275	12.1
174.14017	1.3
175.11211	2.8
175.14838	21.9
175.16360	1.2
177.09122	1.2
177.12735	2.9
177.16417	5.5
179.10625	2.1
179.14363	1.1
181.12216	2.0
185.13240	6.6
187.11192	1.5
187.14833	9.2
189.12767	2.6
189.16354	15.9
191.10692	2.9
191.14307	3.1
191.17946	10.3
193.12263	2.0
197.13281	2.6
199.14821	4.8
201.12665	1.5
201.16391	9.8
201.20396	1.0
203.17938	8.5
205.12256	3.1
205.15872	1.3
207.13809	2.8
211.14859	1.4
213.16452	4.7
215.17964	10.1
217.16238	1.9
217.19514	49.6
218.19894	2.4
219.17418	1.0
225.16429	1.8
227.18044	2.4
229.19568	3.4
234.81316	1.1
235.17027	2.0
239.18050	1.6
241.19577	2.0
243.17535	1.8
243.21069	1.4
250.31895	1.0
254.15715	1.2
255.15913	1.3
255.21181	2.2
259.20605	2.0
267.40338	1.2
271.24100	1.3
273.18558	1.7
281.22775	1.3
285.22144	1.7
287.20319	1.1
291.57300	1.1
301.21692	2.9
315.23065	1.4
327.23190	1.4
337.25067	1.7
341.24826	1.6
351.30457	2.0
355.26340	2.2
369.31516	10.9
379.29950	6.2
397.30936	17.6
398.31461	2.0
405.10522	1.1
415.32089	39.1
416.32550	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	415.321
Annotation	3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Peak:m/z	Relative Intensity
53.03954	0.4
55.05518	1.9
57.07080	0.8
66.70218	0.3
67.05506	2.5
69.07079	2.8
71.05000	0.4
79.05494	2.3
81.07063	5.9
83.05000	0.7
83.08621	1.1
85.06554	1.2
91.05463	3.3
93.07054	8.1
95.04971	0.6
95.08616	8.3
97.06515	1.1
97.10162	0.6
99.08102	0.4
105.07037	7.4
107.08601	9.9
108.08877	0.4
109.06539	1.0
109.10167	6.7
111.08083	1.2
115.05541	0.4
117.07019	1.2
119.08592	12.0
121.06514	0.8
121.10157	7.8
122.10418	0.4
123.08092	1.6
123.11710	2.9
125.09614	0.5
129.07030	0.7
131.08575	2.5
133.10135	10.8
134.10483	0.5
135.08075	0.8
135.11691	7.7
136.12027	0.3
137.09628	1.3
137.13306	0.6
143.08545	2.1
145.10123	7.2
147.11690	9.4
148.12114	0.5
149.09668	1.0
149.13232	3.0
151.11208	1.2
153.12669	0.3
155.08578	0.9
156.09363	0.4
157.10147	2.4
159.08006	0.5
159.11700	7.8
161.09610	0.5
161.13264	3.6
163.07539	0.4
163.11195	1.5
163.14812	2.2
165.12825	1.1
169.10161	0.9
170.10866	0.4
171.11739	2.0
173.13286	3.6
174.90128	0.4
175.11182	2.8
175.14836	3.3
177.12802	3.0
177.16393	2.1
179.08342	0.4
179.14305	1.0
183.11726	1.6
185.13293	1.8
187.11266	0.6
187.14803	2.7
189.12733	2.5
189.16396	5.9
189.28711	0.5
190.16733	0.4
191.14331	3.0
191.17984	0.5
193.12247	1.5
197.13284	1.0
199.14841	1.8
201.12750	1.2
201.16408	7.5
202.13640	0.4
202.16820	0.6
203.14357	3.4
203.17937	2.1
205.15947	0.8
207.17502	2.8
209.13440	0.5
211.14867	0.7
213.16429	1.2
215.14291	0.7
215.17915	2.5
216.15077	0.6
217.15878	1.9
217.19464	0.4
219.17554	0.7
225.16394	1.2
227.14397	0.5
227.18037	0.5
229.09923	0.4
229.15898	0.9
231.17557	0.8
233.19102	1.1
237.16563	0.4
239.17923	0.9
241.15930	0.7
241.19647	0.4
243.17488	3.4
245.19057	0.9
253.19641	0.6
256.92920	0.4
257.19040	0.9
269.19119	0.5
283.20523	0.7
297.21887	0.4
340.12936	0.5
361.28769	1.3
371.15063	0.5
379.29990	2.9
397.30948	1.5
415.32083	100.0
416.32434	10.4
416.37756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01866	7.6
55.05509	1.3
57.03426	3.9
60.04519	1.1
61.02928	5.7
63.40383	1.0
65.03935	3.3
67.05508	2.0
68.99787	2.7
69.03078	1.9
69.03429	26.9
69.45976	3.1
69.46390	3.1
71.04990	3.6
71.53194	1.1
73.02916	5.5
78.04717	2.2
79.05492	4.9
80.05006	1.1
81.03417	20.9
81.07053	2.4
85.02905	81.3
86.03218	1.0
87.00830	30.0
87.04443	1.4
91.03918	1.7
91.05466	7.0
93.07057	2.6
93.88390	1.0
95.04980	2.3
97.02892	24.5
97.06524	1.3
99.04461	12.2
100.11253	1.2
103.05443	5.1
105.01862	29.3
105.07043	3.4
106.04205	1.5
107.04942	8.0
107.08628	1.9
108.04519	5.5
109.02871	22.0
109.06519	42.6
111.04437	1.8
115.05456	4.1
117.01887	3.0
117.07025	4.5
119.04951	1.3
121.06515	2.2
123.04449	8.3
124.05230	3.2
125.06004	1.6
126.05515	2.6
127.03915	51.2
129.01837	2.9
131.04942	3.8
133.06514	2.9
135.04385	1.2
137.05920	1.6
138.03116	1.4
142.02602	2.5
144.05687	1.2
145.04967	30.1
145.06474	9.5
147.02928	3.3
147.08064	1.2
148.05165	3.0
151.03862	1.1
151.07582	1.6
151.11188	18.6
152.04692	4.0
155.06068	2.8
159.02875	17.0
162.69725	1.0
163.07544	3.0
163.11160	8.3
165.05405	2.0
167.07039	100.0
171.06511	2.4
173.05959	11.1
175.07553	2.2
181.04959	46.9
182.05263	1.4
189.03935	4.6
191.07027	9.8
193.12250	1.9
195.06606	1.5
199.07616	2.0
205.08611	4.1
207.06477	2.3
213.03925	3.4
217.08641	3.2
217.12065	1.6
230.06609	1.6
231.05011	13.8
233.08072	9.3
235.09624	3.7
241.12276	1.3
248.07788	2.2
259.13260	3.3
277.21667	1.9
381.13272	1.5
385.12723	2.4
387.14386	12.8
399.14105	1.1
416.14084	1.3
417.15375	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	416.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01888	2.5
55.05511	10.7
56.05021	1.3
57.03428	4.6
58.03762	1.2
59.05003	11.0
60.05675	1.3
61.02927	5.6
67.05515	2.4
69.03435	14.9
69.07055	1.8
70.06593	9.5
71.01366	1.4
71.04990	5.3
71.30979	1.6
72.08158	100.0
73.02916	12.5
73.08481	2.9
75.05593	1.2
79.05502	2.5
81.03412	4.4
81.07050	1.6
83.06097	1.1
84.04503	6.8
84.08156	16.0
85.02911	51.0
86.03249	1.4
86.09706	41.2
86.83298	1.1
87.04456	2.5
87.08106	15.6
91.03957	2.8
91.05473	2.0
93.07036	1.6
95.04951	2.3
95.08569	1.2
97.02898	21.1
97.06544	1.3
98.97629	1.3
99.04456	3.3
100.07600	1.5
102.05544	1.6
105.07029	1.6
105.09148	8.6
107.04964	2.0
107.08617	1.9
109.02887	6.8
109.06528	1.5
109.10129	1.6
110.07166	1.5
112.08751	1.4
115.03928	3.5
116.07104	2.2
118.08674	2.7
119.04934	1.5
120.08098	2.2
121.06512	1.5
121.10110	1.3
124.07549	1.1
127.03908	15.0
129.10258	10.6
130.05023	2.4
133.04971	5.2
133.06029	2.2
136.07549	1.6
137.02345	1.8
138.09157	1.6
138.82541	1.2
143.11810	4.9
145.04967	23.7
147.04390	3.3
147.07675	2.8
148.05998	2.3
150.09039	1.5
151.07509	1.5
152.07129	1.4
157.13396	5.6
163.06023	8.8
163.11214	4.0
167.07036	2.5
168.06697	1.3
169.09746	1.3
171.11287	4.6
182.12933	1.6
183.11391	1.6
185.12868	5.2
206.08206	1.3
211.05888	1.2
224.09296	1.9
224.83614	1.3
225.16530	1.2
232.12930	2.4
233.11548	1.7
236.09026	1.5
237.14952	2.4
239.17592	1.7
244.11763	1.5
247.12886	5.0
254.10318	1.6
259.08148	1.5
284.19678	1.3
398.14590	1.6
416.10468	2.1
416.18048	4.7
416.25803	2.0
417.07968	1.6
417.12625	2.5
417.17084	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	416.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90303	2.8
65.03933	5.7
67.05512	15.0
69.03431	5.5
69.21779	23.4
71.05002	24.4
78.04691	4.9
78.88354	3.0
79.05476	9.4
80.53371	3.1
81.07058	4.3
85.02898	7.7
85.06529	3.9
86.72803	3.0
91.05471	13.3
95.04964	11.6
103.05447	2.8
105.07014	7.4
107.05001	3.1
115.05418	5.7
117.06999	13.8
123.04418	6.8
124.05222	3.0
127.05486	3.0
128.06207	3.5
129.06984	6.5
131.08545	8.1
142.02756	3.9
142.07774	4.4
143.08522	3.4
145.06512	18.3
145.10165	3.6
146.85243	3.2
155.05988	6.8
155.08557	2.9
157.10089	3.5
159.08104	4.5
166.95319	2.7
167.07039	100.0
173.05952	16.7
181.04938	29.1
191.07033	6.0
201.12733	5.3
219.13852	8.5
233.08154	4.9
254.97459	3.4
387.14365	11.2
406.67184	3.4
417.15347	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	416.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85331	1.5
65.03944	4.0
66.31993	1.5
67.05509	3.3
69.03429	6.2
70.42161	2.5
70.42501	3.6
71.04993	3.4
78.04728	4.0
79.05503	6.8
83.04958	2.1
85.02918	5.5
85.06558	2.0
86.09719	3.2
91.05493	6.4
93.07065	2.5
94.02283	1.5
95.04966	3.9
97.06550	2.3
103.05493	4.7
105.07016	4.2
106.04183	1.8
107.04951	11.2
110.03683	2.0
115.05496	4.4
116.06243	2.1
117.07031	4.9
123.04462	8.8
124.05228	3.8
125.05972	2.4
129.07077	2.5
131.04930	4.7
131.08629	2.4
133.10141	3.7
135.08043	1.9
137.05995	2.7
137.09650	3.8
145.06480	8.0
145.10175	2.6
148.05206	4.7
151.03931	1.8
152.04710	2.8
155.06078	2.6
159.11853	1.9
163.07547	4.7
167.07050	100.0
168.07382	3.9
171.06522	2.7
173.05956	11.4
181.04974	60.0
182.05357	2.5
191.07034	18.3
195.06514	4.2
201.12680	2.2
205.08583	2.6
219.10257	1.7
219.13850	2.8
233.08163	10.0
235.09683	4.0
290.57776	1.8
302.84833	1.9
323.07843	1.6
385.12732	2.9
387.14380	13.8
417.15530	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60251	3.9
53.03934	6.4
53.07513	3.8
61.80557	4.3
65.03934	7.7
67.05510	30.1
69.03413	12.4
70.53304	11.8
71.04995	22.7
79.05492	11.0
81.07047	11.2
85.02916	6.8
91.05486	20.9
93.07017	6.3
95.04960	37.0
103.05489	8.7
105.07040	23.1
106.04160	6.4
107.04973	8.6
109.06512	4.0
111.04477	5.9
115.05458	9.0
117.07021	17.3
119.08524	5.2
121.06505	7.8
123.04431	9.3
129.07001	7.3
131.08575	20.8
135.07985	4.6
145.06508	11.8
145.10121	6.9
155.06067	6.3
155.08568	7.1
157.10104	6.2
167.07037	100.0
167.08372	8.4
172.26591	4.9
173.05960	16.9
181.04991	49.1
191.07027	16.4
219.13802	18.8
233.08105	13.9
387.14407	14.2
417.15390	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	416.987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41733	3.3
51.93456	2.8
54.63779	3.0
56.96569	16.2
63.19602	2.9
68.49483	2.8
69.04984	28.1
71.57062	2.8
71.95296	3.7
72.20959	3.5
98.97589	100.0
100.97214	5.0
100.98012	3.9
101.75233	3.9
116.98629	63.9
128.85414	3.2
130.49944	2.9
134.99675	22.8
177.00958	6.5
190.95389	4.0
211.00125	3.6
216.98943	5.6
217.98979	4.5
232.96544	10.5
235.00018	18.7
236.00142	8.6
236.99783	6.2
240.98943	7.2
241.98830	4.3
242.98816	3.5
250.97734	4.7
253.01213	4.2
256.96558	13.2
258.97058	6.3
258.99924	46.4
260.00027	18.4
260.99823	18.8
261.03082	11.5
262.03278	4.7
263.02856	3.9
274.97565	77.7
275.97971	7.7
276.97620	20.5
277.00983	46.6
278.01193	22.6
279.00702	16.3
283.00027	53.2
284.00150	33.9
284.99768	30.3
285.99847	8.7
291.99780	4.0
292.98550	38.8
294.98782	8.6
298.97852	8.6
299.97849	6.4
300.97736	7.8
301.01022	75.5
302.01172	47.9
303.00845	51.0
304.01065	13.7
310.22638	3.8
316.98868	15.0
317.98935	5.9
318.98642	13.3
319.02054	4.3
376.01297	4.0
401.01089	7.5
402.00986	5.0
403.01349	6.7
408.00381	3.6
416.98807	9.3
425.01041	19.7
426.01541	17.2
427.01157	22.6
428.01007	5.2
434.95593	5.2
443.02509	40.0
444.02448	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03946	0.4
55.01849	0.5
64.24487	0.2
65.03944	1.1
67.05491	0.9
68.38707	0.2
69.03420	0.7
70.58524	0.4
71.04991	0.4
72.68509	0.2
78.04711	2.3
79.05499	1.4
81.03406	0.2
81.07050	0.5
82.04179	0.3
82.42767	0.3
85.02911	1.2
86.92677	0.3
91.05479	1.3
93.03381	0.5
95.04963	1.2
96.05766	0.2
97.02891	0.3
97.06540	0.4
103.05473	1.5
105.03394	0.4
105.07029	0.5
106.04167	2.0
107.04961	1.8
109.02872	0.3
110.03636	0.7
115.05451	3.6
116.06192	0.2
117.07020	5.2
118.07339	0.3
122.03623	0.5
123.00836	0.3
123.04430	7.3
124.05218	2.3
125.05949	0.6
127.05445	0.8
129.06963	0.4
131.04936	0.8
132.05632	0.3
133.06497	0.5
134.03633	0.5
137.05978	0.5
138.03070	0.3
142.02713	0.3
143.04996	0.3
144.05772	0.3
145.06482	7.6
146.06847	0.3
147.08063	0.4
151.03900	1.3
152.04686	2.0
153.05441	0.6
155.04895	0.3
155.06036	3.4
161.06078	0.3
167.07039	100.0
168.04320	0.3
168.07381	3.4
171.06580	0.5
172.05273	0.3
173.05983	14.5
174.06395	0.5
175.07584	0.7
181.04959	18.9
182.05360	0.7
182.92038	0.2
190.06345	0.3
191.07066	0.7
201.05444	0.7
205.08589	3.1
214.02571	0.3
221.08110	0.5
233.08099	7.6
234.08582	0.4
235.09636	3.3
239.08453	0.2
298.57437	0.2
387.14401	13.1
388.14844	1.3
399.13907	0.3
417.15421	23.2
418.15747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.3
53.03939	0.7
55.01862	0.8
57.03419	0.2
65.03941	2.1
67.05517	1.6
69.03433	1.6
71.04987	0.7
71.30586	0.4
77.03910	0.3
78.04714	2.9
79.05482	2.2
81.03400	0.8
81.07043	1.0
82.00578	0.3
82.04172	0.7
85.02901	1.5
85.06527	0.3
91.05476	2.0
93.03402	0.5
93.07021	0.5
95.04971	1.5
95.08605	0.6
97.02869	0.3
97.06522	0.9
103.05475	3.5
103.77155	0.3
105.03391	0.3
105.07029	1.1
106.04189	1.9
107.04964	2.7
107.08637	0.2
108.02074	0.3
110.03634	1.0
111.04462	0.4
115.05455	3.5
117.06203	0.3
117.07022	5.8
118.04156	0.8
118.07339	0.4
119.08551	0.4
121.02903	0.3
121.06521	0.3
121.10112	0.3
122.03617	0.5
123.04429	7.3
124.05222	2.6
125.05990	0.9
127.05445	0.6
129.06973	0.4
130.04150	0.6
131.04948	2.6
131.08560	0.3
132.05737	0.3
133.06461	0.9
134.03638	0.9
135.04346	0.3
137.05971	0.9
138.03137	0.6
139.07500	0.3
141.19505	0.3
142.02600	0.8
143.04904	0.5
143.08563	0.2
144.05728	0.4
145.06491	8.7
145.10153	0.4
147.08055	0.8
148.05190	1.4
151.03931	1.4
152.04666	2.2
153.05447	0.7
155.04814	0.3
155.06026	3.4
159.08049	0.3
160.05191	0.3
161.05959	0.6
163.07520	2.1
167.07037	100.0
168.07378	4.0
171.06554	1.0
173.05988	14.6
174.06393	0.8
175.07515	0.7
176.04779	0.4
179.07022	0.4
181.04961	29.6
182.05305	1.0
187.07480	0.5
189.05528	0.3
191.07021	8.5
192.07391	0.4
193.08682	0.3
195.06487	0.7
201.05434	1.0
205.08589	3.8
207.06494	0.3
209.08102	0.4
212.41519	0.3
217.08533	0.5
218.05553	0.3
219.08066	0.5
219.10078	0.6
221.08113	0.5
233.08080	9.5
234.08539	0.5
235.07443	0.4
235.09660	4.3
237.09117	0.4
251.06648	0.3
267.10223	0.3
341.10489	0.3
355.11862	0.4
357.13327	0.4
367.11935	0.3
381.13394	0.3
385.12787	0.7
387.14371	13.0
388.14609	1.5
399.14499	0.5
417.15424	25.3
418.15833	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01862	0.9
64.21785	0.4
65.03938	3.4
66.01581	0.5
67.05484	1.4
68.99812	0.4
69.25763	2.5
78.04704	2.7
79.05501	2.9
81.07040	0.8
82.04179	1.1
85.02898	1.9
91.05468	2.5
93.03393	1.4
95.04956	1.6
97.06537	1.4
102.46661	0.5
103.05468	6.7
105.03405	1.0
105.04501	0.5
105.07001	1.3
106.04158	1.8
107.04942	5.1
108.02095	0.7
110.03651	1.0
115.05459	3.9
117.07011	5.4
118.04152	1.4
119.04934	0.5
119.08529	0.5
121.06482	0.9
122.03669	0.5
123.04423	7.7
123.34011	0.5
124.05228	3.1
125.06019	1.2
127.05463	1.0
128.06181	0.5
131.04926	5.7
133.02841	1.3
133.06496	1.3
134.03644	0.9
137.06015	1.1
138.03114	0.9
142.02629	1.1
144.05624	0.6
145.06487	7.8
147.08139	0.6
148.05171	3.5
149.05942	0.6
151.03922	1.1
152.04694	2.6
153.05457	1.5
153.55473	0.5
154.06519	0.6
155.04877	0.7
155.06009	2.8
161.06009	1.1
163.07518	6.0
165.05533	0.9
167.07036	100.0
168.07404	4.1
171.06548	1.8
173.05981	14.8
174.06491	0.7
175.07530	1.2
176.04742	0.9
181.04956	46.5
182.05290	2.4
187.07611	0.6
188.49687	0.4
191.07033	22.9
192.07382	0.5
193.04942	0.5
193.08612	0.7
195.06490	1.5
201.05424	1.0
205.08638	2.9
207.06473	1.1
207.10124	0.7
209.08020	0.6
217.08607	0.7
219.10135	0.8
233.08099	8.9
235.07568	0.9
235.09627	4.5
245.08310	0.7
247.07492	0.5
249.64099	0.4
263.09253	1.2
271.06085	0.5
325.10693	0.6
329.10104	0.9
337.10779	0.5
357.13351	1.1
367.11978	0.5
369.13123	0.8
385.12778	1.4
387.14371	14.3
388.14871	1.2
399.14307	1.8
417.15411	25.5
418.15906	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.04742	0.3
52.50775	0.4
53.03936	1.1
55.01847	0.9
55.05505	0.5
60.51060	0.4
60.92273	0.5
65.03942	3.9
67.05511	2.9
68.99786	0.5
69.03412	1.2
69.07050	0.7
69.16642	1.1
69.17056	2.7
77.03912	0.7
78.04718	2.7
79.05502	4.3
81.03398	0.7
81.07041	1.8
82.04181	1.5
83.04963	0.8
85.02917	3.3
85.06562	0.5
91.05481	2.3
92.30470	0.4
93.03407	1.7
93.07026	0.4
95.04975	2.8
95.08595	1.5
97.02881	1.0
97.06535	1.1
97.10130	0.5
102.04706	0.7
103.05476	14.5
104.05772	0.6
105.03409	1.1
105.04547	0.8
105.07032	2.5
106.04177	2.2
107.04965	5.5
107.08565	1.2
108.02129	1.2
109.02897	0.7
109.06495	0.7
109.10152	0.9
110.03652	1.9
111.04422	0.7
115.05451	5.1
117.07025	6.1
118.04150	4.0
119.04937	0.7
119.08564	1.3
121.06433	0.5
121.10169	0.7
122.03679	0.6
123.04436	7.4
123.08031	0.5
124.05232	3.2
125.05972	1.6
127.05418	0.7
128.06262	0.5
129.06995	0.6
130.04166	1.4
131.04004	0.6
131.04936	10.7
131.08556	0.8
132.05724	0.6
133.02840	1.3
133.06479	1.9
133.10123	0.6
134.03719	1.0
135.04442	0.8
135.08049	0.8
135.11674	0.8
137.05957	2.3
138.03102	1.2
139.07481	0.6
142.02589	1.3
143.04933	0.7
144.05753	0.4
145.06474	8.2
145.10159	0.5
146.03587	1.0
147.04398	0.6
147.08026	1.2
148.05193	8.8
149.05934	1.2
151.03885	2.1
151.07550	0.9
152.04724	2.0
153.05447	2.4
155.06015	3.4
155.07065	0.6
157.06439	0.5
161.05962	1.4
163.07549	12.2
165.05559	0.5
166.02620	0.6
167.07045	100.0
168.07364	3.5
171.06506	2.1
173.05998	15.6
174.06441	0.4
175.07549	1.1
176.04701	1.6
177.05431	1.0
179.06964	0.7
181.04962	60.6
182.05309	2.0
183.06520	0.6
187.07521	1.4
191.07037	43.0
192.07440	2.3
193.08559	0.8
195.06569	1.9
197.07887	0.4
201.05470	0.9
205.08545	3.4
207.06563	1.3
207.10143	0.7
209.08092	1.3
217.08659	0.7
219.10246	1.8
221.08109	1.2
233.08105	9.1
233.10277	0.7
234.08482	0.6
235.09650	4.4
245.08089	0.6
248.77519	0.4
255.06520	2.2
263.09195	1.9
264.07681	0.8
267.10324	0.7
307.09518	0.8
325.10669	1.2
329.10205	0.5
339.12393	0.8
355.11771	0.6
357.13538	0.8
366.11423	0.6
367.11819	1.0
371.56061	0.4
381.13452	1.5
385.12863	1.9
387.14380	12.2
388.14850	0.8
393.27859	0.4
399.14352	1.1
415.12155	0.5
417.15475	26.4
418.15933	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.9
67.05486	0.4
69.03379	0.4
70.06565	0.3
78.04724	1.7
79.05467	0.8
81.03389	0.4
82.04184	0.4
84.77416	0.3
85.02881	0.8
85.48785	0.3
86.09710	2.0
91.05454	0.7
95.04948	0.5
98.23370	0.5
103.05478	0.9
105.06977	0.4
106.04140	1.0
107.04935	0.9
107.08602	0.4
115.05435	1.4
117.07011	2.3
119.04942	0.6
119.08561	0.3
123.04433	3.7
124.05212	1.4
127.05420	0.4
131.08530	0.3
134.03584	0.4
137.05943	0.3
140.84595	0.3
142.02658	0.4
143.05942	0.3
145.06497	4.2
147.08003	0.3
151.03929	0.8
152.04680	1.0
155.06067	1.8
167.07043	47.1
168.07370	2.0
171.06531	0.3
173.05986	6.6
174.06337	0.3
181.04961	8.4
189.08727	0.3
191.07106	0.4
205.08566	1.4
217.08641	0.5
221.05109	0.5
229.20485	0.3
233.08084	3.6
233.10239	0.4
235.09694	1.6
285.13129	2.1
387.14407	5.1
388.14868	0.6
417.17325	100.0
418.17688	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	417.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01535	0.7
55.01872	3.2
55.05519	2.5
57.03440	2.4
57.07076	3.2
59.04997	0.9
64.89649	0.7
65.03932	3.2
67.05511	6.2
69.03431	13.2
69.06237	1.9
69.06644	6.2
69.07047	4.6
69.36543	0.9
71.01334	0.8
71.04990	7.0
73.02908	1.0
78.04707	2.7
79.05486	5.2
81.03391	5.2
81.07058	11.9
83.04990	4.2
83.08607	1.2
84.04510	1.0
85.02901	13.7
85.03365	1.3
85.06548	12.3
86.09692	2.5
87.00840	4.1
87.96101	0.8
91.05473	5.4
93.07032	5.5
95.04964	5.2
95.08611	3.4
97.02883	5.0
97.06538	3.1
99.04463	2.4
100.11241	1.2
103.05463	2.9
105.01894	2.4
105.07021	4.9
106.04219	1.8
107.04971	3.6
107.07986	0.8
107.08579	5.8
109.02859	4.1
109.06532	3.8
109.09017	0.9
109.10154	11.5
111.04438	1.5
111.08080	3.4
113.06006	2.6
115.05477	2.8
117.07011	6.0
119.08589	3.4
121.06551	1.2
121.10154	5.1
121.14182	0.8
123.04424	8.7
123.08091	2.7
123.11710	14.9
124.05236	3.0
125.09599	1.3
127.03890	5.7
129.01892	1.1
131.08589	1.7
133.10144	3.6
135.11674	3.4
136.07555	1.0
137.06009	2.3
137.09659	1.0
138.03198	1.0
139.11198	4.4
145.04968	2.1
145.06480	8.2
145.10118	1.4
147.08099	1.7
147.11731	1.5
149.09599	1.3
149.13326	0.8
150.09273	1.0
151.03932	1.5
151.11171	9.6
152.04668	2.7
153.05476	1.3
153.12747	1.7
155.06035	3.3
159.02948	1.7
159.11670	1.3
167.07039	96.5
168.07405	3.1
169.12241	100.0
170.12642	3.4
173.05992	15.3
173.12961	0.9
174.06569	1.0
175.07538	1.2
181.04967	22.3
182.05223	1.0
182.15392	0.8
193.12259	1.0
201.05502	1.1
205.08609	2.7
210.14830	1.2
211.13156	0.9
215.71422	0.9
217.08760	1.0
219.26355	0.8
231.04898	1.1
233.08063	9.9
235.09628	4.4
237.14732	0.8
237.18472	0.9
296.10025	0.9
299.36392	0.8
387.14380	11.5
399.14435	1.2
417.15640	20.6
418.15887	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.05515	13.6
57.03439	4.8
57.07078	5.4
57.58192	1.1
62.65881	1.0
65.03946	1.6
65.06339	1.2
67.05508	42.6
68.05836	1.6
69.07067	10.4
69.27137	4.4
69.27549	3.5
71.05019	1.6
71.08627	4.4
79.05489	16.3
80.91374	1.2
81.03407	2.2
81.07059	56.9
82.07403	1.7
83.04981	1.3
83.08627	9.4
85.06551	1.4
91.05483	12.0
92.41501	1.3
93.07054	17.4
95.04977	2.1
95.08611	50.7
96.08943	1.8
97.06549	4.9
97.10184	3.9
97.79049	1.4
98.23345	2.4
98.98471	81.7
99.08092	2.9
105.07037	9.3
107.08585	10.0
109.10162	31.7
109.10908	1.8
111.08062	4.5
111.11694	1.3
119.08585	7.7
121.10172	11.9
123.08133	1.5
123.11711	13.4
124.68128	1.2
125.09648	1.3
133.10129	8.0
135.11716	7.2
137.09566	1.2
137.13284	7.6
147.11739	6.9
149.13258	7.8
151.14839	9.4
155.01042	100.0
161.13286	6.0
163.14877	6.3
165.16414	3.6
167.14369	2.4
175.14862	4.6
177.16411	1.3
179.18083	1.3
189.16399	3.4
245.22644	18.5
246.22937	1.5
246.96562	1.0
250.75868	1.3
263.20926	2.7
263.23724	48.9
264.24020	3.8
372.06812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05510	10.7
57.03437	7.3
57.07079	5.7
65.03949	1.2
67.05505	53.2
69.07062	10.4
69.23581	4.4
69.23995	2.1
71.08635	3.0
79.05495	16.7
79.57030	1.0
81.03407	2.1
81.07055	64.6
82.07377	1.8
83.04953	1.4
83.08611	8.0
85.06564	1.5
91.05486	13.4
93.07033	15.4
95.04958	2.4
95.08607	54.0
95.38432	0.9
96.08934	1.7
97.06528	6.3
97.10169	3.7
98.98464	88.1
99.08076	2.1
105.07036	9.5
107.08595	11.4
109.10154	26.6
109.10901	1.5
111.08069	3.1
111.11714	2.4
116.99457	1.3
119.08566	10.4
121.06352	1.0
121.10149	11.9
123.11707	13.4
125.09631	1.7
127.11156	1.4
133.10144	11.0
135.11694	8.2
137.09595	1.7
137.13239	6.1
142.63080	1.0
147.11665	6.5
149.13268	6.8
151.14822	7.6
155.01038	100.0
161.13240	7.4
162.37325	1.0
163.14812	4.4
165.16357	4.6
175.14764	5.5
177.16357	1.4
184.41246	1.0
189.16391	4.5
203.17943	1.3
207.17577	1.5
245.22646	22.0
246.22949	1.5
263.23712	46.0
264.24042	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	417.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98602	6.5
55.05515	16.8
56.02799	5.6
57.07094	7.6
67.05521	44.2
69.07074	29.8
69.12943	30.6
69.13354	19.1
71.04993	11.4
75.99567	6.8
78.66006	6.0
79.05483	33.6
81.07064	80.6
83.08613	17.0
84.62824	6.6
85.06532	8.3
91.05490	42.0
93.07051	62.9
95.04965	14.8
95.08618	80.1
97.06535	6.6
98.23328	14.9
98.98477	11.8
105.07037	97.0
107.08602	85.5
108.77206	6.0
109.06517	84.2
109.10156	47.5
111.08111	10.5
115.05456	6.0
117.07005	17.7
119.08582	91.3
121.06458	9.6
121.10139	67.1
122.10378	6.0
123.08088	17.3
123.11720	41.3
125.09647	8.1
128.06216	10.1
129.06999	9.8
130.07788	6.7
131.08572	48.4
133.10129	76.8
134.10442	8.9
135.08069	24.8
135.11713	60.5
137.09642	9.1
137.13225	10.2
141.06941	11.7
142.07774	18.7
143.08582	35.7
144.09402	6.5
145.10135	54.5
147.08049	18.9
147.11697	29.2
149.09636	13.8
149.13229	18.3
155.01077	6.5
155.08534	12.0
156.09288	9.8
157.10147	49.0
158.10915	10.0
159.08020	17.9
159.11726	32.5
161.09622	20.5
161.13242	17.1
163.11115	6.9
165.07008	14.9
167.08565	8.9
168.09453	8.2
169.10173	32.4
170.10941	8.7
171.11722	35.9
173.09622	14.1
173.13248	25.1
175.11237	10.8
175.14827	17.9
177.16440	11.4
179.08594	10.4
179.14273	8.0
181.10115	19.4
183.08046	7.1
183.11700	24.9
184.12442	9.6
185.09552	10.3
185.13278	23.1
187.11188	13.6
187.14795	21.7
189.12808	8.2
189.16451	15.4
192.09334	12.5
193.10115	16.1
194.10933	10.0
195.11731	30.8
196.12466	9.5
197.09576	8.2
197.13361	19.7
199.14819	18.7
201.12675	7.8
201.16377	7.8
203.17946	9.2
205.10197	12.9
206.10997	14.8
207.11665	23.7
208.12579	14.7
209.13264	22.4
210.13863	7.3
211.11212	14.1
211.14844	15.5
213.12776	13.4
213.16339	9.3
215.14253	10.7
219.11671	16.0
220.12468	7.1
221.13287	19.7
223.11395	8.1
223.14868	15.3
225.12781	15.7
225.16301	7.4
231.11682	8.2
233.13255	16.5
235.14871	17.7
237.16322	8.8
245.13147	7.1
247.14862	11.4
249.16492	10.2
251.14409	15.7
259.14951	9.5
273.16330	6.9
274.21555	6.8
277.15897	13.0
281.18964	11.2
289.16040	6.5
289.92188	6.8
301.19540	7.5
317.19156	6.5
359.23633	21.3
374.26044	11.4
375.26746	21.8
399.26892	21.6
417.16989	8.4
417.27725	100.0
418.28445	8.3
418.39044	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.1
56.05060	3.3
56.10602	2.4
60.04534	7.3
63.19804	2.8
63.87363	2.3
68.70057	2.5
69.07088	3.6
69.86475	4.5
69.86871	7.2
70.06597	15.1
72.08159	62.5
73.08508	10.8
74.06074	4.5
84.04500	5.8
84.08148	11.7
85.02922	4.1
86.09711	49.6
87.10055	12.5
88.03960	4.6
89.03925	10.5
91.05484	4.7
105.07031	4.2
107.04985	6.9
110.07167	7.7
116.07030	2.6
117.03387	30.6
119.04919	6.1
119.33302	2.4
129.10265	4.0
133.06519	3.9
136.07623	2.6
139.52783	2.6
140.24303	2.5
143.04971	2.8
145.02859	56.6
147.04427	9.6
149.06013	8.1
161.06000	5.4
167.07063	6.7
171.14999	9.3
172.15379	3.1
175.04002	3.9
177.05475	100.0
178.05807	5.5
181.04947	3.8
190.12682	3.5
201.12360	11.8
202.12773	4.3
203.07097	3.5
221.08194	2.7
229.11906	2.8
230.12192	4.9
418.13647	13.9
418.21313	7.5
418.26044	3.6
419.13351	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	418.1708
Annotation	 (1S,4R)-passicapsin
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.0
56.05035	2.0
57.03433	1.5
60.04526	100.0
61.02922	1.5
61.04855	0.7
62.50049	0.4
68.05042	0.6
69.03430	4.4
70.06592	1.0
70.69193	1.1
70.69572	0.5
71.04996	1.0
72.04513	6.4
73.02922	1.2
73.36881	0.5
74.06092	1.6
80.50881	0.5
81.03413	1.3
84.04497	1.7
84.08179	1.3
85.02911	10.5
87.04445	1.2
90.05557	15.6
96.04464	0.6
97.02896	4.6
99.04475	1.1
102.05553	1.6
107.04948	0.9
109.02895	1.2
115.03940	0.5
115.05495	0.8
121.06511	0.6
125.05958	0.5
127.03912	2.7
129.10257	0.6
129.63269	0.5
131.04947	0.8
132.06569	1.1
135.04491	1.1
137.05974	6.6
145.04950	1.4
149.05997	1.6
159.04449	0.5
160.01460	0.6
167.07054	1.6
168.06773	0.6
175.07550	1.3
177.05444	7.5
190.08624	0.8
191.07047	2.2
202.08617	0.5
203.07135	1.1
204.08650	2.3
218.50214	0.6
220.09737	1.9
221.08192	1.2
222.09781	0.5
234.09972	0.6
238.10765	4.1
256.11786	30.7
257.12161	1.7
280.11877	0.8
382.14877	1.5
400.16013	5.8
418.17093	23.5
419.17236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53507	0.5
55.01886	0.7
56.05037	1.7
57.03439	1.6
60.04528	100.0
61.02925	1.8
61.04871	0.6
62.48177	0.6
69.03432	6.5
71.29572	0.5
71.29970	0.8
72.04521	6.7
72.08135	0.9
73.02908	1.7
74.06073	1.4
81.03420	1.7
81.72712	0.5
84.04516	1.4
84.08142	1.1
85.02911	12.5
86.09731	0.8
87.04488	1.2
90.05555	16.8
90.80420	0.6
91.04002	0.7
94.06569	0.7
94.93016	1.9
97.02882	3.9
98.97536	0.6
99.04465	1.2
102.05561	1.0
109.02895	2.1
115.05479	0.6
121.06577	0.6
124.03934	1.2
127.03894	2.5
129.10234	0.7
131.04924	1.0
132.06601	1.0
133.02779	0.6
133.05023	0.6
134.31068	0.6
135.04433	0.8
136.94026	11.3
137.05969	6.9
145.04945	1.6
148.94044	3.8
149.05978	1.0
157.34834	0.5
159.04492	0.7
160.05305	0.7
160.87491	0.6
166.95087	5.6
167.07062	1.4
175.07593	0.9
177.05457	6.1
189.03870	0.8
191.07080	2.2
196.96178	2.1
203.06987	1.2
204.08655	0.8
220.09750	2.1
221.08118	1.1
222.09688	0.8
238.10709	4.2
256.11792	31.9
256.98346	0.8
257.12170	1.1
354.35324	0.6
400.16193	0.7
418.11908	1.0
418.17081	18.2
419.03134	1.3
419.17380	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88072	2.4
55.05534	2.7
56.05036	4.6
56.90026	2.2
56.96575	13.8
60.04530	38.7
61.02941	3.1
63.34342	2.0
68.76008	2.2
69.03437	4.9
69.11074	18.2
70.06607	12.7
71.04994	2.9
72.04528	5.1
72.08170	15.4
73.02908	3.5
74.06083	4.1
75.85529	2.3
79.05515	3.0
84.04501	6.8
84.08140	22.7
84.96055	3.0
85.02916	12.2
86.09715	25.3
90.05575	3.6
93.00085	2.4
97.02905	4.6
98.23322	3.3
98.97585	33.5
102.96885	5.7
103.05486	5.1
106.06561	9.2
110.97563	7.0
116.98634	13.8
119.77547	2.1
120.08113	100.0
120.97874	2.5
121.08464	4.0
124.07571	16.5
128.98637	4.9
129.10262	12.4
130.04997	2.7
131.05043	3.5
134.99672	5.5
137.05969	3.9
143.00102	3.0
145.04958	2.3
146.99615	3.3
147.07619	4.6
152.83116	2.5
154.06165	5.0
158.99623	4.3
159.07495	2.3
166.08650	44.2
175.07501	2.4
177.00687	3.3
177.05460	3.2
214.11818	3.9
219.01826	9.3
230.03445	2.7
232.04959	2.6
232.96548	2.7
237.02870	10.4
255.04509	3.0
256.11926	7.8
274.97495	6.1
275.50949	2.4
278.96887	9.4
289.10583	3.0
292.98660	4.0
296.97992	7.1
326.95667	2.3
336.59106	2.9
358.08096	5.0
361.18256	2.5
373.10971	3.4
376.09286	6.4
418.06949	4.3
418.12579	4.4
418.17349	20.1
418.25537	7.6
419.15298	73.5
436.05145	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	419.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41339	1.6
56.96563	2.0
60.00520	1.7
60.04522	1.7
67.05515	2.6
67.06040	1.8
69.73792	6.4
70.06593	4.9
72.08154	3.4
74.18674	1.8
86.09700	15.1
95.04968	2.4
97.02934	1.9
98.97564	9.8
109.10171	3.1
110.97585	2.9
116.98620	3.4
130.48370	2.3
133.06529	1.8
137.05988	6.1
158.99666	3.1
161.05974	3.8
167.06996	4.1
180.94920	1.9
193.08685	2.8
205.08563	2.1
219.01666	3.6
237.02890	6.1
287.08115	2.6
305.09134	6.3
419.13062	100.0
419.21570	12.9
420.13492	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	419.1315
Annotation	Flustramine M
Peak:m/z	Relative Intensity
55.00895	2.0
55.05500	2.4
60.04541	4.1
64.68151	2.0
69.07050	2.0
70.06597	3.8
72.08166	6.5
74.06068	2.3
80.38738	1.9
80.78339	1.9
84.08107	2.7
85.02927	2.4
86.09711	26.8
98.97575	5.6
105.07084	5.2
121.58418	2.1
133.06480	7.5
137.05965	15.3
142.06546	2.1
158.99669	3.2
163.07530	2.9
165.09100	4.5
167.07056	3.1
173.12880	7.1
183.10237	2.7
194.09085	1.9
201.12367	6.3
207.92482	2.3
209.33981	1.9
219.13319	3.8
249.02924	5.0
291.03891	3.2
305.08975	2.2
344.16342	2.4
419.13159	100.0
419.21637	10.9
420.13434	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	419.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
55.05509	6.0
57.70649	4.4
58.01643	3.7
64.50286	4.1
67.05503	9.8
76.98721	3.6
79.05497	9.2
79.12499	3.7
81.07071	10.1
91.05491	11.4
93.07054	11.2
95.08627	11.0
105.07008	21.7
107.08588	16.8
109.10139	5.8
115.70944	3.7
117.07050	6.1
119.08601	23.2
121.06562	4.5
121.10146	7.1
123.04456	4.5
129.07030	8.0
131.04909	5.4
131.08600	28.4
133.06514	6.2
133.10156	11.4
135.08081	4.5
143.08557	19.4
145.10147	34.3
147.11700	5.8
149.13213	7.5
155.08618	7.7
156.09306	4.0
157.10173	18.6
159.08099	4.0
159.11690	10.5
161.09689	6.9
161.13335	9.9
167.07072	12.1
169.10161	7.1
170.10909	4.9
171.11690	15.9
173.13310	16.1
177.05594	7.9
181.04990	6.8
183.11740	14.6
185.13269	16.9
187.14856	46.2
188.15154	4.3
191.06996	6.2
193.08832	4.4
195.11719	7.8
197.13257	7.5
199.14857	13.6
201.16409	11.6
202.48978	3.6
203.14302	7.8
209.08083	10.8
209.13306	3.5
211.14810	10.9
211.89925	3.9
213.16429	13.6
215.14355	6.2
219.10126	4.2
223.14812	4.7
225.16293	6.4
235.14793	5.4
253.19354	5.0
331.24231	4.3
373.29025	17.2
401.28540	8.1
419.14551	70.3
419.29459	100.0
420.29910	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	419.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92331	0.3
53.16246	0.4
56.96561	0.8
59.26704	0.4
59.61567	0.4
60.04511	0.8
69.03419	0.5
69.61467	1.5
70.06599	1.2
71.08657	0.4
72.08161	1.5
74.06105	0.5
84.08147	0.6
85.02984	0.5
85.28803	0.4
86.09705	3.9
98.23241	0.6
98.97583	2.7
110.97584	1.0
116.98657	0.8
122.78307	0.5
128.98633	0.5
135.65437	0.4
219.01820	1.3
237.02888	1.3
278.97028	0.4
287.10999	3.3
299.04050	0.8
317.04785	1.3
317.08310	0.5
321.08783	0.7
333.07965	2.3
335.09521	1.2
359.09851	0.6
374.14999	0.4
401.10175	0.8
419.15317	100.0
420.11484	2.4
420.16507	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	419.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
59.87572	0.4
69.03423	0.7
69.20143	3.1
69.20551	1.1
70.78827	0.4
76.71284	0.5
78.04717	0.5
79.05498	0.7
81.03412	0.6
81.07059	1.7
85.02915	1.2
91.05487	0.6
93.07061	0.8
95.01120	0.6
95.08584	0.6
96.45255	0.4
97.02740	0.6
98.23378	0.8
99.04483	0.4
105.07037	0.7
107.04976	1.1
107.08591	0.7
109.02882	0.6
109.10164	0.7
115.05452	0.8
117.07066	0.7
123.04465	0.8
127.03861	0.8
129.06961	0.5
131.04924	0.5
131.08556	0.5
133.10077	0.4
135.11693	0.9
137.05763	1.8
141.07047	0.5
144.05646	0.5
145.10159	0.5
149.06006	0.6
153.12721	2.8
159.08095	0.5
167.07045	3.8
168.07413	1.3
169.04712	0.9
169.07565	0.7
177.05501	2.0
181.04965	3.9
183.06656	0.5
186.05042	0.6
191.07040	1.1
201.03735	1.2
203.05260	2.0
205.08516	0.6
209.08073	2.8
249.11241	1.4
257.11581	0.6
401.15796	0.7
419.16745	100.0
420.17142	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	419.1888
Annotation	Asp Glu Arg
Peak:m/z	Relative Intensity
50.89235	0.3
55.01873	0.5
55.05511	0.3
56.14235	0.3
59.15925	0.3
66.00876	0.3
67.05525	0.3
69.03439	1.5
69.19152	2.1
69.78232	0.3
73.02921	1.9
79.05511	0.5
81.03420	0.3
85.02900	1.8
91.05508	0.4
93.07038	0.3
95.04952	0.3
97.02930	0.6
103.03951	0.3
103.05441	0.5
105.07030	0.8
107.04952	2.0
107.08551	0.4
108.93594	0.3
119.08623	0.5
121.10123	0.3
123.08095	0.5
125.09651	1.1
128.06177	0.3
131.08580	0.4
137.06020	1.4
145.05063	0.4
155.01907	0.3
155.03094	0.4
163.07533	0.4
167.07057	1.2
168.07388	0.3
177.05511	0.5
181.04965	0.8
182.05220	0.4
202.01901	0.3
250.92538	0.3
287.14700	1.5
290.23672	0.3
410.47137	0.3
419.18884	100.0
420.19238	6.9
420.24515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03130	9.8
53.15266	8.2
54.35210	8.1
55.01876	49.8
55.05514	22.4
57.03443	15.2
57.07080	35.5
61.02911	9.2
67.05530	16.0
69.03424	75.7
69.07077	22.8
69.33631	67.0
71.05006	17.4
73.02925	14.2
79.05515	26.6
80.74642	9.4
81.03424	57.8
81.07061	55.6
83.04990	13.4
85.02907	100.0
85.06564	30.9
86.09692	9.5
87.00832	31.1
89.03613	8.7
91.05477	26.9
93.07056	33.7
95.04947	18.7
95.08614	34.3
97.02906	45.7
97.06541	13.0
99.04475	25.1
99.08101	43.0
99.08712	10.6
101.59824	8.6
103.05463	12.6
105.01851	19.3
105.07047	33.8
107.04926	11.7
107.08608	24.9
108.08902	14.0
109.02901	49.0
109.06525	24.9
109.10172	23.3
111.00794	22.8
111.08090	36.5
113.09664	13.5
113.74108	9.1
119.08594	21.2
121.06507	23.2
121.10127	16.0
123.08072	39.1
127.03897	45.3
131.08539	10.8
135.08061	22.0
137.06000	17.1
137.09619	19.6
141.07033	11.6
145.05038	28.5
147.04474	9.9
147.11697	13.0
149.06084	13.3
151.11188	17.1
153.12764	58.3
155.14345	30.3
159.02888	15.4
159.08023	11.8
161.06085	15.5
167.07050	28.9
168.07385	15.7
169.07600	12.8
171.02931	10.3
175.11180	11.3
177.12741	16.5
179.10796	18.3
181.04980	21.8
191.05447	18.1
191.07095	13.8
193.12277	19.8
195.13799	17.3
235.13206	12.3
334.70541	11.1
419.17038	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	2.9
69.18713	1.2
70.45860	1.4
70.67944	1.6
70.68272	1.9
76.36836	1.2
79.05484	7.8
81.07082	1.5
85.06552	2.1
90.62025	1.2
91.05482	7.5
91.27692	1.4
95.05022	2.8
96.91387	1.3
103.05481	7.0
105.07034	53.7
106.07391	2.1
107.04959	6.6
115.05460	24.7
117.07033	2.2
118.04162	4.3
119.08605	3.0
123.04426	2.3
128.06184	2.0
129.07060	2.9
131.04936	3.9
131.08578	2.0
132.05699	5.2
133.06499	47.7
134.06889	2.3
141.07004	1.8
143.04919	4.8
143.06070	3.3
145.06529	3.6
147.08055	11.1
149.02428	1.7
157.96964	1.3
158.07288	1.7
159.08116	2.9
161.05986	100.0
162.06319	4.7
167.07039	27.2
173.09598	1.7
175.07549	24.4
176.07823	1.8
181.08594	3.1
187.07596	4.3
193.08611	59.2
194.08946	4.5
197.08173	1.6
201.09085	3.8
207.10144	10.5
217.51649	1.3
219.10161	2.0
233.11714	11.1
313.90091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95969	1.1
55.01870	2.1
67.05502	2.1
70.63034	2.9
78.04722	1.6
79.05479	9.3
82.51071	1.3
91.05494	9.8
93.07030	1.6
103.05482	8.5
105.04565	1.7
105.07033	59.0
106.07374	2.9
107.04965	4.3
115.05450	23.2
117.06995	2.5
118.04171	4.8
119.08595	4.4
123.04443	4.9
124.05171	1.5
128.06140	2.2
129.06961	4.1
130.84225	1.1
131.08586	2.4
132.05721	3.5
133.06493	52.7
134.06827	1.5
136.83073	1.4
137.06033	1.2
141.07011	2.6
143.04921	6.8
143.06064	4.3
144.05714	1.9
145.06477	3.5
145.10130	1.8
147.08032	9.4
157.06514	1.8
158.07280	1.7
159.08023	3.5
161.05983	100.0
162.06329	4.9
167.07050	30.5
168.07391	1.9
173.09631	3.4
175.07555	33.1
176.07896	2.4
177.05450	1.5
181.04953	1.9
181.08569	3.7
187.07504	3.7
193.08606	56.3
194.09000	2.4
201.09148	4.2
207.10162	13.2
219.09952	2.0
223.78114	1.3
233.11743	11.3
383.16699	1.3
428.07510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.264
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.00304	3.9
53.03946	8.2
55.01875	36.2
55.05511	7.1
57.03452	5.7
60.97945	3.4
65.03934	12.2
67.05502	16.1
68.99791	4.5
69.03437	19.5
69.07065	9.1
69.92469	7.6
69.92866	6.0
71.04980	8.6
74.30853	3.0
79.05494	15.0
81.03419	12.9
81.07061	23.4
83.01334	5.0
83.04995	4.3
83.08603	3.6
85.02894	16.9
85.06528	4.0
87.00788	3.8
91.05476	16.8
93.03397	3.2
93.07038	10.3
95.04964	13.4
95.08614	21.3
97.02869	6.1
97.06530	6.7
103.05479	18.6
105.07041	30.8
107.04957	19.4
107.08578	16.2
109.02891	6.3
109.06517	3.6
109.10136	10.9
111.00809	9.0
115.03924	4.2
115.05486	4.0
117.07004	11.4
118.04150	6.3
118.07349	5.6
119.08582	15.3
121.06518	8.4
121.10133	8.9
123.04420	12.5
123.11700	4.5
125.06024	4.8
127.03879	9.5
128.06215	4.9
129.01811	3.5
131.04945	21.0
131.08566	13.4
133.02914	4.4
133.06459	10.1
133.10118	9.3
135.08012	5.0
135.11691	11.3
137.05890	3.6
143.08553	10.6
144.05696	7.0
145.06511	4.7
145.10124	12.9
147.08089	6.3
147.11662	5.2
148.05182	11.5
149.05922	10.6
157.06468	3.5
157.10098	6.0
159.07962	4.3
159.11728	8.1
161.05971	11.5
163.07570	18.2
167.07042	69.6
168.07382	27.0
169.07518	19.6
171.02924	4.8
171.06464	6.7
173.05949	6.3
174.06419	3.7
177.05528	32.5
181.04945	100.0
181.06183	4.1
181.10152	3.6
182.05319	23.6
183.05309	17.8
187.07529	10.8
187.14767	5.5
191.07033	72.3
192.07346	11.9
199.14784	5.7
203.17992	5.8
205.08620	7.0
209.08112	40.3
219.10155	7.9
247.09563	8.3
249.11194	8.6
255.11070	4.4
263.07144	4.1
268.72311	3.3
293.08011	4.0
297.16190	3.5
330.10825	5.3
369.12936	5.4
389.15137	7.4
401.15720	9.5
401.22986	4.3
419.16595	26.6
419.21317	5.7
419.29510	11.2
420.16693	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	419.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01878	9.7
55.05515	29.8
57.03435	6.0
57.07080	12.6
57.69383	1.6
61.02922	4.3
65.03935	3.7
67.05505	45.5
68.73674	1.4
69.03434	13.8
69.07072	49.6
70.90939	2.4
71.01336	3.1
71.04996	6.3
71.08636	4.1
73.02915	6.6
79.05496	31.2
81.03432	14.8
81.07062	97.0
82.07417	1.9
83.04968	7.4
83.08629	19.3
85.02904	9.7
85.06529	8.1
87.04485	2.7
91.05482	28.1
91.06068	1.8
93.03402	1.5
93.07046	45.8
94.07339	1.8
95.04982	14.1
95.08611	100.0
97.02876	10.9
97.06544	6.9
97.10172	13.1
99.04476	6.4
99.08080	1.9
103.03938	7.2
103.05475	3.1
105.07030	34.6
105.07671	2.8
107.04965	7.3
107.07864	2.8
107.08595	48.2
108.08894	1.5
109.02886	1.7
109.06506	9.4
109.10158	61.0
111.00775	2.1
111.04452	10.0
111.08092	10.2
111.11739	5.6
113.02383	1.5
115.03951	5.0
117.05513	3.8
117.07040	9.1
119.08589	35.0
121.06503	8.7
121.10138	29.9
122.10493	2.4
123.04444	6.2
123.08086	6.8
123.11713	37.5
123.12559	3.2
125.06014	3.5
125.09650	5.8
125.13313	1.7
127.03925	4.9
128.06235	3.0
129.05510	5.1
129.07007	3.9
130.07761	2.2
131.08563	18.2
133.06516	6.2
133.10144	26.2
135.08057	11.4
135.11707	22.0
137.05998	2.5
137.09616	17.9
137.13254	19.0
138.09932	1.8
139.07474	1.6
139.11176	3.9
141.05548	2.1
141.07030	2.1
142.07826	3.6
143.08582	12.4
145.06479	1.7
145.10130	24.8
147.08015	7.6
147.11711	13.6
149.06003	2.3
149.09602	7.4
149.13261	17.8
150.13480	1.7
151.07550	2.5
151.11234	3.5
151.14882	3.5
151.25893	1.4
153.09062	1.6
155.08563	2.9
157.10135	10.7
159.08066	5.5
159.11711	17.6
161.09631	5.9
161.13271	13.8
163.07596	1.8
163.11223	6.3
163.14818	10.3
165.09163	3.0
165.12802	2.0
166.09627	1.8
167.07088	4.5
167.10771	2.0
169.10184	2.8
171.02885	2.1
171.11702	6.6
173.09648	3.2
173.13304	13.4
175.11229	5.0
175.14877	8.2
177.05484	2.2
177.09140	3.2
177.12752	3.4
177.16380	8.7
179.10672	3.6
181.05058	3.7
181.08636	2.4
181.10095	2.1
182.05347	2.1
183.10226	2.1
183.11702	3.6
185.13313	5.6
187.11258	2.1
187.14853	7.4
189.12762	3.5
189.16458	5.4
191.10687	3.0
191.14352	3.1
191.17996	3.8
193.10159	2.3
195.10152	2.4
197.13304	3.8
199.14864	4.7
201.12956	1.9
201.16420	4.6
203.14282	2.3
203.17998	4.7
205.19704	2.2
207.10283	2.4
209.08110	2.6
209.11734	5.8
211.14984	2.8
213.16396	5.6
215.14548	2.6
215.18042	4.6
217.15936	2.0
217.19577	2.2
223.13272	2.5
225.11284	2.3
227.12709	7.8
227.17993	2.6
229.15952	1.8
229.19490	3.2
233.41794	1.5
253.19464	1.6
259.16916	2.2
273.25977	4.2
285.25888	5.4
297.25668	2.9
299.27399	4.1
303.26843	1.9
311.27420	2.2
315.27026	4.7
327.26910	4.6
329.28522	5.2
341.28555	3.1
353.28687	2.6
359.29446	4.6
365.28531	4.2
371.29636	5.7
383.29504	18.3
384.29803	1.9
389.30618	4.0
401.30493	29.6
402.31009	3.4
419.16782	5.1
419.31589	69.0
420.32065	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71864	2.7
53.03945	4.3
55.01870	5.3
57.03445	3.3
61.02917	5.0
65.94375	3.1
66.03693	3.3
67.05510	6.4
68.67696	2.9
69.03427	11.6
70.06591	43.5
70.59032	3.1
71.04995	4.9
71.22771	3.1
71.31688	5.2
72.08160	12.3
74.06055	3.2
79.05487	6.9
85.02914	41.1
86.09715	13.4
89.87487	2.9
91.05473	15.7
92.53567	3.2
95.04968	17.0
97.02905	10.5
99.04472	6.3
103.05487	9.2
109.02862	24.0
112.08750	8.8
115.03931	3.5
115.05453	13.3
116.07078	3.4
117.07026	33.1
120.08138	12.8
121.06507	10.4
123.04465	6.3
127.03931	5.1
129.10226	3.9
131.04926	19.6
131.08563	10.2
135.08011	6.9
137.05975	100.0
138.06319	4.5
141.05455	6.8
141.06967	3.8
144.05719	4.3
145.02873	3.8
145.05261	6.6
145.06470	49.0
149.06020	3.4
151.03891	4.6
159.08069	43.5
161.06004	7.1
163.07553	70.6
167.07071	6.3
175.11951	4.6
177.05466	7.7
177.09079	34.9
178.46176	2.8
205.08592	86.8
205.10481	4.4
206.08858	3.5
211.15652	4.5
223.09639	73.0
241.10814	15.5
258.08099	4.9
421.26315	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01863	6.1
57.03434	11.9
61.02931	12.7
69.03428	21.8
69.34442	7.8
69.34852	2.3
71.01358	2.8
73.02920	61.5
81.03410	5.4
85.02905	52.5
87.04467	3.2
91.03968	2.4
91.05480	100.0
92.05811	1.8
97.02273	3.5
97.02889	55.2
98.03240	2.0
99.04446	2.0
103.03928	3.6
105.07025	2.7
109.02878	3.7
113.38793	1.6
115.03931	22.5
124.92523	1.6
127.03911	18.4
129.06961	3.1
131.08540	1.5
133.04967	24.8
133.06517	4.5
142.23232	1.5
145.04942	27.0
145.06497	3.3
146.94957	1.6
150.07585	4.6
157.06448	2.4
161.04485	1.9
163.06012	8.2
205.08600	1.9
223.06093	3.5
239.16635	1.6
241.07092	5.2
253.10789	3.0
259.08209	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37286	5.9
53.03944	11.0
55.05518	15.4
57.03425	11.4
57.60217	6.2
59.99535	6.8
60.04510	10.2
60.60859	7.2
66.56445	6.0
67.05502	19.3
69.03416	31.2
69.43375	29.7
70.06599	8.8
71.04980	17.3
72.08159	12.5
74.06093	8.8
79.05493	16.6
81.03432	21.7
81.07071	26.1
83.04987	14.2
84.04498	13.7
85.02916	54.9
85.06541	15.8
86.09718	27.7
91.05496	24.0
92.84538	6.4
93.07047	44.7
95.05000	19.1
95.08620	24.7
97.02901	26.0
97.06560	13.4
99.04453	12.8
101.16357	6.4
105.03422	7.8
105.07050	22.6
107.04959	11.0
107.08604	43.7
107.09289	5.9
109.02913	13.0
109.06543	37.5
109.10150	39.1
110.06020	7.9
111.04433	6.5
113.06013	7.8
117.06993	16.2
119.08545	13.4
121.06543	18.2
121.10153	24.1
123.08044	37.6
123.11697	10.1
125.05936	7.8
125.09677	11.6
126.05517	10.1
127.03974	14.8
135.08070	52.1
135.11711	18.6
137.05984	100.0
137.09644	17.1
138.05498	10.2
139.07478	7.0
145.06497	29.5
145.10156	18.2
147.08118	12.7
149.05998	10.8
149.09644	29.2
151.11110	11.4
156.06558	17.6
159.11708	22.5
163.07571	18.3
163.11195	24.8
165.09164	10.0
167.07068	26.3
167.10722	10.5
175.11211	15.0
177.12762	23.9
186.10591	7.8
193.12228	50.6
199.75090	6.9
205.08681	19.0
205.12209	46.9
205.53705	6.5
211.13348	23.6
223.09761	21.6
223.13269	77.6
241.14316	19.7
284.97614	6.6
351.41257	7.3
420.17343	21.2
421.16684	85.9
421.25494	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
53.52204	0.5
55.01872	0.8
55.05527	1.2
55.60685	0.5
57.03418	0.7
57.07072	2.4
61.02923	0.9
66.89568	0.5
67.05511	4.7
68.08651	0.5
69.03436	4.6
69.07084	5.2
70.15163	0.6
70.15508	1.7
71.04969	0.9
73.02896	0.9
79.05492	9.1
81.03422	2.3
81.07060	100.0
82.07377	2.8
83.08607	0.5
85.02913	10.3
85.06528	0.7
87.00829	4.4
91.05483	1.2
93.07056	2.2
94.22628	0.5
94.82778	0.5
95.04968	0.7
95.08611	20.4
96.08948	1.0
97.02902	6.3
99.04453	1.5
105.01871	6.4
105.07024	1.7
107.08593	1.3
109.02894	2.0
109.06504	0.6
109.10178	1.9
117.06992	0.5
119.08578	1.5
121.10165	1.1
123.08033	0.6
123.11754	0.6
127.03921	7.4
128.04324	0.6
133.10147	1.5
135.08058	0.6
137.13261	18.8
143.56053	0.5
145.04959	5.5
145.10168	0.9
149.13303	0.5
154.41258	0.5
157.10106	1.0
159.02960	1.3
161.13315	0.6
171.11732	0.8
173.13342	0.6
199.14963	0.5
231.02805	0.6
231.05055	1.3
238.06511	0.6
249.06059	0.7
421.22205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
54.90182	0.7
55.01873	1.4
55.05510	2.2
57.03446	1.0
57.07075	2.4
65.03954	0.9
67.05513	6.1
69.03449	4.7
69.07078	4.9
69.85932	1.3
69.86321	1.9
71.05000	1.2
73.02946	1.1
79.05499	9.8
81.03406	3.4
81.07065	100.0
82.07399	2.6
85.02914	10.7
87.00827	5.1
91.05482	2.2
93.07056	2.6
95.04980	1.1
95.08617	24.4
96.08971	1.3
97.02893	7.0
99.04478	1.4
105.01877	7.4
105.07037	2.5
107.08582	1.6
109.02905	3.1
109.06504	0.7
109.10170	1.7
119.08585	2.2
121.10159	1.3
123.11757	0.9
127.03932	9.2
131.08597	1.1
133.10133	1.4
135.11653	0.9
137.13266	20.5
137.14316	1.0
145.04961	6.2
145.10159	1.5
147.11714	0.9
149.02393	1.9
157.10146	1.1
159.02905	2.1
159.11636	1.0
193.05034	2.8
218.67476	0.8
228.90523	0.7
231.05035	2.9
385.09265	1.1
396.88791	0.7
420.20197	1.1
420.31271	2.8
421.15720	0.8
421.21857	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.9705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88078	1.0
56.00519	1.0
56.96570	2.0
65.31337	1.1
70.34700	1.7
70.35034	2.2
71.70164	1.1
92.59673	1.2
94.02209	1.1
98.16369	1.0
98.97580	25.5
101.87906	1.1
104.99272	100.0
105.99595	1.4
116.98619	12.8
134.99629	5.2
147.96927	1.1
164.92120	1.3
180.97884	3.7
198.98909	5.8
214.95403	1.2
224.99182	1.1
232.96474	1.8
247.00421	14.3
248.00623	2.4
250.97490	2.0
256.96570	4.3
262.98151	23.4
273.86441	1.3
274.97504	35.0
275.97839	1.9
278.95401	1.3
292.98541	23.1
338.96762	76.9
339.97083	1.8
356.97858	20.6
379.99612	6.2
383.60858	1.1
420.97656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82848	0.3
55.05501	0.4
58.12155	0.4
62.38552	0.4
67.05502	1.0
69.07061	1.1
70.06593	0.5
70.93792	0.5
70.94128	0.6
71.04989	0.9
79.05486	1.1
81.07047	1.8
91.05501	1.8
93.07036	1.7
95.04953	0.8
95.08604	2.5
105.07047	2.6
107.08585	1.8
109.10150	0.8
115.36526	0.3
115.43331	0.4
117.07015	0.8
119.08591	2.8
121.06565	0.5
121.10125	0.8
128.06186	0.4
129.06992	0.8
131.08566	2.6
133.10133	1.2
135.11696	0.5
137.05980	1.5
143.08565	1.1
145.10123	3.1
147.11691	0.7
156.09277	0.4
157.10120	1.1
157.18245	0.4
159.11687	1.8
161.05951	0.4
161.13211	0.8
163.14845	0.7
167.07060	1.2
169.10138	0.9
170.45822	0.4
171.11719	0.9
173.13261	2.4
175.14870	0.7
177.16382	0.5
181.04887	0.5
183.11638	0.8
185.13190	0.5
187.14777	2.5
189.16368	0.5
191.14346	0.6
197.13232	0.5
199.14795	5.3
201.16435	0.8
203.05321	1.1
203.14281	0.9
203.17902	0.5
210.61816	0.4
211.14871	0.4
213.16382	0.6
217.08493	0.5
227.17978	0.5
241.12059	1.2
243.13649	2.0
259.13153	0.8
286.13159	0.4
375.30402	2.6
403.29825	0.8
421.18298	100.0
421.30219	5.6
422.13309	0.7
422.18655	9.0
422.31250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58804	0.5
63.34119	0.5
70.62513	1.4
72.06644	0.5
81.07034	0.6
93.07001	0.6
95.01098	1.1
97.02718	0.9
105.07035	1.1
107.08562	0.6
109.10223	0.8
112.01260	0.6
113.02146	1.7
119.08566	0.7
127.03722	0.7
133.10114	1.1
137.05865	3.1
138.02927	0.7
140.67351	0.5
145.10132	1.0
157.04753	0.8
163.16254	0.6
168.71211	0.6
169.04756	1.6
185.04257	1.4
185.13135	0.6
187.14821	1.0
201.03755	2.7
209.08018	0.7
240.86543	0.5
255.07227	0.5
299.11136	1.0
300.11792	1.9
301.12601	1.1
403.30222	0.7
421.18347	100.0
421.30554	2.0
422.18741	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	421.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.3
65.07414	0.3
66.38158	0.3
67.05503	0.6
69.07082	0.3
70.06593	0.3
71.31284	0.3
79.05490	0.7
81.07056	0.5
83.01090	0.7
85.02903	0.5
91.05483	0.8
95.01106	0.9
95.04980	0.5
95.08598	0.5
96.01892	1.4
97.02642	1.3
98.70520	0.2
105.07068	0.7
107.04932	0.3
107.08588	0.5
111.04230	0.3
113.02157	1.4
119.08586	0.4
123.04400	1.1
125.02142	0.7
127.03712	1.3
131.08647	0.5
133.06505	0.3
135.08098	0.3
137.05794	3.1
139.03682	0.3
140.04671	0.4
141.05193	1.2
143.08624	0.3
145.10139	0.7
151.03932	1.7
151.04918	0.2
151.07581	0.2
153.05519	0.8
156.03934	0.3
157.04785	0.9
157.10104	0.3
159.11729	0.3
160.64676	0.2
167.07069	1.5
168.03998	0.3
168.07635	0.3
169.04733	2.8
177.05728	0.3
178.06096	0.3
179.06990	0.3
181.05008	0.3
183.06567	1.5
185.04248	0.7
185.13342	0.4
186.05000	0.7
187.14835	0.6
196.07193	0.4
201.03725	2.2
203.05251	3.2
218.04060	0.4
225.07704	0.4
227.45985	0.2
233.11752	0.5
238.54941	0.2
241.12038	1.0
243.13597	1.4
259.13095	0.7
300.11978	0.4
336.92749	0.2
403.29913	0.3
421.18347	100.0
422.18707	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	421.1833
Annotation	Arg Asp Met
Peak:m/z	Relative Intensity
67.05495	0.4
69.26724	1.6
78.51275	0.2
81.07076	0.4
83.01097	0.8
83.75380	0.3
91.05490	0.6
93.07072	0.6
95.01092	2.2
95.04979	0.4
95.08625	0.6
96.01869	1.7
97.02663	1.7
98.22646	0.6
105.07047	0.7
107.08638	0.3
107.63928	0.3
109.10156	0.3
112.01392	0.3
113.02129	1.7
114.02887	0.3
116.45114	0.3
119.08579	0.8
121.10160	0.4
123.78553	0.3
125.02139	0.9
127.03736	1.0
128.04482	0.6
131.08562	0.4
133.06575	0.3
133.10161	0.4
135.24944	0.2
137.05765	4.2
139.03708	0.5
141.05255	1.0
143.08585	0.4
145.10143	0.9
155.03104	0.4
156.03954	0.4
157.04756	1.1
157.10214	0.5
158.05530	0.6
159.11725	0.5
168.04024	0.3
169.04732	2.6
185.04260	0.7
186.05011	1.0
187.14885	1.4
197.09654	0.3
201.03738	1.8
201.16429	0.5
203.05267	2.3
203.14359	0.4
218.03990	0.2
241.09932	0.3
241.12041	1.3
243.13589	2.1
259.13031	0.5
300.11859	0.7
301.12390	0.4
335.47708	0.3
403.30264	0.4
421.18329	100.0
422.18680	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	421.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.2
55.01866	1.5
55.05502	2.7
57.07064	0.9
60.07134	0.9
67.05507	7.1
69.03430	8.2
69.07057	3.1
71.04996	1.3
71.30641	1.0
79.05492	9.3
81.03428	3.0
81.07050	8.3
81.17031	0.8
83.05001	5.2
83.08607	1.1
85.02895	1.4
85.06554	1.0
87.00825	3.1
91.05476	11.0
93.07051	8.1
95.04980	3.9
95.08607	11.1
95.93951	0.9
97.02880	3.2
97.06524	1.4
99.04472	0.8
100.12900	0.9
105.07029	16.6
107.04964	5.4
107.05594	1.0
107.08600	27.2
109.02882	3.6
109.06526	3.0
109.10155	9.2
115.05417	1.6
117.07033	3.5
119.08594	8.8
120.08169	1.1
121.06489	3.3
121.10140	13.4
122.07283	6.2
123.08073	1.6
127.03925	13.8
129.07011	2.7
130.41185	0.8
131.08568	8.2
133.10133	100.0
134.10490	3.4
135.08060	9.0
135.11732	1.9
137.05930	3.6
137.09621	52.5
138.09961	2.8
143.08546	4.6
145.10110	10.4
147.08029	1.4
147.11722	5.4
149.09642	4.7
149.13277	9.1
155.08542	1.1
157.10109	5.7
158.10934	1.6
159.08054	1.2
159.11697	4.4
161.09625	2.1
161.13234	2.5
163.14835	2.8
169.10112	1.8
171.11740	3.8
173.09616	1.2
173.13266	9.6
175.14877	2.5
181.05006	1.2
181.10182	0.9
183.11642	1.9
185.13293	1.9
187.14806	11.6
189.12776	2.6
189.16434	1.4
191.14313	40.8
192.14641	2.1
195.11649	1.2
197.13245	1.4
199.14813	2.1
201.03740	1.6
201.16399	3.5
203.05284	2.1
203.14365	4.8
205.15994	1.4
209.13377	1.0
210.53156	1.0
211.14900	2.0
213.03960	2.6
213.16339	1.3
215.14386	1.8
217.15976	1.8
225.16473	1.4
227.14345	1.3
229.16037	1.2
231.05081	1.6
335.18530	1.8
375.30414	1.4
403.17969	1.2
403.29828	4.2
421.18314	53.8
421.30930	19.2
422.18619	6.1
422.31204	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65849	2.2
50.82710	2.1
53.03934	9.3
54.36663	2.4
55.01872	16.2
55.05512	19.3
57.03437	6.5
57.07071	11.7
61.02909	4.2
62.77991	2.4
65.03928	4.6
66.38365	2.9
67.05499	27.6
68.99780	11.3
69.03433	37.8
69.07065	18.9
69.34231	2.4
69.51777	5.0
69.52191	8.1
71.01336	3.1
71.04980	10.8
73.02931	3.4
79.05488	42.7
81.03417	69.5
81.07056	38.3
82.06461	2.4
83.04980	36.9
83.08613	14.3
83.09033	2.9
85.02901	42.3
85.06541	8.0
87.00822	17.8
87.04422	3.0
91.05477	54.7
93.03415	3.0
93.07042	51.6
94.07388	4.1
95.04964	26.1
95.08605	43.0
97.02886	39.8
97.06512	10.9
98.22731	4.0
99.04443	7.8
103.05480	4.2
105.01836	4.7
105.04501	2.5
105.07030	51.1
107.04961	16.5
107.08593	100.0
108.30621	2.6
109.02882	32.0
109.06522	30.5
109.10146	45.6
109.10832	4.7
111.04456	17.7
111.08075	17.4
115.03904	9.4
115.05439	8.4
116.06232	3.5
117.07024	28.4
119.04922	5.2
119.06127	3.0
119.08577	51.2
120.08046	3.6
121.02880	3.0
121.06509	24.2
121.10139	65.4
121.11012	4.4
122.10465	2.7
123.04451	12.4
123.08086	15.7
123.11684	7.5
125.06011	3.9
127.03904	44.9
128.06212	7.7
129.01822	5.5
129.07010	16.5
130.06540	6.3
130.07738	6.7
131.04910	2.8
131.08574	37.9
133.06483	10.7
133.10132	61.7
135.04416	7.3
135.08046	42.2
135.11658	16.0
137.05984	13.1
137.09604	10.3
139.07536	4.5
139.11194	5.7
141.06967	7.3
142.07794	9.8
143.08540	27.3
144.09290	6.1
145.05278	3.3
145.06464	31.4
145.10132	38.3
146.07275	2.8
146.10425	2.9
147.04295	2.7
147.08051	21.8
147.11671	20.7
149.05977	8.5
149.09618	13.4
149.13263	30.9
151.07539	5.9
151.11156	5.2
153.05472	4.6
153.06969	2.6
153.09044	6.2
154.07776	3.6
155.08510	13.4
156.09346	15.3
157.06471	3.3
157.10156	23.4
158.07188	2.8
158.10837	9.8
159.02867	3.9
159.08075	12.2
159.11676	26.0
160.12091	2.5
161.05951	9.5
161.09642	12.0
161.13228	11.4
163.07542	15.7
163.11186	9.4
163.14809	15.9
165.06995	5.6
165.09195	3.1
167.08530	4.1
168.09250	5.6
169.10040	13.3
170.07271	2.5
170.10863	6.1
171.08057	4.8
171.11679	28.3
172.12219	2.9
173.05969	5.1
173.09618	17.6
173.13281	32.7
175.07498	5.0
175.11160	11.3
177.09090	2.9
179.07019	3.8
179.08452	3.9
179.10768	2.9
180.09286	4.5
181.10120	10.4
182.10905	6.1
183.08023	5.4
183.11670	9.8
185.09621	8.3
185.13280	14.2
187.07491	4.2
187.11192	12.0
187.14790	9.1
189.09097	3.8
189.12756	19.7
191.07072	15.2
191.10628	4.1
191.14313	31.9
193.10123	3.5
193.12257	4.3
195.11647	9.3
196.12366	3.2
197.09619	5.9
197.13266	11.7
198.13808	2.5
199.11174	15.9
201.09212	3.0
201.12769	12.4
203.10596	3.6
203.14270	11.1
205.12219	2.5
206.10933	3.2
207.13660	4.1
209.13228	3.8
209.15211	3.5
211.11200	4.5
211.14839	5.0
213.03934	10.9
213.12692	18.4
215.10655	8.1
215.14349	14.3
217.08600	3.5
217.12202	6.0
217.15932	3.0
223.11157	13.3
225.09146	3.1
225.12766	3.1
227.14238	6.7
229.15915	5.9
231.13763	9.0
233.15260	3.3
239.14217	12.5
241.12247	12.3
245.15303	6.9
253.15849	7.0
257.15323	15.7
259.13214	5.1
263.14343	2.9
271.17160	3.1
275.16440	5.9
277.07190	3.1
281.15411	12.4
299.16425	27.5
317.17566	21.4
318.17337	2.3
321.13095	3.6
335.18552	10.8
361.16586	3.1
363.14178	4.5
377.19400	6.7
385.16107	3.5
403.17651	16.4
411.10284	2.6
421.18591	39.1
422.18954	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	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14032	1.4
51.02379	1.7
53.03949	9.8
53.22828	1.5
55.01873	4.6
55.05513	12.2
57.03450	2.8
57.07084	11.5
59.04998	2.7
62.84444	1.4
65.03932	2.0
67.05507	15.0
68.99796	3.0
69.03430	18.7
69.07073	20.0
69.13906	10.5
70.06591	3.7
71.04993	5.8
71.11234	1.5
73.02935	3.3
73.32145	1.8
79.05481	14.4
81.03419	36.3
81.07056	17.8
83.05002	9.3
83.08631	11.0
85.02902	16.8
85.06547	22.7
85.93215	1.9
86.09726	2.3
87.00838	3.6
87.48869	1.4
91.05482	19.3
92.05799	1.5
93.07047	24.1
93.61938	1.4
94.53918	1.3
95.04983	10.7
95.08607	17.7
97.02894	21.9
97.06533	5.8
97.10188	6.9
99.04459	4.2
99.08105	2.0
101.02393	2.6
103.05487	2.1
105.07029	21.7
105.11455	1.5
107.04961	4.2
107.08595	50.1
109.02882	100.0
109.06519	15.4
109.10136	14.7
111.04471	4.6
111.08096	3.2
112.08622	1.6
113.06033	8.1
115.03922	3.8
115.05455	3.3
117.07007	7.2
119.04947	3.5
119.08582	24.7
120.08115	3.1
121.06516	10.0
121.10143	35.1
123.04417	2.3
123.08118	4.8
123.11720	5.1
125.06004	2.0
125.09653	4.6
127.03923	18.8
127.07562	4.1
128.06250	3.4
129.07019	3.7
131.08578	10.8
133.06485	2.7
133.10126	16.4
135.04396	1.8
135.08060	11.8
135.11684	7.6
137.05936	7.6
137.09615	4.7
139.07570	2.3
139.11195	3.5
141.07033	2.2
142.07735	2.2
143.08553	9.6
144.09311	3.1
145.06470	4.0
145.10106	14.9
147.04440	2.5
147.08051	9.2
147.11702	5.5
149.06001	6.2
149.09645	6.5
149.13258	13.3
151.07571	2.8
151.11194	2.8
153.05534	1.9
153.09106	3.1
155.08589	5.0
155.10693	2.4
156.09380	4.2
157.08830	1.5
157.10072	7.2
158.07275	2.0
158.10876	2.9
159.08075	8.2
159.11703	7.9
161.06013	3.1
161.09607	5.7
161.13286	4.9
163.07555	3.0
163.11211	5.1
163.14813	12.1
167.07080	2.7
167.08479	1.9
167.10718	1.9
169.10141	6.3
171.02953	2.2
171.08083	3.4
171.11748	4.8
172.08867	2.3
173.09605	8.7
173.13243	11.5
174.09096	3.1
175.07632	2.0
175.14883	2.4
177.12782	4.8
181.05003	2.2
181.06482	2.0
183.08092	1.9
183.11760	3.7
185.09677	2.9
185.13326	4.7
187.07521	2.0
187.11208	5.2
189.09100	4.1
189.12805	3.9
191.07031	3.7
191.14305	14.2
193.08556	2.5
193.10168	3.1
195.06625	1.7
195.10144	2.0
195.11987	2.4
195.13770	12.0
197.09622	6.2
197.13336	2.4
199.11275	1.5
201.12769	2.5
203.14331	5.6
205.08560	1.6
206.08986	1.8
207.13841	5.3
209.15442	3.0
211.11197	5.2
211.14833	2.4
211.51076	1.8
213.03905	7.2
213.09195	1.8
213.12744	3.4
215.10732	6.1
215.14209	3.6
221.15291	1.8
223.11234	1.7
225.14790	2.0
229.12250	2.7
231.13759	7.5
233.15315	2.0
243.13857	2.5
245.15396	2.2
247.16707	2.0
249.14888	2.3
253.15849	4.6
257.15469	2.7
261.14880	2.9
271.17007	5.0
275.16397	3.5
281.15411	4.2
299.16461	14.2
299.81659	1.5
317.17426	18.5
318.18036	2.4
335.18564	3.2
365.86920	1.5
377.19635	2.0
403.17599	13.3
421.18710	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90982	0.6
55.05514	0.9
60.61806	0.7
63.08950	0.6
69.03432	0.8
69.25326	5.0
71.15504	0.6
79.05515	0.9
81.07056	2.1
85.21922	0.6
85.46362	0.6
86.09677	1.0
91.05499	1.0
93.07034	1.4
95.01077	1.2
95.04964	1.0
95.08623	1.9
98.22588	1.4
105.07045	1.7
107.08616	1.4
109.10174	0.8
119.08599	2.1
120.08077	0.7
131.08585	1.5
133.10136	1.3
135.11664	0.9
137.05856	3.3
143.08650	1.2
145.10167	1.3
157.10150	1.4
159.11739	1.0
167.07082	1.4
169.04749	1.0
173.13307	0.8
181.05020	0.8
183.11726	1.1
185.04256	1.4
185.13329	1.7
187.14848	1.5
187.73784	0.7
191.31876	0.7
201.03723	4.0
201.12770	0.8
201.90590	0.7
203.14307	0.9
213.16406	1.0
219.06711	1.0
299.11188	1.2
300.11966	1.8
301.12512	0.9
363.14462	0.8
421.18356	100.0
422.18735	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	421.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.3
65.07414	0.3
66.38158	0.3
67.05503	0.6
69.07082	0.3
70.06593	0.3
71.31284	0.3
79.05490	0.7
81.07056	0.5
83.01090	0.7
85.02903	0.5
91.05483	0.8
95.01106	0.9
95.04980	0.5
95.08598	0.5
96.01892	1.4
97.02642	1.3
98.70520	0.2
105.07068	0.7
107.04932	0.3
107.08588	0.5
111.04230	0.3
113.02157	1.4
119.08586	0.4
123.04400	1.1
125.02142	0.7
127.03712	1.3
131.08647	0.5
133.06505	0.3
135.08098	0.3
137.05794	3.1
139.03682	0.3
140.04671	0.4
141.05193	1.2
143.08624	0.3
145.10139	0.7
151.03932	1.7
151.04918	0.2
151.07581	0.2
153.05519	0.8
156.03934	0.3
157.04785	0.9
157.10104	0.3
159.11729	0.3
160.64676	0.2
167.07069	1.5
168.03998	0.3
168.07635	0.3
169.04733	2.8
177.05728	0.3
178.06096	0.3
179.06990	0.3
181.05008	0.3
183.06567	1.5
185.04248	0.7
185.13342	0.4
186.05000	0.7
187.14835	0.6
196.07193	0.4
201.03725	2.2
203.05251	3.2
218.04060	0.4
225.07704	0.4
227.45985	0.2
233.11752	0.5
238.54941	0.2
241.12038	1.0
243.13597	1.4
259.13095	0.7
300.11978	0.4
336.92749	0.2
403.29913	0.3
421.18347	100.0
422.18707	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	421.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01862	2.8
55.05512	20.2
56.43857	1.0
57.03437	1.4
57.07068	4.4
59.04983	2.0
61.02926	1.2
64.02781	1.1
66.70526	1.0
67.05511	5.1
68.99808	1.1
69.03432	6.8
69.07071	26.9
71.04974	2.1
71.08633	55.3
73.02926	1.6
77.77396	0.9
79.05492	3.3
81.03426	4.2
81.07064	7.7
83.08621	30.4
85.02904	14.0
87.00838	8.0
87.57811	0.9
91.05472	4.9
92.73305	1.1
93.07047	8.3
95.04970	2.3
95.08611	17.6
97.02909	8.4
97.06526	1.5
97.10181	7.5
98.23351	2.2
99.08096	100.0
100.08436	3.0
105.01852	4.1
105.07025	10.0
107.08610	8.2
109.02869	5.1
109.06523	2.1
109.10164	6.0
115.03925	10.1
117.07013	3.7
119.08573	9.7
121.06482	3.0
121.10139	4.3
123.08087	2.2
123.11746	1.8
125.02277	1.3
127.03926	6.2
128.06230	1.3
129.07043	2.8
129.12747	9.7
130.07750	1.3
131.08556	7.8
133.04933	1.6
133.10136	4.9
135.08104	1.5
135.11716	2.3
137.09636	1.5
139.14806	1.5
141.06908	1.0
142.07822	1.8
143.08594	5.7
145.10126	11.9
147.08073	2.5
147.11690	4.2
149.09639	1.8
149.13232	1.8
150.40306	1.3
155.08574	2.4
155.14301	2.9
157.10091	5.1
157.15912	2.4
159.02884	1.4
159.07997	1.9
159.11705	7.4
161.04460	2.4
161.09660	2.9
161.13312	2.7
167.08623	1.2
169.10085	2.4
171.11674	3.4
173.13246	3.8
173.15396	25.1
174.15637	1.3
175.14857	3.3
183.11697	2.6
185.13324	3.4
187.11205	1.3
187.14818	18.9
189.16426	1.7
191.14273	1.6
193.10115	1.4
197.13297	2.3
199.14864	4.1
199.96553	1.1
201.03960	5.2
201.16452	5.1
203.14325	9.6
211.14857	2.9
213.16371	3.3
215.14232	1.2
215.18016	1.3
219.05064	3.8
227.17912	1.6
229.03291	1.0
229.15897	4.2
237.16153	1.3
243.17442	1.4
247.04660	4.8
249.16331	1.1
253.19571	1.7
265.19714	1.3
391.30255	1.3
393.31128	1.5
403.30157	7.6
421.30991	32.6
422.31390	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
55.05519	7.4
57.03449	10.0
57.07079	36.1
63.37735	1.3
67.05499	14.3
69.07072	14.1
69.87691	5.5
71.05002	2.3
79.05507	9.5
79.05889	1.6
81.07059	24.0
83.04987	3.0
83.08622	5.6
85.06541	15.4
85.98306	1.3
91.05486	7.7
93.07049	14.1
95.04963	2.7
95.08617	16.8
97.06516	4.0
97.10155	1.4
98.23440	1.4
98.79194	1.5
105.07021	8.2
107.08599	15.2
109.06528	15.6
109.10139	7.4
111.04445	2.0
111.08101	4.3
118.40500	1.6
119.08578	9.5
121.10177	7.2
123.08076	9.4
123.11700	3.9
125.05985	1.9
125.24213	1.4
131.08600	3.3
133.10135	5.7
135.08052	18.1
135.11679	4.7
137.05989	22.5
137.09637	2.3
137.13239	1.6
139.07524	1.7
145.10139	4.6
147.11647	6.6
148.59729	1.3
149.02332	2.3
149.09615	4.9
149.13274	3.0
151.07565	7.9
151.11192	4.8
153.12762	2.3
159.11748	3.2
161.09668	4.1
161.13229	2.7
162.03194	2.6
163.11244	1.6
163.14839	1.7
165.12738	7.0
171.11653	1.9
173.13260	2.6
177.12779	6.4
179.10664	2.2
179.14330	5.1
184.04495	3.4
189.12846	2.4
191.14374	2.2
193.12236	2.7
203.17885	2.3
203.23390	1.6
207.13812	6.5
210.33038	1.7
219.09705	2.0
228.22993	1.5
233.18959	2.6
245.19116	1.8
249.18422	1.8
263.20114	5.3
306.66257	2.0
319.26315	10.8
329.24640	5.8
335.15253	2.0
337.27359	5.9
347.25815	100.0
348.26050	10.0
353.16452	1.6
365.26886	17.0
393.30035	9.6
403.28302	4.1
421.29492	45.9
422.29712	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
53.27259	2.3
55.01873	7.0
55.05514	12.1
57.03441	12.9
57.07083	16.8
57.07335	3.5
58.23277	2.8
59.28158	2.5
64.43990	2.4
65.03929	3.4
67.05507	27.5
69.07069	32.8
69.09995	6.2
69.10403	14.9
71.04987	3.8
71.08627	3.4
79.05492	22.1
81.07062	41.0
83.04971	6.4
83.08619	10.4
85.06551	9.5
91.05473	14.4
92.36185	2.2
93.07052	30.3
95.04971	5.7
95.08613	34.7
97.06545	15.0
97.10191	2.9
99.08092	2.4
105.07043	10.7
107.08595	32.1
109.06526	25.7
109.10136	12.1
110.07782	2.3
111.04428	6.9
111.08102	5.0
119.08582	16.9
121.06571	2.9
121.10165	11.3
123.08080	19.1
123.11716	4.2
124.60184	2.5
125.06006	9.8
131.08583	5.7
133.10136	10.4
135.08046	43.7
135.11697	16.9
137.05978	21.2
137.09621	2.7
139.07581	3.2
145.10091	13.1
147.07977	3.6
147.11694	10.3
149.09669	5.8
149.13269	5.3
151.07552	9.4
153.12700	3.3
159.11653	4.5
161.09645	3.8
161.13240	4.2
163.11168	5.1
163.14818	5.0
165.12759	5.2
171.11710	3.1
177.12671	11.8
179.14352	4.7
181.12215	9.1
185.13263	3.4
187.14909	3.7
217.14313	3.1
221.19008	7.3
235.20587	3.5
249.18616	3.4
251.05368	3.1
263.20145	5.9
301.25208	3.2
305.21198	4.9
305.24744	89.4
306.25073	7.4
319.26266	25.3
320.82758	2.7
329.24747	12.2
347.25760	100.0
348.26016	5.7
365.26825	8.7
378.67633	2.6
393.30014	5.2
403.28470	5.3
421.29785	55.4
421.35001	4.6
422.29852	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87189	0.8
53.03948	1.4
55.01871	1.0
55.05518	7.5
57.07072	1.5
59.60297	0.7
67.05506	15.2
69.03418	2.2
69.07071	9.1
71.04992	1.5
71.31706	0.9
71.32042	0.8
79.05487	12.5
81.03403	1.0
81.07057	21.0
83.04990	4.0
83.08620	3.1
85.02916	0.9
85.06532	1.6
91.05478	18.4
92.05814	1.3
93.07046	21.7
93.39459	0.8
95.04973	5.9
95.08608	47.0
96.08938	1.7
97.02897	1.1
97.06525	3.7
97.10160	3.1
99.08102	0.9
103.05479	1.0
105.07033	35.1
106.07345	1.4
107.04965	2.5
107.08595	25.8
109.06521	4.4
109.10156	13.4
111.04418	1.5
111.08060	1.2
115.05453	1.5
115.08135	0.7
116.06234	1.1
117.07011	6.0
119.04890	0.8
119.08579	37.0
120.08916	1.5
121.06531	5.7
121.10147	16.1
123.08057	4.8
123.11714	3.9
125.09681	1.1
128.06226	3.0
129.07002	7.4
130.07791	1.9
131.08568	35.9
132.08894	1.7
133.06497	2.1
133.10136	17.2
135.08107	4.1
135.11674	7.4
137.06003	1.6
137.09633	4.2
137.13278	1.9
139.07541	0.8
141.07005	2.3
142.07799	5.2
143.08565	19.8
144.09143	1.7
145.06480	2.6
145.10123	50.5
146.10489	3.0
147.08063	7.1
147.11682	10.2
149.09628	5.4
149.13258	5.6
151.11209	1.2
153.09085	0.8
154.07767	1.0
155.08563	6.9
156.09332	3.5
157.10123	23.4
158.10832	2.9
159.08080	3.4
159.11684	19.2
160.12024	1.3
161.09627	5.3
161.13226	8.4
163.11194	2.3
163.14813	8.1
165.06984	0.9
167.08578	2.4
168.09367	0.8
169.10123	8.9
170.10930	3.7
170.46672	0.8
171.07993	1.1
171.11700	14.2
172.12360	1.7
173.09625	3.0
173.13260	26.3
174.13554	0.9
175.11217	2.8
175.14816	12.0
176.15187	1.2
177.12814	2.3
177.16388	5.8
179.08621	1.0
179.14264	1.2
181.10158	3.0
182.10893	2.8
183.11691	8.1
184.12384	1.2
185.13263	15.2
186.13809	1.0
187.11285	4.2
187.14821	66.9
188.15150	3.0
189.12746	6.8
189.16414	6.0
191.14320	4.3
193.10159	1.0
195.11705	4.5
196.12387	1.4
197.13237	6.8
198.13992	1.2
199.11076	1.4
199.14824	39.5
200.15193	2.5
201.12793	3.9
201.16403	15.1
203.14311	22.7
203.17941	2.4
204.14630	1.1
205.15878	6.7
207.11740	2.4
209.13322	3.9
211.14813	6.9
213.12851	1.6
213.16388	13.2
215.14377	5.3
215.17950	3.0
217.15903	7.6
217.19481	1.4
219.17552	1.3
221.13255	1.5
221.15292	1.3
223.14833	2.7
224.15431	1.0
225.12927	0.8
225.16354	5.7
227.14474	1.7
227.18022	4.5
229.15868	8.8
229.19411	1.9
231.17456	2.9
235.14816	1.7
237.16422	2.9
239.17950	4.8
241.15863	0.9
241.19516	2.6
243.17484	2.0
247.16969	3.3
249.16382	1.7
251.17996	3.1
253.15916	1.3
253.19508	2.7
255.17389	2.5
255.21049	1.5
257.19058	1.1
261.16458	1.0
263.17941	1.9
265.19498	3.1
267.20938	1.3
269.19165	1.8
275.17758	1.0
279.21127	3.7
281.19302	1.0
281.22485	1.8
283.20596	1.1
286.78510	0.9
289.19485	1.2
291.20996	1.2
293.22711	1.8
295.20624	1.0
305.22668	1.4
307.24100	1.3
317.22824	0.8
319.24118	1.4
323.23752	0.9
325.21738	1.3
343.24072	1.2
345.25806	1.0
347.23495	1.4
363.26746	1.2
375.25806	1.2
375.30481	17.1
376.30850	2.0
377.28229	1.0
379.26193	1.1
385.28894	3.4
391.30081	1.9
393.31473	1.9
403.29935	20.7
404.30334	2.7
421.18790	2.2
421.30988	100.0
422.31320	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	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.2
57.07064	10.6
67.05509	22.0
69.07064	27.7
69.30713	4.7
69.31102	8.2
70.06596	3.2
71.08626	3.9
79.05492	11.2
81.07060	41.8
83.08615	10.4
84.08131	8.6
85.10166	2.9
91.05475	16.3
93.07053	22.5
95.04957	3.2
95.08610	56.3
97.10162	7.8
98.98493	3.7
105.07031	21.7
107.08599	36.9
109.09452	3.2
109.10161	38.9
111.11731	5.0
113.00018	4.1
117.07008	7.1
119.08589	33.8
121.10136	29.8
123.08044	3.5
123.11723	21.0
129.06972	4.1
131.08560	12.7
133.08662	4.0
133.10126	32.2
135.08022	4.4
135.11707	19.6
137.09622	2.9
137.13242	10.5
143.08549	10.4
144.09290	3.6
145.10115	26.2
147.08043	2.4
147.11685	18.1
149.09659	3.4
149.13258	7.0
151.14848	4.5
155.01041	10.3
155.08539	4.6
155.11781	23.8
157.10132	17.9
159.11714	27.9
161.09550	2.7
161.13272	6.9
163.14828	8.4
169.10153	6.3
171.11699	13.0
172.12444	2.4
173.13266	20.2
175.11220	3.6
175.14760	5.6
177.16376	7.1
180.67461	3.1
181.10181	3.7
183.11711	9.0
184.12389	2.9
185.13254	12.4
187.11206	3.4
187.14812	10.0
189.16353	8.2
191.14311	2.7
191.17955	10.5
195.11723	4.6
197.13330	7.2
199.14804	10.1
201.12662	4.0
201.16406	13.5
203.17955	6.4
205.16011	3.8
209.13219	5.0
211.14842	5.7
213.16399	10.8
215.17926	30.0
217.15829	2.9
217.19492	4.6
218.37558	2.7
225.16374	4.2
229.15872	9.5
229.19502	6.0
231.17520	4.2
233.19012	6.3
237.16452	4.3
239.18069	4.2
241.19437	5.7
242.70126	2.4
243.17406	7.9
243.20961	4.0
251.17809	3.3
255.21167	3.8
257.18964	5.1
257.22641	2.9
265.19412	4.7
269.22632	3.7
283.20578	5.6
293.22815	3.8
311.23660	6.0
325.25153	4.9
335.27319	6.8
337.25232	4.8
341.26694	4.9
378.28708	2.6
403.33563	19.0
421.34607	100.0
422.35083	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.4
55.94257	1.5
57.03430	2.5
57.07067	7.5
59.05017	1.7
67.05505	24.6
69.03441	1.7
69.07075	20.7
69.39760	11.7
71.08625	3.7
75.99434	1.4
79.05493	13.7
81.07059	47.1
83.08627	8.1
85.10200	2.6
85.18958	1.7
89.06036	3.4
91.05484	17.6
93.07050	34.9
95.04990	2.1
95.08607	64.8
97.06536	7.2
97.10161	5.6
98.98472	4.7
105.07033	32.2
107.08598	51.9
109.06443	2.7
109.10156	34.6
110.10458	1.7
111.08085	8.4
113.00024	11.7
117.07028	6.2
117.68073	1.9
119.08582	40.3
120.08890	1.9
121.06538	2.2
121.10147	40.1
122.10458	2.2
123.08071	5.8
123.11709	20.0
125.09650	3.7
128.06203	1.7
129.07014	2.1
131.08569	13.5
133.08615	2.9
133.10130	26.7
135.08096	3.1
135.11697	25.4
137.09642	4.3
137.13269	8.3
138.51900	1.7
142.07845	2.2
143.08571	7.5
144.09355	3.9
145.10135	22.0
147.11691	24.5
149.09605	2.8
149.13264	15.0
151.11172	2.3
151.14801	2.8
155.01053	4.3
155.08574	3.3
156.09319	2.7
157.10118	12.6
158.10860	2.1
159.11708	24.4
161.09608	2.9
161.13284	18.8
163.11200	4.2
163.14836	6.4
169.02605	8.5
169.10165	5.6
171.11684	13.7
173.13266	18.6
175.11185	2.1
175.14821	13.7
177.12743	5.6
177.16437	7.5
182.10989	2.0
183.04233	1.9
183.11691	7.1
185.13245	8.9
187.14830	12.5
188.15195	1.8
189.12834	4.5
189.16400	12.4
191.14226	3.2
191.17966	6.1
195.11740	2.7
196.12590	2.1
197.13237	6.3
199.14815	11.8
201.16397	9.9
203.10315	1.9
203.14392	3.8
203.17957	15.3
205.15858	2.9
209.13150	3.4
211.14813	4.9
213.16347	9.9
215.14241	4.4
215.17932	8.7
217.15927	7.2
217.19466	7.9
223.14806	2.1
225.16318	3.4
227.17943	3.4
229.15924	3.4
229.19513	7.9
231.17511	4.6
231.21101	2.8
239.17929	3.3
241.19594	2.4
243.17397	4.0
243.21114	5.8
245.22618	2.6
251.17851	2.2
253.19420	3.6
255.21042	7.3
257.18988	3.4
257.22885	2.2
267.21414	2.0
269.19125	2.3
269.22635	4.0
271.20624	3.2
271.24084	1.9
279.20709	2.2
281.22607	3.3
283.20578	4.7
285.22287	2.5
295.15598	1.7
295.24097	2.6
297.22131	2.4
300.75824	1.6
311.23911	3.5
311.27338	7.2
325.25153	2.2
335.27170	8.5
337.28751	7.8
341.26727	2.9
347.27838	2.3
379.30093	2.0
393.35385	2.1
403.33377	20.3
421.34662	100.0
422.34973	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	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
57.07074	3.0
67.05502	4.7
69.07074	11.2
69.21790	4.8
71.08631	1.7
79.05483	3.4
81.07062	13.6
83.08627	3.7
89.06034	0.7
91.05489	4.6
93.07047	8.4
95.04991	1.9
95.08614	17.0
96.08896	0.6
97.06530	1.0
97.10181	1.7
98.98467	0.8
99.04442	1.3
99.08037	0.5
105.07032	8.9
107.04967	0.6
107.08604	14.9
108.81704	0.6
109.06518	2.0
109.10163	12.0
111.08073	1.4
111.11732	1.8
117.07011	1.5
119.08579	12.4
121.06499	1.5
121.10148	10.7
123.08077	1.8
123.11707	6.2
125.13338	1.2
130.15948	2.8
131.08607	4.0
133.08609	1.0
133.10139	22.7
134.10524	1.0
135.08086	4.5
135.11700	11.3
137.05933	1.1
137.09633	3.6
137.13264	4.2
138.93521	0.6
142.07855	1.1
143.08568	2.2
144.09348	1.2
145.10136	8.1
147.08032	1.2
147.11699	8.5
149.09619	2.7
149.13245	6.0
151.60733	0.6
155.01033	1.0
155.08598	0.7
156.09302	0.7
157.10098	3.2
158.10912	1.8
159.11731	8.1
161.09633	1.5
161.13271	6.0
163.11174	1.9
163.14857	1.4
169.10112	1.4
170.10960	0.8
171.11714	3.4
172.12471	1.6
173.09660	1.1
173.13243	6.0
175.11224	1.7
175.14850	6.3
177.16370	1.5
183.11745	1.9
185.13248	2.4
187.11218	0.9
187.14822	6.6
189.12738	1.9
189.16386	6.1
191.14328	0.6
191.17929	3.4
195.11870	0.7
197.13316	2.4
199.14886	3.0
201.12756	0.9
201.16412	2.4
203.14346	2.2
203.18034	2.4
209.13243	2.1
211.14848	2.1
213.12830	1.1
213.16481	1.9
215.14397	4.6
215.17984	1.4
217.15907	3.2
217.19438	0.6
223.14830	1.0
225.16452	2.5
227.17950	0.9
229.15848	0.6
229.19554	1.0
231.17462	1.5
237.16324	0.8
239.17992	0.9
241.19527	1.5
243.21030	1.6
245.18900	0.7
248.68234	0.6
251.17885	1.0
255.21078	1.2
257.22708	0.9
259.20679	2.1
261.22321	0.6
265.19547	2.5
269.18921	0.7
269.22922	0.9
271.24249	1.2
273.21893	1.0
281.22552	0.7
283.20593	3.3
285.22092	0.8
297.22385	1.0
299.23550	0.8
313.25165	3.1
324.40320	0.7
341.26755	0.9
349.28973	0.8
365.28418	0.7
378.32895	0.6
379.29996	0.6
379.35712	0.7
381.83350	0.6
393.31287	0.8
403.33694	6.6
404.33963	0.9
410.66608	0.7
421.34656	100.0
422.35022	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.05315	0.2
55.05513	2.3
56.90030	0.2
57.07081	1.6
58.36789	0.2
58.45774	0.2
61.51240	0.2
64.17622	0.2
65.03931	0.4
67.05502	3.7
69.03415	1.0
69.07066	7.1
69.08138	1.2
69.08553	0.8
71.08640	0.3
79.05496	2.5
79.12302	0.2
81.06577	0.5
81.07058	10.1
83.08613	1.8
91.05475	3.4
93.07043	7.4
95.04971	1.4
95.08607	16.5
96.08953	0.5
97.06528	0.6
97.10160	1.7
98.23375	0.5
105.07032	7.4
107.04990	0.3
107.08599	12.4
108.08914	0.3
109.06515	1.6
109.10158	9.6
111.08070	0.8
111.11700	2.1
115.05474	0.4
117.07015	1.3
119.08578	10.2
119.80507	0.2
120.08927	0.3
121.06497	1.7
121.10142	11.3
122.10444	0.4
122.89456	0.2
123.08088	1.7
123.11707	4.3
125.09598	0.4
125.13291	0.5
126.82169	0.2
128.06139	0.4
128.97409	0.2
129.06973	0.8
130.07768	0.5
131.08577	3.0
133.10129	26.8
134.10440	0.7
135.08055	3.0
135.11694	10.1
137.09636	1.6
137.13257	4.0
137.53883	0.3
138.08017	0.3
139.11217	0.3
141.06941	0.3
142.07748	0.5
143.08543	1.9
144.09340	0.2
145.10123	6.9
146.10582	0.3
147.08057	0.9
147.11690	8.0
149.09619	2.0
149.13260	5.9
151.11186	0.3
151.14857	0.5
155.08554	0.9
156.09323	0.5
157.10115	4.0
158.10886	0.9
159.08058	1.0
159.11687	6.5
160.12132	0.2
161.09605	2.4
161.13255	3.9
162.13701	0.3
163.11192	1.5
163.14853	2.0
165.12787	0.4
167.08507	0.3
168.09348	0.3
169.10164	1.7
170.10901	0.8
171.11658	2.5
172.12437	0.9
173.09647	1.8
173.13261	8.4
174.13699	0.3
175.11241	1.7
175.14830	7.7
176.15182	0.5
177.12781	0.5
177.16348	1.6
181.10115	0.6
182.10953	0.5
183.11674	1.9
185.13252	2.8
187.11206	0.8
187.14819	7.4
188.15308	0.6
189.12755	1.0
189.16396	10.7
190.16705	0.5
191.14342	0.6
191.17938	3.6
195.11696	0.9
196.12532	0.3
197.13251	1.8
198.13799	0.4
199.11224	0.5
199.14818	2.5
201.12758	0.9
201.16396	2.5
203.14354	1.3
203.17961	2.9
205.15967	0.4
205.19569	1.2
209.13269	1.0
210.14046	0.3
211.14816	2.4
212.15390	0.3
213.12750	0.4
213.16356	2.0
215.14330	6.1
215.17816	2.0
216.14809	0.3
217.15903	4.4
217.19487	1.0
218.16183	0.3
219.17430	0.9
223.14894	1.1
224.15622	0.2
225.16391	1.6
227.14450	0.4
227.17963	1.0
229.15868	1.7
229.19557	0.9
231.17429	1.3
231.20897	0.3
233.18961	0.5
235.14885	0.3
237.16402	0.7
239.17918	1.3
241.16000	0.5
241.19540	1.1
243.17487	1.1
243.21158	1.0
244.17728	0.2
245.18875	0.3
249.16527	0.3
250.17233	0.3
251.18028	0.8
253.19615	0.6
255.17336	0.4
255.21172	1.0
257.18970	1.3
257.22461	1.4
259.20483	1.7
261.22211	0.4
265.19568	2.0
267.21048	0.5
269.19070	1.0
269.22665	0.9
271.20679	0.3
271.24234	0.6
273.22107	0.6
279.21063	0.6
281.22754	0.4
283.20581	2.6
283.24142	0.7
284.20917	0.3
285.22104	1.0
293.22589	0.8
294.23337	0.3
295.24017	0.6
297.22284	0.5
299.23691	0.5
301.25244	1.1
307.24112	0.4
309.25760	0.3
311.23569	0.5
313.25253	3.2
319.24112	0.5
323.27307	0.3
325.25290	0.6
327.26816	0.9
333.25623	0.3
334.26541	0.3
335.27438	0.5
339.26520	0.3
347.27353	0.3
349.29022	0.4
361.28864	0.6
363.30447	0.5
365.28293	0.7
373.29031	0.3
377.32068	0.5
379.29968	0.7
393.35214	0.9
403.33600	7.3
404.33981	0.8
421.34644	100.0
422.34949	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68891	2.0
50.95658	1.5
54.86096	1.9
55.05512	7.0
57.07069	4.0
59.04998	1.8
67.05503	14.1
69.07070	21.2
71.08614	1.6
79.05486	9.7
79.69295	1.8
81.07063	34.3
83.08612	7.2
89.06042	3.6
91.05466	11.2
93.07052	20.5
95.04930	1.8
95.08614	52.4
97.06549	3.0
97.10160	3.2
98.22570	4.7
103.59040	1.5
105.07045	19.2
107.08596	41.0
109.10157	27.2
110.57142	1.7
111.08115	4.6
111.11739	4.0
112.38585	1.6
117.06992	4.2
119.08583	29.9
121.10145	39.8
123.08056	4.6
123.11725	12.2
129.07019	2.1
130.07886	1.9
130.13628	2.0
131.08571	13.7
133.08623	2.0
133.10127	27.6
133.11061	2.7
135.08061	5.6
135.11685	16.8
137.09601	6.4
137.13234	10.7
142.07774	2.7
143.08585	7.4
144.09317	2.9
145.10165	18.9
147.11652	20.3
149.09590	11.0
149.13269	7.0
155.08519	2.9
157.10184	11.4
158.10863	5.1
159.11696	30.1
161.09651	5.6
161.13263	12.9
163.11192	2.4
163.14835	4.8
169.10139	2.9
170.10909	5.3
171.11720	9.6
173.13269	42.8
174.13940	4.2
175.11201	5.4
175.14832	29.5
177.16408	7.5
183.11688	5.3
184.12485	4.2
185.13239	9.1
187.11176	3.9
187.14830	8.8
189.12726	3.2
189.16415	5.9
191.14319	2.2
191.17949	47.0
193.15906	4.0
196.12462	2.0
197.13266	6.2
199.14871	14.5
200.15503	3.8
201.16403	6.0
202.13519	2.0
203.14360	10.3
203.17987	10.2
205.19518	2.0
207.17484	6.2
209.13293	2.1
211.14748	3.3
213.16444	5.7
215.14134	2.0
215.17999	6.2
217.15889	100.0
217.19502	10.9
218.16252	4.7
219.17378	2.5
225.16414	7.0
227.17950	2.9
229.15982	2.6
229.19489	4.3
231.17371	9.0
239.17975	4.3
241.19563	2.0
243.17509	12.1
245.19084	3.0
251.17844	3.4
257.19025	4.2
263.67590	2.0
267.21082	3.3
271.20673	2.3
283.20526	3.5
293.22815	2.1
311.23685	3.9
327.26962	2.0
403.33636	17.8
404.33994	2.7
421.34662	92.6
422.35104	8.8
442.92001	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.3
57.07080	2.0
59.05000	2.2
67.05505	6.0
69.07082	11.2
73.41344	1.1
79.05487	5.8
81.07052	12.4
82.27823	1.4
83.08652	2.5
85.18889	1.1
89.06042	1.7
91.05487	5.1
93.07056	9.5
95.08619	28.3
95.09224	1.6
97.06532	1.9
98.22608	2.6
105.07043	12.2
107.08596	16.7
109.10164	15.1
111.08121	2.4
111.11742	2.0
117.06969	1.8
119.08587	22.7
121.10154	22.4
123.08089	5.2
123.11736	4.8
129.06989	1.5
131.08595	7.7
133.10152	17.4
135.08054	3.5
135.11696	9.0
137.09637	2.4
137.13260	2.9
142.07796	2.0
143.08563	7.3
144.09344	1.5
145.10136	11.0
147.11687	11.1
149.09602	7.2
149.13239	2.8
156.09384	1.5
157.10071	6.2
158.10938	5.8
159.08080	1.3
159.11707	22.3
161.09612	3.9
161.13260	6.8
163.14798	3.2
169.10123	1.8
170.11017	1.5
171.11674	6.0
173.13269	45.1
174.14081	6.0
175.11217	3.4
175.14839	26.0
177.16444	3.5
183.11754	3.3
184.12434	6.2
185.13289	3.6
187.11197	1.4
187.14742	2.9
189.12651	1.2
189.16377	1.4
191.17996	11.4
193.15904	2.1
195.11726	1.4
197.13254	2.1
199.14781	7.7
201.16344	2.5
202.13527	4.2
203.14511	1.8
203.18010	5.1
207.17508	2.4
209.13263	2.1
213.16408	2.9
215.17992	3.5
217.15897	100.0
217.19466	4.9
218.16182	7.0
227.17941	2.4
231.17491	5.4
243.17473	3.5
255.21133	1.1
257.19089	1.6
265.19614	1.7
279.21155	1.7
307.24301	1.6
311.23709	2.1
325.25296	2.8
403.33713	6.3
421.34723	31.0
422.34970	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	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05309	0.6
55.05521	7.1
57.03441	0.7
57.07072	6.0
65.03960	1.4
67.05502	12.8
69.07068	15.1
69.24201	0.6
69.45469	3.6
71.08626	2.4
79.05501	6.4
81.07057	22.4
83.05025	0.8
83.08128	0.9
83.08624	9.8
84.03773	0.5
85.06559	0.6
86.11369	0.6
91.05486	10.2
93.07048	20.5
94.07365	0.6
95.04962	2.9
95.08604	39.4
96.08942	1.7
97.06498	0.7
97.10173	2.5
98.22659	0.8
105.06368	1.0
105.07034	12.9
107.08598	29.2
109.06524	2.2
109.10160	27.0
110.10483	0.8
111.08068	1.5
111.11726	3.5
113.00008	4.8
113.09672	0.6
115.05437	0.9
117.07031	5.2
119.08585	17.0
120.08910	0.6
121.06523	1.4
121.10139	20.0
123.08082	4.7
123.11711	29.5
124.12006	1.0
125.09673	1.4
128.06229	2.1
129.07021	3.7
130.07806	1.9
131.08566	15.9
133.08583	0.8
133.10133	14.3
135.08055	1.1
135.11684	8.3
136.56696	0.5
137.09630	1.3
137.13260	5.8
141.06964	1.4
142.07774	1.8
143.08562	11.6
144.09290	1.7
144.48648	0.5
145.06485	0.6
145.10123	28.6
146.10497	1.2
147.08029	1.5
147.11673	7.9
149.09662	0.9
149.13239	4.0
151.14807	10.0
155.08594	4.0
156.09343	1.7
157.10110	11.9
158.10907	1.9
159.08084	6.3
159.11687	26.2
160.12041	0.9
161.09653	1.3
161.13280	4.1
163.11203	0.9
163.14836	4.9
165.06935	0.6
165.12880	0.7
165.16429	2.0
169.02597	4.9
169.10150	4.8
170.10915	2.8
171.11697	10.5
172.12292	1.8
173.09613	0.9
173.13269	9.2
174.33946	0.6
175.11209	1.3
175.14836	3.9
177.12892	1.1
177.16388	7.3
179.08563	0.7
181.10152	1.9
181.15854	3.8
182.10962	1.1
183.11693	7.5
184.12457	3.0
185.13254	16.4
186.13805	1.0
187.11447	1.1
187.14828	8.5
189.12724	1.1
189.16400	5.7
191.17929	3.7
193.15903	0.8
195.11705	4.2
195.17378	3.2
196.12390	0.8
197.13281	5.3
198.14014	1.4
199.11377	0.8
199.14828	6.0
200.15169	0.8
201.16386	29.4
202.16797	1.8
203.14317	1.1
203.17943	4.7
205.15887	0.7
205.19563	0.9
207.11674	1.1
207.13977	0.5
207.17392	1.4
209.13266	2.8
209.18951	0.8
211.14810	6.6
212.15637	2.3
213.12894	0.8
213.16371	7.9
215.14392	2.8
215.17969	3.2
217.15891	2.4
219.17439	4.2
221.13335	0.8
221.19034	1.8
222.13940	0.6
223.14845	1.6
225.16356	5.5
226.16939	1.1
226.93047	0.6
227.17941	23.1
228.18382	1.7
229.15904	2.3
229.19626	1.4
231.17468	2.2
233.18999	4.7
235.14769	1.1
236.15559	0.8
237.16360	1.8
239.17937	5.5
240.18791	0.7
241.19530	5.7
243.17516	0.7
245.19069	1.4
249.16321	0.6
251.17908	3.4
253.19559	2.3
255.17450	1.7
255.21161	3.0
257.19153	0.7
261.96457	0.7
265.19516	8.9
266.19904	1.5
267.21097	1.4
269.19089	1.2
269.22647	3.0
271.20480	1.0
271.24301	1.0
279.21021	2.0
281.22653	1.2
283.20529	8.2
284.21005	0.8
285.22192	1.5
293.22644	2.1
295.24258	2.4
297.22299	2.0
307.24142	0.8
309.25717	1.4
311.23874	0.8
313.25217	3.9
319.24048	1.4
321.25833	0.7
325.25125	1.6
327.26776	4.8
333.25745	1.3
337.25229	0.7
339.26526	0.8
347.27200	0.9
351.26773	1.6
363.30307	0.9
365.28238	1.3
379.30038	1.3
393.35190	1.1
403.33563	17.6
404.33725	2.7
421.34650	100.0
422.34991	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	422.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.63933	0.2
56.96567	0.4
57.03426	1.2
57.83391	0.2
61.02924	0.7
63.45788	0.3
69.03438	2.7
70.06595	0.4
71.30453	0.3
73.02917	0.3
74.00681	0.5
74.48373	0.2
81.03415	1.0
82.51199	0.2
84.04522	0.5
84.08134	1.0
84.97491	0.2
85.02422	0.5
85.02909	5.6
86.03297	0.2
86.09720	0.2
88.37731	0.2
89.03938	0.2
97.02898	1.8
98.03277	0.2
98.31202	0.2
98.97588	1.3
100.44474	0.2
109.02892	0.5
110.97588	0.3
110.99003	0.3
115.02155	2.8
116.98640	0.5
117.20588	0.2
120.01179	0.8
125.02369	0.2
127.03989	1.4
127.99250	0.4
129.10242	0.5
136.07582	0.4
139.03891	0.5
143.01630	19.5
144.01953	0.4
145.02861	0.4
145.04984	0.7
171.01115	100.0
172.01433	3.2
177.05518	0.8
197.02628	0.3
219.01703	0.3
243.03510	0.3
260.05896	12.2
261.06244	0.7
266.49365	0.3
302.06833	0.5
326.02805	0.2
338.06778	0.2
386.09225	0.5
423.10956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80483	7.6
55.05492	18.4
57.07060	12.5
60.04537	11.8
67.05499	33.4
67.29812	9.4
69.03428	36.6
69.07083	19.2
71.04998	11.3
73.02901	9.6
79.05481	33.0
81.03413	19.3
81.07059	100.0
83.04977	18.3
85.02895	68.6
85.06532	12.6
87.00836	30.1
91.05480	32.7
93.07034	66.0
95.04975	24.8
95.08620	44.5
97.02888	28.0
97.06523	17.8
99.04458	10.0
105.01884	12.9
105.07024	51.4
107.08588	22.8
109.02895	22.0
109.06499	20.1
109.10143	14.9
119.08583	32.0
120.08104	53.7
121.06541	10.2
121.10138	48.3
123.11689	21.4
123.91049	8.5
127.03923	33.4
131.08568	14.4
133.10139	15.2
135.11676	10.6
136.07587	51.9
137.05983	17.7
138.09111	14.0
139.11189	26.2
145.04961	9.5
145.10120	20.5
147.11671	12.8
152.07083	15.5
157.12276	9.4
159.03027	12.2
159.11668	13.0
163.11194	15.5
164.07079	43.1
165.12849	10.3
175.11198	11.6
187.11121	9.7
189.12833	11.3
225.14813	40.9
261.07336	14.8
287.14029	10.9
367.56067	9.1
369.15625	12.3
422.14896	9.2
423.12521	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30327	6.5
52.67026	7.7
53.02856	6.7
55.01870	11.6
55.05511	11.4
61.02922	11.0
61.98178	6.3
65.03936	8.3
67.05511	28.9
67.25154	5.9
69.03432	25.6
69.07071	50.9
70.06581	9.7
71.04990	20.4
73.02917	10.8
79.05504	31.4
79.93156	7.0
81.03410	12.8
81.07067	58.2
83.04987	12.8
85.02911	26.2
87.00809	8.1
87.76173	7.3
91.05483	30.9
93.07039	89.2
94.07365	6.7
95.04979	58.5
95.08614	22.9
97.02879	7.9
97.06544	24.9
98.22630	18.5
99.04439	10.3
101.02398	15.7
105.01887	10.1
105.07040	100.0
107.04962	12.1
107.08610	38.8
109.02866	9.3
109.06542	29.6
111.08071	10.6
111.11723	8.5
116.07117	7.0
117.07025	17.2
118.06570	9.0
119.08599	20.7
120.08115	13.7
121.06535	26.8
121.10147	53.8
123.04393	6.2
123.08115	10.8
125.05978	15.1
127.03957	10.7
127.07558	10.3
128.06227	7.9
131.08574	31.1
133.06474	12.2
133.10143	16.1
135.11707	16.3
137.05980	20.6
139.07506	15.0
139.11169	43.1
145.10147	66.5
146.10439	8.0
147.02910	9.1
147.11629	14.6
149.09641	20.7
151.07529	66.1
159.11736	14.4
161.04469	29.2
161.05847	9.4
161.13280	9.0
163.11201	43.0
164.07019	13.4
165.09178	11.0
165.12898	8.5
167.07097	10.5
169.10228	8.0
173.09616	18.9
173.13026	8.3
175.11183	7.1
181.12283	9.6
187.11157	14.7
189.12743	13.0
191.10680	57.8
197.13315	8.7
205.12158	11.4
209.11745	33.9
215.10654	13.9
221.08131	13.0
228.06686	8.5
233.11884	21.0
235.13135	7.1
243.08611	12.0
251.12804	16.3
260.09241	54.7
299.14920	20.6
309.13217	12.8
318.18082	11.6
323.14966	16.4
351.14355	60.4
369.15417	87.1
370.15643	9.0
387.16400	14.1
422.18771	28.8
423.08994	12.7
423.20032	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21488	5.1
53.03946	8.8
55.01867	16.6
55.05509	14.2
57.03430	5.4
61.02916	11.0
67.05499	19.0
69.03416	19.6
69.07069	36.8
69.40373	32.9
71.04987	20.7
73.02090	6.0
73.02925	10.1
79.05486	29.2
81.03411	7.6
81.07068	47.4
83.04985	15.0
83.08627	7.4
85.02917	41.1
85.06554	7.0
91.05475	21.1
93.07059	62.2
95.04971	100.0
95.08604	36.5
97.02905	14.3
97.06533	28.2
99.04448	10.1
101.02376	9.4
105.07039	66.8
107.04948	12.2
107.08584	30.7
109.02849	8.1
109.06525	30.6
109.10165	19.2
109.70309	5.6
111.11710	7.9
113.06038	10.4
117.06970	9.4
119.08585	54.7
121.06528	14.6
121.10136	40.3
123.04392	6.7
123.11716	40.4
125.05991	12.4
127.03887	12.8
127.07578	8.3
129.06975	7.9
131.08568	32.1
133.10143	41.8
135.08096	7.4
135.11687	20.0
137.05972	17.9
139.11191	16.3
143.08525	12.3
145.05020	10.8
145.06406	8.8
145.10104	72.2
147.02892	10.7
147.08060	7.5
147.11649	15.8
149.09610	14.5
149.13312	8.3
151.07582	25.1
153.12740	68.2
155.07043	12.0
159.08142	8.2
159.11728	22.8
161.04427	36.1
161.13313	7.6
161.91422	6.6
163.09979	6.2
163.11163	36.9
165.12767	38.6
169.10165	7.2
171.11580	6.0
173.09590	28.7
173.13306	19.0
175.14836	34.9
177.12724	6.3
181.12215	9.0
185.13293	10.6
187.11221	35.1
187.14830	11.5
189.12788	10.0
191.10634	52.0
205.12291	19.1
207.13869	20.7
209.11671	29.7
215.10612	20.4
217.15855	6.4
221.74765	6.1
225.12912	7.1
225.14941	25.5
231.80710	5.9
233.11684	28.5
243.08658	9.2
251.12672	27.3
281.13864	12.0
299.14816	17.1
309.13309	12.7
323.14850	9.8
327.14258	10.9
333.13235	7.6
351.14447	41.1
365.38437	6.3
369.15482	75.1
387.16544	15.7
422.18842	33.4
422.24203	6.0
423.19717	7.9
441.55923	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	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80483	7.6
55.05492	18.4
57.07060	12.5
60.04537	11.8
67.05499	33.4
67.29812	9.4
69.03428	36.6
69.07083	19.2
71.04998	11.3
73.02901	9.6
79.05481	33.0
81.03413	19.3
81.07059	100.0
83.04977	18.3
85.02895	68.6
85.06532	12.6
87.00836	30.1
91.05480	32.7
93.07034	66.0
95.04975	24.8
95.08620	44.5
97.02888	28.0
97.06523	17.8
99.04458	10.0
105.01884	12.9
105.07024	51.4
107.08588	22.8
109.02895	22.0
109.06499	20.1
109.10143	14.9
119.08583	32.0
120.08104	53.7
121.06541	10.2
121.10138	48.3
123.11689	21.4
123.91049	8.5
127.03923	33.4
131.08568	14.4
133.10139	15.2
135.11676	10.6
136.07587	51.9
137.05983	17.7
138.09111	14.0
139.11189	26.2
145.04961	9.5
145.10120	20.5
147.11671	12.8
152.07083	15.5
157.12276	9.4
159.03027	12.2
159.11668	13.0
163.11194	15.5
164.07079	43.1
165.12849	10.3
175.11198	11.6
187.11121	9.7
189.12833	11.3
225.14813	40.9
261.07336	14.8
287.14029	10.9
367.56067	9.1
369.15625	12.3
422.14896	9.2
423.12521	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01874	1.5
55.05511	22.7
55.94499	0.9
57.03429	2.8
57.07086	1.6
58.29529	1.0
60.04530	1.2
61.02920	3.3
63.27719	1.0
67.05485	2.5
69.03431	8.1
69.07078	2.9
70.47781	2.2
70.48130	1.4
71.01352	1.3
71.05006	3.6
74.48132	1.0
79.05515	3.5
81.03437	3.3
81.07068	7.5
82.74046	1.3
83.04980	27.3
84.05254	1.0
85.02902	20.9
87.04464	4.4
91.05478	3.0
93.07059	4.0
95.04987	4.3
95.08627	7.6
97.02898	6.4
97.06548	2.7
98.97602	1.3
99.04454	7.4
105.07030	6.0
107.08587	11.8
109.02886	2.2
109.06534	7.8
109.10159	15.5
111.04436	1.1
111.08082	5.3
119.08587	8.0
121.10134	13.5
123.08069	11.7
123.11714	2.8
125.05989	1.9
125.09604	6.1
127.03957	3.3
127.07590	2.9
127.11177	1.0
133.10135	3.2
135.08044	5.3
135.11707	1.4
135.69203	1.0
137.09641	3.4
137.13223	5.9
139.11177	1.2
143.08632	1.6
145.04974	3.8
145.10153	3.5
147.11705	13.4
149.09607	11.8
151.07553	3.5
152.08330	2.1
153.09154	1.8
156.09375	1.9
157.25862	1.0
159.11716	1.5
161.13284	5.2
163.11209	2.5
165.12776	7.2
167.10703	4.1
171.11694	3.2
179.14262	1.2
180.08690	1.3
189.12703	6.7
207.13808	11.7
208.14391	1.3
225.14848	100.0
226.15163	5.0
387.20203	5.1
388.68970	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05511	11.6
57.03445	4.9
61.02929	5.5
67.05510	3.8
68.48028	3.2
69.03435	12.2
69.07076	4.5
70.06595	9.8
70.86792	7.1
71.05001	8.0
79.05468	4.7
80.32133	3.1
81.07072	5.0
82.90295	3.1
83.04977	14.6
85.02898	27.2
85.06520	3.6
91.05519	5.1
92.76552	3.0
93.07035	8.1
95.04972	100.0
95.05556	6.3
95.08604	7.8
97.06506	3.2
99.04469	11.4
105.07039	10.5
107.08619	18.1
109.02927	3.4
109.06543	6.6
109.10179	18.8
111.08134	4.7
119.08599	11.2
121.10160	17.4
123.08089	21.3
123.11739	4.0
125.09623	5.7
127.03911	6.6
131.08691	3.6
133.10147	4.2
137.09642	7.6
138.09125	7.3
139.07378	4.0
140.15636	2.9
141.09085	5.6
143.08446	3.7
145.10126	13.9
147.11696	12.0
149.09613	15.7
151.07608	4.1
153.09125	22.7
155.10606	4.5
161.13264	6.5
163.11208	18.5
165.12715	3.9
169.12218	17.4
171.11757	5.0
177.38905	3.5
189.12764	12.5
207.13879	15.5
225.14859	95.2
226.15083	4.8
242.07399	3.7
243.15900	16.7
254.92937	3.4
260.09039	3.6
387.19998	5.2
422.21814	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
57.03439	0.5
58.29290	0.6
60.04526	1.1
67.05508	1.0
69.07056	0.9
69.07659	4.8
70.06584	0.8
79.05479	1.4
81.07078	1.3
84.08144	1.0
85.02921	0.6
85.06529	0.8
86.09728	2.9
91.05489	1.5
93.07038	1.7
95.04970	0.6
95.08598	2.0
100.04414	0.7
105.07030	2.1
107.04961	1.0
107.08588	1.6
109.10157	1.4
117.07030	0.9
119.08589	2.7
120.08124	6.6
121.06500	0.7
121.10082	0.8
123.04453	0.6
125.05957	0.8
127.03895	1.2
129.10249	0.6
131.08577	1.6
132.10199	1.0
133.06471	0.7
133.10126	1.3
135.11713	1.1
136.07579	0.9
137.06035	1.0
142.07782	0.8
143.08542	1.3
145.10132	1.6
147.04456	0.7
147.08035	0.6
147.11690	0.8
151.03925	1.6
157.10159	1.2
159.11722	1.2
161.05991	0.7
161.13295	1.1
164.06970	1.0
165.09111	0.9
167.03127	1.3
167.07091	2.8
173.06049	0.6
173.13008	1.3
174.02933	0.6
175.03656	6.3
175.14651	0.6
177.05530	1.1
177.10243	1.2
182.05083	0.6
185.04230	2.0
185.13214	1.1
187.14865	1.8
201.12430	0.8
201.16446	1.5
203.14233	0.8
219.13318	0.8
227.05269	5.8
271.04285	9.1
271.06979	1.1
337.08884	6.8
338.09103	0.7
379.09982	60.1
380.10437	2.9
387.30368	0.6
407.87411	0.6
423.08969	100.0
423.19910	32.9
423.25439	2.2
423.31396	3.0
424.09247	5.5
424.20175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01845	0.4
55.05499	0.4
55.86296	0.3
65.03930	0.5
67.05485	1.3
69.03411	0.4
70.06570	0.3
71.04987	0.7
71.28375	0.2
71.30813	0.3
77.03929	0.6
79.05495	1.4
80.05003	0.4
81.07048	2.3
85.02902	0.5
85.06577	0.3
87.00809	0.3
91.05476	5.0
93.05759	0.6
93.07037	2.7
94.06551	0.7
95.04954	1.7
95.08570	1.1
96.08112	1.2
97.06520	0.7
99.97158	0.3
105.04520	0.4
105.07025	1.4
107.04950	0.5
107.08599	0.6
108.04471	0.5
108.08115	2.4
109.02902	0.4
109.06486	0.4
119.08595	0.7
120.08111	1.1
121.10098	0.6
122.06030	4.1
123.11665	0.5
124.07593	12.4
125.07894	0.4
126.05486	1.3
127.03929	0.6
131.08583	0.5
133.10161	0.4
133.42046	0.2
136.07571	100.0
137.07928	3.2
138.09132	0.7
139.11089	0.4
140.07072	1.2
141.12822	0.4
141.54796	0.3
143.08508	0.4
147.11694	0.5
152.07063	20.3
153.07361	0.6
157.10185	0.4
159.11722	0.5
161.06046	0.4
164.07060	82.6
165.07391	3.3
166.08646	0.6
167.07047	0.7
168.60521	0.3
170.08141	0.9
173.12910	0.4
182.08116	1.9
201.16386	0.3
221.08090	0.8
224.09172	0.4
236.09099	1.5
254.10275	0.5
268.08264	0.6
270.09717	3.7
270.20068	0.3
282.09686	11.1
283.09915	0.7
287.13873	10.4
288.14261	0.6
300.10776	0.5
305.14969	1.2
359.15994	0.6
379.10031	1.7
405.16589	6.6
406.16846	0.6
423.08987	2.8
423.19952	11.8
424.20279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18734	0.5
55.05512	1.3
57.07066	0.5
67.05517	1.6
69.03442	1.1
69.07076	1.5
69.08519	3.9
69.82179	0.4
71.04993	0.4
75.53025	0.4
77.43432	0.5
78.96570	0.4
79.05515	1.5
81.07060	3.0
83.08613	0.6
85.02914	0.6
91.05486	1.6
93.07037	2.9
95.04964	0.8
95.08624	4.3
105.07033	3.9
105.59418	0.4
107.08603	3.4
109.06521	0.6
109.10157	2.8
115.82372	0.5
117.07038	1.0
119.08575	4.2
121.06547	0.7
121.10160	3.0
123.08048	0.8
123.11679	1.1
129.06984	0.8
131.08580	2.8
133.10143	2.8
135.08063	1.0
135.11728	1.5
137.09615	1.1
137.13170	0.5
143.08568	1.5
145.10130	4.3
147.08026	1.0
147.11703	2.1
149.09641	0.8
149.13286	0.6
155.08490	0.7
157.10106	3.0
158.10942	0.6
159.11688	3.1
161.09668	0.9
161.13303	1.1
163.11201	0.6
163.14870	0.5
169.10199	0.6
170.10939	0.8
171.11717	1.4
172.12556	0.5
173.13315	2.2
175.14854	2.0
177.12778	0.6
177.16360	1.2
183.11690	2.6
185.13216	3.9
187.14804	5.0
189.12700	1.1
189.16451	1.0
191.99316	0.5
197.13264	1.0
199.14795	2.5
201.03751	3.0
201.12843	0.7
201.16368	3.5
203.05241	3.3
203.14288	2.6
205.15897	1.7
211.14842	0.5
213.16357	1.0
215.17953	0.8
217.15981	1.4
221.08173	0.5
231.17404	0.7
239.87921	0.7
243.13629	1.4
245.15131	2.3
264.50925	0.5
377.67175	0.5
379.12558	1.1
387.30557	0.6
405.31638	2.7
423.19894	100.0
424.20303	7.9
424.32870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1988
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
55.05519	0.5
56.03421	0.5
67.05518	1.5
69.03458	0.5
69.07067	0.9
79.05501	1.2
81.07070	2.4
82.69633	0.4
83.04987	0.6
89.74152	0.4
91.05475	1.4
93.07034	2.1
95.04982	1.1
95.08615	3.3
95.67935	0.5
105.07052	2.0
107.08600	1.9
109.06535	0.6
109.10176	1.7
119.08553	3.5
121.06467	0.7
121.10169	1.6
131.08571	2.4
133.10185	1.0
135.11703	1.3
143.08577	0.8
145.10115	3.7
147.08119	0.7
147.11702	2.0
149.13348	0.6
157.10097	0.7
159.11687	1.5
161.13307	0.8
163.14763	0.7
171.11624	0.6
173.13280	1.1
175.14877	1.3
185.13271	0.7
187.14862	4.9
189.16396	1.3
191.14372	0.7
201.03729	1.1
201.16461	0.7
203.05348	3.3
203.14317	3.8
205.15897	1.9
213.16449	0.7
215.14343	0.5
229.15904	0.5
231.17418	0.5
245.15053	1.1
272.62637	0.5
405.31561	1.2
423.19852	100.0
424.20200	7.3
424.32645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01884	0.7
67.05499	0.6
71.31173	0.6
77.03927	0.6
78.04721	4.8
79.05507	5.6
81.03427	1.0
81.07058	1.3
85.02909	0.9
91.05486	3.3
93.07048	1.2
94.04227	0.5
95.04967	1.7
95.08611	0.8
97.02879	0.4
97.68234	0.3
99.44881	0.3
103.05481	5.4
105.03403	0.4
105.04536	0.4
105.07038	7.5
106.04199	2.9
106.07377	0.4
107.04967	7.6
109.02902	0.8
115.05432	2.7
117.07040	1.6
118.04159	0.6
119.04942	1.1
119.08569	1.3
121.06523	1.9
122.03616	0.9
123.04440	9.3
123.08043	0.4
123.98837	0.4
124.05256	2.6
125.05982	1.0
127.03958	0.7
127.50993	0.3
128.06215	0.6
129.06993	1.7
131.04933	6.6
131.08580	1.4
132.05702	0.5
133.06497	5.0
133.10173	0.5
134.03633	0.9
135.04404	0.7
135.08075	1.4
137.05962	4.1
141.06989	1.3
142.07774	0.5
143.08566	1.2
144.05696	1.1
145.06497	2.1
145.10104	1.5
147.04445	1.7
147.08095	0.6
147.11685	1.2
149.05994	0.9
151.03960	2.6
151.07559	3.0
152.04675	3.0
153.05476	0.9
155.08473	0.5
157.06543	0.5
157.10141	0.4
158.07297	1.6
159.08029	1.5
159.11665	0.7
160.05186	0.4
161.06001	6.1
161.13339	0.6
163.07547	11.3
164.07904	0.7
167.07053	100.0
168.07423	4.5
169.08014	1.0
171.08202	0.4
172.05188	0.8
173.05989	1.4
173.09615	1.4
173.13136	0.4
175.07513	1.8
175.11258	0.5
177.05396	0.5
177.09128	1.4
178.06274	0.4
179.07077	1.8
181.04880	0.4
181.08618	4.2
185.13220	0.8
187.07520	2.5
189.09076	0.7
191.07053	0.6
192.07764	0.6
193.08621	14.9
194.08939	0.7
199.14783	0.4
201.09114	1.6
203.08609	0.5
205.08578	0.9
207.10178	1.0
217.08600	0.5
219.08170	0.4
219.10130	1.8
231.08104	0.5
233.11723	2.5
234.12173	0.4
237.11191	1.4
248.08521	0.4
263.10760	0.9
275.11218	0.5
280.11029	0.4
291.10181	0.9
323.12927	1.7
337.14517	0.4
355.15411	2.4
387.18179	0.6
422.94620	0.4
423.12625	1.0
423.28845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2012
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
51.02374	0.3
53.03939	0.7
55.01865	0.6
65.03933	0.3
67.05495	0.8
69.03415	0.7
69.07056	0.3
71.31789	0.3
72.20740	0.3
77.03919	0.3
78.04710	4.2
79.05069	0.5
79.05498	4.8
81.07070	1.4
81.27643	0.3
84.08141	0.5
85.02863	0.3
86.09712	0.3
91.05476	3.6
93.03408	0.5
93.07038	1.1
95.04966	1.5
95.08607	1.1
96.05748	0.5
103.05466	5.3
105.03386	0.5
105.04512	0.6
105.07032	6.7
106.04192	2.6
106.07339	0.3
107.04273	0.5
107.04964	8.2
107.05689	0.4
107.08586	0.7
109.02869	0.5
109.06511	1.0
115.05470	2.6
117.07031	1.8
119.04939	0.8
119.08572	1.0
120.08079	0.6
121.06515	1.9
121.10169	0.6
122.03643	1.0
123.04435	9.6
123.08060	0.8
124.05227	3.9
125.05962	0.9
128.06181	0.5
129.07019	0.8
131.04919	6.6
131.08580	1.3
132.05711	0.5
133.06494	5.3
133.10120	0.4
134.03618	0.7
135.04427	0.7
135.08073	1.6
137.05997	3.6
139.07547	0.5
141.06981	1.0
143.04875	0.4
143.06038	0.4
143.08524	0.8
144.05699	1.1
145.06485	2.7
145.10095	0.8
147.04395	1.8
147.08032	0.7
147.11659	0.6
148.04813	0.3
149.05972	0.5
151.03864	2.0
151.07555	3.3
152.04691	2.7
153.05396	1.2
155.06041	0.4
156.05719	0.4
157.06493	0.7
157.10150	0.3
158.07271	0.9
159.08105	1.4
159.11649	0.5
160.05228	0.4
161.05974	6.4
161.13266	0.4
163.07541	13.2
165.05476	0.3
165.09076	0.7
167.07037	100.0
168.04250	0.3
168.07426	4.8
169.06519	0.3
169.08070	0.9
171.02873	0.4
171.11685	0.4
172.05173	0.5
173.05978	1.5
173.09564	0.7
174.06595	0.5
175.07574	1.9
175.11194	0.4
177.05559	0.3
177.09068	1.9
178.06261	0.3
179.07062	2.3
180.07817	0.3
181.08615	4.3
187.07544	2.7
187.14854	0.7
189.16338	0.3
191.07018	0.7
192.07799	0.8
193.08603	16.4
194.08952	1.0
195.10117	0.6
198.32361	0.3
201.09131	1.3
203.08575	0.6
205.08572	1.3
207.10089	0.6
217.08682	0.7
219.10104	2.1
221.11653	0.5
233.11668	3.1
234.12154	0.3
237.11198	1.4
249.09148	0.5
259.07556	0.4
263.10684	0.8
284.34885	0.3
291.10150	1.0
295.13275	0.9
305.11823	0.4
323.12625	1.7
324.13474	0.4
355.15414	2.3
387.18051	0.6
423.12476	0.4
423.19620	1.7
423.32626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2356
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
56.96305	0.8
57.07064	1.4
65.03946	0.7
67.05501	0.9
69.23116	1.2
69.23522	3.5
70.06602	2.9
73.14587	0.7
81.07106	1.2
88.07626	2.2
91.05479	0.9
93.06993	0.9
95.08584	0.8
102.09200	1.7
106.79218	0.7
107.08600	0.9
109.06537	0.8
109.10161	1.1
112.19054	0.7
119.08546	1.8
149.02361	9.3
150.02736	4.2
161.13417	0.8
193.04976	9.7
194.05318	6.6
234.71152	0.9
256.26443	3.8
257.26730	5.3
266.33350	0.7
349.20068	1.5
406.75726	0.7
423.23499	100.0
423.29214	20.7
424.24023	8.7
424.29199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.6
55.01880	6.2
55.05513	29.5
56.10929	2.0
57.03438	7.7
57.07076	8.7
61.02897	2.3
65.03934	4.5
67.05511	59.1
69.03437	22.6
69.07073	42.1
69.07422	3.9
69.89813	2.1
69.90146	9.8
70.70969	1.9
71.04996	9.2
71.08646	3.3
73.02925	2.6
76.58070	2.3
79.05496	47.5
81.03425	18.3
81.07060	87.6
81.07522	4.6
83.04980	7.3
83.08626	16.3
85.02481	2.4
85.02905	12.5
85.06552	6.1
89.06039	10.1
91.05483	45.2
93.07054	81.3
95.04971	13.6
95.08611	100.0
97.02898	11.2
97.06534	9.3
97.10170	9.2
98.22741	2.4
99.04450	6.0
99.08088	6.3
105.07031	63.7
107.04982	6.8
107.08599	82.6
108.08910	2.7
109.02868	5.2
109.06524	9.3
109.10161	67.4
110.10490	2.4
111.04434	5.5
111.08099	9.4
111.11749	3.4
115.05456	4.1
117.07020	14.4
119.08594	80.9
119.09446	4.5
121.06524	10.4
121.10152	68.3
123.04417	2.6
123.08047	11.5
123.11717	40.7
125.06005	7.9
125.09620	3.9
127.03927	3.8
128.06146	2.7
129.05492	2.7
129.07031	10.8
130.07843	3.0
131.08560	28.3
133.06537	2.9
133.08630	4.8
133.10135	67.6
135.08064	12.7
135.11700	45.1
136.12012	2.1
137.09644	9.3
137.13289	10.4
139.07498	11.2
139.11226	3.3
141.06970	3.9
142.07814	3.0
143.08577	16.0
144.09325	3.4
145.05002	2.4
145.06502	4.0
145.10144	43.5
147.08075	9.2
147.11694	54.8
149.09651	7.3
149.13246	40.4
149.14339	4.1
151.11188	4.7
151.14832	2.6
153.09227	2.6
155.08607	5.7
157.10126	17.5
159.08102	6.5
159.11708	36.0
161.09645	9.4
161.13255	28.2
163.11198	9.1
163.14813	13.0
165.09059	3.7
165.12732	3.9
167.14342	3.1
169.10155	6.9
171.08105	3.6
171.11719	15.1
173.09607	5.0
173.13266	27.6
175.11189	21.0
175.14845	22.1
177.12793	6.7
177.16417	7.3
179.14293	4.9
181.10136	2.8
183.11757	9.9
185.09596	3.3
185.13263	15.2
186.14006	3.1
187.11250	4.0
187.14838	23.8
189.12827	7.5
189.16412	26.1
191.10742	2.8
191.14401	4.1
191.16429	4.0
191.17943	18.0
193.12260	5.3
193.15897	4.2
195.11774	4.4
197.13257	6.3
199.09583	2.6
199.14880	12.5
201.12756	7.5
201.16377	15.0
203.14307	7.2
203.17947	26.9
205.15892	12.7
205.19432	3.8
207.17561	5.5
209.13286	3.2
211.14865	7.1
213.16455	8.8
215.14342	13.8
215.17940	10.9
217.15939	6.8
217.19511	23.3
219.13818	5.3
219.17513	7.8
221.15335	3.3
225.16371	4.6
227.18034	5.6
229.15897	3.1
229.19508	6.5
231.13715	3.1
231.17534	3.9
233.15379	63.0
233.18958	4.3
234.15741	4.1
239.14709	4.4
241.19579	8.0
243.17345	3.7
243.21140	6.8
245.19147	3.3
257.19009	3.1
259.20605	10.6
261.18527	3.2
261.22162	10.4
267.21112	3.0
269.19125	3.0
269.22684	3.1
271.16873	2.8
271.20456	3.2
273.18555	2.7
273.22131	4.7
275.19977	2.9
277.21774	4.0
283.20789	2.5
285.22116	4.4
287.20175	7.1
297.22214	3.1
299.20297	3.4
299.23718	4.6
301.21643	7.0
303.23172	15.9
313.21487	2.5
323.23535	3.8
327.23206	4.4
336.63519	2.4
341.24609	5.1
345.24643	3.0
353.24142	2.5
369.24307	12.9
387.25479	15.2
387.30188	3.9
405.26483	17.1
405.31537	9.3
405.35849	4.0
423.27621	11.8
423.31357	44.2
423.36386	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	423.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03955	9.3
55.01867	8.0
55.05518	23.2
56.96568	2.3
57.03450	10.4
57.07074	6.1
59.04988	2.6
65.03947	3.9
65.45146	2.0
67.05511	74.2
68.05828	1.7
69.03439	11.8
69.07075	24.7
71.05003	14.4
71.08635	2.5
71.30803	2.4
73.02918	8.0
79.05499	72.5
81.03425	13.4
81.07066	85.7
82.07403	2.5
83.04970	5.3
83.08614	9.2
85.02907	6.4
85.06543	6.3
91.05492	36.4
93.07053	86.8
94.07387	2.2
95.04969	9.4
95.08617	72.6
95.09234	3.7
96.08934	2.5
97.02902	100.0
97.06560	6.2
97.10161	5.2
98.03248	2.2
99.04462	51.5
99.08090	2.3
105.07041	37.7
105.50506	1.8
107.08601	49.4
107.09286	3.6
108.08943	2.1
109.02879	10.5
109.06520	7.5
109.10162	36.4
110.47487	1.9
111.08118	2.6
111.11697	2.4
113.09596	2.1
117.07035	14.8
119.08588	38.7
121.06520	3.3
121.10156	51.2
122.10525	2.7
123.08089	11.0
123.11721	12.6
125.09610	2.4
127.03918	32.2
127.04787	3.0
128.06226	3.5
129.07034	4.8
131.08589	21.9
133.10147	29.0
135.08073	7.2
135.11696	30.3
137.09622	4.8
137.13283	4.4
142.07738	3.0
143.08563	7.3
145.04967	13.9
145.10133	22.1
147.08025	3.7
147.11699	17.3
149.09618	3.3
149.13255	18.0
151.11209	4.1
151.14786	2.2
153.12758	2.3
155.08585	3.6
157.10136	12.0
159.11723	21.4
161.09656	2.9
161.13234	13.1
163.11215	4.2
163.14827	7.6
165.09155	2.8
165.12802	2.7
166.79948	1.7
167.14304	1.9
169.10133	4.9
171.11688	5.6
172.54916	1.8
173.13274	17.7
175.11261	2.9
175.14835	6.4
179.14359	5.5
181.10143	2.0
183.11644	5.2
185.13263	7.8
187.11220	2.7
187.14830	14.2
188.43486	2.0
189.16411	5.8
197.13234	3.2
199.14769	2.6
201.12743	3.7
201.16457	8.5
203.17957	2.3
209.13341	4.2
211.14790	4.4
213.16403	4.1
215.17867	2.1
217.15849	3.0
221.15392	4.2
227.14270	2.1
227.17888	2.5
229.15910	2.4
229.19429	2.9
239.18056	2.0
241.19435	3.0
243.21051	6.3
243.68307	1.8
247.57437	1.9
255.17383	2.0
259.20602	2.5
261.22165	23.5
289.14767	4.4
307.15839	4.2
331.26315	3.2
405.31625	5.6
423.27649	6.5
423.33047	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	423.2738
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
53.03954	8.9
53.83154	3.7
55.01876	10.3
55.05510	31.2
57.03430	9.7
57.07075	6.4
67.05506	76.9
69.03439	33.7
69.07059	31.1
69.53550	4.1
71.01366	4.9
71.05001	12.1
71.29764	7.3
76.72137	4.1
78.03792	5.8
79.05503	61.1
81.03420	26.3
81.07060	91.2
83.04980	11.8
83.08628	13.8
85.02890	20.6
85.06568	7.4
91.05479	61.7
91.68243	4.2
93.07049	100.0
95.04974	22.3
95.08608	77.7
97.02911	13.7
97.06553	9.1
99.04474	6.0
102.03778	6.8
103.05498	5.5
105.07037	68.6
107.04957	8.1
107.08609	59.4
109.06557	12.1
109.10169	39.2
111.04442	8.8
111.08076	10.6
115.05447	4.4
117.07041	19.2
119.08585	51.4
121.06531	14.3
121.10150	41.8
123.08106	12.9
123.11736	11.2
128.06235	8.6
129.07048	15.0
129.23787	4.1
131.08589	32.6
133.06459	6.4
133.10144	43.6
135.08093	8.7
135.11710	31.7
137.09637	11.8
139.11234	8.0
142.07841	7.0
143.08595	23.7
144.78178	4.4
145.10126	30.7
147.08116	9.6
147.11711	26.3
149.07462	14.0
149.09653	9.2
149.13290	13.1
151.07552	4.7
151.11243	4.8
153.09122	5.1
155.08585	13.9
156.09311	5.1
157.10049	19.7
159.08044	8.2
159.11664	32.6
161.09659	8.4
161.13307	21.4
163.14819	7.1
167.10709	4.9
169.10152	8.9
171.11751	17.3
173.09621	5.4
173.13292	14.3
175.11205	6.3
175.14902	7.0
183.11717	9.2
185.13333	13.4
187.11209	4.9
187.14856	13.3
189.12791	8.0
195.11580	3.9
197.13303	9.1
199.14841	11.6
201.12785	7.8
201.16417	7.6
209.13370	6.8
213.16354	4.9
233.15363	4.6
241.19650	5.0
259.20578	11.4
261.22195	14.2
275.20374	4.4
277.21722	7.3
283.20615	5.1
289.21817	4.8
301.21509	5.3
303.23267	7.7
351.23212	4.4
369.24249	14.2
387.25284	10.2
405.26575	17.8
423.27319	32.8
423.33057	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.2
55.01875	10.1
55.05512	33.3
57.03442	10.1
57.07073	5.4
57.78628	1.4
59.04998	1.4
65.03947	4.6
67.05507	92.3
68.05830	2.1
69.03432	33.7
69.07074	37.0
71.01349	4.1
71.05002	11.6
71.08626	1.8
71.30825	3.0
73.02921	4.0
77.03916	2.2
79.05495	74.8
81.03425	32.6
81.07059	100.0
83.04973	13.1
83.08624	16.0
85.02917	15.3
85.06543	3.6
91.05477	69.7
92.64288	1.4
93.07048	91.4
94.07370	1.8
95.04975	15.8
95.08612	76.4
97.02893	12.0
97.06532	11.3
97.10177	6.7
99.04465	8.9
99.08118	3.5
103.03942	4.5
103.05502	2.0
105.04516	1.5
105.07033	60.5
106.07368	2.1
107.04976	8.7
107.07851	2.8
107.08599	57.7
109.02871	5.7
109.06524	9.4
109.10153	38.6
110.10491	1.7
111.04457	12.5
111.08105	8.1
111.11729	3.2
115.03954	2.2
115.05488	3.6
117.07032	27.2
119.08583	53.7
120.08904	2.1
121.06516	12.7
121.10145	52.7
123.04373	2.8
123.08062	7.5
123.11730	16.1
125.09641	5.1
127.03912	4.3
128.06218	3.7
129.05479	6.4
129.07011	13.0
130.07898	1.8
131.08566	39.8
133.06502	5.1
133.10124	41.7
135.08043	9.1
135.11687	36.7
136.12099	1.6
137.05948	3.0
137.09618	4.6
137.13268	3.7
139.07498	1.7
139.11165	4.9
141.06967	3.8
142.07780	4.4
143.08537	18.4
144.09258	1.8
145.05032	2.3
145.06461	4.6
145.10121	30.8
147.08073	6.7
147.11691	28.5
149.05898	1.6
149.09642	6.6
149.13269	21.0
151.07513	1.7
151.11172	3.4
153.07094	1.8
155.08528	7.0
157.06502	2.5
157.10112	17.2
158.95721	1.3
159.08093	5.9
159.11708	22.1
161.09627	4.9
161.13258	22.0
163.11195	5.7
163.14795	7.3
165.09111	3.2
166.07910	1.7
167.08534	4.2
169.10133	9.9
171.08054	3.9
171.11688	12.7
173.09645	3.5
173.13255	21.2
175.07626	1.9
175.11174	4.5
175.14813	9.2
177.12724	3.7
179.14368	2.9
181.10085	3.0
182.10754	1.8
183.11681	8.8
185.09685	2.4
185.13264	12.3
187.11223	4.1
187.14813	11.2
189.12726	7.8
189.16443	3.0
191.10597	1.7
191.14355	3.5
193.10173	2.4
193.12254	2.3
195.11729	3.4
195.13750	2.6
197.09622	2.0
197.13217	5.1
199.11230	3.2
199.14864	8.4
201.12782	5.2
201.16389	5.7
203.14359	3.7
205.12299	2.2
205.15866	2.8
205.67511	1.5
207.11726	1.5
207.13927	2.1
209.13344	4.5
211.11250	2.4
211.14836	6.4
213.12794	4.4
213.16435	4.3
215.14360	4.9
215.17972	2.3
217.15886	1.8
219.17198	1.7
221.15373	2.2
223.14886	3.4
223.16998	1.7
225.16447	1.9
227.14316	2.4
229.15974	1.7
231.13866	1.9
233.15532	2.6
235.13016	1.8
237.16418	2.0
239.14523	2.3
241.15849	3.0
241.19478	7.2
243.13841	1.5
243.21161	6.7
245.15367	2.9
249.14897	4.9
249.18515	1.6
253.19498	2.0
253.81526	1.7
259.20560	18.7
261.22150	29.9
265.15555	1.6
271.20483	3.3
273.22217	6.3
275.23779	2.6
277.14310	2.9
277.21753	8.4
279.23010	2.5
285.18750	1.9
285.22119	3.7
289.21591	6.0
291.23334	5.3
301.21616	4.5
303.23102	19.1
304.23776	1.8
309.22058	2.0
313.21588	2.1
315.23227	6.6
319.22852	2.6
327.23212	4.3
331.22629	3.6
341.24628	5.7
344.71295	2.2
345.24274	3.5
351.23209	5.8
363.26376	1.6
369.24225	18.8
370.24454	2.2
387.25330	16.6
388.25427	1.6
401.08060	1.5
405.26483	23.3
405.31375	2.7
423.27383	18.3
423.33215	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	423.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03949	14.8
55.01876	24.2
55.05516	23.7
57.03448	11.0
57.07083	7.3
59.05016	1.7
61.02950	1.9
62.44615	1.6
65.03961	5.7
67.05508	87.5
67.51949	1.5
69.03433	46.1
69.07075	27.6
69.36320	3.7
69.36718	9.0
69.89182	1.7
71.05000	14.4
71.08635	3.3
73.02925	9.9
79.05499	65.2
81.03423	49.1
81.07061	100.0
82.07392	2.5
83.04996	6.3
83.08631	12.7
85.02905	11.7
85.06550	2.7
91.05482	40.9
93.07050	72.9
93.74303	2.0
95.04982	9.9
95.08613	74.1
96.08979	2.2
97.02898	57.4
97.06541	5.1
97.10181	4.8
99.04460	71.4
101.02383	4.5
105.04580	2.6
105.07029	35.5
107.08597	40.2
107.09278	2.8
109.02877	32.0
109.06530	18.8
109.10159	34.2
111.04469	5.8
111.08119	4.1
111.11786	1.7
115.04007	1.7
115.05463	2.2
116.06196	1.9
117.07031	10.7
119.08577	33.3
119.09335	2.7
121.06513	2.7
121.10149	38.6
123.07177	2.8
123.08076	56.8
123.11723	17.1
127.03922	67.7
129.07057	1.7
131.08571	17.3
133.10136	27.3
133.11063	2.4
135.08102	13.7
135.11696	26.7
135.12666	1.9
137.09596	8.2
137.13310	5.6
139.07623	2.1
141.06949	2.2
143.08604	4.5
145.04987	8.0
145.06303	1.4
145.10129	18.2
146.10397	2.0
147.08099	2.5
147.11691	18.2
149.09656	6.2
149.13249	12.3
151.11243	2.7
153.08823	1.8
155.08578	2.2
157.10161	8.1
159.08138	3.1
159.11731	19.1
161.09644	2.3
161.13272	10.8
163.11249	2.5
163.14879	6.5
165.09195	2.0
165.12843	2.4
165.58626	2.2
169.10182	4.2
171.11758	7.4
173.09630	2.4
173.13266	10.5
175.14862	7.2
177.12756	3.8
177.16476	2.3
179.14316	39.3
181.10170	2.4
182.11008	1.9
183.11717	4.9
185.09656	1.8
185.13333	6.6
187.11067	1.8
187.14897	6.7
189.12808	2.0
189.16481	3.4
191.14336	3.2
193.15883	2.5
197.13246	2.7
199.14839	4.0
201.16483	5.4
203.14421	2.1
205.16002	2.4
211.14786	3.3
213.16461	1.9
215.18063	3.1
227.18135	2.9
241.19566	2.4
243.21207	5.2
247.20697	2.2
253.19591	3.3
257.19266	2.3
258.35562	1.7
259.20779	4.6
261.22144	15.6
263.20251	2.3
267.21109	1.8
269.19046	4.4
275.20230	4.2
277.21750	4.5
279.23196	1.9
280.81427	1.7
293.21396	4.6
303.27029	4.7
331.26321	35.5
349.27493	8.4
365.28470	1.8
405.31641	5.0
418.83667	1.8
423.31396	95.0
424.32068	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	423.2744
Annotation	Lovastatin acid
Peak:m/z	Relative Intensity
55.01855	8.2
55.05501	31.7
57.07068	13.0
65.03923	11.0
67.05522	49.3
69.07058	34.9
69.61367	23.7
69.61777	28.3
70.06598	20.2
71.05017	17.3
79.05474	33.3
81.07062	70.4
83.08622	19.6
84.08141	9.4
85.06542	12.9
88.07630	14.1
91.05480	31.1
93.07047	69.2
95.05003	12.5
95.08607	91.0
96.22992	8.9
97.06533	9.9
99.08103	31.6
102.09138	12.4
105.07030	70.4
107.08590	75.5
109.06516	17.5
109.10161	84.0
111.08126	13.7
117.06992	12.4
119.08565	90.5
121.06485	15.3
121.10153	78.2
123.08057	10.1
123.11686	38.0
125.06029	10.6
127.07518	21.4
129.07045	14.8
131.08591	37.4
133.10167	60.4
133.41597	9.1
135.08002	10.8
135.11699	41.3
143.08572	25.3
145.10106	43.7
146.10431	9.6
147.11681	35.4
149.02354	32.6
149.13249	14.8
150.02696	27.5
155.08536	15.9
156.09361	14.5
157.10129	20.1
159.11691	68.5
161.13255	26.3
168.26602	9.9
169.10173	23.6
171.11588	22.7
173.09715	9.7
173.13295	38.4
175.14809	17.4
183.11667	23.9
185.13280	19.1
187.14864	29.8
189.12859	15.3
189.16454	14.4
193.04987	54.4
194.05386	29.2
197.13190	18.6
199.14787	17.6
201.16367	100.0
202.17232	12.7
203.17949	25.8
217.15820	13.5
219.17487	20.1
241.19492	9.4
243.17500	11.2
257.19000	11.1
257.26709	21.1
281.22604	14.2
299.23718	35.1
317.24503	10.3
327.23096	34.3
345.20587	9.3
345.24161	43.9
405.26474	18.2
423.24152	15.5
423.28848	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01867	6.5
55.05516	29.8
57.03424	5.2
57.07051	10.5
65.03924	4.9
65.78704	2.4
67.05189	4.7
67.05509	65.1
68.51207	2.9
69.03429	17.2
69.07068	44.2
71.04987	6.4
71.08626	4.4
71.31062	2.6
71.31470	3.7
79.05495	45.0
81.03419	14.7
81.07061	82.5
83.04954	7.7
83.08627	18.0
85.02875	8.6
85.06509	8.4
89.06017	2.4
91.05486	44.5
93.06485	4.7
93.07050	69.1
95.04989	15.1
95.08611	100.0
96.08892	2.7
97.02854	7.9
97.06505	8.9
97.10145	8.5
97.68748	2.6
99.04414	3.0
99.07996	4.1
103.03878	2.7
103.05421	3.2
105.07031	58.7
107.04964	3.4
107.08598	68.5
108.08904	2.8
109.06515	7.5
109.09446	4.0
109.10155	48.8
110.66940	2.6
111.04447	5.0
111.08072	6.2
111.11734	3.2
117.07025	14.6
119.07771	4.8
119.08581	67.1
121.06489	6.4
121.10149	62.1
122.10468	3.2
123.04453	2.9
123.08096	5.1
123.11692	33.2
125.09529	3.4
127.03900	6.4
128.06163	2.7
129.05461	3.4
129.07025	14.5
131.08574	29.6
133.06490	5.0
133.08575	4.3
133.10129	59.4
134.10483	3.9
135.08012	6.9
135.11693	43.5
137.06021	2.6
137.09602	5.2
137.13248	15.0
141.06979	3.8
142.07721	4.4
143.08542	14.9
144.09334	3.5
145.06372	2.9
145.10139	42.7
147.08032	5.2
147.10623	3.3
147.11688	37.5
149.09570	10.1
149.13239	20.4
151.07526	3.6
151.11118	6.6
151.14748	3.0
155.08479	7.7
156.09361	4.9
157.10129	19.7
159.07962	3.9
159.11708	39.7
161.09576	6.7
161.13234	26.1
163.11134	6.8
163.14810	13.4
165.12689	3.5
169.10083	10.7
170.10773	3.7
171.11720	20.9
173.09517	4.4
173.13303	29.3
175.11145	7.8
175.14839	15.9
177.12781	3.2
177.16382	4.5
181.10065	5.3
183.11620	10.7
185.13222	15.9
187.11043	5.1
187.14854	23.3
189.12698	4.4
189.16304	14.8
191.14232	3.0
191.17856	9.3
195.11629	4.0
197.13182	11.6
199.11189	3.4
199.14772	11.9
201.12712	5.6
201.16434	15.0
203.14296	6.3
203.17899	9.1
205.19424	3.6
209.13199	7.1
209.15262	3.1
211.14742	8.5
212.15376	2.9
213.12741	3.0
213.16360	7.7
215.17888	10.2
217.15855	3.9
217.19466	6.5
219.17361	4.7
221.15231	4.8
223.14668	3.7
225.16301	8.3
227.17844	8.5
229.19353	3.7
233.15373	6.6
239.14713	6.7
239.17822	5.9
241.15756	4.2
241.19482	6.6
243.21004	5.5
253.19522	8.1
255.20958	4.2
259.20502	11.6
261.22110	9.9
265.19403	3.8
267.21054	4.9
269.18973	3.4
269.22528	5.4
273.21851	4.3
279.23187	3.1
287.19974	6.5
289.21448	3.4
293.22327	3.5
301.21603	3.3
303.23059	12.3
315.22891	2.7
327.22958	3.2
353.25095	3.0
363.30490	3.4
369.24030	5.6
387.24933	9.4
387.29880	2.8
405.26202	15.3
405.31564	19.4
423.27747	12.6
423.32281	96.1
424.32614	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	423.311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.6
52.52607	1.5
53.03952	8.9
55.01878	14.9
55.05522	21.4
57.03435	8.7
57.07083	7.5
65.03934	1.7
67.05511	62.1
68.04176	1.6
68.05862	2.3
69.03437	32.1
69.07070	24.4
69.19254	6.7
69.19672	5.5
71.05005	13.5
71.08643	2.2
73.02934	7.5
79.05502	49.7
80.05820	2.6
81.03423	29.6
81.07065	83.9
83.04998	7.0
83.08607	9.3
85.02913	6.9
85.06518	2.9
91.05485	33.8
93.07058	52.0
94.07404	2.4
95.04990	6.3
95.08613	62.5
96.08949	2.3
97.02901	40.3
97.06540	5.2
97.10175	4.0
99.04460	50.8
99.05101	2.7
99.08125	2.9
100.04804	1.9
101.02400	3.2
105.07038	28.7
107.08607	37.2
107.09291	3.3
109.02887	20.7
109.06533	18.2
109.10173	25.0
111.04436	3.2
111.08084	4.0
117.07074	9.1
119.08588	26.4
121.06511	1.9
121.10162	30.1
123.08083	60.2
123.11703	13.8
124.08343	2.1
127.03927	47.7
128.06267	1.9
129.07056	2.6
131.08577	13.1
133.10133	20.0
135.07225	1.6
135.08080	9.8
135.11696	16.0
137.09656	3.6
137.13272	4.5
139.11145	1.6
143.08595	5.2
144.09373	1.7
145.04984	7.3
145.10130	12.5
147.08109	3.3
147.11696	10.5
149.09615	4.3
149.13271	13.5
151.11238	2.9
155.08531	2.4
157.10187	10.3
159.11699	13.3
161.09683	2.0
161.13260	8.9
163.11209	3.8
163.14822	4.9
165.12816	2.5
167.14340	2.6
169.10165	1.9
171.11714	6.2
173.09605	2.1
173.13264	10.3
175.11194	1.8
175.14856	4.0
177.12831	5.0
177.16478	2.2
179.14317	45.5
180.14670	2.5
183.11679	3.5
185.13370	3.6
187.11218	2.1
187.14803	6.8
189.16414	2.5
192.48567	1.6
193.15996	2.3
197.13309	2.4
199.11246	2.2
199.14818	3.1
201.16447	2.8
203.18068	1.6
205.15869	3.5
209.13232	3.3
211.14845	2.3
221.15494	2.1
225.16438	2.2
238.71056	1.6
241.19618	2.2
243.21043	3.2
253.19615	2.9
259.20508	2.6
261.22183	8.8
263.20074	2.0
269.19156	2.4
275.20175	3.7
279.23282	2.5
293.21149	4.3
303.26987	5.0
331.26355	45.9
332.26630	2.9
349.27286	12.0
365.28531	1.8
367.24756	2.9
387.25632	1.7
405.31284	1.8
423.31296	100.0
424.31625	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
54.91418	0.6
55.01857	0.9
55.05511	6.4
57.03423	2.4
57.07079	6.8
60.48803	0.6
65.37302	0.6
65.75717	0.6
67.05187	0.6
67.05509	9.0
69.03442	0.7
69.07075	8.3
69.48975	2.8
71.04975	0.7
71.08632	4.7
79.05483	7.3
81.07057	14.9
82.07390	0.7
83.04972	0.7
83.08630	3.4
85.06564	3.3
89.06010	1.4
91.05471	4.9
93.07045	9.5
95.04981	1.3
95.08043	1.1
95.08608	12.1
97.06517	1.5
97.10172	1.6
99.08067	2.0
105.07037	6.9
107.08595	8.8
108.71494	0.6
109.06524	17.8
109.10168	6.4
109.78159	0.6
111.08065	1.3
117.07008	1.8
119.07922	0.6
119.08595	8.0
121.06483	1.5
121.10155	7.5
122.07294	2.0
123.08075	31.2
123.11755	3.0
129.07004	0.9
131.08549	2.5
133.10103	5.0
135.08046	8.6
135.11665	3.0
137.09671	2.3
137.13243	1.1
138.42964	0.7
143.08536	0.8
145.10190	3.7
147.11711	4.6
149.09601	1.7
149.13266	1.9
156.79111	0.7
157.10138	1.1
159.11688	3.0
161.09637	1.0
161.13239	2.5
163.11197	0.9
163.14905	0.8
165.12785	1.6
167.14320	2.0
171.11696	1.0
173.13274	1.7
175.14851	1.3
176.24203	0.7
177.12675	1.5
177.16393	0.7
179.14311	87.7
180.14610	4.5
187.14862	1.2
189.16408	0.8
191.14334	1.3
191.17918	1.0
193.15842	3.3
199.14836	0.8
201.16385	0.8
203.14377	0.7
205.15913	3.7
215.17934	0.7
217.15900	1.3
219.17386	0.7
233.19069	1.3
263.20026	0.8
275.20047	1.7
289.25259	1.2
293.21051	0.7
297.90576	0.6
303.26843	1.7
308.84088	0.7
313.25412	0.8
331.26297	35.9
332.26709	3.7
349.27377	8.7
365.10660	2.0
367.25009	0.9
405.30441	1.1
407.69183	0.7
423.31055	100.0
424.31531	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	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.05513	7.4
57.03425	0.6
57.07073	3.1
65.03947	1.3
67.05509	13.0
69.03443	1.7
69.07071	16.4
71.05008	1.3
71.08649	1.1
71.31299	0.6
71.31677	0.5
77.03921	0.8
79.05496	15.2
81.03410	1.4
81.07061	27.8
82.07391	0.7
83.04994	1.1
83.08617	5.1
85.06557	3.2
89.06045	1.4
91.05482	15.5
93.07050	30.6
94.07391	0.7
95.04985	3.6
95.08607	32.0
96.08965	1.1
97.06523	4.5
97.10169	1.9
99.08093	3.1
103.05449	1.1
105.04531	1.2
105.07034	21.2
106.07348	0.9
107.04952	2.9
107.08598	39.0
107.30752	0.5
108.08904	1.2
109.06541	3.7
109.10159	30.5
110.10513	1.1
111.04430	0.8
111.08074	7.0
111.11722	1.2
115.05466	0.8
117.06989	3.0
119.05010	0.5
119.06072	0.6
119.08584	24.2
121.06509	61.1
121.10144	26.1
122.06851	2.2
122.10474	1.0
122.22153	0.5
123.08075	13.2
123.10815	0.9
123.11709	17.6
124.12093	0.8
125.05990	15.5
125.09647	1.1
128.06209	0.7
129.07001	1.7
131.08574	8.4
132.08913	0.8
133.06509	1.0
133.08577	1.4
133.10135	32.1
134.10504	0.7
135.08060	4.2
135.11693	12.2
135.12683	1.0
136.11993	0.7
137.05980	0.6
137.09668	1.6
137.13263	3.7
139.07542	17.9
139.11179	1.1
140.07950	0.5
141.07010	0.9
142.07816	1.3
143.08569	4.1
144.09348	1.5
145.06500	0.6
145.10129	14.3
146.10649	0.6
147.08037	2.7
147.11697	14.4
148.12088	0.8
149.09628	3.4
149.13263	29.0
150.13620	1.2
150.67203	0.5
151.07524	1.1
151.11176	1.0
151.14787	0.7
153.09116	0.8
155.08572	1.7
156.09364	1.7
157.10129	6.9
158.10883	1.4
159.08046	2.3
159.11700	10.9
160.08852	0.5
160.12177	0.9
161.09647	5.2
161.13251	13.0
162.13615	0.9
163.07547	2.0
163.11192	1.8
163.14818	4.3
165.09117	1.6
167.08525	0.8
167.14326	1.8
168.09366	0.7
169.08839	0.5
169.10161	2.1
170.10889	1.6
170.50249	0.5
171.08084	0.6
171.11700	6.1
172.12444	1.5
173.09644	2.9
173.11868	1.0
173.13264	9.9
174.13840	0.7
175.11209	7.3
175.14827	5.3
177.09126	1.7
177.12752	1.2
177.16385	3.3
179.10704	1.0
179.14317	1.4
181.10162	1.2
182.10954	1.2
183.11662	2.7
184.12524	0.7
185.09599	1.1
185.13237	5.8
186.13644	0.7
187.11240	1.5
187.14819	12.5
188.15204	0.8
189.12733	13.1
189.16373	9.3
190.16595	0.7
191.10588	1.1
191.14323	2.4
191.17953	6.1
193.12315	0.7
195.11678	1.3
196.12492	0.6
197.13266	4.1
199.11139	1.1
199.14857	4.4
201.12773	1.9
201.16417	3.6
203.14322	2.5
203.18018	2.6
205.15891	3.0
209.13243	1.8
209.15164	0.6
210.14066	0.6
211.14850	1.6
213.12753	1.8
213.16367	4.1
214.17122	0.6
215.14331	16.5
215.17950	2.0
216.14639	0.8
217.12318	0.8
217.15884	7.6
217.19431	0.6
218.16129	0.7
219.13809	3.3
219.17345	0.9
221.15332	1.0
223.14838	0.8
225.16325	2.1
227.14314	1.2
227.17949	3.0
229.15894	1.5
229.19501	1.9
231.13779	0.7
231.17455	1.0
231.20938	0.7
233.15366	100.0
234.15697	6.6
235.14786	0.7
235.16830	0.8
237.16293	0.9
239.14638	1.1
239.17827	0.7
241.15839	0.9
241.19511	2.9
243.17464	1.0
243.21155	1.0
245.15382	0.7
245.19012	2.2
247.16971	1.5
251.17946	1.1
253.19580	0.8
255.17371	1.1
255.21004	1.4
257.18945	1.0
259.16998	0.6
259.20569	1.2
261.18442	1.8
265.19614	1.2
267.21155	1.6
269.19101	1.5
269.22446	0.7
275.20139	3.0
281.22458	0.7
283.20520	1.7
283.23987	0.8
285.18381	0.6
285.21918	0.7
287.20062	5.1
289.21585	0.5
293.22513	0.7
297.22287	0.7
299.20035	1.6
301.21536	3.9
313.21484	1.4
313.24844	0.6
315.23184	0.7
327.22891	0.9
329.24603	1.2
331.26297	2.2
339.23190	0.8
377.31979	0.9
381.27667	1.0
405.31137	5.1
405.36145	0.8
416.03934	0.5
417.35413	0.5
423.32297	30.7
424.32693	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87738	0.6
51.17604	0.6
53.03776	0.7
53.04005	2.0
55.05578	4.4
57.07135	1.7
65.03999	0.8
67.05576	7.6
68.47919	0.6
69.03465	0.8
69.07137	8.2
69.17381	3.7
69.17809	1.9
71.05048	0.8
71.08679	0.5
79.05499	8.8
81.07062	15.2
83.08620	4.2
85.06562	0.7
91.05482	8.8
93.07051	16.8
95.05031	2.0
95.08614	25.4
96.09028	0.8
97.06610	2.8
97.10220	1.4
99.08165	2.6
105.04612	0.6
105.07041	12.9
107.05032	2.6
107.08598	17.9
108.09013	0.9
109.06609	2.1
109.10162	18.1
111.08089	5.9
111.11797	2.2
117.07059	1.2
119.05042	0.8
119.08582	19.4
121.06513	55.2
121.10150	15.9
122.06913	1.0
122.10497	0.9
123.08074	11.3
123.11724	5.6
125.06003	15.7
125.09674	0.8
128.06303	0.7
129.07059	1.0
131.08560	5.7
133.10141	19.0
134.58769	0.6
135.08063	3.1
135.11699	10.4
135.12654	0.6
136.12073	0.7
137.06020	0.6
137.09677	0.9
137.13329	2.4
139.07549	16.8
140.07901	0.6
143.08618	2.9
144.09398	1.1
145.10126	11.7
145.11215	0.7
147.08159	1.5
147.11699	10.3
149.09631	5.7
149.13280	7.2
151.07594	0.9
151.11246	1.1
151.14899	0.8
156.09386	1.2
157.10101	3.0
158.10902	0.7
159.08118	1.9
159.11684	7.5
161.09741	2.0
161.13274	13.9
163.07654	1.8
163.11250	1.2
163.14883	2.6
167.10710	4.4
167.14371	1.0
169.10114	1.2
171.11728	3.6
172.12457	0.9
173.09653	2.2
173.13280	7.4
173.18098	0.6
174.13686	0.9
175.11192	6.1
175.14818	3.3
177.09227	1.0
177.12828	2.8
177.16342	4.2
179.69547	0.6
182.10942	0.8
183.11740	1.1
185.13316	2.1
187.11224	1.1
187.14828	13.5
188.15131	0.9
189.12743	9.4
189.14505	0.7
189.14812	1.0
189.16362	8.7
191.14388	3.3
191.17928	9.8
193.12241	1.8
197.13269	3.2
198.13980	0.8
199.14886	2.1
201.12708	1.3
201.16429	3.4
203.14349	2.3
203.18033	3.8
204.18668	0.7
205.12341	0.8
205.15913	2.0
205.19438	1.5
213.16409	2.1
215.14326	17.7
215.17961	1.9
216.14655	1.2
217.15945	1.6
217.19559	2.2
219.13847	6.0
221.15466	1.5
225.16342	1.1
227.17923	1.3
229.19473	1.8
231.17397	1.0
231.21080	0.8
233.15372	100.0
234.15714	6.3
239.17799	0.9
241.19556	0.9
243.21114	0.8
245.15277	1.0
247.16855	1.1
253.19365	0.9
255.21153	1.0
257.22543	1.3
259.16852	0.9
285.18524	1.5
287.20016	1.3
289.21600	0.8
299.20123	1.1
301.21606	1.1
313.21530	1.2
327.23184	1.5
341.24878	0.7
367.26062	0.9
377.31958	0.7
395.32831	1.5
405.30920	3.0
423.32144	26.1
424.32471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03951	2.0
55.05510	12.6
57.07075	5.0
67.05505	22.0
69.07070	29.4
69.16681	2.1
69.17085	13.5
79.05497	9.5
81.07059	46.7
81.07526	3.5
83.08638	9.9
89.06054	2.2
91.05468	10.5
93.07032	24.6
95.08609	87.0
97.06538	3.4
97.10186	6.6
105.07042	27.7
107.07875	2.7
107.08592	41.1
108.08936	2.9
109.06534	3.7
109.10155	68.3
110.10524	1.8
110.68711	1.6
111.08086	3.3
111.11719	8.7
117.07027	3.3
119.08582	30.7
121.10139	34.5
123.08101	2.1
123.11720	24.0
125.09676	2.1
129.06999	3.5
131.08565	11.0
133.10127	29.0
135.08087	2.2
135.11696	25.1
137.13269	12.0
141.90053	1.6
143.08607	6.9
145.10115	16.7
147.11687	17.7
149.13242	11.7
151.14833	2.8
151.29544	1.8
157.10152	11.1
159.11682	21.7
159.12840	2.3
160.12415	1.9
161.13249	16.0
163.14815	9.4
169.10150	2.8
171.11678	11.0
173.13287	13.2
175.14824	12.4
177.16382	13.9
179.14363	2.9
179.17995	2.5
185.13249	8.4
187.14789	12.3
189.16411	16.6
191.14359	2.2
191.17940	21.0
193.15845	3.3
197.13298	4.9
199.14796	9.9
201.16423	12.0
203.17981	15.6
204.18405	1.9
205.19522	12.3
207.17480	2.4
211.14844	4.7
213.16486	8.6
215.17902	8.0
217.15979	4.8
217.19478	14.9
219.17516	7.0
225.16431	2.6
227.18057	6.0
229.19540	9.4
231.17441	4.6
231.21184	7.8
239.17960	3.5
241.19554	8.1
243.21190	6.9
245.19070	6.7
253.19566	3.1
255.21078	8.9
257.22678	6.0
259.20761	3.8
267.21210	7.2
269.22766	4.5
270.23010	1.7
271.20554	4.0
281.22900	1.8
283.24261	1.8
285.22244	6.3
295.24271	4.2
297.25772	3.2
299.23758	2.2
313.25381	5.5
323.27444	2.1
335.27277	3.6
337.28891	2.5
365.31955	3.2
405.30130	2.0
405.35214	36.8
406.35687	5.4
423.36307	100.0
424.36749	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	423.362
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05503	11.5
57.07068	4.6
58.00908	2.5
67.05507	22.4
69.07068	19.9
69.22619	19.5
70.30268	2.3
79.05499	14.1
81.07065	56.6
83.08618	11.5
85.06567	2.7
91.05445	13.1
91.80863	2.4
93.07046	36.5
95.08609	96.7
96.26153	3.1
97.10173	6.7
99.08099	2.4
105.07032	35.2
107.08601	66.5
107.17076	2.2
109.10159	67.8
109.68127	2.7
110.10470	4.3
111.08080	4.8
111.11742	4.9
111.88264	2.4
117.06992	4.7
119.08576	34.8
121.10143	41.9
123.08051	2.4
123.11707	32.8
131.08592	10.7
133.10149	30.0
135.11684	40.8
137.13280	10.8
143.08545	3.5
145.10094	17.2
147.11713	31.5
149.13252	25.5
151.11195	5.0
157.10162	7.5
159.11700	23.3
161.13251	28.3
163.14799	20.1
165.12712	3.1
171.11678	6.0
173.13245	18.8
175.14810	14.8
177.16438	8.8
179.14334	4.2
185.13361	6.4
187.14780	13.1
189.16406	13.7
191.17963	15.6
193.15929	4.8
199.14867	4.9
201.16397	28.4
203.14227	2.6
203.17973	29.8
205.15900	6.2
205.19522	4.3
213.16383	10.0
215.17934	13.0
217.15971	5.4
217.19527	28.3
219.17422	12.4
219.21078	3.8
227.17996	8.7
229.19569	8.6
231.17442	5.7
231.21097	10.3
233.18976	5.5
241.19550	4.9
243.21196	4.5
255.21170	6.1
257.22675	8.7
259.20819	3.4
259.24197	3.2
267.21051	4.2
269.22781	7.2
283.24228	6.4
297.26019	3.3
309.25882	2.8
365.32086	6.4
405.35190	16.6
406.35852	3.0
423.36252	100.0
424.36667	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	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
52.14706	2.1
55.05507	15.0
57.07077	8.9
65.03889	1.8
67.05509	23.0
69.03455	2.9
69.07071	33.0
79.05487	18.1
81.07056	63.2
83.05000	2.4
83.08629	13.8
89.06045	2.8
89.55649	1.8
90.21738	1.9
91.05481	10.0
93.07046	30.4
93.28724	1.8
94.07379	2.6
95.04983	3.1
95.08607	93.1
97.06513	1.9
97.10167	10.5
105.07031	39.3
107.08594	57.2
107.09280	4.2
109.06533	4.0
109.10160	61.0
109.24529	2.1
110.10506	2.1
111.08102	4.0
111.11726	7.2
114.32845	1.9
117.07031	7.4
119.08578	46.5
121.06552	3.0
121.10146	67.9
122.10455	3.4
123.08067	5.7
123.11713	49.0
124.59751	1.8
129.07027	5.4
131.08582	15.3
133.10123	38.0
134.10468	2.5
135.08061	4.1
135.11708	30.8
137.09634	2.5
137.13249	20.7
142.07729	3.9
143.08551	9.5
144.09404	3.5
145.10109	27.2
147.08078	4.1
147.11696	26.7
148.12064	1.9
149.13248	22.7
149.14349	2.8
150.13603	2.0
151.11212	2.3
151.14801	2.8
155.08563	5.0
156.09325	3.1
157.10135	15.6
158.10841	2.9
159.11697	26.4
161.09612	3.7
161.13249	23.4
163.14851	8.7
165.12791	3.7
169.10124	5.9
171.11696	12.7
172.12280	1.8
173.13251	22.4
174.13647	2.5
175.14828	18.8
177.12865	2.1
177.16374	12.3
179.14290	3.4
182.11118	2.1
183.11642	9.5
185.13252	11.4
187.11256	2.2
187.14807	20.1
189.12733	3.2
189.16356	17.5
190.16806	3.0
191.17961	22.5
193.15836	2.6
195.11653	2.4
197.13239	7.0
199.14818	13.4
200.15460	2.5
201.16362	11.8
203.14369	6.6
203.17909	9.3
205.15865	4.3
205.19516	6.2
209.13344	2.4
211.14827	5.7
212.15628	2.6
213.16347	15.1
215.17903	9.7
217.12239	2.9
217.15892	4.7
217.19536	11.8
219.17514	4.5
223.14774	2.4
225.16431	6.1
227.17990	9.2
229.19566	12.6
231.17451	8.2
231.21100	8.5
233.19019	8.5
239.14764	3.0
239.18022	2.3
241.19525	7.0
243.21169	9.0
245.19106	4.5
245.22679	5.2
253.19624	4.4
255.21088	5.5
257.22614	4.6
259.20615	5.7
267.21100	8.2
269.22543	3.8
271.24133	2.9
283.24194	4.7
285.22137	5.8
295.24234	3.9
297.25616	2.4
309.25671	2.7
321.25735	5.7
323.27377	4.7
327.27090	2.4
335.27261	8.4
337.28961	3.6
349.29108	3.1
363.30481	5.2
395.32642	2.2
405.30121	4.3
405.35208	92.1
406.35614	10.7
423.36804	100.0
424.37094	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
55.05515	23.2
57.07079	9.4
58.04039	1.8
65.03929	2.6
67.05508	44.2
69.03444	4.4
69.06719	4.2
69.07072	39.8
71.05000	7.1
71.08641	3.4
71.63549	1.8
79.05496	33.0
81.03464	2.2
81.07064	82.9
82.07392	3.4
83.04993	5.0
83.08622	17.8
85.06560	4.2
85.10172	2.2
89.06033	3.9
91.05486	39.2
91.47581	2.2
93.07055	61.5
93.07632	4.1
95.04987	8.5
95.08611	100.0
97.06554	3.0
97.10189	9.1
99.08106	4.4
103.05502	3.7
105.07039	63.8
107.08602	83.7
108.08950	3.9
109.06532	10.3
109.10163	78.0
110.10471	3.4
111.08095	5.2
111.11745	5.8
115.05472	2.4
117.07050	10.2
119.08585	80.0
120.08898	5.0
121.06534	6.5
121.10150	79.4
123.08106	8.3
123.10905	1.4
123.11713	39.5
125.09660	4.3
127.11191	3.2
129.07047	8.1
131.08577	28.6
133.06522	3.1
133.08598	3.2
133.10135	67.4
135.08047	13.4
135.11691	40.4
135.12642	2.0
137.09636	4.4
137.13251	12.1
139.11275	2.9
141.06990	3.1
142.07790	4.8
143.08588	12.4
143.90565	2.1
144.09375	4.5
145.10120	40.1
146.10545	2.8
147.08073	6.7
147.11691	60.2
148.12051	2.5
149.09608	17.7
149.13266	26.6
151.07582	3.3
151.11099	4.3
151.14886	3.7
155.08566	2.7
156.09369	3.8
157.10138	20.8
158.10883	3.1
159.07997	3.8
159.11711	46.9
161.09685	6.2
161.13264	36.0
163.11194	11.0
163.14839	11.3
165.09154	2.5
165.12772	2.7
167.10721	8.0
167.14272	3.2
169.10153	12.5
170.10953	3.2
171.11714	19.1
172.08885	2.2
173.09679	3.5
173.13271	30.2
175.11221	6.3
175.14836	19.2
176.15132	2.2
177.12750	10.7
177.16394	12.6
179.08696	2.3
179.14337	5.7
181.10155	2.9
183.11703	10.0
184.12373	3.6
185.13310	13.4
187.11256	6.2
187.14857	24.6
188.15511	2.5
189.12741	6.6
189.16383	28.6
190.16699	2.1
191.10678	2.8
191.14346	5.9
191.17957	23.6
192.18242	2.7
193.12215	2.5
195.11717	3.3
197.13315	10.4
199.11299	2.3
199.14841	12.6
201.12817	4.0
201.16353	26.6
203.14325	8.2
203.17964	25.5
205.15950	14.3
205.19606	6.7
209.13350	3.7
211.14799	7.7
213.12801	2.7
213.16399	10.7
215.14349	5.5
215.17987	17.3
217.15965	9.0
217.19470	18.8
219.13805	6.1
219.17513	6.9
220.17824	2.2
221.15366	5.1
223.14888	5.4
225.16537	5.4
227.17921	9.1
229.15764	2.5
229.19527	5.0
231.17480	6.6
231.21086	3.2
233.15413	4.8
233.19044	7.6
235.14856	2.8
237.16498	2.8
239.14807	2.8
239.18074	3.9
241.19513	7.6
243.17581	2.7
243.21161	7.1
245.15280	3.2
249.16415	2.8
251.17879	2.4
253.19591	7.5
255.17314	2.6
255.21078	7.8
257.19229	4.0
257.22583	5.4
259.20404	2.6
261.22153	3.1
265.19534	3.6
267.21036	5.1
269.22662	5.0
281.22601	2.8
283.20581	3.1
283.24011	2.7
285.18634	3.3
285.22214	3.7
287.20016	4.0
297.25708	4.1
299.23627	2.2
303.23138	3.1
312.96967	2.4
313.25226	3.3
321.25806	2.7
331.26434	2.7
337.28766	2.3
339.23184	2.5
339.26987	2.5
363.30447	2.9
381.31540	2.9
387.30475	2.3
394.99091	2.4
405.30557	11.3
405.35379	9.6
423.31903	63.0
423.36615	34.1
424.32855	7.2
424.37402	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	17.7
57.07087	6.1
67.05507	31.0
69.07076	35.2
69.07418	3.3
72.91158	2.4
79.05505	15.1
81.07062	53.6
81.07516	3.8
83.08636	12.8
83.85310	2.6
89.06016	2.2
91.05473	17.7
91.80153	2.3
92.49754	2.2
93.07044	36.2
95.04996	7.6
95.08611	100.0
97.06550	5.0
97.10204	10.0
105.07031	39.1
105.07651	2.6
107.08601	59.5
107.09277	3.7
109.10161	71.3
111.11771	10.5
117.07044	3.5
119.08587	54.3
120.08939	3.2
121.06510	17.3
121.10154	58.7
121.10986	3.0
122.10553	3.7
123.08141	6.8
123.11720	28.1
123.12392	2.7
125.06042	5.5
128.24960	2.5
129.07034	4.6
131.08548	14.5
133.10130	44.1
133.11014	2.7
135.08107	3.0
135.11700	36.9
137.13280	13.7
139.07617	6.5
142.07906	3.6
143.08629	10.8
144.09404	3.2
145.10143	26.6
147.11679	30.3
148.12065	2.6
149.09689	2.2
149.13274	17.6
151.11240	2.7
151.14890	5.0
157.10161	16.0
159.11702	30.6
159.12801	2.7
161.09688	4.4
161.13251	27.5
163.14888	12.1
169.10236	3.8
171.11708	18.6
173.13298	17.2
175.11270	3.7
175.14816	26.7
177.16380	14.9
179.14458	5.0
179.18047	3.3
183.11823	6.4
185.13277	11.2
187.14809	17.6
187.16353	2.2
189.12869	4.7
189.16386	33.3
191.14403	3.1
191.17914	15.7
193.19725	2.8
194.78854	2.3
196.12537	2.8
197.13426	9.1
198.62238	2.2
199.14958	8.9
201.16544	9.7
203.14316	4.1
203.18091	8.5
205.15901	5.4
205.19487	15.2
211.14961	6.8
213.16374	14.0
215.14481	6.9
215.18109	9.9
217.16051	9.7
217.19426	11.0
219.17570	7.5
221.09401	2.4
225.16492	5.0
227.18106	7.1
229.19690	4.9
231.17540	9.7
231.21216	6.9
233.15378	36.3
233.19106	2.8
239.18042	4.6
241.19640	5.2
243.21304	3.6
245.19182	5.3
245.22797	4.2
253.19518	3.5
255.21150	4.6
257.22794	3.0
259.20782	6.4
267.21313	9.7
269.22778	5.4
271.20737	3.7
281.22800	4.8
285.22256	6.6
295.24252	3.3
297.25812	3.5
309.25760	4.4
313.25388	3.3
321.25922	7.4
327.26910	5.1
335.27585	6.2
337.29169	3.7
363.30829	3.7
377.32156	2.9
405.35199	57.2
406.35980	7.1
423.36575	89.8
424.36951	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	423.3624
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.23784	0.7
55.05515	2.6
57.04785	0.7
57.07077	1.8
60.86434	0.7
67.05503	4.8
69.07071	8.5
69.21747	4.9
73.04608	0.7
76.53120	0.7
79.05502	1.9
81.07066	12.5
83.08640	2.9
85.06562	0.8
91.05486	2.1
93.07043	7.1
95.04978	2.2
95.08609	19.4
97.06542	0.8
97.10178	1.9
98.23315	1.2
105.07033	6.8
107.08598	9.5
109.10159	10.2
111.11766	1.7
114.78873	0.8
119.08575	8.5
121.06462	1.4
121.10144	9.8
123.08092	1.8
123.11719	7.8
125.13297	1.5
131.08612	2.1
133.10124	7.7
135.08080	3.7
135.11699	6.3
137.13274	4.3
143.08633	1.2
145.10150	4.0
147.11693	4.7
149.09644	2.0
149.13248	6.1
151.11255	0.9
151.14825	1.8
157.03412	0.7
157.10187	3.4
159.11687	3.4
161.09685	1.8
161.13251	4.8
163.11288	1.1
163.14868	2.8
171.11723	2.0
173.13316	2.9
175.14825	2.5
177.16423	2.3
185.13275	1.2
187.11205	1.7
187.14897	2.5
189.12807	1.0
189.16411	2.7
191.17992	1.8
197.13367	0.8
199.14906	3.4
201.16422	1.7
203.17995	1.2
211.14862	1.1
211.79338	0.8
213.16388	1.7
215.14502	0.8
215.18056	2.5
217.15884	5.7
217.19460	1.7
218.48329	0.7
219.17509	1.2
225.16380	1.4
227.18059	1.2
229.19569	1.2
231.17528	1.4
233.19040	0.9
237.16119	0.7
241.19464	2.4
243.21194	1.5
245.19032	1.2
255.21077	1.0
259.20700	2.5
267.21146	2.7
269.22656	1.0
273.22125	1.5
283.24286	0.8
285.22113	7.1
287.23785	1.2
299.23724	1.3
353.28763	0.9
380.07016	0.8
405.35275	7.0
406.35413	1.4
423.36279	100.0
424.36566	14.0
444.80997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89658	1.0
53.03952	0.8
55.05510	10.0
57.07074	3.9
59.04977	1.5
65.03935	0.8
67.05503	14.8
68.75487	1.0
69.03425	1.4
69.06721	1.5
69.07070	19.4
72.75295	0.8
77.28466	0.9
79.05494	7.5
81.06579	1.6
81.07058	27.8
83.08620	6.4
84.08163	1.2
89.06037	1.3
91.05483	6.4
93.07047	15.1
93.23492	0.7
95.08604	50.0
96.08929	1.3
97.06521	1.6
97.10168	4.5
98.23393	2.6
103.05415	1.0
105.07027	15.8
107.08594	29.0
109.06545	2.2
109.10160	33.6
109.10919	1.7
111.08084	2.4
111.11735	5.5
117.06998	2.1
119.08573	26.9
120.08896	0.9
121.06519	0.9
121.10143	28.9
121.11014	1.5
122.10522	1.2
123.07280	0.7
123.08077	3.6
123.11713	12.8
124.12053	1.1
125.09632	0.7
129.07001	1.5
130.07777	0.8
131.08571	10.6
133.06520	1.6
133.08609	0.9
133.10124	20.3
133.11055	1.5
135.08095	3.8
135.11691	16.2
137.09612	2.1
137.13255	9.6
142.07774	1.2
143.08594	4.9
144.09396	1.8
145.10112	11.3
146.64110	0.8
147.08095	1.2
147.11678	11.2
149.09624	8.5
149.13258	7.9
151.11238	1.3
151.14857	1.4
151.16154	0.8
156.09346	1.5
157.10109	7.4
157.13394	1.2
158.10931	4.2
159.11690	23.2
159.35384	0.9
160.12137	1.0
161.09636	6.1
161.13275	7.4
163.11223	1.0
163.14827	7.3
164.15167	0.8
169.10162	1.6
170.10928	2.4
171.11678	8.7
172.12332	1.1
173.13263	39.1
174.13966	5.4
175.11241	6.9
175.14816	21.6
176.15128	1.0
177.12820	1.3
177.16371	9.4
184.12480	5.2
185.13290	4.5
187.14850	7.3
189.12791	1.6
189.16396	7.2
191.14400	1.3
191.17950	18.2
193.15874	1.5
197.13237	1.3
199.14825	9.0
201.16371	5.6
202.13553	2.9
203.14265	2.2
203.16263	1.1
203.17879	4.7
205.15906	2.8
205.19528	10.0
207.17548	1.5
209.19057	1.9
211.14876	1.2
213.16345	4.6
215.17961	9.5
217.15884	66.1
217.19203	11.2
218.16261	4.1
219.17473	3.2
225.16408	1.2
227.17961	3.5
229.19565	4.0
231.17416	10.9
231.20988	1.7
233.18999	11.5
239.18034	1.3
241.19550	3.1
245.19031	2.9
255.21317	1.1
259.20508	1.7
267.20978	1.8
269.22687	0.9
271.24200	0.9
273.22122	1.0
281.22577	1.1
283.24362	0.8
295.24219	1.8
309.25806	1.9
313.25223	2.3
327.26941	1.0
329.28189	1.2
405.35117	20.5
406.35562	2.1
423.36218	100.0
424.36597	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34668	4.4
55.05502	20.9
59.51621	3.7
67.05499	24.3
69.07073	30.8
69.25973	30.0
70.03349	4.0
71.04995	12.2
76.21991	4.7
79.05493	22.2
81.00496	4.7
81.07055	47.0
83.08623	12.4
91.05495	27.8
93.07046	48.0
95.08617	78.9
96.08910	5.6
97.10151	6.0
105.06355	7.4
105.07037	69.2
107.08592	61.1
109.06540	4.7
109.10165	45.1
113.09688	7.6
117.07023	12.1
119.08583	68.1
121.10139	47.5
123.11718	18.7
127.11190	6.3
131.08586	16.5
133.10143	73.7
135.11713	33.2
137.13303	10.5
143.08553	12.8
144.09195	4.9
145.10168	28.0
147.11691	100.0
148.11977	4.9
148.75240	5.1
149.13243	27.6
157.10089	16.7
159.11697	27.3
161.13257	29.8
163.14807	14.0
171.11641	11.8
173.13220	16.0
175.14868	13.5
177.16376	9.7
179.14291	11.2
187.14838	21.9
189.16409	37.6
190.16743	5.1
191.17984	52.2
193.15923	7.4
199.14862	12.4
201.16374	43.7
203.18018	24.4
205.15910	9.1
211.14949	5.5
213.16444	9.0
215.17979	24.2
217.15895	12.2
217.19519	13.9
219.17474	7.2
227.18027	6.3
231.21062	6.8
233.18977	18.5
241.19423	5.9
243.21135	7.4
255.21161	14.6
260.22107	5.2
269.22565	5.2
281.22650	7.5
297.25729	11.1
298.26154	6.4
337.28976	26.9
387.55597	4.9
405.35095	11.8
423.31259	6.4
423.36310	89.6
424.36499	12.6
432.23633	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
54.44443	1.3
55.05513	13.8
57.07078	5.9
59.05000	1.3
65.03935	1.9
67.05508	19.1
69.03422	1.8
69.07072	22.2
71.04987	7.1
71.08635	1.5
77.03902	1.6
79.05499	19.6
81.07057	43.5
82.07388	1.4
83.04988	2.3
83.08624	10.0
85.06532	2.8
89.06059	2.0
90.90735	1.1
91.05480	19.2
93.07047	45.6
94.69994	1.3
95.04970	3.6
95.08614	57.2
96.08915	1.7
97.06516	4.5
97.10180	4.0
98.66068	1.2
99.08080	8.2
103.05469	1.3
105.07037	44.8
106.07381	1.5
107.04951	2.3
107.08600	54.4
109.06522	4.3
109.10151	39.8
110.10534	2.0
111.08073	3.2
111.11705	4.0
113.00029	2.9
113.09686	2.0
117.07000	4.8
119.08585	57.8
120.08936	3.0
120.29240	1.2
121.06493	4.7
121.10146	54.3
122.10464	2.6
123.08086	5.6
123.11708	29.3
124.12039	1.5
125.05998	17.0
125.09610	3.2
127.11195	3.0
128.06163	1.1
129.07051	2.7
131.08568	12.6
133.10130	54.4
134.10448	2.9
135.08057	5.1
135.11700	27.8
136.12091	1.3
137.09607	4.7
137.13271	7.0
139.07542	15.2
139.11189	1.7
141.07033	1.7
142.07756	2.1
143.08574	7.8
145.10135	27.5
147.08040	4.0
147.11693	61.5
148.12103	2.6
149.09595	3.3
149.13264	38.1
150.13603	2.0
151.07549	1.4
151.11197	1.3
151.14847	2.1
155.08537	2.7
156.09265	1.5
157.10135	10.6
158.10852	2.2
159.08136	1.8
159.11685	23.8
160.12213	1.3
161.09593	4.6
161.13258	21.4
162.13672	1.7
163.07487	2.1
163.11201	1.7
163.14807	10.2
165.09100	5.9
168.09348	1.3
169.10162	4.2
171.11707	9.8
173.09628	5.0
173.13275	17.9
175.11185	33.2
175.14803	12.2
176.11505	1.6
177.12755	1.9
177.16411	6.8
179.14389	2.7
182.10863	2.1
183.11671	4.1
185.13315	6.6
187.11264	1.9
187.14821	17.9
189.12741	3.8
189.16391	28.1
191.10707	2.1
191.14290	3.0
191.17938	28.4
192.18320	1.9
193.10197	1.3
193.15872	3.0
195.11804	1.3
196.12384	1.6
197.13214	6.6
199.11171	1.8
199.14815	8.2
201.16397	18.6
203.14328	4.3
203.17924	9.1
205.12283	1.2
205.15892	17.5
205.19563	1.2
207.17508	1.9
211.14850	3.8
213.12759	1.4
213.16373	5.7
215.14336	18.4
215.17903	15.1
217.16130	6.3
217.19524	25.1
218.19809	1.4
219.13783	2.6
219.17427	4.0
219.21172	1.4
221.15367	4.4
223.14748	1.3
225.16414	2.7
227.14236	1.6
227.17996	3.3
229.15933	1.7
229.19498	5.6
231.17393	2.6
231.21080	3.5
233.15375	100.0
233.18906	26.2
234.15732	7.5
239.14725	2.4
239.17891	1.4
241.19522	4.2
243.21040	3.9
247.20427	1.4
253.19429	2.9
255.21092	3.5
257.22733	1.4
259.20517	2.2
261.18555	3.0
267.21033	2.0
269.18985	2.8
269.22583	3.9
271.20786	1.8
275.20087	2.7
281.22696	1.8
283.24289	1.6
287.20047	5.4
295.24118	2.7
297.25806	2.2
299.20123	3.2
301.21637	2.6
313.21695	2.1
323.27167	1.4
329.24786	1.7
331.26382	1.4
337.28867	10.8
343.22800	1.6
377.32089	1.7
381.31595	1.5
395.33218	1.8
405.30664	5.6
405.35495	3.9
423.31464	33.8
423.36505	24.1
424.32007	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	423.3622
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05510	10.2
57.07071	2.8
59.04999	2.3
64.41042	1.6
67.05499	17.9
69.03426	2.1
69.07062	21.6
69.68087	1.1
77.03924	1.5
79.05471	6.8
81.07054	38.7
83.08612	8.3
91.05476	9.3
93.07047	18.9
95.04958	1.6
95.08603	59.9
96.08942	2.3
97.06541	2.9
97.10172	5.9
105.07021	17.6
107.08592	35.0
109.06478	1.4
109.10150	43.7
110.10500	2.0
111.08085	3.9
111.11725	7.4
117.07048	1.9
119.08583	30.8
121.06502	1.2
121.10147	36.2
123.08059	4.2
123.11690	18.0
129.07004	2.1
131.08549	13.2
133.06523	1.8
133.10118	27.1
133.11052	2.0
134.10524	1.3
135.08054	4.2
135.11702	19.3
136.12022	1.2
137.09619	3.1
137.13264	6.6
143.08562	7.6
144.09349	2.6
145.10110	20.6
147.08063	1.8
147.11678	13.1
149.09567	8.7
149.13263	10.0
151.14763	2.0
156.09340	3.6
157.10133	10.9
158.10954	6.2
159.11667	28.2
160.12045	2.2
161.09575	6.3
161.13228	11.0
163.14835	9.8
169.10150	3.4
170.10941	3.5
171.11678	11.9
173.13257	57.0
174.14023	8.9
175.11218	7.1
175.14815	32.5
176.15161	1.6
177.12761	1.7
177.16373	11.8
183.11777	1.5
184.12512	5.6
185.13298	4.7
187.11140	2.7
187.14822	8.1
189.12737	1.7
189.16302	8.8
191.17964	14.4
192.18213	1.6
193.15907	2.6
199.14803	12.5
201.12840	1.3
201.16388	6.4
202.13490	2.2
203.14354	3.6
203.17943	3.4
205.15921	3.4
205.19508	6.2
211.14803	1.9
213.16423	5.0
215.17949	8.0
216.15067	1.5
217.15869	75.7
217.19391	2.9
218.16289	4.7
219.17432	4.4
219.21158	2.4
227.17969	3.1
229.19551	3.8
229.30695	1.4
231.17429	12.5
233.19005	3.5
239.17914	1.6
241.19458	2.4
245.18987	2.6
247.20593	1.9
253.19519	1.5
255.21214	1.5
259.20520	3.0
269.22662	2.4
285.25546	1.3
295.24323	4.4
309.25763	3.2
313.25269	3.0
327.26859	4.7
339.26822	2.0
395.36801	2.0
405.35193	20.9
406.35294	2.2
423.36206	100.0
424.36575	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05508	17.1
55.66080	1.5
57.07075	6.3
67.05507	21.3
67.08417	1.9
69.03432	2.3
69.07071	38.6
71.08638	1.9
79.05492	14.1
81.07056	45.2
83.08617	11.5
91.05495	11.5
91.33083	1.7
93.07051	25.4
95.08608	82.6
96.08942	2.7
97.06530	3.3
97.10181	6.5
105.07035	27.2
106.44618	1.6
106.52253	1.5
107.08595	56.9
108.08986	1.8
109.06538	2.6
109.10155	52.0
110.10544	1.8
111.08125	2.0
111.11729	6.7
111.36597	1.6
113.09575	2.5
115.26463	1.7
117.07029	3.2
119.08580	36.1
121.10145	60.3
123.08068	4.9
123.11688	26.5
125.13283	3.1
125.63057	1.9
129.07050	2.4
131.08560	13.2
133.06442	1.8
133.10130	43.5
135.08067	6.1
135.11693	26.4
135.87814	1.6
137.09602	2.0
137.13243	11.2
139.11197	2.9
139.28380	1.6
142.07785	1.8
143.08536	7.3
144.09303	2.5
145.10110	21.8
146.10826	2.2
147.08070	1.9
147.11676	21.1
149.09610	6.6
149.13266	12.5
151.14778	3.4
155.08607	2.4
156.09375	3.1
157.10129	11.6
158.10916	4.8
159.11696	33.5
160.12146	2.8
161.09636	5.7
161.13269	14.2
163.14789	9.4
169.10165	3.5
170.10818	1.7
171.11725	12.0
173.13252	36.9
173.14626	3.0
174.13976	3.8
175.11145	5.3
175.14842	28.3
177.12764	3.1
177.16389	15.8
183.11710	5.8
184.12463	3.9
185.13217	7.4
187.14810	11.5
189.12755	2.0
189.16364	16.8
191.17941	25.6
193.15884	1.9
197.13336	2.9
199.14801	11.5
201.16388	10.0
202.13550	2.9
203.17952	10.3
205.15802	4.3
209.19124	2.0
211.14841	4.1
213.16414	5.6
215.17972	11.8
217.15881	51.6
217.19217	10.6
218.16217	2.5
219.17470	12.9
225.16382	2.9
227.18021	3.5
229.19533	5.0
231.17424	8.4
231.21097	2.6
233.19032	6.8
239.18065	2.7
241.19557	4.9
243.21230	2.5
245.19116	5.3
253.19376	2.9
255.21010	4.9
257.22537	1.9
259.20624	3.5
267.21063	6.8
269.22586	4.2
271.60538	1.9
278.23282	1.7
285.22110	7.3
295.24243	3.3
297.25784	4.6
299.72885	1.8
309.25745	5.5
313.25360	5.6
323.11237	1.8
327.26859	9.7
339.26917	3.4
349.28964	2.4
405.35165	31.4
406.35541	5.1
423.36209	100.0
424.36545	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.05515	19.3
57.07072	7.2
59.04973	2.7
67.05511	22.8
69.07072	56.1
69.10806	3.9
69.11211	15.8
79.05506	19.1
81.07061	66.5
83.08620	15.9
91.05486	14.9
93.07040	34.6
93.92316	2.7
95.08611	100.0
96.08933	3.7
97.06504	4.8
97.10167	10.2
102.88409	2.8
105.07034	34.9
107.08601	60.7
109.06545	4.7
109.10155	57.0
111.08085	3.9
111.11716	8.5
113.80590	2.4
117.07029	4.6
119.08591	42.7
121.10152	50.2
123.08071	3.2
123.11706	29.4
131.08598	14.1
133.10135	57.3
135.11693	26.0
137.13249	24.1
139.11198	6.2
142.07841	2.2
143.08575	9.7
144.09349	5.0
145.10152	30.4
147.11693	27.7
149.09639	5.7
149.13258	13.8
151.14835	3.9
153.12772	9.9
155.08536	3.6
156.09482	2.9
157.10114	14.8
158.10933	3.4
159.11693	33.1
161.09717	2.7
161.13271	17.3
163.11165	2.8
163.14832	10.9
169.10168	5.2
171.11707	9.7
173.13271	29.8
174.13905	3.0
175.11240	5.2
175.14827	19.9
177.16383	15.1
183.11726	7.4
184.12494	4.6
185.13254	11.1
187.14832	9.6
189.16309	13.1
191.17944	39.1
193.15892	4.8
195.11818	2.5
197.13246	7.9
198.14095	2.4
199.14873	10.2
201.16356	12.5
203.17947	28.6
205.15988	3.2
205.19545	5.0
207.17458	4.2
211.14751	3.5
213.16426	9.0
215.17964	8.9
217.15950	23.1
217.19467	22.0
218.16220	3.4
219.17439	9.6
225.16362	3.6
227.17900	8.7
229.19514	8.1
231.17581	4.7
233.19022	4.6
235.20615	2.7
239.17873	3.7
241.19583	7.1
243.21031	2.6
245.18996	10.5
253.19431	2.9
255.21089	9.6
267.21024	9.2
269.22537	13.7
281.22629	5.0
285.22122	17.5
287.23935	3.4
295.24243	6.5
297.25641	3.7
299.23782	3.5
313.25140	2.6
405.35147	40.6
406.35446	4.3
423.36246	71.3
424.36554	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21850	2.4
52.03536	2.1
52.60832	2.1
52.77286	2.0
53.03941	3.0
54.13317	2.0
55.05513	15.8
57.07069	6.1
65.03953	2.5
67.05514	29.0
69.07066	23.3
69.68732	10.2
79.05483	20.1
81.07058	50.5
83.08596	15.0
85.06532	2.9
91.05480	19.2
93.07042	42.6
95.04933	2.7
95.08607	83.4
96.08976	2.5
97.06544	2.7
97.10159	4.0
105.07028	35.8
107.08598	51.4
109.06554	5.3
109.10149	52.7
110.10526	3.2
111.08018	2.3
111.11766	6.4
116.86501	2.3
117.07037	5.6
119.08576	46.5
121.10155	42.3
123.08105	11.4
123.11710	28.3
129.06981	3.4
131.08577	13.4
133.10121	29.4
135.08150	3.7
135.11697	28.3
137.13290	5.6
139.11168	3.1
143.08554	7.0
144.09363	3.0
145.10126	26.0
147.11694	23.8
149.13246	14.8
151.11115	2.1
151.14828	2.7
157.10133	13.9
159.11707	24.7
161.13249	15.5
163.14839	14.7
165.12791	3.4
169.10179	7.4
171.11707	10.8
173.13252	16.0
174.42413	2.1
175.14793	14.5
177.12723	3.5
177.16425	8.2
179.14297	15.8
183.11725	6.8
185.13298	9.0
187.14856	8.2
189.16316	14.8
191.17952	13.1
193.15994	6.6
197.13290	5.2
199.14862	8.9
201.16339	12.8
203.17946	18.3
205.15936	5.3
211.14952	3.6
213.16382	9.8
215.17867	11.7
217.19469	6.2
219.17509	6.2
221.19040	4.6
225.16382	2.8
227.17987	7.5
229.19504	20.8
231.21111	9.2
241.19519	10.5
243.21161	7.7
253.19623	12.8
255.21118	11.7
257.22699	8.2
267.20966	3.5
269.22672	9.5
271.24332	3.1
283.24237	2.6
295.24167	2.8
311.30988	2.6
331.26312	4.0
365.31934	3.9
405.35535	11.7
423.31094	17.7
423.36264	100.0
424.36432	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	424.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10458	0.7
56.96564	3.4
69.64907	1.0
69.65183	4.1
71.95262	0.9
87.41598	0.7
97.60081	0.7
98.97593	19.7
112.47817	1.0
116.98630	11.6
134.99644	4.6
142.86977	0.9
153.28000	0.8
158.20450	0.9
174.97623	1.6
177.77864	0.7
182.99956	0.9
190.95572	1.4
192.98804	2.7
214.95708	1.7
216.98973	4.7
232.96620	3.5
233.96848	1.3
234.99971	12.9
236.00301	0.9
240.98917	10.7
244.66165	0.9
250.97762	2.1
251.97969	0.9
253.01100	1.5
256.96707	3.4
257.96933	1.5
258.99966	49.8
260.00006	2.4
261.02988	1.3
262.03198	1.1
263.02899	2.9
264.99109	3.1
273.98770	1.5
274.97638	11.7
275.97870	3.4
276.97693	2.2
277.00983	32.9
278.01065	1.9
279.00723	1.3
283.00009	77.6
284.00162	1.9
284.99780	1.5
291.99689	0.9
292.98563	4.3
293.98975	1.6
298.97729	5.3
299.97971	3.1
301.01050	100.0
302.01239	2.2
303.00894	2.0
316.98889	7.9
317.98959	5.6
318.98618	2.8
319.02231	3.4
324.02725	1.4
359.00247	1.7
364.99222	1.6
383.00067	1.6
401.01273	6.9
403.01636	1.0
407.00040	5.7
425.01205	37.0
440.98947	1.8
441.99106	3.7
442.19479	2.1
443.02319	81.7
445.02377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64853	6.0
52.28239	6.4
52.51178	6.6
56.96564	10.9
60.70933	6.0
69.03424	8.7
69.34219	41.3
70.06586	13.7
70.47929	7.5
72.08142	7.9
81.03410	9.9
84.08146	44.2
85.02909	20.1
85.08482	7.1
85.67262	7.4
91.05480	18.8
97.02886	7.2
98.97635	7.6
101.00869	12.8
103.05502	12.7
105.03433	7.7
119.01936	19.8
120.08097	8.4
121.06509	22.0
129.10240	17.6
130.10637	7.3
131.04929	21.1
133.01939	6.3
133.02863	36.6
136.07596	7.1
137.06006	23.6
143.01912	32.8
149.06020	43.0
155.01886	7.8
157.03494	6.8
161.02975	49.9
165.05498	35.6
167.07065	77.5
173.02994	14.1
176.28679	6.8
177.05486	92.5
180.33495	6.2
185.02948	26.0
191.04051	6.7
197.08112	92.6
198.08554	7.6
203.04033	11.4
209.08101	100.0
210.08286	6.7
227.09174	41.7
245.05061	87.6
263.06186	27.4
275.06195	11.0
305.07117	8.1
312.65063	7.9
424.12802	13.4
424.17902	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
55.01870	11.8
55.05507	20.9
57.03437	52.2
57.07066	6.2
59.05006	11.6
61.02928	9.2
61.77379	4.2
67.05508	23.2
69.03426	41.4
69.07079	22.3
69.89201	3.7
71.04987	13.2
79.05489	12.5
81.03419	26.4
81.07057	53.1
82.07382	4.2
83.04993	5.7
83.08620	12.7
85.02907	100.0
85.03416	4.9
86.03218	4.1
87.00824	49.9
91.05489	24.6
93.07040	37.5
95.04976	6.2
95.08603	43.8
96.08958	7.8
97.02892	44.6
97.06545	6.3
97.10136	6.7
99.04475	10.6
105.01860	83.4
105.06352	5.4
105.07023	37.0
106.07365	4.8
107.08606	42.9
108.08919	8.7
109.02870	20.1
109.06513	6.1
109.10147	27.3
117.07013	11.5
118.16360	4.2
119.08575	56.5
119.11815	3.6
120.08902	9.5
121.06510	6.9
121.10165	34.4
122.10478	3.7
123.08098	7.5
123.11713	66.9
127.03919	58.1
131.08597	34.0
133.10133	33.5
134.10451	5.9
135.08061	8.8
135.11696	16.0
137.09673	5.4
139.07529	4.4
141.12733	76.5
142.07680	4.2
142.12997	4.5
143.08598	13.5
145.04926	30.9
145.10127	47.0
146.10461	6.2
147.11736	20.5
149.13249	8.6
157.10114	13.4
158.10573	5.3
159.02858	10.9
159.08057	4.8
159.11734	37.7
159.13803	80.2
160.12042	7.7
161.09706	5.2
161.13261	12.9
163.14795	8.3
171.11697	7.9
172.12367	6.7
173.13300	22.4
175.14842	14.4
177.12848	4.5
177.16431	9.5
183.11800	11.9
184.12004	5.8
185.13249	18.3
186.13676	13.7
187.14819	48.5
188.15173	9.8
189.16434	18.6
197.13145	4.2
199.14850	14.2
201.16379	46.4
202.16750	9.1
203.14331	10.0
203.17941	9.4
205.16048	5.0
213.16460	12.1
215.17947	19.0
217.15956	10.8
218.16278	4.5
219.17390	5.2
227.17973	8.0
229.19432	8.6
231.05005	18.8
241.19518	6.4
249.06104	14.3
255.21155	10.1
269.22574	7.9
284.09955	5.5
406.31735	14.2
407.32968	17.3
424.32846	41.7
425.34195	64.3
441.23538	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	424.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	22.3
67.05502	33.4
69.03419	14.4
69.07088	25.6
70.67390	37.1
71.04989	20.6
71.07807	11.6
73.02906	12.3
79.05471	19.0
79.99789	12.7
81.07053	92.1
83.04971	32.5
84.35210	12.2
85.02937	12.9
91.05463	23.9
93.07047	89.0
95.04985	30.2
95.08589	68.8
97.06529	43.6
99.04462	26.2
101.02353	14.0
101.39985	12.2
105.07040	61.3
107.08598	41.0
109.06535	39.6
111.08083	41.2
119.08596	36.1
120.30447	12.8
121.06519	80.3
121.10162	19.3
123.08049	12.0
123.11710	33.1
125.06059	14.3
127.07556	13.4
133.10155	47.2
135.08078	26.7
135.57104	12.9
139.07515	20.5
141.12762	16.5
143.07072	12.7
147.11685	93.2
151.11168	17.9
155.08536	12.4
157.10107	33.7
161.04440	89.4
162.31964	12.4
164.06975	11.2
165.12778	31.7
167.10817	12.0
169.12242	46.2
175.11203	54.1
189.12729	31.9
193.12209	77.2
199.11139	26.0
207.13815	17.4
211.13281	72.2
215.30075	11.4
217.12193	83.3
229.14369	40.8
235.13283	100.0
253.14304	84.7
311.14703	17.1
325.16217	13.7
353.15979	32.5
371.17004	15.1
409.78339	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	12.0
55.01870	11.8
55.05507	20.9
57.03437	52.2
57.07066	6.2
59.05006	11.6
61.02928	9.2
61.77379	4.2
67.05508	23.2
69.03426	41.4
69.07079	22.3
69.89201	3.7
71.04987	13.2
79.05489	12.5
81.03419	26.4
81.07057	53.1
82.07382	4.2
83.04993	5.7
83.08620	12.7
85.02907	100.0
85.03416	4.9
86.03218	4.1
87.00824	49.9
91.05489	24.6
93.07040	37.5
95.04976	6.2
95.08603	43.8
96.08958	7.8
97.02892	44.6
97.06545	6.3
97.10136	6.7
99.04475	10.6
105.01860	83.4
105.06352	5.4
105.07023	37.0
106.07365	4.8
107.08606	42.9
108.08919	8.7
109.02870	20.1
109.06513	6.1
109.10147	27.3
117.07013	11.5
118.16360	4.2
119.08575	56.5
119.11815	3.6
120.08902	9.5
121.06510	6.9
121.10165	34.4
122.10478	3.7
123.08098	7.5
123.11713	66.9
127.03919	58.1
131.08597	34.0
133.10133	33.5
134.10451	5.9
135.08061	8.8
135.11696	16.0
137.09673	5.4
139.07529	4.4
141.12733	76.5
142.07680	4.2
142.12997	4.5
143.08598	13.5
145.04926	30.9
145.10127	47.0
146.10461	6.2
147.11736	20.5
149.13249	8.6
157.10114	13.4
158.10573	5.3
159.02858	10.9
159.08057	4.8
159.11734	37.7
159.13803	80.2
160.12042	7.7
161.09706	5.2
161.13261	12.9
163.14795	8.3
171.11697	7.9
172.12367	6.7
173.13300	22.4
175.14842	14.4
177.12848	4.5
177.16431	9.5
183.11800	11.9
184.12004	5.8
185.13249	18.3
186.13676	13.7
187.14819	48.5
188.15173	9.8
189.16434	18.6
197.13145	4.2
199.14850	14.2
201.16379	46.4
202.16750	9.1
203.14331	10.0
203.17941	9.4
205.16048	5.0
213.16460	12.1
215.17947	19.0
217.15956	10.8
218.16278	4.5
219.17390	5.2
227.17973	8.0
229.19432	8.6
231.05005	18.8
241.19518	6.4
249.06104	14.3
255.21155	10.1
269.22574	7.9
284.09955	5.5
406.31735	14.2
407.32968	17.3
424.32846	41.7
425.34195	64.3
441.23538	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	42.7
57.98205	24.5
70.21948	22.9
70.92930	54.1
70.93279	50.6
83.04967	27.3
84.04472	28.1
85.02880	44.5
93.07033	33.7
93.86771	27.4
97.15122	27.2
105.07062	31.2
110.16618	28.6
121.10191	52.7
137.29367	26.5
191.14423	46.4
209.15398	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17461	18.7
55.05502	30.8
57.38068	16.7
62.89037	15.8
67.05504	26.1
69.07068	23.9
69.34715	57.8
69.35143	54.2
70.06600	65.1
81.03439	22.0
81.07074	31.1
83.04990	23.7
84.08128	19.6
85.02924	36.7
86.09715	78.8
91.05502	30.8
93.07076	30.0
95.04986	44.4
95.08600	34.1
97.02904	19.9
105.07008	20.9
107.08595	24.4
109.06513	31.9
109.78242	16.2
121.10169	28.8
123.08070	25.5
133.10143	23.1
136.07637	18.8
137.06078	26.6
141.09099	22.9
143.78217	20.0
183.06552	17.7
209.15332	46.3
213.12346	27.4
215.13965	34.5
227.12819	22.3
311.18033	19.0
312.13571	18.0
423.40063	19.5
425.18167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	23.9
63.26617	19.6
65.13259	20.8
67.05495	19.8
68.99806	17.7
70.06589	77.6
70.66913	34.6
70.67238	28.0
70.79316	20.0
83.04983	22.8
84.04498	33.4
85.02911	43.8
86.09697	65.1
86.62168	21.4
89.08503	21.5
90.75941	19.2
93.07061	28.1
95.04971	28.1
95.08646	45.5
97.06554	24.1
99.08129	22.4
105.07079	26.0
119.08652	34.7
123.08073	48.4
125.06034	24.3
127.03915	26.2
128.13962	20.4
131.08560	26.4
136.07565	26.9
145.03014	20.9
174.09134	34.5
176.09647	21.6
189.58060	21.3
209.15349	46.4
215.13847	26.2
235.80377	21.7
243.13406	26.2
244.09773	33.8
262.10693	36.0
380.13297	28.1
380.60681	19.5
406.07968	22.5
425.18188	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.6
58.04213	1.1
59.11826	1.0
66.98723	1.0
69.07086	1.0
69.27031	5.0
69.27448	1.3
70.06583	2.4
84.04516	1.2
84.08145	2.6
85.02941	1.0
85.04918	0.9
92.48565	0.9
93.07022	1.2
97.86092	0.9
98.19041	0.9
105.07061	1.1
110.07158	2.4
120.08144	2.3
121.08414	1.0
127.41505	0.9
129.10255	1.3
168.72198	0.9
185.04269	3.1
187.03694	11.0
188.04443	2.0
209.15405	3.5
231.07681	1.6
244.93254	1.0
263.08905	9.2
277.08264	1.9
350.09787	4.1
425.14206	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
67.05510	23.0
69.03426	10.3
69.07069	22.3
69.09441	6.1
70.77546	17.8
71.08617	12.9
81.07046	36.5
83.08607	12.9
85.02924	22.1
85.06555	12.7
91.05480	10.4
93.07047	17.8
95.08604	37.8
97.06539	7.2
98.23337	8.1
98.31031	7.8
99.08086	16.5
105.01910	8.8
105.07030	22.6
107.04991	7.2
107.08584	22.7
109.06530	7.5
109.10168	20.8
111.08077	72.7
116.57058	7.7
119.08572	30.8
121.10134	30.3
123.11748	9.0
127.03900	17.1
131.08609	8.2
133.10138	14.4
135.11659	7.5
145.10109	20.9
147.11667	16.5
149.13240	9.4
155.14302	80.0
157.10147	11.3
159.11737	15.2
173.13322	12.5
175.14883	10.1
183.13820	100.0
187.14827	26.5
189.16345	8.4
190.39853	7.3
201.14867	36.1
201.16505	12.7
203.14371	26.6
204.14635	9.8
205.15871	14.3
287.05551	16.3
375.00934	7.9
424.23929	9.1
424.32971	36.9
425.34039	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
67.05500	2.9
69.03429	4.3
70.06575	8.5
70.56525	4.7
70.56846	3.9
71.04979	6.4
77.36321	2.4
79.05466	4.0
81.07049	6.0
83.08612	5.8
85.02892	6.0
91.05469	5.0
93.07021	7.1
95.04976	16.7
95.08620	8.7
97.07995	2.7
99.04455	4.3
105.07036	21.7
107.08600	19.3
109.06508	3.8
109.10153	5.4
119.08584	8.5
121.10141	100.0
122.06039	3.7
122.10474	2.9
123.08047	3.8
131.08559	7.8
133.10127	18.3
135.11705	8.2
139.11168	5.4
147.10672	3.6
147.11674	21.0
151.11212	4.7
153.09076	5.9
163.14796	5.9
165.12762	10.9
167.14282	6.3
173.13240	16.2
191.14291	26.2
192.14684	2.6
209.15370	30.2
214.12473	3.1
227.16524	3.1
425.18173	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.8
55.05515	9.0
57.03440	3.6
57.07084	3.8
58.68682	2.6
65.77925	2.7
67.05504	11.5
69.03443	3.9
69.07069	25.5
69.21613	22.6
71.05009	3.3
71.08637	5.2
73.02933	3.7
79.05498	7.9
81.07056	36.7
83.05006	4.7
83.08636	7.2
85.02902	26.1
85.06547	8.9
86.06130	4.7
91.05466	10.7
93.07052	12.0
95.04991	8.7
95.08628	27.0
96.08933	8.0
97.06533	3.6
97.10177	3.4
99.04428	6.5
99.08077	4.6
101.02390	8.8
105.07026	23.0
106.07352	3.3
107.08575	19.9
108.08952	5.0
109.06511	10.1
109.10165	6.5
111.08073	3.1
115.07645	3.6
116.10741	7.9
119.08604	13.4
121.10137	22.7
121.47638	2.8
123.08089	4.8
123.11726	26.3
127.07590	9.3
131.08598	4.2
133.10184	5.1
141.09157	6.1
141.97211	3.1
143.08563	3.7
143.10661	3.2
145.10147	13.0
146.10397	5.3
147.11702	40.4
148.12059	6.1
149.13344	3.2
150.13663	3.3
155.14343	10.9
157.10080	4.7
159.08089	9.2
159.11659	4.1
162.13538	3.5
163.11301	4.2
163.14922	3.6
165.09142	17.4
165.12758	24.4
166.13022	3.2
172.12024	3.6
175.14827	4.5
177.09088	3.5
183.13812	100.0
184.14226	3.2
187.14812	9.7
188.15204	6.6
201.14856	73.7
202.15125	3.7
203.14247	7.2
206.16306	3.8
214.18210	4.1
251.64607	2.9
326.23276	10.8
406.32101	4.5
424.33212	26.2
425.25253	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07932	1.2
55.05519	6.4
57.07079	39.6
65.03992	1.3
67.05505	8.2
69.03431	2.0
69.07078	11.0
69.19506	9.6
71.08634	30.8
73.06561	2.3
79.05498	4.6
80.05826	1.1
81.07061	11.6
83.08626	5.8
85.06545	1.8
85.10183	18.4
87.04470	2.1
89.06036	100.0
90.06370	2.0
91.05496	5.7
91.07655	1.3
93.07064	7.9
94.07420	1.5
95.04975	2.1
95.08608	18.1
96.08944	4.1
97.06535	1.7
97.10160	4.7
98.22620	2.1
99.08061	2.0
99.11761	2.1
105.07030	9.4
106.07375	2.3
107.05004	1.3
107.07091	2.9
107.08601	11.9
108.08951	2.2
109.06498	1.3
109.10165	12.5
110.10511	1.9
111.11714	4.7
113.13281	2.0
117.07002	1.6
117.09126	2.5
119.08582	10.7
120.08913	3.1
121.06550	1.4
121.10160	10.4
122.10426	1.3
123.04472	1.4
123.08062	2.2
123.11666	6.0
124.12036	1.6
129.07004	1.2
129.17699	1.4
131.08575	4.0
133.08609	44.9
133.10086	8.4
134.10425	1.9
135.11673	5.7
137.13254	2.0
143.08568	2.1
145.10135	7.1
147.11714	7.5
148.12070	1.3
149.09668	3.0
149.13261	4.4
151.09689	3.9
157.10126	3.7
159.11745	6.4
160.12065	1.6
161.13245	4.7
163.11235	1.6
163.14864	2.0
169.10127	1.6
169.19531	2.3
171.11685	3.4
173.13240	3.7
175.11192	2.4
175.14857	2.3
177.11258	9.0
177.12683	2.1
177.16371	1.4
185.13232	2.1
186.13615	1.9
187.14851	1.8
188.15215	1.9
189.16400	4.6
191.14241	1.3
191.17981	2.9
192.00998	1.4
195.12158	2.0
197.13264	2.2
199.14737	1.3
201.12819	1.4
201.16376	2.2
203.17949	3.4
207.55309	1.2
211.15039	2.0
213.22185	2.1
215.17986	1.8
217.12328	1.6
233.15422	2.7
239.14929	23.0
257.24695	3.9
271.20462	1.4
301.27347	2.4
363.30673	1.1
406.31491	2.1
407.29062	1.8
407.33698	14.6
408.33932	1.5
424.32538	8.7
424.37784	1.9
425.21817	6.0
425.30069	5.3
425.35065	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	425.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	31.6
57.03442	7.2
59.46658	3.4
62.70096	4.1
64.75296	3.2
69.03432	14.8
69.22894	12.5
69.23312	15.5
84.08142	9.2
84.96039	6.3
85.02920	14.5
97.02902	21.9
98.97586	97.7
101.00880	24.3
103.00624	3.9
109.02877	6.3
110.97561	27.3
112.83592	3.5
112.99155	14.7
113.00901	9.7
115.02441	6.8
116.98614	24.2
119.01917	30.8
126.97165	3.6
127.02442	6.2
127.03966	11.0
128.98636	11.4
129.02094	3.7
131.00194	12.6
131.01921	18.1
133.01755	5.8
133.03481	5.2
134.99631	5.0
139.02509	4.6
140.98567	4.0
141.02257	4.8
143.00163	9.5
143.01880	40.9
144.01865	4.1
145.01703	3.8
145.03485	16.2
145.04950	7.5
146.99696	7.2
147.03316	4.1
147.04997	4.9
149.01231	5.5
152.98663	5.0
155.01924	24.3
157.03484	10.9
158.99643	19.8
159.04994	6.0
161.01308	6.9
161.02960	57.8
163.02853	4.8
167.01984	7.4
167.07025	5.5
169.03513	5.9
170.99670	13.2
171.04984	5.8
172.97644	4.4
173.01421	6.3
173.02885	27.3
174.02992	4.6
174.04521	5.8
175.02760	6.9
175.04543	4.4
176.01837	4.5
177.00737	14.7
177.04369	5.6
179.01944	6.8
182.03206	4.1
183.03293	3.9
185.02939	38.0
186.03090	5.4
187.04523	5.5
189.00703	7.2
189.06313	4.6
191.02293	4.5
191.04016	8.7
197.02966	16.3
199.04584	3.8
201.00722	11.7
201.04388	3.7
201.06128	5.4
203.02278	6.4
203.04042	20.4
205.03815	5.5
211.04753	5.7
215.04019	11.6
216.98573	6.5
219.01743	39.6
219.07205	5.1
221.03316	14.7
221.05136	10.2
226.98367	3.7
227.03990	6.3
231.07143	11.6
232.99586	5.1
237.02888	37.3
238.03033	4.3
239.04068	5.5
245.05077	100.0
246.05211	9.2
255.07222	14.2
257.05121	6.5
260.94690	3.5
261.02917	8.7
263.00998	4.6
263.06198	32.6
275.06104	14.9
279.03961	7.1
281.01697	4.2
281.05386	7.2
291.09341	9.5
295.07040	12.4
305.02036	6.1
305.07230	7.6
307.06744	3.8
311.00354	13.7
321.10526	27.7
322.10327	6.6
323.02783	7.5
337.08005	7.9
355.09039	5.5
365.07773	11.1
383.08945	6.8
423.69806	3.5
425.06238	27.3
425.11490	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	425.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.6
61.34202	1.3
71.31621	1.5
81.07061	1.2
85.06530	1.2
86.09712	1.6
86.97217	1.1
91.05486	1.5
100.69691	1.1
105.07016	1.5
106.31123	1.3
109.06544	1.8
120.08096	1.2
128.98619	2.1
136.07581	1.4
148.52722	1.4
178.80357	1.1
203.97260	2.4
221.98241	1.7
269.03354	2.3
281.03333	2.1
293.09995	2.0
299.04462	7.7
425.08252	22.3
425.14178	100.0
425.23679	3.1
426.08920	1.5
426.14282	5.6
434.22726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.1
58.33165	3.6
64.00881	3.1
64.79832	3.7
70.06599	10.9
70.71158	8.0
82.09843	3.0
82.35637	3.0
84.08151	6.1
85.02911	3.7
86.09724	6.6
91.05482	4.4
95.04966	3.7
97.90910	3.8
98.97600	9.1
110.07163	5.3
120.08080	3.9
126.92012	3.4
134.06973	3.1
136.07602	3.7
139.43631	3.4
144.76045	3.9
161.05943	3.7
166.08647	3.8
177.01056	3.1
196.09845	3.9
203.97241	6.8
205.01768	5.5
217.93970	3.3
221.98296	5.9
223.02808	3.7
249.83347	3.7
263.08902	3.4
269.03354	10.1
281.03400	10.9
299.04489	20.8
425.08350	100.0
425.14203	89.8
425.19046	12.4
426.08737	6.4
426.14078	7.9
443.08725	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90492	0.6
56.96566	1.3
58.56837	0.6
69.76754	2.4
70.98130	0.7
70.99834	0.8
71.61354	0.6
81.03390	0.6
82.99804	3.1
86.99301	0.6
94.99896	0.9
97.02896	1.2
98.97601	2.0
101.00880	20.3
102.00932	0.7
109.02854	0.9
110.97600	0.7
113.00884	4.9
115.02400	1.0
119.01926	22.4
120.01989	1.5
124.00998	0.6
127.02387	2.9
129.04027	0.6
131.01903	9.0
137.02946	1.8
139.02386	1.8
143.01900	38.4
144.02029	2.7
145.03453	10.7
146.03607	0.9
149.02980	1.2
155.01903	15.8
156.01941	1.0
157.03467	7.7
158.03760	0.6
161.02959	50.6
162.03053	3.2
163.04539	1.5
167.01913	9.6
168.02078	0.9
169.03497	2.5
170.99495	0.7
171.01372	0.7
171.05011	1.8
172.97798	0.7
173.01524	1.2
173.02977	20.4
174.03107	1.2
175.04520	2.0
179.01889	4.6
179.04001	0.7
181.03531	1.3
184.04549	0.8
185.02962	35.7
186.03114	3.0
187.04514	4.0
191.03999	4.3
197.02956	14.6
198.03221	0.9
199.04552	0.7
203.04001	17.2
204.04137	1.7
209.03008	1.4
210.08640	0.6
214.98529	0.6
215.04030	7.5
221.05067	2.9
227.04024	6.9
228.04288	0.8
232.99696	0.9
233.05043	1.2
239.03844	1.2
245.05077	100.0
246.05267	7.6
257.05093	5.2
263.00571	1.0
263.06122	25.1
264.06238	1.9
275.06119	13.0
276.06238	0.9
281.01904	1.0
293.07178	3.2
305.01761	1.1
305.07196	9.3
323.03009	1.2
335.08255	2.4
365.09274	5.5
383.10303	0.7
425.05908	5.2
425.11017	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95310	0.5
57.36543	0.6
61.31175	0.6
69.98679	2.1
74.00152	0.6
82.99873	2.4
85.27383	0.6
86.99326	0.9
94.99841	1.0
97.02889	1.4
101.00881	15.9
101.01555	0.8
109.02884	1.0
113.00889	2.5
119.01922	26.2
120.02025	1.2
121.09003	0.7
126.26528	0.8
126.85776	0.8
127.02444	2.1
129.03850	0.6
131.01920	10.2
137.02983	1.8
139.02382	1.8
143.01903	36.4
144.02020	2.2
145.03471	11.7
149.02969	1.5
155.01886	13.6
156.01985	0.9
157.03471	6.3
161.02963	55.9
162.03078	2.2
167.01915	9.7
168.01941	0.8
169.03474	2.8
171.05029	2.3
173.02966	20.7
174.03046	1.1
175.04524	1.7
179.01888	3.6
179.03955	0.9
180.02071	0.7
185.02972	35.2
186.03049	1.7
187.04544	4.1
189.06082	0.9
191.04019	5.1
197.02965	13.1
198.03178	0.8
199.04553	0.9
203.04018	15.6
204.04211	1.0
209.02959	1.2
215.04013	9.8
221.05104	2.3
227.04016	8.2
233.05164	1.4
245.05081	100.0
246.05278	5.5
257.05124	5.0
263.06137	25.3
264.06287	1.8
275.06128	12.0
286.07697	1.3
293.07144	3.7
305.07126	7.1
317.07269	0.8
335.08270	3.1
346.76349	0.7
365.09344	4.4
425.06644	7.4
425.10715	1.2
426.07303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1415
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
53.40291	0.2
55.67287	0.4
59.16762	0.2
59.97854	0.2
67.37464	0.2
69.06109	1.6
69.06509	0.6
77.43671	0.2
86.09670	0.3
86.34252	0.2
98.06269	0.3
109.93121	0.2
123.22014	0.3
136.07681	0.3
159.18307	0.3
201.51616	0.2
202.42212	0.2
293.10025	1.9
299.04446	0.6
381.16336	0.3
425.14148	100.0
426.08942	0.3
426.14447	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
56.05024	0.4
70.06583	0.6
70.21541	1.0
72.08151	0.3
78.32827	0.3
90.94236	0.3
106.60631	0.3
110.07189	0.5
120.08100	0.5
128.84976	0.3
171.81259	0.3
185.04219	2.5
187.03677	12.7
188.04413	2.5
202.10817	0.3
248.97292	0.3
258.06915	0.3
262.08127	0.7
263.08911	12.1
264.09219	0.7
296.15738	0.3
322.72659	0.3
323.41470	0.3
350.09763	4.9
351.10507	0.5
425.14191	100.0
426.14487	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	425.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15263	2.8
55.01857	2.8
56.96572	6.8
57.78787	2.4
59.05055	2.7
67.05498	7.6
69.03461	2.9
69.09918	25.9
70.06572	5.0
71.04980	11.6
79.05487	4.5
81.07066	18.0
85.02884	4.5
85.06534	7.5
86.09704	3.6
91.05475	4.5
93.07044	6.7
95.04977	11.5
97.06499	3.3
98.97573	8.4
105.07031	7.3
109.06523	8.1
113.06037	3.1
117.06943	4.1
120.08044	2.8
121.06495	2.7
127.07511	4.2
131.08556	6.4
135.08092	2.9
136.07603	3.1
137.05957	5.3
138.09161	4.9
139.00655	3.0
141.12718	3.1
145.10114	11.4
151.07526	4.2
158.21437	2.8
166.08664	6.4
173.09621	3.5
179.03766	9.8
187.11232	3.9
191.10652	3.6
197.04927	9.6
215.05934	4.3
219.01767	5.2
223.06538	2.7
237.02841	7.3
263.09546	3.6
279.19977	3.0
281.03311	2.8
281.10580	3.7
298.19824	3.0
299.04282	5.5
343.41800	3.3
388.10675	3.3
407.13339	3.2
425.08246	32.0
425.15161	100.0
426.16058	8.8
443.15891	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	425.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
55.01850	4.2
55.05497	4.1
67.05494	10.7
69.03424	8.4
70.06599	6.7
71.31313	6.7
71.72816	3.2
79.05489	8.6
80.74755	3.3
81.07072	8.2
83.04954	4.6
85.02901	7.4
85.06534	7.2
93.07022	10.2
95.04942	5.8
95.08584	5.2
97.02858	4.3
98.97589	23.4
99.72992	3.7
105.01892	3.8
105.07034	8.5
106.13033	3.8
107.08606	9.4
109.02909	4.2
109.06473	5.7
109.10154	4.5
111.04463	3.4
116.98637	5.2
119.08532	5.4
121.10132	4.8
123.49043	3.8
129.07008	4.4
131.08577	4.2
136.07585	14.0
138.09142	10.6
146.56721	3.6
158.99644	4.9
159.11728	5.6
164.07080	17.9
172.28986	3.3
173.60616	3.5
177.00557	3.8
249.15848	4.1
292.12634	3.8
323.11627	8.7
334.81232	4.1
425.15997	100.0
425.30444	5.7
426.16196	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	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.0
67.05507	6.0
69.03418	1.1
69.07079	5.2
69.83421	3.0
72.00887	0.8
74.12128	0.8
74.21072	0.7
76.79740	0.8
79.05490	2.7
81.07059	13.1
83.08614	1.8
83.90604	0.7
91.05469	2.9
93.07048	5.3
95.04966	1.4
95.08611	8.8
101.00866	1.0
105.07040	4.1
107.08599	4.5
109.06493	1.0
109.10139	5.0
117.07039	1.0
119.01951	1.1
119.08585	4.8
121.10181	4.0
123.11716	2.6
129.07053	0.9
131.08565	2.2
133.10149	3.4
135.08072	0.8
135.11679	2.0
137.09634	3.9
137.13240	1.8
139.76469	0.9
143.08516	1.2
145.10133	1.9
147.11694	2.2
149.09604	1.9
149.13379	1.1
151.07571	0.8
157.10074	0.9
159.11719	1.9
161.02931	1.2
163.14812	0.8
165.09122	39.8
166.09457	0.9
173.13251	2.3
175.11313	0.8
175.14812	1.0
177.09135	1.3
185.13391	0.8
187.00908	0.9
187.14813	2.0
189.09151	0.8
189.12779	1.0
189.16354	1.1
191.10666	1.3
199.14917	0.9
201.03749	2.0
203.05299	2.2
203.10651	1.0
203.17912	1.1
205.12172	2.1
217.12289	1.2
217.19437	0.9
227.05209	1.3
243.04785	13.7
245.06358	9.8
271.04300	2.7
287.03741	100.0
288.03946	3.6
289.05298	93.4
290.05527	4.5
381.18683	5.3
407.33536	1.2
425.17816	71.4
425.24716	5.1
425.34402	4.1
426.18185	6.9
447.02057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14917	2.1
56.78194	2.2
66.97569	2.0
67.05508	2.6
69.07076	2.5
70.61630	4.3
70.61956	2.7
79.05487	3.2
81.07048	12.0
95.08615	6.2
107.08611	2.8
109.10175	3.5
112.40847	2.0
121.10139	2.8
128.12923	1.9
133.10164	2.5
135.11693	2.6
137.09612	2.4
143.80591	2.1
157.10309	2.3
165.09119	23.3
205.12325	3.0
235.28886	2.0
243.04718	13.8
245.06364	9.5
271.04175	2.4
287.03748	82.3
289.05304	100.0
290.05655	4.0
381.18906	5.0
392.41345	2.2
399.49390	2.7
425.17807	68.9
425.24115	4.4
425.34113	2.5
426.17953	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	425.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93663	0.4
53.03933	0.8
53.66895	0.3
53.88687	0.4
55.05516	0.5
59.37055	0.3
59.56292	0.3
63.31344	0.3
65.97406	0.3
66.25137	0.3
66.59681	0.3
67.05491	0.8
69.03436	0.6
69.07068	0.4
79.05492	0.8
81.03391	0.4
81.07055	1.4
83.08617	0.4
85.02892	0.9
89.88760	0.3
91.05467	1.9
93.07056	2.3
94.06562	0.6
95.04979	0.8
95.08582	1.1
96.08128	1.2
97.06525	0.4
105.07023	0.9
107.08601	0.5
108.08131	1.0
109.06529	0.6
119.08561	0.5
120.08091	0.4
122.06035	2.6
123.06810	1.5
124.07597	10.3
125.09666	0.4
126.05513	0.6
126.09162	5.2
131.08559	0.8
136.07576	64.2
137.07938	2.1
138.09138	48.3
139.09460	1.2
140.07042	1.6
140.10706	0.4
150.05502	0.5
152.07069	18.6
153.07365	0.4
164.07066	100.0
165.07408	4.2
166.08586	0.8
170.08180	0.5
177.09126	0.5
182.08127	2.2
201.09027	0.4
236.09157	1.9
268.08231	0.4
270.09619	1.8
282.09717	14.2
283.10083	0.6
289.12415	0.7
289.15466	9.0
300.10492	0.8
307.16440	2.0
361.17502	0.6
381.10452	0.6
381.15054	0.6
407.18143	9.8
408.18204	0.7
425.09103	0.6
425.13931	1.2
425.18533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.07084	0.5
67.05498	1.4
69.03439	0.6
69.07075	2.1
71.05002	0.5
78.28907	0.4
79.05488	1.2
81.03397	0.4
81.07066	3.2
83.08611	0.4
91.05492	0.8
93.06548	0.4
93.07037	2.3
95.04980	0.4
95.08610	3.8
97.02909	0.6
97.10159	0.7
100.11222	0.4
105.07059	2.0
107.08588	2.6
109.10167	2.4
117.07047	0.5
119.08604	2.3
121.06502	0.5
121.10132	1.5
123.11710	0.7
131.08591	1.3
133.10153	1.5
135.11697	1.0
137.09650	0.8
143.08536	0.5
145.10121	1.4
147.08054	0.5
147.11734	1.1
149.13235	0.9
157.10104	0.7
159.11682	1.1
161.13301	0.6
165.09126	2.7
171.11746	0.5
173.13242	0.5
175.11092	0.5
175.14839	0.7
185.13318	0.6
187.14938	1.1
189.09195	0.6
201.16386	0.7
202.03204	0.4
203.10690	0.5
203.14314	1.1
205.12225	0.5
205.15935	0.6
425.25125	100.0
426.25436	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	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95490	20.7
55.51374	17.1
57.40248	16.7
69.44931	17.5
71.31618	22.7
72.17214	18.6
76.70160	16.2
83.63911	16.7
96.27829	18.7
98.23396	22.8
104.57933	18.0
126.02913	22.5
136.06172	17.2
139.03645	42.5
149.91853	19.5
153.01607	100.0
172.54950	18.5
182.52000	17.1
230.32703	17.0
251.12535	18.3
269.13611	95.2
285.66241	19.7
295.15091	27.2
309.16663	44.8
337.16498	42.8
349.91443	26.7
407.24066	91.9
425.14758	70.4
425.24896	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
67.05505	3.6
69.03437	1.7
69.07069	6.1
69.87075	2.2
69.87457	1.9
71.04988	1.2
75.84886	1.1
79.05492	2.6
81.07084	3.3
81.39814	1.1
91.05492	4.1
93.07059	5.8
95.04961	1.6
95.08619	8.7
105.06999	6.5
107.08595	8.2
109.06544	2.0
109.10159	6.2
111.08068	1.4
117.07027	1.1
119.08572	7.6
120.08919	1.4
121.10168	6.2
123.08138	1.4
123.11711	3.8
126.02910	4.9
128.06232	1.4
131.08542	2.1
133.10117	6.3
135.08072	1.6
135.11726	5.0
137.09639	1.6
139.03658	5.6
143.08585	3.9
145.10138	4.2
147.08075	1.3
147.11708	4.7
149.09616	2.1
149.13271	2.5
151.07527	2.0
157.10141	2.1
159.08069	2.2
159.11739	2.7
161.09610	1.3
161.13275	2.3
162.09789	1.3
163.11104	1.4
169.43915	1.1
171.11700	2.7
173.09628	1.2
173.13303	2.1
175.11165	2.1
175.14867	2.7
179.10591	1.8
185.13312	2.2
187.11174	1.4
187.14839	4.7
189.12720	2.0
189.16382	2.7
199.11037	1.3
199.14828	1.5
201.16412	1.6
203.14397	1.6
207.09921	4.5
220.00508	1.2
239.12538	1.5
251.12541	3.5
263.16241	1.6
307.15234	2.8
309.16663	5.6
334.87323	1.1
354.06454	1.1
363.25211	2.1
367.15201	1.1
376.74045	1.2
379.25360	1.9
391.24545	100.0
392.24762	5.9
407.24069	45.2
407.29047	2.5
408.24509	4.5
425.26675	5.1
425.30814	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.07084	0.5
67.05498	1.4
69.03439	0.6
69.07075	2.1
71.05002	0.5
78.28907	0.4
79.05488	1.2
81.03397	0.4
81.07066	3.2
83.08611	0.4
91.05492	0.8
93.06548	0.4
93.07037	2.3
95.04980	0.4
95.08610	3.8
97.02909	0.6
97.10159	0.7
100.11222	0.4
105.07059	2.0
107.08588	2.6
109.10167	2.4
117.07047	0.5
119.08604	2.3
121.06502	0.5
121.10132	1.5
123.11710	0.7
131.08591	1.3
133.10153	1.5
135.11697	1.0
137.09650	0.8
143.08536	0.5
145.10121	1.4
147.08054	0.5
147.11734	1.1
149.13235	0.9
157.10104	0.7
159.11682	1.1
161.13301	0.6
165.09126	2.7
171.11746	0.5
173.13242	0.5
175.11092	0.5
175.14839	0.7
185.13318	0.6
187.14938	1.1
189.09195	0.6
201.16386	0.7
202.03204	0.4
203.10690	0.5
203.14314	1.1
205.12225	0.5
205.15935	0.6
425.25125	100.0
426.25436	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03841	0.4
53.04067	0.3
55.05361	2.4
55.05661	2.5
57.06918	0.9
57.07225	0.8
59.04883	0.3
59.05147	0.4
64.43452	0.3
65.03790	0.6
67.05328	3.7
67.05735	2.3
69.03252	1.1
69.03664	0.7
69.07320	6.0
71.04855	0.5
71.05231	0.4
77.03805	0.3
77.16093	0.2
79.05302	3.4
79.05826	1.4
81.06864	11.7
81.07404	4.5
83.04823	0.6
83.05236	0.3
83.08422	2.3
83.08971	0.7
85.06377	0.7
91.05282	3.6
91.05916	1.0
92.50266	0.2
93.06839	6.6
93.07497	1.7
95.04758	1.0
95.08396	19.0
95.09078	4.6
96.08802	0.5
97.06319	1.1
97.06987	0.6
97.09959	1.9
97.10632	0.5
97.47610	0.3
99.07872	0.8
99.08452	0.3
103.05305	0.4
105.06817	7.8
105.07610	1.6
107.08373	12.9
107.09180	2.3
107.09614	0.5
109.06297	7.6
109.07114	1.3
109.09935	13.1
109.10769	2.3
110.10291	0.4
111.07849	1.5
111.11503	6.8
111.12358	1.1
113.09447	0.3
115.05290	0.4
117.06780	1.3
119.08349	22.8
119.09297	3.2
119.09741	0.8
120.08713	0.9
120.09546	0.3
121.06264	1.1
121.09912	11.6
121.10885	1.6
123.07841	8.6
123.08824	1.1
123.11476	8.2
123.12464	1.1
125.09388	1.0
129.06775	0.4
130.40044	0.3
131.08334	3.3
133.09891	12.3
133.11014	1.4
134.10271	0.3
135.07813	17.6
135.08948	1.8
135.11458	7.9
135.12598	0.8
136.08156	0.6
137.09383	3.4
137.13010	4.1
139.11006	0.5
142.07613	0.4
143.08311	1.9
144.09169	0.6
145.09888	10.2
145.11147	0.9
146.10356	0.3
147.07849	0.3
147.11443	7.8
147.12723	0.7
149.09387	2.2
149.13008	4.6
150.10225	0.5
151.10945	2.9
151.14583	3.5
153.12569	0.3
155.08344	0.4
156.09201	0.6
157.09892	3.9
158.10625	1.0
159.11453	11.9
159.12892	0.7
160.11909	0.5
161.09346	1.7
161.13016	5.5
162.13466	0.5
163.10931	3.6
163.14586	3.9
165.12521	1.8
167.14133	0.3
168.48183	0.3
169.09975	0.6
170.10751	0.5
171.11679	3.0
172.12250	0.6
173.09406	0.7
173.13261	7.7
175.10934	1.9
175.14835	3.9
177.12747	3.6
177.16374	4.2
178.16637	0.3
179.14053	1.1
180.14372	0.3
181.09929	0.3
183.11458	1.2
184.12256	0.3
185.13237	2.6
186.13806	0.3
187.10974	0.8
187.14818	8.0
188.15240	0.9
189.12492	1.2
189.16380	4.1
190.16611	0.4
191.14316	14.1
191.17918	2.7
192.14481	0.5
193.15649	1.1
195.11386	0.4
197.13257	1.6
199.14828	3.3
201.12476	1.1
201.16382	7.6
202.16586	0.6
203.14322	3.8
203.17961	3.4
204.18182	0.3
205.15897	5.1
205.19434	1.5
206.16655	12.2
207.17323	2.2
209.13091	0.4
211.14589	0.9
213.16312	2.1
215.14365	4.0
215.17900	2.3
217.15924	3.1
217.19496	1.5
219.17459	7.4
220.17508	0.4
221.15268	0.3
221.18997	2.8
223.14603	0.4
225.16196	0.7
227.14209	0.4
227.17706	1.3
228.18518	0.3
229.15779	1.5
229.19374	1.3
231.17451	2.0
231.20901	1.0
233.19011	3.6
237.16202	1.0
239.17830	1.0
241.15729	0.6
241.19308	0.8
243.17375	0.5
243.21019	1.6
245.18790	0.6
245.22462	0.6
247.20570	13.7
248.16931	0.3
248.20721	1.0
251.17761	1.0
255.17296	0.6
255.20872	1.0
257.18716	0.9
259.20386	0.8
259.24060	0.3
261.22110	2.1
263.23566	0.3
265.19348	0.4
267.21002	0.5
269.18924	1.1
269.22391	0.9
271.20367	0.9
271.23627	0.3
273.22119	1.4
275.23532	1.3
279.20871	1.0
281.22586	0.6
283.20438	0.7
283.23792	0.3
285.22031	0.6
287.23535	1.2
293.22455	0.5
295.23996	0.5
297.22067	3.4
299.23523	1.2
301.25073	0.4
311.23462	0.8
313.25116	1.0
321.25552	0.6
323.27231	0.6
325.25189	0.5
327.26682	0.8
331.26315	0.3
333.25934	0.4
334.28595	0.3
337.25317	0.5
339.26776	0.4
342.12549	0.3
349.28867	0.7
351.26749	0.4
365.28299	0.9
365.32068	0.8
379.29922	0.7
381.31564	0.4
383.33041	2.3
389.32037	2.6
397.34851	0.4
407.33081	40.4
408.33435	5.0
425.34171	100.0
426.34518	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05513	27.3
57.07066	17.1
67.05505	37.5
69.05829	90.8
69.07065	48.5
70.26343	9.8
79.05487	27.8
81.07063	71.1
83.08612	24.3
85.06533	20.2
89.06034	11.1
91.05488	19.7
91.56508	10.7
93.07063	56.0
93.07561	10.9
94.87759	9.3
95.08598	85.7
97.50467	9.3
99.89802	8.9
102.52166	9.5
105.07032	41.6
107.08605	72.8
109.10151	51.6
119.08583	50.3
121.10133	32.4
123.11744	12.5
131.08531	17.2
133.10110	46.9
135.11713	27.8
137.13283	10.5
140.61226	9.6
143.08549	10.2
145.10129	27.8
147.11705	33.5
149.13257	23.9
157.10101	13.5
159.11713	23.9
161.13252	21.3
163.14853	12.2
173.13245	17.8
175.14832	23.1
176.17235	10.9
187.14882	16.8
189.16283	12.4
191.17958	21.7
199.14925	18.1
201.16440	12.9
233.15300	26.3
240.15314	9.8
280.72772	11.3
287.20035	14.4
343.12704	11.1
365.32016	13.3
407.33145	21.2
425.21317	13.6
425.33963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.01889	0.9
55.05514	7.6
56.03147	0.6
57.03432	1.1
57.07072	3.6
65.03956	1.6
67.05507	8.7
67.32967	0.8
69.03443	1.1
69.07074	10.7
69.07426	1.2
71.05000	1.2
71.08627	1.2
72.52401	0.7
79.05495	9.2
81.07059	18.7
82.07382	0.9
83.04973	1.2
83.08619	5.9
85.06527	4.3
88.98450	0.7
91.05482	6.2
93.07043	15.1
95.05000	1.7
95.08615	24.3
96.08965	1.0
97.06552	1.5
97.10197	2.6
99.08084	1.6
105.07038	13.1
106.07374	0.7
107.04970	1.0
107.08597	20.5
108.08925	1.3
109.06531	4.6
109.10153	18.5
109.62530	0.7
111.08110	2.5
111.11768	1.2
113.00053	0.9
113.73636	0.7
117.07041	2.8
119.08576	17.4
120.08945	1.4
121.06529	2.7
121.10147	18.1
122.10477	1.1
123.08089	8.8
123.11707	12.0
125.09659	0.7
131.08563	5.6
133.06506	5.4
133.10120	12.1
135.08089	2.8
135.11693	11.0
136.12164	0.7
137.09677	2.1
137.13240	5.2
141.06996	0.7
142.07803	1.0
143.08612	2.2
145.06589	0.8
145.10121	7.9
147.08083	2.3
147.11708	8.6
149.09663	2.4
149.13269	6.4
150.13618	0.7
151.11215	1.6
151.14877	1.2
155.08572	1.0
156.09370	1.0
157.10149	4.3
158.10968	0.9
159.08145	1.1
159.11676	8.0
161.09637	3.7
161.13260	8.3
161.14427	1.0
163.11267	2.2
163.14897	2.7
165.12816	1.2
167.14383	0.8
169.10156	2.1
171.11685	4.8
173.09706	1.7
173.13242	6.6
173.14337	0.6
174.13763	0.8
175.11200	11.5
175.14848	5.3
177.12801	2.0
177.16420	2.9
179.14407	1.1
181.10248	1.0
181.12111	0.7
183.11726	2.1
185.13283	3.4
187.11237	1.0
187.14804	6.4
189.12813	5.7
189.16429	6.2
191.14340	1.8
191.17929	3.2
193.15930	1.1
195.11757	0.8
197.13335	2.3
199.14905	2.4
201.12776	1.3
201.16397	4.2
203.14285	7.1
203.17999	1.6
205.12314	1.0
205.15932	1.7
205.19623	1.4
211.14850	1.9
213.12888	0.8
213.16435	2.6
215.14435	1.4
215.18019	3.1
217.15884	15.1
217.19569	2.1
218.16315	1.2
219.17577	2.1
221.19080	0.7
223.14951	1.4
227.14417	1.1
227.18066	2.4
229.16016	1.6
229.19588	1.9
231.17574	1.7
233.15413	1.5
234.15721	1.5
239.17937	1.1
241.19629	1.7
243.17599	1.2
243.21234	1.9
245.19118	1.1
247.20639	2.1
251.18156	0.8
253.19572	1.1
255.21126	1.7
257.19043	1.0
259.20728	1.3
269.18915	1.2
269.22781	1.8
271.20517	1.5
289.21762	1.0
337.25150	0.9
364.53372	0.8
365.32181	0.9
379.33954	0.9
382.28598	1.4
383.29330	0.9
389.31839	1.5
407.33307	10.9
408.33597	1.3
425.34308	100.0
426.34644	10.5
426.46515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05507	25.3
57.07080	10.4
67.05505	17.5
69.07069	32.9
69.14386	13.3
70.81206	1.8
71.08624	5.0
72.80340	1.8
79.05489	16.3
81.07056	44.4
83.08617	45.0
85.10224	2.8
91.05485	11.4
93.07053	34.3
95.04978	2.5
95.08611	45.0
97.06518	2.9
97.10171	9.1
97.39246	1.7
98.22604	2.8
102.39436	2.0
105.07024	20.3
107.08595	40.1
108.08934	2.8
109.06527	6.6
109.10160	29.7
111.08098	1.9
111.11681	3.3
117.07025	4.9
119.08582	17.3
121.06479	12.4
121.10145	29.7
123.08072	6.7
123.11717	11.8
131.08572	8.7
133.10080	10.3
135.08064	14.5
135.11693	16.4
137.09633	2.6
137.13275	6.1
143.08594	5.6
145.10144	11.3
147.08090	3.5
147.11694	12.0
149.09572	2.2
149.13287	9.0
155.08566	3.2
157.10138	6.9
159.08049	7.7
159.11708	8.4
161.09627	5.4
161.13263	6.3
163.14827	4.4
165.16446	3.8
169.10141	4.5
171.11716	6.0
173.09613	2.2
173.13278	6.1
175.11160	3.9
175.14827	4.4
177.16389	24.3
179.17960	4.3
183.11671	4.4
185.13248	5.7
187.11198	3.5
187.14903	5.5
189.12755	3.2
189.16342	2.7
191.17964	9.9
193.19582	4.9
197.13255	5.2
199.14784	3.0
199.16533	1.8
201.12761	7.0
201.16399	5.6
203.14252	2.3
203.18016	3.2
211.14822	5.4
213.16338	3.7
215.14288	6.5
217.19603	3.9
219.17287	3.1
221.13414	2.5
221.15413	7.5
225.16249	2.9
229.15929	6.4
231.17381	2.1
233.15381	5.3
235.16928	5.1
241.15889	5.2
245.15503	3.4
247.16925	20.8
249.16238	2.5
249.18520	4.4
253.19772	2.1
259.17020	9.6
261.18430	2.9
269.19028	3.5
273.18497	7.0
285.18454	3.3
285.21939	2.2
287.16821	2.3
287.20035	41.0
288.20276	3.7
301.21536	2.5
309.22177	6.0
323.23648	5.1
327.23251	3.5
341.24597	3.7
365.10406	4.0
389.79648	1.9
407.33011	17.4
408.33557	3.4
420.50464	2.2
425.18845	6.7
425.34100	100.0
426.34457	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	425.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
53.63209	2.3
55.05516	67.1
57.07080	21.2
67.05510	30.5
69.07072	79.0
70.47470	3.8
70.47803	3.7
71.08617	7.5
79.05491	21.3
81.07061	60.2
82.07391	3.2
83.08627	100.0
86.09717	10.0
89.05986	2.6
91.05475	20.1
93.07052	42.1
95.08615	63.2
97.06561	6.0
97.10183	21.6
105.07036	29.0
107.08601	49.0
108.08922	2.6
109.06547	4.8
109.10161	53.1
111.08085	3.7
111.11697	3.6
117.06995	4.1
119.08585	32.7
121.06516	3.5
121.10139	41.9
123.08074	5.1
123.11716	23.2
125.09601	13.9
130.71175	2.2
131.08597	16.4
133.10138	21.3
134.30846	2.0
135.11693	33.7
137.09637	5.0
137.13274	10.7
137.55908	2.3
139.14798	3.0
143.08566	5.5
145.10118	18.7
147.08102	2.9
147.11702	26.0
149.13263	19.4
151.14832	2.6
157.10132	8.4
159.11719	16.1
161.09598	4.7
161.13243	16.5
163.11218	4.7
163.14821	10.9
171.07983	2.3
171.11694	4.2
172.47330	2.5
173.09619	3.7
173.13271	10.8
175.11227	3.7
175.14859	11.1
177.16394	20.7
183.11491	2.6
185.13312	7.0
187.14809	10.6
189.16406	9.1
191.17979	7.7
197.13278	3.5
199.14738	4.0
201.12701	5.2
201.16426	9.0
203.14230	2.6
203.17909	14.5
209.13245	3.4
211.14890	2.9
213.16444	3.3
215.14326	7.3
215.17845	2.9
217.19589	7.1
227.14301	7.4
227.17984	6.2
229.15784	2.5
229.19508	6.5
231.21130	6.4
251.18007	5.1
253.19783	2.5
255.21141	2.5
267.17377	3.1
269.19016	21.4
407.32422	5.4
407.36761	7.6
424.24792	2.7
425.21469	3.7
425.34039	24.7
425.38147	15.8
444.12531	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3415
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03940	1.9
55.05508	7.8
57.07074	3.9
65.03935	0.9
67.05177	1.0
67.05508	14.6
68.05840	0.6
68.68507	0.5
69.03416	1.4
69.07068	17.6
69.34703	4.3
70.33243	0.6
71.04971	1.0
71.08630	1.0
79.05494	15.6
80.05828	0.8
81.07059	30.4
82.07377	1.3
83.05000	0.8
83.08628	6.5
85.06551	1.0
89.05997	0.8
91.05476	10.7
92.23912	0.7
93.07044	24.1
94.07397	1.3
95.04974	2.0
95.08607	47.2
95.93363	0.7
96.08932	2.5
97.06512	1.3
97.10165	2.9
98.22569	0.8
99.08116	1.0
103.05481	1.4
105.07028	24.5
106.07370	1.9
107.04945	0.9
107.08595	34.0
108.08921	2.0
109.06506	2.3
109.10156	30.7
110.10493	2.3
111.08089	3.0
111.11714	3.8
117.07016	2.1
119.08578	16.8
120.08909	2.4
121.06512	2.1
121.10145	100.0
122.06843	1.2
122.10464	3.8
123.08070	5.5
123.11712	23.0
125.05986	1.2
125.09619	1.4
131.08572	5.0
133.07622	1.4
133.10132	15.2
134.10454	3.7
135.08060	2.6
135.10732	0.7
135.11699	15.2
136.12010	1.1
137.09610	0.7
137.13278	9.0
137.76462	0.7
139.07541	2.0
139.11172	2.1
143.08560	2.1
145.10144	7.7
146.10434	1.0
147.08058	0.9
147.11693	9.9
148.12044	2.9
149.09618	34.3
149.12300	0.9
149.13287	9.3
150.09964	1.3
150.13571	1.1
151.11191	3.9
151.14825	2.5
153.09065	1.4
155.08609	0.9
156.09314	0.8
157.10158	3.1
158.10806	0.7
159.11717	7.8
160.12108	0.9
161.09650	1.2
161.13284	7.2
162.13620	1.1
163.11191	1.3
163.14859	6.3
165.12714	0.6
165.16388	0.8
167.08607	0.7
167.10663	13.6
169.10031	0.9
171.11641	3.2
172.12459	1.0
173.09645	1.0
173.13303	7.9
174.13737	0.6
175.11160	1.2
175.14848	6.3
176.15131	0.8
177.09148	0.7
177.12698	1.3
177.16383	6.6
179.14226	0.6
179.17917	1.0
181.12129	0.8
183.11719	1.3
185.13223	2.5
187.14801	5.5
189.12801	1.3
189.16371	5.4
190.16847	1.2
191.14337	1.1
191.18015	5.4
192.18262	1.3
193.15823	0.7
197.13213	1.4
199.14877	2.1
201.12662	0.9
201.16490	3.9
202.16725	1.1
203.14331	1.6
203.18034	4.8
204.18289	1.0
205.12222	1.2
205.15965	0.7
205.19493	3.0
207.13828	1.8
209.13309	0.7
211.14905	0.8
213.16440	2.3
215.14438	0.9
215.18022	2.8
216.18262	1.1
217.15927	1.3
217.19493	4.6
219.13832	1.7
219.17349	1.2
219.20978	1.7
221.15431	1.4
221.18861	0.7
227.18024	1.6
229.19507	2.0
233.15463	1.1
233.18922	0.8
234.15691	2.2
241.19560	2.2
243.17377	0.9
243.21164	1.4
245.22572	0.8
247.16928	1.5
255.17395	0.6
255.21053	1.8
257.22614	1.7
259.24176	3.4
261.18451	2.3
261.22000	0.6
269.19119	0.8
269.22488	1.1
275.19983	1.6
287.19989	2.9
289.21695	0.7
301.21634	2.4
315.23203	1.1
329.24634	1.2
341.24771	0.7
379.33521	2.0
381.31451	1.1
397.34650	6.2
407.33084	4.1
425.18643	0.9
425.34143	38.1
426.34662	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3776
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.18910	3.2
53.03953	3.5
55.05507	14.7
67.05503	41.0
69.07073	24.3
79.05507	15.9
81.07056	42.7
83.08615	10.0
84.52975	3.2
85.06553	9.7
89.57331	3.1
91.05493	13.2
93.07029	22.9
95.08611	45.5
97.10168	5.2
105.07037	26.8
107.08590	35.6
109.06499	3.3
109.10159	100.0
109.10912	4.9
110.70657	3.7
111.11707	5.7
117.06983	3.5
119.08572	25.3
121.10159	28.4
123.11711	16.5
125.02086	3.2
131.08568	6.2
133.10133	22.4
135.11690	21.4
137.13278	10.2
143.08591	3.6
145.10136	9.6
147.11703	20.4
149.13278	9.9
159.11728	15.0
161.13274	18.3
163.14827	6.1
173.13322	10.2
175.14874	7.1
177.16443	5.3
187.14865	7.0
189.16408	16.1
191.17986	10.4
201.16403	7.8
203.17906	17.8
205.15929	5.0
215.17931	5.0
217.19542	15.6
229.19566	6.4
245.22704	3.9
407.32782	4.8
407.37326	4.4
425.38474	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54924	0.9
53.03943	3.1
55.01871	1.4
55.05518	22.4
57.07073	7.1
65.03924	2.3
67.05511	32.4
69.03435	3.0
69.07076	31.2
69.66304	4.5
71.05000	2.8
71.08633	2.0
76.41880	0.9
79.05502	25.8
81.07063	77.9
82.07419	1.6
83.04990	2.2
83.08623	11.9
85.06559	1.9
91.05483	22.4
93.00321	1.0
93.07052	58.7
94.04684	1.0
94.07387	2.4
95.04970	4.7
95.08612	100.0
96.08940	2.7
97.06515	6.9
97.10175	7.3
99.08105	2.3
105.04520	2.0
105.07040	42.9
106.07356	2.0
107.08598	79.1
108.08939	2.5
109.06546	5.8
109.10163	74.1
110.10518	2.1
110.54236	1.1
110.54993	1.0
111.08104	3.8
111.11726	4.2
116.59328	1.0
117.07032	4.7
119.08586	56.7
120.08910	1.8
121.06511	1.1
121.10151	62.6
122.10493	2.6
123.08089	5.3
123.11709	33.7
125.09639	6.1
127.11179	1.5
129.07016	2.2
131.08557	10.1
133.10141	38.5
134.10440	1.5
135.08054	4.0
135.11702	49.1
136.12029	1.4
137.09665	2.4
137.13258	18.0
142.07712	1.1
143.08585	4.6
144.09329	2.5
145.10143	18.7
147.08101	1.4
147.11696	36.1
148.12021	1.6
149.09607	2.0
149.13269	31.1
149.50883	1.0
151.11182	3.2
151.14830	3.8
155.08623	1.2
157.10129	6.5
159.11711	22.1
160.12178	1.2
161.09618	2.7
161.13271	29.6
162.13533	1.9
163.11160	2.2
163.14847	22.1
164.79025	1.2
165.12785	2.8
168.75769	1.1
169.10104	2.5
171.11742	5.2
173.13310	10.1
175.11159	1.6
175.14839	15.4
177.12737	2.9
177.16380	9.1
179.14302	5.6
179.17867	1.1
183.11719	2.6
185.13222	5.7
187.14816	12.5
189.12761	1.7
189.16408	20.8
191.17961	34.8
192.18315	2.1
193.15909	1.2
197.13275	2.2
199.14873	3.4
201.12756	1.3
201.16377	12.7
202.16740	1.2
203.14281	2.9
203.17961	24.8
204.18291	1.5
205.15826	3.2
205.19521	11.8
207.17429	3.7
211.14905	1.5
213.16335	3.1
215.17972	10.1
217.15987	2.1
217.19511	26.4
218.19868	1.5
219.13838	1.4
219.17487	3.0
219.21078	3.3
221.19012	2.2
227.17953	3.6
229.15921	1.7
229.19557	3.1
231.17548	1.7
231.21162	2.5
233.15390	1.7
233.19093	3.6
235.20659	1.2
241.19499	2.7
243.21117	2.5
245.22708	3.9
255.21078	3.6
257.22635	4.3
259.24219	1.3
269.19025	1.2
269.22638	2.7
271.24118	2.0
283.23819	1.4
287.23645	1.5
297.25723	1.6
315.19763	1.2
383.84457	1.1
407.28857	1.8
407.37018	12.9
408.37103	1.7
425.29395	6.9
425.38495	29.5
426.30652	1.4
426.38153	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.05264	2.0
55.05513	20.5
56.02155	1.1
57.07079	8.0
58.25637	1.3
62.18358	1.3
64.71687	1.4
65.03928	1.9
67.05171	2.4
67.05506	30.3
69.03419	2.9
69.07068	34.3
69.23717	3.1
69.24131	6.9
71.05013	2.9
71.08624	2.8
79.05495	23.5
81.07063	72.0
81.93079	1.3
83.04997	1.6
83.08623	17.4
84.83507	1.5
85.06547	2.6
91.05482	19.2
93.07051	55.2
94.07380	1.6
95.04989	3.2
95.08611	100.0
96.08948	5.2
97.06521	7.1
97.10174	10.7
99.08084	2.0
105.07036	46.0
106.07394	1.6
107.08599	78.1
108.08900	3.0
109.06510	5.0
109.10162	80.6
111.08079	4.3
111.11736	5.8
117.07019	5.5
119.08586	53.7
119.09445	2.4
120.08890	1.6
121.06516	2.8
121.10143	65.9
122.10440	1.4
123.08078	8.0
123.11711	40.6
125.09630	6.4
127.11192	5.4
129.06970	1.9
131.08595	12.5
133.10136	41.4
134.10544	1.5
135.08083	6.6
135.11702	53.5
136.12003	2.1
137.09634	3.7
137.13252	17.9
139.11192	2.3
142.07715	2.0
143.08574	5.2
145.10127	20.4
146.10449	1.7
147.08067	2.2
147.11690	33.3
148.12029	2.0
149.09618	3.3
149.13261	32.3
150.13617	1.6
151.07603	1.7
151.11171	4.4
151.14838	5.1
154.22107	1.4
155.08444	2.2
155.32486	1.7
157.10074	6.8
158.10800	1.9
159.11696	25.5
161.09679	2.6
161.13268	33.4
162.13559	1.8
163.11172	3.9
163.14836	19.6
165.09119	2.0
165.12756	4.3
165.16370	1.6
169.10191	1.7
171.11708	6.8
173.09563	1.7
173.13268	16.4
174.13785	1.3
175.11258	3.8
175.14836	19.6
177.12753	3.4
177.16389	14.1
179.14281	7.5
182.10817	2.2
183.11722	2.9
185.13264	6.5
187.14850	15.7
188.15349	1.6
189.12672	1.8
189.16405	25.2
190.16782	2.1
191.14302	2.3
191.17944	44.2
192.18391	1.9
197.13393	1.5
199.14877	5.2
201.12857	1.9
201.16393	19.5
203.14328	3.2
203.17946	27.8
204.18437	2.7
205.15895	5.2
205.19533	13.0
207.17435	7.6
213.16382	5.4
215.14456	1.5
215.17969	15.5
217.16031	2.1
217.19505	32.2
218.19775	1.9
219.14034	1.3
219.17482	6.4
219.21051	5.5
221.19070	3.0
223.14780	1.4
225.16443	1.7
227.17964	4.0
229.19516	6.2
231.17375	2.3
231.21025	2.6
233.15343	3.6
233.19037	6.1
235.20638	4.0
239.17874	1.6
241.19408	2.6
243.21124	3.9
245.19095	2.0
245.22595	4.3
255.21092	3.3
257.22668	4.3
267.21164	2.3
267.73666	1.6
269.22690	2.4
271.24118	3.1
275.23682	2.1
283.24063	2.3
285.22189	2.0
297.25806	1.6
315.26645	1.8
365.28186	2.0
379.30084	2.6
389.32178	2.1
407.28833	3.0
407.32629	4.1
407.37601	10.1
408.37610	2.4
422.99554	1.5
425.21442	2.9
425.30002	4.4
425.33264	18.5
425.37921	31.1
426.34036	3.9
426.38455	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.05515	15.8
56.90707	1.5
57.07078	7.9
59.04993	1.9
67.05510	33.4
69.03436	3.3
69.07072	35.5
69.31392	9.3
71.08656	3.9
79.05499	22.4
81.07064	74.2
81.16320	1.9
83.08630	16.5
85.06564	3.5
91.05498	21.4
93.07050	53.4
95.04974	3.5
95.08612	100.0
96.08927	4.7
97.06551	6.2
97.10172	8.0
99.08105	2.5
105.07037	42.5
106.07352	1.7
107.08601	80.8
109.06528	5.2
109.10162	68.7
110.10495	3.0
111.08102	7.8
111.11733	4.2
117.07034	3.7
119.08591	52.1
119.09453	2.9
120.08958	3.1
121.06525	3.1
121.10148	73.6
122.10493	2.6
123.08077	4.3
123.11717	38.0
125.06059	1.7
125.08794	2.0
125.09660	5.6
127.11176	3.2
131.08563	10.5
133.10129	43.1
134.10493	2.7
135.08063	4.4
135.11699	52.0
136.12032	2.1
137.06006	1.5
137.09641	3.2
137.13252	19.1
139.07506	2.0
139.11246	1.9
142.07758	2.9
143.08571	5.8
145.10118	22.5
147.11702	35.3
148.12068	2.7
149.09665	2.9
149.13264	32.1
151.11205	4.0
151.14842	4.3
153.12793	2.7
157.10110	10.1
159.08015	2.0
159.11710	24.1
161.09604	4.7
161.13260	32.7
162.13646	1.9
163.14844	19.2
164.15108	1.9
165.12759	2.7
169.10161	3.8
171.11711	6.8
173.09650	2.6
173.13300	13.5
175.11230	3.9
175.14839	15.6
177.16418	11.0
179.14349	6.0
183.11824	2.9
185.13225	3.8
187.14868	14.1
188.15176	1.9
189.16376	23.4
191.17953	34.1
197.13211	3.1
199.14830	4.7
201.12685	2.2
201.16354	14.2
202.16890	2.2
203.17955	27.0
204.18309	2.2
205.15927	4.5
205.19572	11.0
207.17484	5.9
209.13298	2.8
211.14929	2.2
213.16368	4.7
215.17958	11.9
216.35576	1.7
217.16127	1.9
217.19524	29.9
219.17484	4.6
219.21007	1.8
221.19159	1.8
223.14716	2.5
225.16307	2.6
227.18036	3.2
229.19595	4.2
231.21112	3.2
233.15567	2.6
233.19121	3.2
235.16771	2.1
241.15898	2.2
241.19588	2.1
243.21159	2.8
245.22633	3.7
255.21062	2.2
257.22598	4.8
259.24252	2.4
271.24295	2.1
283.24469	2.3
314.78989	1.8
317.76663	1.9
365.28296	2.7
379.30273	2.5
389.28729	1.9
407.28851	3.2
407.37466	8.6
425.25531	1.7
425.30112	7.7
425.38858	26.6
426.38812	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03951	4.4
55.05513	28.8
56.07013	2.3
57.07076	13.6
63.43981	2.7
67.05507	40.0
69.07069	68.0
69.07418	5.3
71.05007	7.7
71.08644	3.4
79.05493	27.3
81.07062	100.0
83.04952	5.6
83.08622	41.2
85.06568	3.4
91.05483	25.9
93.07047	64.4
95.04970	5.9
95.08608	94.0
97.10164	11.3
105.07034	42.8
107.07877	3.6
107.08597	71.2
109.06547	2.9
109.09438	5.7
109.10164	78.4
111.08066	5.0
111.11720	7.4
117.07030	3.7
118.07726	2.5
119.08591	47.9
121.10149	56.7
123.11705	34.6
125.09664	8.8
127.11209	9.0
131.08572	12.4
133.10132	33.3
135.11697	47.7
136.12012	2.6
137.13292	19.9
139.11189	4.1
143.08611	4.4
144.09348	4.8
145.10127	23.0
147.11681	30.7
148.47696	2.7
148.57642	2.7
149.09633	4.9
149.13255	38.5
149.14343	4.3
151.14938	3.1
155.08560	3.3
157.10037	5.4
159.11707	24.7
161.13266	26.3
162.44011	2.9
163.14793	17.1
171.11725	5.6
173.13284	15.9
175.14864	20.8
177.16365	20.0
185.13255	6.6
187.14803	14.1
189.16431	17.4
191.18008	15.4
195.17484	5.4
199.14838	5.0
201.16364	10.2
203.17946	15.8
205.19521	4.0
213.16367	5.3
215.17979	13.2
217.19508	14.1
227.14230	3.3
227.17889	5.6
229.15822	2.8
229.19472	15.0
231.21094	10.4
240.15344	3.9
243.21147	4.5
245.22604	3.0
251.17857	3.2
257.22659	5.8
259.24362	3.4
269.18997	6.2
269.22821	3.0
271.24252	8.4
283.24228	4.1
285.25696	7.2
301.25201	3.4
325.28860	3.5
339.30396	4.8
343.29965	3.8
383.33206	4.2
398.74353	3.2
407.32040	3.8
407.37241	17.0
425.21231	3.6
425.38181	64.0
426.38013	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.37276	1.6
53.03939	2.4
55.05508	13.2
57.07072	5.1
59.49873	1.6
62.40271	1.4
65.03929	2.1
67.05502	23.5
69.03439	1.5
69.07068	31.0
69.17651	8.1
69.18074	5.4
71.08637	2.7
79.05495	11.4
81.07058	54.2
83.08633	13.0
91.05504	7.0
93.07043	30.1
95.04945	1.7
95.08609	94.1
96.08969	1.7
97.06535	2.6
97.10169	6.0
102.98010	1.4
105.07020	18.3
107.08600	43.2
107.09280	2.8
109.10163	60.0
109.10915	3.0
110.10537	2.1
111.08106	4.0
111.11729	6.4
119.08588	28.4
121.10147	42.0
123.08126	3.0
123.11705	26.9
125.04563	1.5
131.08598	6.3
133.10135	24.0
135.11694	33.3
137.09540	2.0
137.13266	19.9
143.08524	2.3
145.10089	8.9
147.11678	16.1
149.13277	17.3
151.14828	2.6
157.10159	2.9
159.11671	13.2
161.13271	15.1
163.11174	1.9
163.14827	17.8
171.11655	1.7
173.13242	8.9
175.14859	12.1
177.16368	7.5
179.14371	5.8
179.17978	1.8
185.13226	3.3
187.14857	7.0
189.16418	14.6
191.17961	23.1
192.18236	1.8
201.16460	8.1
203.17989	14.3
205.15810	2.1
205.19473	9.2
207.17439	5.0
213.16328	1.7
215.17940	10.3
217.19533	9.9
219.17497	1.8
219.20956	2.3
229.19534	7.2
231.21043	2.6
233.19061	2.4
241.19563	2.9
243.21095	6.0
245.22652	8.4
247.20634	16.3
255.21028	2.5
257.22745	3.8
261.22208	4.6
269.22684	3.2
270.22946	1.7
271.24280	4.2
273.22272	1.9
283.24319	2.1
285.25769	4.0
287.23474	2.6
301.25098	1.9
315.26895	1.9
337.02704	1.7
355.30255	2.0
407.36722	18.9
425.37845	100.0
426.38165	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.05508	22.7
57.07072	14.4
65.47158	4.2
67.05507	30.6
69.07068	50.9
69.19452	27.9
79.05499	24.8
81.07060	98.0
83.08616	26.1
87.28602	4.0
91.05492	20.4
93.07046	50.0
95.08607	100.0
97.06530	4.5
97.10178	11.5
99.08084	9.1
105.07039	46.7
107.08601	60.3
109.06532	4.2
109.10158	69.1
109.10828	6.8
111.08145	4.6
111.11728	7.5
119.08570	48.1
121.10133	58.1
123.11703	37.6
131.08565	13.0
133.10144	37.1
135.11694	47.7
137.13266	15.2
143.08566	10.2
145.10156	21.7
147.11702	36.2
149.13264	25.6
157.10161	6.9
159.11691	27.0
161.13301	24.3
163.14865	17.9
171.11658	4.7
171.82480	4.7
173.13304	13.0
175.14812	16.6
177.16447	10.6
185.13298	8.2
187.11197	8.3
187.14792	20.6
189.16418	19.1
191.17926	21.3
199.14857	6.7
201.12852	5.2
201.16466	15.0
203.17958	20.6
207.13951	4.2
207.17429	6.9
213.16574	5.6
215.17947	11.6
217.19553	14.6
219.17459	8.6
229.19540	10.2
231.21172	7.4
233.15324	9.4
241.19923	4.4
243.21019	7.8
245.22726	5.2
299.27292	6.1
311.27170	6.2
325.28937	8.3
339.26736	8.5
340.27466	6.7
343.30127	7.1
344.24203	4.9
383.33057	11.6
407.32510	11.2
407.36588	17.7
425.32968	37.8
425.38046	28.1
426.34000	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	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.61513	4.6
55.05519	35.3
57.07068	14.1
59.34412	4.3
67.05505	43.1
67.44003	4.6
69.07069	48.0
69.07850	4.7
70.52750	12.6
71.04985	5.3
71.08617	6.3
79.05494	22.7
81.07054	86.5
83.08608	28.6
89.06010	7.5
91.05483	35.4
92.70207	4.6
93.07036	62.6
95.08605	100.0
97.06493	5.6
97.10172	15.0
105.07034	45.3
107.08596	64.7
109.10167	76.3
110.10512	7.4
117.07039	7.0
119.08573	52.5
121.10137	56.5
123.11697	31.2
126.80946	4.9
127.11193	10.0
127.96542	4.7
131.08572	11.2
133.10162	35.5
135.11700	43.5
137.13271	17.8
143.08618	5.1
145.10135	25.6
147.11710	34.7
149.13260	31.0
159.11693	29.8
161.13298	25.1
163.14874	15.4
173.13304	23.8
175.14818	18.4
177.16386	18.5
185.13184	7.4
187.14879	10.0
189.16368	16.7
191.17984	17.1
201.16428	14.4
203.17967	15.3
205.19485	8.8
213.16412	6.0
215.17992	10.0
217.19478	13.3
229.19650	16.7
231.21080	15.0
259.24216	5.6
271.24310	8.2
277.61456	5.1
407.36786	16.2
408.37164	6.0
425.21817	8.9
425.33380	21.7
425.38651	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13557	10.7
52.16058	9.1
53.03940	15.5
55.05504	29.7
57.03422	14.9
57.07098	9.9
67.05501	30.5
69.03436	44.2
69.07077	72.6
69.42727	8.9
70.06586	15.3
71.04985	15.3
73.02910	13.2
75.36446	9.7
79.05478	27.0
79.88137	9.9
81.03415	22.1
81.07054	65.8
83.05001	13.0
83.08611	27.9
85.02910	100.0
85.06534	20.7
87.00824	30.2
91.05478	27.5
93.07051	41.2
95.01332	16.8
95.04973	38.2
95.08610	24.5
97.02905	42.5
97.06545	10.8
97.10128	10.7
98.23420	20.2
99.04443	16.9
100.11227	11.8
105.01893	53.2
105.07021	51.2
107.04945	12.7
107.08585	25.9
109.02883	30.3
109.06507	43.1
113.02361	17.4
119.08576	22.5
121.10121	16.2
123.08118	13.6
127.03925	76.1
131.08551	13.8
133.06511	12.3
135.11737	12.4
137.05994	16.7
141.01833	34.1
143.14346	55.8
145.04999	25.7
145.10118	37.7
149.09612	17.7
151.07545	24.2
159.02919	12.3
159.11676	22.6
163.11198	21.8
172.37773	10.0
173.09579	20.2
179.10548	11.5
187.11234	25.8
191.10695	27.1
201.03969	29.4
202.16862	10.9
209.11693	24.6
215.10713	17.0
230.70229	10.4
231.04964	19.4
233.11769	13.5
409.14792	30.1
421.17960	10.5
427.15475	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	15.6
55.05500	22.3
57.03437	15.7
57.07084	11.8
60.37133	9.1
66.92074	9.1
67.05513	39.6
69.03436	39.2
69.05987	48.5
69.06406	38.3
69.06767	10.7
69.07079	70.8
71.05027	9.4
73.02924	14.2
78.48428	8.4
79.05495	23.8
81.03422	21.6
81.07063	50.5
83.08615	27.1
85.02908	89.9
85.06533	24.4
87.00839	43.7
91.05466	20.2
91.09466	11.2
93.07062	28.6
95.01319	14.4
95.04971	30.8
95.08627	20.3
95.36216	7.9
97.02894	32.8
97.06542	10.8
99.04488	9.2
100.11275	17.1
105.01875	36.5
105.07024	30.1
107.08610	17.3
109.02886	37.6
109.06532	26.7
119.08581	17.2
121.06515	17.1
121.10149	9.9
123.08069	12.4
127.03922	100.0
131.08569	13.2
135.08057	10.1
137.05983	14.6
140.10674	10.2
141.01822	24.3
143.14340	58.6
145.05006	16.9
145.10153	17.9
151.07549	17.2
163.11176	9.3
187.11171	18.2
191.10713	17.8
201.03998	15.1
210.14778	14.9
215.10669	11.5
231.05048	23.6
233.11909	12.4
266.08670	8.9
295.72302	10.0
300.16473	10.5
427.16235	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	426.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.5
58.30286	0.5
67.05494	2.1
69.07063	3.9
70.06561	1.3
71.08629	6.0
72.08137	1.6
79.05483	1.8
81.07062	3.5
83.04989	4.8
83.08619	2.2
84.05306	1.1
84.08139	1.7
86.06081	3.0
91.05471	1.5
93.07076	3.2
95.04961	1.2
95.08605	5.3
96.08131	2.6
98.06049	0.8
98.09686	2.5
99.08103	2.2
105.07019	2.5
107.08595	3.6
108.08103	1.3
109.10143	1.5
111.95084	0.7
116.10736	15.9
117.07037	0.6
119.08574	2.7
121.10159	2.5
122.09675	1.6
122.10510	0.9
123.08021	0.8
123.11720	1.7
131.08507	0.9
131.60924	0.6
133.10124	2.8
135.08015	0.9
135.11713	1.5
136.11238	1.0
137.13368	0.9
143.10658	2.7
145.04379	0.7
145.10133	1.6
146.74655	0.7
147.11668	0.9
149.13237	1.5
154.15938	2.5
157.10153	0.9
159.11655	2.0
163.11253	0.8
166.15874	3.1
168.17538	0.9
171.11661	1.2
173.13216	1.4
178.15883	1.3
181.06453	0.9
187.14771	1.0
189.16420	1.0
196.16972	7.6
199.14745	0.8
214.18025	100.0
215.18375	4.3
257.17484	2.0
277.28040	0.7
310.24023	1.2
328.24863	4.4
408.25677	1.0
408.30511	1.1
426.31830	5.1
427.28159	1.2
427.32855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.04553	0.5
61.02908	0.2
61.77611	0.2
67.74682	0.1
67.99660	0.1
69.29515	0.1
70.06583	0.5
81.03404	0.2
82.17308	0.2
85.02921	0.4
86.09703	0.2
91.05463	0.4
94.04056	1.6
96.05597	0.3
98.97552	0.2
105.03402	0.2
106.04046	0.2
110.07141	0.2
121.05091	0.2
123.06668	1.0
129.07037	0.2
133.05063	0.4
148.06186	0.2
150.07751	100.0
151.08189	2.1
158.08113	0.2
209.95357	0.2
256.61343	0.2
282.11963	0.7
295.11493	18.6
296.11731	0.8
360.85815	0.2
427.09592	0.4
427.14731	0.3
427.19693	0.5
445.16190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1581
Annotation	Bruceine H
Peak:m/z	Relative Intensity
50.48662	0.4
50.94432	0.5
52.67598	0.4
55.01857	0.5
55.05519	1.0
67.05502	1.4
69.03429	1.1
69.07082	0.8
71.05000	0.7
76.45222	0.4
79.05482	1.3
81.07061	2.2
83.04981	0.7
85.02909	1.0
85.06541	0.7
87.00864	0.5
91.05476	1.4
91.96998	0.4
93.07046	2.1
95.04946	1.2
95.08608	0.9
97.02905	0.5
97.06526	0.8
98.22630	1.1
99.04473	0.5
100.11251	0.6
103.05423	0.5
105.07021	2.4
107.04992	0.5
107.08583	1.5
109.06542	0.8
111.00525	0.7
111.04378	0.5
111.08057	0.7
119.08586	1.7
121.06498	1.2
121.10139	0.7
123.11714	0.6
127.03941	0.7
133.10147	1.0
136.50650	0.4
137.05965	0.4
139.07561	0.9
143.08521	0.7
145.10173	0.6
147.11707	1.2
157.10126	0.6
159.02682	1.3
161.13324	0.6
165.12778	0.6
167.06989	1.0
171.11725	0.5
175.11166	1.3
193.12225	1.6
197.11809	1.0
211.13254	0.8
217.12231	1.0
221.11505	2.5
235.13206	1.1
247.13092	0.7
249.11034	1.5
249.14565	0.4
253.14410	1.0
291.12247	0.6
305.14084	0.4
309.13092	13.3
310.13397	1.1
311.14673	0.6
339.14172	6.1
352.98624	0.5
365.15768	3.1
367.13589	2.6
381.15082	1.2
383.16681	0.4
384.15808	0.5
409.14642	0.9
427.15714	100.0
428.16101	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
57.86508	0.2
60.36860	0.2
67.05514	0.8
68.76254	0.3
69.03438	0.3
69.07066	0.7
69.46066	1.4
79.05487	0.4
81.07085	1.4
85.02886	0.3
91.05479	0.5
93.07056	0.6
95.08599	1.4
97.06596	0.3
105.07040	0.5
109.06520	0.3
109.10169	0.4
119.08597	0.6
121.10136	0.7
125.09710	0.3
130.50789	0.2
131.08540	0.3
133.10155	0.4
135.08138	0.3
135.11710	0.3
137.09604	0.4
145.10167	0.4
147.11684	0.3
151.07578	0.3
159.11798	0.3
161.13316	0.3
165.09146	2.9
203.03502	0.2
238.07932	0.3
255.11594	0.3
283.10962	0.3
304.73004	0.3
341.52618	0.2
427.26694	100.0
428.27042	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21944	0.7
55.05521	1.3
57.29531	0.6
67.05510	1.9
69.03430	1.3
69.07072	1.0
75.32536	0.7
79.05502	1.1
81.07056	1.8
83.08629	0.9
85.02924	2.1
91.05476	1.9
93.07053	1.6
93.55328	0.7
95.05019	0.8
95.08628	1.6
97.02890	0.7
97.06581	0.8
105.01861	0.9
105.07064	1.7
107.08587	1.7
109.02919	0.9
109.10175	2.0
111.08106	0.7
117.32877	0.8
119.08653	0.8
121.10162	1.2
127.03922	1.1
129.06912	0.7
131.08507	0.9
132.73404	0.7
145.10178	1.0
159.11732	1.1
161.13274	0.8
165.09128	2.3
167.07057	0.9
255.11331	3.2
293.89423	0.7
365.26563	2.1
384.15723	1.1
409.25549	1.1
427.13986	4.6
427.26691	100.0
428.27020	7.8
440.40372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
69.07065	0.4
70.06594	0.5
79.67046	0.4
81.07069	0.5
91.05481	0.5
95.08624	0.6
101.12605	0.4
104.66644	0.3
109.10170	0.7
119.08577	0.4
139.61790	0.4
165.09132	1.0
254.99858	0.4
303.62018	0.4
375.02542	0.4
427.26657	100.0
428.21115	0.6
428.26999	9.8
445.78040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3209
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
55.05495	8.6
57.07063	8.7
62.35843	3.0
64.82626	3.2
67.05479	9.1
69.07072	18.9
69.30786	16.3
71.08607	5.0
79.05477	7.8
81.07066	20.9
83.08612	14.3
90.88754	2.7
91.05436	7.8
93.07016	9.5
95.08608	21.1
95.83456	2.6
97.06557	3.1
97.10155	3.1
98.23426	3.9
105.07008	11.5
107.08596	21.6
109.10143	15.5
115.36298	3.3
119.08560	11.1
121.10132	14.8
123.08094	4.3
123.11685	11.5
129.20735	2.7
131.08530	4.1
133.10077	13.1
133.10941	2.8
135.08011	8.8
135.11664	10.3
137.09676	3.5
137.13239	4.3
145.10129	7.0
147.11703	5.3
149.13220	4.7
157.10101	6.7
159.08029	4.7
159.11723	7.7
161.09550	8.2
161.13278	4.0
165.09113	6.5
171.11609	3.1
172.12064	2.7
173.09584	6.4
173.13229	4.3
175.11147	5.5
175.14882	3.4
177.09123	5.6
187.11137	11.9
187.14629	3.6
189.16368	3.2
191.17867	5.5
201.12654	6.9
202.13304	3.3
205.15782	8.8
243.17303	11.3
271.17133	2.7
273.22064	4.0
279.48355	2.8
289.17938	2.8
311.23578	5.3
325.25372	4.0
339.26663	6.7
340.27457	11.0
363.30090	2.9
381.27023	4.1
381.31516	50.9
382.31790	7.2
391.29544	3.8
409.30722	8.5
409.35059	5.5
427.31766	100.0
427.36679	6.0
427.46619	4.4
428.32181	13.1
431.42389	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	427.3207
Annotation	Griffinisterone D
Peak:m/z	Relative Intensity
51.25627	4.5
55.05519	17.7
57.07073	6.7
67.05510	20.5
69.07078	32.7
70.36397	7.3
70.36743	10.9
79.05479	9.2
81.07054	31.0
83.08644	16.1
86.09712	7.5
91.05478	8.0
93.07037	22.5
95.08613	41.0
97.10191	5.6
105.07031	14.2
107.08605	36.5
109.06493	5.1
109.10153	29.5
119.08591	22.8
121.10120	21.8
123.08047	6.9
123.11726	20.4
131.08586	5.5
133.10147	19.0
135.08070	7.3
135.11713	17.4
137.13307	7.8
145.10159	12.2
147.11708	15.1
149.13263	5.5
157.10063	8.7
159.11722	16.8
161.09654	6.1
161.13286	12.3
163.14806	5.9
171.11703	6.7
173.09677	8.4
173.13278	7.4
175.11217	10.9
175.14854	9.3
177.16455	13.6
181.61188	4.7
187.11208	27.0
187.14807	10.1
189.16289	5.2
201.12611	9.8
201.16341	8.1
203.17999	7.5
215.14290	5.3
215.17944	7.9
219.17464	21.3
233.18900	4.8
238.47885	4.5
243.17482	16.6
289.18182	6.3
311.23578	10.5
325.25290	10.9
339.26938	13.5
340.27560	16.7
353.28085	6.3
381.31516	72.1
382.31885	10.4
409.30954	20.3
409.35376	8.8
427.31573	100.0
428.32410	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51286	1.2
53.03963	1.4
54.70338	1.1
55.05516	47.1
57.07080	15.5
58.94291	1.1
67.05510	13.1
69.07074	48.0
69.14928	9.9
71.08650	8.4
79.01915	1.1
79.05508	6.4
81.07066	26.1
83.04993	4.2
83.08625	100.0
84.08955	2.3
85.06566	2.1
85.10193	1.9
91.05479	10.1
93.07041	12.2
95.04965	2.2
95.08611	28.5
97.06538	4.8
97.10187	12.3
98.22464	1.4
105.07028	13.3
107.08604	11.6
109.10168	17.1
117.07040	2.6
119.08588	10.9
121.10123	9.4
123.08110	2.6
123.11713	3.8
129.07047	2.1
131.08575	4.5
133.10132	20.2
135.08099	3.1
135.11731	5.5
137.09642	2.1
139.14830	3.6
142.07805	2.3
143.08562	4.8
145.10156	5.8
147.08087	1.5
147.11703	3.5
149.09596	1.5
149.13306	1.3
155.08597	4.2
157.10118	7.7
159.11734	6.6
161.09657	5.3
161.13292	4.5
163.11215	7.3
163.14844	1.5
165.09129	1.5
169.10147	1.6
171.11697	4.8
173.13319	5.2
175.11217	3.4
175.14885	3.6
177.12761	3.0
177.16457	2.1
183.11710	2.3
185.13231	4.0
187.14847	2.5
189.12724	1.4
189.16418	1.9
191.14336	1.5
191.17943	1.4
192.51627	1.3
197.13278	3.6
199.14883	6.0
201.12788	1.4
209.13318	2.3
211.14824	2.7
213.16481	2.0
215.14566	1.5
217.16020	1.8
223.14848	2.4
225.16451	2.1
229.15825	2.0
251.17975	5.4
252.18645	2.6
253.19528	9.2
269.19009	2.8
271.20483	7.8
307.24277	2.1
314.35306	1.4
317.95941	1.3
339.27121	1.5
391.33609	5.3
409.34677	89.5
410.35025	8.5
427.36121	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
50.45301	1.7
53.03938	3.6
55.05515	47.5
57.07087	13.6
60.74930	2.0
65.03931	2.5
65.35151	1.9
67.05507	23.8
69.07072	56.6
69.18260	3.5
69.18668	9.0
70.07402	1.8
71.05006	2.2
71.08631	10.8
71.20528	1.8
79.05502	14.8
81.07057	50.6
82.07411	2.1
83.04960	3.7
83.08623	100.0
85.06548	2.8
91.05476	14.0
93.07050	32.1
95.04974	2.2
95.08608	71.7
96.08944	3.5
97.06558	2.4
97.10179	16.6
105.07034	29.9
107.08597	42.3
108.08931	2.3
109.10157	42.4
110.10522	3.1
111.08085	3.3
111.11732	4.7
113.09648	1.9
114.91754	1.9
117.07024	3.9
119.08576	31.5
120.08956	1.9
121.06526	3.8
121.10146	41.6
122.10493	2.4
123.08096	6.4
123.11711	31.8
125.09673	2.2
130.07933	1.8
131.08574	14.0
133.10129	34.0
134.10408	1.7
135.08078	2.9
135.11705	23.6
136.12129	2.0
137.09616	4.6
137.13289	10.8
143.08578	4.0
145.10129	18.4
147.08020	3.7
147.11685	20.0
149.09628	5.6
149.13272	17.7
151.11183	2.6
151.14818	5.7
155.08580	4.3
157.10149	7.6
159.11700	18.0
161.09613	5.8
161.13277	16.8
163.11189	9.0
163.14857	7.2
165.12840	2.3
169.10072	2.7
171.11726	5.4
173.13254	13.2
175.11240	2.7
175.14822	15.3
177.09061	1.9
177.12782	4.9
177.16388	9.6
179.14268	2.9
181.12299	2.6
185.13249	7.4
187.14848	14.5
189.12708	3.6
189.16405	18.1
191.14413	2.8
191.17966	15.6
196.09126	1.8
197.13268	3.6
199.14841	5.1
201.16371	9.5
203.14420	3.2
203.17918	12.3
205.15923	4.8
205.19585	4.5
207.17456	2.5
211.14882	4.9
213.16447	4.4
215.17976	8.1
217.15869	2.5
217.19508	5.0
223.14975	2.0
227.17950	3.2
229.19511	6.9
231.17500	2.1
231.21114	11.3
237.18530	2.9
239.18018	1.8
243.21021	3.8
245.22768	2.1
251.18005	6.7
253.19528	9.7
257.22690	13.0
269.22549	2.7
271.17621	1.7
271.20636	8.5
271.24176	8.3
296.83368	1.9
305.49289	1.7
367.29965	3.1
381.31522	3.7
391.33765	4.2
408.53186	1.9
409.34821	88.8
410.35114	9.3
411.14172	2.3
427.17139	6.6
427.31192	13.4
427.36450	55.1
428.35898	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	46.3
57.07074	15.7
67.05503	13.8
69.07071	43.4
70.98364	3.1
71.08640	7.5
79.05487	7.5
81.07060	20.1
83.04993	2.0
83.08620	100.0
84.08951	1.8
85.06533	1.8
85.10190	2.3
91.05471	10.4
93.07047	16.5
95.06110	1.3
95.08606	37.6
97.06548	6.2
97.10168	16.3
105.07019	11.9
107.08595	13.2
109.06508	2.8
109.10170	15.8
110.74068	1.5
117.07011	2.2
119.08609	12.7
121.10137	12.5
123.08079	4.1
123.11687	3.3
125.09640	1.4
129.06976	2.6
131.08586	5.5
133.10133	18.4
135.08067	3.3
135.11725	6.2
137.09590	3.2
137.13239	1.7
139.14824	3.1
143.08591	2.8
145.10139	5.2
147.08020	2.3
147.11717	5.9
149.13257	2.6
155.08548	2.6
157.10143	8.7
159.11717	7.9
161.09608	2.9
161.13252	3.0
163.11145	6.8
163.14748	1.6
165.12755	2.1
169.10146	3.0
171.11690	3.2
173.13255	4.5
175.11179	2.3
175.14854	4.2
177.12827	3.1
183.11734	2.7
185.13237	3.0
187.14825	3.3
188.44780	1.2
189.16360	2.2
190.77747	1.3
191.14360	2.5
195.11702	1.5
197.13225	2.1
199.14871	5.4
203.14189	1.6
203.17792	1.5
211.14804	2.7
213.16264	2.0
215.18016	3.6
217.15880	2.7
217.19347	1.5
219.17400	1.4
223.14868	1.6
251.17876	6.5
253.19571	8.2
271.20609	6.9
301.25351	2.1
391.33630	6.1
409.34662	94.9
410.35135	10.4
427.30362	47.7
427.35773	16.6
428.30737	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
Peak:m/z	Relative Intensity
52.89183	4.7
55.05521	21.5
57.07080	12.7
67.05506	14.3
69.07067	35.8
70.98749	10.6
71.08623	10.8
79.05492	10.3
81.07057	30.2
83.08620	31.4
85.10182	7.9
91.05495	12.2
93.07075	22.0
95.08638	30.8
97.06571	5.0
97.10205	12.8
103.05466	4.3
105.07065	16.6
107.08596	21.4
109.10163	17.3
111.11726	9.4
117.07059	5.2
119.08585	15.1
121.06546	9.8
121.10140	18.3
123.08070	4.7
123.11771	8.8
125.09638	11.6
131.08571	11.0
133.10149	11.4
135.08057	7.4
135.11739	11.1
137.09622	11.3
137.13222	5.5
145.10124	16.8
147.11734	6.1
149.09642	5.5
149.13324	8.0
155.08559	5.3
159.11702	12.2
161.13219	4.9
163.11278	7.9
173.09697	6.7
173.13287	9.3
185.13313	11.1
187.14841	9.7
201.16321	6.8
211.14880	6.1
213.12755	5.3
215.14421	7.5
223.15007	5.0
227.14301	15.3
229.15947	5.8
239.45607	4.8
241.15678	4.6
245.15492	5.2
391.33588	9.9
409.34686	42.1
417.82880	4.7
427.25641	5.3
427.30420	6.6
427.35703	100.0
428.36111	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	427.3572
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
51.29867	2.1
55.05514	40.8
57.00126	2.2
57.07072	13.2
67.05499	15.1
69.06729	2.9
69.07074	41.3
69.08179	20.1
71.08618	9.1
77.99565	2.5
79.05481	5.6
81.07054	27.6
83.04980	3.0
83.08621	81.6
83.09116	4.7
85.06538	2.9
89.49181	2.5
91.05470	11.7
93.07055	14.2
95.08615	38.4
97.06536	7.5
97.10165	10.1
98.23462	3.4
99.81101	2.1
105.04491	2.0
105.07040	17.0
106.07352	2.3
107.08609	18.3
109.06501	2.6
109.10156	21.0
119.08562	13.8
120.08955	2.0
121.06451	2.6
121.10168	13.6
123.08057	3.4
123.11707	9.0
125.09605	2.6
131.08582	4.4
133.10138	18.1
135.08044	2.5
135.11655	10.7
137.09689	2.8
137.13248	7.6
143.08511	3.6
145.10110	6.0
147.11673	7.7
149.09549	3.0
149.13295	4.7
150.13486	2.8
157.10129	5.8
159.11725	6.2
161.09633	4.1
161.13286	6.1
163.11171	6.3
171.11591	3.2
173.13226	5.3
175.14735	3.4
177.12674	2.9
177.16388	3.1
185.13248	2.9
187.14804	2.5
189.16299	3.6
197.13260	4.4
199.14764	4.7
201.16254	3.9
204.42744	2.3
211.14786	3.3
217.19478	3.2
234.15688	3.3
251.17947	3.2
252.18680	3.1
253.17088	2.3
253.19440	11.4
271.20569	6.5
274.16531	2.4
301.24997	2.5
307.24106	3.0
345.67896	2.6
391.33557	4.1
409.34637	100.0
410.35043	11.3
411.77554	2.8
427.15509	7.3
427.35715	45.4
428.15717	4.7
428.35837	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	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.52198	1.1
55.05240	2.2
55.05512	41.0
57.07072	14.2
67.05508	12.8
69.07069	39.5
69.74100	5.7
71.04985	1.1
71.08634	7.6
79.05494	8.7
81.07056	19.6
83.05000	3.1
83.08621	93.1
84.08958	2.9
91.05502	9.2
93.07037	10.6
95.04995	1.7
95.08606	26.0
97.06550	5.8
97.10180	11.0
104.02893	1.3
105.07038	11.6
107.08604	11.5
109.06586	1.5
109.10168	14.4
111.08067	1.6
117.07033	1.7
119.08572	12.4
121.10150	11.7
123.08078	3.0
123.11697	3.8
129.06961	1.3
131.08568	6.1
133.10135	15.8
135.08060	2.5
135.11682	7.6
139.14812	2.6
143.08589	2.9
145.10136	6.1
147.08083	1.9
147.11682	4.6
149.09695	2.8
149.13196	2.1
150.08524	1.4
155.08568	2.3
157.10147	5.1
159.11674	6.8
161.09608	4.2
163.11214	5.0
169.10123	1.8
171.11714	2.9
173.13257	2.3
175.11212	2.1
175.14804	3.0
177.12756	5.0
177.16394	1.5
183.11694	1.5
185.13283	2.2
187.14795	2.0
189.12741	1.6
189.16501	2.0
191.17979	1.4
196.12289	1.2
199.14807	5.3
203.14287	1.7
203.18016	2.1
205.15839	1.3
209.13188	1.6
211.14828	3.3
213.16330	2.3
223.14900	1.7
229.15913	2.1
243.21333	1.4
251.17990	4.4
253.19489	9.2
269.19116	2.8
271.20502	6.6
290.65115	1.5
307.24405	2.3
391.33826	6.2
393.35007	1.5
409.34683	100.0
410.34924	9.5
427.30487	1.6
427.36072	16.6
427.46835	2.9
428.36530	2.2
437.58414	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05511	11.3
57.07082	6.1
65.03936	0.9
65.57458	0.8
66.35224	0.7
67.05503	13.1
69.03427	1.8
69.07072	23.6
69.13086	1.7
69.13488	5.8
71.04998	1.3
71.08631	2.6
77.03898	0.8
79.05490	10.9
80.17936	0.7
81.07061	32.1
82.07393	0.9
83.08618	19.4
85.06531	1.8
91.05480	9.4
93.07046	24.9
94.07384	0.8
95.04941	2.0
95.08611	58.4
96.08990	0.9
97.06530	1.8
97.10181	5.0
105.06435	0.6
105.07035	27.6
107.08598	48.8
109.06522	2.6
109.10157	31.5
110.10496	1.1
111.08091	2.4
111.11723	4.2
117.07053	1.7
119.08587	43.4
120.08998	1.0
121.06556	1.2
121.10146	100.0
122.10516	3.0
123.08121	4.6
123.11711	62.0
124.12054	1.9
125.09666	1.8
127.07603	1.0
131.08592	4.9
133.10133	25.6
134.10471	1.1
135.08041	2.1
135.11702	35.1
136.12062	1.2
137.09615	2.0
137.13263	12.1
139.07588	2.8
141.09099	1.2
145.10129	5.4
147.11688	22.1
149.09636	2.6
149.13269	12.4
151.11221	1.3
151.14824	13.6
153.09120	7.3
157.10104	1.5
159.11668	5.1
161.13268	13.6
163.11180	5.2
163.14841	11.4
164.15506	0.9
165.12747	6.0
167.10684	13.2
169.10088	1.5
171.11824	0.9
173.13335	3.1
175.14833	16.1
177.16385	43.8
178.16731	1.8
181.12247	27.2
182.12601	1.4
183.12163	1.3
183.13782	8.0
185.13229	1.3
185.73480	0.8
187.11507	0.8
187.14827	3.5
189.16386	35.5
190.16800	2.2
191.17947	70.2
192.18295	4.1
193.15913	3.3
199.14891	1.2
201.16377	8.5
203.17957	21.3
205.19560	1.6
209.15335	1.9
211.17024	2.9
217.19525	21.5
218.19841	1.1
219.17464	10.4
229.19453	1.0
231.21049	7.6
233.19012	1.5
235.16972	2.0
237.18501	15.7
238.18971	1.0
243.21127	1.3
245.22687	8.4
247.20610	6.2
357.27716	0.9
367.30093	1.6
391.33600	9.9
409.34924	6.5
427.15701	1.1
427.35815	56.0
428.36176	6.1
434.01477	0.8
449.24603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
53.56059	0.6
55.05513	9.1
57.07066	5.7
67.05500	5.9
68.25074	0.6
69.07070	27.0
70.07402	0.6
71.08636	2.9
79.05480	2.9
81.07055	11.0
83.04939	1.0
83.08617	12.3
84.08946	0.6
85.10171	1.1
91.05479	2.5
93.07037	4.8
95.04965	0.7
95.08605	11.3
97.10149	5.9
105.07012	3.4
107.08583	8.2
109.10159	9.0
111.08089	0.7
111.11716	3.1
117.07042	0.7
119.08588	6.2
121.06458	0.8
121.10129	6.9
122.07307	1.7
123.08050	1.6
123.11728	4.3
125.13276	1.6
131.08556	2.0
133.10130	4.4
135.08052	3.4
135.11699	3.5
137.09618	9.1
137.13251	2.8
138.62584	0.6
145.10146	2.1
147.08086	1.2
147.11691	3.3
149.09631	9.2
149.13274	1.7
151.07538	1.5
151.14783	1.2
156.85721	0.6
157.10120	1.0
159.08040	0.6
159.11723	2.2
161.09665	1.2
161.13242	1.8
162.06787	1.0
162.30202	0.5
163.07510	2.0
163.11174	7.6
163.14803	1.0
165.09114	100.0
166.09447	4.3
167.10619	0.6
171.11678	1.4
173.09624	1.1
173.13249	1.7
174.10381	0.8
175.07588	1.7
175.11186	2.6
175.14828	1.6
176.08372	1.0
177.09087	6.0
177.12714	1.4
177.16350	1.5
179.10670	1.7
187.11183	1.4
187.14798	1.6
188.12030	0.6
189.09097	3.4
189.12741	1.9
189.16377	2.3
190.09912	1.1
191.10667	6.0
191.17981	1.1
201.12793	1.4
203.10678	7.4
203.14326	1.8
203.18007	1.4
205.12253	10.9
206.12474	1.1
215.14284	0.7
217.12250	1.8
217.15736	0.6
219.13811	3.4
219.17360	1.0
229.15991	0.8
231.13806	2.0
233.15359	1.3
241.15541	0.7
245.15352	1.3
275.20129	1.0
278.57007	0.7
282.09744	0.6
289.21536	1.1
317.24860	0.7
345.27789	1.1
358.28549	0.8
381.31317	0.8
385.31363	0.8
409.30502	1.6
409.35135	1.2
412.33179	1.2
427.15381	2.6
427.20239	0.9
427.31189	3.2
427.36423	14.2
428.15927	1.1
428.36194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.6
54.74733	0.8
55.05514	14.4
57.07079	6.9
65.03922	1.9
67.05186	1.2
67.05506	16.0
69.03405	1.3
69.07071	25.0
69.08389	3.3
69.08817	3.2
69.17341	0.6
71.08607	2.8
77.03925	1.0
79.05492	13.1
81.03433	1.0
81.07061	41.0
82.07390	1.5
83.08624	16.8
85.06526	2.2
85.10175	1.0
88.29773	0.7
91.05483	15.8
93.07047	32.7
94.07367	0.7
95.04955	1.4
95.08610	63.8
96.08932	1.1
97.06529	1.8
97.10159	5.9
99.08120	0.7
103.05427	1.0
105.07034	43.8
106.07339	0.9
107.08596	60.4
108.08938	2.7
109.06516	2.1
109.10157	38.4
110.10502	1.4
111.08094	2.7
111.11743	3.6
117.07023	1.5
119.08587	51.6
120.08865	1.0
121.10147	100.0
122.10485	3.2
123.08097	3.9
123.11711	74.0
124.12050	2.4
125.09666	1.6
127.07586	1.0
131.08578	4.0
133.10136	30.7
134.10471	1.3
135.08067	2.1
135.11699	35.6
136.12038	1.7
137.09607	1.8
137.13255	10.6
139.07547	3.0
141.09038	0.9
143.08594	1.5
143.18086	0.8
145.10112	8.1
146.10994	1.1
147.08046	1.0
147.11691	36.0
148.12088	2.0
149.09641	2.3
149.13264	18.2
150.13557	0.9
151.14818	10.2
153.09096	7.1
157.10219	1.2
159.11688	8.5
160.12413	1.0
161.13261	23.9
161.14551	1.3
162.13652	1.4
163.11183	5.8
163.14836	10.7
165.12749	8.9
166.13177	0.8
167.10693	7.9
171.11714	1.7
173.13257	3.8
174.14009	1.3
175.14845	18.6
177.12849	1.0
177.16389	36.4
178.16747	2.4
181.12219	21.0
182.12677	1.3
183.13791	6.5
183.15074	0.7
185.13309	1.4
187.14861	5.3
189.16388	31.4
190.16840	2.0
191.17950	56.8
192.18356	2.8
192.97552	0.7
193.15891	1.5
194.13174	0.7
197.13356	1.2
199.14952	0.8
201.16408	7.8
203.17961	40.9
204.18411	1.9
205.15919	1.6
205.19577	3.6
209.15472	2.0
211.17024	1.9
215.17982	1.2
217.19522	27.7
218.19922	1.4
219.17451	7.4
222.17989	0.7
223.17072	1.2
231.21045	9.7
235.17021	2.0
237.18480	12.6
243.21202	1.4
245.22647	17.1
245.25089	1.0
246.23013	1.0
275.20145	0.9
289.21677	1.1
303.23279	0.8
343.26126	0.7
385.31268	1.4
391.33847	0.9
409.30701	1.5
409.34897	2.8
418.09692	0.7
427.36053	45.3
428.36490	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	427.3572
Annotation	zymosterol intermediate 1c
Peak:m/z	Relative Intensity
55.05511	26.8
57.07071	17.1
61.42982	2.1
62.12796	2.6
62.43971	2.1
62.87238	2.4
64.15302	2.8
65.03958	3.9
67.05492	15.9
68.05844	2.6
69.03419	2.9
69.07069	45.9
71.08632	11.6
71.32516	3.5
71.81872	2.4
77.70950	2.6
79.05494	10.7
81.07052	25.6
82.51682	2.9
82.54521	2.8
83.08623	21.1
85.06561	4.0
85.10199	5.9
91.05491	16.5
93.07039	26.7
95.04960	2.6
95.08604	31.5
97.06534	5.0
97.10189	11.4
105.07008	19.8
107.08601	21.0
109.06493	4.0
109.10163	25.0
111.08121	4.2
111.11717	9.2
117.07024	3.9
119.08597	20.0
121.06531	10.1
121.10122	13.4
123.08073	5.7
123.11717	7.3
125.09641	8.6
129.07080	3.8
131.08537	13.1
133.10149	11.2
135.08055	11.5
135.11696	10.7
137.09598	22.2
137.13248	4.3
139.07498	2.6
143.08553	4.4
145.10114	18.3
147.08121	4.0
147.11720	11.1
149.09628	15.0
149.13255	8.1
150.48567	2.9
155.08592	5.4
157.10129	11.3
159.08090	4.2
159.11708	8.8
161.09624	5.0
161.13295	4.5
163.11224	12.6
165.09120	100.0
165.10460	5.8
166.09496	4.5
171.11739	6.1
173.09593	6.1
173.13264	9.6
175.07570	3.6
175.11198	11.6
177.09163	7.6
177.12737	3.9
179.10570	2.6
185.13283	10.9
187.11206	3.7
187.14775	5.2
189.09042	3.9
189.12849	4.5
191.10637	8.3
199.14755	4.8
201.12752	7.8
203.10695	11.6
205.12292	14.3
209.13274	3.7
213.12846	3.9
215.14328	8.3
219.13878	5.5
227.14317	14.5
233.15433	3.3
241.15555	3.0
269.19278	3.6
283.24289	3.4
285.25818	5.0
287.19989	3.1
296.15787	2.7
317.28177	3.0
326.87128	3.2
367.33810	6.6
381.31296	3.5
391.33533	8.7
409.34677	30.5
427.35892	57.4
428.36322	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05519	14.2
57.07081	7.3
63.22933	1.5
67.05509	17.1
69.03426	2.3
69.07070	30.9
69.22961	8.1
70.07415	1.1
71.04994	2.9
71.08623	3.0
73.81569	1.4
79.05494	14.0
81.07060	42.8
83.04997	2.8
83.08627	21.4
85.06542	4.3
91.05486	12.9
93.07049	34.1
95.04987	4.1
95.08611	68.3
96.08939	2.9
97.06536	3.8
97.10177	6.5
99.08089	1.2
105.07036	39.9
106.07386	1.7
107.04970	1.4
107.08601	57.3
108.08903	1.4
108.21052	1.3
109.06536	4.2
109.10164	41.3
110.10520	2.8
111.08074	4.2
111.11723	3.1
117.07025	3.7
119.08584	53.2
120.08956	3.8
121.06542	1.9
121.10148	100.0
122.10491	2.3
123.08079	5.4
123.11713	64.5
124.12067	2.4
125.06013	1.4
125.09653	1.5
129.06987	1.7
131.08528	5.8
133.10136	36.7
134.10506	1.5
135.08070	5.6
135.11700	43.4
137.09618	3.1
137.13243	13.9
139.07553	3.5
143.08582	4.5
145.10115	10.5
145.88492	1.3
147.08089	3.1
147.11694	31.6
149.09650	6.1
149.13274	16.6
151.11208	2.5
151.14832	13.5
152.15140	1.7
153.09140	6.8
157.10132	6.7
158.10832	1.4
159.08020	1.4
159.11743	11.8
161.09689	1.7
161.13272	19.6
162.13560	1.5
163.11221	6.3
163.14847	12.8
164.93585	1.2
165.12730	7.6
167.10695	10.9
167.14349	3.0
169.10086	1.6
171.11711	5.3
173.09691	2.3
173.13240	6.7
175.14825	18.6
177.09143	1.3
177.12782	3.7
177.16396	38.6
178.16711	2.4
179.14284	2.3
181.12242	24.5
183.11719	2.8
183.13835	6.8
185.13223	3.6
187.14848	8.8
189.09047	1.3
189.12709	2.6
189.16402	38.2
190.16750	3.7
191.10785	1.2
191.17955	69.8
192.18365	3.5
193.15881	3.4
197.13350	2.1
197.15219	1.5
199.11134	1.3
199.14915	2.4
201.12793	3.4
201.16444	9.9
203.10718	1.5
203.14256	2.1
203.17969	26.0
204.18312	2.4
205.12097	1.9
205.19601	2.5
207.17410	3.0
209.15399	2.1
211.14893	1.9
211.16878	2.5
213.16418	2.4
215.14343	1.4
215.18071	2.3
217.15813	2.2
217.19536	19.0
218.19798	1.6
219.13814	1.9
219.17406	9.5
221.15451	2.8
223.17030	1.3
227.18111	1.4
231.21100	7.1
233.15353	1.8
237.18465	14.7
241.19586	2.6
243.21176	1.6
245.18985	2.0
245.22696	9.5
247.20811	2.8
253.19531	2.4
269.22684	3.6
271.16678	1.2
287.23697	2.9
320.31021	1.2
347.38660	1.2
367.30093	1.8
381.31689	1.7
391.33536	4.8
409.26761	2.4
409.30887	4.7
409.34967	4.3
413.16272	1.5
427.17319	1.6
427.28165	6.2
427.36368	46.8
428.36093	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80023	0.8
53.03939	2.0
55.01876	5.1
55.05504	1.6
57.03439	11.2
61.02927	9.4
69.03432	17.6
69.07066	1.3
70.06614	1.8
71.01344	1.8
71.04996	3.1
73.02920	35.3
79.05504	5.0
80.99977	0.8
81.03417	4.1
81.07060	39.9
82.07384	0.9
84.05061	0.8
85.02908	39.8
87.04463	2.0
91.03951	2.1
97.02892	31.6
99.04472	2.1
99.08099	28.3
103.03939	1.2
109.02885	3.5
115.03928	13.2
117.09134	100.0
118.09448	2.5
127.03907	13.4
133.04971	15.8
137.05949	1.2
145.04964	16.9
150.74136	0.9
153.02551	1.0
163.06039	8.8
193.05038	1.3
199.05952	0.9
213.11205	1.8
217.07050	1.4
223.06023	1.7
241.07042	2.5
249.13258	4.8
259.08249	4.7
267.98297	1.0
279.14465	2.0
295.10129	0.9
428.11469	1.2
428.19238	4.1
429.21075	32.6
440.96323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.1
55.01872	6.6
55.05489	1.8
57.03432	12.9
61.02928	11.4
67.05508	2.9
69.03431	27.5
69.07076	14.0
69.39201	7.6
69.39617	3.7
70.06604	12.1
71.01368	2.0
71.04991	10.5
73.02919	33.1
73.04750	3.0
79.05495	5.5
81.03418	8.2
81.07060	30.6
83.05018	1.6
84.08141	3.0
85.02907	100.0
86.03243	2.4
86.09722	3.3
87.04462	3.0
91.03948	5.4
95.04946	2.5
95.08620	2.3
97.02899	41.6
99.04476	4.7
99.08096	30.0
100.07162	1.8
103.03988	1.9
105.07030	1.9
109.02906	9.5
111.04443	1.6
115.03935	15.1
117.09136	88.2
118.09481	2.8
119.04971	2.9
127.03919	28.4
128.06212	2.0
131.18883	1.7
133.04948	15.4
140.31065	2.0
145.04968	49.1
150.07776	4.3
151.08170	1.9
163.05998	27.4
180.10199	2.9
187.66010	1.9
204.06320	2.0
223.05939	2.8
241.07155	1.9
249.13368	2.8
259.08087	3.3
266.14465	2.1
410.17859	1.7
428.11728	7.8
428.19977	29.4
429.21313	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	428.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61861	0.9
53.03947	4.6
55.01862	3.8
55.05516	6.6
57.03434	3.0
57.07077	10.6
59.05004	1.3
61.02918	2.9
65.03942	1.0
67.05482	2.5
68.99778	2.1
69.03088	1.0
69.03433	13.7
69.39322	3.7
71.04993	2.9
73.02910	3.0
79.05495	2.9
81.03419	13.3
81.07057	3.3
83.04989	1.9
83.08606	3.1
85.02903	37.1
86.03255	1.0
87.00835	15.4
89.06033	30.8
91.05463	2.7
93.07027	1.7
95.04948	1.1
95.08611	1.3
97.02888	14.0
97.06518	0.9
99.04475	4.9
100.07592	4.7
101.02357	0.8
101.09655	16.7
105.01878	10.6
105.07019	2.7
107.07070	34.1
107.08599	1.5
109.02880	15.2
113.41375	0.9
117.01860	1.7
119.08549	1.7
120.08094	2.1
125.37670	0.9
127.03910	22.6
128.07047	2.3
129.01854	1.5
129.05559	1.0
129.06944	1.2
131.08575	1.8
133.10153	1.2
136.07593	0.9
139.33530	0.8
145.04964	9.3
145.10155	2.0
145.12219	1.1
146.08113	2.6
159.02872	6.9
161.09589	1.1
163.13292	100.0
164.13643	2.9
211.49481	1.0
213.03914	1.9
231.04951	3.8
231.10127	1.3
243.29002	0.8
331.15598	0.8
341.60977	1.0
385.18112	2.1
428.15997	16.3
429.16638	13.8
429.22336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55023	4.1
53.03974	4.2
55.01869	10.4
57.03433	31.9
59.05002	3.7
61.02934	24.5
66.37280	3.7
69.03437	39.3
69.07067	4.2
69.19277	28.0
70.06594	43.9
71.05003	7.3
72.08147	5.3
73.02921	84.7
73.04755	10.6
79.05498	14.3
80.80807	4.0
81.03397	5.5
81.07062	86.1
83.05006	4.7
84.04503	7.2
84.08160	8.2
84.21656	4.6
85.02908	100.0
86.09722	13.0
87.04464	7.3
91.05838	23.6
95.08580	5.9
96.32193	4.2
97.02890	65.3
98.95933	4.2
99.08097	65.1
109.02908	8.5
109.06596	6.2
111.04475	3.9
115.03931	26.9
117.09136	54.4
119.04955	4.5
121.04243	3.9
123.08054	3.7
127.03891	28.1
129.10175	4.8
133.04991	46.3
142.23380	4.2
145.04974	42.8
150.07779	12.9
151.08043	5.1
163.06070	20.4
167.05571	11.3
187.10837	6.4
189.05254	5.0
190.05627	6.4
195.10252	4.5
217.11900	8.8
220.09488	27.2
223.05960	5.6
241.07001	7.5
249.07516	5.0
259.07938	9.6
265.10342	5.1
266.10049	25.9
295.10168	14.9
342.99921	4.9
359.02689	19.6
368.56958	4.1
404.54675	4.2
428.15942	97.9
429.08612	5.5
429.13824	15.3
429.21033	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	26.6
55.01865	23.1
55.05506	20.4
57.03426	10.1
57.07066	7.1
65.03936	23.1
67.05505	46.6
69.03431	59.8
69.07054	23.4
70.16502	6.2
71.04995	21.5
71.30396	7.2
75.11259	7.5
76.39507	8.4
79.05495	57.7
81.03428	42.0
81.07050	54.9
83.05023	15.6
85.02905	100.0
85.06535	31.2
86.09702	32.7
87.00842	15.4
91.05453	69.0
93.03407	56.6
93.07038	31.0
95.04965	28.2
95.08594	25.4
97.02888	31.9
97.06512	12.9
99.04441	12.6
103.05445	18.5
105.01867	27.7
105.07025	54.8
107.04947	12.5
107.08581	23.5
109.02875	24.8
109.06519	8.6
109.10146	26.3
111.04453	7.6
115.05457	35.4
116.06271	7.2
117.07004	20.9
119.08582	26.8
120.08163	6.9
121.06509	11.9
121.10159	11.5
123.08076	8.2
123.11681	8.4
125.09619	10.8
127.03941	41.0
128.06226	58.3
129.07036	54.3
131.04973	10.2
131.08530	15.0
133.10136	9.8
135.08081	7.4
137.06047	10.1
137.09598	9.8
141.06989	30.6
142.07831	14.6
143.08580	38.7
145.04976	18.5
145.06497	34.4
145.10138	7.0
146.11803	8.2
147.08055	20.4
152.06195	10.9
153.06952	25.0
154.07819	13.6
155.08539	11.8
157.06459	7.5
157.10106	17.0
159.02956	7.2
159.08028	9.9
159.11636	8.1
163.11171	22.5
165.06990	19.4
165.09131	15.2
167.08458	8.4
169.10081	17.1
171.07979	11.5
171.11655	7.0
189.12698	7.7
213.12714	48.0
231.13785	14.7
256.11578	16.8
280.01480	8.3
328.64529	7.2
332.94461	7.7
428.16089	13.0
429.17105	9.3
429.24631	9.8
432.85815	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	428.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	26.6
55.01865	23.1
55.05506	20.4
57.03426	10.1
57.07066	7.1
65.03936	23.1
67.05505	46.6
69.03431	59.8
69.07054	23.4
70.16502	6.2
71.04995	21.5
71.30396	7.2
75.11259	7.5
76.39507	8.4
79.05495	57.7
81.03428	42.0
81.07050	54.9
83.05023	15.6
85.02905	100.0
85.06535	31.2
86.09702	32.7
87.00842	15.4
91.05453	69.0
93.03407	56.6
93.07038	31.0
95.04965	28.2
95.08594	25.4
97.02888	31.9
97.06512	12.9
99.04441	12.6
103.05445	18.5
105.01867	27.7
105.07025	54.8
107.04947	12.5
107.08581	23.5
109.02875	24.8
109.06519	8.6
109.10146	26.3
111.04453	7.6
115.05457	35.4
116.06271	7.2
117.07004	20.9
119.08582	26.8
120.08163	6.9
121.06509	11.9
121.10159	11.5
123.08076	8.2
123.11681	8.4
125.09619	10.8
127.03941	41.0
128.06226	58.3
129.07036	54.3
131.04973	10.2
131.08530	15.0
133.10136	9.8
135.08081	7.4
137.06047	10.1
137.09598	9.8
141.06989	30.6
142.07831	14.6
143.08580	38.7
145.04976	18.5
145.06497	34.4
145.10138	7.0
146.11803	8.2
147.08055	20.4
152.06195	10.9
153.06952	25.0
154.07819	13.6
155.08539	11.8
157.06459	7.5
157.10106	17.0
159.02956	7.2
159.08028	9.9
159.11636	8.1
163.11171	22.5
165.06990	19.4
165.09131	15.2
167.08458	8.4
169.10081	17.1
171.07979	11.5
171.11655	7.0
189.12698	7.7
213.12714	48.0
231.13785	14.7
256.11578	16.8
280.01480	8.3
328.64529	7.2
332.94461	7.7
428.16089	13.0
429.17105	9.3
429.24631	9.8
432.85815	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	429.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88114	0.5
55.01923	0.6
56.96318	0.9
56.96624	11.0
57.03482	1.1
57.07115	1.0
61.02982	0.6
66.34769	0.6
67.05550	1.2
67.07671	0.5
69.03455	0.7
69.36197	3.6
70.06660	1.6
71.95321	0.6
72.08206	0.6
73.02979	1.0
73.04829	2.4
84.08177	0.9
84.96108	2.2
85.02919	3.1
87.04530	0.7
88.48990	0.5
89.06103	0.8
91.05813	5.2
94.06628	1.4
94.10221	0.5
96.89754	0.7
97.02962	2.0
98.23323	1.2
98.96986	1.1
98.97588	29.2
101.02436	1.0
110.97573	6.5
112.99191	0.8
113.00945	0.8
115.03970	0.8
116.98630	13.8
119.02007	1.6
122.06133	1.1
124.99243	0.7
125.53960	0.7
128.98627	5.8
130.93378	1.8
131.00244	1.3
131.01994	2.2
134.99733	6.0
136.06216	4.2
137.03085	0.6
140.98819	0.9
141.81554	0.6
143.00244	2.4
143.01968	1.6
145.01752	0.7
145.03476	0.5
145.04990	0.9
146.99677	4.6
149.01180	0.7
149.03262	0.6
150.05516	13.8
150.06601	1.0
151.05923	0.7
152.98595	0.9
153.00951	1.6
153.98940	0.6
154.93176	0.6
157.03543	0.9
158.99742	6.8
161.01308	2.0
161.02977	1.7
161.04501	0.5
162.99432	3.2
164.98860	1.0
167.05614	2.1
170.99786	2.2
172.94341	2.8
173.01320	0.7
174.97768	1.1
177.00941	30.0
178.01143	2.3
182.99916	1.2
183.02563	0.7
185.01521	1.2
189.00938	3.5
189.03912	2.9
190.95442	1.9
191.45078	0.6
194.99852	1.1
195.02000	1.0
197.01421	1.3
200.02325	0.8
201.00926	16.7
201.02736	1.2
202.01164	1.2
203.02533	14.5
203.04259	1.2
204.02785	1.6
204.90199	1.1
205.00436	6.1
206.00620	0.8
206.99931	0.7
208.96487	1.2
213.00914	7.4
214.95459	1.4
215.02531	15.5
215.04543	1.2
216.02769	0.7
216.98842	1.0
217.04161	1.1
218.01224	0.7
219.01974	38.8
219.43954	0.6
220.02156	3.7
222.91350	0.8
225.00900	9.2
225.03131	0.8
225.04100	0.7
226.01143	1.3
227.02522	5.9
228.02670	0.7
229.00511	1.0
229.04070	1.5
231.02020	11.1
232.02283	0.7
232.89561	0.8
232.96461	2.4
233.03497	0.9
237.00865	2.8
237.02875	8.9
238.99043	0.7
241.00227	0.7
241.04112	1.0
243.02016	100.0
244.02162	11.4
244.04622	0.9
245.03609	2.9
246.91080	2.9
247.01430	0.8
249.00749	1.0
250.97404	0.8
255.02011	31.5
256.02225	2.4
256.96738	0.7
257.03455	0.9
261.03067	37.5
262.03189	3.5
264.92184	2.3
266.03598	2.0
267.01804	6.0
267.04590	0.6
267.05646	0.7
267.09671	3.3
273.03036	16.4
274.03125	1.9
274.90738	2.0
274.97595	3.2
279.05707	1.1
285.03079	20.0
285.06451	1.8
286.03220	1.9
288.92242	2.7
288.99100	1.3
292.91595	1.7
292.98499	1.9
296.58554	1.0
297.03259	1.2
297.07367	10.4
297.57568	2.2
303.04120	22.5
303.07465	0.9
304.04135	2.5
306.93262	2.9
306.99841	0.7
309.02765	2.1
309.06216	1.3
316.91754	4.8
321.05154	3.8
324.98782	0.6
327.03775	1.3
327.07489	1.2
332.94962	0.8
334.92731	5.1
339.07809	1.7
342.99716	1.0
345.05206	2.8
358.92712	1.0
359.02841	3.3
369.04703	8.4
369.08804	2.9
376.93793	1.1
386.91898	1.1
387.05701	12.3
387.09866	5.9
388.09976	0.8
404.93182	3.8
405.10626	1.8
410.06821	0.7
422.93997	2.1
429.10699	20.0
429.20486	2.7
430.11148	6.0
446.94119	1.0
447.12109	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	429.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23563	10.1
86.90952	4.0
98.22729	3.4
98.97642	3.7
121.09162	3.1
135.65109	3.7
217.11165	3.7
429.11594	100.0
430.12372	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	429.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32134	6.6
56.72233	5.1
66.52318	5.1
69.04922	51.7
69.05306	12.7
98.22605	10.1
118.63649	6.0
131.75101	5.6
143.89114	6.6
215.81027	6.0
294.84088	6.2
429.11478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1525
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
55.01875	1.9
66.40399	0.5
71.05005	0.8
79.05507	1.0
80.60954	0.6
85.39315	0.6
86.09715	1.0
86.98673	0.5
92.51023	0.6
109.72390	0.7
111.08081	7.1
145.10173	0.6
147.09773	0.8
161.09685	0.9
164.69283	0.6
173.47778	0.6
175.86357	0.5
181.04921	0.8
217.04701	4.9
229.15253	0.6
232.07086	52.1
233.07574	3.4
245.07919	0.9
285.31317	0.7
289.05127	0.9
381.13052	1.0
385.18369	1.6
429.15225	100.0
430.15665	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	429.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76251	0.3
65.32034	0.4
67.62289	0.3
69.03413	0.5
79.05491	0.5
81.07041	0.8
85.02886	0.7
87.95972	0.4
90.33291	0.4
91.05421	0.5
93.07030	0.5
107.08611	0.7
109.93130	0.4
119.08636	0.5
138.19308	0.4
147.11681	0.6
163.11194	0.6
209.10167	0.5
226.16740	0.4
230.35074	0.4
251.12555	0.6
272.72061	0.5
293.13632	0.7
311.14572	2.3
353.15799	0.5
362.52637	0.4
367.17343	3.6
368.18140	0.5
369.15085	1.1
383.16605	0.9
411.16110	1.2
429.17285	100.0
430.17609	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	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01871	13.1
55.05506	4.9
57.03426	7.8
57.07079	2.1
59.83524	2.0
61.02922	3.4
62.38461	2.4
65.03933	3.4
67.05491	6.4
68.99792	4.7
69.03431	43.0
69.03809	2.3
69.07077	7.1
70.06590	5.7
71.05003	13.1
71.11424	3.2
71.11796	1.9
72.08159	3.2
73.02927	10.4
73.04729	2.6
79.05482	13.4
81.03422	36.3
81.07066	19.1
83.04980	6.4
85.02905	74.7
85.06559	6.1
86.09704	18.1
87.00848	27.1
91.05434	12.6
93.07053	16.2
95.04966	23.9
95.08602	5.6
97.02901	24.6
97.05764	1.8
97.06532	6.5
99.04460	11.4
103.05477	2.8
105.01871	17.3
105.07012	15.0
107.04961	3.2
107.08615	14.8
109.02200	3.8
109.02882	40.2
109.06496	10.2
109.10148	2.6
113.02325	2.1
115.03950	2.5
115.05444	6.6
117.01845	3.7
117.07026	8.8
119.04941	4.7
119.08577	8.3
121.06519	6.2
121.10155	14.8
123.08080	5.1
125.05962	2.3
127.03914	60.8
128.06215	7.9
129.01825	3.8
129.07005	3.7
130.07803	5.6
131.04977	3.2
131.08598	3.1
133.06483	3.2
133.10114	2.7
135.08093	2.2
135.11688	6.8
137.05989	6.2
137.09634	2.7
141.01831	2.3
143.08583	3.5
145.04964	21.6
145.06459	3.8
145.10098	16.6
147.08089	3.1
147.11684	2.6
149.06007	2.4
151.07631	2.3
153.06992	3.2
155.08627	2.0
157.10129	2.4
159.02887	23.0
161.09627	3.9
162.05542	4.8
163.11188	100.0
164.11484	4.6
165.09129	2.2
167.05638	2.9
167.07016	4.8
169.12222	2.3
175.11160	3.4
181.12218	15.0
189.03922	3.0
193.12337	3.7
201.03862	3.3
205.12250	8.9
211.13269	2.9
213.03978	2.5
215.10651	6.8
223.13309	15.6
231.05008	12.8
271.97849	2.1
393.15100	3.3
429.21255	44.6
430.21582	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	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62153	1.2
53.03950	2.7
54.45028	1.2
55.01867	3.7
55.05507	2.7
57.03431	4.3
60.50494	1.1
67.05504	4.8
69.03423	19.7
69.07069	1.5
70.06596	4.5
71.05001	7.4
71.30870	1.8
72.08160	3.5
72.53109	1.3
73.02908	2.5
73.04758	1.6
74.06030	2.3
79.05486	7.6
81.03424	13.6
81.07060	10.4
83.04990	5.9
84.08162	2.3
85.02901	26.5
85.06534	3.6
86.09700	8.2
86.59040	1.6
87.00839	10.6
91.05455	7.2
93.07040	11.0
95.04978	21.6
95.08619	3.4
97.02891	27.1
97.06544	3.6
99.04452	8.1
101.02426	1.7
103.05476	1.6
105.01865	7.2
105.07027	12.6
107.08597	10.8
109.02882	7.0
109.06524	3.1
111.00802	1.5
116.07084	2.5
117.07014	4.5
119.08575	6.7
121.06505	4.6
121.08488	1.3
121.10142	12.7
123.08102	2.8
125.05978	8.4
127.03908	20.7
129.06995	2.6
129.98837	1.6
130.07779	5.4
131.08606	2.1
133.06497	1.8
133.10170	2.0
135.08017	1.7
135.11700	7.6
137.05957	2.6
137.09500	1.4
143.08572	1.9
145.04956	8.8
145.10109	19.0
147.07994	2.7
147.11630	2.1
151.07576	1.3
161.09584	2.3
163.11185	85.4
164.11601	4.2
165.09116	1.6
167.05565	2.0
173.09663	1.9
181.12204	16.1
187.93153	1.3
189.03963	3.0
215.10545	1.9
215.14024	1.9
223.13313	2.2
231.05034	7.0
359.02515	1.6
383.82938	1.6
385.14450	2.7
399.20108	4.5
411.20090	1.9
429.20981	100.0
430.21072	8.2
435.47437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27421	0.9
53.01649	1.0
53.03943	5.8
55.01871	5.2
55.05504	1.0
57.03432	4.7
60.79511	0.9
61.02925	2.9
64.98114	1.0
67.05497	2.7
67.45614	1.0
68.99799	1.9
69.03429	27.2
69.06519	8.4
69.07039	2.6
69.42350	0.9
70.06591	5.0
70.47417	1.1
71.04990	3.3
72.08160	2.9
73.02915	8.4
73.04758	2.1
73.80750	0.9
77.04011	1.0
79.05497	3.5
81.03418	20.9
81.07063	4.9
83.04960	2.8
85.02905	44.9
85.06528	1.5
86.09712	7.1
87.00829	14.1
91.03948	1.2
91.05436	3.3
91.05895	1.5
93.07050	9.0
95.04977	15.7
95.08640	1.6
97.02900	15.1
97.06528	1.7
99.04447	8.6
103.03940	1.2
103.05460	1.2
104.22128	1.0
105.01867	11.2
105.07025	10.6
107.04935	1.9
107.08600	9.9
109.02882	20.9
109.06526	2.2
115.05441	2.3
117.01846	1.7
117.06985	2.8
119.08550	5.4
121.06515	4.4
121.10134	11.5
123.04475	1.5
123.08083	1.2
125.05994	2.0
127.03918	37.3
129.01874	2.5
129.07098	1.0
130.07764	2.0
131.08551	1.1
131.52838	1.0
133.06462	1.0
133.10092	1.1
135.08035	1.6
135.11697	6.2
137.06030	2.3
143.08646	1.8
145.04951	13.8
145.10123	12.6
147.02879	2.5
147.08009	2.2
157.10043	1.0
159.02873	12.6
161.09590	1.4
163.11185	100.0
164.11545	4.5
165.09126	1.8
167.05580	1.5
167.07034	3.1
175.11230	3.2
181.12225	4.5
185.88303	1.3
189.03860	2.9
193.12241	2.0
205.12251	5.8
213.03912	1.0
223.13278	6.4
231.05016	7.6
231.13863	2.4
243.16972	1.3
247.13243	1.3
271.13373	1.3
289.14310	1.8
310.54651	1.1
320.12860	1.1
357.55203	1.0
359.02887	1.4
388.07184	1.0
393.15234	1.8
411.16040	1.2
424.05948	1.3
429.20898	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73502	0.4
56.96556	0.7
69.07069	0.7
70.06594	6.3
70.14528	0.5
70.14886	1.2
72.08163	2.2
73.04758	2.9
81.07095	0.5
84.04520	0.6
84.08148	2.3
85.02909	0.5
85.36279	0.4
85.58911	0.4
86.09713	3.4
91.05815	7.2
97.02885	0.8
98.09738	0.4
98.97577	0.7
105.07031	0.5
110.97549	0.5
111.95202	0.4
116.98631	0.9
119.07060	0.8
120.08035	0.4
128.06230	0.5
129.10265	1.5
130.05005	0.8
137.31764	0.4
141.07106	0.5
141.10246	0.8
148.06154	0.4
149.04538	0.7
167.05574	3.2
169.09697	0.6
170.52571	0.4
185.12817	0.5
203.05321	0.5
219.01788	0.6
237.02899	1.1
270.56790	0.4
273.77411	0.4
340.31427	0.4
341.01801	0.4
342.99854	0.6
357.50656	0.4
359.02856	3.7
360.03033	0.9
368.96066	0.4
369.08505	1.0
429.13895	3.9
429.20990	100.0
430.21405	7.2
430.27054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96992	0.2
56.96564	1.2
65.68909	0.3
69.03406	0.3
70.06588	0.6
70.76686	0.4
73.04756	1.2
73.27280	0.2
73.53918	0.3
79.51228	0.2
84.08121	0.4
84.96057	0.3
85.02931	0.3
86.09693	0.3
88.06109	0.3
91.05830	2.1
96.71456	0.3
98.97583	2.6
110.97586	0.8
112.99142	0.3
116.98639	1.1
121.10184	0.3
127.03931	0.3
128.98587	1.0
143.00130	0.3
146.99649	0.5
158.99612	0.4
161.01216	0.5
167.05618	1.0
170.99588	0.3
177.00699	0.3
189.00780	0.3
203.05276	1.4
219.01796	1.2
225.04272	0.3
227.27403	0.3
231.13583	0.3
237.02884	1.9
243.01797	0.8
261.02899	0.8
262.98434	0.3
321.02673	0.4
359.02856	1.3
369.04898	1.0
385.18396	0.6
387.06180	1.1
411.19888	1.1
429.20975	100.0
430.21347	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	429.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01174	2.7
55.05515	3.7
57.03435	6.0
57.07071	3.4
67.05497	9.6
69.07075	5.9
73.22594	2.7
79.05493	10.1
81.07059	19.1
86.14891	2.4
91.05447	6.4
91.70712	2.5
93.07057	12.0
95.08611	11.7
103.89885	2.9
105.07011	6.4
107.08592	14.0
108.71990	2.9
109.10167	7.5
113.00017	100.0
117.07041	4.6
119.08565	4.3
121.10143	10.9
123.08040	2.7
131.08586	5.8
133.10182	3.7
135.11687	5.2
135.35043	3.0
149.13263	4.8
159.11713	5.8
163.11180	3.0
163.14835	3.8
167.05525	3.0
169.02617	79.0
173.13348	5.9
243.21370	5.7
261.22144	17.8
263.98856	2.7
302.07028	3.0
329.82266	2.6
411.36768	3.6
428.37531	3.1
450.27252	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	429.3367
Annotation	Griffinisterone B
Peak:m/z	Relative Intensity
50.41250	1.1
53.03960	1.5
55.01870	1.4
55.05509	12.1
56.06971	1.2
57.03446	2.4
57.07083	6.7
65.03933	1.9
67.05504	17.9
69.03432	2.6
69.07073	24.2
69.47289	5.3
69.47690	1.9
71.04996	3.9
71.08623	2.6
79.05497	14.4
81.07059	32.5
83.04977	3.0
83.08626	15.3
85.06538	3.4
86.68286	1.2
91.05454	12.2
93.07050	34.8
95.04993	4.1
95.08611	50.9
96.08937	2.3
97.06536	2.8
97.10199	4.3
99.08099	4.0
102.24627	1.5
105.07037	19.6
107.08597	53.4
108.08884	1.1
109.06519	4.8
109.10159	36.8
110.10461	1.4
111.08077	7.6
111.11732	2.7
113.00024	30.6
117.07031	4.3
119.08585	47.9
120.08964	2.2
121.06469	3.4
121.10149	79.5
122.10514	3.4
123.08103	10.7
123.11710	29.2
125.09617	3.2
129.07025	2.4
131.08572	9.4
133.10135	27.2
135.08057	10.1
135.11700	25.8
137.09599	6.2
137.13269	9.5
139.07541	3.1
139.11209	8.7
142.07858	1.5
143.08585	3.3
144.09346	1.9
145.10138	26.5
146.10547	1.4
147.08037	1.6
147.11713	16.2
149.02373	1.7
149.09625	7.4
149.13284	21.2
151.07507	1.5
151.11203	4.9
151.14824	14.9
153.09142	3.5
155.08432	1.4
157.10106	5.3
158.10844	1.6
159.08023	1.6
159.11708	28.2
160.12137	1.3
161.09622	3.1
161.13264	16.7
163.11185	9.1
163.14809	12.5
165.09108	3.6
165.12807	3.0
167.10684	11.3
169.02615	27.8
169.03999	1.9
169.10112	2.5
169.12256	2.3
170.10878	1.6
171.11725	5.6
172.12372	1.3
173.09666	1.8
173.13261	13.2
175.11168	2.9
175.14824	9.5
176.11815	2.0
177.09058	1.2
177.12831	7.0
177.16400	47.2
178.16719	2.0
179.14299	3.8
183.11731	2.6
184.12581	1.2
185.13239	7.0
187.14832	31.1
188.15224	2.7
189.12744	3.9
189.16391	13.5
190.16934	1.3
191.10730	1.6
191.14342	14.4
191.17914	3.3
193.04977	1.8
193.15913	5.0
195.17429	1.8
197.13298	2.6
199.14775	3.0
201.12828	1.7
201.16414	15.5
203.14331	3.4
203.17949	5.0
205.12578	1.5
205.15898	37.6
206.16628	11.3
207.17462	16.0
213.16496	3.0
215.17976	3.6
217.16042	3.0
217.19563	3.5
219.17477	6.1
223.16965	12.9
227.14526	1.4
227.17885	3.1
233.19099	6.8
239.17938	1.2
241.19513	2.7
243.17465	1.4
243.21127	3.7
245.19037	4.8
247.20450	2.9
259.20627	3.3
261.19748	1.4
261.22171	9.7
271.20572	2.3
273.22244	2.5
285.22147	3.3
289.21738	1.9
317.24857	1.6
337.24933	1.6
369.31735	2.5
383.33209	6.9
393.31610	30.6
394.32059	3.0
411.32684	100.0
412.32986	11.8
429.34070	50.7
430.34088	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	429.3365
Annotation	Tylopiol B
Peak:m/z	Relative Intensity
53.03955	2.5
55.05520	11.0
57.07070	3.0
61.02953	2.1
67.05511	18.5
69.03831	14.9
69.07067	15.9
71.04984	7.3
73.85371	1.6
76.78443	1.4
79.05497	14.0
81.07062	30.0
83.08643	4.6
85.06565	4.3
91.05466	16.7
93.07053	38.4
93.07611	2.0
95.04985	4.7
95.08612	45.4
97.06576	4.2
97.10146	1.8
99.04478	2.7
99.08116	3.8
105.07030	50.3
106.07397	1.8
107.08597	49.9
109.06537	7.7
109.10161	30.7
111.08135	3.5
117.07069	6.3
119.08586	88.9
120.08958	2.5
121.06564	3.1
121.10154	52.2
121.11003	3.2
122.59798	1.7
123.08112	8.0
123.11733	17.0
129.07050	2.6
130.07788	1.7
131.08539	12.7
133.10139	49.4
134.10571	2.1
135.08093	3.5
135.11694	42.6
135.12659	2.3
136.12218	1.7
137.09668	5.4
137.13300	6.5
139.11168	2.3
143.08592	11.1
144.09442	2.5
145.10130	31.4
146.10805	1.6
147.11702	48.5
148.12216	2.0
149.09702	5.7
149.13272	15.9
151.11208	9.1
155.08591	2.0
156.09367	3.3
157.10168	12.8
158.10884	2.0
159.11720	23.3
161.09668	4.0
161.13266	58.3
162.13676	2.6
163.11258	4.8
163.14856	13.3
165.12732	3.7
169.10155	2.5
170.10924	3.3
171.11713	11.3
173.13263	18.4
175.11177	7.7
175.14833	10.4
177.12935	2.5
177.16425	3.5
179.14384	6.2
181.10210	1.6
183.11664	3.3
184.12582	2.0
185.13286	11.3
187.11320	2.1
187.14822	12.9
189.12767	39.4
189.16394	54.6
189.18005	3.0
190.16855	4.1
191.14415	6.5
191.18037	2.9
197.13362	5.6
199.14922	7.2
201.12866	2.2
201.16476	8.5
203.14334	10.2
203.18004	8.5
205.15872	3.4
207.13841	14.7
207.17455	71.3
208.17749	3.9
209.13345	2.2
211.14977	5.3
213.16402	10.8
215.18013	6.7
217.15953	3.0
217.19611	3.5
221.15512	2.3
225.16479	2.4
227.18117	2.7
229.15990	2.9
231.17526	5.3
239.18022	4.5
241.19527	3.4
243.21182	2.4
255.21237	5.2
257.19083	5.8
259.20584	1.8
271.20560	3.5
273.22198	3.1
348.84100	1.7
351.30658	3.8
369.31555	22.1
370.13440	1.9
370.32123	2.2
371.29428	22.1
371.33646	2.3
372.30017	2.6
375.30661	3.2
393.31702	14.7
411.27716	2.9
411.32724	51.0
412.32993	7.8
429.17517	2.3
429.33844	100.0
430.34219	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	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.54864	0.4
55.05510	2.3
57.07076	15.7
67.05505	4.3
69.07072	3.7
70.57187	0.7
70.57524	0.6
71.08631	11.3
79.05471	1.4
81.07050	5.4
83.04987	0.4
83.08620	2.5
85.10184	4.4
90.21684	0.4
91.05470	1.6
93.07038	1.9
95.08611	6.1
97.10170	2.2
103.08746	0.4
105.07009	1.7
107.08588	4.1
109.10153	5.3
109.10839	0.7
111.04390	0.7
111.11707	0.9
117.07033	0.6
119.08562	3.0
121.06508	2.1
121.10133	2.4
122.07272	1.4
123.08039	0.7
123.11706	1.2
125.13309	0.6
131.08568	1.4
133.10129	1.3
135.08087	3.8
135.09039	0.6
135.11684	1.6
136.08833	2.8
137.09615	9.0
139.07509	1.7
144.09323	0.6
145.10130	1.4
149.09610	11.3
150.10010	0.5
151.07512	0.7
151.14848	0.5
152.08209	0.5
153.09123	0.6
157.10120	0.5
159.08026	0.7
159.11668	2.1
160.08806	0.7
161.09552	0.7
162.32048	0.5
163.07547	0.7
163.11180	20.3
164.08325	5.6
164.11472	0.5
165.09113	100.0
166.09467	2.6
173.09628	1.7
173.13251	1.9
174.10239	0.5
175.07590	0.6
175.11166	4.7
176.08319	1.6
177.09120	10.5
177.12737	1.9
179.10661	1.2
186.10475	1.0
187.11177	2.4
187.14876	0.6
189.12756	1.8
190.09888	1.3
191.10651	8.5
193.12347	0.6
200.12018	0.6
201.12750	2.9
203.10687	1.0
203.14351	0.7
204.11349	0.8
205.12239	9.5
215.14412	1.4
217.15939	0.6
219.13800	5.0
229.15767	0.8
233.15347	2.9
247.16925	1.8
261.18481	0.8
275.20160	1.3
289.21609	1.3
303.23175	1.8
317.24786	1.0
331.26328	0.8
345.27744	0.5
373.31046	1.4
401.34116	2.3
411.36176	1.2
414.14468	0.5
429.37289	27.1
430.37994	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	429.373
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
55.05512	13.0
57.07077	14.2
66.00608	2.6
67.05515	22.2
69.07068	25.1
71.08624	12.5
74.05052	3.1
79.05486	7.8
81.07066	39.1
83.08628	16.9
85.10177	6.8
87.22011	2.9
91.05513	15.3
93.07055	30.3
95.08611	67.3
97.06527	9.8
97.10170	8.0
102.60951	2.7
105.07036	10.6
107.08596	48.4
109.10167	41.7
110.16991	2.9
111.11686	4.3
117.06984	3.8
117.91895	2.8
119.08585	19.4
121.10145	55.2
123.08057	3.7
123.11717	34.0
131.08598	5.4
133.10176	16.5
135.11711	27.1
137.09583	6.1
137.13301	15.8
145.10144	3.1
147.08014	2.9
147.11705	7.4
149.09560	6.5
149.13278	24.5
157.10080	15.8
159.11702	8.6
161.13252	5.5
163.11208	10.9
163.14828	19.3
165.09151	18.0
173.13252	5.1
175.15033	3.7
177.12831	3.4
177.16396	73.1
179.17950	9.3
184.75713	3.3
187.32922	2.8
189.16425	9.3
191.17902	14.6
193.19652	7.4
201.16586	3.5
202.07852	2.8
203.17915	4.5
205.19507	25.8
207.17429	6.0
211.14903	4.7
221.19041	10.4
225.18529	6.4
239.20160	5.6
317.28143	3.4
393.35226	13.9
411.36255	100.0
412.36572	8.3
429.17017	3.9
429.37344	38.1
430.37640	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	429.3728
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
50.03893	1.1
55.05515	10.5
56.96561	2.0
57.07082	8.9
60.17616	1.2
67.05504	11.4
69.06786	1.3
69.07080	14.4
69.63951	5.5
71.08630	7.9
77.22009	1.1
79.05484	7.4
79.59794	1.1
81.07055	17.4
83.04987	3.1
83.08636	6.5
83.55667	1.2
85.06544	2.7
85.10201	6.2
91.05470	13.7
93.07043	15.7
95.04936	2.1
95.08611	32.0
97.06520	6.4
97.10167	6.4
98.22707	1.4
105.07035	16.5
107.08596	12.1
109.10159	17.1
111.08120	3.0
111.11729	2.4
111.28462	1.0
117.07021	3.0
119.08572	12.9
121.06493	4.0
121.10150	12.3
123.08069	3.4
123.11718	4.8
131.08572	7.7
133.10141	15.8
135.08029	3.5
135.11685	8.2
136.12041	1.5
137.09706	1.4
137.13252	1.8
143.08528	4.4
144.67313	1.3
145.10114	8.5
147.08105	1.2
147.11699	6.7
149.09636	7.4
149.13255	3.7
154.06183	1.8
155.08534	3.3
157.10121	14.7
159.11665	8.8
161.09613	2.1
161.13254	4.1
163.11203	10.1
163.14731	1.4
169.08670	1.1
169.10147	2.7
171.11685	4.5
173.13263	3.5
175.11153	1.7
175.14799	1.6
177.12726	4.7
182.27255	1.2
183.11716	3.2
185.13237	5.2
187.14822	3.0
189.16461	1.7
191.14369	2.2
197.08064	11.0
197.13278	4.3
199.14883	3.2
201.16405	1.9
205.11990	1.3
211.14844	4.8
213.16443	3.3
225.16394	2.8
229.15767	1.7
248.92365	1.3
249.34898	1.2
253.19649	2.6
271.20529	1.4
303.26862	3.0
317.28351	2.6
319.19574	2.3
329.31870	1.3
337.20419	2.4
393.30847	1.7
393.35132	14.3
394.35495	2.2
411.36240	100.0
412.36569	8.6
429.32297	6.0
429.37247	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05511	10.9
57.03441	6.1
57.07077	5.4
59.05004	1.4
65.03936	1.6
67.05505	20.6
68.05846	1.1
69.03429	2.3
69.07069	22.4
69.56350	3.9
70.07410	0.7
71.04984	1.4
79.05492	15.9
81.07059	42.4
82.07385	1.0
83.04978	1.9
83.08622	6.7
85.06542	2.6
91.05466	11.4
91.05903	0.9
93.07046	32.2
94.07364	0.7
94.98992	0.7
95.04971	2.4
95.08608	63.6
96.08936	2.6
97.06541	8.0
97.10161	3.3
98.98497	0.8
99.04454	1.6
99.08073	1.5
100.65750	0.9
102.60641	0.7
105.07028	23.8
107.04955	1.0
107.08598	40.2
108.08908	1.2
109.06512	3.8
109.10159	29.4
109.10910	1.6
111.08065	5.4
111.11700	2.5
113.00018	100.0
113.09646	1.6
113.27898	0.7
117.07027	3.7
117.28321	0.7
117.29191	0.7
119.08582	54.1
120.08908	1.8
121.06518	1.4
121.10142	26.9
123.08055	5.4
123.11712	17.2
125.09608	2.6
125.13283	1.6
129.07019	1.2
131.08559	8.9
133.10132	33.1
134.10497	1.5
135.08055	3.7
135.11694	40.5
136.12022	2.6
137.05939	0.9
137.09622	4.7
137.13257	14.8
138.13629	1.0
138.32295	0.8
139.11209	2.1
142.07755	1.0
143.08562	2.4
143.86589	0.7
144.09407	0.7
145.10117	10.4
147.08064	1.0
147.11685	20.6
148.12010	0.9
149.09613	2.3
149.13258	14.4
151.11166	5.0
151.14825	5.2
153.09116	0.9
153.12685	0.9
156.09386	1.2
157.10124	3.7
159.08049	0.7
159.11708	8.2
161.09634	1.5
161.13269	9.2
163.11205	1.4
163.14830	10.3
165.09137	1.2
165.12753	2.1
169.02611	79.1
169.10219	0.9
170.03058	0.9
171.11729	4.0
173.13274	8.7
174.13791	0.9
175.11237	1.4
175.14815	8.3
177.12756	2.1
177.16405	4.3
179.14227	1.6
179.18037	1.0
185.13301	2.5
187.14824	6.5
189.16380	61.4
190.16736	2.9
191.14342	1.4
191.17973	2.0
193.15900	0.9
197.13277	1.3
199.14738	1.5
201.12781	0.9
201.16414	4.8
203.14330	1.2
203.17949	5.6
205.15915	2.8
205.19484	2.9
207.17442	98.5
208.17772	5.4
213.16394	2.0
215.17928	2.4
217.15897	1.5
217.19540	1.8
219.17400	2.4
221.19017	2.6
223.20540	1.3
225.16527	1.3
227.17972	2.0
229.15947	0.9
229.19563	1.3
233.18816	1.3
233.22713	1.4
241.19435	2.0
243.21074	11.7
244.21495	1.1
247.20561	1.3
255.21130	3.5
257.22644	2.6
259.20572	2.3
261.22144	22.7
262.22418	2.4
269.22449	1.0
271.24231	0.9
273.22150	3.1
275.23666	1.6
287.23788	1.4
291.23193	17.9
292.23560	1.8
295.24109	0.8
299.23688	0.9
301.25323	0.7
338.05914	0.9
338.27625	0.7
351.30374	1.0
369.31381	2.9
383.29047	1.0
393.35535	4.9
411.28329	2.0
411.32077	6.5
411.36337	6.0
429.29288	2.1
429.32605	6.9
429.37302	14.5
430.38193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	(3beta)-28-Norlup-20(29)-ene-3,17-diol
Peak:m/z	Relative Intensity
52.20638	1.7
55.05522	8.8
57.07073	9.3
59.51003	1.6
67.05499	10.5
69.07070	18.6
69.88078	6.4
71.08627	6.4
78.80959	1.7
79.05497	6.2
81.07055	16.4
83.04981	2.8
83.08630	12.3
85.10195	4.2
90.23521	2.2
91.05450	9.2
93.07047	11.0
95.08605	28.7
97.06553	5.6
97.10165	7.9
98.22701	2.4
105.07037	14.6
106.07332	1.8
107.08603	14.4
109.06496	1.9
109.10165	13.8
111.11714	2.7
117.06989	2.2
119.08575	10.8
121.10140	10.7
121.14462	1.6
123.08134	2.5
123.11692	3.4
129.06956	2.4
129.43869	2.0
131.08565	6.4
133.10136	17.4
135.08102	2.7
135.11716	8.5
143.08549	4.1
145.10075	8.5
147.11708	4.8
149.09657	9.2
149.13329	2.1
155.08586	3.2
157.10109	11.6
159.11697	7.5
161.09703	2.3
161.13286	3.2
163.11232	8.0
163.14815	2.6
169.10138	2.1
171.11766	3.9
173.13257	2.9
175.11368	2.0
177.12775	3.4
185.13297	4.8
187.14908	2.4
189.12868	2.0
191.14395	3.9
197.13132	2.4
199.14815	2.4
211.14680	4.3
225.16483	2.1
229.16031	3.2
252.18867	2.3
253.19565	3.2
303.26889	2.8
313.20486	2.3
317.28262	2.5
327.30502	1.9
335.34396	1.7
393.35269	14.4
411.36206	100.0
412.36493	10.6
429.37631	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03945	8.7
55.01626	1.0
55.01870	10.2
55.05516	1.0
57.03434	6.2
60.04533	1.5
60.70992	0.7
61.02928	6.4
64.80491	0.6
68.99791	3.2
69.03433	28.5
69.27328	0.6
70.35934	1.2
70.36246	0.9
71.01338	1.1
71.05001	5.5
73.02917	9.8
74.68723	0.6
81.03421	36.3
81.07056	0.7
82.03751	0.8
83.01342	1.7
84.50855	0.7
85.02907	100.0
86.03245	1.7
86.09714	1.0
87.00832	31.8
87.04485	1.4
91.03969	4.0
93.07041	0.9
95.04925	0.8
97.02894	37.5
98.03233	0.8
98.06060	1.4
99.04456	18.2
103.03934	1.0
105.01871	30.5
105.07050	1.8
105.31955	0.7
108.04484	9.1
109.02882	33.5
110.03231	1.2
115.03923	1.3
117.01860	5.0
117.05492	0.7
120.10028	0.8
124.05240	1.1
126.05515	4.3
127.03918	71.1
128.04248	1.6
129.01843	4.9
129.06979	0.9
137.05946	4.4
138.25793	0.6
144.05594	0.6
145.04965	36.4
146.05318	1.4
147.02863	3.7
159.02890	25.9
159.04234	1.3
161.06035	0.8
165.09128	2.5
175.07480	0.6
177.03949	1.5
187.07582	0.8
189.03931	1.3
189.09082	4.1
207.10190	1.2
207.13416	0.6
212.05579	1.0
213.03957	1.7
230.06642	2.6
231.05005	14.0
231.10132	2.1
248.07722	3.9
249.06033	0.9
255.10103	0.8
273.11240	1.5
283.16968	0.6
359.02496	0.8
422.52719	0.6
431.29471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01883	2.5
57.03441	4.2
59.05004	29.8
61.02929	5.7
69.03429	9.5
69.38073	13.5
70.06593	15.9
72.08172	7.8
73.02925	24.7
73.04758	6.7
80.14132	2.2
81.03477	2.6
84.04524	3.2
84.08138	12.2
85.02908	23.3
86.09715	9.0
87.04472	48.5
91.05858	14.1
91.37074	2.6
97.02890	16.9
98.22607	4.4
101.06024	100.0
107.04973	2.5
110.28033	2.3
115.03952	8.0
116.98623	2.1
119.07061	96.8
127.03947	9.3
128.06340	3.0
129.01491	2.4
129.06950	3.3
129.09372	3.2
129.10208	12.2
133.04993	8.5
145.04974	9.0
153.06982	2.6
167.05640	6.6
227.00215	2.3
343.99442	3.1
359.02637	2.4
360.02740	10.8
361.02655	4.0
382.57831	2.5
391.67786	2.6
430.13010	6.4
430.21387	19.4
430.30582	2.4
431.15237	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	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	22.3
55.01874	20.4
55.05521	8.5
56.83391	6.2
57.03442	9.1
61.02932	8.4
61.46962	7.0
65.03948	10.9
67.05514	30.7
69.03419	45.2
69.07074	24.7
70.06604	7.6
71.04989	65.5
71.30701	11.4
72.08161	14.9
74.02679	6.2
75.02364	6.4
79.05490	75.4
81.03425	17.8
81.07061	28.4
83.04987	20.2
85.02913	87.4
85.06549	17.8
86.09705	64.8
91.05469	56.4
93.07066	16.3
95.04960	37.7
95.08635	7.9
97.02884	28.5
97.06531	80.0
99.04461	9.3
103.05446	20.7
105.01891	13.3
105.07008	41.0
107.04961	14.4
107.08614	14.3
109.02909	35.5
109.06540	12.6
115.05441	55.1
115.07594	24.2
117.07026	26.4
119.04947	34.9
119.08583	19.8
121.06511	14.8
121.10179	15.7
127.03950	20.2
127.05446	23.5
127.07592	9.4
128.06226	100.0
129.07048	41.0
131.04939	15.9
131.08585	15.7
133.06502	12.9
136.07552	10.5
137.05981	8.6
141.07001	24.2
143.04951	21.6
143.08580	9.3
145.06487	26.5
145.10170	13.6
147.04335	9.5
152.06207	12.0
153.07007	13.7
154.07747	8.4
155.06024	14.0
155.08540	9.7
159.02875	9.0
159.08046	12.1
159.11700	7.6
161.05971	14.7
163.11191	26.3
164.07054	9.3
164.11540	24.1
171.08093	31.7
173.09627	8.7
215.10709	79.6
216.10924	8.1
242.67174	6.7
335.43195	6.9
352.40582	7.4
369.17484	7.2
430.21136	23.3
431.23001	32.4
431.28162	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	18.0
55.01848	13.6
57.03428	13.5
65.03928	22.4
67.05512	44.4
69.03426	21.0
69.07059	16.4
70.26069	19.5
71.05004	62.9
79.05490	76.3
80.37607	8.3
81.03422	13.9
81.07039	25.7
84.08146	19.6
85.02895	59.4
85.06538	56.0
86.09711	31.8
90.20582	9.3
91.05468	45.4
93.07020	18.0
95.04981	41.0
97.02893	22.4
97.06538	93.6
99.00178	8.2
101.03906	11.6
103.05488	12.4
105.07049	43.0
107.04934	11.6
109.02871	33.8
109.06548	11.4
115.05465	53.2
115.07590	45.1
117.07015	32.4
119.04942	46.4
119.08581	15.7
121.06519	22.6
121.10145	11.7
127.03905	23.8
127.05443	21.6
128.06230	100.0
129.03363	11.2
129.04559	8.3
129.06992	34.1
131.04930	22.0
136.07585	21.0
141.07011	17.2
143.04933	17.1
143.08588	21.4
144.05818	11.5
145.05002	10.1
145.06473	26.4
147.08081	10.3
152.06125	8.8
153.06990	13.3
154.07785	20.6
155.06046	20.0
155.08450	10.4
157.10028	10.3
159.08080	10.9
161.05959	15.6
164.07056	22.1
165.12688	10.5
171.08066	33.6
173.09669	12.8
190.39688	10.0
215.10658	97.2
276.00803	9.7
430.06467	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10495	2.4
53.03951	15.7
55.01875	9.7
56.41246	2.4
58.48561	2.3
65.03934	6.9
67.05502	14.4
69.03428	9.4
70.71258	5.1
70.71601	3.1
71.04987	10.8
79.05498	18.5
81.03423	11.9
84.08142	3.5
85.02913	20.8
86.09733	5.8
90.12248	2.4
91.05483	51.7
95.04993	6.9
97.02946	4.3
103.05473	13.9
105.03389	4.2
105.07021	12.1
109.02879	7.2
115.05449	44.3
116.06293	6.6
117.07001	23.8
127.05459	6.3
127.07574	3.1
128.06230	100.0
129.07022	35.0
131.04938	4.1
131.08594	9.2
141.06985	31.3
142.07796	8.0
143.08582	12.9
144.05795	2.6
145.06497	18.0
145.10178	2.7
152.06221	7.8
153.06985	22.5
154.07808	17.7
155.06058	9.8
155.08578	11.2
167.08577	4.0
169.06494	4.1
169.10197	5.2
171.08000	17.3
194.78233	2.6
215.10678	49.5
225.07776	2.7
233.11887	3.3
237.12653	2.8
242.40767	2.7
264.92917	3.1
285.39700	2.8
410.17908	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	430.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01865	15.7
56.75121	5.1
65.03945	25.9
67.05505	20.4
69.03429	9.1
69.07073	14.3
70.90762	10.6
70.91112	5.1
71.04985	18.6
72.08149	10.8
77.61342	4.3
78.47261	4.9
79.05497	67.1
79.31438	4.8
81.03432	9.9
84.04488	9.1
85.02892	15.4
86.09704	29.5
91.05474	61.8
95.04974	7.0
97.02881	7.7
97.06528	100.0
99.04468	5.4
103.05451	5.1
105.07041	12.7
115.05466	36.8
115.07571	44.8
116.06258	7.7
117.07014	22.4
119.04959	37.9
127.03868	5.6
128.06239	47.1
129.07068	27.9
130.05052	5.7
131.08585	9.1
141.06973	24.3
143.08524	6.3
145.06496	16.9
147.07680	7.8
153.06970	28.5
154.07736	13.9
155.05997	5.7
155.08601	12.4
159.08084	5.0
171.08144	8.1
197.09575	8.4
215.10681	44.7
276.03754	5.2
382.58386	5.7
431.22638	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	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01875	39.2
67.05511	2.3
68.41684	1.2
69.03439	4.2
69.12698	8.2
71.04993	12.3
76.55032	1.1
77.96702	1.1
79.05502	4.0
80.84130	1.2
81.07074	2.4
83.05011	1.3
85.02910	4.6
86.09724	2.2
87.04503	1.4
87.10004	1.1
91.05498	4.2
93.07049	4.7
95.04963	2.1
97.06558	1.9
98.22530	2.1
99.04463	1.2
99.08094	4.9
104.72777	1.2
105.07036	4.7
107.04969	3.4
107.08636	1.8
109.06525	1.4
111.04438	1.7
111.08081	100.0
117.07043	5.5
119.08602	3.4
121.06556	2.0
125.06004	1.6
129.07051	1.6
131.08577	4.7
133.10164	1.9
135.08067	3.5
137.06055	1.4
137.09648	1.7
141.06999	2.3
143.08569	1.7
145.06534	1.7
145.10124	4.4
147.08069	2.0
153.05467	8.4
155.08572	1.5
159.08081	4.2
159.11697	3.1
161.09650	4.8
163.07581	2.1
163.11153	2.4
169.10060	2.5
173.09631	5.7
179.10802	1.1
181.08696	1.3
187.11201	6.8
191.10657	8.7
205.12213	7.8
215.10680	2.2
217.04752	1.3
222.37279	1.1
232.07074	9.9
233.07397	10.8
233.11557	5.4
241.33980	1.3
303.63690	1.2
325.75876	1.2
430.15488	30.8
431.19382	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.4
55.01863	19.5
55.05506	14.5
61.02909	7.0
67.05505	14.7
69.03421	29.4
70.06596	11.8
70.37563	16.6
70.43159	5.8
71.04993	29.1
79.05511	44.5
81.03445	12.7
81.07056	24.4
83.04985	14.4
83.34721	6.9
85.02908	34.1
85.06530	8.4
86.09679	12.1
91.05481	35.9
93.03375	8.0
93.07033	14.0
95.04974	18.7
95.08585	13.4
97.02909	14.2
98.48263	6.0
101.06020	84.4
103.05462	24.2
105.03422	7.3
105.04542	7.8
105.07030	56.6
107.04962	14.2
107.08611	13.7
109.02873	9.5
109.06541	9.5
115.05482	37.6
117.07001	25.7
119.08572	10.1
121.06538	16.0
121.10150	9.1
126.05426	6.4
127.03972	15.5
128.06230	8.1
129.07019	8.8
131.08556	13.1
133.06490	64.6
133.10069	7.9
136.07570	7.3
141.06990	11.4
145.04849	7.5
145.06506	66.8
145.10158	11.5
154.07758	10.8
159.08046	13.7
187.07687	8.3
213.12743	7.4
215.10707	100.0
245.10016	7.2
336.80591	6.9
430.17340	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19807	1.3
53.03963	2.0
53.69513	1.3
55.01880	8.8
57.03438	22.1
57.07071	12.8
59.05017	1.6
61.02924	15.2
61.16485	1.4
63.04493	25.1
67.05516	1.8
69.03429	35.7
69.44965	9.1
71.01350	5.7
71.05019	1.6
73.02920	86.8
75.76075	1.5
79.05500	4.5
79.99462	1.3
80.56535	1.3
81.03419	8.3
83.06144	1.8
84.90676	1.2
85.02905	74.2
86.09715	5.7
87.04470	5.1
91.03958	3.5
95.04949	2.4
97.02892	65.0
97.06548	4.0
99.04446	5.4
103.03938	1.9
105.07022	2.4
109.02879	7.0
115.03927	34.3
115.05388	2.2
117.07004	1.4
119.04945	2.7
119.10696	100.0
120.11024	2.1
127.02959	1.7
127.03911	29.1
128.06241	2.0
129.06979	1.8
133.04971	37.1
135.04350	1.3
141.07031	1.8
145.04958	36.4
145.06181	2.1
150.07484	2.1
150.93938	1.4
163.06027	17.5
193.04990	3.2
215.10725	2.1
215.12656	3.2
217.07182	2.4
223.06076	7.4
241.07155	7.3
251.14842	4.4
259.08151	7.8
277.09354	1.5
281.16006	1.6
295.10306	4.4
306.38022	1.4
343.86496	1.4
391.93637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.90279	0.8
55.01883	1.2
55.05516	4.9
56.05028	1.5
68.05038	2.2
69.07068	2.2
70.06596	11.9
71.05000	6.7
71.30464	0.8
72.08160	65.4
73.04755	1.9
75.05640	0.8
79.05491	1.8
81.03408	1.9
83.06094	1.2
84.04507	28.0
84.08145	13.2
85.02922	2.4
86.09711	100.0
87.10049	2.0
89.71961	0.8
91.05463	3.3
91.05865	3.0
91.49039	0.8
95.04962	1.6
97.13691	0.8
98.06060	1.3
100.07661	1.4
101.07139	5.1
102.05579	1.7
103.05427	1.0
105.07047	1.6
107.05003	0.7
111.27731	0.7
115.05456	3.6
117.07011	5.2
119.04999	1.1
126.05656	0.8
127.08679	1.7
128.06216	3.9
129.07018	1.6
129.10242	10.4
130.05011	57.9
130.08652	2.8
131.11833	2.7
141.07030	1.4
143.08670	1.0
143.11806	38.7
144.12138	1.5
145.06490	1.5
147.07652	69.4
147.11292	3.8
153.06938	1.7
154.07835	1.2
154.26640	0.8
155.06073	1.0
155.08325	1.2
157.13374	1.6
167.05569	1.7
167.07100	1.3
171.11301	29.4
183.11334	0.7
185.12926	1.5
185.16455	1.2
187.14464	0.8
215.10683	2.5
239.17490	3.9
242.14955	1.9
243.13432	5.6
258.14914	22.0
260.16074	61.0
261.16455	2.8
268.06140	1.7
276.15976	3.5
284.19705	8.7
341.13345	0.9
359.02841	1.1
360.02814	2.5
361.02496	1.1
430.15750	3.3
430.21411	1.2
430.30948	5.6
431.15240	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	430.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01861	0.6
55.05510	1.8
57.07071	1.3
59.62558	0.4
61.88814	0.4
65.03945	1.8
65.22980	0.5
67.05513	3.4
68.65640	0.5
69.03429	2.1
69.07079	2.9
69.09636	1.4
69.10056	2.8
70.06581	0.4
71.05018	0.5
71.08628	0.4
79.05499	2.8
81.07056	4.3
83.04995	0.9
83.08599	0.5
91.05486	100.0
92.05818	2.6
93.07053	5.4
94.07370	0.6
95.04971	1.7
95.08613	4.3
96.08931	0.6
97.02905	4.7
97.06545	1.0
98.22627	1.0
99.04482	0.4
105.07037	3.2
106.07372	0.7
107.04974	0.9
107.08602	3.4
108.08125	21.3
109.06554	0.7
109.08492	0.5
109.10155	2.2
111.04453	2.3
111.08114	1.0
113.05990	0.7
119.08588	2.7
121.06519	2.4
121.10145	6.7
123.04446	5.6
123.08075	1.0
123.11688	1.1
125.06000	0.6
131.08580	3.7
133.10143	2.2
135.08060	1.4
135.11714	1.1
135.97510	0.5
137.05962	0.7
137.09644	0.5
139.11195	1.2
145.10129	1.2
147.08020	0.8
147.11687	1.2
149.09647	4.8
149.13261	0.8
157.10149	0.7
159.11722	0.8
161.13295	1.9
167.10692	4.2
171.11688	0.8
173.13284	0.8
175.11137	0.5
177.16470	0.5
189.12752	0.8
189.16524	0.8
189.84598	0.4
196.66321	0.5
197.69360	0.5
207.13867	0.6
217.12242	0.7
235.13258	0.6
246.18553	9.8
253.14380	3.4
264.16788	0.8
264.19601	14.6
264.22302	0.9
265.19965	1.0
321.47656	0.5
342.20703	6.9
385.31024	0.5
412.29221	1.3
430.30200	0.8
431.30826	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	2.9
67.05498	5.1
77.63494	1.5
81.07044	2.1
85.10192	2.0
91.05451	1.6
93.07041	1.9
98.22599	3.2
105.07059	1.7
109.10165	6.5
117.07043	1.9
119.08622	4.4
121.06505	13.2
122.07298	2.6
136.08847	14.1
137.09621	14.0
144.78368	1.7
147.13434	1.9
149.09619	4.1
164.07022	2.1
164.08347	32.0
165.09123	100.0
166.09486	6.9
177.09132	2.6
205.12259	6.7
206.12480	2.9
271.95642	1.7
290.61096	1.8
404.79776	2.0
425.28836	1.7
430.38031	71.8
431.38385	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	431.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	27.9
63.16562	0.9
66.41244	1.1
69.56245	0.9
70.06590	3.0
71.24747	1.2
71.95261	2.8
72.08154	1.7
84.08131	2.2
84.96038	12.1
86.09707	4.1
87.05582	1.0
91.05766	1.5
97.96817	1.2
98.97586	100.0
110.07172	1.6
110.97579	50.5
112.99110	6.9
116.98627	39.6
124.99168	1.8
126.97062	1.9
128.98605	45.0
129.10220	1.4
131.00180	6.5
134.99660	10.0
136.06137	1.3
140.98576	2.8
143.00154	6.9
144.98119	3.9
146.99663	18.8
149.01190	2.3
152.98599	1.6
158.99615	7.0
161.01195	6.0
162.99110	2.4
165.00749	1.5
168.98123	2.7
170.99664	7.3
175.49701	1.0
177.00719	7.2
186.99146	2.9
189.00693	8.8
193.98946	3.1
194.99579	1.4
195.90144	0.9
201.00719	4.1
207.61583	1.0
211.99924	16.3
214.98647	3.1
219.01762	52.6
221.98332	1.2
227.02138	1.6
229.00200	2.3
230.00992	63.5
231.01326	1.8
232.99623	1.5
237.02818	82.8
238.03105	2.1
241.00191	5.5
241.04015	1.3
243.01729	1.8
245.03323	4.8
247.01204	1.6
248.02037	22.0
255.01611	2.1
255.03918	3.9
259.01306	16.8
260.01965	1.1
260.04529	1.5
261.02826	2.3
262.65060	1.0
263.04718	1.2
267.01801	3.6
269.03275	9.2
271.01093	1.4
272.02066	3.7
273.02908	2.4
277.02344	1.1
280.02548	1.5
281.03342	4.9
283.04944	2.3
285.02798	5.6
287.04361	16.2
290.00955	3.1
293.03616	1.9
295.05182	1.6
299.04465	7.2
301.05963	3.6
308.01974	5.7
311.04364	8.3
313.05933	1.9
317.05518	1.8
323.04282	6.9
329.05466	5.5
337.02338	1.4
339.04099	1.2
341.05457	2.2
356.04248	7.4
357.04581	1.1
361.02380	1.1
371.06543	16.5
374.05212	4.9
389.07550	45.7
390.07916	2.2
407.08585	5.7
431.08603	30.1
431.14078	5.3
431.23984	1.4
432.08765	1.7
434.48544	1.0
449.09631	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	431.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	4.1
53.03948	11.6
55.01871	27.7
55.05513	16.0
57.03427	9.0
57.07080	3.1
61.02919	19.5
65.03925	13.5
67.05506	28.9
68.99789	34.6
69.03429	93.5
69.07053	9.5
71.01347	5.4
71.04994	59.6
71.31389	3.1
71.32014	2.3
72.05315	1.9
73.02898	7.2
77.03942	4.4
79.05489	39.2
81.03420	32.5
81.07053	27.1
83.04977	16.9
83.08610	3.1
85.02903	31.7
85.06544	11.9
86.09655	2.4
87.00830	30.2
87.04458	3.9
87.84618	1.8
88.58724	2.0
91.05472	65.1
92.05821	2.7
93.03395	24.8
93.07038	21.7
95.01327	15.4
95.04971	31.9
95.08609	14.1
97.02909	13.8
97.06549	14.6
99.04433	5.7
99.08123	2.2
103.03915	3.0
103.05466	9.1
105.01862	4.8
105.03395	4.3
105.04507	2.9
105.07032	36.3
107.04951	21.9
107.08588	10.7
109.02875	13.6
109.06535	10.2
109.10130	4.9
111.04455	11.2
111.08051	9.3
113.02367	4.6
115.03974	3.6
115.05450	30.3
116.06241	5.6
117.01839	3.1
117.07021	29.3
119.04941	8.8
119.08578	21.5
120.18797	1.7
121.06499	20.4
121.10129	4.3
123.04453	3.7
123.08062	6.9
123.11691	3.2
125.06020	3.6
125.09621	2.2
127.03928	10.1
127.05402	3.1
127.48827	2.1
128.06216	41.6
128.07112	3.8
129.01837	23.1
129.07008	49.0
130.07813	5.9
131.04922	13.2
131.08578	24.3
133.06503	14.0
133.10118	7.0
135.04475	4.1
135.08054	14.5
135.11691	3.0
137.05978	47.1
137.09642	2.4
139.03923	2.8
141.06979	45.3
142.07780	20.2
143.04921	3.8
143.08556	40.9
144.05701	12.2
145.06483	38.7
145.10138	16.0
146.07286	2.2
147.02934	5.9
147.04353	4.8
147.08047	15.4
147.11690	5.7
148.12042	5.8
149.05980	6.7
151.07573	4.2
152.06206	14.5
153.05643	3.0
153.06995	30.7
154.07780	19.4
155.04903	3.1
155.06039	4.8
155.08553	42.0
156.09251	6.8
157.06496	21.1
157.10124	22.0
158.07289	11.8
159.02870	4.3
159.08041	29.6
159.11646	9.4
160.08611	1.9
161.06003	10.9
161.09639	6.3
163.07520	13.5
165.05646	1.9
165.06993	44.8
165.09151	2.8
166.07771	21.2
167.07043	5.8
167.08524	32.3
168.05717	5.9
168.09325	10.6
169.06502	20.9
169.10121	33.8
170.07271	8.3
170.10794	2.3
171.03055	2.6
171.04457	3.1
171.08052	47.5
171.11662	6.0
171.38568	2.1
172.08815	6.1
173.06001	15.6
173.09615	13.1
173.13235	4.1
175.07541	9.1
177.08995	2.7
178.07774	22.8
179.07100	3.2
179.08546	28.5
180.09247	10.4
181.05003	2.8
181.06439	17.4
181.08585	3.3
181.10095	24.3
182.07259	11.0
182.10782	4.4
183.08069	30.1
183.11673	14.0
184.05148	2.1
184.08794	10.2
185.05989	8.5
185.09607	32.3
185.13200	7.6
186.10315	2.2
187.07541	19.4
187.11192	10.1
189.05484	3.1
189.07027	2.6
189.09029	3.2
190.07747	4.1
191.06955	3.7
191.08562	12.1
192.09392	11.5
193.10120	19.9
194.07198	7.2
194.10852	7.9
195.08029	29.4
195.11696	19.4
196.08757	11.6
197.05981	6.4
197.09610	35.1
197.13287	6.4
198.06766	3.1
198.10289	8.9
199.07539	23.1
199.09161	2.7
199.09515	2.6
199.11177	24.6
200.08167	4.7
200.11923	2.7
201.09125	11.6
201.12758	7.7
202.07800	4.6
202.09540	2.5
203.08553	7.4
204.09325	5.6
205.06729	2.3
205.10146	10.9
206.07224	3.5
206.10895	7.6
207.07977	12.2
207.11687	9.8
208.08792	8.8
209.09590	21.9
209.13197	5.4
210.06760	3.3
210.10307	8.2
211.07620	10.8
211.11154	26.5
212.08221	4.9
213.09160	15.1
213.12746	25.9
214.09840	2.7
215.06885	5.0
215.10510	9.7
215.14291	3.9
217.08488	2.4
217.10269	3.7
217.12209	4.5
219.08054	6.7
219.11642	5.7
220.08852	7.2
220.12384	2.4
221.09584	15.2
221.13217	5.8
222.10399	6.2
223.07593	5.8
223.11154	22.5
224.08318	5.1
224.11880	4.8
225.09100	17.2
225.12720	14.0
226.09889	3.3
226.13319	2.4
227.07005	2.6
227.10599	13.1
227.14304	6.8
228.11162	2.4
229.08418	4.0
229.12216	6.9
230.10808	3.6
231.11702	2.7
232.09009	2.8
233.09674	6.1
234.10385	5.3
235.07521	2.9
235.11162	9.0
235.14894	2.3
236.11806	3.3
237.09106	5.2
237.12700	18.0
238.13237	3.6
239.10675	13.2
239.14346	5.7
240.11566	2.9
241.08539	3.4
241.12238	26.8
242.12634	3.6
243.10136	4.5
243.13866	6.5
245.09508	3.1
247.11261	4.4
249.09097	3.9
249.12791	9.8
251.10605	4.3
251.14313	3.1
252.11620	2.2
253.08617	2.2
253.12189	11.2
254.12917	3.2
255.10085	4.4
255.13821	31.0
256.14471	3.2
257.11639	3.2
257.15338	6.7
263.10767	4.0
263.14297	8.4
264.14948	2.7
265.12274	8.2
267.10443	3.5
267.13803	16.9
269.11584	2.3
271.13367	3.8
273.14902	8.1
279.13858	3.0
281.15408	14.9
283.13284	5.8
285.11792	2.5
285.14825	28.2
291.13748	19.1
297.14783	3.2
299.16507	4.4
303.12274	3.0
309.14813	43.7
310.15033	2.6
327.15906	31.2
328.16125	2.5
341.13858	3.9
345.17044	17.8
351.15863	3.4
369.16888	6.3
387.17966	14.9
395.14963	5.7
413.15881	15.3
414.16135	2.8
431.16977	100.0
431.28696	4.8
432.17230	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.7
53.03949	6.8
55.01875	17.8
55.05506	9.3
57.03428	5.5
61.02932	10.5
61.28072	1.5
61.84169	1.7
62.24733	1.3
65.03947	9.7
67.05505	18.1
68.86384	1.6
68.99789	15.8
69.03429	100.0
69.07063	4.2
69.46359	8.9
70.03807	1.4
70.52903	1.4
70.82610	1.6
71.01347	3.3
71.04993	48.3
73.02921	1.9
77.03928	2.7
79.05490	27.4
81.02976	2.2
81.03414	23.0
81.07063	17.9
83.04988	11.8
83.08618	2.0
85.02901	18.3
85.06540	6.4
87.00834	18.6
87.04481	2.0
91.05482	45.2
93.03413	16.8
93.07037	17.8
95.01301	4.2
95.04982	17.9
95.08602	12.0
97.02877	9.5
97.06526	13.0
99.04432	3.1
103.03939	1.9
103.05480	7.8
105.03397	2.9
105.07034	27.8
105.97331	1.5
107.04962	12.9
107.08582	7.1
109.02874	10.4
109.06517	5.1
109.10180	3.6
111.04427	9.3
111.08012	3.3
113.02363	5.0
113.06030	2.8
115.03905	2.6
115.05447	18.8
116.06229	3.3
117.07021	24.4
118.18146	1.6
119.04929	6.9
119.08576	13.3
120.96241	1.4
121.02871	2.5
121.06475	12.1
121.10129	2.7
123.04437	3.4
123.08066	6.1
125.09651	1.7
127.03971	8.1
128.06226	28.9
129.01852	5.3
129.07018	28.4
130.07790	3.5
131.04924	9.2
131.08578	17.9
133.02925	1.4
133.06522	9.0
133.10114	6.2
135.04437	4.5
135.08015	7.6
135.11560	2.0
136.07579	5.3
137.05975	12.9
137.09673	3.3
141.06979	24.4
142.07773	11.3
143.04926	1.9
143.08572	24.7
144.05705	4.6
145.02769	2.4
145.06494	25.4
145.10135	12.8
147.04388	3.1
147.08038	11.5
147.11670	2.7
149.06003	4.1
149.09587	2.0
151.03874	1.9
151.07539	4.2
152.06160	8.4
153.06989	20.9
154.07762	11.8
155.06033	3.4
155.08560	30.3
156.09297	4.9
157.06503	14.2
157.10127	13.2
158.07201	4.9
159.02904	4.0
159.04449	4.5
159.08081	16.6
159.11742	4.5
161.05963	6.6
161.09622	5.1
161.13264	2.0
163.07527	6.8
163.11224	2.1
164.07085	4.9
165.05676	2.9
165.06998	26.5
165.09111	2.5
166.07802	10.2
167.07137	2.8
167.08537	24.3
168.05637	2.3
168.09300	6.4
169.06497	12.1
169.10147	19.8
170.07178	3.4
170.10878	1.8
171.04385	2.3
171.08057	28.5
171.11658	5.9
172.08815	2.7
173.05925	8.6
173.09627	10.5
175.07567	7.1
175.11247	3.2
177.05545	2.1
177.06975	2.2
178.07776	16.2
179.08543	21.0
180.09283	6.3
181.05034	1.8
181.06462	8.2
181.10109	16.3
182.07256	6.7
183.08070	17.5
183.11665	8.0
184.08810	4.7
185.05940	4.8
185.09630	14.3
185.13309	2.9
186.10432	1.7
187.07507	20.1
187.11189	5.7
189.07018	2.5
189.09105	5.9
190.07809	3.0
191.07028	2.5
191.08559	10.9
192.09381	7.0
193.10118	12.6
194.07187	2.5
194.10887	3.2
195.08096	18.1
195.11714	10.8
196.08798	6.0
197.06042	3.6
197.09624	20.2
197.13225	5.3
198.10411	5.1
199.07545	9.2
199.11183	13.3
201.05653	1.8
201.09155	8.2
201.12732	4.3
202.07765	4.3
203.08542	5.3
203.10339	1.7
204.09285	2.8
205.10130	4.9
206.07289	2.2
206.10759	2.9
207.08070	6.7
207.11697	6.2
208.08820	8.3
209.09604	12.2
209.13297	6.7
210.10320	2.9
211.07570	7.0
211.11172	15.4
211.14774	3.7
213.09146	8.9
213.12694	13.7
214.13196	2.0
215.08595	3.7
215.10692	5.2
215.14279	2.1
217.08510	2.8
217.12285	4.3
219.08211	2.3
219.11737	4.2
220.08862	3.5
221.09602	7.2
221.13158	2.3
222.10289	5.0
223.07559	3.6
223.11211	15.4
225.09103	7.5
225.12730	6.9
226.09904	4.4
227.10689	8.6
227.14279	2.6
229.08537	3.2
229.12289	4.3
231.13736	1.7
233.09674	2.6
234.10390	3.4
235.11206	5.1
235.14937	1.9
236.07945	2.0
237.09073	3.6
237.12770	9.4
238.09909	2.7
239.10738	8.2
239.14281	6.4
239.18011	1.7
241.08568	2.1
241.12263	18.4
243.10175	3.6
243.13823	2.5
245.09584	1.6
247.11287	2.3
249.09143	1.8
249.12704	5.3
250.09917	2.2
251.10683	2.3
251.14378	1.8
252.11409	2.2
253.12355	7.4
255.13768	24.9
256.14462	3.3
257.11795	1.8
257.15350	2.8
258.10266	2.5
263.10687	2.1
263.14270	3.4
265.12256	5.1
266.13055	2.4
267.13779	7.2
273.12363	1.1
273.14890	18.4
279.13818	2.4
281.15320	7.5
283.13306	2.6
284.14038	1.5
285.14838	12.2
291.13834	10.5
297.14944	2.8
299.16376	2.1
309.14822	26.5
310.15097	3.2
327.15866	17.4
341.13782	10.0
341.17401	1.9
345.17050	10.6
347.11365	2.1
369.17029	3.6
387.18118	12.5
395.14914	4.9
396.14960	1.7
413.16055	11.9
431.16956	85.2
431.29358	9.4
432.17435	7.2
459.15030	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47577	2.8
53.02671	2.9
67.05499	4.8
69.03437	4.4
69.50054	18.3
70.06573	3.8
71.04996	100.0
72.08167	5.2
74.67205	3.2
77.03924	7.1
78.42656	3.2
79.05532	6.6
81.03408	8.7
85.02892	3.6
85.06544	4.4
91.05492	24.2
93.03416	4.5
95.04983	6.8
97.02888	3.3
103.05486	5.8
103.23459	3.1
105.03403	3.2
105.07023	7.4
107.04957	4.1
115.05469	16.8
117.07015	5.8
121.06529	5.7
128.06236	10.4
129.07060	5.0
131.04900	4.5
131.08582	7.4
133.06523	3.6
141.07071	5.2
144.05649	5.5
145.06479	45.5
146.06880	3.6
153.06976	4.3
161.05992	7.0
171.08092	9.1
176.55716	3.6
215.10727	24.6
215.52762	3.2
233.11665	4.6
260.64191	3.2
263.54913	2.9
272.40811	3.1
305.16519	3.3
353.30673	3.1
362.08887	3.2
428.78012	3.8
431.15024	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	431.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.05268	0.8
55.05512	9.1
56.05032	1.3
57.05790	0.7
66.57829	0.4
67.05516	1.4
69.00348	1.2
69.00749	4.9
69.03434	2.2
69.07070	2.0
70.06590	1.1
71.04994	2.8
72.08155	100.0
73.08491	2.0
78.69917	0.5
79.05501	2.1
81.03416	1.7
81.07063	1.6
83.05025	1.2
84.04505	21.7
84.08126	1.7
85.02885	2.6
85.06554	0.6
86.09704	43.9
87.10028	0.9
90.05567	1.0
91.05479	1.8
93.07045	2.2
94.01918	0.5
95.04977	4.8
95.08565	0.7
96.04491	1.1
97.02886	1.4
97.06541	1.2
102.05538	13.7
102.06157	0.9
105.07043	2.3
107.04968	0.7
107.08589	1.2
109.06522	0.9
113.07148	1.6
117.07006	0.7
119.08591	1.0
121.06503	1.3
121.10171	1.7
125.06019	1.1
127.03912	1.0
128.06242	1.1
129.06538	4.0
129.10254	1.3
131.08626	0.6
133.06517	0.6
133.10193	0.7
137.05991	1.6
141.06615	3.3
143.11792	0.5
145.10107	1.7
147.08105	0.8
151.07594	1.2
152.10716	2.5
155.08142	0.7
163.07510	0.6
163.11223	0.8
170.11783	3.7
173.09648	0.8
181.12202	1.1
183.09926	0.5
185.16547	1.8
187.11177	0.9
189.12341	27.4
190.12744	0.8
191.10735	1.5
197.09856	0.7
197.12851	10.5
198.13133	0.8
199.18155	1.0
205.12270	1.0
209.11758	0.7
213.16034	1.7
215.13910	36.9
216.14320	1.4
225.12357	6.2
233.11708	1.2
243.13396	29.4
244.13757	1.0
251.12875	1.7
254.99182	0.5
269.13770	2.4
296.19720	4.9
324.19229	4.3
342.20148	3.2
387.16394	1.2
431.14673	1.8
431.19473	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3159
Annotation	SCHEMBL16574568
Peak:m/z	Relative Intensity
52.11280	3.1
53.03950	4.4
55.05513	30.9
57.07072	8.3
59.04996	3.4
65.03964	4.2
67.05500	27.9
67.83537	3.0
69.03435	6.4
69.07066	35.5
70.23526	5.9
70.23866	6.7
71.04993	4.9
79.05494	32.9
81.07064	70.6
82.07381	4.2
83.04956	7.0
83.08626	18.0
85.06549	11.1
91.05479	26.3
93.07050	70.1
95.04974	5.3
95.08614	93.5
97.06545	5.9
97.10165	8.0
99.04454	14.6
101.06000	5.8
105.07033	54.3
107.07883	2.9
107.08597	87.2
109.06524	14.3
109.10159	61.4
110.10500	3.7
111.08115	9.4
111.11755	3.4
117.07042	12.6
119.08586	79.9
121.06536	4.0
121.10145	88.9
123.08054	15.9
123.11710	35.2
125.09655	7.5
129.06952	4.2
130.07779	4.3
131.08580	20.6
133.10136	68.8
135.08038	9.0
135.11691	73.0
137.09622	58.5
137.13260	8.5
137.82428	3.7
143.08577	8.8
145.10121	46.7
147.08107	3.8
147.11691	45.9
149.09642	5.5
149.13251	31.2
151.11227	12.1
155.08530	4.8
156.09363	5.5
157.10146	17.8
159.11731	40.7
161.09677	8.2
161.13260	29.3
163.11208	14.3
163.14865	15.6
165.12796	4.7
169.10103	3.8
171.11682	17.5
173.09485	3.4
173.13239	23.4
175.11157	9.7
175.14819	21.7
177.12752	18.0
179.10559	3.9
179.14313	5.5
181.12248	5.3
183.11693	7.4
185.13266	16.4
187.11259	9.7
187.14832	18.0
189.12813	7.7
189.16405	32.1
191.10725	19.2
191.17946	47.7
193.10699	3.6
193.12225	19.3
195.13722	4.9
197.13405	6.8
199.14856	12.3
201.16388	21.8
203.17999	15.7
205.12265	25.4
207.13843	7.5
207.17497	11.0
211.14827	9.4
213.12674	3.9
213.16409	14.1
215.18013	12.0
217.19592	15.9
225.16400	5.9
227.17921	12.5
229.19534	11.7
231.21091	9.3
233.15379	5.8
241.19463	6.8
247.17146	3.3
247.20270	4.5
253.19534	6.9
255.21046	3.4
257.22681	15.1
266.65182	3.4
271.24176	5.0
273.18640	7.7
285.18314	3.6
311.20126	4.1
349.28958	32.2
367.29971	100.0
368.30280	11.0
385.31039	44.6
395.25314	4.7
395.29575	43.8
413.30655	72.1
414.30936	7.1
431.32086	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.316
Annotation	Plastoquinone 1
Peak:m/z	Relative Intensity
53.03946	1.8
55.01878	2.6
55.05510	13.6
57.07073	4.4
59.92764	1.2
65.03945	2.1
67.05174	2.0
67.05510	25.6
69.03436	2.0
69.07075	24.1
69.08210	10.3
71.05000	4.5
71.08607	1.1
72.83514	1.2
73.45038	1.1
79.05498	16.2
81.07062	46.2
83.05011	1.8
83.08612	11.1
85.02921	2.3
85.06551	3.1
91.05481	16.8
91.30583	1.6
93.06467	2.4
93.07050	41.7
94.07374	1.3
95.04979	4.1
95.08614	100.0
96.08949	2.4
97.06567	3.8
97.10174	5.5
99.04456	11.2
105.07034	27.9
106.56933	1.1
107.08600	47.7
108.08963	2.4
109.06538	4.6
109.10164	52.3
111.08070	2.6
111.11709	1.4
113.00035	5.5
113.06062	1.6
113.09631	1.3
117.07039	3.2
119.08592	35.3
120.96638	2.1
121.06561	2.2
121.10148	50.8
121.11018	2.6
121.89790	1.1
122.10515	2.1
123.08092	3.4
123.11716	20.8
125.06001	1.5
125.09655	1.5
127.07569	3.3
128.06198	1.6
129.07024	1.4
131.08606	9.3
133.10141	28.0
135.08083	1.4
135.11694	39.8
136.12000	1.9
137.09624	35.4
137.13269	10.3
138.09932	1.7
139.11215	1.7
142.07785	1.9
143.08623	2.6
145.10135	20.4
147.11696	23.4
149.09636	2.1
149.13269	21.5
149.14462	1.5
151.07585	1.2
151.11285	2.5
153.09148	1.4
155.10692	11.7
157.10136	4.7
159.11699	19.7
161.13274	21.8
163.11212	5.6
163.14810	7.3
165.09109	8.9
167.10727	1.5
169.02640	5.6
169.10184	1.6
171.11736	4.4
173.13269	13.6
174.13890	1.9
175.11253	2.1
175.14835	18.7
177.12793	4.9
177.16425	7.1
179.14442	1.3
179.71800	1.5
181.12305	1.4
183.10182	37.6
183.11479	1.8
184.10570	1.2
185.13332	2.8
187.11267	1.5
187.14832	10.3
189.16412	18.7
190.16777	1.8
191.10655	2.8
191.14343	3.8
191.17966	37.3
192.18274	2.5
197.11824	3.7
199.14888	3.3
201.11238	2.1
201.16385	6.8
203.17918	9.5
205.12350	3.1
205.19571	1.4
209.15504	2.5
213.16406	2.5
215.17940	2.4
217.16014	1.6
217.19518	18.7
218.19695	1.3
219.13844	4.8
223.13205	2.4
225.16347	2.0
228.84331	1.3
229.19618	5.7
230.20349	1.4
231.21077	31.4
232.21548	2.2
233.15366	1.9
236.31232	1.3
237.14824	2.6
245.15477	3.5
247.17110	1.5
257.22681	3.0
259.16913	3.0
273.08789	1.4
273.18646	1.5
283.24112	1.5
295.19058	2.5
347.22351	2.3
349.23773	2.1
361.23999	2.6
375.25391	2.2
385.31201	4.2
395.29526	7.1
413.30466	19.7
414.30707	1.4
431.31613	67.7
432.31949	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	431.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.05511	13.8
56.57677	0.8
57.03429	3.4
57.07083	4.8
65.03926	1.4
67.05508	27.2
69.03427	1.6
69.07071	22.8
71.04986	3.5
71.08630	2.2
75.15638	0.8
76.60908	1.1
78.73737	1.0
79.05059	1.2
79.05492	13.7
81.07061	44.9
82.07419	1.2
83.04987	1.6
83.08612	10.1
85.02892	1.1
85.06532	2.8
91.05477	16.1
93.07045	38.7
95.04984	5.5
95.08611	100.0
96.08942	2.7
97.06532	4.3
97.10174	6.9
98.23425	1.8
99.04451	8.8
101.06030	1.2
105.07034	27.9
107.08600	48.2
108.08898	1.0
109.06525	4.5
109.10159	51.8
110.10503	1.9
111.08101	2.8
111.11731	1.6
113.00020	49.5
113.05886	1.0
113.09715	1.0
117.07018	4.6
119.08588	38.0
120.08929	1.2
120.96597	1.7
121.06494	1.2
121.10146	47.6
123.08055	2.5
123.11710	19.4
125.05974	3.2
125.09599	1.5
127.07552	2.4
129.06966	1.4
131.08598	10.0
133.10139	26.1
134.10452	1.6
135.08047	1.9
135.11702	34.5
136.12057	1.2
137.09621	33.7
137.13257	9.8
138.09966	1.5
139.07506	1.3
143.08542	2.3
145.10135	20.8
147.10614	1.9
147.11699	25.2
148.12083	1.0
149.09616	2.2
149.13258	23.8
150.13577	1.2
151.07559	1.4
151.11182	3.8
151.14792	1.9
153.09106	1.3
155.07080	1.2
155.10678	11.9
157.10156	3.1
159.11714	18.6
161.09619	1.4
161.13264	19.5
162.13695	1.0
163.11221	5.5
163.14816	8.6
165.09148	8.7
165.12692	1.1
169.02620	42.8
170.02936	1.8
171.11723	2.9
173.13255	10.3
175.11203	1.5
175.14857	16.2
177.12733	4.1
177.16367	5.4
179.10709	1.9
181.12263	1.0
183.10182	37.9
183.11526	1.5
185.13243	3.2
187.14819	8.0
189.16402	17.0
191.10698	2.9
191.14337	3.4
191.17955	36.7
192.18304	1.6
193.12317	1.2
195.13844	1.5
197.11700	2.7
199.14867	2.2
201.12909	1.2
201.16403	4.5
203.14578	1.1
203.17920	7.8
205.12270	2.6
205.15753	1.2
205.19597	1.5
209.11656	1.3
209.15372	1.8
211.14960	1.0
213.16327	2.0
215.14371	1.1
215.17995	4.0
217.19533	16.5
218.19733	1.2
219.11967	1.1
219.13867	3.5
221.64665	1.0
223.13258	2.0
225.16292	1.3
229.19540	4.5
231.21080	32.9
232.21399	1.9
235.16861	1.1
237.14777	1.9
243.21220	1.7
245.15367	1.9
245.22687	2.0
257.15366	1.3
257.22729	2.3
259.17072	1.8
263.16632	1.4
263.23706	3.3
281.17358	1.2
289.17853	1.2
293.17392	1.6
295.18936	2.4
297.22278	1.0
307.19122	2.3
311.25842	1.2
313.21912	1.2
321.20697	1.2
325.25360	1.4
335.22147	1.2
347.22153	1.4
349.23840	1.8
361.23535	3.2
375.25302	2.6
385.31046	5.7
389.26538	1.3
395.29321	3.4
413.30353	12.9
414.31049	1.2
431.22064	2.0
431.31534	51.3
432.31946	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44207	1.9
51.48024	2.3
53.03952	3.1
55.05518	28.2
57.07080	9.1
65.03953	2.4
67.05508	28.6
69.03436	3.7
69.07071	42.3
71.05013	4.9
71.31548	3.4
79.05497	34.2
81.07058	73.8
83.08617	18.1
85.06563	7.5
91.05475	29.8
93.07049	66.3
95.04976	6.7
95.08610	83.3
96.08922	3.1
97.06535	5.1
97.10190	8.3
99.04486	4.4
99.08092	2.8
103.61639	2.4
105.07028	54.5
106.07352	2.3
107.07855	4.9
107.08595	100.0
108.08952	3.1
109.06540	7.3
109.10154	54.6
111.08082	4.0
111.11739	5.1
113.00043	5.1
117.07043	10.3
119.08585	58.6
120.08968	5.3
121.06547	4.8
121.10144	78.0
122.10460	2.7
123.08100	9.2
123.11719	31.9
125.09609	4.2
127.07534	3.2
129.06981	2.9
131.08591	17.4
133.10139	43.1
134.10503	3.6
135.08040	5.9
135.11691	70.8
136.11961	2.4
137.09647	4.4
137.13289	10.2
139.11217	6.1
143.08580	7.7
145.06503	2.3
145.10153	30.4
147.11696	42.8
149.09650	4.4
149.13281	33.4
151.11234	2.6
157.10161	8.9
159.11681	30.5
160.12148	2.7
161.09630	5.0
161.13255	34.2
163.11171	12.3
163.14824	16.0
165.09096	3.6
165.12790	4.4
169.02605	3.5
171.11684	8.9
173.13235	19.0
175.11258	2.8
175.14789	18.4
177.12752	8.5
177.16409	7.4
179.10661	6.3
183.11806	3.0
184.61655	2.4
185.13306	8.3
186.13846	2.5
187.11162	3.4
187.14841	16.4
189.12770	4.6
189.16370	21.9
191.08961	4.4
191.10643	27.7
191.14377	3.8
191.17993	9.4
195.11882	2.5
195.13841	5.3
197.13370	4.7
199.14838	6.8
201.16428	12.2
203.14249	2.6
203.17999	15.4
205.12263	7.5
205.15961	2.7
212.15680	2.6
213.16400	5.8
215.14445	2.5
215.17972	12.7
217.15962	3.5
217.19498	40.4
219.13789	2.9
219.17528	3.0
225.16592	2.6
227.17958	5.6
229.15883	3.0
229.19522	6.9
231.13846	3.1
233.15373	5.7
233.18982	3.2
235.16843	3.1
241.15881	3.6
243.17499	2.6
255.21071	5.6
257.19046	2.2
261.18976	2.4
261.22018	2.4
271.20453	2.5
275.20294	3.2
283.20667	2.7
299.20139	3.9
325.21664	4.8
339.23190	2.6
347.22305	2.6
367.30026	5.6
377.28235	3.2
385.31128	29.1
386.31113	4.2
395.29358	21.7
413.30304	23.5
413.35181	2.1
431.31613	39.7
432.31717	5.5
448.74744	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
53.06928	0.7
53.21033	1.1
55.01870	3.4
55.05516	1.6
57.03431	2.5
61.02936	2.3
65.03946	1.7
67.05508	1.8
68.99790	1.4
69.03437	8.7
69.48283	2.4
69.48692	3.1
71.01334	0.9
71.05012	1.6
73.02930	7.1
77.03947	1.4
79.05502	12.4
81.03418	4.0
81.07057	1.9
83.04978	1.5
85.02907	17.2
87.00851	4.0
91.05484	27.9
93.07042	6.8
95.04961	4.6
95.08641	0.8
97.02905	8.0
98.22638	1.9
99.04470	1.7
102.27120	0.8
103.03929	1.2
103.05484	4.4
105.01876	4.9
105.04506	1.2
105.07050	6.3
107.04956	8.2
107.08584	1.3
108.04501	0.9
109.02876	4.8
109.06515	1.3
111.04439	1.3
115.03975	1.3
115.05475	3.0
116.06241	2.9
117.07046	2.0
119.04937	3.1
119.08584	1.4
121.02930	0.9
121.06518	16.6
127.03916	9.5
128.06192	0.9
129.01828	1.0
129.07048	1.4
131.08591	1.5
133.04988	2.5
133.06070	0.7
145.04936	5.0
145.06525	1.6
145.10159	1.7
147.04422	1.0
147.11737	1.1
149.09630	37.7
150.10022	1.5
153.01878	5.1
159.02904	2.1
159.11632	0.9
163.06035	1.8
163.07513	1.0
181.04958	1.3
187.11246	1.2
189.09233	0.9
191.10695	4.1
231.04965	1.1
243.96475	0.8
250.56789	0.8
270.87558	0.8
271.06021	100.0
305.78665	0.8
451.38098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77412	3.2
56.05034	3.1
56.96562	13.0
57.03437	3.7
60.04532	16.2
61.02924	5.9
64.78156	2.6
65.47077	2.8
69.03445	18.4
70.06586	8.4
72.08150	8.8
73.02921	5.8
73.06556	9.9
74.06078	3.4
81.03440	4.8
84.04514	6.7
84.08146	23.5
85.02912	50.7
86.09713	24.2
91.03981	3.6
97.02888	18.4
98.97588	39.1
99.04479	3.4
102.05548	3.9
110.07178	3.5
110.97572	8.8
116.98640	18.1
120.08090	9.4
121.06496	3.0
127.03903	20.9
128.98615	6.2
129.10240	19.4
130.93390	3.7
133.06119	3.4
134.99667	3.8
138.09134	12.4
143.00247	3.4
145.04968	24.6
147.04440	3.8
154.93254	3.8
156.07620	4.2
163.06035	8.0
170.99483	3.7
172.94327	4.4
186.04361	4.5
198.04443	5.4
200.13922	3.7
216.05440	4.1
216.98685	9.7
219.01804	12.0
228.98674	9.8
232.96449	4.2
233.06549	3.0
237.02829	10.1
256.96436	3.1
270.13425	8.8
274.97556	19.7
292.98544	11.8
301.00851	3.8
319.01840	7.5
331.00320	3.2
349.06793	3.0
353.38776	3.3
357.01147	3.5
372.09692	8.7
376.95554	3.1
390.10794	3.7
391.07742	5.7
432.10995	30.4
432.15796	3.5
432.19440	3.4
432.24747	4.7
433.10941	7.4
433.16791	100.0
454.20462	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	432.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.1
55.01876	10.7
55.05502	12.1
57.03428	5.4
57.08429	3.7
61.02917	6.1
61.46415	3.6
65.03938	12.2
67.05489	20.3
69.02570	24.8
69.02974	7.8
69.03416	17.7
70.95111	3.4
71.04993	48.3
72.08162	6.5
77.96349	3.4
79.05499	52.1
81.03416	6.7
81.07043	9.9
83.04985	17.4
85.02900	47.1
86.09718	5.6
91.05480	91.9
92.61898	3.6
93.03393	5.4
93.07044	16.4
95.04967	81.8
95.08645	5.0
97.02908	10.2
97.06522	13.4
98.22616	7.5
103.05456	9.9
105.04545	6.2
105.07018	44.0
107.04945	23.5
107.08595	4.4
109.02885	54.8
115.05467	43.0
116.06206	5.9
117.07023	49.5
119.04939	9.4
119.08570	11.4
121.06495	9.6
127.03915	5.8
127.07560	5.2
128.06218	64.8
129.07005	100.0
130.07687	4.7
131.04944	7.2
131.08559	27.0
133.06499	17.8
135.08051	7.6
137.05977	4.3
141.06987	33.6
142.07764	31.6
143.08582	25.8
145.04942	5.2
145.06470	17.5
145.10081	5.2
147.08025	12.2
151.07527	5.6
152.06178	7.9
153.06985	17.0
154.07732	6.3
155.05988	6.0
155.08597	24.8
156.09323	12.3
157.06494	6.0
157.10132	24.0
158.07227	11.9
159.08044	18.4
165.06998	22.2
166.07727	17.4
169.06502	8.8
169.10072	5.4
171.08049	26.7
171.11653	4.5
173.09630	19.1
174.10225	5.3
175.07584	11.1
184.08908	7.7
185.09665	5.9
199.11177	43.1
217.12256	23.6
219.64281	3.9
235.13295	8.8
271.05988	68.6
432.22925	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	432.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.2
55.01860	16.4
55.05505	14.6
65.03936	15.1
67.05477	16.9
69.03423	16.9
69.62907	42.5
71.04998	75.1
79.05490	80.8
80.98945	9.6
83.04957	29.6
85.02913	54.9
91.05470	92.3
93.03407	10.2
93.07014	17.4
95.04966	100.0
97.02901	10.1
97.06525	27.1
98.22715	12.7
105.07021	33.6
107.04959	26.5
107.08634	8.9
109.02891	53.0
111.04457	13.2
113.17646	9.1
115.05486	47.8
115.07551	9.1
117.07042	56.6
121.06460	11.1
128.06210	79.9
129.07018	97.3
131.08539	41.1
133.06496	31.5
135.08006	13.9
141.06921	46.3
142.07774	33.5
143.08528	31.7
145.06483	22.7
147.08095	19.7
153.07021	19.2
155.08546	20.9
156.09349	23.4
157.06445	13.6
157.10103	28.8
158.07234	11.8
159.08084	10.8
165.06999	26.4
166.07742	18.0
167.30968	9.0
171.08038	42.1
173.09624	11.9
199.11137	45.7
217.12202	22.4
260.59067	9.6
300.11182	11.8
331.20908	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	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	20.8
54.99506	7.8
55.01873	80.2
55.05507	22.9
57.03425	11.3
63.76204	7.7
65.10520	7.1
66.66794	8.0
67.05498	63.0
68.77045	7.0
68.99788	17.9
69.03432	39.1
69.07079	8.1
69.35617	8.3
69.57188	38.1
70.06570	11.5
71.04996	35.1
72.08149	8.5
73.02918	21.6
74.54189	7.5
77.03909	8.9
79.05499	85.7
81.03411	29.8
81.07055	54.8
83.05005	22.9
84.04523	8.6
84.08117	7.5
85.02898	85.6
85.06553	8.3
86.09735	19.1
87.04446	15.5
91.05473	76.5
93.07038	45.4
95.04967	42.5
95.08595	100.0
97.02895	36.6
97.06509	37.8
99.04460	23.3
99.08105	33.9
103.05465	41.6
105.04505	9.7
105.07020	63.5
107.04967	29.0
107.08604	21.1
109.02927	9.3
109.06506	27.6
109.10162	23.6
111.08056	60.4
115.03929	13.4
115.05479	10.1
117.06994	19.4
119.04889	11.5
119.08561	55.4
121.06516	18.3
121.10122	20.9
123.04437	11.2
123.08055	27.5
125.02364	22.1
125.05997	17.2
127.03948	21.7
128.06245	22.5
129.07048	38.1
129.10278	7.5
131.08575	32.1
133.04941	9.2
133.06512	22.1
133.10153	26.8
135.04468	9.6
135.08078	9.5
137.05995	42.1
137.09644	23.7
139.07486	10.2
143.08612	23.0
145.04945	11.3
145.06535	8.9
145.10117	24.4
147.08038	29.0
147.11671	29.8
149.05957	12.0
149.09666	13.5
153.05420	51.4
155.10397	7.7
157.10139	23.0
159.11687	11.2
161.06000	12.7
161.13345	10.4
167.07130	11.7
171.11615	17.6
175.07576	17.0
175.11177	55.6
181.04956	16.4
189.12779	18.1
193.12215	23.6
199.28203	7.5
217.12207	17.0
217.15973	26.6
235.13269	18.3
253.14299	39.1
271.06082	36.5
348.06323	8.3
425.11783	9.5
432.18924	10.8
433.18546	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.1
53.34798	9.5
55.05522	18.3
65.03960	14.2
67.05498	36.6
70.48618	16.0
71.04988	100.0
72.08162	57.1
75.49301	9.0
76.43720	9.2
79.05491	33.4
81.03407	18.7
81.07043	10.9
83.04947	10.3
84.04540	13.6
85.02905	30.6
86.09712	60.2
91.05473	36.3
95.04991	16.6
97.06532	26.0
105.07044	18.9
107.04952	11.7
115.05476	13.4
117.07036	16.7
119.62010	9.3
121.06487	37.7
128.06250	27.7
129.07025	26.1
141.06975	11.9
143.08588	11.6
153.06999	15.2
155.05945	11.8
163.03899	12.3
181.05019	18.6
215.14093	12.2
250.55246	9.8
271.05991	23.7
328.48376	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99137	0.2
53.03936	0.4
55.01854	0.4
55.05503	0.6
57.03411	0.3
61.02922	0.3
63.63641	0.3
67.01867	0.5
67.05497	0.6
68.99798	0.4
69.03420	1.0
69.07059	1.0
70.43761	0.6
71.04993	0.4
73.02916	0.8
74.30004	0.2
77.03925	0.3
79.05479	0.7
81.03412	0.5
81.07037	0.4
83.04980	0.5
85.02921	1.5
91.05489	2.0
93.07047	0.7
95.04980	0.6
95.08613	0.4
97.02903	0.9
97.06523	0.7
105.07017	0.7
107.04952	0.6
107.08579	0.4
109.02915	0.4
109.10146	0.4
115.03135	0.2
115.03907	0.3
119.04937	3.0
121.02866	0.7
121.06493	1.5
121.10155	0.6
127.03941	0.6
133.04926	0.4
133.06464	0.3
145.02870	0.7
145.04980	0.6
147.04419	2.4
149.09628	0.5
153.01825	5.6
162.09920	0.3
163.03960	0.4
167.07040	0.5
171.02953	0.4
181.04933	1.5
203.07127	0.3
205.07033	0.4
217.12286	1.0
221.08083	0.4
225.05373	0.3
235.13327	1.7
243.06514	0.5
271.06006	100.0
287.75403	0.2
308.43994	0.2
316.69299	0.3
403.13843	0.6
431.78061	0.3
432.17532	0.4
433.17062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04544	1.1
55.01865	1.3
55.05505	6.9
60.04530	2.8
61.02946	1.2
67.05502	2.9
69.03423	3.4
69.07074	4.5
70.06604	5.7
71.04991	3.2
71.08614	1.0
71.16649	2.2
72.08151	10.6
79.05500	3.5
81.03421	2.5
81.07055	4.3
83.04978	6.8
83.08633	3.3
84.04493	1.9
84.08141	4.1
84.34966	1.1
85.02912	5.7
85.06544	1.5
86.06126	1.4
86.09708	15.1
91.05486	8.1
93.03386	1.5
93.07047	4.8
95.04963	3.1
95.08611	6.2
97.02900	2.2
105.07035	20.0
107.08598	9.1
109.02876	1.3
109.06512	2.6
109.10136	2.8
110.07190	1.3
111.08072	1.6
117.07008	4.1
119.08582	43.9
120.08871	1.9
121.06474	1.7
121.10181	5.5
123.08063	4.3
124.07607	3.0
125.06035	1.3
127.03906	2.1
128.06224	1.9
129.07031	2.6
129.10251	3.9
131.08588	7.7
133.06508	1.6
133.10126	13.2
135.08026	2.1
142.07758	11.5
143.08536	2.9
145.10118	6.4
147.04420	2.0
147.08041	1.9
147.11693	18.6
151.03862	1.2
151.11186	2.4
157.10127	51.9
158.10547	2.6
159.11668	11.6
160.12155	1.9
161.09619	2.9
161.13252	2.4
171.11632	4.0
173.09549	1.4
173.13254	7.6
175.11208	9.6
175.14822	2.8
178.04839	1.3
179.06877	1.3
189.16383	23.6
199.14815	13.1
217.15884	100.0
218.16354	6.1
235.16936	33.2
236.17123	1.6
247.13019	1.7
259.85516	1.2
270.07614	22.6
270.14005	2.9
271.05988	4.7
279.79227	1.4
301.12546	4.1
313.02246	1.4
389.17688	2.3
432.14966	5.5
432.25760	2.1
433.16779	58.9
437.08841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57442	3.6
55.05513	9.8
55.73051	3.2
57.07084	5.0
67.05499	11.5
67.87840	3.8
69.07079	30.9
71.32520	4.9
79.05499	10.2
81.07062	26.5
82.81406	3.8
83.08620	6.3
89.28690	3.9
91.05518	9.2
93.07051	19.4
95.08604	31.6
97.10168	5.3
101.81268	3.8
105.07027	18.3
107.08599	38.2
109.10140	23.3
111.11761	6.0
113.00043	14.7
119.08576	26.4
120.00760	4.0
121.10159	27.9
123.08062	7.4
123.11707	13.6
131.08546	3.9
133.10155	26.9
135.11717	16.0
137.13271	8.7
143.08594	6.3
145.10112	14.4
147.11678	14.0
157.10129	6.4
159.11700	12.9
161.13260	9.3
169.02582	19.3
173.13264	4.3
175.14899	8.9
177.12766	6.3
177.16373	7.8
179.10709	3.8
187.14920	6.0
189.16360	4.7
191.17938	5.6
195.13872	9.2
195.98410	3.6
201.16391	16.3
203.17975	11.6
205.12285	3.8
205.19756	4.2
217.19522	32.8
219.13928	6.9
233.19095	5.4
271.06000	22.3
287.20041	12.9
374.15247	6.8
375.15994	6.6
379.29959	11.5
389.17615	9.3
397.31046	59.7
398.31317	11.6
403.19339	4.9
405.20648	6.1
415.31876	16.3
417.16800	14.0
432.19009	100.0
432.34946	5.9
433.20367	29.7
433.31317	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	433.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71523	0.7
56.96565	6.7
59.74525	0.7
60.04530	3.7
69.03409	1.1
69.42909	2.9
69.43321	1.6
70.06585	1.2
70.27928	0.6
71.95282	0.6
72.08149	2.0
76.86469	0.7
77.55077	0.7
84.08145	4.6
85.02885	2.1
85.08464	0.9
85.48469	0.6
86.09705	2.1
98.23368	1.3
98.97585	24.5
101.00826	0.6
110.97577	8.9
112.99147	1.3
116.98611	11.1
119.01887	1.2
120.97910	0.6
128.98625	8.5
129.10216	3.5
130.93292	2.4
131.01907	1.4
132.96568	0.8
134.99669	4.1
138.95540	1.0
143.00186	0.9
143.01881	3.4
146.99631	2.9
154.93306	1.5
155.00105	1.1
156.96571	6.4
157.03389	0.6
158.99696	3.1
160.96170	0.7
161.03014	3.3
172.94322	3.6
173.01364	1.2
174.96106	0.8
174.97662	17.6
176.12531	0.7
177.00755	2.1
180.96620	2.2
190.95439	3.2
192.96875	1.5
192.98682	8.8
198.97638	21.2
199.97737	0.8
200.99225	2.5
201.00937	0.9
202.97122	2.3
203.00662	1.1
203.03987	1.5
204.96971	1.4
210.97659	13.2
210.99469	0.6
212.23247	0.6
212.97371	0.8
212.99229	1.5
214.95502	3.3
216.98711	100.0
217.98901	5.0
218.98352	1.0
219.01828	2.3
220.09267	0.8
220.98190	0.8
222.97894	0.9
223.01236	1.3
224.99174	1.6
226.97166	1.4
227.00766	3.2
228.98706	40.4
229.02374	2.3
229.98810	2.0
231.00281	3.3
232.96428	4.1
233.01764	0.9
234.99751	32.5
235.99918	2.0
237.02917	1.5
240.00128	1.1
240.98709	9.4
243.00291	13.2
244.98323	4.5
245.01862	6.6
246.97440	0.9
246.99722	13.6
247.03560	7.1
247.99820	1.0
249.01237	1.0
250.97481	1.7
252.98730	9.0
256.96326	1.2
257.01566	0.7
258.99771	22.6
259.99881	1.1
261.01505	3.4
262.99283	2.2
263.02792	1.4
264.98932	1.0
265.04614	3.1
269.01822	0.9
270.99777	27.5
271.03088	1.9
271.99963	1.5
272.11322	0.8
274.97467	8.8
277.00723	4.3
282.99811	5.7
283.03442	2.4
287.02673	1.2
289.00797	7.0
289.04456	2.6
290.97009	1.0
292.98569	4.5
300.97348	1.0
301.00806	19.5
301.04449	4.9
302.00922	1.6
313.04419	5.9
314.04922	0.7
319.01871	33.8
320.01938	2.4
330.96561	1.5
331.05524	7.9
337.02951	7.1
342.03290	0.7
343.05493	4.9
349.06635	6.0
361.02667	0.8
361.06577	2.8
372.97369	2.1
373.01859	1.3
373.06516	12.5
374.07266	0.9
391.07620	51.2
392.07690	4.3
409.08746	12.4
414.09003	1.0
414.95261	0.9
432.25427	0.8
433.08575	17.0
433.16891	3.3
434.08771	1.5
451.09787	20.0
451.16171	1.2
452.09961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
54.28063	0.1
62.95912	0.1
67.01860	0.5
68.99767	0.4
69.15032	0.3
69.15431	0.1
85.02917	0.1
91.05471	0.5
111.00784	0.1
116.50294	0.1
117.74192	0.1
119.04944	2.3
120.05209	0.1
121.02871	0.6
125.02367	0.1
129.01826	0.1
141.06996	0.1
145.02817	0.7
153.01825	5.5
154.02133	0.1
163.03906	0.5
169.06516	0.1
171.02879	0.4
173.05966	0.1
181.05000	0.1
187.03920	0.2
197.06000	0.1
203.07071	0.1
225.05368	0.3
226.05701	0.1
229.05064	0.3
230.05333	0.1
243.06458	0.4
247.06079	0.1
271.05991	100.0
272.06332	6.7
433.11481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03943	0.1
55.01877	0.2
55.05503	0.1
56.05025	0.1
57.03424	0.1
59.89025	0.1
60.04526	0.1
65.03925	0.1
65.70351	0.1
67.01863	0.5
67.05490	0.2
68.99766	0.4
69.03421	0.4
69.07063	0.1
70.06553	0.1
71.04986	0.2
71.31274	0.1
72.08154	0.2
74.97191	0.1
79.05482	0.2
81.03413	0.2
81.07052	0.2
83.04974	0.1
84.04510	0.1
84.08146	0.1
85.02906	0.6
85.06527	0.1
86.09705	0.5
91.05486	0.9
92.05814	0.1
93.07056	0.2
95.04974	0.2
97.02876	0.1
97.06514	0.2
98.06879	0.1
103.05475	0.1
105.07027	0.2
107.04945	0.1
107.08533	0.1
109.02876	0.2
109.06541	0.1
111.00815	0.1
111.04441	0.1
115.05409	0.1
115.07595	0.1
117.07011	0.1
119.04948	2.3
119.08565	0.1
121.02859	0.6
121.06510	0.1
123.04400	0.1
125.02317	0.1
127.03917	0.2
127.07536	0.4
128.06218	0.1
129.01759	0.1
129.07074	0.1
130.07327	0.1
131.04929	0.3
133.06494	0.1
136.76166	0.1
137.05927	0.1
141.06979	0.2
145.02852	0.7
145.06519	0.1
151.07500	0.1
153.01826	5.4
153.72887	0.1
154.02214	0.1
157.06432	0.1
161.05997	0.1
163.03929	0.6
163.07559	0.2
167.07027	0.2
169.06575	0.1
171.02893	0.4
181.04950	0.7
187.03888	0.1
187.14418	0.2
193.67914	0.1
201.05547	0.1
203.07004	0.2
215.07207	0.1
215.13988	0.1
219.13551	0.1
221.08055	0.2
225.05418	0.3
229.04951	0.3
229.07190	0.1
235.13333	0.1
243.06493	0.4
247.06137	0.1
249.07756	0.1
253.04955	0.1
271.06000	100.0
272.06345	6.1
283.05856	0.1
361.39105	0.1
403.13928	0.3
433.11044	0.2
433.16309	0.3
453.24158	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	433.1474
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.03934	3.3
55.01873	4.3
55.05511	3.2
56.90626	2.2
56.96550	2.7
57.03429	4.8
59.14809	2.5
61.02929	3.3
63.57345	2.5
67.05505	8.2
69.03436	11.0
69.07061	3.5
70.06596	5.4
70.33257	7.0
71.05002	4.6
72.08150	4.1
73.02921	13.2
73.97250	2.1
79.05488	9.6
81.07062	14.3
85.02914	21.7
86.09700	16.9
87.10072	2.7
91.05491	14.1
93.07037	8.7
95.04976	7.2
95.08607	6.2
97.02910	9.3
97.06550	2.8
98.97598	8.6
99.04453	3.0
105.07024	23.8
107.04969	8.4
107.08606	5.1
109.02943	2.4
109.10157	6.6
111.08083	7.0
115.03927	5.5
115.05477	4.8
116.98617	4.9
117.07035	6.3
119.08580	16.5
120.08115	3.6
121.06577	2.7
121.10181	4.1
127.03943	7.2
128.06201	3.0
128.98608	2.3
129.06993	5.4
131.04971	2.7
131.08585	17.0
133.06517	5.0
133.10098	4.2
135.08041	3.0
137.06001	5.8
141.06981	2.6
142.07813	7.7
143.08562	15.8
145.05000	8.7
145.06511	3.5
145.10144	13.3
147.11726	2.7
149.05972	3.5
155.07263	2.3
155.08582	9.0
156.09319	3.5
157.10135	13.4
159.08060	5.1
159.11737	10.2
161.06007	7.2
161.13289	3.0
163.06049	4.6
167.07095	11.2
167.08511	5.2
168.09341	5.4
169.10132	10.2
171.11719	8.4
173.09724	3.3
173.13216	7.8
181.04968	43.1
181.06458	3.7
181.10120	4.0
183.06630	3.3
183.11723	19.2
185.13275	29.1
187.11009	3.3
187.14877	7.4
193.08739	4.8
195.11700	6.6
197.13248	16.1
199.14876	7.7
201.12589	3.3
203.14291	2.9
207.11775	3.0
209.13252	4.7
211.13269	3.9
212.04561	2.4
215.14238	5.4
219.01833	4.0
221.08124	9.2
223.14813	3.5
225.16420	3.2
237.02863	5.1
249.07607	5.4
271.06091	8.7
277.19455	2.4
297.07806	3.7
301.09680	5.8
301.19534	2.3
308.22543	2.2
309.07800	2.4
319.10608	4.8
387.26691	4.0
397.25861	2.8
403.13986	13.3
415.26566	7.3
433.14697	100.0
433.27539	45.3
434.15018	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	433.1495
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03939	2.5
55.01866	3.5
55.05503	1.1
57.03439	1.5
59.74768	0.7
61.02913	2.0
65.03938	8.1
67.05503	4.7
69.03430	5.4
69.07058	1.9
70.70628	0.6
71.04433	1.1
71.04990	2.6
72.08137	1.7
73.02915	5.4
79.05495	10.6
81.03424	1.9
81.07042	2.2
82.04191	2.7
83.04955	1.0
83.08578	0.7
85.02905	14.9
85.06564	0.7
86.09703	2.3
91.05496	3.3
93.03397	2.7
93.07029	1.9
95.04964	9.1
95.08616	1.3
97.02895	5.9
97.06534	5.3
99.04445	1.6
103.05409	0.9
104.18492	0.7
105.06371	1.3
105.07032	18.0
107.04283	1.3
107.04963	17.5
107.08591	2.0
109.02853	1.6
109.06541	0.9
109.10178	1.0
110.03662	3.8
111.04436	2.1
111.08092	2.2
112.02776	0.7
115.03909	2.5
115.05447	2.3
117.07011	1.5
119.08582	2.1
121.06501	2.6
121.10141	1.0
122.03563	0.6
123.04422	5.6
123.11717	1.1
124.05193	3.2
125.05994	4.0
125.09521	0.7
127.03963	3.4
127.11213	0.7
130.96292	0.7
131.04900	1.4
131.08565	1.0
133.04962	2.4
133.06477	8.5
137.05989	2.3
138.03087	1.8
139.07593	0.9
140.04683	1.1
142.02597	3.3
145.04941	5.1
145.06467	1.0
145.10216	0.8
147.04358	0.8
147.11702	1.0
149.09605	1.1
152.04683	1.3
153.05464	2.4
155.07024	3.1
159.11655	1.0
161.05984	13.1
163.06058	2.0
167.07048	22.9
167.14398	0.9
168.07440	0.9
169.10118	1.4
170.73979	0.7
171.06564	5.1
171.11664	0.6
178.06277	1.1
181.04959	100.0
182.05283	2.6
183.06561	1.8
189.05429	1.3
191.07053	0.7
193.08600	15.2
194.08997	1.2
204.71109	0.8
205.08641	0.8
206.05737	1.2
221.08092	35.3
222.08441	1.5
227.08554	0.8
233.08029	0.8
241.06989	1.0
249.05293	0.7
249.07582	20.0
250.08070	1.0
253.15837	2.5
253.18114	0.9
271.05890	3.3
298.55103	0.7
313.10562	0.7
325.10681	1.3
329.10278	0.7
349.04446	0.6
357.13422	0.7
372.12323	0.8
373.12766	1.6
403.13858	62.6
404.14059	3.7
433.15277	3.2
433.23077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1492
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
53.03939	1.8
54.17974	0.5
55.01862	1.5
60.04514	0.8
62.58033	0.4
64.62922	0.5
64.90504	0.6
65.03938	9.6
67.05503	3.9
69.03425	2.5
69.07059	0.6
69.51837	1.0
69.52243	2.4
69.97015	0.4
70.06586	0.6
71.04989	2.2
72.08147	2.1
77.03928	0.6
79.05492	10.8
81.03413	1.3
81.07040	1.7
82.04182	3.3
83.04989	0.5
84.04494	0.7
85.02899	8.1
86.09715	4.4
91.05480	3.2
93.03403	2.3
93.07033	0.8
95.04964	7.1
97.02911	1.0
97.06542	2.8
103.05468	0.7
105.04516	1.0
105.07024	8.2
107.04954	20.0
107.08548	0.6
108.02099	1.4
109.06527	0.9
110.03667	4.6
111.04448	1.7
114.03155	0.7
115.05477	2.6
117.07034	0.8
119.04932	1.5
121.06499	1.3
122.03611	0.8
123.00771	0.8
123.04420	5.2
124.05206	3.3
125.05978	4.6
127.03965	0.6
127.07532	1.1
129.06912	0.6
131.04921	1.9
133.06491	8.5
137.02312	0.5
137.05956	2.3
138.03098	2.6
139.07521	0.6
140.04680	1.0
142.02626	3.2
143.04903	0.7
145.02835	0.6
145.06471	0.9
146.03539	0.9
147.04434	1.1
148.04749	0.6
149.05931	0.6
151.03867	0.7
151.07549	1.3
152.04678	1.4
152.05942	0.5
153.01787	2.0
153.05406	3.2
155.07063	3.0
160.05334	0.6
161.04739	0.9
161.05988	12.7
163.07547	0.8
167.07037	25.9
171.02917	0.6
171.06555	5.1
173.06100	0.6
178.06250	0.7
179.07008	0.9
181.04953	100.0
182.05298	2.4
183.06512	2.1
188.04558	1.0
189.05489	2.2
190.11237	0.5
191.06984	1.0
193.08600	12.9
194.07285	0.6
194.08920	0.5
205.08522	0.5
206.05734	1.7
207.06453	0.7
221.08083	34.6
222.08481	1.1
233.08015	2.2
235.17133	0.6
249.07564	19.3
250.07867	1.0
265.08548	0.7
271.06000	32.6
271.15314	1.5
272.06320	1.6
275.16098	0.5
313.10675	0.5
325.10617	1.0
342.10846	0.6
353.10364	0.7
357.13376	0.9
358.10257	0.6
372.12128	1.2
373.12796	0.8
401.95404	0.5
403.13849	60.4
404.14240	4.4
406.99762	0.5
415.13629	1.0
433.15643	3.9
433.20996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05029	0.5
57.44717	0.3
60.04523	0.9
68.83144	0.3
69.03418	0.5
69.29855	1.4
70.06590	1.8
71.04994	0.8
72.08154	4.6
79.05510	0.4
81.03425	0.6
81.07059	0.4
83.05003	0.6
84.04511	0.5
84.08155	0.6
85.02917	1.0
86.09720	3.7
87.65620	0.3
91.05460	0.7
93.07047	0.6
95.04983	0.5
97.02890	0.5
98.22672	0.5
98.97588	0.4
99.04532	0.3
102.05529	0.5
105.07039	0.7
107.08612	0.4
109.02863	0.5
110.07162	0.5
118.06889	0.3
119.08595	0.8
120.08916	0.4
124.03960	0.5
124.07548	0.4
127.03950	0.4
129.10258	0.5
130.04973	0.3
131.08571	0.4
136.07593	0.3
137.05972	0.3
140.07140	0.3
142.07701	0.3
145.02847	0.3
145.10165	0.4
147.04439	0.4
147.11710	0.3
151.07539	0.4
155.08170	0.3
157.10127	0.9
158.10506	0.8
159.11345	0.7
165.09239	0.3
167.07071	0.3
168.80836	0.3
173.09183	0.3
181.05054	0.5
187.10840	0.6
188.83879	0.3
189.16389	0.3
190.16757	0.5
199.14859	0.3
200.15115	0.4
201.08656	0.3
201.12376	0.4
217.15883	1.2
218.16245	2.2
219.13335	0.4
233.15302	0.3
235.16907	0.5
236.17365	0.6
247.12971	0.6
256.45764	0.3
269.84210	0.3
270.07697	0.4
271.05792	3.1
271.15176	0.3
301.12585	9.6
302.12674	0.5
376.20746	0.4
389.18060	1.3
433.16760	100.0
434.17133	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01332	0.2
61.23716	0.3
70.05906	0.5
70.06300	0.4
72.08158	0.5
86.09719	0.7
98.97588	0.3
139.81694	0.2
259.07941	1.7
271.11499	1.4
287.89661	0.2
343.09988	0.4
401.14029	1.6
433.16809	100.0
434.17206	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	433.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43030	0.3
53.72895	0.3
56.05017	0.4
63.96582	0.3
70.06584	1.2
70.62352	0.5
72.08158	1.6
72.08488	0.3
73.12373	0.3
84.04498	0.4
84.08162	0.6
85.02921	0.3
86.09707	1.5
86.10196	0.3
101.07171	0.3
102.05565	0.6
104.32792	0.3
105.07088	0.3
110.43670	0.3
129.10262	0.4
131.04909	0.5
147.85786	0.3
167.06993	0.3
181.04865	0.3
191.26062	0.3
220.78981	0.3
301.12582	6.3
302.12842	0.5
433.16830	100.0
434.17181	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68800	0.3
58.22994	0.3
60.04518	3.2
69.03419	0.8
69.27934	3.0
71.04985	1.1
72.08153	1.2
73.02930	0.7
73.21284	0.3
77.71934	0.3
79.03355	0.4
80.71281	0.4
85.02925	0.9
86.09702	1.4
90.05558	0.7
111.19692	0.3
167.07109	0.4
181.04907	0.7
221.08110	0.4
231.06470	0.4
247.44908	0.4
271.05984	1.0
301.12628	5.1
398.54572	0.4
433.16788	100.0
434.17328	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	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44245	0.8
53.03954	1.5
55.01881	1.9
55.05515	4.4
57.03437	1.0
57.07069	1.7
65.03942	1.1
67.05508	7.4
68.99772	0.9
69.03427	6.3
69.07075	6.5
69.22781	6.4
71.04997	8.3
71.31967	0.8
73.06570	2.0
78.20982	0.9
79.05494	6.0
81.03413	3.1
81.07066	8.8
83.05003	1.2
83.08621	3.1
85.02906	6.3
85.06539	1.4
87.00834	3.0
91.05482	6.1
93.07043	9.9
95.04971	2.5
95.08605	23.3
96.08907	0.8
97.02884	3.4
97.06533	1.9
97.10191	1.2
105.01884	2.3
105.07039	9.2
107.04997	1.0
107.08598	10.9
109.02881	1.7
109.06513	1.7
109.10157	6.4
111.08118	1.3
115.03933	2.0
117.07020	2.7
119.04974	1.7
119.08591	11.1
121.02911	1.6
121.06488	0.9
121.10145	6.1
123.04388	1.0
123.08051	1.9
123.11739	2.2
123.24397	0.8
125.09658	1.8
127.03934	1.8
127.11199	1.3
128.06241	1.4
129.07045	2.7
131.08603	4.2
133.04994	0.9
133.06511	1.6
133.10112	4.3
135.08060	1.1
135.11705	2.0
137.06042	1.3
137.09863	0.8
141.06992	1.4
142.07820	1.6
143.08583	3.5
145.06541	1.4
145.10129	6.1
147.08031	1.9
147.11664	3.9
149.13252	12.9
149.14342	1.3
153.01871	5.1
155.08562	2.5
156.09372	1.6
157.06509	1.4
157.10127	5.8
159.02876	0.9
159.08092	1.6
159.11710	4.6
161.13248	1.9
163.11130	1.1
165.09081	0.9
167.08527	1.1
167.14326	38.7
168.14670	1.3
169.10075	3.7
170.10924	1.0
171.08121	1.6
171.11737	3.9
173.13252	4.1
175.11121	1.5
175.14816	1.8
175.71120	0.8
177.12801	0.9
181.05005	2.2
183.11743	1.8
185.09686	1.6
185.13205	2.3
187.11182	1.4
187.14883	2.2
195.11755	1.7
197.13298	3.6
199.11078	1.0
199.14810	4.0
201.12874	1.1
201.16396	3.0
203.14287	0.9
207.11797	1.9
209.13351	1.2
211.14908	1.0
212.09375	1.4
213.16457	3.3
215.17920	2.0
223.11186	1.2
225.12776	1.7
225.16240	0.8
227.11798	1.8
227.17972	2.0
239.18068	1.1
240.09010	1.4
241.09700	1.2
241.15918	1.7
243.13744	1.2
243.17421	2.0
255.11337	9.3
271.06009	100.0
272.06354	7.1
283.10840	2.2
293.19006	1.5
311.20001	4.4
329.21100	3.9
387.30545	1.4
415.15152	1.0
415.20993	1.9
433.22406	5.5
433.31067	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	433.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01874	2.8
55.05515	4.2
57.03436	1.3
57.07062	1.1
59.05006	0.5
61.02909	1.4
65.03930	0.9
67.01846	0.5
67.05508	5.6
68.99803	2.8
69.03431	11.8
69.07076	4.8
71.04996	7.0
71.30851	0.7
73.02910	0.8
77.03918	0.5
79.05492	6.6
81.03418	7.6
81.07063	12.8
83.04996	2.8
83.08615	2.0
85.02908	7.6
85.06550	1.5
87.00827	3.5
91.05477	9.4
93.07046	10.0
95.04971	3.9
95.08617	8.0
97.02892	3.9
97.06516	1.7
97.10168	0.8
99.04443	1.5
101.02332	0.6
103.05478	0.6
105.01877	0.5
105.07034	12.9
107.04966	2.8
107.08601	9.5
109.02873	2.2
109.06522	1.8
109.10155	6.7
111.04449	2.0
111.08092	1.3
113.06020	0.5
115.03936	1.1
115.05453	1.7
116.10800	0.5
116.70342	0.4
117.07040	3.9
119.04935	2.9
119.08581	12.0
120.08925	0.5
121.02866	0.9
121.06500	2.6
121.10131	6.6
121.73588	0.5
123.04428	1.8
123.08079	1.8
123.11705	2.5
125.09607	2.4
127.03938	3.1
127.11200	3.4
128.06215	2.1
129.01845	1.0
129.05550	0.5
129.06999	4.7
130.07800	1.7
131.04959	0.5
131.08577	8.8
133.06493	1.6
133.10136	8.0
135.04396	0.8
135.08049	1.7
135.11690	3.3
137.05984	1.5
137.09616	1.4
137.13249	0.6
141.06966	2.0
142.07794	4.1
143.08571	7.9
143.10655	2.1
144.09241	0.7
145.02942	0.6
145.04948	0.9
145.06531	2.5
145.10130	12.7
147.02809	0.6
147.08034	2.5
147.11678	5.3
149.05986	0.9
149.09636	1.3
149.13269	1.5
151.07518	0.8
153.01825	4.9
153.05589	0.8
153.06973	1.0
153.12781	1.0
154.07809	1.5
155.08531	4.2
156.09375	2.3
157.06505	1.0
157.10129	11.1
158.10783	0.9
159.02849	0.8
159.08043	3.0
159.11699	8.3
160.11961	0.6
161.06026	0.7
161.09610	2.3
161.13268	1.7
163.03914	0.7
163.11211	1.5
164.07088	0.6
165.07047	1.1
166.07701	0.6
167.07140	1.1
167.08592	1.9
168.09384	0.9
169.08800	0.9
169.10115	5.2
170.10867	1.5
171.02960	1.3
171.06749	0.5
171.08006	2.8
171.11674	6.0
173.09613	2.9
173.13298	5.2
175.07497	0.7
175.11185	1.7
175.14832	2.2
177.09071	0.6
177.12680	0.7
177.16432	0.5
179.08585	1.3
180.09274	1.0
181.04961	2.6
181.06407	0.6
181.10126	3.2
182.10907	1.5
183.08096	0.8
183.11697	5.9
184.12381	0.6
185.09615	3.2
185.13315	3.6
186.10219	0.6
187.07535	0.7
187.11218	2.3
187.14812	3.0
189.03912	0.7
189.09096	1.5
189.12752	1.1
189.16393	2.1
191.10670	0.8
191.14397	0.7
193.10120	1.5
194.10905	0.8
195.08047	0.6
195.11755	2.2
196.12317	0.9
197.09540	1.0
197.13289	3.9
199.11287	2.2
199.14809	2.7
201.03867	0.6
201.09138	0.8
201.12738	3.1
201.14638	0.8
201.16391	5.7
203.10585	1.0
203.14439	1.2
203.17976	1.2
207.09740	0.5
207.11681	2.5
209.09613	0.8
209.13261	1.4
210.10376	0.7
211.08626	0.9
211.11205	1.5
211.14848	1.8
213.03972	0.6
213.12877	2.4
213.16454	3.3
215.10796	0.6
215.14397	1.6
215.18051	2.2
217.15805	0.8
219.17525	0.9
221.13295	1.0
223.14781	1.9
225.12764	5.6
225.16292	2.2
227.14349	1.4
227.17953	2.8
229.15997	0.7
231.13754	1.0
231.17438	1.2
235.08835	0.8
235.16919	0.6
237.12720	0.5
237.16449	0.8
239.14310	1.2
239.18011	1.2
240.15103	0.5
241.15894	1.7
243.13802	3.0
243.17410	3.6
244.14174	0.7
245.18996	0.8
249.16338	0.6
251.14230	0.8
251.17976	1.1
253.09718	3.7
255.11314	0.7
255.13855	0.9
255.17419	1.0
257.19012	1.7
259.16949	0.7
261.18622	0.7
265.19522	1.0
269.18997	1.6
271.06015	100.0
271.10812	2.8
272.06345	7.3
275.17856	0.8
283.20459	0.7
285.18347	0.6
287.05505	0.6
287.20029	0.8
293.18985	2.9
311.16626	0.4
311.20050	9.8
312.20349	0.7
329.21085	6.3
347.14822	1.6
347.21924	0.9
389.23395	0.9
403.13693	0.9
415.21146	3.9
427.36108	0.5
433.17700	0.7
433.22284	14.6
433.27365	1.3
433.31696	0.9
434.22458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77791	0.8
53.03955	2.8
55.01872	2.7
55.05513	3.7
57.03437	1.9
63.67648	0.9
64.30663	0.8
65.03942	2.3
67.05503	8.5
68.99793	3.5
69.03433	8.8
69.07069	6.7
71.04992	8.1
72.29828	0.9
73.02929	1.1
75.06370	0.8
79.05500	6.9
81.03419	7.8
81.07064	11.7
82.21095	1.0
83.04993	3.4
83.08620	2.3
85.02900	6.8
85.06549	2.7
87.00841	4.4
91.05478	9.1
93.07047	9.2
95.04977	3.7
95.08617	14.9
97.02891	5.4
97.06556	2.5
97.10175	1.2
98.23364	1.9
99.04475	1.8
103.05470	1.6
105.01900	0.9
105.03378	3.1
105.07034	11.9
105.08588	0.9
107.04943	3.0
107.08601	10.0
109.02875	1.0
109.06517	2.6
109.10168	9.6
111.04450	3.1
111.08089	1.4
113.04232	0.9
115.03912	2.5
115.05428	1.8
116.06194	1.1
117.07048	5.0
119.04936	3.2
119.08588	13.0
121.02917	1.0
121.06532	3.0
121.10152	6.8
123.04409	1.7
123.08074	2.0
123.11722	2.4
125.05973	1.3
125.09635	1.5
127.03922	1.7
127.11197	3.0
128.06245	2.5
129.01880	2.5
129.07010	4.0
130.07797	1.3
131.04942	1.0
131.08568	8.1
133.06511	2.2
133.10121	7.9
135.08090	2.2
135.11679	2.3
137.05977	2.2
141.07018	2.7
142.07788	3.9
143.08580	8.0
144.09314	1.1
145.02858	1.0
145.06569	1.4
145.10141	10.7
147.08060	1.9
147.11710	4.6
149.09583	1.5
149.13284	3.2
151.11234	1.1
153.01807	7.7
154.07788	2.1
155.08569	5.2
156.09348	3.2
157.10117	11.7
159.02921	1.4
159.08080	4.7
159.11714	8.4
161.05971	1.5
161.09669	2.6
161.13312	2.8
165.07030	1.5
166.07823	1.0
167.07076	1.8
167.08556	2.1
167.14320	11.9
168.09335	1.3
169.10139	5.5
170.10756	1.0
171.02954	1.1
171.08080	2.7
171.11702	8.1
173.09616	3.2
173.13277	6.4
175.07501	1.0
175.11209	2.8
175.14856	2.4
177.12854	1.4
180.09451	1.0
181.05006	7.0
181.10146	4.0
183.11641	4.5
185.09587	2.4
185.13309	4.6
187.11212	2.5
187.14874	3.2
189.09093	1.4
189.12715	1.7
189.16429	1.6
191.10670	1.2
195.11674	2.9
196.12321	1.4
197.09592	1.8
197.13289	4.6
199.11205	3.0
199.14777	3.0
201.12730	2.6
201.16452	8.5
205.10243	1.2
207.11748	2.3
209.09604	1.3
209.13300	2.7
211.14793	1.8
213.12830	1.6
213.16345	5.3
215.14328	1.2
215.17979	2.0
217.12120	1.1
219.17477	1.0
221.07973	1.0
223.14836	2.5
225.12820	4.7
225.16417	2.4
227.17969	2.0
231.17426	1.2
237.12737	1.3
237.16553	1.0
239.14275	1.4
241.15900	2.7
243.13754	2.2
243.17465	3.3
251.14487	1.8
251.17995	1.6
255.11313	2.2
255.17467	1.5
257.19116	2.3
258.58914	0.9
265.19510	1.2
269.19034	2.4
271.06021	100.0
272.06357	7.4
273.18268	1.0
275.18051	1.2
283.20651	0.9
293.19064	3.4
311.20050	10.7
329.21155	9.0
347.14920	1.8
347.21933	1.6
403.13937	2.4
415.21030	4.7
433.17343	0.9
433.22379	13.7
433.31042	5.3
434.22333	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.6
55.01868	6.7
55.05515	12.4
57.03422	5.4
57.07069	5.7
61.02918	4.8
61.42049	2.3
65.03963	3.2
67.05513	17.3
68.25098	2.0
68.99781	10.6
69.03077	2.8
69.03428	34.5
69.07071	19.0
69.18467	11.0
69.18873	4.4
70.93857	2.1
71.04995	20.1
72.53271	1.9
73.02909	2.4
78.36526	1.9
79.05489	17.3
81.03417	20.6
81.07054	26.8
83.04988	10.2
83.08611	6.0
85.02905	22.4
85.06577	3.4
87.00830	14.2
91.03939	2.5
91.05475	30.6
93.07029	25.6
95.04967	13.3
95.08613	29.4
97.02876	12.5
97.06524	5.2
97.10180	2.3
98.23380	4.2
99.04449	4.1
99.08139	2.9
101.02353	2.0
103.03902	2.4
105.07030	48.8
107.04945	6.5
107.08588	29.1
109.02863	5.2
109.06520	8.0
109.10165	23.0
111.04438	7.3
111.08064	2.5
115.03930	7.7
115.05414	4.9
117.07036	13.8
119.04955	6.3
119.07768	3.4
119.08583	47.6
120.08920	2.0
121.06508	8.3
121.10140	20.2
123.04420	4.2
123.08066	4.6
123.11750	10.9
125.06023	2.6
125.09633	2.4
127.03916	6.2
127.10172	1.8
127.11194	8.2
128.06213	8.9
129.01828	7.0
129.07013	14.9
130.07779	2.9
131.04945	2.4
131.08562	30.3
133.06479	4.8
133.10118	25.3
135.08057	7.0
135.11717	9.4
137.05933	5.0
137.09593	4.9
141.07001	6.4
142.07808	14.7
143.08568	24.6
144.09268	4.7
145.06479	7.8
145.09024	2.0
145.10118	36.5
147.02864	2.4
147.08047	10.9
147.11667	16.9
149.05972	3.0
149.09630	4.1
149.13246	4.6
151.11198	5.2
153.01825	6.0
153.06897	3.0
154.07773	4.3
155.08540	15.7
156.09355	10.1
157.06523	2.8
157.08887	3.1
157.10135	41.3
158.10823	2.7
159.02843	3.5
159.08060	11.7
159.11703	39.2
161.05994	2.3
161.09605	7.7
161.13272	8.3
163.07533	3.7
163.11221	3.1
165.06941	3.0
165.09142	3.6
167.07155	2.0
167.08551	5.7
168.09337	4.7
169.10104	21.6
170.10905	6.3
171.08002	6.7
171.11702	23.4
171.31450	2.1
172.12337	2.1
173.09651	14.2
173.13278	20.0
175.11200	7.6
175.14830	6.2
177.12643	2.3
179.08522	4.9
180.09254	3.5
181.04970	2.9
181.10127	9.5
182.10857	7.0
183.07973	3.4
183.11635	11.8
185.09608	8.5
185.13263	14.7
187.07466	3.8
187.11169	11.8
187.14796	10.3
189.03961	3.4
189.09145	5.7
189.12781	7.3
189.16325	3.8
191.10611	2.3
191.14334	2.9
192.09389	4.8
193.10138	5.3
194.10854	2.5
195.11761	9.3
196.12393	3.7
197.09647	4.9
197.13307	12.9
197.14888	2.5
199.11246	6.9
199.14774	8.0
200.11879	2.2
201.03952	3.3
201.12766	11.1
201.16382	20.6
203.10570	4.0
203.14374	2.4
203.17992	6.4
207.11676	10.2
209.13251	7.6
210.10440	4.4
211.11118	2.7
211.14760	6.3
213.12727	8.2
213.16383	17.6
215.14281	2.9
215.17972	9.5
217.12219	5.1
219.11815	2.7
219.17383	4.0
221.13313	3.1
223.11282	2.2
223.14816	7.5
225.12759	14.5
225.16350	8.0
227.14316	3.7
227.17894	6.1
229.12305	2.9
229.15889	4.0
231.13867	3.1
231.17435	3.2
233.13271	3.4
237.12704	3.1
237.16301	4.0
239.14372	4.3
239.17923	4.8
241.15869	10.1
243.13950	9.6
243.17462	13.9
245.19025	3.0
251.14278	3.0
251.17929	3.0
253.15891	2.1
255.17468	4.8
257.15311	2.2
257.19073	4.9
259.16992	4.1
261.18469	3.2
265.19498	5.2
269.19177	4.9
271.06000	100.0
272.06317	7.2
273.18555	2.0
283.20511	5.8
287.20081	3.9
293.19003	13.3
301.21732	2.8
311.20020	37.5
312.20300	5.0
329.21130	26.4
347.14899	7.2
347.22205	7.5
389.23175	3.8
415.21243	19.4
433.22208	46.2
433.30972	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	433.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
57.03428	2.1
57.06828	1.0
57.07076	11.4
67.05491	3.1
69.07066	2.8
69.31472	2.4
69.31873	1.5
71.08634	9.7
79.05498	0.7
81.07058	4.3
81.11265	0.6
83.08615	2.7
83.64567	0.6
85.10172	5.4
90.41586	0.8
90.44500	0.7
92.44620	0.7
95.08595	4.5
97.10200	1.0
107.08552	0.8
109.10152	1.5
120.96635	15.6
173.25525	0.7
176.99229	2.1
191.13045	0.6
195.00298	10.4
196.01169	0.8
203.48660	0.7
259.30862	0.7
313.27344	33.6
314.27637	2.4
335.25732	1.3
353.26572	5.5
385.51218	0.7
415.22171	11.1
433.23245	100.0
434.23526	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03936	2.6
55.01873	3.2
55.05513	11.7
57.03445	11.7
57.07074	5.0
65.03946	3.2
66.85373	1.8
67.05510	65.6
68.05851	1.9
69.07070	14.8
69.76830	6.6
71.05000	2.9
74.45318	1.6
75.04498	2.3
79.05497	33.6
81.07064	68.8
83.04959	2.4
83.08624	5.3
85.06556	5.7
86.62232	1.8
91.05485	20.5
93.07051	48.0
95.05005	2.4
95.08615	56.8
97.06512	2.4
97.10204	2.6
98.22614	1.7
98.98472	100.0
105.07031	18.4
107.08601	38.2
107.20145	1.6
109.06529	4.3
109.10161	27.8
111.08075	3.5
116.99488	2.6
117.07033	7.8
119.08589	14.3
121.10149	26.6
123.08071	2.6
123.11747	12.5
131.08546	13.7
133.10156	14.1
135.11717	16.8
136.44528	1.8
137.13281	5.7
143.08565	3.2
145.10132	12.7
147.11685	9.3
149.09660	2.1
149.13226	12.5
153.01865	2.6
155.01039	11.1
157.10132	3.2
159.11725	9.2
161.13283	7.6
163.14868	8.5
164.08759	1.7
165.12775	2.3
169.10098	2.3
173.02135	15.9
173.13258	8.1
175.14851	5.5
179.14233	1.8
185.13226	2.3
187.14876	6.1
191.14279	2.0
201.16483	3.4
207.11707	2.2
233.22682	2.6
243.21127	16.9
244.21475	2.1
261.22153	52.3
262.22360	4.0
271.06006	39.0
272.06323	2.0
273.96667	1.6
277.21814	2.2
279.23184	2.2
291.23334	1.7
317.24768	7.6
335.25824	81.9
336.26154	5.7
351.73209	1.8
415.22293	2.4
433.16672	1.7
433.23303	2.9
433.29047	13.1
441.46289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41537	1.5
53.03944	3.1
55.05506	12.4
55.11034	1.7
57.03437	8.1
57.07079	5.8
65.03948	1.9
67.05509	50.0
68.33402	1.5
69.07077	17.7
71.04991	3.3
71.08642	3.0
71.31400	2.1
75.04479	1.7
75.68006	1.5
79.05499	34.2
81.03429	1.8
81.07062	59.5
83.08611	7.9
85.06547	4.6
88.92867	1.9
91.05486	21.7
93.07050	46.4
95.04969	3.3
95.08611	44.5
97.06554	4.8
97.10205	2.0
98.98473	100.0
99.08123	3.7
105.04528	2.1
105.07049	19.6
107.08604	34.6
109.06535	2.9
109.10155	25.0
111.11785	2.2
115.05456	2.0
117.07037	7.1
119.08600	25.4
121.10154	33.4
123.08069	2.8
123.11703	16.6
125.09640	2.1
126.21254	1.6
131.08571	16.3
133.06558	1.7
133.10136	18.0
135.08041	2.7
135.11690	23.9
136.12080	2.1
136.94319	1.7
137.09644	3.6
137.13277	6.6
139.11171	2.0
141.07152	1.7
143.08615	3.3
145.10126	18.7
147.08046	2.6
147.11703	14.8
149.09631	3.4
149.13260	16.5
151.14824	2.1
153.01860	2.1
155.01071	16.8
157.10143	4.2
159.11705	12.4
161.09621	1.8
161.13246	9.3
163.11154	2.0
163.14824	8.9
165.12724	1.6
169.10129	1.8
171.11693	4.7
173.02129	16.6
173.13261	13.0
175.14854	7.4
177.12778	1.9
177.16386	5.0
179.14345	2.4
183.11684	2.2
185.13277	4.0
187.14827	5.6
189.16429	2.3
197.13223	1.7
199.14819	3.1
201.16441	4.4
203.18051	2.1
205.15898	1.8
221.13409	3.0
233.22612	4.9
239.14299	2.0
243.21051	17.2
261.22153	54.4
262.22574	5.1
263.18100	1.8
271.06018	51.1
272.06360	4.9
317.24808	6.3
335.25806	39.0
335.29639	2.8
336.26108	2.8
386.18045	1.8
405.31686	2.0
412.01801	1.9
415.22394	4.6
415.29681	3.7
433.23087	3.2
433.31564	21.4
434.30759	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
54.32704	3.1
55.05511	29.4
57.07083	4.4
59.05005	64.5
60.02488	2.8
62.17627	3.6
67.05504	16.0
69.03418	4.9
69.07066	13.5
69.42788	17.7
71.05016	4.3
72.99062	3.0
79.05491	17.3
81.07049	27.5
83.05006	5.2
83.08630	8.6
85.06545	100.0
91.05486	58.0
93.07047	38.1
95.04975	9.8
95.08605	31.5
99.08077	4.5
102.37833	2.9
103.05504	5.4
105.07037	50.8
107.08588	32.5
109.06523	12.3
109.10176	22.4
111.08089	12.8
113.00021	20.8
115.05439	8.3
116.06252	4.4
117.07030	17.7
119.08582	78.6
121.06526	4.8
121.10156	32.7
122.07270	5.0
123.08067	11.3
125.09621	26.2
128.06229	6.8
129.07008	10.8
130.07802	3.2
131.08578	24.4
133.10150	33.8
134.10490	3.3
135.08057	4.7
135.11714	10.7
137.09615	26.1
141.06985	4.3
142.07796	16.1
143.08554	23.3
145.10153	28.1
147.08069	5.4
147.11710	13.1
149.09607	9.0
149.13197	3.8
151.11182	26.8
151.54890	3.2
153.06937	4.1
155.08554	9.5
156.09363	13.0
157.10152	20.3
159.08084	4.2
159.11647	15.1
161.09624	6.5
161.13286	5.8
163.11195	6.0
163.14911	4.0
167.08568	4.4
168.09380	6.5
169.02652	18.5
169.10144	14.9
170.10889	7.0
171.11688	15.0
173.13298	10.2
175.11162	5.6
175.14861	9.4
177.12791	5.1
179.08569	9.0
181.10173	8.0
182.10957	11.7
183.11732	13.9
185.13336	12.0
187.11237	5.1
187.14792	4.2
189.12773	6.4
192.70340	3.2
193.10091	7.1
194.10870	6.5
195.11719	8.9
197.13354	9.9
203.14294	4.7
207.11641	6.5
208.12384	4.1
209.13286	13.2
211.14912	7.9
215.14473	4.3
219.96382	3.2
220.12476	3.7
221.13289	7.6
222.81302	3.2
223.14745	6.8
231.11659	6.9
235.14926	5.6
238.48982	3.7
257.22372	3.6
317.22955	3.4
381.31158	5.5
399.32526	10.7
415.64767	3.9
433.31110	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	37.0
57.03437	3.7
57.07072	3.7
59.05001	66.6
60.21812	3.3
60.23944	3.2
67.05508	22.4
69.07076	19.0
71.04975	3.9
74.62001	3.3
79.05501	23.6
81.07056	28.5
83.04994	5.3
83.08616	6.6
85.06542	100.0
86.06847	3.7
91.04948	6.9
91.05479	52.5
93.07043	38.4
95.04981	7.2
95.08621	40.5
97.06532	3.6
97.10156	6.0
105.07038	46.3
107.08617	26.1
108.05817	3.3
109.06530	10.8
109.10175	29.9
111.08086	16.0
113.00016	72.1
115.05479	5.3
117.07034	16.1
119.08582	62.7
121.06510	7.2
121.10141	39.6
122.07362	5.5
122.83899	3.5
123.08080	10.3
123.11671	4.1
123.49705	3.6
125.09623	24.1
128.06255	6.5
129.07024	8.1
130.07758	5.4
131.08556	25.2
133.06429	3.3
133.10114	27.8
135.08072	10.1
135.11743	10.5
137.09625	25.5
142.07779	14.7
143.08514	16.9
145.10123	34.5
147.08051	9.0
147.11728	11.2
149.09586	6.0
151.11157	33.4
152.11475	3.6
155.08539	10.6
156.09366	15.9
157.10126	29.6
159.11655	11.8
161.09634	6.9
161.13303	7.1
163.11206	8.5
165.06947	4.8
167.08566	8.2
169.02620	66.4
169.10159	14.8
171.11716	22.1
173.09662	5.9
173.13246	11.3
175.11261	9.8
175.14851	5.6
179.08542	5.1
180.09341	4.2
181.10147	4.8
183.11627	17.3
184.95918	3.7
185.13197	8.0
187.11197	5.1
187.14680	5.4
189.12767	4.4
190.19215	3.6
190.47296	3.8
193.10243	4.4
194.10832	6.3
195.11694	12.0
197.13293	9.6
199.14873	5.1
201.12648	6.1
203.14305	6.9
206.10815	4.1
207.11795	9.2
209.13297	13.7
211.11363	3.7
211.14749	4.9
221.13307	11.6
223.14877	11.1
229.15851	3.6
235.14760	5.4
247.14771	5.4
249.16393	6.1
253.16003	3.9
255.14041	4.4
263.17990	4.3
271.06024	45.8
401.28378	4.3
433.24457	8.6
433.30920	47.5
433.36179	4.8
434.30820	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	433.3314
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
52.17063	2.7
53.03943	4.3
55.01867	4.5
55.05513	21.2
57.03442	3.2
57.07079	8.1
60.62732	2.7
67.05506	45.9
69.03438	4.5
69.07066	30.9
69.22075	16.8
69.62282	3.0
70.06566	3.2
71.05003	8.0
79.05502	34.6
81.07058	93.0
82.07430	3.2
83.04983	5.9
83.08642	14.2
85.06551	18.3
91.05473	32.7
93.07053	71.8
95.04994	6.3
95.08610	90.8
97.06557	5.0
97.10192	8.4
99.11578	2.8
105.07038	57.5
107.08593	83.7
109.06551	3.7
109.10164	58.9
111.08077	6.8
111.11704	4.3
115.05481	4.6
117.07034	6.3
119.04971	3.2
119.08582	51.1
119.79027	2.9
121.06537	4.8
121.10146	97.6
123.08037	3.7
123.11708	31.4
125.09685	5.8
129.07024	5.7
131.08551	14.8
133.10132	43.3
135.07997	3.9
135.11699	69.3
135.12679	4.8
137.09608	5.2
137.13290	9.2
139.07640	3.4
139.11206	17.3
141.07036	3.3
142.07764	3.8
143.08601	10.6
145.10130	24.9
147.11696	35.7
149.09613	6.7
149.13246	30.4
149.14191	3.4
151.11230	3.7
153.01935	3.5
157.10132	14.8
159.11737	30.2
161.09625	4.0
161.13252	29.5
163.11220	3.6
163.14825	28.5
165.07014	4.6
169.10147	5.4
171.08047	4.0
171.11713	13.9
173.11993	3.1
173.13275	19.6
175.11211	5.8
175.14868	14.8
177.12692	6.8
177.16399	8.8
178.07751	3.9
179.08609	4.4
179.14436	3.6
181.10132	4.7
181.12363	5.0
183.11743	6.6
185.13283	9.2
187.14867	14.5
189.12772	10.4
189.16394	22.9
191.08739	3.1
191.10564	3.0
191.14333	8.5
191.17995	12.1
193.12268	3.4
200.20155	3.6
201.16452	10.9
203.14351	4.9
203.17976	13.0
205.12184	4.6
205.15828	4.6
207.13812	5.7
207.17496	6.9
211.14830	6.1
213.16437	6.4
215.08542	4.3
215.14420	3.3
215.17972	7.4
217.16158	3.5
217.19547	28.4
227.17979	6.3
229.10112	8.8
229.19601	4.6
231.14052	3.7
231.17371	4.5
235.16988	5.1
241.19598	4.4
249.18565	3.6
257.22662	6.1
265.10233	4.6
269.22614	3.1
271.06018	62.5
284.11737	2.9
287.20145	4.9
301.21585	6.7
303.23303	7.4
351.30511	5.4
369.31534	17.9
370.30820	3.0
379.29907	17.9
397.31131	48.3
398.31253	4.7
415.32080	100.0
416.32404	10.5
433.23511	7.7
433.30685	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	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01877	1.7
56.05030	0.5
57.03428	2.5
60.04527	100.0
61.02930	3.5
61.04852	0.5
69.03432	10.2
69.22853	0.3
69.97240	0.8
71.05001	1.2
72.04515	6.0
73.02917	1.6
74.06091	0.8
81.03416	3.4
84.04510	0.7
85.02907	18.6
87.04456	1.8
90.05558	16.1
91.03965	0.9
92.68934	0.4
96.04517	0.5
97.02900	7.7
99.04469	1.6
102.03478	0.4
102.05537	0.9
103.05474	0.7
109.02871	2.8
115.05470	1.6
117.07053	0.8
127.03919	3.3
131.04913	1.7
132.06570	7.6
133.02866	1.1
136.68475	0.3
143.01839	0.7
145.04999	2.5
147.04445	0.7
149.06056	0.4
153.05435	2.3
155.01874	0.5
159.04434	2.4
160.05141	0.7
161.02939	0.4
165.05450	1.0
169.35158	0.4
174.05554	1.3
176.04556	0.4
177.05467	6.1
179.06978	0.6
183.05106	0.7
183.65681	0.4
185.02979	0.6
190.04982	0.6
191.04010	0.4
191.07069	1.4
193.05038	0.5
195.06557	1.2
197.07022	0.4
204.08710	1.0
205.07240	0.9
206.08130	4.5
207.06627	0.6
213.55731	0.6
218.08159	0.8
219.06497	4.9
222.09689	0.8
236.09178	10.4
237.07500	0.7
245.05081	1.0
254.10213	1.3
255.07076	1.0
263.05954	1.3
264.07639	1.0
272.11285	64.4
273.08508	0.6
273.11627	3.2
294.11819	0.6
314.12427	0.5
392.86191	0.4
434.16580	30.9
435.16928	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	434.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74237	0.4
53.03941	1.4
55.01867	1.8
56.05039	0.8
56.96567	0.7
57.03156	0.5
57.03439	7.8
60.04526	100.0
61.02922	3.5
61.04866	0.9
68.05029	0.7
69.03080	0.8
69.03432	11.8
69.30294	2.6
70.06567	0.4
71.04996	1.2
72.04513	5.6
72.08157	0.4
73.02917	2.3
75.39021	0.4
77.03903	0.5
81.03431	5.1
83.01344	0.5
84.04510	0.7
84.08178	0.5
85.02904	19.2
86.94489	0.4
87.04480	1.4
88.46944	0.3
90.05555	16.1
91.03944	0.7
96.04477	0.5
97.02892	10.1
98.23386	0.9
98.97576	2.4
99.04469	1.7
102.05575	0.9
103.05459	0.7
107.05016	0.4
109.02879	2.6
110.06039	0.5
110.97601	0.9
114.05518	0.4
115.03869	0.5
115.05474	1.7
116.98621	0.4
119.01816	1.5
125.05946	0.4
127.03916	5.2
128.98628	0.8
129.10313	0.8
129.38257	0.4
131.01817	0.7
131.04930	1.6
132.05688	0.3
132.06572	8.0
133.02856	1.2
140.02335	0.8
140.49698	0.4
140.98546	0.7
144.05731	0.5
145.04990	2.5
145.06506	0.5
147.04494	0.7
149.05923	0.4
153.05458	2.7
158.99664	1.3
159.04364	2.3
160.05170	1.2
163.07594	0.7
165.05502	1.3
170.99646	2.3
174.05530	1.5
177.00768	0.6
177.05463	5.6
178.56631	0.5
182.03325	3.9
182.53606	0.4
182.99678	1.0
189.00716	1.1
190.04933	0.5
191.03865	4.6
191.07025	1.8
191.54036	0.8
193.04904	0.5
195.06544	1.1
201.00656	2.0
204.08665	0.6
205.07393	1.4
206.08131	4.6
207.06586	0.7
213.55829	0.6
218.08124	0.9
219.01794	2.5
219.06520	5.8
222.09645	0.6
236.09172	10.4
237.02780	0.8
237.07512	0.9
240.14452	0.4
245.05037	0.5
254.10254	1.2
255.07018	0.5
261.02887	1.0
263.03174	0.6
263.06015	14.3
263.56131	2.5
272.06500	2.7
272.11279	64.3
273.11655	3.9
279.03931	0.5
343.20679	0.4
344.08450	2.1
344.58844	0.9
353.09167	1.9
353.59326	0.6
416.15204	0.6
434.16580	28.9
435.17175	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	434.1811
Annotation	Naamidine A
Peak:m/z	Relative Intensity
56.05026	2.6
56.13302	1.8
56.96579	12.1
60.04528	53.4
70.06606	2.8
71.30444	1.8
72.04515	5.0
72.08200	2.2
74.06091	3.8
75.15529	2.4
84.08176	3.5
85.02914	8.8
86.09740	3.0
88.69723	2.0
90.05557	10.2
94.04206	3.2
97.02918	2.8
102.05535	6.5
103.05457	2.1
122.03649	6.4
124.99126	2.3
129.10233	2.7
131.04970	7.7
137.05988	77.0
143.00128	4.1
143.04950	2.3
151.07558	2.4
161.01285	4.0
163.03850	2.6
163.07599	3.8
190.05025	9.6
202.08630	4.7
205.07367	13.8
206.68254	2.2
217.42892	2.5
237.00755	5.2
255.01872	9.5
262.10767	45.3
262.97797	2.1
265.08536	5.6
269.77756	2.8
273.02896	7.2
277.08710	3.8
278.10284	29.3
279.10989	16.4
280.11862	11.5
315.02084	2.5
332.06042	2.2
393.04688	3.3
399.14362	14.1
411.06006	3.7
416.16989	26.2
429.07004	6.7
434.18085	100.0
435.15921	8.4
448.57867	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01879	15.8
55.05515	4.4
57.03437	19.9
58.84156	1.8
59.04980	1.9
61.02936	14.3
65.03938	5.9
67.01859	9.1
67.05498	8.1
69.03077	3.6
69.03432	41.8
69.07086	6.3
71.01361	3.8
71.05004	6.5
73.02502	4.3
73.02918	90.3
79.05489	13.5
81.03416	15.0
81.07066	9.6
83.01370	2.4
83.04984	3.2
83.08624	1.9
84.08176	2.0
85.02906	100.0
85.06548	2.6
86.03239	2.3
87.04485	7.8
87.97030	1.6
91.03958	5.6
91.05482	16.5
93.07049	20.6
95.04966	29.6
95.08604	10.8
97.02892	60.9
97.06532	4.3
99.04459	5.1
100.11250	2.2
102.05567	2.7
103.03952	5.7
105.01875	2.7
105.04508	2.0
105.07046	11.5
106.04181	3.2
107.04959	12.7
107.08615	8.5
109.02886	11.9
109.06536	6.4
109.10183	7.7
111.04449	5.7
115.03932	28.7
117.07012	4.5
119.04971	3.5
119.08605	6.0
121.06506	60.3
121.07352	3.3
121.10148	2.4
122.06818	3.0
123.04402	3.9
123.08059	18.1
123.11742	3.1
124.05293	2.0
125.06033	3.8
125.09695	2.9
127.03894	27.4
128.04269	1.9
128.06221	2.4
131.08598	4.0
133.04970	31.2
133.06471	3.4
133.10156	7.1
135.04372	2.4
135.08049	8.0
137.05980	3.6
137.09644	3.2
143.10718	2.1
144.05751	2.2
145.04959	39.0
145.06210	2.6
145.06566	2.2
145.10069	2.3
147.08075	5.2
148.06094	2.0
148.09662	2.6
149.06015	4.0
149.09625	2.1
149.13266	2.7
150.07608	3.1
151.07533	2.0
151.11156	2.4
157.06506	2.2
159.08098	2.2
159.11821	1.9
161.06013	5.0
161.09564	3.8
163.06036	17.1
163.07570	5.7
165.09059	10.2
167.07042	24.6
167.14357	6.4
168.14662	2.3
169.12309	4.0
172.05179	5.1
173.06017	5.3
177.05487	4.0
177.09148	4.3
181.04958	44.0
183.05699	1.7
187.07558	4.4
200.04672	3.1
201.05463	3.0
201.16409	2.1
205.08694	2.7
207.10161	4.3
209.08153	2.7
218.05736	4.1
219.10239	2.2
219.17532	3.8
221.08075	4.3
223.06070	5.5
233.08081	34.2
237.11127	2.4
237.18437	2.2
241.06996	8.7
254.14645	3.6
259.08215	8.2
263.09207	4.0
263.37546	1.8
271.06021	3.5
272.06421	7.1
355.11905	2.9
387.14395	3.5
399.14203	3.4
417.15375	15.9
435.16599	1.9
450.99408	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01880	3.0
55.42051	0.5
57.03439	5.0
59.05009	0.6
61.02921	4.5
67.05472	0.6
69.03428	10.1
71.01352	1.2
71.04990	1.0
71.31188	0.8
73.02918	26.8
79.05508	3.2
81.03404	1.9
81.07040	0.6
85.02906	22.3
86.03226	0.6
87.04456	1.6
91.03929	0.6
91.05488	1.2
93.07037	1.3
95.04974	1.3
97.02892	19.7
98.35391	0.5
99.04430	0.8
103.03934	1.8
103.05466	2.0
104.70314	0.6
105.07029	100.0
106.07376	3.1
107.04971	0.8
107.08589	1.8
109.02876	2.2
109.10179	0.6
115.03937	9.3
119.08577	7.5
121.10130	0.8
127.03913	6.9
128.06233	0.7
131.08559	1.9
133.04962	8.1
133.10118	2.1
137.05913	0.7
143.08575	2.7
145.04958	9.6
145.10139	2.5
147.08044	5.8
150.07600	1.0
155.08504	0.8
159.08032	2.8
161.04457	1.0
161.09636	0.6
163.06003	2.9
163.07440	1.1
167.07051	1.4
171.07996	2.7
173.09642	1.6
180.08684	0.5
181.04903	2.5
183.08087	0.6
185.09621	0.7
189.09073	1.3
201.09131	1.8
213.09122	0.6
219.10135	3.2
223.05922	1.2
231.10216	0.9
233.08049	1.8
241.07086	2.2
249.11290	0.9
259.08139	1.4
291.80356	0.5
435.16168	3.0
446.89090	0.5
458.84961	0.5
459.05499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69540	4.7
53.55206	4.6
57.03436	7.2
63.06425	4.7
63.68937	5.3
63.77110	4.7
69.03445	4.8
69.38267	22.7
75.04465	6.1
80.36697	4.9
81.03424	5.5
82.23994	5.5
85.02901	12.5
91.05486	9.8
93.07031	6.2
99.15958	5.3
103.04887	5.1
103.05469	31.4
119.04945	8.6
123.04478	12.6
127.03994	5.7
131.04921	100.0
131.34021	5.7
133.69672	4.8
137.05984	18.1
138.06787	11.2
147.04442	5.8
148.05215	12.3
151.07516	7.5
163.07550	68.8
164.07796	5.3
166.06281	18.9
181.08609	37.1
237.11180	13.5
255.12236	44.0
435.16296	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.7
57.03439	19.9
61.02929	16.9
66.13898	1.5
69.03432	31.8
71.01372	2.5
73.02921	76.4
81.03416	5.9
85.02908	100.0
87.04481	2.3
91.03971	4.8
93.61250	1.9
97.02899	52.7
98.23347	4.5
99.04462	3.5
103.03952	2.5
105.07044	15.1
109.02882	10.0
115.03943	27.5
127.03925	33.7
127.04891	2.3
131.51187	1.4
133.04987	32.5
145.04959	50.7
147.08060	2.1
148.08382	1.8
150.07623	3.5
159.08051	1.7
163.06017	26.9
201.09149	3.7
219.10248	4.4
223.06085	5.5
241.07137	7.0
259.08121	8.1
285.13510	3.7
295.10208	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09136	1.9
53.03946	4.2
55.01875	7.9
55.05520	8.1
57.07078	3.7
60.67293	2.1
65.03940	3.9
67.05505	20.3
69.03421	14.0
69.07072	24.9
71.01335	2.8
71.04996	12.0
71.10949	3.7
79.05493	24.9
81.03425	3.6
81.07068	44.3
81.69772	1.8
83.04985	16.5
85.02923	12.0
85.06540	12.9
91.05478	19.7
93.07054	38.9
94.07375	2.4
95.04975	61.0
95.08607	19.9
97.02886	3.5
97.06535	17.8
99.04459	9.4
103.03960	5.9
103.05479	3.6
105.07033	37.2
107.04978	5.6
107.08597	27.5
108.26021	2.0
109.02908	2.6
109.06520	20.1
109.10160	7.6
110.19467	2.0
111.04484	2.3
111.08102	4.3
111.11720	5.5
113.02386	3.0
113.06001	3.5
115.05444	3.0
116.06230	2.2
117.07018	10.3
119.04939	6.3
119.08560	19.8
121.06542	11.5
121.10156	33.0
123.04462	4.7
123.08089	3.7
123.11746	3.2
125.05979	18.9
125.09574	3.8
127.03909	4.3
127.07577	6.0
128.06224	2.8
129.07033	8.4
130.07767	3.6
131.08580	26.6
133.06490	5.6
133.10165	14.9
135.04422	2.9
135.08060	5.3
135.11700	16.4
136.07610	2.2
137.05960	10.2
139.07539	2.2
139.11191	7.7
141.06996	3.0
143.07030	6.3
143.08592	9.9
143.10712	3.1
144.09312	3.4
145.06551	4.5
145.10132	64.5
146.10446	3.0
147.08141	3.4
147.11693	6.0
149.09639	7.1
149.13315	6.0
151.07538	7.6
153.01884	5.8
155.07040	7.6
155.08502	5.1
156.09378	3.3
157.10147	8.9
158.10544	3.3
159.08098	3.1
159.11707	31.5
161.09656	4.1
161.13301	3.5
163.11206	28.0
167.07080	8.6
167.14272	3.2
169.10124	4.3
171.08003	2.6
171.11717	3.9
172.08888	2.9
173.04463	6.8
173.09624	25.4
173.13229	4.8
181.05057	11.7
181.12265	13.7
183.11711	3.6
185.09544	2.2
185.13228	4.7
187.11186	38.1
187.14824	12.9
189.09103	2.9
189.12737	2.8
191.10649	28.5
197.09680	3.3
199.14867	4.3
201.12787	2.4
201.16472	5.3
203.14278	3.4
205.12242	22.5
207.10085	2.6
209.08092	3.0
209.11710	23.5
213.16304	4.8
215.10660	26.3
218.05821	2.3
219.17485	6.1
227.12724	2.8
233.08061	6.1
233.11729	25.8
251.12749	20.5
255.08694	5.1
269.13907	7.2
271.06042	48.1
272.06372	100.0
273.06641	6.8
273.09671	8.2
289.85693	2.4
311.14944	10.5
321.13455	4.6
329.16003	6.3
335.14713	4.3
339.14453	8.1
341.18481	2.2
353.15936	4.1
363.14465	10.5
381.15475	59.7
382.15817	4.1
389.94403	2.3
399.16519	41.8
400.16968	4.8
417.15637	3.9
434.31845	3.2
435.28778	13.3
448.54507	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	434.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.01879	1.7
55.05518	1.6
57.03433	3.5
67.05507	6.1
69.03449	2.8
69.07063	6.0
69.74742	5.4
70.06609	10.1
71.04996	6.3
72.08150	1.5
79.05492	9.7
81.03419	4.0
81.07075	2.8
81.82207	1.4
84.08144	1.5
85.02913	3.9
86.09721	4.6
91.05482	7.8
93.07056	3.4
95.04962	3.7
95.08614	3.4
97.06543	8.9
98.22754	1.6
101.55619	1.3
103.05453	2.5
105.07038	8.8
106.00018	1.3
107.04976	2.6
109.06512	1.3
109.10162	1.3
115.07594	3.8
117.07028	6.0
119.08574	2.5
120.08125	2.6
123.08105	4.2
127.03898	1.8
128.06230	1.9
128.56439	1.4
129.06998	2.5
131.08565	3.6
133.06540	1.5
135.07997	1.5
135.11919	1.3
137.05934	3.2
144.06590	3.4
145.06448	2.1
145.10110	2.8
147.04378	2.0
147.08130	2.1
151.07532	1.7
155.08534	2.2
156.83148	1.2
157.10103	2.0
167.07104	2.5
173.13330	1.9
177.05467	1.4
181.04926	2.5
192.01718	1.5
201.12744	2.0
219.13734	6.7
226.06209	1.3
233.08043	1.6
254.11987	1.6
435.16272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22276	2.6
53.03947	3.3
55.01872	5.4
55.05512	9.2
65.03968	3.5
67.05504	13.5
67.70530	2.5
68.99774	2.4
69.03435	9.7
69.07068	12.8
70.31503	2.2
71.04987	11.2
71.30792	3.2
79.05482	14.5
79.57116	2.4
81.03413	2.6
81.07052	26.6
83.04973	6.0
83.08607	4.3
85.02887	10.2
85.06546	7.6
85.21241	2.2
91.05488	16.3
93.07040	25.9
95.04961	24.0
95.08599	20.0
97.02899	6.0
97.06507	8.9
99.04474	5.3
101.06065	3.5
103.03932	3.1
105.07024	27.7
106.07365	4.3
107.04971	5.3
107.08596	20.5
108.08117	2.4
108.08891	4.0
109.02860	2.3
109.06521	10.5
109.10167	9.5
111.08073	4.6
117.07037	7.1
119.08580	18.8
121.06456	2.9
121.10132	18.1
123.11671	5.6
125.06011	4.3
125.09618	6.9
127.03894	5.6
129.06969	3.3
130.69751	2.3
131.08556	12.4
133.10138	19.1
134.10397	2.8
135.04486	3.0
135.08067	4.7
135.11719	8.9
136.07570	3.5
137.05975	6.4
139.11211	3.0
143.08479	3.5
143.10669	9.1
145.05017	3.4
145.10132	35.5
146.10454	4.0
147.11705	7.0
149.06020	3.4
149.13271	9.4
151.07510	2.9
151.11180	3.1
153.01840	5.4
153.05424	3.0
154.02191	3.1
155.07045	3.8
156.09319	2.7
157.10164	6.2
158.10487	3.4
159.08162	3.9
159.11684	16.9
160.12057	2.5
161.13277	3.7
163.11183	6.9
167.07034	8.6
167.14328	15.9
169.10065	5.9
169.12209	3.5
171.11726	4.7
173.04466	5.6
173.09593	6.3
173.13272	5.2
175.14865	4.1
181.05002	12.9
181.12218	4.5
185.13248	3.1
187.11130	12.5
187.14830	5.7
189.16402	2.7
189.32198	2.6
191.10677	8.0
199.14821	3.0
201.16411	9.3
202.16725	3.9
203.17976	2.5
205.12273	6.8
208.00998	2.9
209.11687	4.6
215.10660	8.3
219.17465	16.0
233.08076	3.8
233.11746	8.3
237.18629	3.7
251.12875	6.3
271.06021	48.7
272.03406	5.6
272.06335	100.0
273.06558	8.5
273.09457	3.3
311.10507	4.3
311.14819	3.9
321.13397	2.8
329.16016	4.3
363.14459	5.3
371.12250	4.8
381.15515	15.5
399.16418	8.9
403.14828	3.2
417.15540	4.9
434.31522	16.9
436.76974	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	434.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67079	1.6
52.81863	1.5
53.03954	2.4
53.87545	1.4
55.01869	4.4
55.05505	2.1
57.03432	5.5
61.02915	3.5
65.03961	2.2
67.05495	4.8
69.03423	12.3
69.07066	4.1
71.04348	2.3
71.05003	8.1
73.02914	24.7
79.05504	8.0
81.03416	3.3
81.07085	8.0
83.04964	1.5
83.08646	1.8
85.02909	21.8
85.06544	2.3
86.09683	2.6
91.05479	8.7
93.07048	8.6
95.04971	7.5
95.08614	8.3
97.02892	16.9
99.04467	2.9
103.05479	4.1
105.07029	100.0
106.07409	1.9
107.04945	7.7
107.08611	5.2
109.02902	4.4
109.06534	2.2
109.10138	3.1
115.03931	7.0
115.05423	2.2
117.07024	3.9
119.08621	8.4
119.09322	1.6
119.47779	1.4
119.72279	1.7
121.06509	5.6
121.10126	6.4
123.08034	2.4
123.11716	3.1
123.83078	1.6
125.09642	4.7
127.03894	8.8
128.06232	3.2
129.07027	5.3
129.14861	1.4
131.08572	5.8
133.04970	6.5
133.06479	2.9
133.10132	11.2
135.08044	2.0
135.11758	2.7
137.06013	2.3
143.08575	4.9
143.10677	5.2
145.04926	7.6
145.06470	2.8
145.10152	6.0
147.08034	6.7
147.11641	2.0
149.09613	3.2
149.13261	2.9
151.07492	2.3
151.11166	2.9
153.05434	2.1
157.06487	3.2
157.10202	1.5
159.08043	4.0
161.05977	4.9
161.09636	2.4
161.13216	1.7
163.06042	4.9
163.07486	1.7
167.07060	17.0
167.14328	7.6
171.08028	3.4
172.05226	2.3
173.05931	3.4
173.09677	1.7
177.05420	1.9
181.04987	14.6
181.08507	7.7
182.05353	2.6
189.09143	9.7
201.16483	2.2
207.10283	2.3
218.05742	2.1
219.10179	4.0
219.17436	8.8
221.08080	2.8
223.05888	1.7
233.08102	15.0
237.14764	2.7
237.18462	2.1
241.07031	3.0
253.08479	2.5
263.09183	1.9
285.11044	2.5
317.13867	2.0
343.15402	2.7
347.22650	2.2
359.15195	1.8
360.15668	6.0
361.16525	4.3
417.15479	6.2
435.16174	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01873	3.0
55.05517	2.4
56.56762	1.8
57.03442	6.3
57.98943	1.8
61.02934	4.3
62.50894	1.4
67.05488	3.4
69.03431	13.6
69.07066	2.0
71.01378	2.1
71.05006	5.6
71.69791	1.5
73.02928	23.5
76.02364	1.6
79.05505	6.9
81.03418	2.7
81.07046	8.9
85.02913	24.1
86.09742	1.8
91.05502	6.7
93.07053	6.4
95.04977	5.0
95.08622	6.3
95.59892	1.8
97.02915	15.8
97.06516	2.7
98.23363	3.2
99.04449	4.0
99.08087	2.3
103.05481	2.5
105.07035	100.0
106.07380	3.6
107.04979	5.3
107.08570	7.4
109.02871	1.9
109.10161	4.1
115.03933	7.8
115.05421	2.1
117.07053	3.6
119.08579	8.4
121.06548	2.9
121.10174	5.2
123.11729	4.2
125.06007	2.2
125.09661	2.9
127.03935	10.6
129.07033	3.2
131.08588	4.7
133.04976	9.8
133.06506	1.8
133.10127	14.4
135.08109	2.0
136.07631	1.5
143.08617	4.2
143.10707	5.9
145.04988	8.5
145.06494	3.4
145.10132	5.6
147.08083	5.7
147.11726	3.3
149.13274	4.1
150.07637	1.9
151.11214	3.5
153.05429	1.6
153.06873	1.6
154.47087	1.5
155.08449	1.5
157.06564	3.9
159.08051	3.9
159.11743	2.5
161.06010	4.8
161.09630	2.4
163.06082	2.7
163.07475	2.1
165.06990	1.8
167.07062	13.1
167.14297	10.5
171.08014	2.9
173.06042	2.0
174.06839	1.4
175.07494	1.8
177.09122	1.6
178.09421	1.8
181.04980	12.8
181.08626	5.1
182.05547	1.5
189.09161	5.7
201.05505	1.9
201.09093	3.8
201.16379	2.7
205.08781	1.7
218.05870	2.8
219.10165	3.4
219.17450	11.2
221.08116	1.9
228.67152	1.7
233.08047	11.2
237.14775	2.5
237.18555	2.5
241.06989	1.9
263.09213	2.2
315.12253	1.9
346.14282	1.8
360.15375	2.4
361.16467	2.4
367.84073	1.6
390.05948	1.5
417.15329	6.7
434.15546	2.9
435.16589	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1266
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
56.49032	0.5
67.05489	0.9
69.03432	0.5
69.07045	0.4
71.31634	0.7
77.52225	0.4
79.05504	1.0
79.72500	0.5
81.07046	0.6
83.04961	1.3
85.02911	1.9
91.05489	1.4
92.43099	0.5
93.07039	1.5
95.04987	0.7
95.08627	1.0
103.05477	1.1
105.07027	1.3
106.04183	0.7
107.04968	0.8
107.08585	1.6
109.06497	0.6
111.04468	0.7
117.07041	0.5
119.08612	1.1
121.06484	1.2
121.10146	1.1
131.08499	0.8
133.10165	0.7
136.35672	0.4
137.05956	1.0
143.08557	1.0
145.06496	0.6
145.10156	0.8
146.03386	0.5
147.11739	0.6
149.05960	1.5
159.11740	1.3
161.05986	0.7
161.13275	0.5
167.03221	0.7
167.07051	3.1
169.10066	0.6
170.32721	0.5
171.06496	0.9
171.11684	0.6
172.05083	0.5
173.13284	0.9
177.05522	1.1
181.04936	4.1
181.08611	1.0
182.42943	0.4
185.04269	0.6
186.06577	0.9
187.07283	0.9
187.11264	0.5
187.14905	0.5
193.04831	0.4
203.14388	0.5
209.08072	1.1
218.05652	0.5
227.05325	2.8
233.08197	2.1
271.04218	4.2
284.91281	0.5
349.12558	6.8
373.12689	1.4
391.13632	49.6
392.13916	3.5
417.15314	1.7
435.12628	100.0
435.32608	1.6
436.12878	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	435.1266
Annotation	3',5'-Dihydroxy-3,5,6,7,8,4'-hexamethoxyflavone
Peak:m/z	Relative Intensity
60.04525	9.7
65.39852	4.1
67.75656	4.6
70.06607	9.4
71.30676	4.9
72.08156	7.5
74.06084	7.6
74.64391	4.2
84.08154	8.5
85.02901	8.9
86.09701	19.7
98.97598	5.8
124.22924	4.1
129.10262	6.1
211.61786	4.7
289.73401	4.5
391.92346	4.4
394.83511	4.3
435.12076	100.0
435.17084	24.0
436.12891	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	435.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40650	4.3
60.78830	5.2
65.03948	11.0
66.23184	4.3
70.74593	9.7
71.90838	5.3
79.05495	18.5
81.07068	6.0
85.02941	5.3
91.05499	6.7
95.04945	5.3
95.08593	5.9
107.04958	27.8
115.05473	13.6
117.07010	12.8
119.08566	6.1
123.04435	4.5
124.05216	4.6
131.08589	7.9
133.06551	8.7
137.05936	6.4
144.05722	8.3
145.06482	25.5
145.10152	6.2
149.06064	4.7
153.12732	15.4
155.06033	8.4
157.06445	9.5
157.10207	5.8
161.05945	18.2
167.07048	75.8
168.54390	4.6
172.05190	16.7
173.05925	12.5
181.04961	91.2
181.06473	8.5
185.06181	5.2
187.07518	9.7
189.05545	7.9
190.06218	12.1
201.05435	7.1
201.16489	5.5
205.08624	12.5
218.05765	8.6
219.08218	7.3
221.08063	22.0
231.06499	5.1
233.08098	100.0
235.09695	5.4
245.08075	7.0
251.09161	10.5
263.06784	6.0
263.09259	21.7
273.06580	5.0
322.28592	4.9
331.08081	8.8
355.11606	5.0
359.00272	4.7
367.11893	8.4
387.14337	9.6
399.14542	7.0
417.15521	93.8
435.14081	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40650	4.3
60.78830	5.2
65.03948	11.0
66.23184	4.3
70.74593	9.7
71.90838	5.3
79.05495	18.5
81.07068	6.0
85.02941	5.3
91.05499	6.7
95.04945	5.3
95.08593	5.9
107.04958	27.8
115.05473	13.6
117.07010	12.8
119.08566	6.1
123.04435	4.5
124.05216	4.6
131.08589	7.9
133.06551	8.7
137.05936	6.4
144.05722	8.3
145.06482	25.5
145.10152	6.2
149.06064	4.7
153.12732	15.4
155.06033	8.4
157.06445	9.5
157.10207	5.8
161.05945	18.2
167.07048	75.8
168.54390	4.6
172.05190	16.7
173.05925	12.5
181.04961	91.2
181.06473	8.5
185.06181	5.2
187.07518	9.7
189.05545	7.9
190.06218	12.1
201.05435	7.1
201.16489	5.5
205.08624	12.5
218.05765	8.6
219.08218	7.3
221.08063	22.0
231.06499	5.1
233.08098	100.0
235.09695	5.4
245.08075	7.0
251.09161	10.5
263.06784	6.0
263.09259	21.7
273.06580	5.0
322.28592	4.9
331.08081	8.8
355.11606	5.0
359.00272	4.7
367.11893	8.4
387.14337	9.6
399.14542	7.0
417.15521	93.8
435.14081	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	1.5
69.03443	0.6
69.61293	2.1
70.06593	1.0
72.08147	1.1
81.03407	0.7
81.28627	0.4
84.08135	0.7
85.02908	1.7
86.09712	0.9
86.85223	0.4
86.85760	0.4
95.99618	0.4
97.02872	0.6
98.23309	0.8
98.97578	0.5
110.06033	0.4
120.08105	0.9
121.02911	0.7
129.10219	0.6
151.17117	0.4
158.08501	0.4
163.03912	1.6
255.11182	0.6
273.07559	1.0
273.11823	0.5
303.10504	6.7
303.13629	0.8
417.16406	0.6
435.14679	100.0
436.15121	7.4
436.22043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16971	0.4
56.05037	0.6
60.04515	0.8
64.79040	0.4
70.06593	2.3
71.31609	0.5
72.08157	1.0
84.08151	0.8
86.09692	3.7
90.62920	0.4
102.05592	0.4
103.05406	0.5
113.02075	0.5
115.60413	0.4
120.08123	1.1
121.01455	0.4
125.02056	0.5
128.95403	0.5
131.04968	1.3
132.05232	0.8
137.05807	1.8
148.05191	0.7
149.05585	0.6
157.04713	0.7
163.07535	1.2
164.07884	1.0
169.04707	1.3
176.30869	0.6
201.03751	1.1
203.05363	1.1
233.08037	0.8
238.11400	0.8
271.05920	1.1
272.06476	0.8
273.06674	1.8
287.09653	2.7
288.20395	0.5
329.10855	1.7
330.11111	0.5
435.16254	100.0
436.16531	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.3
55.05509	6.4
58.68734	1.3
65.03938	8.4
67.05508	4.6
69.03428	3.2
71.31512	1.7
71.32526	1.7
78.04732	1.7
79.05492	6.8
81.03416	4.6
81.07066	3.8
82.04218	3.5
83.08629	1.7
85.02905	6.3
89.03901	1.7
91.05475	6.6
93.03399	1.6
93.07034	3.9
93.94273	1.4
95.04968	4.7
95.08577	1.8
96.57214	1.4
97.06515	3.6
100.11271	9.6
100.51891	1.5
103.05476	3.8
105.07034	3.9
106.04186	5.0
107.04957	17.4
107.08593	2.6
108.02132	1.9
109.02901	1.8
110.03678	3.3
111.04452	5.7
115.05447	5.2
116.06290	1.6
117.07002	6.0
118.63142	1.3
119.08591	2.9
121.06522	5.5
123.04436	3.3
124.05243	3.8
125.05984	5.5
127.03897	4.7
128.06218	3.2
129.07001	3.4
131.04945	4.0
131.08578	3.2
133.06511	2.4
137.05972	2.7
138.03168	1.5
141.06995	2.4
142.02632	2.5
144.05667	4.5
145.06451	8.4
147.04401	1.9
149.05948	7.5
153.01860	3.1
153.05368	2.8
153.09055	2.1
155.06042	1.7
157.06529	4.4
157.10052	1.6
159.08038	4.3
161.05966	4.2
165.97583	1.4
167.07040	50.7
171.06496	4.2
172.05219	12.1
173.05943	6.0
175.07503	2.2
177.05475	6.0
181.04955	100.0
181.08536	4.9
182.05371	4.5
182.15425	7.3
187.07524	9.1
187.14886	4.1
189.05565	3.1
189.09181	1.7
190.06270	1.9
191.07031	2.5
191.10660	2.0
195.06450	2.1
197.13383	1.8
200.04648	4.0
201.05464	7.8
205.08517	4.8
206.05768	2.8
209.08092	9.0
210.14841	8.8
217.08653	3.0
218.05684	9.2
219.06483	2.6
219.10152	4.1
221.08138	6.0
231.06546	1.6
233.08081	64.4
234.08429	3.3
235.09747	3.1
245.08154	3.4
251.09180	4.6
263.09225	10.0
273.07547	3.3
285.35187	1.4
307.09848	1.6
323.08911	1.7
339.12250	2.3
344.12534	1.9
355.11810	2.6
360.48386	1.7
367.11746	3.6
381.13361	2.2
384.12433	1.6
387.14410	10.3
399.14352	6.5
417.15390	28.7
435.14148	7.3
435.19983	1.8
435.33035	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.0
53.03942	2.0
55.01862	1.4
55.05513	37.3
57.07073	2.5
58.08442	0.8
65.03928	5.2
67.05506	3.0
69.03413	2.1
69.07060	2.3
70.06586	2.9
70.44259	2.7
71.11279	0.7
77.03909	0.9
79.05492	11.6
80.68240	0.9
81.03420	2.7
81.07051	3.0
82.04207	2.2
82.06107	1.4
82.06583	19.1
83.04998	3.9
83.08621	31.3
83.09117	1.9
84.08134	2.8
85.02918	4.7
85.06551	2.5
86.09742	1.2
91.05481	6.2
93.03429	1.0
93.07083	1.2
94.54546	0.7
95.04971	3.1
96.08136	1.0
97.02864	1.2
97.06542	2.3
98.09691	4.2
100.07616	11.4
100.11259	100.0
101.11559	1.5
103.05477	3.3
105.07036	3.3
107.04963	27.2
108.02098	1.0
108.08775	0.8
108.22409	1.0
109.06514	0.8
110.03669	2.8
110.06032	9.3
111.04440	17.4
112.07595	5.5
115.05467	7.7
115.51026	1.0
116.06236	1.6
117.07014	8.5
117.13892	2.1
118.11446	0.9
119.04944	1.5
119.08559	1.7
120.02104	0.9
121.06442	0.9
123.04413	2.8
124.05208	4.0
125.06022	3.2
126.09148	5.2
127.03905	1.0
127.05426	1.4
127.08692	5.7
128.06203	1.3
128.07079	9.9
129.05504	1.2
129.07022	2.6
131.04907	4.5
131.08585	2.5
133.02776	0.9
133.06480	6.9
134.03700	0.9
137.05959	2.5
138.03104	1.5
139.07663	1.5
139.08672	10.7
140.07047	4.0
141.06998	1.8
142.02638	1.7
143.04912	2.0
143.08591	1.2
144.05701	5.2
145.06480	21.1
145.10123	0.8
147.04419	3.3
147.08035	2.5
147.11676	1.4
149.06029	1.4
152.04710	1.8
153.05498	3.2
155.04929	1.8
155.06052	5.4
156.05685	1.7
157.06487	5.0
159.04448	1.7
159.08101	2.7
160.05272	1.3
161.05995	12.1
164.14391	1.6
165.05498	1.6
166.02612	1.4
166.15945	1.5
167.07047	72.2
168.07318	2.2
171.06584	2.3
172.05185	11.7
173.06001	11.8
174.06703	1.4
174.12769	1.1
175.03902	1.4
175.07571	5.6
177.05440	2.3
177.09125	1.0
179.07188	0.9
181.04961	69.2
182.05310	2.0
182.15414	62.4
183.06531	1.1
183.15726	1.6
185.06038	2.2
186.03191	1.2
187.03876	1.0
187.07559	6.2
189.05516	5.8
190.06209	6.8
191.07057	1.6
191.10771	1.1
192.13864	2.7
195.06535	2.5
200.04739	3.2
201.05478	9.7
202.06085	1.2
203.07079	3.3
203.08730	0.9
205.08601	11.8
206.05727	4.4
207.06366	1.4
207.08170	1.7
207.10126	1.8
209.14865	0.7
209.16495	52.0
210.14891	62.2
210.16518	2.4
211.15276	2.3
213.05463	2.0
217.08629	3.6
218.05737	16.1
218.07617	1.4
219.06372	5.2
219.08376	1.9
219.10233	2.2
221.06065	1.5
221.08061	15.8
226.19139	36.4
227.17575	1.7
227.19637	1.0
228.15968	5.3
231.06557	2.8
233.08078	90.1
234.08563	4.3
235.07535	3.0
235.09692	6.2
236.08252	1.4
245.08067	5.7
246.06805	1.1
247.07597	1.7
249.05414	1.5
251.06819	1.6
251.09085	11.4
255.06760	1.0
263.06879	2.1
263.09247	14.9
264.07718	1.9
265.04980	1.4
268.11014	1.1
269.08142	1.0
270.05377	1.0
277.08679	2.6
278.05884	1.3
278.09265	1.2
279.06781	0.9
279.09991	1.8
280.03738	1.3
280.07407	2.4
281.07782	1.4
285.07526	1.4
292.07428	1.6
293.08041	1.7
295.09604	2.3
301.19727	1.0
307.09601	2.8
308.06854	1.0
308.27185	1.6
309.07602	2.9
309.25250	1.9
311.09158	1.0
323.08997	1.9
324.09836	2.0
325.10785	1.1
327.12357	1.2
331.08102	5.5
335.09036	1.2
335.24353	4.4
336.22812	33.9
337.07098	1.2
337.23239	2.0
339.12256	4.5
346.10339	2.8
352.09586	1.1
353.10315	1.9
355.11734	3.1
367.11691	5.8
368.12436	1.6
368.73166	0.8
371.14975	2.0
372.11911	1.5
373.12833	1.3
381.13376	1.2
384.12082	1.8
387.14288	7.3
399.14392	6.9
402.13010	0.8
405.15454	3.2
417.15445	91.1
417.32053	5.3
418.15701	7.6
435.16431	3.8
435.33310	88.7
436.33356	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01876	2.0
55.05524	1.0
65.03953	4.2
65.42371	0.8
67.05515	3.0
69.03430	2.5
69.73199	4.4
72.00972	1.0
78.04720	1.8
79.05505	8.9
81.03429	2.6
81.07064	4.8
85.02918	4.6
91.05482	6.1
93.07078	2.8
95.04966	3.8
95.08619	2.1
97.02928	2.2
97.06575	1.7
98.15996	1.0
98.69130	1.0
98.97562	0.9
103.05484	3.4
105.07021	6.2
106.04192	1.5
107.04961	22.0
107.08591	2.6
109.10155	1.8
110.03712	1.8
115.05436	9.3
116.06220	1.3
117.07015	11.6
119.08620	4.1
120.02080	1.4
121.06518	1.8
123.04430	2.7
123.11695	1.3
124.05251	4.5
125.06013	2.3
127.03915	1.2
127.05460	1.0
128.06229	2.2
129.07031	3.7
131.04936	3.8
131.05878	1.2
131.08586	3.0
133.06483	5.8
133.10139	1.5
135.11780	2.3
137.05988	1.7
138.03183	1.2
141.06992	1.6
142.02635	2.6
144.05705	3.7
145.06506	20.0
147.04440	3.2
147.08089	3.7
147.11752	1.5
152.04732	3.0
153.05455	1.9
153.12735	2.5
155.04939	2.1
155.06058	5.8
156.05708	2.4
157.06522	6.1
159.04404	1.3
159.08090	2.7
160.05164	1.2
161.05998	13.8
165.05571	1.4
166.02603	1.0
167.07051	56.5
168.07437	2.1
171.06664	1.9
172.05220	10.5
173.05997	12.7
174.06714	1.3
175.03835	1.6
175.07614	4.5
177.05545	1.5
181.04970	59.3
182.05334	2.5
183.06578	1.2
184.05121	1.5
185.06041	2.1
187.07594	4.5
189.05461	9.0
190.06235	6.8
191.07007	2.5
191.08623	1.2
191.10626	1.5
195.06497	2.8
200.04724	4.1
201.05457	10.2
202.06158	1.7
203.03400	1.3
203.06999	1.5
205.08617	13.6
206.05756	5.5
206.09019	1.8
207.08304	1.2
210.06854	1.3
213.05504	3.0
217.08655	3.7
218.05710	15.7
219.06387	5.5
219.10172	2.9
221.08061	19.0
221.09973	1.3
224.04745	1.3
230.05786	1.4
231.06421	2.5
233.08102	91.9
234.08456	5.3
235.07564	2.4
235.09735	5.7
236.50150	1.0
245.08012	5.5
247.07477	2.3
249.05585	1.6
251.06856	1.5
251.09105	10.4
263.06833	1.7
263.09213	15.3
264.07669	2.7
265.08502	1.8
271.05978	4.9
272.06461	4.1
273.06561	7.3
273.12277	1.8
276.07864	1.2
277.08749	1.8
282.08890	1.1
291.06583	1.5
293.08124	2.2
295.09692	2.2
307.09592	2.1
308.07272	1.2
309.07559	2.7
320.06897	1.3
323.09106	1.7
327.12210	2.0
331.07996	5.8
335.09192	1.4
337.06961	2.2
339.12329	3.6
346.10522	4.1
353.10281	1.8
355.11639	3.6
367.11728	5.8
368.12567	1.4
369.09421	1.6
371.15262	1.9
372.12079	2.2
373.12827	1.8
381.13220	1.3
384.12103	2.3
387.14044	5.3
399.14389	6.3
405.15533	2.6
417.15463	100.0
418.15726	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	435.163
Annotation	Psychrophilin B
Peak:m/z	Relative Intensity
55.01870	0.6
57.03439	1.0
59.52227	0.4
64.32750	0.5
65.35400	0.4
67.05502	0.5
69.03426	1.3
69.15414	2.4
69.15810	1.1
70.06597	1.3
71.04998	1.0
73.02919	2.9
79.05494	1.0
81.03416	0.5
85.02917	3.8
86.03253	0.7
86.09715	1.1
90.06799	0.4
91.05474	1.3
92.66882	0.5
97.02907	2.2
105.07034	2.9
105.38342	0.5
106.07356	0.9
107.04953	0.8
107.22324	0.5
115.03963	1.0
119.08575	0.6
121.06510	0.7
122.03702	0.4
123.32529	0.5
127.03930	0.7
129.07025	0.6
131.08577	2.5
133.04982	0.9
133.10168	0.5
135.08054	0.7
137.05978	1.0
140.91194	0.6
143.08633	0.8
145.04985	1.3
145.06555	0.6
145.10115	1.6
146.05281	0.5
157.10106	0.6
159.11702	0.5
161.05954	0.5
161.09644	0.9
163.06007	0.8
165.05510	1.4
167.07069	2.6
171.11606	0.6
172.05176	0.8
173.13339	1.4
181.04964	5.4
182.05305	0.8
185.13318	1.1
187.14902	0.5
189.12856	0.9
199.14967	0.9
201.05579	0.6
203.05438	0.5
203.14381	0.7
224.06912	0.5
233.08113	4.2
263.09265	0.6
272.07928	0.5
273.11127	1.1
369.13281	0.5
405.14380	1.1
417.15741	2.4
417.27823	0.7
435.16263	100.0
435.28876	1.9
436.16711	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	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03944	2.5
55.01878	1.8
65.03947	7.7
65.47936	0.8
67.05489	4.1
69.03431	4.4
69.07090	0.8
70.06611	0.9
70.61288	0.7
71.05005	1.6
71.31746	1.0
71.61668	0.8
73.17433	0.7
77.58235	1.0
78.04726	1.1
79.05490	8.0
81.03424	4.7
81.07050	3.7
82.04204	3.4
83.04989	1.6
85.02902	5.0
86.30952	0.8
91.05480	5.9
93.03394	2.0
93.07040	2.3
94.04202	0.9
94.92992	0.7
95.04957	3.4
95.08617	2.7
97.02882	1.4
97.06547	2.1
103.05444	1.8
105.01876	0.8
105.04532	1.0
105.07047	2.8
106.04191	1.6
107.04958	16.6
107.08606	1.7
108.02125	1.5
109.06453	0.8
110.03664	4.2
111.04481	1.6
115.05467	4.5
116.06262	1.2
117.07004	4.3
119.04921	1.0
119.08569	2.2
121.06476	1.9
122.03693	0.9
123.04444	3.6
124.05254	3.9
125.06004	2.8
127.03899	4.3
128.06230	1.9
129.07008	4.3
131.04936	2.4
131.08571	3.5
133.02782	0.8
133.06496	2.8
135.11696	1.9
137.05997	1.9
138.03110	2.0
141.07033	2.1
142.02658	1.9
143.04947	1.0
143.08618	1.0
144.05672	4.6
145.06496	9.6
145.10152	0.9
147.04404	1.7
147.08038	2.7
149.05992	1.5
152.04718	0.8
153.05495	2.5
153.12747	6.9
155.04929	0.9
155.06003	1.9
155.07133	1.2
157.06464	3.9
157.10201	1.5
159.04379	1.3
159.08060	5.0
159.11697	1.7
161.05978	5.8
166.02654	1.5
167.07045	54.8
168.07417	1.0
171.06561	4.1
172.05200	11.9
173.05974	8.0
173.13177	1.5
175.07573	3.2
177.05418	2.4
177.09125	1.1
181.04959	100.0
182.05270	2.5
183.06604	1.1
183.11737	1.1
185.13184	1.1
187.07527	9.7
187.14844	1.9
189.05525	3.7
190.06291	1.4
191.06976	2.3
191.10652	2.2
193.05002	1.2
195.06587	2.8
200.04744	4.7
201.05437	6.6
201.16521	1.0
202.06198	1.3
203.06990	1.5
205.08533	4.4
206.05760	2.6
209.08055	2.0
217.08575	1.9
218.05753	7.7
219.06404	1.7
219.08218	1.4
219.10043	4.9
221.08057	8.0
231.06357	1.4
233.08084	69.8
234.08534	2.2
235.07509	1.4
235.09607	2.0
245.08118	2.5
246.06705	0.9
247.07619	1.3
251.09142	2.9
256.32874	0.8
263.06870	1.5
263.09235	12.2
264.07748	0.9
271.05994	0.8
273.06635	1.4
277.08499	1.2
279.06256	1.0
279.10086	1.5
295.09573	2.0
307.09665	2.3
323.09094	1.1
324.09918	0.9
325.10788	1.3
339.12311	2.3
344.12961	1.1
346.10364	1.0
355.11850	3.4
357.13327	1.0
367.11652	2.5
371.15045	1.8
372.12122	1.2
373.12756	1.0
381.13187	1.3
387.14334	10.3
399.14407	5.8
417.15445	35.1
418.15863	2.2
434.31412	1.8
435.20010	1.8
435.27499	4.7
435.33023	1.2
457.37827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1843
Annotation	Lonchocarpic acid
Peak:m/z	Relative Intensity
53.02533	0.2
56.05040	0.3
57.03428	0.3
60.04531	5.0
62.59054	0.3
69.03423	0.6
69.39034	1.6
70.06581	1.3
71.04988	1.4
72.04517	0.4
72.08162	0.8
73.02922	0.3
74.06107	0.5
79.05499	0.7
81.07067	0.4
83.33179	0.3
84.08164	0.5
85.02920	1.3
86.09709	1.3
90.05566	1.2
93.07068	0.4
97.02943	0.7
105.07040	0.4
107.04967	0.6
119.08561	0.5
120.08124	1.3
121.06474	0.4
124.07610	0.5
133.02939	0.3
133.10129	0.3
135.04411	0.3
136.07582	0.4
143.08505	0.3
145.04976	0.4
149.05972	0.5
151.11232	0.4
160.48987	0.3
167.07059	0.5
173.13246	0.7
174.53589	0.3
191.14349	0.6
193.27831	0.3
255.11369	0.9
273.07797	0.4
273.12424	1.3
301.07999	0.3
303.14157	2.8
375.13483	0.5
411.00793	0.3
435.18384	100.0
436.18799	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	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03942	3.0
55.05515	20.0
57.03429	11.9
60.16138	2.3
67.05508	48.5
69.07061	23.4
70.57171	7.8
72.98576	2.6
79.05499	15.0
81.07053	50.6
82.92764	2.8
83.08625	15.6
91.05481	11.2
93.07059	17.1
95.08598	42.1
97.10178	8.3
98.98462	69.2
105.07026	9.6
107.08570	12.7
109.06513	6.4
109.10154	21.7
109.26328	2.6
119.08600	5.9
121.10124	9.0
123.10915	2.5
123.11676	13.5
133.10120	9.7
135.11708	6.9
137.13222	3.6
147.11697	7.4
149.13213	5.0
155.01036	14.0
161.13263	3.8
163.14780	3.6
173.02106	8.7
245.22646	9.6
263.23779	15.2
337.27338	100.0
338.27582	7.2
346.51343	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39647	5.8
55.05508	23.3
57.03448	10.3
60.59290	6.2
67.05505	52.3
68.94666	6.9
69.07075	30.4
70.83094	13.5
71.44570	6.2
79.05504	21.7
81.07065	70.1
83.08636	19.9
85.47353	6.1
91.05486	13.5
93.07062	17.6
95.08622	63.9
97.10140	6.2
98.98474	100.0
105.07029	17.5
107.08602	14.6
109.06537	10.7
109.10181	33.9
116.52084	6.3
119.08546	10.3
121.10207	10.8
123.08135	6.8
123.11720	8.9
125.09673	8.2
131.08582	7.2
133.10123	16.3
135.11713	11.8
147.11732	6.8
155.01001	41.3
163.14882	6.6
173.02065	8.0
185.05069	7.4
245.22635	14.4
263.23685	29.6
274.53412	8.2
337.27420	75.4
358.30142	8.1
441.73859	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	435.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	26.0
57.03437	10.4
57.07072	5.3
67.05168	5.4
67.05508	51.6
68.19637	3.1
69.07068	26.5
69.97549	10.2
69.97887	3.8
79.05491	14.6
81.07059	54.6
83.08616	11.2
91.05483	12.7
93.07030	15.5
93.23994	3.2
95.08599	50.7
97.06553	4.6
97.10172	5.4
98.98469	88.7
105.07047	8.9
107.08601	9.8
109.10166	18.0
117.37563	3.5
119.08582	7.7
121.10129	13.1
123.11720	9.3
133.10123	9.2
137.09517	3.8
147.11681	6.4
149.13287	5.0
152.16115	3.1
155.01038	20.3
161.13272	7.3
173.02121	11.4
245.22685	9.9
263.23578	20.4
297.40967	3.5
337.27362	100.0
338.27686	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	435.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02576	1.4
53.03946	1.5
54.86130	1.3
55.05508	9.9
57.07075	5.4
59.05001	2.3
65.03926	1.8
67.05505	16.7
69.03428	3.5
69.07076	13.5
71.04996	3.7
71.08627	1.8
71.31751	1.3
77.29219	1.1
79.05499	13.2
81.03445	1.5
81.07062	24.5
83.04980	3.4
83.08632	4.8
85.06556	6.1
91.05490	22.2
93.07050	26.2
95.04967	5.6
95.08612	27.8
97.06526	2.8
97.10188	3.8
98.98460	7.3
99.08097	1.5
103.05466	1.7
105.07040	31.9
107.08592	21.7
109.06524	100.0
109.10163	12.7
110.06873	3.2
111.08092	5.3
117.07014	7.0
119.08576	27.8
120.08967	1.9
121.06522	5.9
121.10149	19.6
123.08057	15.4
123.11747	8.2
125.06010	1.8
128.06224	2.9
129.07042	6.3
130.07791	2.2
131.08574	15.3
133.06511	3.2
133.10127	22.6
135.08043	13.2
135.11703	8.6
137.09604	6.8
137.13277	3.0
141.07042	3.7
142.07785	7.4
143.08583	13.0
145.06549	2.1
145.10130	21.0
147.08064	8.0
147.11652	7.5
149.09636	4.9
149.13278	3.2
151.07552	23.0
153.07079	1.4
153.09138	1.6
155.08537	9.0
156.09349	6.5
157.10123	19.0
158.10934	1.5
159.08046	2.7
159.11717	10.3
161.09631	8.8
161.13286	5.7
163.11163	4.3
163.14813	1.4
165.06999	2.6
165.09119	6.9
167.08554	3.7
168.09361	4.5
169.10135	14.2
170.10956	3.1
171.11673	13.8
172.12422	1.8
173.02104	1.4
173.09637	5.0
173.13229	8.2
175.11217	6.1
175.14838	6.2
177.09151	1.9
177.12785	1.9
179.08575	3.0
181.10104	3.5
181.12230	1.8
182.10892	5.3
183.11694	13.9
184.12379	1.6
185.09621	2.5
185.13255	7.9
187.11211	4.2
187.14856	6.7
189.12738	9.4
189.16388	3.9
193.10167	3.6
195.11656	5.7
196.12421	2.0
197.13239	15.2
199.11205	2.2
199.14818	3.4
201.12811	5.1
201.16435	2.7
203.14326	6.9
203.18088	1.6
207.11655	3.6
207.13835	7.6
208.12527	2.6
209.13295	7.1
209.15280	3.0
211.11189	2.3
211.14836	5.1
212.15625	2.9
213.12753	4.4
213.16388	5.9
215.14351	3.0
217.12302	1.6
221.13420	2.2
221.15381	8.4
222.13992	1.8
223.14618	2.2
225.12744	2.7
225.16434	2.2
227.14345	6.3
227.17969	2.2
229.15881	2.8
231.13649	1.6
233.15378	2.7
235.14699	1.8
237.12675	3.2
237.16383	3.8
239.14243	1.6
239.17911	2.4
241.15877	1.5
251.14340	1.4
253.19531	1.7
255.17473	7.3
263.23795	2.0
265.19565	2.1
267.17560	1.4
271.17212	1.6
285.18472	1.6
286.19275	6.6
299.20200	1.7
312.20660	2.2
337.27234	8.6
338.27521	2.5
343.22931	1.7
393.27689	1.6
417.27921	5.7
417.32852	3.2
435.28824	28.7
435.33072	14.0
436.29083	4.4
436.33984	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.9
55.05510	11.6
57.07067	9.1
67.05505	19.6
69.03451	6.3
69.07070	11.9
69.61551	12.9
71.04995	6.8
74.32845	2.3
79.05501	16.9
81.07061	27.3
83.04990	4.5
83.08627	3.3
85.06561	12.9
91.05486	28.0
93.07054	32.3
95.04957	7.6
95.08604	23.9
97.06540	7.1
98.22690	3.6
105.07040	48.7
107.08613	31.9
109.06526	100.0
109.10174	16.7
111.04420	2.8
111.08098	7.1
113.09589	3.2
115.05505	4.6
117.07024	12.5
119.08578	42.7
121.06529	3.5
121.10154	20.7
123.08093	11.6
123.11684	6.2
128.06227	6.8
129.07021	12.2
131.08588	24.3
133.10130	24.9
135.08067	18.7
135.11700	10.6
137.09654	9.7
137.13287	3.2
141.06999	7.9
142.07787	8.9
143.08586	22.1
144.09338	3.0
145.10130	29.5
147.08070	10.8
147.11656	14.2
149.09639	12.4
149.13264	4.3
151.07539	3.5
153.07045	4.8
154.07809	3.5
155.08572	9.1
156.09329	8.6
157.10150	35.5
158.10680	3.1
159.08101	7.8
159.11685	23.6
160.11948	2.7
161.09624	9.5
161.13303	7.2
163.11205	4.7
165.07004	4.8
167.08580	5.3
168.09293	7.9
169.10143	18.1
170.10861	4.6
171.08054	3.3
171.11711	20.4
173.09642	6.8
173.13304	12.7
175.11240	6.5
175.14807	5.6
177.12653	2.8
179.08607	5.7
179.10658	3.6
180.09250	4.7
181.10138	10.9
182.10818	4.1
183.11703	18.1
184.12448	3.0
185.13223	13.4
187.11176	6.9
187.14986	3.5
189.12791	8.4
189.16490	4.1
191.06938	3.2
191.14348	2.6
192.09404	2.9
193.10158	7.3
194.10878	6.3
195.11751	16.9
197.09598	3.9
197.13318	17.0
199.11201	6.0
199.14871	7.4
201.12758	10.2
201.16452	3.6
203.14340	6.7
205.10023	3.2
206.10866	4.2
207.11758	7.5
207.13757	3.4
208.12404	5.5
209.13271	17.2
211.11157	4.1
211.14827	8.3
213.12766	11.3
213.16403	2.8
215.14343	9.9
217.15961	3.1
220.12369	3.5
221.13313	6.5
221.15428	7.2
223.14873	5.9
225.12758	8.2
225.16389	5.3
227.14380	5.3
229.10030	3.3
229.16206	2.6
231.11725	5.7
233.13243	4.1
233.15338	3.5
235.14777	6.2
237.12750	3.1
237.16460	5.4
239.14410	5.3
239.17894	6.0
241.15921	2.8
244.12639	3.6
247.14845	5.1
248.15675	3.1
261.16422	3.3
263.42023	2.7
267.17529	3.1
273.06561	2.9
275.17984	4.4
276.18359	3.1
277.15967	3.8
281.19006	5.0
283.20663	2.8
291.17670	2.9
295.20520	3.7
335.19980	5.5
359.23645	5.1
361.21481	3.8
375.26794	5.2
386.11584	2.7
399.26709	7.4
417.27649	14.8
435.28705	26.1
435.38818	4.9
436.28989	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	435.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30055	0.7
53.03927	2.2
55.01868	1.0
55.05507	5.9
57.07058	1.6
59.07934	0.6
65.03933	2.0
67.05186	0.8
67.05507	10.0
69.03448	3.3
69.07067	7.7
71.04980	1.0
77.03976	0.6
79.05495	9.7
81.03414	1.9
81.07056	16.4
83.01303	0.6
83.04973	2.2
83.08620	1.7
85.02902	2.2
85.06544	1.5
89.51304	0.7
91.05479	19.0
93.03398	1.2
93.06470	1.0
93.07045	17.5
95.04952	2.7
95.08603	26.6
96.08943	0.8
97.02870	0.9
97.06538	1.8
97.10151	1.0
103.05446	2.3
105.07030	27.9
106.04122	1.0
106.07373	0.9
107.04958	1.9
107.08597	19.5
109.02853	1.2
109.06530	3.2
109.10154	9.3
111.04425	1.1
111.08113	1.1
115.05437	2.9
116.06224	1.7
117.07023	12.0
119.04926	1.2
119.08576	32.0
120.08920	1.1
121.06474	5.6
121.10139	9.5
123.04440	0.9
123.08061	1.6
123.11694	2.2
125.05953	1.4
127.03914	5.6
128.06215	5.0
129.07014	13.3
130.07742	2.8
131.04967	0.6
131.08566	36.7
132.08890	1.6
133.06491	2.5
133.09213	1.1
133.10133	17.4
134.10477	0.7
135.04387	1.2
135.08041	4.2
135.11708	5.5
137.05965	2.2
137.09608	1.8
137.13229	1.3
139.03844	0.7
139.07559	0.9
141.06969	4.8
142.07808	5.6
143.07455	1.4
143.08571	24.4
144.09253	2.5
145.06473	2.5
145.10121	66.8
146.10440	2.9
147.08035	4.7
147.11690	9.6
149.05968	2.0
149.09572	2.4
149.13263	5.3
151.07495	1.7
153.05472	1.0
153.06897	1.2
154.07744	2.0
155.08551	11.3
156.09369	5.2
157.10123	25.4
158.10956	4.2
159.08064	3.4
159.11688	20.7
160.12012	1.8
161.05998	1.1
161.09622	4.7
161.13264	7.2
163.07538	2.1
163.11172	1.7
163.14848	5.0
165.06996	1.8
165.09091	0.7
166.07767	0.8
167.07005	2.0
167.08542	3.8
168.09340	2.9
169.10123	11.8
170.10927	6.9
171.06583	1.0
171.08031	1.4
171.11687	15.9
172.12453	3.3
173.09598	4.1
173.13266	14.0
175.07542	1.7
175.11189	3.1
175.14851	6.8
177.05505	1.7
177.09151	1.3
177.12718	1.9
177.16376	1.6
179.07065	1.2
179.08527	2.8
179.14423	0.8
180.09265	1.8
181.04924	1.9
181.08665	1.5
181.10106	6.4
182.10866	2.7
183.08066	0.7
183.10155	1.2
183.11694	15.9
184.12292	1.7
185.09587	2.9
185.13258	22.2
186.13835	0.7
187.07399	1.2
187.11340	3.8
187.14816	100.0
188.15137	6.6
189.09076	0.8
189.12712	4.4
189.16409	3.0
191.08583	0.7
191.10696	1.2
191.14331	2.4
192.09277	1.2
193.10089	3.0
193.12173	1.0
194.10898	1.3
195.11658	7.0
196.12375	1.9
197.09584	1.2
197.13254	13.1
198.13860	1.5
199.11237	2.8
199.14818	22.6
200.15182	1.1
201.12813	4.1
201.16397	15.5
202.16768	1.1
202.51129	0.7
203.10692	0.9
203.14301	15.4
204.14522	0.8
205.12117	1.1
205.15897	1.8
206.10899	0.9
207.11722	3.2
207.13408	0.7
208.12355	1.2
209.13261	5.1
210.13895	1.4
211.11227	2.0
211.14798	7.0
212.15433	0.7
213.12744	2.3
213.16365	12.8
215.14304	4.2
215.17931	1.8
217.10274	0.8
217.12231	3.5
217.15839	3.7
219.11790	1.4
219.13795	2.2
221.13344	3.5
223.14828	4.6
224.15419	0.8
225.12730	2.3
225.16362	8.7
227.14333	2.8
227.17920	5.4
229.12219	1.4
229.15855	2.5
229.19434	0.8
231.11613	1.0
231.13766	1.9
233.13139	2.1
235.14793	3.0
237.12680	0.7
237.16368	6.0
238.16878	1.0
239.17946	9.8
241.15881	2.7
241.19510	3.6
243.13823	5.3
243.17589	0.9
245.13214	1.0
245.15347	2.7
246.13832	1.2
247.14891	1.6
249.16522	3.3
250.17206	0.8
251.17914	5.0
253.19560	4.0
254.20197	2.3
255.17493	1.3
255.20981	1.0
257.18970	0.9
261.14709	2.0
261.16653	0.8
263.17932	2.2
265.16226	0.7
265.19467	3.0
267.17484	1.4
267.21069	2.5
275.17841	2.0
277.19531	3.3
279.17889	0.8
279.21115	4.2
280.21829	1.4
281.18835	0.8
281.22867	1.0
283.20584	0.8
289.19354	0.9
291.20929	0.9
293.19064	1.6
295.20612	1.8
297.18460	0.9
301.19345	1.8
303.21048	1.4
305.19165	0.8
305.22549	1.5
307.24216	2.0
309.25571	0.9
315.21112	1.4
317.22577	1.6
321.18558	1.1
329.22559	1.1
331.24075	1.4
333.21979	1.5
339.19681	1.5
341.21347	0.8
343.20483	1.1
343.24246	0.8
345.25674	1.6
347.19922	1.2
347.23795	1.3
361.21570	1.7
361.28851	1.1
365.21149	0.7
371.27411	5.6
373.28912	1.5
379.22540	1.0
381.25735	0.9
389.28363	10.2
390.29071	1.4
391.30096	3.3
399.26767	3.4
405.27814	1.8
407.29333	2.4
417.15543	1.0
417.27859	20.4
417.33456	1.1
418.28128	2.9
435.28906	87.6
436.29169	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	435.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14804	2.8
53.03940	3.4
54.95987	3.0
55.01865	6.2
55.05513	14.5
57.07077	8.4
59.04996	4.8
67.05511	27.2
68.99783	8.1
69.03432	6.5
69.07069	13.7
71.04993	8.6
78.32645	2.7
79.05499	25.4
81.03406	3.9
81.07064	36.4
83.04988	7.0
83.08621	4.2
85.02897	3.6
85.06548	18.6
88.07626	3.6
91.05489	36.4
93.07047	33.8
95.04967	10.2
95.08621	34.4
97.06526	9.6
97.10154	3.7
103.05485	3.2
105.07032	48.1
107.08611	33.0
108.08948	3.5
109.06525	100.0
109.10146	20.3
111.04475	15.8
111.08083	9.7
115.05446	5.5
117.07060	16.6
119.08585	42.1
120.08032	2.9
121.06523	5.8
121.10139	20.3
123.08091	17.7
123.11717	9.9
125.09621	3.4
128.06206	7.3
129.07016	15.5
131.08560	19.7
133.10127	26.4
135.08055	15.6
135.11710	8.1
137.09627	9.1
139.11182	3.7
141.06969	5.4
141.09106	4.9
142.07799	7.8
143.08604	23.9
144.09341	3.1
145.10133	29.8
147.08104	7.8
147.11703	10.8
149.09616	11.5
149.13225	5.1
151.07474	3.7
153.06967	6.3
154.07736	3.8
155.08554	10.0
156.09326	9.0
157.06606	3.5
157.10130	25.9
158.10817	3.6
159.08046	9.2
159.11703	21.4
161.09674	7.9
161.13271	5.5
163.03879	16.2
163.11215	5.1
165.06979	6.3
167.08578	9.4
168.09383	5.3
169.10164	25.5
170.10878	3.6
171.08078	3.7
171.11665	21.3
172.12544	3.5
173.09653	8.5
173.13286	11.5
175.11230	7.4
175.14897	4.0
179.08568	12.1
179.10573	2.9
180.09332	4.7
181.10117	8.6
182.10936	7.5
183.11734	18.4
184.12408	5.2
185.09654	5.9
185.13249	12.8
187.11198	6.7
187.14859	6.8
189.12743	7.5
189.16431	4.2
191.08676	4.0
191.14320	3.2
192.09386	5.0
193.10207	10.4
194.10939	6.6
195.08113	5.2
195.11702	14.2
196.12367	3.3
197.13287	15.1
198.10440	3.8
199.11171	7.7
199.14784	5.7
201.12732	10.2
203.14326	7.5
205.10182	6.7
206.10956	3.6
207.06427	14.5
207.11731	10.0
207.13687	3.2
208.12553	3.6
209.09715	4.5
209.13268	10.4
211.11183	6.1
211.14684	6.8
213.12790	9.6
215.14359	9.7
217.12143	4.0
219.11729	6.8
221.13338	6.8
221.15280	5.1
223.11090	3.7
223.14850	8.5
225.12802	4.7
225.16388	7.0
227.14348	6.7
229.15909	6.4
231.11737	6.7
233.13284	5.8
233.15459	3.4
235.14803	6.4
239.14418	3.5
245.13277	3.1
249.16478	3.8
253.15984	4.1
255.17418	3.3
256.26419	7.9
263.18011	4.4
299.19846	3.3
333.22363	3.4
359.23978	5.0
377.24796	4.2
417.27631	11.2
417.32687	4.9
435.24329	8.4
435.29178	28.9
435.33514	4.2
436.30402	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	436.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.05508	0.2
57.39415	0.2
66.85221	0.2
67.01869	0.9
67.05511	1.2
68.99786	0.7
69.07053	0.2
70.06585	0.3
70.89237	0.2
70.89557	0.2
75.03352	0.1
79.05476	0.4
81.07034	0.6
83.49790	0.2
89.03896	0.3
91.05473	0.4
93.07021	0.7
94.06548	0.7
95.08592	0.5
105.07016	0.5
107.08571	0.5
109.06529	0.2
109.10141	0.4
111.00813	0.2
119.08549	0.4
121.10089	0.3
122.06062	0.3
123.08030	0.2
123.11692	0.3
123.44353	0.2
124.01639	0.2
131.08603	0.3
133.10147	0.2
135.04431	2.4
137.02348	0.7
145.10124	0.3
150.05507	1.3
152.07060	0.8
153.01836	8.5
154.02226	0.2
159.11638	0.3
161.02330	0.7
171.02945	0.9
175.14676	0.2
179.03398	0.4
184.05055	0.3
185.13264	0.2
189.16423	0.2
201.05496	0.4
203.03412	0.5
213.05492	0.4
229.04962	3.9
230.05640	0.5
231.06538	0.2
241.04942	1.0
242.05725	0.4
247.03537	0.2
257.04489	3.5
258.05249	42.9
258.48312	0.2
259.05630	2.5
269.04462	0.8
286.04727	75.4
287.05487	100.0
288.05853	5.1
408.10712	0.2
436.10303	21.6
437.10718	1.8
437.34158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05505	1.9
56.05021	1.3
60.04519	4.1
60.51553	1.2
60.82011	1.3
65.03946	10.9
68.99786	4.7
69.03417	6.4
69.22359	3.0
69.22759	7.5
70.06587	5.9
72.08140	3.3
73.02917	1.8
73.17288	1.3
79.05498	1.5
81.03412	3.8
83.04976	5.5
84.04509	1.4
84.08150	4.5
84.34546	1.4
85.02895	16.9
86.09708	5.3
87.00830	6.1
91.05451	1.7
93.03416	3.9
97.02900	7.4
98.22552	2.5
99.04468	3.2
105.01873	5.1
107.04964	13.1
108.92284	1.2
109.02871	7.3
110.07164	2.3
111.04446	39.1
120.08131	2.3
121.02917	1.4
121.03975	3.0
123.04462	2.1
127.03904	11.1
129.01787	1.3
129.10265	3.1
132.06529	1.9
135.04404	4.5
139.03902	100.0
140.04269	3.8
145.02858	1.7
145.04948	7.4
147.02847	1.4
147.04398	3.9
149.06039	1.4
159.02913	2.2
161.06044	2.1
163.03896	13.3
165.05521	1.6
171.06526	96.6
172.06775	2.5
181.04898	2.1
195.06616	9.0
213.07657	4.2
221.02948	7.0
237.07613	4.2
261.07675	2.4
271.04358	2.0
279.08655	4.5
316.50024	1.4
319.35623	1.8
370.26205	1.6
377.07175	5.1
436.18616	46.5
437.19080	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	436.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.0
55.01872	9.0
55.17878	2.0
57.03439	5.6
61.02934	9.9
62.89823	1.9
65.03938	5.4
68.99778	5.6
69.03428	34.4
69.25323	10.8
71.04989	5.4
73.02905	12.5
81.03418	34.7
85.02905	100.0
87.00827	41.5
91.03935	2.0
93.03421	2.6
97.02895	32.5
99.04463	13.0
103.03932	4.6
105.01862	27.8
107.04931	10.7
108.04478	10.3
109.02874	38.9
111.04449	17.4
115.03930	2.3
117.01833	5.3
118.21125	1.7
121.02817	1.9
124.47395	1.7
126.05521	7.5
127.03915	60.6
128.04269	2.1
129.01825	6.2
135.04431	3.9
139.03900	45.7
145.04959	33.7
147.02867	5.9
153.05428	3.4
159.02899	25.8
163.03900	17.7
171.02809	2.5
171.06517	64.8
171.07988	3.5
181.04933	9.8
189.03969	4.0
195.06548	34.2
209.08015	2.6
213.04286	2.2
213.07576	20.5
230.06500	2.6
231.05040	7.0
233.08096	2.3
237.07623	13.4
248.07678	3.5
261.07635	8.5
279.08618	18.4
284.77161	2.2
303.63821	1.9
310.20877	2.0
346.18161	2.0
417.92538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.4
55.05499	0.4
57.03431	1.6
60.04526	0.5
61.02927	1.5
65.03937	1.0
68.99782	0.8
69.03434	3.6
69.63464	0.4
69.63754	1.7
70.06596	1.8
71.01337	0.4
72.08147	0.6
73.02922	9.7
74.06124	0.4
79.05494	1.0
81.03419	1.0
83.04992	0.5
84.08132	1.0
85.02908	7.6
86.09719	0.8
87.00832	0.6
87.52221	0.3
95.04974	1.3
97.02904	4.6
99.04501	0.5
105.01874	0.7
105.04547	0.5
107.04958	100.0
108.05277	2.3
109.02885	1.2
111.04449	4.7
115.03919	2.6
119.31209	0.3
120.08116	0.7
121.04007	0.7
121.06532	0.5
127.03941	2.5
133.04979	2.8
135.04486	0.6
139.03902	10.4
145.02838	0.7
145.04961	4.0
150.07623	0.7
161.06006	0.6
162.90227	0.4
163.03935	2.4
163.06062	1.7
167.07039	0.5
171.06525	10.8
195.06602	0.6
213.07591	0.6
219.51804	0.4
221.03072	0.8
223.05998	0.7
241.07152	1.0
259.08173	1.5
271.04529	0.5
277.09161	0.5
279.09061	0.4
295.10321	1.1
344.20959	0.4
377.07309	0.9
394.09378	0.4
413.66891	0.4
422.55695	0.5
436.18591	4.6
437.18723	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33121	0.9
50.92212	1.1
53.03942	1.6
55.05509	2.0
56.93486	1.0
58.96755	1.0
59.05009	1.5
64.33601	1.0
65.03930	1.2
66.93074	0.9
67.05500	2.2
69.03423	3.5
69.07091	2.6
70.50513	2.5
71.04996	14.6
73.06557	4.2
79.05494	6.2
81.03427	2.2
81.07064	16.6
82.07364	1.3
85.02914	5.6
87.00797	2.8
91.05480	2.2
93.07053	15.7
95.04974	2.0
95.08604	4.4
97.02900	2.8
97.06566	2.4
105.01873	3.1
105.07034	1.7
107.04940	1.5
107.08591	10.3
109.02912	1.8
109.10174	2.8
111.08044	1.3
119.08581	1.6
120.83868	1.1
121.10130	2.1
127.03932	4.4
135.11697	18.3
145.05083	1.5
145.06442	1.5
145.10138	1.4
153.12753	100.0
154.13045	3.5
161.13428	1.0
167.07042	3.3
168.07423	2.1
181.04961	6.1
182.05313	2.5
233.08192	3.4
234.08438	5.0
303.13098	1.3
368.12146	1.2
400.71024	1.1
418.15762	5.5
436.14328	1.5
437.14224	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.7
55.01867	8.8
55.05510	6.7
55.44656	3.9
57.03431	21.7
61.02934	16.1
67.05508	5.1
69.03431	66.9
70.61603	9.7
71.04963	4.1
73.02506	4.6
73.02917	78.8
73.73230	3.2
79.05485	13.5
81.03419	22.7
81.07057	8.4
85.02904	100.0
87.00812	15.0
87.04453	4.4
91.05481	19.5
93.07042	55.9
94.07384	3.3
95.04981	4.1
95.08618	7.5
97.02890	61.9
97.06516	10.5
99.04449	8.3
103.03928	7.1
104.68913	3.2
105.01875	13.2
105.07018	8.9
107.08600	61.3
109.02875	19.0
115.03927	16.8
119.06062	3.9
121.06521	4.3
123.08080	8.9
125.09618	47.7
127.03918	48.4
133.04947	21.3
135.11702	41.3
145.04962	37.2
153.12820	4.4
159.02913	9.0
163.05984	5.1
167.10674	6.9
213.53133	3.6
225.18051	3.4
231.05115	8.2
437.17761	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05487	3.0
55.09673	2.3
56.05037	5.6
56.96538	3.1
57.03427	4.4
57.52770	2.1
69.03438	2.4
70.06587	8.7
72.08150	9.1
72.47488	2.3
75.04482	2.2
85.02894	5.6
86.09707	6.5
97.02901	2.0
98.06051	5.9
99.06397	2.6
105.07043	22.5
115.08717	3.1
115.52316	2.2
120.08101	4.4
133.06488	48.9
137.05974	100.0
137.84988	2.1
138.06386	2.8
145.50168	2.2
165.09100	32.3
168.08066	4.4
168.49644	2.3
183.10185	23.0
190.05228	3.5
208.82347	2.3
221.11623	3.1
239.12651	3.7
257.13840	42.6
273.79794	2.3
274.14389	19.9
435.58026	2.4
436.16656	12.0
436.19751	7.3
436.27155	4.6
437.17792	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.00344	0.6
55.01868	1.9
55.05513	7.9
57.05828	0.9
65.03969	0.8
65.17045	0.7
65.71567	0.6
67.05502	1.4
69.03434	1.3
69.07087	0.8
70.02953	2.6
70.06600	2.4
71.04993	1.5
71.30592	1.0
72.08157	92.4
73.08494	0.7
79.05490	1.5
81.07085	0.9
82.06575	5.1
85.02897	2.1
85.04032	1.6
87.05588	8.3
88.03997	7.1
91.05471	1.5
93.07040	2.0
94.06551	1.6
95.04962	1.5
96.08137	5.2
97.02877	0.9
98.02409	7.0
98.09711	0.9
99.09200	5.3
105.07021	1.9
107.04954	2.0
107.08598	2.3
110.02414	1.4
115.05092	0.7
119.08575	1.1
120.08105	20.8
120.08785	0.8
121.06507	1.0
123.04473	0.9
124.07610	7.8
127.08674	29.3
129.10208	0.8
131.04987	1.0
131.08549	1.2
132.08049	1.2
133.06467	0.8
135.11674	1.6
137.06042	0.8
139.08681	3.0
141.09125	1.4
141.10225	28.3
145.10115	1.0
149.05975	1.3
152.07077	3.0
155.08156	1.6
157.09715	1.9
159.08055	1.0
159.11758	0.8
161.05986	0.9
163.11197	0.9
166.08632	9.7
166.09875	0.9
167.07018	3.4
167.08205	2.1
169.08273	0.9
169.09731	17.5
170.09846	1.0
175.07549	0.8
177.05434	2.2
177.10210	1.9
181.04944	7.8
186.12375	100.0
187.10886	1.7
187.12677	2.2
193.08769	0.8
197.09229	7.0
203.08115	0.7
209.08160	2.3
212.10332	2.8
214.11862	39.1
215.12218	1.3
223.10774	5.3
225.13712	0.7
227.36766	0.8
233.08214	0.8
254.11368	1.8
267.11252	0.8
271.14008	4.2
286.15427	1.1
322.17548	1.8
332.15994	8.4
418.20822	1.0
419.18851	1.3
436.16464	4.5
436.27435	0.9
437.18405	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	436.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.00344	0.6
55.01868	1.9
55.05513	7.9
57.05828	0.9
65.03969	0.8
65.17045	0.7
65.71567	0.6
67.05502	1.4
69.03434	1.3
69.07087	0.8
70.02953	2.6
70.06600	2.4
71.04993	1.5
71.30592	1.0
72.08157	92.4
73.08494	0.7
79.05490	1.5
81.07085	0.9
82.06575	5.1
85.02897	2.1
85.04032	1.6
87.05588	8.3
88.03997	7.1
91.05471	1.5
93.07040	2.0
94.06551	1.6
95.04962	1.5
96.08137	5.2
97.02877	0.9
98.02409	7.0
98.09711	0.9
99.09200	5.3
105.07021	1.9
107.04954	2.0
107.08598	2.3
110.02414	1.4
115.05092	0.7
119.08575	1.1
120.08105	20.8
120.08785	0.8
121.06507	1.0
123.04473	0.9
124.07610	7.8
127.08674	29.3
129.10208	0.8
131.04987	1.0
131.08549	1.2
132.08049	1.2
133.06467	0.8
135.11674	1.6
137.06042	0.8
139.08681	3.0
141.09125	1.4
141.10225	28.3
145.10115	1.0
149.05975	1.3
152.07077	3.0
155.08156	1.6
157.09715	1.9
159.08055	1.0
159.11758	0.8
161.05986	0.9
163.11197	0.9
166.08632	9.7
166.09875	0.9
167.07018	3.4
167.08205	2.1
169.08273	0.9
169.09731	17.5
170.09846	1.0
175.07549	0.8
177.05434	2.2
177.10210	1.9
181.04944	7.8
186.12375	100.0
187.10886	1.7
187.12677	2.2
193.08769	0.8
197.09229	7.0
203.08115	0.7
209.08160	2.3
212.10332	2.8
214.11862	39.1
215.12218	1.3
223.10774	5.3
225.13712	0.7
227.36766	0.8
233.08214	0.8
254.11368	1.8
267.11252	0.8
271.14008	4.2
286.15427	1.1
322.17548	1.8
332.15994	8.4
418.20822	1.0
419.18851	1.3
436.16464	4.5
436.27435	0.9
437.18405	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	437.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46254	3.4
55.05532	3.6
55.38195	4.3
57.03443	6.5
66.20740	3.7
67.05516	9.8
69.03426	7.8
69.07073	10.8
71.81567	4.3
75.98666	3.9
79.05492	10.3
79.45937	3.4
81.03414	4.9
81.07058	22.3
85.02898	8.8
91.05495	20.7
93.07043	18.3
95.04953	4.1
95.08604	32.7
95.50977	3.7
97.02897	10.7
98.23463	6.5
105.07014	26.1
107.08602	18.7
109.10178	18.8
117.84871	4.0
119.08585	37.6
121.06491	11.2
121.10157	14.8
127.03886	4.7
131.08565	24.7
133.06551	4.2
133.10127	22.1
135.11653	5.1
137.06004	5.9
143.08571	9.8
145.04948	4.6
145.10104	29.2
147.08060	9.6
147.11679	10.5
157.10133	8.0
159.11722	15.1
161.09641	9.2
161.13275	10.3
171.11703	9.4
173.09669	4.3
173.13303	17.4
175.14888	10.1
181.04984	5.6
185.13292	10.9
187.14874	18.5
189.12767	9.0
189.16435	10.3
191.17979	6.3
199.14848	12.9
201.16420	17.3
202.01270	4.1
203.14371	9.8
203.17949	8.8
211.14972	3.7
213.16460	6.0
215.14233	8.3
237.02917	4.6
251.66985	5.1
301.74121	4.5
303.74792	4.1
391.30081	16.6
419.29211	4.2
437.15878	100.0
437.21689	17.2
437.29843	32.9
438.16284	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	437.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.6
63.60822	0.3
69.46609	2.2
70.06598	0.4
84.96029	0.4
85.02908	0.6
97.02893	0.5
98.23321	0.6
98.97594	4.1
103.46455	0.3
110.97575	0.8
116.98657	1.7
119.01881	0.4
124.99214	0.4
128.98578	0.5
134.41595	0.4
134.99646	0.4
145.01793	0.6
146.99715	0.5
147.04416	0.9
158.99698	1.3
161.02979	0.3
163.03915	1.5
175.02852	0.4
177.00763	1.0
215.06061	0.4
219.01826	1.6
221.03123	0.7
232.96550	0.6
233.06995	0.4
237.02760	1.6
245.08047	0.6
263.28079	0.3
274.97534	0.6
275.11038	4.6
293.10583	0.5
303.07401	0.7
316.99576	0.4
332.37054	0.4
377.06769	0.4
377.11258	0.7
437.16324	100.0
438.16675	6.9
438.22443	0.4
463.33960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.3
61.17437	0.3
69.03426	0.6
70.06596	0.8
71.04994	0.5
71.30451	0.4
73.02911	0.3
73.92610	0.3
74.28782	0.2
79.05508	0.5
81.07067	0.5
85.02895	0.6
86.09708	0.6
91.05487	0.6
93.04510	0.3
95.04982	0.4
107.08574	0.4
115.05452	0.3
120.08123	0.5
121.19137	0.3
121.42576	0.3
124.73796	0.3
136.07596	0.9
137.05916	0.5
138.03864	0.3
145.10204	0.4
150.11919	0.3
152.07054	0.4
161.06058	0.3
164.07123	0.6
193.65631	0.3
201.03729	1.5
201.23846	0.4
259.13123	4.0
275.12686	0.6
330.82581	0.3
390.19434	0.4
393.25055	0.4
437.17859	100.0
438.18173	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	437.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05517	0.7
57.03428	1.0
61.02926	1.0
65.03937	0.4
67.05504	0.9
67.94988	0.3
69.03434	3.8
69.07069	3.3
70.03770	0.9
70.06596	0.6
71.01349	0.3
71.04991	0.3
71.31760	0.4
71.50806	0.3
73.02919	4.7
73.06552	0.7
74.03265	0.8
79.05494	1.1
81.03418	1.2
81.07059	1.1
83.04984	0.4
85.02906	4.9
86.03246	1.0
86.09701	0.9
87.00853	0.4
91.05480	4.7
92.05821	0.6
93.07050	2.5
94.07363	0.8
95.05022	0.7
95.08610	0.8
97.02899	3.6
97.06544	0.9
98.03243	0.8
99.04430	0.4
103.05489	0.4
104.13751	0.3
105.01871	0.4
105.07027	1.8
107.04972	3.3
107.08587	1.9
108.08916	0.5
109.02887	0.9
109.06482	0.4
109.10159	0.4
115.03929	1.2
116.04247	0.6
116.87096	0.3
117.07049	0.6
119.04942	2.8
119.08582	1.3
120.05316	0.3
120.08102	0.9
121.06503	1.4
121.10173	0.8
123.08065	1.3
125.09624	3.1
126.09970	1.3
127.03926	1.9
128.04259	0.9
131.08585	1.1
133.04984	1.2
133.06483	0.6
133.10132	0.6
134.05310	0.5
135.08072	0.4
135.11708	0.7
136.12032	0.7
137.05965	1.0
142.07845	0.3
143.08524	0.4
143.72110	0.3
145.04953	1.3
145.10126	1.1
146.05235	0.7
147.04411	10.7
147.08052	0.8
147.11734	0.5
148.04765	0.6
149.06024	0.4
157.06453	0.3
159.02922	0.3
159.11722	0.9
161.05971	0.4
161.09589	0.3
163.06062	0.5
167.07085	1.0
167.10617	0.5
168.07356	0.7
173.13272	0.6
175.14838	0.4
177.05443	0.8
181.04906	0.8
187.14751	0.5
189.12775	0.4
199.14859	0.4
201.03749	1.1
201.76860	0.3
203.05289	2.5
213.16377	0.4
217.12273	1.6
217.15886	0.3
257.07312	0.3
257.11545	2.8
258.12280	2.3
259.13049	7.0
260.13495	0.6
275.12579	1.1
278.56961	0.3
342.39975	0.4
361.52606	0.3
419.16254	0.4
419.29242	0.6
437.17786	100.0
438.18115	8.3
440.34827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1785
Annotation	Icariol A2
Peak:m/z	Relative Intensity
52.67533	0.5
53.03938	0.9
55.05497	1.0
67.05486	1.0
69.03419	0.9
69.07072	3.3
71.04971	0.7
73.02890	0.8
73.06544	0.7
75.03329	0.5
79.05473	1.5
81.03412	0.7
81.07053	1.2
85.02884	1.6
91.05483	5.7
93.07036	1.2
93.39470	0.5
95.04952	0.6
95.08574	1.6
97.02872	1.2
97.06521	1.0
105.07017	2.5
105.82022	0.4
107.08557	1.2
109.10143	1.3
117.06966	0.6
119.04964	3.6
119.08540	1.4
121.06476	1.4
121.10096	1.1
127.03904	0.6
129.06987	0.6
131.08533	0.9
133.06482	0.7
133.10107	1.0
135.11633	0.6
138.06683	0.4
143.08580	0.6
145.02777	0.9
145.10071	1.3
147.04408	11.4
157.10057	0.8
159.11658	0.8
160.72842	0.5
167.07018	0.8
173.13226	1.0
177.05453	0.9
185.13217	0.7
187.07321	0.6
187.14761	0.7
189.16287	0.6
201.03661	1.3
201.16289	1.1
203.05309	2.9
217.12167	1.3
247.99109	0.5
257.11380	1.7
257.14963	0.9
258.12189	1.4
259.13074	14.2
260.13416	0.8
275.12360	0.8
280.69016	0.6
324.16049	0.5
405.78156	0.6
437.17462	100.0
437.29697	2.9
438.18018	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	437.2161
Annotation	Leopersin N
Peak:m/z	Relative Intensity
58.06608	0.3
67.05506	0.4
69.07066	0.5
69.24050	1.8
79.05521	0.3
81.07042	0.7
85.54139	0.3
91.05467	0.7
93.07066	0.4
95.08604	0.6
105.07018	0.6
107.08584	0.8
109.06715	0.3
109.10156	0.6
119.08576	0.6
131.08604	0.6
140.94284	0.3
143.08553	0.3
145.10124	0.5
159.11731	0.5
175.14883	0.3
185.13431	0.3
187.14873	0.4
201.16277	0.3
211.08478	2.4
213.16467	0.3
262.21478	0.3
323.14767	0.5
379.21228	0.9
380.15851	0.7
401.19498	5.2
402.19745	0.4
409.22110	1.3
419.20520	1.2
437.21609	100.0
438.21893	9.7
438.27921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.05514	9.6
63.84833	2.1
65.03947	2.2
67.05502	20.8
69.03437	2.6
69.07073	12.1
79.05492	11.1
79.89075	1.8
81.07051	27.5
83.04996	2.9
83.08619	2.7
91.05474	22.8
93.07053	21.3
95.04935	2.8
95.08609	100.0
97.06538	2.6
97.10147	3.2
105.07037	51.5
107.08593	30.2
108.08981	1.9
109.06535	2.9
109.10151	13.5
111.08046	2.2
115.05460	1.9
117.07035	8.4
119.07767	4.0
119.08580	57.6
121.06515	28.7
121.10140	14.7
123.08087	3.4
123.11677	4.1
128.06216	4.4
129.06996	8.7
130.07971	2.1
131.08562	45.0
133.06462	4.2
133.10130	32.6
135.08032	9.6
135.11691	7.2
137.09576	3.6
142.07794	3.2
143.08551	19.3
145.06444	2.8
145.10139	53.5
147.08060	32.0
147.11708	16.5
149.09532	2.2
149.13283	6.5
155.08551	4.4
156.09360	2.9
157.10120	24.3
159.08073	4.8
159.11687	21.5
160.08798	3.7
161.09628	45.3
161.13240	18.5
163.11263	2.6
163.14812	7.2
169.10094	5.7
171.11702	13.3
173.09615	6.1
173.13297	28.1
174.10399	3.4
175.11230	9.2
175.14847	27.6
177.12741	5.8
177.16412	8.7
179.14360	3.2
183.11658	8.5
185.09726	2.4
185.13264	19.7
187.11169	7.4
187.14827	44.7
188.15106	2.7
189.12749	45.8
189.16367	12.5
190.13142	2.0
191.14255	5.6
193.15918	3.4
197.13322	6.3
198.10548	2.3
199.14828	21.5
201.12798	4.0
201.16386	24.1
203.14325	39.6
203.17972	7.1
204.14658	2.7
205.15851	5.3
207.11787	2.2
211.14806	4.2
213.12781	3.4
213.16364	13.4
215.14308	34.7
215.17903	3.9
216.14801	2.8
217.15852	12.3
217.19499	2.3
219.17375	3.2
221.13321	2.4
221.15396	7.0
225.16289	2.9
227.14322	2.6
227.17957	5.4
229.15878	6.7
231.17409	4.3
233.15402	3.8
243.17387	2.4
245.18938	2.4
247.16968	6.7
253.19507	3.4
267.21103	2.8
285.22220	2.2
297.21957	3.4
373.28784	7.7
391.25311	3.5
391.30020	42.2
392.30188	5.2
401.28506	2.4
409.31216	2.6
419.29205	16.1
420.29761	2.3
437.30460	93.6
438.30991	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	437.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85789	1.5
53.03952	5.6
55.01873	8.9
55.05513	28.5
57.03437	9.0
57.07086	9.5
61.02925	5.5
65.03943	3.4
67.05510	44.5
69.03433	18.2
69.07071	43.1
71.01362	4.2
71.04997	5.3
71.08630	3.7
73.02923	7.5
79.05492	23.1
80.00539	1.6
81.03435	11.9
81.07059	85.9
82.07394	2.7
82.29747	1.8
83.04981	10.4
83.08623	22.4
85.02914	23.0
85.06540	12.4
85.10184	2.2
87.04477	2.4
91.05489	20.3
93.07046	44.9
95.04968	9.2
95.08611	100.0
96.08932	2.5
97.02900	12.1
97.06537	5.9
97.10175	11.6
99.04480	5.4
99.08112	4.8
103.03977	4.4
105.06382	2.0
105.07043	32.9
106.07367	2.5
107.04954	3.0
107.08595	47.2
109.06518	7.6
109.10158	61.1
110.10495	3.2
111.04475	8.0
111.08089	12.7
111.11713	9.6
113.02339	1.5
115.03924	5.4
117.07010	8.6
118.72738	1.7
119.04935	1.7
119.08589	29.4
119.09428	2.1
121.06492	7.5
121.10138	27.7
123.04443	2.9
123.08076	8.8
123.11707	37.5
124.08490	1.8
125.06018	2.3
125.09587	8.1
125.13283	2.2
127.03946	5.4
129.05507	6.5
129.07025	4.1
130.07732	2.4
131.08563	14.9
133.05003	4.1
133.06480	3.0
133.10136	20.2
135.07184	1.6
135.08017	8.0
135.11710	23.6
137.05994	3.5
137.09575	7.9
137.13258	18.2
139.03958	1.6
139.07562	3.3
139.11201	2.8
141.08989	2.0
143.08600	7.1
145.05002	2.6
145.06468	3.2
145.10110	19.7
147.08057	6.5
147.11723	18.2
149.09656	5.3
149.13261	21.3
151.07582	3.9
151.11156	3.0
151.14850	4.6
153.09117	4.4
153.12814	2.0
155.08557	2.0
157.10165	9.4
159.11691	15.7
161.09641	6.1
161.13278	12.0
163.11139	4.3
163.14838	12.4
165.09074	3.1
165.12813	3.2
165.16495	1.7
167.10667	3.6
169.10115	2.1
171.11694	6.7
173.13213	8.4
175.11174	4.9
175.14847	8.5
177.09134	2.2
177.16351	9.0
179.10681	4.6
179.14275	2.1
183.10190	2.0
183.11682	2.1
185.13286	6.0
187.11214	2.5
187.14842	10.8
189.12778	6.6
189.16383	6.1
191.10606	1.7
191.17963	6.4
199.14894	6.4
201.16428	6.1
203.14354	5.1
203.17924	6.3
205.15927	1.9
205.19528	2.9
207.13910	2.2
213.16435	3.0
215.14325	4.4
217.15829	2.1
217.19382	2.5
219.20978	3.1
227.12772	5.6
227.18013	2.1
229.15819	2.3
231.17450	2.2
233.15332	2.2
261.25824	2.7
273.25797	4.7
275.20074	2.5
287.27176	2.5
297.25854	2.7
303.26825	3.4
305.28506	1.8
315.26840	2.3
317.28336	4.2
329.28470	2.4
347.29611	3.2
359.29370	4.6
377.30582	3.9
383.29431	6.1
391.30029	3.3
401.30478	16.9
419.31506	21.8
420.31787	3.6
437.32422	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.05510	2.7
57.07075	1.4
67.05511	6.1
69.03436	0.6
69.07069	7.2
69.07599	0.9
69.08002	2.8
71.08620	0.6
76.07587	0.4
79.05497	3.5
81.07063	10.4
83.05006	0.5
83.08617	2.3
84.97797	0.4
85.06572	0.8
89.06033	1.4
91.05488	2.7
93.07051	6.2
94.07336	0.5
95.04960	1.1
95.08614	18.4
97.06542	1.4
97.10159	1.0
97.75748	0.5
98.70718	0.5
105.07037	7.1
107.08605	11.1
109.06515	2.2
109.10162	10.8
111.08082	1.0
111.11730	1.1
117.07051	0.7
119.08591	9.2
120.08909	0.5
121.06508	0.8
121.10151	9.0
123.08081	1.5
123.11708	6.9
125.13277	0.6
129.07022	1.0
131.08563	4.3
133.08626	0.7
133.10143	9.3
135.08058	1.8
135.11713	4.8
137.09647	1.3
137.13245	2.9
141.06960	0.6
143.08566	2.7
144.09305	0.7
145.10118	6.3
147.08099	0.8
147.11697	4.6
149.09662	1.8
149.13264	2.6
151.23456	0.4
153.09232	0.4
155.08522	0.8
156.09377	1.3
157.10133	4.0
158.10840	1.3
159.08095	0.6
159.11697	7.0
161.09604	1.5
161.13254	5.2
163.11220	1.3
163.14798	1.7
169.10133	1.5
170.10963	1.2
171.11700	4.7
172.12392	0.5
173.09697	1.3
173.13297	7.0
173.14667	0.8
175.11203	1.3
175.14824	3.1
177.12802	0.7
177.16467	0.8
183.11736	2.8
184.12314	0.6
185.13275	4.5
187.11206	0.8
187.14847	4.8
189.12775	2.0
189.16415	1.6
191.14339	0.6
191.17950	1.9
191.88933	0.4
193.12204	1.0
195.11734	1.2
197.13260	1.5
199.11351	0.6
199.14859	3.3
201.12798	1.1
201.16441	0.8
203.14336	3.7
203.17996	1.2
205.15941	1.1
205.19440	0.9
209.13254	0.9
211.14822	1.4
213.12813	3.4
213.16386	1.3
215.14365	2.2
215.17957	1.3
217.15970	1.0
217.19443	1.0
219.13760	0.4
219.17409	0.7
221.13399	0.6
221.15379	0.8
225.12740	0.7
225.16440	1.2
227.14355	1.1
227.18068	1.0
229.15829	0.6
229.19672	0.9
230.34737	0.4
231.13763	2.6
231.17348	0.6
233.15381	1.8
239.14838	0.9
239.17993	2.0
241.15916	1.0
241.19615	0.6
243.21059	1.1
253.19518	1.4
255.21100	1.5
263.18018	0.9
267.64951	0.5
269.22626	1.4
273.18488	0.7
281.18985	1.5
285.18454	0.6
299.20111	2.5
299.23282	0.6
305.12939	0.5
311.23730	0.7
313.21713	0.6
323.27344	1.3
377.32129	0.8
391.33542	0.9
401.31992	1.1
409.34909	0.9
419.33026	7.3
420.33304	0.7
437.34155	100.0
438.34525	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	437.3412
Annotation	Alertenone
Peak:m/z	Relative Intensity
51.75430	3.3
54.33885	3.6
55.05516	10.4
59.04994	6.5
67.05511	23.1
69.07059	17.2
69.22414	9.4
69.22810	21.7
79.05497	19.6
81.07061	46.4
83.08607	9.6
91.05486	25.1
91.24565	4.7
93.07048	46.3
95.08614	63.8
97.06548	12.4
102.27618	3.5
105.07027	63.3
107.08591	62.6
109.06511	13.8
109.10149	38.0
111.08090	17.2
117.07027	5.8
119.08582	58.3
121.06554	6.3
121.10147	52.9
123.08109	5.7
123.11713	16.7
129.07039	5.9
131.08540	29.7
133.10135	48.7
135.08060	7.5
135.11702	29.5
137.09595	4.6
137.13254	5.7
141.06999	3.6
143.08545	14.5
145.10114	45.1
147.11705	44.9
149.13269	15.5
157.10165	20.8
159.11700	46.1
161.13316	22.6
163.03856	5.7
163.11183	6.4
163.14853	8.1
169.10152	7.2
171.11728	15.6
173.13280	27.9
175.11198	4.6
175.14871	15.7
177.12698	8.8
177.16429	9.5
183.11691	4.7
185.13234	11.6
187.14841	22.2
189.12825	6.7
189.16386	15.0
189.55933	5.3
191.14346	11.3
194.33531	4.7
195.11760	4.9
197.13306	9.9
199.14886	15.2
201.16408	32.3
203.18004	12.1
205.15833	8.2
211.14819	8.7
213.16353	19.9
215.17934	22.7
217.15874	6.1
217.19597	5.5
219.17380	9.2
225.16129	6.0
227.18068	9.4
229.15802	4.1
229.19516	9.9
231.17419	8.5
253.19589	6.6
255.21167	5.4
269.19135	5.2
401.32205	9.1
407.32977	5.6
419.33130	46.8
420.32928	5.0
437.19708	5.9
437.34509	100.0
438.34589	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	437.3416
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
52.97117	1.1
53.03957	1.6
54.65203	1.1
55.01867	1.1
55.05270	1.1
55.05520	12.2
56.62058	1.2
57.07065	5.2
59.04997	1.6
65.03951	1.2
67.05510	15.8
69.03437	3.3
69.07078	20.5
69.25769	8.0
71.04991	2.8
77.03947	1.2
78.86623	1.0
79.05495	15.4
81.07062	32.0
83.04980	4.9
83.08639	8.4
85.06555	1.6
91.05486	15.0
93.07048	29.6
94.07347	2.4
95.04973	4.6
95.08613	42.8
97.06536	4.2
97.10184	4.4
99.08090	2.5
105.07037	31.2
107.04996	1.2
107.08600	39.9
109.06535	7.0
109.10161	28.4
110.10474	1.2
111.08082	6.5
111.11720	1.5
115.07599	1.9
117.07030	6.0
119.08585	41.6
120.08981	1.5
121.06506	8.4
121.10144	35.5
122.10494	1.2
123.08071	7.8
123.10915	1.7
123.11715	18.9
125.09627	3.9
128.06227	1.8
129.07024	2.6
131.08568	14.0
133.06508	2.7
133.10135	35.0
135.08076	15.0
135.11703	20.5
137.09612	5.3
137.13234	6.6
139.01065	1.3
139.07599	2.2
139.11211	4.5
141.06898	1.9
142.07794	3.3
143.08568	10.1
144.09325	2.8
145.10132	24.7
147.08067	5.1
147.11690	17.7
149.09627	52.7
149.13240	10.4
150.09966	2.5
150.13599	1.3
151.07542	1.4
151.11214	4.8
155.08569	3.8
156.09370	3.8
157.10130	14.3
159.08105	3.1
159.11703	22.1
161.09650	12.7
161.13268	12.6
163.11205	14.3
163.14844	7.3
165.12766	10.2
167.14337	3.5
169.10129	5.9
170.10930	2.6
171.11711	11.4
172.12445	1.4
173.09639	4.1
173.13239	14.0
173.31296	1.0
175.11168	10.6
175.14836	14.2
176.15138	1.1
177.12788	7.4
177.16397	4.2
179.14322	2.9
181.10118	1.7
183.11716	6.1
184.12453	2.1
185.13297	8.8
186.10043	1.1
187.11212	5.5
187.14825	16.9
189.12788	7.1
189.16402	17.0
190.16849	1.3
191.14288	9.4
191.17978	2.6
193.15858	2.6
195.11682	2.4
196.12527	1.5
197.13274	5.6
199.11208	1.9
199.14848	9.5
200.15327	1.3
201.12741	3.6
201.16431	8.7
203.14378	5.0
203.17993	3.9
205.12108	1.4
205.15904	9.3
207.11775	1.6
207.17462	2.0
209.13284	4.8
211.14861	4.2
213.12764	2.1
213.16414	6.6
215.10516	1.2
215.14352	4.2
215.17987	5.2
217.15891	14.0
219.13980	1.2
219.17467	4.5
222.14029	1.3
223.14784	2.2
225.16411	4.2
227.17879	6.4
229.15936	3.8
229.19434	2.8
231.13860	2.1
231.17456	12.4
233.15355	3.9
233.19154	2.5
235.14732	1.7
235.20604	1.9
237.16444	1.8
239.14357	2.0
239.17986	2.4
241.15984	2.6
241.19492	3.1
243.17459	3.0
245.19012	4.1
247.20583	1.6
249.18591	2.1
251.17812	1.4
253.19579	1.6
255.17424	2.0
255.20848	2.6
257.22653	1.6
265.19553	2.2
267.17706	1.5
267.21094	3.4
269.18945	1.7
269.22565	2.4
271.20749	1.8
273.18646	1.5
273.22128	2.6
281.19009	1.7
283.20584	3.4
285.18536	1.4
285.22110	3.6
293.22708	1.5
295.20697	1.5
295.23993	1.6
297.22031	2.2
299.23849	1.6
323.27292	1.6
325.25253	1.6
349.25366	1.7
351.26895	1.2
363.26834	1.6
367.26309	1.6
377.28336	3.0
377.32394	1.6
391.29861	2.4
395.33154	3.0
401.32336	1.6
419.29520	4.0
419.33557	24.2
420.33652	2.6
437.20865	1.9
437.29367	8.2
437.34784	100.0
438.35223	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	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.01217	1.2
53.03958	1.2
53.48612	1.2
55.05511	4.3
57.07072	1.7
61.25158	1.1
67.05508	8.3
67.41991	1.2
69.03436	2.3
69.07071	10.3
69.23055	8.0
72.22338	1.2
73.02919	1.3
79.05476	6.2
81.07054	17.3
83.08623	3.6
89.06030	4.6
91.05466	5.8
93.07053	9.2
95.04983	2.0
95.08610	26.5
97.06544	2.5
97.10186	2.0
105.07018	8.7
107.08598	15.2
109.06520	3.2
109.10154	14.4
111.11633	1.5
117.07002	1.3
119.08569	13.9
121.06513	1.8
121.10151	14.7
123.08101	3.3
123.11707	9.0
129.07057	1.9
131.08575	5.0
133.08626	3.1
133.10121	8.9
135.08061	8.5
135.11674	6.9
137.09619	6.3
137.13228	6.4
143.08562	3.7
145.10127	8.3
147.08064	2.7
147.11716	7.0
149.09612	11.8
149.13264	3.3
156.09364	2.1
157.10106	6.5
159.11719	6.3
161.09633	5.1
161.13261	4.1
163.11209	4.5
163.14873	2.1
169.10172	2.2
170.10986	1.6
171.11700	6.0
173.09650	1.6
173.13309	6.2
175.11180	2.2
175.14873	2.6
177.16397	3.6
183.11659	1.7
185.13306	4.1
187.11159	2.8
187.14847	4.3
189.12759	5.0
189.16435	5.1
191.14333	1.5
191.17987	2.0
197.13322	1.7
199.14775	3.0
199.83926	1.5
201.16304	3.3
203.14146	1.7
203.18019	2.0
205.15863	1.8
205.19612	2.0
211.14906	1.9
214.04256	1.4
215.17955	2.6
217.15933	3.5
217.19518	2.2
231.13771	1.6
233.15413	3.6
239.14879	4.0
243.21010	2.0
245.22726	3.3
253.19461	1.5
255.21237	1.7
257.22531	1.9
271.35800	1.2
281.19177	2.0
283.24576	1.4
296.95526	1.4
299.20239	2.1
401.32031	2.4
409.34332	2.0
419.33090	9.9
437.20969	8.9
437.34219	100.0
438.34406	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	437.3415
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
52.92112	0.2
53.03937	0.4
55.05516	1.2
56.20854	0.2
57.07078	0.4
67.05503	2.4
69.03426	0.7
69.07071	3.7
69.15893	1.0
69.16323	0.8
79.05494	1.8
79.85855	0.2
81.07058	4.6
83.05006	0.3
83.08215	0.2
83.08603	1.3
83.54926	0.2
89.06049	0.4
89.89809	0.2
91.05470	1.7
93.07050	3.0
95.04979	0.7
95.08609	8.8
96.08884	0.2
96.93382	0.2
97.06546	0.5
97.10171	0.7
97.56576	0.2
98.22596	0.5
103.63540	0.2
105.07039	3.7
107.07875	0.3
107.08598	4.8
109.06532	0.8
109.10159	5.2
111.08079	0.5
111.11726	0.8
117.07018	0.7
119.08582	4.7
121.06503	0.9
121.10144	4.7
123.08074	1.1
123.11701	2.5
125.13331	0.2
129.07021	0.5
131.08566	2.8
133.06519	0.3
133.10126	4.3
135.08029	1.8
135.11690	2.7
137.09622	0.9
137.13277	1.4
138.08560	0.2
141.07007	0.3
142.07787	0.6
143.08559	1.8
145.10132	3.9
147.08072	1.4
147.11674	2.2
149.09615	1.5
149.13264	1.2
151.07545	0.2
151.11125	0.2
155.08574	0.6
156.09311	0.4
157.10129	2.5
158.10905	1.0
159.08104	0.4
159.11699	3.9
160.12102	0.2
161.09665	1.3
161.13257	2.3
163.11188	0.7
163.14830	0.6
165.12784	0.3
169.10150	0.9
170.10924	0.6
171.08060	0.4
171.11708	1.9
172.12354	0.3
173.09607	0.8
173.13257	5.7
173.14610	0.4
174.13663	0.4
175.07570	0.3
175.11218	1.3
175.14861	1.3
177.12779	0.4
177.16420	0.5
182.10840	0.3
183.11682	1.1
185.09613	0.6
185.13257	2.2
186.13663	0.3
187.11221	0.7
187.14801	2.8
189.12712	1.5
189.16405	0.8
191.14481	0.3
191.17964	1.3
195.11697	0.7
196.12520	0.3
197.13289	1.1
199.11235	0.6
199.14842	2.3
200.15305	0.2
201.12775	0.5
201.16451	0.8
202.16795	0.2
203.14296	0.7
203.18022	0.6
205.15900	0.4
205.19557	0.4
209.13300	0.6
211.14748	1.0
213.12750	3.0
213.16386	0.7
215.14331	1.6
215.18021	0.8
217.19612	0.3
219.13812	0.4
219.17398	0.3
221.13255	0.4
223.14789	0.5
225.16423	0.5
227.14325	0.6
227.17914	0.4
229.15901	0.5
229.19554	0.4
231.13795	2.2
231.17448	0.5
233.15379	0.5
233.19156	0.4
235.14989	0.3
237.16321	0.5
239.14500	0.3
239.17894	0.6
240.18553	0.2
241.15906	0.5
241.19621	0.4
243.21074	0.5
247.09045	0.2
253.19525	0.4
255.17436	0.6
259.20715	1.1
263.17981	0.5
273.18637	0.3
281.19028	0.9
281.22626	0.4
285.18466	0.6
295.23947	0.4
299.20044	0.8
324.28156	0.4
327.23099	0.4
331.24185	0.3
339.26920	0.3
353.28482	0.4
367.30051	0.6
375.30344	0.5
377.32062	0.3
389.67404	0.2
391.33746	0.6
393.31500	3.1
394.31573	0.3
401.32037	0.6
403.58792	0.2
409.34766	0.3
419.33044	5.0
420.33530	0.7
437.34143	100.0
438.34503	11.9
447.12753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
53.03947	1.7
55.01877	3.1
55.05520	6.8
57.07080	2.6
59.04994	1.1
60.30510	0.8
62.16545	0.9
65.03939	1.8
65.57622	0.9
67.05511	19.8
69.03446	2.1
69.07066	16.0
71.05003	3.3
71.08652	1.5
75.04665	0.9
77.54554	0.8
78.66945	0.8
79.05498	7.7
81.07060	23.5
83.04980	3.4
83.08634	5.0
87.07112	0.9
89.06033	2.4
91.05496	9.2
93.07048	14.3
95.04974	4.1
95.08611	33.6
96.08948	0.9
97.06523	3.9
97.10172	2.6
99.08098	1.6
105.07031	34.5
107.08597	18.6
109.02892	3.5
109.06538	2.8
109.10162	58.8
110.10471	1.7
111.08093	3.0
111.11747	4.1
115.05473	1.6
117.07035	3.2
119.04883	1.0
119.08589	34.7
119.09449	1.7
121.06490	4.1
121.10158	15.5
123.04439	1.0
123.08082	6.8
123.11714	9.9
125.09652	1.8
127.11225	1.4
128.06233	1.2
129.07022	2.1
130.07823	1.2
131.08568	8.0
133.06514	3.5
133.08618	1.6
133.10147	21.0
134.10463	1.1
135.08046	5.9
135.11705	11.1
136.94122	0.9
137.06020	1.8
137.09605	5.5
137.13281	5.8
139.11206	8.2
141.07040	1.0
142.07756	2.0
143.08609	5.4
144.09369	1.1
145.06517	1.0
145.10150	9.8
147.08058	18.6
147.11728	8.0
149.09621	5.8
149.13280	3.4
151.07559	3.2
151.11179	1.3
151.14832	3.1
153.12732	1.1
155.08572	2.2
155.10666	1.0
156.09357	1.4
157.10136	12.9
158.10756	1.1
159.08081	4.8
159.11713	9.4
161.06006	1.0
161.09622	12.6
161.13258	4.9
163.07590	2.8
163.11218	8.3
163.14853	2.8
165.12784	5.2
169.10158	3.5
170.10709	0.9
171.08061	1.3
171.11690	7.7
173.09602	4.2
173.13286	5.7
175.07547	18.1
175.11147	8.3
175.14850	3.5
177.09271	1.0
177.12842	1.4
177.16394	7.7
179.10748	1.6
180.09102	1.0
181.10165	1.0
183.11702	2.4
184.20834	0.8
185.09634	1.0
185.13315	4.4
187.11194	3.5
187.14873	3.4
189.09135	1.8
189.12762	5.7
189.16431	2.5
191.10641	1.1
191.14403	2.0
191.17978	1.3
195.11711	1.4
196.12576	1.1
197.13290	3.5
199.11182	1.9
199.14877	3.4
201.12747	2.9
201.16438	3.1
203.10683	4.0
203.14354	1.3
203.18095	1.6
205.15952	1.3
205.19531	1.0
209.13232	1.6
211.11172	1.3
211.14804	3.6
213.12865	1.4
213.16405	2.1
215.14374	2.6
215.17970	1.5
217.12299	2.3
219.13834	2.7
225.12881	1.3
225.16396	2.2
227.17961	1.9
229.15939	1.1
229.19540	4.1
231.13849	2.3
233.15462	3.8
239.14523	1.2
239.17998	1.4
241.15820	1.4
241.19530	2.1
243.17560	1.5
245.19028	2.8
247.20619	1.0
253.19539	3.3
255.21021	1.9
259.20416	1.2
261.22174	1.7
263.17978	1.1
267.17380	1.2
267.21149	2.4
271.20657	3.0
281.19308	2.1
281.22711	3.6
283.24142	1.1
285.18536	24.2
285.22067	5.1
285.25006	1.2
286.18930	1.6
293.22739	1.1
299.20157	2.4
299.23752	7.8
309.22122	3.6
313.21701	1.0
327.23154	10.7
327.26566	1.4
328.23532	1.4
338.58960	1.2
351.26846	1.8
353.24811	3.6
381.27921	1.2
401.32343	1.0
409.30621	4.5
419.33124	8.8
437.34167	100.0
438.34482	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	438.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.59188	1.6
55.01872	5.2
55.05508	7.9
57.03429	3.3
57.07081	2.6
59.04995	3.2
61.02922	2.2
67.05519	9.3
68.99786	3.1
69.03443	12.2
69.07069	7.7
69.22974	1.8
70.50283	2.7
70.50613	1.9
71.04993	5.9
73.02934	2.0
73.06563	1.9
79.05495	7.4
81.03413	8.3
81.07055	26.7
83.08624	5.5
85.02901	18.2
85.06540	3.7
87.00829	7.7
89.97165	1.7
91.05499	5.8
93.07043	11.4
95.04980	7.0
95.08616	24.3
97.02879	11.0
97.06560	2.9
97.10156	8.9
99.04464	4.6
105.01876	7.3
105.07026	10.3
107.04921	2.8
107.08615	8.2
109.02865	8.8
109.06548	3.5
109.10157	4.9
115.03843	2.3
119.08585	7.0
121.06513	1.9
121.10157	8.0
127.03947	10.5
129.07008	1.9
131.08583	6.7
133.10143	11.7
135.08057	1.8
135.11694	3.7
137.09634	7.0
137.13254	41.2
143.08546	2.4
145.04964	2.3
145.10117	7.2
147.11731	2.9
149.09665	3.1
149.13351	1.9
153.12764	5.8
154.13120	2.9
155.14311	100.0
156.14705	3.7
157.10205	2.0
159.02931	1.8
159.11682	2.4
163.11243	2.4
171.02924	2.6
171.11594	2.0
173.09627	2.8
173.13206	1.9
173.15370	19.7
183.11797	1.9
186.66536	1.7
187.14816	2.2
189.03943	2.0
191.10739	4.8
191.14275	5.4
213.10110	1.9
215.17969	2.0
231.05077	2.7
420.14981	1.9
438.14917	3.9
438.21399	2.3
439.17242	2.0
439.22974	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	438.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
57.07078	67.4
58.07384	1.8
60.20389	1.8
67.05499	4.1
69.07080	11.0
70.46760	2.5
70.47094	3.1
71.08632	64.7
72.08945	2.0
73.06561	2.2
79.05495	4.0
81.07050	5.3
82.08711	1.5
83.08604	4.5
85.10185	36.2
85.10711	2.0
87.04473	2.2
89.06031	100.0
90.06380	1.9
91.05481	2.2
93.07059	5.8
93.45567	1.7
95.08626	6.8
97.10178	3.1
99.11742	4.4
105.07041	5.0
107.07063	2.8
107.08613	6.1
109.10169	3.8
111.11731	3.7
113.13298	4.9
119.08592	6.9
121.10164	6.9
123.11719	4.1
125.13300	2.4
127.14803	4.2
130.08557	2.3
131.08545	4.0
133.08603	59.3
133.09656	3.0
133.10124	3.9
134.08960	2.6
135.11703	2.4
145.10168	4.7
147.11693	4.3
151.09714	4.8
157.10139	3.9
159.11725	5.2
161.13306	2.5
163.14806	2.6
173.13258	3.0
175.14931	1.8
177.11230	15.4
195.12251	3.2
213.16362	2.8
239.14893	40.4
261.18567	2.2
271.26239	2.3
289.64532	1.8
315.28915	2.8
346.02765	1.8
393.31592	15.2
397.91821	2.0
420.33426	2.9
421.30447	2.3
421.35318	21.8
422.35291	3.6
439.22534	2.2
439.31250	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1027
Annotation	Hypnum acid methyl ester
Peak:m/z	Relative Intensity
53.07690	0.3
55.05512	0.5
56.59889	0.3
64.52859	0.3
65.03915	0.3
66.93525	0.3
67.05493	1.5
68.53514	0.3
69.03423	0.3
69.07063	0.8
70.59808	0.7
71.05017	0.4
72.82961	0.3
79.05494	1.2
81.03391	0.3
81.07061	1.8
82.07359	0.3
83.04975	0.5
83.08617	0.3
85.82226	0.3
91.05484	0.9
93.07063	1.8
95.04985	0.5
95.08613	3.0
97.10150	0.4
98.59368	0.3
103.05470	0.3
105.07038	1.4
105.88882	0.3
107.08622	1.8
109.10176	1.7
119.08582	1.8
121.10163	1.4
123.08064	0.5
123.11729	0.7
129.06995	0.4
131.08580	0.9
133.10147	1.7
135.08057	0.5
135.11694	0.9
137.09688	0.3
143.08575	0.5
145.10120	1.3
147.07983	0.4
147.11687	1.0
149.13364	0.5
149.74689	0.3
153.01840	4.3
157.10149	1.0
159.11676	0.9
161.13211	0.6
171.11716	0.4
173.13268	0.6
175.14851	0.5
179.14427	0.3
183.11626	0.6
185.13303	0.6
187.14857	0.9
189.16428	0.4
199.14861	0.5
201.05524	0.6
203.14368	0.4
211.14937	0.3
213.05504	0.5
215.18007	0.4
217.19420	0.4
229.04958	0.7
241.04970	0.9
242.05750	23.8
243.06197	1.4
257.04434	4.4
258.05215	1.2
268.07144	0.4
269.04443	7.0
270.05078	2.4
271.05862	0.6
279.06741	0.8
285.03943	14.8
286.04605	3.7
287.05515	7.1
288.05823	0.5
293.08136	2.8
294.05753	0.4
294.08850	1.2
295.06180	0.8
297.03915	0.9
299.05521	0.4
305.08182	1.0
307.06064	0.9
308.06799	1.5
309.07571	5.6
310.04767	0.8
310.07877	0.4
311.05453	3.1
312.05789	0.3
321.07584	5.6
322.08267	2.9
323.05457	0.6
324.68997	0.4
333.07718	1.4
334.08304	1.0
335.05478	2.1
339.04761	0.3
349.07004	1.8
350.07806	3.6
353.06586	2.4
361.07178	1.7
377.06442	0.7
378.07373	9.1
379.07520	0.8
381.06061	10.6
382.06485	1.4
395.07858	2.0
406.06787	1.3
407.07321	0.8
409.05551	9.9
410.05890	0.5
423.07123	10.7
424.07849	4.3
425.08432	0.5
439.10251	100.0
439.26697	24.8
439.36182	1.0
440.10608	9.5
440.26974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03532	2.0
69.03962	1.8
70.06599	0.8
81.07072	0.6
84.04519	1.2
85.06545	0.5
91.05482	0.5
93.07053	0.6
95.08617	0.7
97.02902	0.4
100.11248	0.6
101.07150	0.6
104.06066	0.6
105.07025	0.9
107.08602	1.1
109.10145	0.5
117.07009	0.5
119.08544	0.5
127.00061	0.8
127.92951	0.4
131.08595	0.6
133.10170	1.9
137.06017	0.6
137.09607	1.0
139.37508	0.5
147.11685	0.6
147.21680	0.5
148.04733	0.5
159.11673	0.6
167.08258	0.6
175.03731	1.8
182.11604	0.4
185.04335	0.5
187.14952	0.4
190.06007	13.5
190.07671	0.8
191.06792	16.0
191.14278	0.7
203.05328	0.7
212.10333	1.3
227.05313	3.3
245.32593	0.4
264.10028	0.4
271.04300	3.7
335.11011	0.8
341.14639	1.2
353.12122	5.9
353.50879	0.4
377.12024	1.0
395.13135	45.4
396.13358	2.5
439.12152	100.0
439.18521	7.7
440.12427	8.9
455.87009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1427
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
55.66686	0.7
69.49612	3.7
74.65639	0.8
92.11812	0.8
94.93031	0.9
96.92241	10.4
96.92838	1.2
103.02452	1.0
112.89602	3.9
114.89356	2.9
133.03488	6.9
145.03455	1.3
151.04544	1.7
154.25584	0.7
155.01880	1.1
174.94247	0.9
175.04590	2.4
180.97531	3.0
185.04257	0.8
187.04449	1.0
190.33368	0.7
192.97559	0.9
195.29713	0.8
201.06084	1.6
203.05457	0.8
211.04591	1.7
216.95181	1.3
217.05603	1.9
218.03838	0.8
242.57538	0.8
276.97351	1.4
277.08997	28.8
295.08667	5.6
306.15756	0.6
365.10507	3.0
381.07956	1.0
389.51141	0.8
439.14246	100.0
440.14642	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	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52032	0.3
70.96690	0.5
82.04006	0.3
83.01098	0.9
86.09734	0.3
95.01078	1.9
96.01878	0.6
101.74464	0.3
112.01365	0.9
113.02132	2.5
126.02912	0.5
141.05258	0.3
157.04723	0.7
167.03224	0.5
185.04216	4.6
201.03708	0.8
202.06067	3.1
203.05164	0.7
234.75974	0.4
256.14450	0.3
259.07968	0.7
261.16284	0.3
277.10394	0.6
314.77341	0.3
316.20782	0.3
439.15759	100.0
440.16089	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	439.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03189	0.4
54.11015	0.5
55.01859	0.5
57.03407	0.5
60.04515	2.1
60.39882	0.4
67.05479	1.6
69.03427	0.7
69.62022	1.9
69.85280	0.4
70.06564	1.7
72.08134	0.7
83.01089	1.0
83.04961	0.4
84.04523	3.7
84.04982	0.7
84.08130	0.4
85.02905	0.8
86.09678	1.4
91.05470	0.8
95.01076	1.6
95.04929	0.6
96.01868	0.6
101.07148	2.1
102.05510	0.8
105.07057	0.4
106.85269	0.4
109.10123	1.5
110.07138	1.2
112.01301	0.7
112.03922	1.2
113.02122	2.6
119.08527	0.5
120.08051	0.5
121.06476	0.6
122.05984	0.7
126.02865	0.5
127.03886	0.8
127.11167	0.9
129.06567	0.7
130.04987	0.5
135.27756	0.5
137.05893	0.5
141.05136	0.6
150.05482	1.5
153.06598	0.4
157.04622	0.9
165.06671	0.5
167.03268	0.5
167.08125	1.8
174.05489	0.7
185.04234	3.7
194.09164	1.0
195.07558	1.9
199.13225	0.7
201.03679	1.2
202.06030	2.2
203.05133	0.5
212.10281	3.1
259.07635	0.7
262.10223	0.4
277.10291	0.9
295.02759	0.5
323.13354	0.9
341.11536	0.4
341.14499	4.4
439.15399	100.0
440.15756	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	439.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42907	1.1
51.02382	1.3
53.03940	4.9
53.14058	1.3
55.01874	25.2
55.05511	11.8
57.03432	6.0
57.07085	1.5
57.70019	1.1
58.74481	1.1
61.02921	2.4
65.03934	4.9
67.05505	32.7
68.05830	1.5
69.03432	9.5
69.07069	16.7
69.37275	8.1
70.06587	3.3
71.01352	3.7
71.04988	17.6
72.08137	3.3
73.02909	1.9
75.73244	1.1
77.03932	1.7
79.05492	34.5
79.91585	1.3
80.05831	1.3
81.03410	5.1
81.07058	45.7
82.07372	1.8
83.01340	6.6
83.04979	13.5
85.02908	8.8
85.06543	10.6
87.00833	3.0
87.04462	2.5
91.05483	29.9
92.94971	1.2
93.07041	61.2
95.01337	1.4
95.04969	100.0
95.08614	16.7
96.05317	1.8
97.02916	1.9
97.06528	22.0
98.22615	2.1
99.04465	11.2
99.08106	3.0
101.02357	1.7
103.05439	2.8
105.04510	1.7
105.07029	67.8
106.07352	1.5
107.04956	19.0
107.08596	31.3
109.02861	2.5
109.06515	36.2
109.10150	3.1
111.00806	33.3
111.02638	2.9
111.04455	2.8
111.08077	3.3
113.06004	6.6
115.03950	4.4
115.05442	2.3
116.06327	1.4
116.07110	1.7
117.07018	13.6
119.04942	3.9
119.08582	21.2
120.08099	2.3
121.06519	14.0
121.10145	35.5
122.06026	3.9
123.04446	9.4
123.08051	7.6
125.05963	5.7
127.03906	3.8
127.07526	6.0
128.06190	2.5
129.01836	6.1
129.07021	4.8
130.07816	8.1
131.04942	1.3
131.08572	34.0
133.04950	2.0
133.06483	7.0
133.10126	6.1
133.94531	1.4
135.04405	4.4
135.08040	6.1
135.11690	18.5
136.07567	2.2
137.05978	17.5
137.09647	1.5
137.13239	1.4
139.00258	1.4
139.07549	2.9
139.11203	2.9
141.05447	1.8
141.06987	1.6
143.03381	7.4
143.07053	1.8
143.08542	7.8
144.09326	4.2
145.06468	3.4
145.10118	70.4
146.10454	2.1
147.08061	6.1
147.11688	5.5
149.05959	3.9
149.09628	19.4
150.05502	1.6
151.03905	2.8
151.06383	2.1
151.07542	28.8
153.05467	3.3
153.09091	1.4
155.07042	3.7
155.08453	2.2
155.14296	7.4
157.01352	1.5
157.10062	2.4
158.07280	3.0
158.10971	1.4
159.08057	3.9
159.11697	20.7
160.12065	1.3
161.04462	2.7
161.09593	4.3
161.13287	2.0
163.07518	2.3
163.11182	45.4
164.07072	2.0
164.11620	2.0
165.09091	4.6
167.07065	2.0
167.10706	2.2
169.10115	5.6
171.02872	24.1
171.11618	1.6
173.09634	21.4
173.13245	9.2
173.15387	4.8
177.12791	3.0
179.10609	1.9
181.12186	6.1
183.06551	4.3
187.11182	38.1
188.11612	1.6
189.03955	5.1
189.09064	1.6
189.12810	1.7
191.10672	55.1
192.11050	2.1
197.09688	2.9
205.12253	21.8
206.12634	1.4
209.11705	27.3
213.12360	1.5
215.10674	22.3
217.03362	2.7
231.04974	4.9
233.11731	28.3
251.12866	9.0
259.04431	2.2
293.13699	1.5
361.12930	1.3
379.13818	4.9
393.15549	3.0
397.15018	11.1
403.14056	1.9
421.14755	7.6
422.14481	1.4
429.73126	1.2
439.15536	8.8
439.19440	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	439.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01883	0.8
55.05508	2.4
57.03434	1.0
57.07046	1.1
61.94588	0.7
65.03951	1.0
67.05515	5.9
67.13451	0.7
69.03442	6.4
69.05588	4.8
69.05993	1.6
69.07057	2.7
77.03929	0.9
79.05495	7.0
81.03405	2.4
81.07053	5.5
83.04970	3.9
85.02910	2.4
85.06525	0.9
87.00813	1.5
91.05484	7.6
93.07066	4.7
95.04966	5.7
95.08604	5.6
97.02876	1.7
97.06509	1.3
98.22681	1.2
105.06358	1.4
105.07026	11.9
107.04963	3.8
107.08593	19.9
107.09291	1.4
109.02898	0.9
109.06512	2.2
109.10162	7.5
111.04414	0.8
115.05433	1.4
117.06988	2.3
119.08569	7.0
121.06511	3.0
121.10139	14.5
122.07315	5.4
123.08067	1.7
123.11758	0.9
126.77045	0.8
127.03928	2.5
131.08572	4.9
133.10127	100.0
134.10443	3.7
135.08040	6.1
135.11685	1.0
137.05977	2.0
137.09613	53.0
138.09978	2.2
139.12344	0.7
142.07822	0.7
143.08545	2.5
145.10146	4.2
147.08046	1.3
147.11690	3.0
149.09613	9.1
149.13264	6.0
157.10147	1.7
158.10904	2.0
159.08061	1.1
159.11667	2.1
161.09511	0.8
163.14798	2.0
173.13269	6.7
175.11159	1.2
175.14665	0.8
177.12747	0.9
187.11137	1.2
187.14781	2.7
189.12791	1.6
191.14305	31.9
192.14629	1.5
201.12675	1.2
203.14328	2.7
205.15758	0.9
231.13850	1.6
335.18457	0.8
404.80420	0.7
421.18573	1.2
421.30859	1.0
439.23160	1.4
439.31787	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.6
55.01876	18.8
55.05512	33.0
57.03436	9.6
57.07082	15.3
59.05014	3.2
61.02915	2.8
65.03933	6.4
67.05503	39.5
67.05871	2.9
68.99783	12.4
69.03432	52.0
69.07068	33.2
70.06592	8.7
71.04991	9.3
71.31712	2.4
72.08131	2.3
73.02930	4.7
79.05492	47.7
79.22944	2.0
80.38013	2.1
81.03416	53.1
81.03858	4.2
81.07058	65.2
83.04982	56.8
83.08630	21.7
85.02904	52.1
85.06540	7.7
87.00835	27.1
91.05479	49.9
93.03427	3.7
93.07043	55.5
95.04968	36.1
95.08603	45.5
95.09160	3.6
95.77522	2.4
97.02887	48.9
97.06535	17.7
98.82568	2.5
99.04452	12.4
99.08109	2.3
101.05996	2.3
103.03954	5.3
103.05474	7.8
105.01884	8.8
105.07030	67.6
106.07349	3.3
107.04967	15.1
107.08594	100.0
108.08925	3.1
109.02881	30.0
109.06525	46.9
109.10153	52.0
111.04445	47.8
111.08076	32.6
113.02393	3.0
113.06001	2.1
113.09673	2.4
115.03919	8.5
115.05477	6.9
116.06235	3.2
117.01828	4.4
117.07000	20.3
119.04961	6.7
119.08578	69.8
121.06509	25.9
121.10141	73.2
123.04440	8.5
123.08067	33.8
123.11697	15.8
125.06004	9.7
125.09639	11.0
127.03905	39.7
127.07590	5.2
128.06226	4.5
129.01849	4.0
129.07037	13.7
130.07826	2.6
131.08571	61.5
133.06523	10.1
133.10126	59.3
135.04408	2.5
135.08052	34.2
135.11696	20.6
137.05972	21.1
137.09641	15.4
139.07568	5.0
139.11209	3.8
141.05537	2.8
141.06966	4.0
142.07791	3.2
143.08572	13.6
144.09291	2.7
145.04968	3.8
145.06483	9.5
145.10127	32.3
147.08034	21.8
147.11655	22.5
149.06003	13.3
149.09615	17.2
149.13252	46.3
150.10463	2.7
151.07533	39.4
151.08725	2.2
151.11229	6.1
152.07895	2.4
153.09113	8.3
155.08556	6.0
156.09352	7.7
157.10143	12.9
158.10944	5.4
159.02896	7.3
159.08044	4.2
159.11696	16.7
161.06027	5.0
161.09624	12.6
161.13248	12.5
163.07571	17.4
163.11194	17.0
163.14812	20.7
165.06914	2.3
165.09135	5.2
165.12785	4.1
167.07005	5.6
167.08466	3.3
167.14316	5.5
169.10150	3.4
170.10994	3.6
171.08107	3.6
171.10164	9.6
171.11726	12.2
173.09657	11.0
173.13252	50.7
175.07590	3.5
175.11249	10.9
175.14845	20.6
177.09085	2.6
177.12721	4.8
179.14301	3.7
181.08554	2.8
181.10062	3.9
183.11784	2.3
185.09703	3.3
185.13298	6.8
187.11221	5.2
187.14754	5.1
189.03896	3.6
189.09117	3.7
189.12758	23.3
191.06960	4.9
191.10655	7.0
191.14310	59.2
192.14684	2.7
197.04475	4.5
197.09677	3.7
197.13339	4.7
199.11214	5.7
201.03987	4.3
201.12720	3.7
203.07292	3.6
203.10629	2.5
203.14325	12.0
207.13731	19.9
209.13527	2.5
209.15286	11.3
211.14699	3.2
213.04024	6.4
213.12686	6.9
215.14363	9.0
217.12263	7.7
219.13725	3.7
223.11244	2.5
225.14900	2.6
227.14275	3.3
229.15971	3.4
231.05066	3.0
231.13881	7.1
233.15384	8.6
239.14288	4.6
241.12247	3.0
257.15454	8.6
263.16516	2.8
274.74686	2.8
275.16422	6.4
281.15390	7.8
282.73779	2.4
299.16370	12.4
317.17477	9.1
335.18604	6.4
353.19693	7.7
403.17523	6.1
421.18637	16.3
422.18747	2.9
439.19312	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
54.73890	0.6
55.01861	1.7
55.05515	3.9
57.03431	1.0
57.07075	1.0
61.02919	1.1
65.03934	1.6
67.05508	5.7
68.99799	0.6
69.03437	8.1
69.07081	4.1
71.04995	1.2
71.31023	0.8
73.02909	1.3
79.05496	8.0
81.03418	3.9
81.07056	8.6
82.66916	0.6
83.04977	2.9
83.08614	1.7
85.02903	5.2
85.06557	1.7
87.00827	1.9
91.05482	9.6
93.07049	8.5
93.28211	0.6
95.04971	5.2
95.08618	3.9
97.02912	3.4
97.06535	1.2
98.09689	2.7
99.04476	1.4
99.08127	0.8
100.11246	1.5
103.03902	0.6
103.05442	0.8
105.01829	0.9
105.07034	13.2
106.07364	1.0
107.04955	3.8
107.08601	20.3
108.08922	0.9
109.02865	1.9
109.06534	4.0
109.10153	7.8
111.04449	1.8
111.08079	1.1
112.41866	0.6
115.03926	1.1
115.05449	1.4
117.07019	2.7
119.08573	6.8
121.06475	3.1
121.10154	15.2
122.07308	6.5
123.08084	1.5
123.11686	1.5
125.05974	0.9
127.03922	4.3
128.07104	1.0
129.01831	0.6
129.06999	0.9
130.40721	0.6
131.08583	5.9
133.10136	100.0
134.10500	2.7
135.08060	6.3
135.11687	2.4
137.06015	1.7
137.09622	48.2
138.09984	2.9
142.12213	0.8
143.08543	2.0
144.09430	0.7
145.04979	0.9
145.10138	4.7
147.08092	1.3
147.11649	3.7
149.09616	7.2
149.13274	9.8
151.11191	1.2
156.02795	0.5
157.10143	2.1
158.10924	1.5
159.11703	2.9
161.09615	1.2
161.13254	1.7
163.11226	2.2
163.14812	1.5
165.09135	0.7
165.12749	0.7
168.13805	0.8
169.10201	1.2
170.15402	1.0
171.11687	2.1
173.09532	1.3
173.13286	6.9
174.13547	0.8
175.11252	1.4
175.14847	1.5
177.16359	1.0
182.15382	0.9
185.13242	1.0
187.11143	1.7
187.14809	3.4
189.12752	1.0
189.16321	1.1
191.10728	1.4
191.14320	36.7
192.14627	2.2
193.12140	0.7
198.14969	2.1
199.14868	1.0
201.16362	1.5
203.05373	1.2
203.14377	1.6
205.16035	0.8
210.14871	1.9
215.14238	0.9
231.05013	0.8
231.13780	1.0
233.15381	1.3
245.15369	0.9
248.04480	0.6
257.15436	0.7
295.23819	1.5
335.18597	0.7
403.17902	0.7
421.18851	1.2
422.29785	1.4
439.14716	1.4
439.23657	11.8
439.31955	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.7
55.01873	18.9
55.05516	10.8
57.03447	5.4
59.62863	2.5
61.02922	4.3
65.03960	2.9
67.05503	31.6
68.99806	2.5
69.03440	11.2
69.07060	14.6
70.06570	7.3
70.18945	6.8
71.01363	3.5
71.04992	38.5
79.05502	13.9
81.03420	11.8
81.07056	72.0
82.06588	3.1
83.01331	3.2
83.04987	7.6
83.08639	3.0
85.02913	14.5
85.06543	18.1
86.09743	3.2
87.00852	9.1
91.05476	18.9
93.07049	29.3
94.06505	2.8
95.04967	60.5
95.05534	4.4
95.08611	48.4
97.02882	4.3
97.06554	11.6
98.23299	2.9
99.04476	5.9
99.08102	3.9
105.07031	34.4
107.04974	8.7
107.08586	17.7
109.02896	6.2
109.06543	17.9
109.07175	2.8
109.10178	9.8
111.00809	16.9
117.07035	3.8
119.04985	3.2
119.08563	13.2
120.08138	3.6
121.06519	9.0
121.10121	22.3
123.04431	31.8
123.08080	5.7
124.07604	3.0
125.06007	4.4
127.03976	12.2
127.11300	3.7
128.07121	4.6
129.06976	3.1
130.07823	5.1
131.08580	19.1
133.10191	7.3
135.04419	4.1
135.08089	4.2
135.11748	7.9
136.07591	6.9
137.06041	11.2
137.13300	10.2
139.11234	4.3
140.04759	9.5
143.03423	5.2
143.08591	3.0
145.04944	4.2
145.10121	33.3
147.08102	4.3
149.09689	8.3
151.03960	8.5
151.07616	12.8
155.07104	12.0
155.14302	66.4
155.15511	3.9
159.11682	7.1
163.11203	19.0
164.07077	5.0
165.05486	4.2
167.07112	6.9
171.02975	9.0
173.09628	8.9
173.15388	23.4
180.06573	4.4
183.06548	26.4
187.11172	16.9
191.10663	22.7
191.14507	3.2
191.16499	7.3
205.12320	8.9
207.13918	3.3
209.11800	11.7
213.12459	4.2
215.10796	8.8
231.05029	3.0
233.11816	12.5
259.14490	4.7
309.40332	3.2
342.77322	2.8
346.79303	2.8
379.13950	3.4
397.14709	3.4
439.19495	100.0
440.19879	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	439.23
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.01851	0.3
55.05500	1.3
56.89452	0.3
57.03442	0.5
57.07072	1.1
58.29358	0.3
62.86192	0.3
64.18123	0.3
64.43460	0.3
67.05506	1.8
69.03437	0.9
69.07060	1.3
71.04992	1.0
71.13495	0.3
71.45869	0.3
73.02917	0.6
79.05481	1.6
81.07047	3.2
83.04971	0.6
83.08643	0.6
85.02898	1.3
85.06538	0.8
91.05475	2.1
93.07030	3.0
95.04979	1.0
95.08607	4.1
96.01858	0.4
97.02877	0.5
97.06557	0.4
98.22582	1.0
105.07026	3.6
107.08586	3.1
109.02872	0.5
109.06520	1.0
109.10162	1.5
113.02107	0.5
117.07030	1.0
119.08599	3.7
121.06519	0.8
121.10148	3.4
123.08074	0.8
123.11704	0.6
125.02101	0.5
127.03909	0.6
128.06206	0.4
129.06970	0.3
131.08562	2.3
133.10135	2.6
135.08130	0.3
135.11671	0.9
137.05980	0.5
137.09627	0.6
142.08707	0.5
143.08598	1.0
145.10103	3.2
147.11700	1.2
149.09602	0.7
149.13246	0.7
151.07581	0.3
154.08647	1.4
155.08572	0.4
155.14317	1.8
156.14673	1.4
157.04764	0.5
157.10097	1.0
159.11714	2.3
161.09531	0.6
161.13245	0.8
163.11195	1.2
163.14824	0.6
165.09172	0.4
169.04750	0.7
171.11714	1.1
173.09633	0.6
173.13263	1.4
173.15358	0.5
174.15752	0.4
175.11252	0.4
175.14799	0.9
177.12828	0.5
177.16411	1.1
183.11673	0.6
185.04407	0.4
185.13242	0.8
187.11288	0.8
187.14815	3.5
188.15173	0.3
189.16414	1.5
191.10617	0.4
191.14273	0.7
197.13173	0.5
199.11290	0.3
199.14828	0.8
201.03728	0.5
201.16457	1.7
203.05278	4.5
203.14294	1.5
205.15881	0.5
211.13220	0.3
213.16322	0.7
215.10782	0.6
217.15849	0.4
224.06287	0.4
225.16154	0.5
229.19481	0.8
241.19531	0.4
245.15283	0.4
253.19370	0.6
259.16711	3.1
261.18289	1.4
267.21216	0.4
273.09497	0.6
277.17783	2.4
367.17340	0.8
369.18881	5.1
370.19336	0.7
403.29834	0.7
421.31100	1.7
439.16382	3.6
439.23022	100.0
439.31516	4.9
440.23425	7.8
440.29538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.23579	0.3
66.78863	0.3
69.03457	0.4
69.07081	0.3
70.06598	0.9
71.17324	0.5
72.08174	0.4
73.21540	0.3
78.02097	0.3
81.07062	0.6
86.09750	0.3
91.05499	0.7
93.07056	0.6
95.08632	0.6
98.72925	0.3
105.07079	0.8
107.08615	0.6
117.07021	0.3
119.08607	0.8
120.08144	0.4
121.10152	0.4
131.08604	0.7
133.10219	0.3
143.08521	0.3
145.10115	1.4
157.10110	0.4
159.11710	0.7
173.13297	0.6
175.14949	0.3
185.13307	0.7
187.14906	0.8
203.05243	4.7
203.14540	0.3
229.12177	0.3
241.15649	0.4
259.16718	7.0
259.19287	0.5
260.16989	0.5
261.14734	0.4
277.17831	1.8
421.22153	3.5
422.22458	0.4
439.23230	100.0
440.23529	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	439.2303
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05513	1.1
57.41301	0.3
67.05499	1.7
69.03455	0.4
69.07079	1.7
71.04980	0.3
79.05485	1.5
81.07054	2.9
83.08609	0.6
91.05476	1.9
93.07050	3.4
95.04982	0.4
95.08608	5.2
97.06533	0.7
97.67399	0.3
100.11256	0.5
105.07033	4.2
105.07690	0.5
107.08595	3.0
109.06503	0.5
109.10168	1.9
111.04420	0.3
111.11676	0.3
117.07008	0.9
119.08575	5.4
121.06510	1.1
121.10133	2.6
121.10727	0.2
123.08081	1.0
123.11722	0.9
129.07040	0.6
131.08574	3.1
133.10138	3.4
135.08055	0.7
135.11694	1.4
137.09624	0.5
142.07802	0.3
143.08569	0.8
145.10124	4.9
147.08090	0.9
147.11659	1.9
149.09630	0.7
149.13264	1.0
157.10144	0.9
158.09422	0.3
158.10881	0.5
159.11652	2.5
161.09619	0.9
161.13269	1.8
163.14830	1.3
168.13887	0.4
169.10129	0.5
171.11676	0.6
172.30238	0.3
173.13289	2.5
175.11223	0.5
175.14825	3.9
176.15172	0.4
177.16411	1.1
182.15367	0.6
183.11743	0.5
185.04340	0.4
185.13280	1.1
187.14825	3.8
189.12778	1.2
189.16414	2.2
191.14343	1.0
191.18086	0.4
193.15927	0.3
199.14796	0.9
201.03780	0.4
201.16406	3.2
203.05328	0.6
203.14337	1.9
203.17958	1.1
205.15904	0.8
211.14755	0.3
213.16377	0.6
215.14294	0.5
215.17908	0.4
219.17497	0.5
219.83437	0.3
228.15938	0.3
229.15991	0.4
229.19336	0.4
231.17479	0.6
247.16988	0.4
259.16592	0.3
261.18265	0.5
357.85428	0.3
367.17279	3.5
375.30429	0.4
393.31366	1.3
421.30859	1.0
439.23022	100.0
439.31482	5.0
440.23334	6.8
440.32498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
67.05500	4.8
69.03451	1.1
69.07066	3.9
69.55304	1.2
70.74973	1.1
71.30401	1.4
75.52592	0.9
79.05499	4.3
81.07049	8.9
83.04994	1.4
85.06554	1.3
91.05492	3.4
93.07041	6.7
95.05001	2.0
95.08607	10.1
97.06545	1.3
105.07033	5.4
107.04913	1.1
107.08595	8.5
109.06557	1.7
109.10153	6.2
109.67106	1.1
109.83720	1.1
111.08149	1.3
119.08599	5.5
121.10147	6.6
123.08059	1.5
123.11711	3.0
125.06004	1.3
131.08568	2.4
133.10164	5.1
135.08151	1.2
135.11687	2.5
137.09680	1.6
143.08525	1.6
145.10117	4.8
147.11685	4.0
149.09608	1.3
149.13260	1.4
153.01872	2.1
157.10129	2.8
159.11711	3.7
161.13220	2.1
163.11217	1.4
163.14836	1.2
169.10190	1.2
171.11681	1.3
173.13284	1.7
175.14873	1.5
182.15413	1.4
187.14848	1.6
189.16367	1.7
199.14803	1.4
201.16422	2.6
205.15881	1.3
209.13225	1.5
211.15031	1.4
242.05849	7.0
257.04440	1.8
269.04489	2.1
285.03983	3.4
286.04807	1.6
287.05405	1.5
309.07629	1.6
311.05737	1.7
321.07913	1.8
349.07501	1.1
350.07828	2.0
378.07327	3.7
381.06204	2.8
408.15515	2.0
409.05582	2.1
423.07172	2.0
424.08020	1.6
439.10254	30.2
439.26746	100.0
439.35538	5.6
440.10718	4.7
440.27029	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	439.2672
Annotation	Briarellin O
Peak:m/z	Relative Intensity
55.05514	1.7
57.07061	0.9
58.09901	0.6
60.35573	0.5
67.05515	2.7
69.07066	2.0
69.61566	1.2
69.61958	1.3
71.05009	0.7
79.05504	1.7
81.07061	4.4
83.08620	1.1
85.06558	0.8
91.05492	2.1
93.07057	2.7
95.08611	5.0
97.02921	0.6
97.10153	0.7
105.07041	3.6
107.08611	3.7
109.06486	0.7
109.10168	3.3
117.07042	0.9
119.08583	3.1
121.06550	0.7
121.10189	3.6
123.08083	0.9
123.11735	1.8
129.07001	0.8
131.08586	2.3
133.10176	2.6
135.11723	1.7
137.13283	0.7
140.25865	0.6
143.08592	1.2
145.10129	2.1
147.11711	1.5
149.09634	0.9
149.13303	1.3
151.11243	0.6
155.08568	0.6
157.10139	1.3
159.08125	0.6
159.11734	2.0
161.09610	0.6
161.13228	1.3
163.11122	0.7
169.10114	0.8
171.11777	0.6
173.09671	0.8
173.13269	1.0
175.11200	0.7
175.14850	1.1
179.14502	0.6
185.13297	1.0
187.14886	0.8
189.16463	0.9
201.16531	1.3
203.17857	0.6
209.13318	0.6
217.16029	1.3
217.19441	0.5
319.47940	0.5
421.34946	0.6
439.26733	100.0
439.35422	3.7
440.27097	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	439.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.1
55.05521	11.3
55.53971	2.0
57.07079	2.2
58.60943	1.9
58.91516	2.0
59.04992	2.4
65.03951	3.8
65.42661	1.9
66.49077	2.1
67.05501	35.2
67.05833	2.6
69.03426	11.5
69.07072	14.1
71.05008	3.2
71.30118	3.2
79.05499	24.8
81.03448	2.2
81.07061	40.4
83.04988	5.0
83.08643	5.9
85.06567	2.7
91.05482	24.9
93.07045	40.8
95.04974	34.4
95.08614	56.4
97.02898	2.0
97.06538	7.3
97.10223	2.8
100.16219	2.4
105.07034	47.9
107.05009	2.7
107.08595	56.0
107.09277	3.4
109.06528	11.1
109.10159	37.8
111.08115	3.5
117.07048	9.3
119.08588	54.6
121.06554	8.1
121.10149	34.2
123.08080	10.0
123.11730	8.0
129.07051	7.7
131.08575	21.5
133.06555	2.2
133.10135	33.9
134.15811	2.1
135.08099	7.3
135.11699	14.9
137.09654	12.9
137.13300	6.4
142.07814	5.7
143.08566	14.2
145.10123	33.4
147.08038	10.3
147.11690	23.8
147.12759	2.5
149.02365	18.1
149.03401	3.2
149.09645	7.9
149.13258	12.8
150.02715	9.0
151.11180	3.2
155.08543	5.8
156.09431	5.3
157.10126	20.5
159.08041	2.3
159.11671	26.1
159.12773	2.1
161.09688	10.3
161.13290	16.8
163.11214	3.5
163.14880	6.6
165.09216	2.6
168.09390	2.3
169.10234	7.0
171.11676	15.9
173.09737	3.0
173.13251	17.0
175.11232	4.6
175.14842	12.7
177.12834	2.7
177.16487	6.3
178.27295	2.5
179.14412	3.2
182.10959	3.9
183.11765	9.1
185.13268	12.2
187.11229	3.7
187.14844	21.7
187.16199	2.4
189.12822	4.7
189.16473	7.6
191.14409	7.4
193.05006	25.5
194.05334	17.1
197.13385	6.0
199.14896	8.7
201.16435	12.0
203.14311	49.6
203.17982	3.2
205.15906	24.9
211.14911	6.0
213.16481	9.0
215.14450	5.8
215.17975	2.9
217.15938	11.1
223.15002	2.7
225.16425	4.5
227.18019	3.1
229.15945	7.6
231.17497	10.1
239.17961	2.6
243.17444	5.3
245.19031	3.0
257.19098	2.8
269.19177	2.9
283.20792	3.0
297.22058	2.4
365.28540	2.2
369.74783	2.3
398.33350	2.3
403.30045	7.8
421.31064	40.1
422.31281	3.9
439.13931	12.1
439.32291	100.0
440.14352	4.4
440.32681	11.3
448.21771	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.321
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03952	2.8
55.01873	1.2
55.05511	7.5
57.07077	1.8
65.03943	3.3
67.05508	21.9
67.31820	1.1
69.03431	7.7
69.07072	11.9
71.04996	2.5
77.03940	0.9
79.05497	15.4
81.03407	1.4
81.07065	33.8
82.07380	1.0
83.04981	5.3
83.08617	4.1
85.06529	1.6
91.05484	22.3
93.07048	32.9
93.07627	1.9
94.07369	1.3
95.04974	37.9
95.08610	46.4
96.05293	1.5
96.08961	1.2
97.06534	6.7
97.10191	2.2
99.04472	2.4
103.05493	1.9
105.07036	40.6
106.07354	1.7
107.04958	2.6
107.08598	41.6
108.08916	1.0
109.06539	6.6
109.10164	30.8
111.08093	2.1
115.05459	1.8
116.06259	1.4
117.07023	7.4
119.08588	43.9
121.06493	8.2
121.10151	27.7
122.10449	1.1
123.08072	6.7
123.11727	7.3
125.09680	1.3
128.06207	2.5
129.07039	5.9
131.08572	21.6
133.06534	1.9
133.10146	25.0
133.11174	1.2
135.08076	7.5
135.11705	12.7
137.09601	8.4
137.10384	0.8
137.13268	5.2
141.07030	1.8
141.09048	1.0
142.07770	2.4
143.08574	10.1
144.09239	1.4
145.06541	1.3
145.10126	27.3
146.10455	1.2
147.08052	10.8
147.11694	16.5
149.09628	6.6
149.13293	7.1
151.11133	2.0
155.08574	4.1
156.09326	3.2
157.10133	13.1
158.10869	1.0
159.08092	4.3
159.11691	18.2
160.12036	1.1
161.09637	6.3
161.13245	12.9
163.11221	2.1
163.14838	6.3
167.08549	1.3
169.10109	6.7
170.10847	1.2
171.11707	10.3
172.08875	1.0
172.12299	1.7
173.09682	2.6
173.13275	12.0
175.11217	4.0
175.14824	9.9
177.12827	2.5
177.16411	4.5
179.14366	3.2
181.10167	1.7
182.10715	1.1
183.11723	5.8
183.13278	1.2
184.12447	1.7
185.13266	9.5
186.13821	1.3
187.11224	2.4
187.14841	19.0
188.15234	1.3
189.12764	5.6
189.16359	6.8
191.14314	6.0
191.18042	1.1
193.10007	0.9
195.11702	1.6
196.12564	1.7
197.13216	4.6
199.11272	1.1
199.14827	7.8
201.12769	2.3
201.16391	8.5
202.16835	1.1
203.14330	50.8
203.18008	3.3
204.14703	2.9
205.15892	24.9
205.17738	1.7
207.11821	1.0
209.13292	2.5
210.14037	1.2
211.14886	4.2
213.12822	1.9
213.16360	6.8
215.14388	4.1
215.17963	2.9
217.15874	8.3
219.17497	1.8
221.13344	1.1
223.14868	1.7
225.16405	2.5
227.17961	2.8
229.15837	7.6
229.19620	2.0
231.17430	10.8
232.17725	1.0
233.15401	1.5
239.17950	1.5
241.15891	1.6
241.19508	2.1
243.17465	3.3
245.19049	4.0
251.17984	1.5
253.19574	2.7
255.17509	1.8
255.21280	1.5
257.19058	3.8
265.19617	1.7
269.19070	2.2
271.20538	2.3
283.20538	1.7
293.19073	1.1
297.22076	1.6
321.25778	1.0
325.25354	2.5
339.26697	1.3
365.28516	2.9
374.72711	1.0
380.55911	1.0
391.29965	1.6
393.31686	1.9
403.29984	6.3
409.31012	1.8
421.31015	35.7
422.31427	4.0
439.32120	100.0
440.32376	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05507	20.9
57.07077	3.7
67.05511	32.4
69.07067	37.6
69.89719	12.5
71.04997	28.9
79.05498	17.8
80.32725	3.5
81.07057	69.1
83.08617	17.9
84.73698	3.2
91.05471	20.9
93.07058	37.7
95.04979	3.7
95.08608	79.9
97.10190	6.7
98.22632	3.2
101.57201	3.1
105.07030	43.2
107.08590	57.1
108.92027	3.4
109.06525	5.5
109.10152	49.6
111.08078	5.1
115.07580	36.7
117.07024	12.8
119.08592	56.0
121.10149	49.6
123.08090	8.9
123.11726	34.8
123.88245	3.7
129.07019	5.9
131.08560	20.0
133.10135	52.2
134.10381	4.5
135.08046	4.3
135.11694	29.1
137.09567	5.9
137.13272	14.3
143.08604	15.7
144.09325	7.9
145.10121	35.8
147.11697	37.3
149.09663	6.6
149.13286	15.6
155.08522	5.8
157.10147	18.3
159.11691	51.2
161.09604	4.0
161.13269	26.5
163.14821	8.2
165.12778	4.3
169.10060	9.1
171.11670	14.7
173.13284	25.3
175.11201	4.3
175.14810	23.8
177.16414	8.4
183.11649	6.7
185.13295	12.8
187.14799	22.5
189.12601	3.6
189.16379	18.9
191.17960	6.1
197.13251	12.4
199.14850	10.7
201.16354	20.3
203.14386	4.5
203.18004	16.9
205.19429	3.7
209.13248	3.9
211.14801	8.2
213.16365	10.3
215.14503	3.8
215.17952	11.8
217.15927	8.5
217.19421	3.5
219.17534	3.9
223.14693	4.4
223.17032	3.3
227.17979	6.6
229.19493	7.3
235.17227	3.5
239.17932	4.6
241.19514	6.6
253.19540	5.4
255.21156	6.0
269.22699	3.8
275.20129	5.7
285.21951	3.8
295.24115	10.5
297.25775	22.1
335.27081	5.5
396.30249	4.3
403.33850	5.1
411.32349	7.6
421.34799	53.0
439.36053	100.0
440.36108	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03939	1.4
55.05514	5.2
57.07068	3.4
60.55658	1.0
67.05505	10.5
69.07072	12.8
70.82749	2.2
74.08441	1.2
76.14504	1.1
79.05499	8.7
81.06577	2.5
81.07058	41.2
83.08613	5.6
91.05470	7.3
93.07053	17.8
95.08609	42.7
97.10182	1.8
104.47604	1.1
105.07029	14.8
107.08595	33.3
107.09284	2.1
109.10157	26.2
111.08077	1.2
111.11726	1.5
116.83736	1.4
117.07035	3.3
119.08588	20.4
121.10142	26.6
123.11709	68.5
124.12064	2.5
129.06975	2.1
131.08574	10.4
133.10135	20.2
135.11702	24.4
137.13260	9.2
143.08585	2.9
144.09326	2.0
145.10126	15.6
147.11700	13.0
149.09628	1.3
149.13264	15.9
151.11198	3.7
151.14851	6.3
153.12767	2.9
157.10132	3.4
158.10945	1.6
159.11714	18.7
160.12491	1.5
161.09679	2.1
161.13260	8.4
163.14842	11.2
165.16393	1.9
169.12128	1.2
171.11679	7.9
173.13274	15.0
175.14842	12.9
177.16367	3.0
179.14343	1.5
181.12253	3.0
181.15947	1.6
183.11746	1.6
183.13705	1.4
185.13249	6.8
186.14053	23.9
187.14822	34.5
188.15181	1.9
189.16367	12.9
191.14323	1.5
191.17981	1.4
195.13776	2.3
197.15425	2.7
199.14812	16.9
200.15627	1.6
201.16403	26.6
202.16948	1.3
203.17996	3.3
207.17531	1.4
209.15327	9.5
213.16354	10.5
214.17183	9.5
215.17950	12.7
217.19487	1.3
219.17419	1.7
227.17964	8.4
228.18674	2.3
229.19519	73.9
230.19881	2.3
231.21104	2.4
241.19592	4.3
242.20232	1.4
243.21088	9.2
245.19077	1.2
245.22731	1.3
255.21109	1.5
256.21811	2.8
257.22687	4.0
263.20093	1.8
269.22733	2.3
271.24167	7.3
272.51843	1.1
283.20587	1.1
289.21738	1.6
301.21710	1.7
303.23303	3.7
315.23367	1.2
355.26233	1.3
383.29297	2.5
396.30136	3.7
397.30963	3.5
421.34540	5.0
439.35699	100.0
440.35971	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05532	15.2
57.07077	8.7
65.03928	3.1
67.05508	20.3
69.05041	7.3
69.05450	12.1
69.07077	33.6
79.05507	9.6
81.07066	44.0
83.05013	2.9
83.08632	15.0
85.06561	4.7
89.06052	10.4
91.05476	19.5
93.07052	31.6
95.05003	7.1
95.08612	76.1
97.06554	4.1
97.10197	4.0
99.08099	2.6
105.07032	34.7
107.08595	97.8
108.92366	2.5
109.06564	3.3
109.10162	54.7
111.08074	29.7
111.11721	6.7
117.07044	2.5
119.08596	34.4
121.06496	16.1
121.10148	50.3
122.10513	4.0
123.08073	12.3
123.11710	66.3
124.12021	2.9
125.09621	4.9
127.11216	3.6
129.07047	4.5
130.07779	2.8
131.08553	22.7
133.06415	2.5
133.08620	5.5
133.10135	41.2
134.49345	2.4
135.08076	5.2
135.11722	28.4
137.09622	6.7
137.13286	15.8
143.08600	10.7
145.10143	36.8
147.08060	2.9
147.11711	24.5
149.09660	10.2
149.13283	11.1
151.14801	20.1
155.08643	4.3
156.09395	4.0
157.10141	17.5
158.10742	2.6
159.08061	6.0
159.11699	36.9
161.09633	7.6
161.13280	17.0
163.11212	5.9
163.14825	11.8
165.16447	4.0
169.10130	7.5
171.11667	21.8
173.09659	3.6
173.13252	22.8
175.11258	4.7
175.14818	7.6
177.12810	3.6
177.16411	21.5
181.15919	9.7
183.11723	8.8
185.13264	16.9
187.11180	4.5
187.14838	18.7
189.12767	3.2
189.16426	18.1
191.14206	3.4
191.18016	6.9
195.11673	4.3
197.13260	9.6
199.14861	9.6
201.12778	5.4
201.16393	35.9
203.14206	2.3
203.18048	9.0
207.17480	4.8
209.13257	4.5
211.14847	10.9
212.15572	5.1
213.16415	10.5
215.14357	4.1
215.17917	6.9
217.15985	5.5
219.17395	13.1
221.18979	6.8
223.14922	6.6
225.16502	7.5
225.74622	2.4
227.14427	3.0
227.17964	29.9
229.15778	2.6
231.13832	2.5
231.17496	7.4
233.19046	11.0
237.16438	2.8
239.15033	6.0
239.17847	2.9
240.15331	3.2
241.19711	5.3
243.17380	15.3
245.19043	24.6
251.18033	4.8
253.19469	4.6
255.21115	3.4
259.20575	3.3
261.18515	19.9
265.19476	13.6
269.19080	4.4
269.22531	2.8
283.20657	15.7
283.23352	2.5
297.22186	4.0
309.25854	6.0
311.24026	5.7
311.27420	9.4
313.25461	5.2
316.94354	3.0
325.25409	4.0
327.26831	31.9
335.26987	3.9
339.26859	2.7
361.29218	2.7
363.30859	3.0
365.28293	4.5
379.29742	3.7
403.33905	16.2
421.34784	91.3
422.34799	10.7
431.32639	3.3
439.22803	3.8
439.36154	100.0
440.36404	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38885	2.3
55.05511	14.5
57.07078	6.8
67.05511	30.9
69.07072	42.0
69.12398	20.5
71.05006	6.1
71.08632	3.3
79.05505	19.8
81.07063	64.5
83.04988	2.6
83.08636	12.3
85.06522	4.2
85.79041	2.5
85.94066	2.3
87.04496	3.3
89.06030	2.4
91.05478	18.9
93.07051	42.5
95.04955	2.4
95.08614	100.0
96.08985	3.3
97.06548	4.5
97.10209	6.2
98.23350	6.0
105.07032	36.1
107.08603	58.4
109.06548	5.0
109.10168	56.5
111.08087	5.1
111.11740	9.8
115.07613	3.9
117.07037	5.1
119.08588	62.2
121.06564	3.3
121.10149	59.0
123.08089	5.8
123.11694	29.9
129.07001	3.9
131.08578	18.6
133.10126	43.5
135.08052	3.2
135.11691	26.1
137.09647	8.0
137.13275	18.6
143.08592	10.4
144.09349	4.3
145.10118	24.0
147.11693	26.6
149.09648	5.0
149.13278	18.4
151.11172	3.4
151.14706	3.0
155.08545	5.9
156.09349	5.1
157.10115	18.6
158.10901	3.2
159.11710	35.7
161.09645	6.1
161.13301	20.1
163.14868	9.3
165.12781	8.4
169.10149	3.2
170.10910	3.0
171.11673	15.5
173.13263	25.8
174.13832	2.7
175.11278	4.5
175.14830	25.9
177.12819	5.4
177.16417	11.0
183.11656	5.8
184.12596	3.4
185.13231	11.9
187.14835	14.6
189.16399	15.3
191.14362	4.0
191.17947	28.7
193.15892	5.5
195.11792	2.7
197.13351	6.3
199.14825	16.9
200.15576	2.7
201.16440	11.3
203.14369	10.5
203.18068	11.3
205.16019	3.9
205.19586	7.4
207.17523	4.8
211.14882	6.3
213.16440	8.1
215.14153	3.0
215.17970	6.0
217.15929	5.7
217.19553	16.4
219.17509	11.7
221.15367	6.0
227.17923	3.4
229.15923	3.9
229.19542	7.3
231.17535	3.5
231.21223	4.6
233.15385	3.2
235.16949	50.0
241.19411	3.3
243.17703	4.2
243.20966	3.9
245.18974	3.0
245.22720	2.7
255.21150	4.4
257.19110	4.8
257.22720	2.5
261.18478	4.9
269.22659	5.3
271.24341	2.7
275.20108	5.9
285.22458	2.9
311.24023	3.2
311.27411	6.2
325.29007	7.6
331.92416	2.6
353.32147	7.0
363.30579	5.1
379.33926	3.4
403.33704	15.0
421.34741	38.8
422.35062	5.7
439.35785	94.6
440.36206	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.60360	2.0
53.03963	2.4
55.05509	9.4
57.07066	2.9
67.05511	14.6
69.07076	22.8
69.08621	21.1
71.05000	3.5
71.70345	1.9
79.05500	13.4
81.07063	33.7
83.08616	8.3
91.05486	12.4
93.07046	29.1
93.62885	2.6
94.07438	2.5
95.08609	62.9
96.11583	2.6
97.10181	2.7
102.08324	2.2
105.07037	24.1
107.08593	44.7
109.10154	44.3
111.08056	3.3
111.11731	5.8
117.07062	3.6
119.08582	54.2
121.10143	50.8
123.08079	3.9
123.11713	22.0
131.08601	11.2
133.10147	31.1
135.08035	5.2
135.11684	21.7
137.09616	4.0
137.13252	8.7
143.08594	8.6
145.10130	18.8
147.11707	20.3
149.09642	5.0
149.13264	15.9
155.08542	3.1
156.09267	2.6
157.10201	13.8
159.11720	26.4
161.09666	4.0
161.13249	15.9
163.14854	5.5
165.12779	7.4
169.10104	3.4
170.10873	3.1
171.11726	6.8
173.13264	16.1
175.14835	20.5
177.12787	3.6
177.16402	16.0
185.13304	6.3
187.14841	7.8
189.16434	14.2
191.17920	20.6
197.13321	4.9
199.14877	8.6
201.16431	11.2
203.14371	4.2
203.17982	10.4
205.15977	3.7
205.19455	5.2
211.14697	5.0
213.16469	6.4
215.14326	4.5
215.18051	7.9
215.53957	2.4
217.15811	13.3
217.19382	13.6
219.17519	7.7
225.16469	3.3
229.15851	2.4
229.19521	5.2
231.17516	5.5
233.15388	5.4
235.16943	33.4
243.17500	5.2
243.21065	6.7
249.18567	2.4
255.21210	3.0
257.22775	3.5
261.18604	3.9
275.19977	3.3
283.20361	2.7
289.21732	2.6
307.24197	3.6
311.26981	2.7
325.25455	3.3
341.28571	3.2
343.26129	3.1
353.32092	4.0
369.31516	5.2
403.33740	12.5
421.34692	31.6
422.34805	2.9
439.35727	100.0
440.36032	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03965	4.0
55.05511	21.4
55.05719	1.9
57.07088	8.9
59.05004	2.8
67.05508	26.9
68.99804	5.2
69.03445	2.7
69.07071	32.5
69.34074	4.3
69.34489	7.3
71.08659	1.9
79.05505	18.4
81.07064	71.3
83.08615	14.1
85.06563	4.1
89.06068	4.3
91.05485	20.4
93.07051	47.8
95.05042	4.5
95.08611	100.0
96.08987	3.0
97.06540	3.9
97.10172	9.6
103.05529	1.9
105.07032	54.6
107.08601	69.5
109.06553	6.4
109.10163	57.4
109.10890	2.7
111.08132	3.9
111.11769	5.6
117.07057	4.0
119.08586	69.0
121.06544	3.6
121.10150	70.5
122.10536	2.5
123.08143	5.7
123.11714	28.5
123.12532	2.0
127.07584	3.8
129.07039	3.4
131.08572	20.7
133.10136	93.6
134.10542	3.9
135.08067	4.1
135.11700	46.9
137.09715	2.7
137.13248	28.9
139.07619	5.3
139.11203	2.2
143.08667	5.2
144.09357	2.6
145.10143	35.5
147.08102	3.1
147.11688	79.2
148.12051	3.6
149.09666	5.7
149.13258	23.0
157.10144	15.7
159.11685	34.7
161.09724	5.1
161.13272	24.8
163.11189	10.9
163.14801	11.8
165.12875	5.3
169.10204	3.0
171.11694	10.8
173.09705	4.3
173.13289	21.1
174.13872	2.3
175.11264	4.1
175.14799	13.5
176.15207	2.1
177.16385	8.7
181.10220	1.9
183.11760	4.6
185.13286	8.7
187.14835	19.5
189.12831	3.7
189.16400	48.4
191.14374	4.0
191.17958	33.9
191.19513	2.6
197.13326	5.1
199.14842	13.1
201.12843	2.7
201.16402	25.8
201.18152	2.2
203.14442	4.6
203.17975	17.7
205.15988	4.0
205.19453	9.9
207.17508	8.8
211.14859	3.2
213.13162	2.2
213.16461	8.6
215.14366	8.6
215.17854	9.9
217.15822	11.2
217.19656	4.8
219.17574	3.9
221.15466	2.6
225.16367	2.8
227.18097	5.5
228.48259	2.1
229.19708	6.2
231.17596	7.4
231.21133	2.4
233.15356	17.7
233.19048	3.0
235.16931	3.6
239.18115	3.2
241.19716	4.9
243.17491	2.3
243.21257	5.4
247.17033	2.4
249.18544	11.7
253.19731	2.5
255.21284	5.4
259.17014	2.4
261.18845	1.8
267.21277	2.7
269.22681	2.7
271.21182	2.2
275.20148	2.8
281.22726	3.3
283.20670	2.0
285.22406	2.8
303.23367	5.5
313.25562	2.5
383.29639	2.5
395.33383	5.5
403.34100	3.6
409.34729	1.9
421.34952	25.4
422.35242	3.6
439.36041	96.0
440.36407	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05507	18.4
57.07071	7.3
58.56541	4.5
67.05496	20.5
69.07069	32.4
69.11588	36.5
70.39970	4.7
71.05001	38.0
76.07140	5.7
79.05476	10.0
81.07059	41.7
83.08620	8.4
91.05453	23.4
93.07057	39.8
95.08610	69.2
105.07032	35.8
107.08609	67.1
109.10149	47.9
115.07576	57.6
117.07056	5.9
119.08594	63.5
121.10142	36.7
123.11690	28.5
125.09618	5.0
127.11215	6.6
129.06975	6.8
131.08551	14.7
133.10153	42.2
135.10782	5.6
135.11703	28.1
137.13287	10.7
143.08588	11.6
145.10159	32.6
147.11723	34.0
149.09641	6.5
149.13260	19.6
157.10164	15.8
159.11726	41.9
161.13251	24.8
163.14825	8.4
170.49228	5.5
171.11705	10.8
172.12509	5.5
173.13263	21.5
175.14806	23.7
177.16425	5.6
182.10907	5.5
183.11737	8.4
185.13240	15.7
187.14818	31.5
189.16417	21.1
191.14317	6.3
191.17958	10.1
195.11862	5.3
197.13290	8.8
199.14841	16.2
201.14828	6.5
201.16402	34.2
203.18001	25.6
209.13397	5.6
211.14807	8.7
213.16399	9.2
215.14186	5.3
215.17909	9.8
217.15858	10.3
217.19521	11.3
225.16444	5.2
227.17885	6.2
231.21165	6.3
239.17929	6.3
253.19470	11.6
295.24268	12.1
297.25803	33.2
304.10364	5.6
396.29758	6.2
411.32437	9.9
421.34622	22.1
439.36108	100.0
440.36191	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05501	10.0
57.07063	4.7
57.83300	1.9
65.03960	2.4
67.05506	27.5
69.07076	18.9
69.23259	10.5
69.23665	5.9
79.05485	16.5
81.07060	51.4
83.04981	2.9
83.08616	10.2
91.05473	16.7
93.07042	37.2
95.05014	4.0
95.08607	73.0
97.06577	4.9
97.10178	4.6
99.62021	2.0
105.07032	37.9
107.08595	54.3
107.09283	3.9
109.06509	3.8
109.10151	53.3
109.37062	2.1
110.80114	2.2
111.08108	9.8
111.11758	2.6
117.07018	5.7
119.08588	38.5
121.10143	48.8
123.08064	10.2
123.11703	24.9
129.07018	2.9
131.08549	11.1
133.10132	37.9
135.08054	4.6
135.11694	36.4
137.06024	2.1
137.09636	7.8
137.13274	8.2
143.08580	7.0
145.10127	19.2
147.11694	32.4
149.09656	4.6
149.13222	25.8
151.07635	2.2
151.11246	5.3
151.14828	3.1
157.10141	9.1
159.11723	22.9
161.09708	4.3
161.13237	24.4
162.13631	2.7
163.11270	3.4
163.14819	16.1
167.10699	2.3
169.10136	3.5
171.11710	6.1
173.13269	13.9
175.11285	3.7
175.14862	20.6
176.08685	2.3
177.12741	3.6
177.16359	10.2
183.11760	3.1
185.13324	5.9
187.14807	10.2
189.12720	4.0
189.16394	19.8
191.14366	7.1
191.17958	16.4
199.14830	7.6
201.16319	10.0
203.14325	4.8
203.17972	32.0
205.15932	3.3
209.15363	3.6
213.16499	6.4
215.14427	2.7
215.18010	6.8
217.15964	7.9
217.19540	22.8
219.17496	6.3
219.21194	2.7
221.15436	4.1
225.16550	2.5
227.17970	8.1
229.19579	7.1
231.17534	3.7
231.21010	12.4
233.15399	2.2
235.16833	5.0
243.17438	2.9
243.21190	3.9
245.22589	10.4
253.19579	3.6
257.22714	5.9
262.03802	2.7
269.22623	5.3
271.24405	4.1
297.25812	3.1
343.26440	3.0
403.33612	11.0
409.35046	4.1
421.34683	33.9
422.35538	4.0
439.35797	100.0
440.36066	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03938	2.3
55.05514	13.4
57.07063	3.3
57.79713	1.9
63.54086	1.6
65.03936	2.7
67.05506	32.4
69.07069	18.6
71.05004	3.1
71.08629	2.2
73.76365	1.5
79.05495	22.8
81.06579	3.4
81.07060	71.7
83.05005	3.0
83.08630	9.3
88.21716	1.8
91.05477	25.1
93.07050	53.8
95.04969	3.6
95.08608	100.0
96.08932	3.3
97.06523	5.4
97.10173	5.7
99.08083	4.6
104.13448	1.7
105.07034	60.7
105.07742	3.0
106.07375	3.3
107.08598	73.4
108.08929	3.3
109.06522	19.2
109.10158	56.6
111.08061	14.4
117.07017	10.8
119.08591	63.6
121.10154	52.7
122.10523	2.5
123.08106	5.7
123.11707	23.0
125.09662	5.1
129.07010	4.1
130.07825	2.1
131.08557	33.2
133.10132	47.1
133.11052	3.2
135.08035	2.5
135.11693	32.9
135.58826	1.7
137.09645	4.9
137.13266	4.8
142.07768	3.8
143.08572	11.2
144.09375	2.8
145.10127	56.1
147.11688	43.8
149.13260	26.8
151.11211	6.2
155.08582	1.7
156.09351	3.6
157.10144	14.6
158.10941	3.3
159.11696	46.6
160.12117	2.0
161.13251	30.4
163.11221	3.0
163.14816	20.1
165.12802	3.6
169.10150	5.4
171.11693	15.1
173.13280	30.9
175.11328	2.6
175.14842	26.1
177.12836	3.6
177.16420	13.9
179.14232	2.5
183.11769	4.3
185.13353	9.3
187.14824	26.9
189.16383	24.9
191.14392	4.1
191.17986	6.2
193.15953	7.7
197.13248	4.8
199.14825	15.8
201.16406	36.1
203.14407	3.7
203.17935	18.0
205.15953	8.6
205.19615	2.5
207.17471	7.3
211.14848	4.1
213.16364	12.5
215.14438	2.3
215.17963	25.3
217.15979	6.1
217.19531	7.2
219.17461	16.6
221.19061	4.2
225.16451	3.6
227.17986	9.0
228.92809	1.7
229.19598	7.1
231.17516	8.9
233.18968	11.7
239.18040	5.1
241.19560	2.7
243.21184	2.1
245.19026	2.5
247.20483	4.0
253.19643	4.1
255.21127	5.5
259.20639	2.4
265.08456	1.7
267.21228	5.4
269.22693	4.2
271.20639	3.1
281.22806	3.4
283.24506	2.7
285.22171	4.1
287.23596	2.6
295.24271	2.6
295.68469	1.8
309.25833	2.5
313.25208	2.4
327.26941	3.6
347.26031	3.6
351.26974	2.3
359.21017	1.8
363.30563	5.1
381.31668	7.9
391.33640	3.1
403.33817	6.7
409.34500	8.9
421.30344	1.4
421.34692	52.2
422.35300	4.5
439.35825	66.5
440.36023	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	439.3571
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05505	13.4
57.07057	4.5
57.72503	4.4
67.05524	23.9
69.07067	18.8
79.05497	23.5
81.07059	53.2
82.82156	4.6
83.08582	7.4
91.05482	20.3
93.07044	38.7
95.04968	6.1
95.08604	83.7
97.06550	6.4
105.07021	37.8
107.08604	66.3
109.06541	6.0
109.10154	68.9
111.08080	12.4
111.14902	4.4
117.07052	6.7
119.08587	70.7
121.10150	65.3
123.08063	9.4
123.11679	13.9
125.09608	5.6
128.90291	3.9
131.08588	21.1
133.10139	100.0
134.10477	4.6
134.58221	4.0
135.08025	7.4
135.11719	28.6
137.09558	8.2
143.08586	6.0
145.10136	34.6
147.11684	33.2
149.09601	7.1
149.13281	17.7
157.10115	13.4
159.11696	56.1
160.11949	4.6
161.13246	36.0
163.11116	4.8
163.14816	9.9
165.12767	4.9
171.11642	11.2
173.13306	28.1
175.14833	30.6
184.15793	4.9
185.13187	10.1
187.14798	24.6
189.16370	20.2
190.64986	5.0
191.18036	9.3
197.13315	5.1
199.14810	6.9
201.16377	39.2
203.17940	13.1
205.15909	5.4
213.16383	9.8
214.26468	4.7
215.18015	26.3
217.19620	8.2
219.17413	9.7
225.16339	7.9
227.18008	5.9
229.19388	12.5
241.19403	6.3
293.49954	5.2
297.60846	5.2
309.19147	4.4
309.23428	4.6
391.33487	4.9
399.35382	4.5
403.33591	9.2
421.34579	35.0
439.30231	8.1
439.35773	86.5
440.36273	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	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.07091	4.3
60.92337	1.6
67.05505	16.3
69.07065	22.2
70.33797	5.9
70.78135	1.9
77.81093	1.6
79.05525	8.2
81.07064	27.9
83.08626	9.6
89.06062	2.5
91.05036	2.2
91.05536	8.1
93.07048	21.1
93.07516	1.6
95.00212	2.0
95.08607	50.5
96.08945	2.0
97.10218	3.5
105.07033	20.4
105.07648	1.9
107.08601	36.3
107.09261	2.5
109.06587	2.2
109.10159	33.1
111.08144	3.9
111.11790	4.9
117.07062	3.1
119.08586	28.5
121.10149	45.3
122.10606	1.8
123.08124	4.9
123.11707	27.0
123.12523	1.8
125.09655	2.1
131.08553	8.6
133.10136	24.9
135.08119	5.3
135.11700	21.7
136.90227	1.8
137.09651	4.4
137.13243	16.2
143.08636	3.7
145.10161	17.0
146.10501	2.8
147.08075	1.7
147.11694	20.3
148.12070	1.8
149.09709	6.5
149.13255	13.6
151.14870	3.8
157.10246	6.1
159.11688	16.2
161.09729	2.0
161.13258	14.0
163.11240	4.1
163.14932	7.0
165.12775	10.8
169.10211	3.5
171.11815	7.3
173.13354	9.7
175.11311	4.0
175.14848	13.8
177.12822	2.6
177.16406	27.1
183.11732	2.6
185.13420	6.3
187.11261	3.1
187.14882	10.3
189.12856	2.3
189.16426	15.7
191.14375	2.4
191.18086	7.9
197.13373	6.6
198.35208	1.7
199.14963	5.4
201.16405	15.1
203.18076	6.0
205.15958	3.4
205.19707	5.0
207.17543	2.8
209.13295	2.7
211.14923	3.1
213.16507	4.7
213.70403	2.0
215.14359	2.2
215.17961	4.4
217.15923	4.0
217.19600	2.5
219.14249	3.0
219.17448	71.5
220.17813	4.0
221.15492	2.1
227.17979	2.2
229.15872	1.9
229.19708	5.2
231.17603	3.3
231.21094	2.8
233.15475	4.3
233.18919	8.7
235.17152	3.0
237.16516	2.7
241.19618	3.7
243.17690	2.5
243.21178	4.9
245.19061	2.0
246.07347	1.7
247.17149	2.9
249.18828	2.5
255.21204	4.2
257.22894	2.1
269.22791	2.6
271.20575	1.9
283.20734	3.8
297.22308	2.2
297.25723	2.0
301.21625	2.9
309.25751	2.0
323.27725	2.3
335.27524	8.0
343.26477	2.6
393.35339	2.1
403.33899	3.4
421.34961	19.8
422.35590	2.6
439.14563	2.2
439.35977	100.0
440.36511	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	440.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55215	0.5
53.03946	0.9
53.91729	0.4
61.66570	0.4
67.05490	0.8
69.92670	1.7
71.04994	0.5
78.04695	2.6
79.05120	0.5
79.05499	4.5
79.87128	0.4
81.07026	1.2
91.05448	2.4
93.07030	1.1
95.04971	1.0
95.08591	0.9
98.22679	0.8
103.05468	3.9
105.07024	4.7
106.04169	1.3
107.04960	7.0
107.08655	0.5
109.06528	1.2
111.08040	0.6
115.05444	1.6
116.85897	0.4
117.07008	1.6
119.08593	0.6
121.06496	1.7
123.04428	6.3
124.05198	2.7
129.07007	0.9
131.04922	6.7
131.08658	0.6
133.06474	4.5
135.08070	1.4
137.05957	2.4
141.06917	0.5
144.05769	0.6
145.06479	2.6
145.10097	0.7
147.04399	1.4
147.11655	0.9
149.06006	0.6
151.03897	1.5
151.07544	3.5
152.04671	2.2
158.07266	1.2
159.08038	1.5
160.05212	0.5
161.05988	5.5
163.07538	11.3
164.07877	0.6
167.07033	100.0
168.07330	3.2
173.05916	0.9
173.09599	1.1
175.07562	2.5
177.09091	2.4
179.07092	3.2
181.08568	4.7
187.07500	2.9
192.07762	0.9
193.08597	15.7
193.12221	0.6
195.10168	0.9
201.09151	1.5
205.08554	1.4
206.67975	0.5
207.10110	0.8
217.08536	0.7
219.10175	2.1
231.07904	0.6
233.11655	3.7
237.11232	2.2
251.12894	0.9
263.10617	0.8
291.10117	0.6
295.13037	0.5
323.12781	2.3
355.15353	8.7
387.18015	4.4
397.18134	1.4
405.19022	5.3
440.23672	3.6
441.17252	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01520	1.5
51.66542	1.8
51.83491	1.7
52.18881	1.7
53.03946	3.6
53.25381	1.5
55.01867	5.8
55.05515	9.8
57.03440	15.6
57.07059	1.8
60.00067	1.5
61.02939	12.3
67.05487	5.5
69.03080	2.8
69.03431	37.6
69.07069	49.4
69.18317	13.9
70.07400	1.9
71.01369	2.2
73.02504	3.7
73.02917	71.3
76.26648	1.6
79.05483	4.5
81.03410	7.4
81.07045	5.4
83.08607	2.4
85.02906	100.0
86.09721	2.3
87.04462	4.0
90.26302	1.8
91.03977	3.4
91.05450	4.4
93.07036	7.3
94.07408	2.3
95.08599	13.8
96.08939	4.1
97.02889	55.8
97.06564	2.2
98.03215	2.6
99.04422	3.6
103.03929	3.9
105.07027	7.3
107.08585	7.0
109.02886	9.4
109.10148	3.1
111.11716	24.9
115.03922	29.1
119.08555	7.6
121.10128	5.3
125.20274	1.6
127.03927	28.0
129.12741	2.8
129.55867	1.8
131.08502	2.6
133.04971	32.7
133.10193	4.3
134.10431	2.1
135.11699	2.7
145.04955	35.9
145.10118	4.0
150.07570	3.4
157.10185	2.1
159.11664	3.3
161.13341	2.3
163.06009	15.9
175.14865	2.4
184.07332	3.6
187.14790	4.8
188.15146	2.6
199.36760	1.8
203.14314	5.2
204.14653	2.3
205.15973	1.9
207.13647	2.4
223.06036	5.6
241.07082	9.6
259.08099	9.3
397.36935	2.0
404.30069	2.3
420.71939	1.9
421.89111	2.0
422.31442	5.6
440.23596	9.8
440.32437	11.1
441.24628	4.1
441.33658	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	440.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.3
55.01872	7.8
55.05503	6.9
57.03445	18.2
59.04998	2.9
60.40778	2.2
61.02936	16.6
62.94754	2.2
67.05496	3.3
67.43537	2.4
69.03432	40.6
69.07069	72.9
69.52586	6.3
69.52991	4.9
71.01348	4.0
71.05000	5.8
73.02918	86.9
76.33886	2.5
79.05501	4.8
81.03414	10.5
81.07055	5.9
83.08619	3.7
85.02905	100.0
85.06540	4.7
86.03270	2.9
87.04441	5.0
91.03936	4.1
91.05495	4.1
93.07054	8.3
94.31336	2.6
95.08601	5.7
97.02886	61.8
98.23379	2.3
99.04468	5.2
99.08124	2.7
103.03919	4.6
105.07034	8.0
107.08609	8.7
109.02887	10.4
109.10146	3.6
110.07191	3.1
111.04417	2.5
111.08098	9.8
111.11720	27.1
115.03929	25.3
119.08594	7.3
121.10140	6.7
123.08062	3.8
125.09668	2.9
127.03919	28.3
127.11192	3.3
129.12766	49.1
131.08517	2.8
133.04945	32.2
133.10101	6.3
137.09583	5.1
139.03915	2.6
139.11172	2.9
141.12755	19.6
145.04976	31.2
145.10190	3.7
147.11679	3.8
150.07648	2.6
155.10686	3.7
159.11719	2.6
163.06018	8.6
163.11166	3.0
169.12224	3.4
187.14871	3.6
189.12845	3.1
189.16310	2.7
193.04980	4.7
195.13861	6.5
197.11736	4.0
207.13611	3.2
219.13857	6.3
223.05927	4.5
225.14969	2.5
237.14841	5.4
241.07129	6.9
255.15947	5.7
259.08139	6.0
273.16971	10.2
291.18073	19.6
318.79337	2.7
397.18423	4.6
440.17819	4.8
440.23413	52.8
440.32483	4.0
441.17035	13.1
441.24213	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	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42077	1.4
55.05502	1.6
57.07077	26.8
59.04999	1.3
69.07079	2.2
71.08636	24.3
73.06555	6.0
81.07043	2.4
83.08631	4.3
85.10182	27.5
87.04471	1.9
89.06033	100.0
93.07043	1.8
95.08627	2.3
99.11727	2.4
107.07092	3.6
107.08548	2.2
109.10135	2.0
116.84749	1.3
117.09130	2.6
119.08594	1.6
121.10142	1.4
133.08598	42.8
134.98106	1.4
141.16371	4.1
144.05325	1.5
159.11661	1.5
177.11226	15.0
181.11885	1.3
185.19055	3.5
188.00513	1.3
195.12292	1.9
203.77583	1.1
229.21675	10.3
239.14903	1.8
273.24332	2.6
283.17551	11.3
306.28302	1.6
347.00696	1.2
423.33267	15.9
424.33875	1.4
433.70636	1.3
440.31744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84502	1.8
53.03930	2.8
55.05512	19.6
57.07072	13.5
67.05506	27.5
68.05816	2.4
68.84282	1.9
69.07069	44.5
69.50955	2.1
69.74161	2.0
70.07375	3.5
71.04967	3.0
71.08575	2.0
79.05491	17.0
81.07057	69.8
82.07355	7.9
83.08617	17.5
84.15010	1.9
86.06039	3.7
91.05489	17.6
93.07043	38.9
94.07338	5.8
95.04978	3.4
95.08606	100.0
96.08938	13.2
97.06503	4.8
97.10118	8.9
98.23460	4.0
99.08073	3.2
100.07623	11.3
105.07024	27.6
106.07346	4.4
107.07873	3.5
107.08588	67.8
107.61692	2.2
108.08909	13.1
109.06488	6.0
109.10156	65.9
110.10493	9.7
111.08025	2.7
111.11642	8.4
114.09118	5.6
117.06969	4.3
119.08575	41.0
120.08856	7.6
121.06472	3.1
121.09332	2.5
121.10143	46.8
122.10518	10.0
123.08046	2.7
123.11703	52.3
124.12022	16.9
125.09586	3.2
129.06866	2.6
131.08571	15.0
132.08833	4.2
133.09236	3.2
133.10129	44.8
134.10474	10.0
135.07994	4.4
135.11679	28.7
136.12041	11.0
137.09612	3.9
137.13268	18.2
138.13579	2.2
138.30249	2.1
142.12263	3.3
143.08441	4.5
145.09221	2.0
145.10110	23.7
146.10362	7.7
147.07959	4.0
147.11685	26.5
148.11961	6.9
149.09573	4.5
149.13287	17.7
150.13533	5.7
151.11157	3.5
151.14726	4.4
157.10036	6.9
158.10464	3.5
159.08102	2.0
159.11711	24.4
160.11932	9.6
161.09573	11.6
161.13232	18.1
162.13490	5.4
163.11105	6.2
163.14789	15.5
164.15102	4.9
171.11710	11.6
172.12149	3.3
173.13249	17.5
174.13535	7.3
175.11029	3.4
175.14803	15.0
176.15028	4.0
177.12659	4.8
177.16339	10.5
178.16559	2.4
185.13124	6.6
186.14066	11.7
187.14732	21.7
188.15202	13.4
189.12653	4.4
189.16362	15.4
190.16614	6.6
191.14259	3.9
191.17972	10.3
199.14705	8.8
200.15053	8.5
201.16405	34.2
202.16716	13.2
203.14218	6.3
203.17862	7.2
204.18047	4.0
205.15753	4.8
205.19354	6.7
207.17314	3.4
209.15201	3.9
210.15646	2.4
213.16252	5.4
214.16782	6.1
215.14384	2.5
215.17938	12.5
216.18156	6.2
217.15860	2.4
217.19531	17.8
219.17331	6.0
222.18613	2.2
227.17883	5.7
228.18167	6.5
229.19485	21.4
230.19858	23.1
231.17281	6.7
231.20909	7.4
232.21045	2.1
237.14812	4.6
242.19743	4.4
243.21005	4.6
244.21407	6.0
245.22540	4.4
248.20015	5.2
257.22382	5.4
270.22794	3.2
271.24124	4.1
272.24460	5.9
285.25723	2.8
304.23462	3.5
314.35541	2.4
326.28979	2.3
381.31525	13.0
398.31027	3.8
404.33780	2.7
410.34613	6.3
421.89584	2.6
422.34970	19.4
423.35690	8.8
440.35745	90.1
441.33072	7.9
441.37674	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	15.7
66.88936	0.8
69.54829	3.2
84.96038	9.1
98.22656	1.3
98.91941	2.0
98.97584	100.0
99.97890	1.0
110.97569	36.3
112.99172	1.0
116.98624	27.9
124.68338	0.8
124.99129	3.5
127.00744	1.5
128.98607	23.6
131.00165	1.1
134.99687	4.8
140.98592	9.0
143.00150	12.8
144.98094	1.4
146.99651	6.7
152.98567	5.6
155.00131	1.0
158.99651	36.5
161.01228	9.7
170.99657	27.3
171.01158	0.9
171.99997	1.1
173.01265	2.0
176.99161	0.8
177.00693	24.8
179.02284	1.1
180.97493	1.0
182.99651	20.2
185.01262	1.2
189.00713	23.1
195.01770	1.8
200.02475	1.1
201.00705	48.0
207.01819	3.6
213.00725	4.4
219.01761	40.8
224.02295	1.1
231.01761	5.8
233.03569	0.8
237.02814	14.7
240.45102	0.8
242.03418	1.0
243.01755	22.3
243.04106	1.3
249.02873	0.9
255.03857	1.0
261.02829	83.6
262.03198	2.2
273.02808	6.5
279.03876	54.1
280.04089	1.7
291.03873	16.8
297.05008	2.2
302.05396	1.5
307.09122	1.4
309.04846	1.4
321.04922	36.2
321.08701	1.7
322.05377	1.1
333.05060	3.5
351.05902	6.8
381.07062	3.2
397.11163	2.0
399.08057	3.5
441.09320	19.5
442.09543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.0
70.57478	1.1
70.57792	0.5
88.78604	0.7
98.97565	2.0
127.00034	1.1
158.99699	0.8
167.03246	0.8
169.04794	0.8
177.01634	2.4
185.04184	0.8
192.03937	23.1
193.04723	10.9
219.01727	0.6
227.05257	2.1
249.43877	0.6
271.04276	4.3
279.04169	0.7
355.10052	5.7
360.64139	0.7
367.09857	0.8
379.10059	0.9
381.04901	0.9
381.73587	0.7
397.11063	44.8
398.11395	3.4
409.07550	0.8
441.10031	100.0
442.10419	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	441.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38549	1.2
50.44349	1.3
53.03934	2.2
55.01875	3.4
55.05479	1.9
57.03437	2.8
57.07059	1.1
59.04992	3.4
61.02920	1.4
67.05508	2.3
68.99786	1.5
69.03427	7.1
69.07066	12.3
70.06591	3.2
71.04993	2.2
72.08160	8.1
73.02914	3.1
79.05486	1.8
81.03411	5.6
81.07052	3.3
83.05017	1.5
85.02913	13.2
86.09711	18.4
87.00829	4.8
87.05530	1.5
91.05472	3.0
93.07045	4.9
94.07378	1.3
95.04967	4.7
97.02892	5.3
99.04437	2.1
105.01856	1.7
105.03384	2.1
105.07034	4.5
107.04946	1.6
107.08589	1.8
109.02891	6.3
110.06039	2.6
111.11720	3.4
114.42401	1.2
116.07104	4.7
119.08571	1.7
120.08091	2.7
121.06477	2.0
121.10179	2.2
122.03632	1.6
123.04433	1.4
124.07640	2.3
125.08349	1.6
126.09110	1.7
127.03899	7.4
129.12729	5.4
131.08514	1.6
133.02853	17.1
137.05989	7.2
138.09157	4.2
141.10225	4.6
141.90472	1.2
145.04968	1.7
145.10107	1.9
151.07529	1.6
154.08742	1.7
155.11800	4.9
159.02917	2.2
161.02431	1.4
162.03032	1.8
163.11090	1.4
164.09088	1.5
165.05487	2.8
177.05519	1.8
178.02586	12.9
183.11243	3.5
186.27083	1.3
187.11267	1.3
189.01862	4.5
191.10683	1.6
193.04968	100.0
194.05305	4.6
200.13954	14.6
207.02888	4.1
215.13876	3.6
228.13419	8.4
243.11041	1.2
244.09679	1.8
261.12610	1.9
279.13379	7.7
279.16653	1.5
284.28464	1.4
327.20300	4.0
360.27112	1.3
411.09521	1.2
441.16748	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	441.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	3.3
70.06594	6.4
70.09895	2.9
72.08121	2.4
84.04494	7.6
85.02943	1.7
85.04803	1.7
86.09711	4.7
91.05506	2.4
98.97590	5.3
101.07140	4.4
105.07034	3.3
110.97596	2.7
112.03956	2.0
113.09650	5.6
115.05434	1.5
128.21046	1.4
133.06520	3.3
137.06013	1.7
143.00128	1.4
157.01921	1.4
161.05966	5.6
167.08191	2.7
178.02658	1.6
193.05019	13.0
193.08670	2.3
195.07567	2.1
212.10313	4.9
213.10620	3.3
219.01784	1.6
237.02844	2.7
324.13937	2.3
327.07535	5.7
341.14667	3.5
342.14960	6.0
441.11517	100.0
441.16272	3.7
441.21188	4.1
442.11838	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	441.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.2
56.96566	18.0
61.28534	4.3
62.01753	4.4
66.12537	4.4
67.05502	23.1
69.03420	4.8
69.07070	13.5
71.04994	6.1
71.30647	7.0
71.59885	4.1
79.05486	12.2
81.07060	38.7
82.42793	5.0
83.04954	5.1
83.08607	7.5
84.03740	4.4
84.96048	9.5
85.06550	5.1
86.06066	8.0
91.05496	15.6
91.78312	4.0
93.07042	20.3
95.04922	4.9
95.08611	44.6
97.10233	4.6
98.09652	5.2
98.97581	100.0
98.98185	7.6
102.52084	4.4
105.07018	24.5
107.08617	29.7
109.10152	24.9
110.97575	13.9
112.99156	13.5
116.10747	15.4
116.98610	39.7
117.11001	4.5
119.08598	22.2
121.06506	6.1
121.10146	22.7
123.11720	7.7
124.95531	6.1
125.09622	5.6
128.98563	10.8
131.00185	19.5
131.08571	9.0
133.10147	11.1
134.99660	9.2
135.11670	12.5
137.09685	8.0
140.98592	4.8
143.08670	5.0
145.10164	13.1
146.99707	4.7
147.11719	13.6
149.01242	7.9
155.08623	5.7
158.99655	34.1
159.11688	12.2
161.01195	5.9
161.09586	5.2
161.13277	7.6
165.09129	31.6
167.07008	6.4
171.11671	6.3
173.01237	20.0
173.09644	5.0
173.13226	6.5
177.00671	24.4
177.12773	5.3
179.28616	4.8
183.11824	5.5
187.14856	8.2
191.02309	8.8
191.10765	5.0
191.17856	5.0
201.00731	5.8
202.98865	4.1
203.10591	4.6
214.18088	19.8
215.18402	9.1
219.01808	20.3
223.18512	5.0
237.02820	20.9
244.99785	4.9
253.11441	4.6
342.22940	6.8
355.14267	37.0
373.15256	43.5
385.31326	6.4
397.15558	16.9
440.30093	7.6
441.15329	38.0
441.24402	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	441.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	5.0
55.95045	3.0
56.96579	19.8
67.05496	10.2
69.03882	3.1
69.07073	9.4
69.89187	10.6
71.04989	3.5
79.05489	9.7
81.07052	27.6
84.96042	12.3
86.06059	5.7
91.05508	5.2
93.07047	13.2
95.08614	22.7
98.96938	6.2
98.97588	100.0
105.07063	7.5
107.08601	12.1
109.10167	14.4
110.97591	9.9
112.99160	14.0
116.10721	10.2
116.98612	34.6
119.08599	13.4
121.10188	7.1
121.34346	3.6
123.08067	4.1
125.09699	7.9
128.98648	7.7
129.07062	3.5
131.00172	14.3
133.10121	8.2
134.99670	5.8
135.11720	6.7
137.09586	5.0
144.98119	4.7
145.10194	5.7
147.11705	5.0
149.01204	5.0
149.13214	4.0
155.08644	4.5
158.99684	26.2
159.11739	5.3
161.13277	4.6
162.99121	3.9
165.09129	12.6
167.07010	5.6
170.99747	4.1
173.01248	19.2
177.00717	20.0
177.09070	4.9
189.00648	3.8
191.02296	13.9
201.00755	8.5
201.16545	4.9
202.98703	5.3
214.17981	16.9
219.01797	13.5
237.02838	14.8
244.99719	10.4
253.11156	4.2
303.01013	4.7
308.27371	4.5
343.23123	4.4
344.24426	6.0
355.14243	34.1
373.15372	39.2
397.15341	21.8
411.90244	3.5
415.16669	5.8
437.02023	3.8
441.15228	41.7
441.24350	17.8
441.34253	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
61.72061	0.3
66.36047	0.2
67.05505	0.3
69.03456	0.3
69.35532	0.5
69.35934	1.2
70.06592	1.5
72.08161	0.4
83.01142	0.6
85.02911	0.6
86.09706	1.0
95.01098	1.2
95.08582	0.3
96.01879	0.7
97.02882	0.6
110.07191	0.4
112.01350	0.6
113.02136	1.8
126.02906	0.4
127.03966	0.3
137.05954	0.5
145.04953	0.3
157.04724	0.4
167.03207	0.5
183.71353	0.3
185.04221	2.8
193.05000	0.6
201.03703	0.9
202.04605	0.4
203.05254	0.6
204.07584	2.9
217.80464	0.3
250.31296	0.3
259.08032	0.7
279.12167	1.0
317.90860	0.3
354.12021	0.3
415.32166	0.3
426.14938	0.3
441.17331	100.0
442.17700	8.2
442.26544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27576	0.5
53.03953	0.8
55.01879	2.9
55.05509	1.2
57.03434	0.5
59.52855	0.5
62.54132	0.6
63.05818	0.5
65.03905	0.4
67.05505	3.1
69.03425	1.5
69.07064	1.9
70.06591	1.3
71.04984	1.7
71.30710	0.6
72.08155	1.0
79.05486	3.2
81.03409	2.7
81.07061	6.6
83.01334	0.6
83.04987	2.8
83.08628	0.8
85.02892	1.8
85.06538	1.2
86.09708	2.3
91.05485	3.5
93.07045	6.8
95.04972	2.9
95.08604	3.0
97.02895	0.9
97.06549	2.6
99.04462	1.5
105.07029	6.4
107.04945	0.7
107.08601	4.8
109.02888	1.6
109.06523	2.6
109.10142	2.0
111.00815	2.0
111.08073	2.7
115.03930	0.7
117.07027	0.6
119.04978	0.6
119.08595	4.5
121.06483	3.1
121.10138	1.8
123.08085	1.9
123.11668	1.2
123.22219	0.5
124.75174	0.5
125.05989	0.8
125.09623	0.7
125.73866	0.5
127.00045	0.5
127.03937	1.9
129.06976	0.7
131.08554	1.3
133.06496	0.7
133.10136	3.9
135.08075	2.0
135.11708	0.9
135.36957	0.5
137.05972	2.0
137.09631	1.1
139.07553	1.5
140.10703	0.6
143.03381	0.9
143.08566	1.0
145.10109	1.5
147.11702	5.9
149.09631	0.8
149.13295	0.4
151.11166	1.1
157.10132	2.2
159.11702	0.9
161.09647	0.7
161.13290	0.8
163.07417	0.5
163.11203	0.7
165.12794	3.6
167.03139	0.5
167.17886	0.6
169.12270	1.4
171.02861	1.4
171.11630	1.1
175.11180	5.4
175.14836	0.7
183.11678	0.7
185.04286	0.7
185.16551	0.6
187.07532	0.6
189.12743	2.5
193.12204	8.4
193.15782	0.6
199.11162	1.3
207.13821	0.9
211.13257	2.5
213.16217	0.9
217.12326	3.5
218.12535	0.7
227.05269	1.0
229.15610	0.6
231.05008	0.8
235.13266	2.1
243.04800	1.1
245.06375	0.8
253.14352	1.3
261.20425	0.5
271.04199	0.6
283.10797	1.9
287.03708	2.1
289.05310	2.5
301.11734	0.9
311.53967	0.6
319.12854	1.5
355.17258	5.4
356.16965	0.5
379.17331	3.0
397.18335	32.9
398.18680	2.8
406.75937	0.5
423.16263	9.0
441.17255	100.0
442.17615	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	441.1736
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
50.19178	0.7
50.31796	0.6
54.00760	0.6
55.01877	3.8
55.05502	1.6
67.05493	2.4
69.03444	0.8
69.07075	2.8
70.06592	2.0
70.53123	1.6
71.04973	1.4
72.08164	0.6
79.05500	3.4
81.07062	6.0
83.04969	2.1
83.08612	1.5
85.02924	0.6
85.06550	1.1
86.09709	2.2
91.05473	2.5
93.07042	7.3
95.01363	0.6
95.04982	3.2
95.08613	4.6
97.02915	0.7
97.06535	3.9
98.22622	0.6
99.04464	1.6
105.07031	7.3
107.08600	5.8
109.06519	2.6
109.10147	1.4
111.00768	2.1
111.08061	1.7
113.40710	0.6
117.06982	0.8
119.08595	4.9
120.08079	1.5
121.06524	4.1
121.10139	2.3
123.08027	1.4
123.11719	1.6
129.01825	1.0
131.08568	1.4
133.06529	0.7
133.10130	4.9
135.08072	3.7
137.09586	0.8
139.07533	3.2
142.07787	1.0
143.08592	0.7
145.10103	1.9
147.08070	0.9
147.11685	6.1
149.13286	1.6
151.11218	0.8
157.08536	0.6
157.10103	1.7
161.05901	0.7
161.13272	1.4
165.09126	3.3
165.12761	4.0
167.06996	2.3
168.07397	0.9
169.12227	0.8
171.02924	1.6
171.11604	0.9
173.13339	0.9
175.11180	5.2
189.12738	2.1
193.12192	9.8
194.09048	0.7
201.16415	0.9
207.13841	0.9
211.13220	3.8
217.12291	4.9
218.12544	0.8
227.05186	0.9
235.13277	3.3
243.04703	0.8
245.06189	0.9
253.14330	1.8
271.04266	1.4
287.03741	0.9
289.05249	1.2
329.07770	1.2
337.16312	1.0
355.17355	6.9
379.17349	3.1
397.18350	43.1
398.18866	2.8
423.16205	11.6
441.17215	100.0
442.17511	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	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
55.01885	0.5
55.05517	0.4
55.09724	0.3
60.44609	0.3
67.05505	0.8
68.39864	0.4
69.07052	0.6
69.48014	1.8
69.48426	0.7
70.06596	1.9
70.53128	0.4
71.05002	0.5
72.08133	0.3
77.98105	0.4
79.05511	0.9
81.03419	3.4
81.07059	0.6
86.09708	1.4
91.05470	1.0
93.07040	1.1
95.08590	1.0
98.22708	0.5
105.07037	1.2
107.08608	1.2
109.10142	0.5
111.08056	0.5
114.09171	0.5
119.08617	0.7
120.08084	0.9
121.10142	1.0
127.03902	0.6
129.07018	0.6
131.08484	0.6
131.47134	0.4
133.10138	0.8
137.06027	2.4
157.06522	0.8
157.10127	0.7
159.11662	0.4
161.09717	0.4
165.09132	0.6
173.06215	0.4
175.07611	0.6
179.35815	0.4
180.57367	0.3
185.04115	0.5
187.14856	0.6
193.12041	1.5
199.07486	0.5
201.16205	0.4
217.08620	1.5
227.05159	0.6
243.04762	0.6
245.06364	1.0
287.03738	1.7
288.54688	0.4
289.05252	1.6
309.13083	1.7
315.08340	0.4
337.16281	0.5
355.17331	3.8
379.17267	2.2
397.18350	29.4
398.18793	2.0
423.16293	7.3
423.32388	0.4
424.16663	0.6
441.17261	100.0
442.17615	8.5
450.27533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01872	0.6
55.05522	0.5
55.88473	0.3
65.03910	0.3
67.05503	1.0
69.03426	0.7
69.07050	0.6
70.06577	0.5
71.30797	0.5
73.02898	0.4
77.03934	0.7
79.05499	2.4
80.05035	0.6
81.03412	0.5
81.05803	1.6
81.07050	1.8
85.02919	0.6
91.05482	1.8
93.07056	1.9
94.06573	0.4
95.04958	1.2
95.08620	0.5
96.04400	0.3
96.08132	5.1
97.02879	0.4
97.06537	0.4
105.07012	0.9
106.06553	1.1
107.08595	0.9
108.08121	1.2
109.02872	0.4
109.06544	0.4
119.03436	0.5
119.08560	0.5
122.05972	1.6
124.07594	19.7
126.05521	0.8
129.06969	0.5
136.07578	76.2
137.05899	0.5
137.07939	2.2
138.09105	2.1
140.07062	1.8
143.08566	0.5
145.10117	0.4
147.11784	0.4
162.05458	0.6
164.07065	100.0
165.07425	3.8
182.08133	3.0
191.88048	0.4
235.13423	0.3
236.09232	2.2
254.10260	1.1
282.09720	49.9
283.10156	3.0
288.12256	0.6
300.10767	11.2
301.11194	0.8
305.14960	0.6
392.17807	0.4
409.12750	0.6
441.20782	1.5
441.26694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.0
62.58582	1.5
69.20071	11.2
88.99261	1.6
93.38721	1.5
94.81721	1.5
95.08635	2.2
96.05629	1.8
137.05998	6.5
222.96060	1.8
226.11142	2.6
244.12349	2.5
410.79941	1.8
441.18872	100.0
442.12115	5.7
442.19208	7.9
459.19971	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29873	0.5
53.03937	1.9
55.01865	2.5
55.05509	3.6
57.03424	1.7
57.07061	1.2
59.05007	0.9
61.02916	1.6
66.72134	0.5
67.05498	3.4
68.99784	1.4
69.03432	9.1
69.07069	7.3
71.04991	1.2
73.02923	1.3
74.75831	0.5
78.97065	0.6
79.05493	3.9
81.03417	5.9
81.07068	5.9
83.04982	0.7
83.08617	3.3
85.02901	14.1
85.06524	1.8
87.00827	7.6
88.55550	0.5
91.05486	4.6
91.11024	0.6
93.07064	6.3
95.04976	1.2
95.08610	11.5
97.02895	9.1
97.06525	1.1
98.23302	1.1
99.04447	2.8
99.08116	0.6
101.02386	0.9
105.01887	5.1
105.07038	11.2
107.08591	12.8
109.02890	5.8
109.06512	1.3
109.10163	7.1
111.08066	1.9
111.88707	0.5
115.03952	1.2
117.01867	0.7
117.07020	1.5
119.08585	35.0
120.08924	0.7
121.06550	0.7
121.09292	1.1
121.10145	14.9
122.10431	0.7
123.08074	1.4
123.11736	1.1
125.02357	2.4
127.03905	8.7
129.01834	1.3
131.08546	2.3
133.10129	30.1
134.10739	0.9
135.08075	1.9
135.11719	4.2
137.09637	1.1
139.07503	0.6
143.03395	1.2
143.08525	1.5
145.04942	4.1
145.10136	6.0
146.42473	0.6
147.02931	0.7
147.08005	0.8
147.11699	8.4
149.09612	0.7
149.13251	2.7
157.10149	1.7
158.10933	0.8
159.02951	2.9
159.11707	1.9
160.12386	1.0
161.13254	4.2
163.07368	0.5
163.11131	0.8
163.14879	0.5
171.11748	1.1
173.13268	3.9
175.14824	100.0
176.15164	5.6
177.16386	15.3
178.16702	0.7
181.08607	0.5
185.13196	0.7
187.14815	4.8
189.03995	0.7
189.12697	0.6
189.16386	0.6
193.12260	0.6
193.15875	5.1
199.11211	1.0
199.14774	0.9
201.16298	0.7
205.15887	10.9
206.16174	0.7
217.15891	1.3
224.72873	0.6
229.03374	1.1
229.15698	0.7
231.04988	2.4
249.06052	1.0
265.15640	0.7
283.16788	1.8
288.57410	0.5
301.17889	1.4
368.87344	0.6
369.32278	0.6
387.17703	0.8
405.18848	1.8
423.20016	1.8
441.21475	2.9
441.33981	0.9
467.11719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2458
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
61.84824	0.5
67.05518	0.6
68.74987	0.4
69.15116	4.3
81.07060	1.2
85.02921	0.7
93.07034	0.8
105.07014	0.8
119.08538	0.8
121.10069	0.6
165.09076	0.5
190.92245	0.4
192.84302	0.5
193.12241	1.1
195.85947	0.5
201.03702	7.9
203.05272	9.2
203.75963	0.5
245.06578	0.6
261.18277	3.8
263.19827	12.9
264.20181	0.7
355.17438	1.1
379.79810	0.5
397.18338	3.7
429.45358	0.5
441.17523	10.5
441.24564	100.0
442.18622	1.0
442.24823	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	441.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	1.5
55.05511	3.4
57.03439	2.1
57.07093	0.8
61.02922	1.3
65.03963	0.8
67.05513	4.0
67.30106	0.7
69.03436	3.9
69.07066	4.4
70.06592	0.8
71.05007	0.9
73.02914	6.4
79.05490	3.9
81.07053	8.1
82.54463	0.7
82.92140	0.7
83.08627	2.3
84.08138	0.7
85.02907	10.0
91.05455	4.7
91.56076	0.7
93.07043	9.1
95.04990	2.3
95.08612	13.7
97.02885	5.6
97.06560	1.4
105.07028	8.3
106.07353	0.7
107.08591	10.0
108.08968	0.8
109.02874	1.5
109.06583	1.2
109.10159	8.9
111.08136	1.3
115.03948	1.7
117.07011	1.3
119.08582	11.0
120.68578	0.8
121.06533	2.3
121.10136	7.3
123.08107	1.6
123.11713	3.7
125.09681	1.0
127.03937	2.5
127.11211	1.0
129.06990	1.3
131.08569	5.4
133.04996	2.1
133.06508	1.1
133.10139	7.8
135.08075	5.7
135.11719	4.7
137.09659	2.5
137.13275	1.2
142.07764	1.0
143.08568	2.6
143.42546	0.7
145.04944	3.6
145.10149	6.7
147.08081	2.5
147.11716	5.0
149.09666	2.9
149.13275	2.8
151.11189	1.5
155.08565	1.4
156.09361	0.9
157.10129	4.4
159.11711	5.7
161.09628	3.0
161.13319	3.0
163.06056	2.0
163.11194	1.0
163.14896	1.2
165.09114	10.6
169.10167	1.5
171.11679	3.6
173.09721	0.9
173.13266	4.8
175.11230	2.2
175.14780	3.8
177.16441	2.2
183.11716	1.9
185.09732	0.8
185.13289	4.0
187.11232	0.8
187.14854	5.7
189.12756	1.8
189.16418	2.1
191.14240	1.2
197.13336	1.1
199.14848	2.6
201.12531	0.7
201.16423	2.3
203.05289	3.8
203.14337	5.3
203.18001	1.0
205.15938	3.3
211.14815	1.2
213.16481	2.5
215.17885	1.2
217.15985	2.7
219.17453	1.1
225.16272	1.1
227.17982	1.3
231.17566	1.0
239.17973	1.3
243.17566	1.5
253.19597	1.4
255.21048	1.2
261.18314	1.9
267.21115	1.0
271.20596	1.0
279.15717	1.5
367.26224	1.1
387.30566	1.0
405.31693	3.8
411.23398	2.1
423.32632	10.7
424.33395	0.9
441.24649	100.0
441.33640	23.2
442.25037	8.0
442.34030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
70.19778	0.9
87.18707	0.4
95.08625	0.4
136.56160	0.4
154.72186	0.3
155.61302	0.3
165.09203	0.5
203.05267	5.6
261.18314	1.5
278.89200	0.4
279.19272	1.0
378.60141	0.4
441.24606	100.0
442.24966	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	441.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.05497	1.4
65.28136	0.7
67.05495	2.6
69.03446	0.7
69.07063	2.1
71.04993	1.0
71.30473	1.0
79.05500	1.7
81.07054	4.9
83.04986	1.0
83.08611	1.2
91.05481	1.6
93.07037	3.2
95.04984	1.9
95.08611	7.0
97.06525	0.7
104.84254	0.8
105.07030	2.6
107.08588	4.3
109.06535	1.4
109.10149	3.8
111.04473	0.7
117.07025	1.4
119.08590	3.2
121.10157	2.7
123.11690	1.6
124.63968	0.7
131.08551	1.3
133.10153	3.4
135.08044	0.9
135.11723	2.3
137.09624	1.5
137.13283	1.1
143.08617	1.3
145.10161	2.5
147.11679	1.6
149.09622	1.3
149.13217	1.3
151.07442	1.2
157.10188	1.8
159.08110	1.2
159.11705	1.7
161.09578	0.7
161.13252	0.8
163.11203	1.2
165.09105	5.4
169.10191	0.9
171.11688	1.5
173.13268	2.1
175.14894	0.9
177.09030	1.0
185.13324	1.0
189.12717	1.1
201.12932	0.9
201.16414	0.7
203.10652	0.7
213.12906	0.8
350.14853	0.8
441.28268	100.0
442.28558	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	441.3367
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
50.20644	1.9
55.01861	1.7
55.05507	14.2
57.03447	2.0
57.07063	8.2
65.03954	2.3
67.05509	22.2
69.03418	2.7
69.06726	2.9
69.07068	35.6
71.04987	6.6
71.08625	2.3
71.31947	2.4
79.05493	17.6
81.07059	55.4
82.07401	2.3
83.04972	7.5
83.08604	13.8
85.06532	4.7
87.04472	4.5
89.49366	1.7
91.05483	18.8
92.05813	1.9
93.07040	42.5
94.07349	2.3
95.04974	7.3
95.08611	80.3
96.08938	3.8
97.06525	8.3
97.10178	6.0
99.08077	2.6
105.07029	42.6
107.08595	74.8
108.08869	2.1
109.06527	9.4
109.10157	48.8
110.10473	2.8
111.08083	3.7
111.11703	6.7
117.07035	5.4
119.08585	54.3
120.08953	1.9
121.06510	7.2
121.10144	67.7
122.10488	2.1
123.08090	11.2
123.11710	27.9
125.09650	4.9
127.07562	7.9
131.08566	17.9
133.10139	43.8
134.04001	2.0
134.10420	2.1
135.08037	9.6
135.11693	35.5
137.09586	6.2
137.13257	13.1
139.07516	4.5
139.11218	2.8
143.08585	6.8
144.09299	3.1
145.10115	24.2
147.08049	4.5
147.11699	25.4
149.09641	12.8
149.13248	17.7
151.11205	6.6
151.14787	3.9
153.09122	5.1
155.08554	2.9
156.09312	3.9
157.10110	10.5
158.10892	2.4
159.08107	2.7
159.11725	28.4
161.09621	5.2
161.13263	23.7
163.07562	2.2
163.11234	4.5
163.14818	10.1
165.09134	3.2
165.12766	2.2
167.10689	7.4
169.10143	4.1
170.10683	3.3
171.11702	13.9
173.09592	4.0
173.13268	16.7
175.11137	5.6
175.14844	20.9
177.12766	8.4
177.16399	8.2
179.14339	2.7
181.10081	2.0
183.11713	6.6
185.13246	11.6
187.11179	3.8
187.14841	12.5
189.12755	8.5
189.16368	18.2
191.14291	5.6
191.17973	20.6
193.15930	3.8
193.84505	1.8
195.11728	2.1
197.13284	3.8
199.14841	5.2
201.12852	3.3
201.16411	10.9
203.14391	11.6
203.18031	9.1
205.12300	2.1
205.15919	5.9
205.19463	3.6
207.13812	9.5
207.17542	3.4
211.14781	3.0
213.12907	2.4
213.16283	4.6
215.14337	2.8
215.18002	5.6
217.15852	6.7
217.19498	6.9
219.14049	2.1
219.17436	39.8
221.15417	6.9
223.15024	2.0
223.17039	2.1
225.16341	4.0
227.18001	5.7
229.15866	3.4
229.19588	3.3
231.13762	7.0
231.17451	4.4
231.21214	3.4
233.15332	4.6
233.19087	3.4
235.13210	2.3
235.16974	2.2
239.18086	3.9
241.19568	2.2
243.17548	2.5
243.21034	2.5
251.20029	2.7
255.17390	2.0
255.21062	3.2
257.19052	3.6
257.22571	2.1
269.22797	3.7
271.20599	2.1
273.64026	2.0
280.88516	2.0
281.22391	2.0
285.18658	3.9
287.23709	7.0
342.96722	2.3
364.65628	1.8
381.31799	2.8
395.33218	7.2
405.31558	6.4
423.32309	47.8
423.38016	2.7
424.33044	6.7
441.33640	100.0
442.34027	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	441.3365
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.32372	0.6
53.03945	1.2
55.05514	21.9
57.07076	5.6
58.89540	0.5
67.05506	3.3
69.07071	19.9
69.48644	3.6
71.04987	0.7
71.08638	4.3
79.05492	3.5
81.07057	10.9
83.04983	0.7
83.08624	38.8
84.08947	0.7
85.06551	0.7
85.10139	0.6
87.04471	1.0
91.05483	5.4
93.07055	11.6
95.04964	1.0
95.08047	0.8
95.08608	11.3
96.08897	0.5
97.06532	1.9
97.10164	6.8
105.07027	4.9
107.08596	8.9
109.06536	2.3
109.10157	7.7
111.08070	1.2
117.06990	1.2
119.08571	7.0
120.54475	0.7
121.06514	5.9
121.10140	4.3
123.08093	3.0
123.11715	2.8
129.06995	1.3
130.90738	0.6
131.08574	2.9
133.06505	0.9
133.10135	4.9
135.08035	2.5
135.11647	3.0
137.09637	1.3
137.13269	1.0
139.07533	0.6
143.08539	2.3
145.10109	3.7
147.08052	4.2
147.11690	2.0
149.05928	0.8
149.09628	0.7
149.13257	1.9
151.07576	0.7
151.14859	1.0
155.08615	1.0
157.10121	2.7
159.08063	4.1
159.11697	3.5
161.09605	5.0
161.13268	1.4
163.07457	0.7
163.14839	0.8
165.16435	0.9
171.11716	1.9
173.09644	2.5
173.13266	2.1
175.07558	14.5
175.11226	1.8
175.14886	3.6
176.07771	0.6
177.12798	0.7
177.16464	1.2
181.10089	0.7
183.11705	1.1
185.09612	0.7
185.13287	0.7
187.14807	2.2
189.09100	0.7
189.16418	0.7
191.10701	0.8
191.14365	0.7
193.08609	1.0
193.15884	1.0
199.11172	0.8
199.14769	1.1
201.12791	1.0
201.16441	1.6
209.13249	0.8
211.14703	0.9
213.13010	0.6
215.14328	1.3
217.15868	0.9
219.17548	0.7
225.16438	0.7
229.15923	1.4
235.16946	4.1
239.17941	1.2
241.15935	0.6
247.16959	1.4
257.18857	0.8
259.16797	1.0
261.18515	0.9
267.17480	1.1
271.16879	0.8
273.18500	0.8
275.16422	9.5
275.19684	1.1
285.18564	5.9
286.19147	0.7
287.16541	1.0
287.20059	1.4
289.18073	0.7
301.17975	20.1
302.18396	1.7
303.19531	1.9
315.23172	11.5
339.23169	1.2
357.23901	0.9
357.50555	0.6
365.06027	0.5
405.31375	1.3
423.32172	2.7
424.33090	0.7
441.33615	100.0
442.33978	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	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	17.0
57.07078	10.2
61.64634	2.5
67.05508	23.1
69.07075	24.2
69.63717	9.2
71.04993	3.2
71.08641	6.8
75.24843	3.0
78.02441	2.9
79.05492	20.7
81.07060	100.0
83.04984	3.9
83.08632	19.1
85.06557	13.2
87.04481	5.4
91.05473	18.5
93.07050	31.4
95.08607	55.7
95.09163	5.1
97.06544	7.0
97.10160	6.8
105.07034	28.4
106.07348	2.8
107.08601	45.1
109.06553	7.6
109.10162	36.8
111.08107	4.1
111.11707	3.7
115.07558	5.0
117.07035	8.7
119.06119	3.0
119.08575	29.6
121.06514	4.6
121.10134	31.4
122.86857	2.9
123.08009	5.5
123.11735	19.7
125.09628	5.0
128.15866	2.9
131.08572	11.1
133.10130	27.6
135.08105	11.6
135.11697	24.6
137.09641	5.4
137.13274	12.5
143.08601	4.1
145.10123	18.8
147.08025	3.9
147.11702	21.6
149.06013	11.3
149.09601	3.9
149.13263	19.1
157.10129	10.8
159.11687	23.3
161.13281	10.0
163.07620	4.1
163.11188	3.6
163.14850	11.4
165.09094	5.4
165.16368	5.5
171.11720	3.5
173.13312	11.6
175.14864	12.6
177.12846	11.4
177.16428	11.1
179.14261	4.0
181.15936	9.0
182.10938	3.6
185.13322	5.7
187.14888	9.3
189.12820	4.3
189.16451	5.7
191.14368	5.1
191.17920	17.9
197.13277	3.7
199.14885	4.0
201.16447	8.2
203.14337	3.9
203.17981	11.4
213.16386	4.8
215.14325	4.3
215.17986	5.7
217.16005	4.2
217.19521	4.9
219.15662	3.7
219.17363	17.3
227.17990	4.7
229.15820	3.7
229.19385	3.2
231.17465	6.7
233.19183	4.1
243.17523	6.5
259.16876	5.9
265.59781	2.8
271.20709	4.0
275.16470	7.0
277.19046	3.0
285.18484	4.5
297.22202	5.3
315.23239	7.0
331.02277	3.1
333.45294	2.7
343.22641	8.0
345.24225	3.5
357.24048	15.2
363.30264	6.0
381.31473	38.5
382.31778	5.9
395.33353	3.1
423.31525	13.4
423.37057	5.6
441.33087	94.4
442.34073	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	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01862	2.1
55.05518	19.7
57.07071	11.5
59.04993	4.1
65.03931	2.8
67.05508	34.0
69.03422	3.9
69.07069	41.4
71.04991	4.3
71.08655	2.3
71.32488	2.8
79.05500	19.6
81.07063	68.0
83.04969	4.3
83.08620	19.4
85.06536	7.2
87.04471	5.5
91.05486	19.6
93.07046	52.5
95.04958	7.6
95.08610	100.0
96.08947	4.1
97.06559	4.8
97.10140	9.8
99.04452	1.7
99.08094	4.8
103.01881	1.9
105.07034	31.6
106.07357	3.4
107.08599	74.1
108.08925	5.2
109.06527	9.0
109.10155	70.0
110.10519	4.6
111.08078	5.8
111.11730	5.2
113.09645	7.5
117.06983	6.2
119.08581	54.3
120.08919	2.9
121.06507	9.4
121.10146	64.2
122.10426	3.0
123.08067	8.1
123.11706	41.2
124.12018	2.3
125.09624	2.4
127.11253	3.5
128.06215	2.3
131.08574	14.9
133.06467	2.3
133.10139	43.7
135.08107	12.5
135.10677	2.1
135.11699	38.0
136.12059	2.4
137.09622	6.3
137.13254	22.1
142.07799	2.5
143.08553	6.8
144.09233	1.8
145.10150	26.9
147.08054	8.2
147.11688	29.0
149.09605	5.8
149.13269	30.6
151.11206	5.0
151.14847	5.8
153.09145	2.2
155.08560	3.0
156.09317	2.2
157.10104	10.4
158.10876	2.2
159.08047	3.5
159.11703	23.6
160.12083	2.2
161.09602	11.6
161.13264	22.2
162.13541	2.2
163.11220	4.5
163.14851	12.0
165.09149	4.0
167.14299	2.3
169.10167	2.3
171.11725	13.4
173.09677	4.3
173.13268	20.0
174.13623	2.0
175.11197	5.4
175.14815	17.2
177.09120	3.1
177.12820	6.6
177.16393	16.6
181.12227	2.3
183.11685	5.3
185.13280	8.4
187.11227	3.6
187.14825	13.8
188.15376	2.3
189.12791	7.1
189.16403	20.4
191.14371	5.3
191.17957	24.2
192.18227	2.3
197.13312	2.1
199.14815	6.8
201.12729	3.8
201.16423	13.9
203.14326	13.5
203.17950	17.3
205.15930	2.9
205.19521	5.0
207.13690	2.6
207.17537	2.7
211.14828	4.5
213.16383	6.8
215.14345	4.9
215.17894	8.4
217.15938	6.3
217.19531	7.9
219.13728	2.4
219.17464	14.6
221.15385	16.1
227.17964	4.7
229.19550	6.1
231.13846	3.1
231.17456	5.6
233.15457	3.9
233.19009	4.0
239.17999	3.1
241.19617	4.5
245.19107	3.3
245.22595	3.9
249.18666	3.3
255.21016	5.1
256.11136	1.8
257.22620	3.4
259.16986	6.3
259.20633	3.4
271.20496	2.6
283.20651	2.7
285.18619	3.2
285.22015	2.9
299.23697	2.4
301.25186	2.3
307.24088	2.8
309.25699	2.2
313.25394	2.5
319.17227	1.9
325.29041	3.9
362.18591	2.0
381.31427	7.0
395.33075	14.9
395.41086	2.0
405.30954	3.5
423.32205	24.9
423.36319	27.0
424.32266	3.5
424.37283	3.3
441.33276	56.7
441.37561	48.5
442.33026	4.0
442.38132	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	441.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	32.7
57.07067	16.3
67.05499	40.6
69.07064	44.7
71.04994	5.0
71.08636	7.7
71.33190	4.5
79.05486	24.8
81.07056	80.9
83.04971	5.5
83.08621	37.9
84.31878	4.2
85.06528	6.5
86.16421	4.2
89.05994	4.5
91.05481	31.7
93.07042	62.7
94.07375	5.4
95.04951	4.1
95.08604	100.0
97.06543	9.7
97.10158	9.9
104.03185	4.0
105.07027	47.7
107.08595	91.0
108.08887	7.6
109.06485	5.3
109.10159	85.6
111.08085	8.8
111.11733	4.8
115.07555	3.9
117.07066	6.5
117.49805	4.2
119.08576	66.2
121.06479	8.2
121.10143	62.2
123.08086	5.4
123.11713	37.7
125.09675	5.4
131.08569	14.2
132.54607	4.3
133.10144	51.7
135.08069	7.2
135.11697	35.1
137.13268	14.7
143.08542	6.2
144.67793	4.2
145.10103	33.2
147.11684	44.6
149.09612	5.8
149.13266	29.8
149.14267	6.5
157.10144	7.1
159.11719	33.0
161.09636	6.1
161.13251	28.3
163.11165	12.2
163.14810	16.2
167.10686	5.5
171.11778	8.0
173.13246	27.1
175.14835	28.7
177.12749	11.4
177.16408	13.4
187.14821	20.2
189.16402	17.9
190.31636	4.3
191.17918	23.7
193.15881	21.3
197.13217	5.3
201.16373	15.9
203.17941	23.4
205.15904	9.1
213.16582	6.1
215.14452	5.9
215.17975	7.7
217.19470	19.6
219.17361	4.5
229.15857	16.5
229.19380	5.2
233.15288	9.0
247.16978	5.6
271.24060	5.5
330.23825	4.1
400.08328	4.4
405.31284	5.3
423.32355	13.5
423.36987	8.7
441.33185	35.9
441.37509	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	441.373
Annotation	CHEBI:67825
Peak:m/z	Relative Intensity
50.05064	1.3
53.69292	1.3
55.05506	3.0
57.07076	1.8
67.05508	5.0
69.07070	6.8
69.33739	8.7
69.82510	1.3
79.05505	2.4
79.48003	1.2
81.07065	10.8
83.08600	1.8
91.05499	2.8
93.07040	6.1
95.08618	17.4
97.10135	1.3
105.07021	3.2
107.08576	10.6
109.10156	14.9
111.11753	1.8
119.08576	3.2
121.06469	1.6
121.10163	10.0
123.08077	1.7
123.11729	9.6
133.10135	3.2
135.08086	2.2
135.11710	5.0
137.13274	5.3
145.10124	2.4
147.11716	2.7
149.09608	3.4
149.13281	5.4
159.11684	2.0
161.13329	2.6
163.14825	2.0
175.14850	1.7
184.43680	1.4
201.16229	1.9
205.15999	1.6
217.19620	1.8
301.25278	3.8
423.35944	1.7
441.17142	2.4
441.37302	100.0
442.37686	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05514	2.1
57.07098	0.9
57.88650	0.7
59.04988	0.8
66.24781	0.6
67.05495	4.2
69.07069	4.8
69.25019	4.5
71.20667	0.7
79.05486	1.8
81.07046	5.9
83.08615	2.5
91.05466	1.9
93.07053	4.6
95.04987	0.7
95.08610	13.4
97.06527	0.9
97.10155	0.7
105.07032	4.9
107.08598	15.7
109.06520	1.1
109.10161	8.4
111.08083	1.7
113.09644	1.3
117.07018	0.8
119.08582	10.3
121.10146	14.9
123.08083	1.4
123.11698	3.6
133.10149	6.8
135.08002	1.2
135.11697	5.7
145.10150	3.3
147.11711	3.5
147.12741	0.7
149.09665	3.3
149.13264	3.5
157.10210	0.7
159.11726	4.3
161.13271	6.2
163.11177	1.1
163.14845	1.5
171.11668	1.1
173.13168	1.6
175.14819	8.8
177.12781	1.3
177.16389	26.4
178.16835	0.8
187.14865	1.3
189.16389	1.0
191.14313	0.8
191.17972	4.6
201.16399	4.1
203.17987	1.4
205.15948	1.6
215.17976	1.3
217.19525	1.2
219.17447	100.0
220.17722	5.2
229.19542	1.1
233.18973	7.1
257.22604	0.9
423.36707	4.1
441.37479	11.5
442.37546	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03945	4.0
55.05513	27.3
57.07080	11.6
67.05505	26.8
69.07065	48.2
69.14587	24.9
71.08629	5.7
79.05474	17.1
81.07053	60.1
83.08619	32.9
85.10213	3.2
91.05489	13.6
93.07044	34.2
94.91441	3.0
95.08604	100.0
97.10176	11.8
105.07031	29.4
107.08599	61.5
108.72106	3.1
109.10156	70.2
111.08112	7.7
111.11723	9.0
117.07010	7.6
119.08584	65.0
121.10143	62.2
123.11705	31.8
131.08560	10.1
133.10114	36.9
135.11710	30.6
137.13245	13.6
143.08568	10.5
145.10077	23.8
147.11652	20.0
149.13280	22.1
151.14868	5.9
157.10144	12.4
157.85709	3.5
159.11722	26.4
161.09515	4.0
161.13263	23.9
163.14830	12.7
165.12799	5.3
169.10112	4.8
169.91611	4.4
171.11674	12.0
173.13309	21.6
175.11232	7.8
175.14819	16.8
177.16394	10.5
185.13240	7.5
187.14882	13.0
189.16437	15.8
191.17961	15.5
199.14821	14.4
201.16417	13.9
203.18018	7.9
205.19562	10.7
213.16347	9.3
215.17966	13.8
217.15901	8.3
217.19595	11.8
219.17493	4.0
231.17523	6.1
231.21057	17.9
235.16911	11.1
241.19521	7.7
245.22578	4.2
269.22644	12.9
309.25992	3.0
331.91074	3.5
345.27765	4.1
367.33728	5.8
391.33475	4.1
405.35181	24.3
409.34610	12.6
423.36160	26.8
441.37399	84.6
442.38013	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	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.53577	0.4
55.05516	2.7
57.03447	0.5
57.07072	1.2
57.98959	0.5
61.18585	0.3
67.05511	4.9
69.03429	0.6
69.07070	5.7
70.58155	0.9
71.05016	0.5
79.05516	2.6
81.07060	9.5
83.04997	2.5
83.08607	2.1
91.05486	2.8
93.07053	6.0
95.04980	1.5
95.08611	13.4
96.08952	0.4
97.06539	0.9
97.10169	1.1
101.05808	0.4
105.07037	5.3
107.08598	10.3
109.06544	1.4
109.10163	8.9
111.08083	0.8
111.11723	1.3
114.36142	0.4
119.08584	6.1
121.06557	1.3
121.10147	7.9
122.10508	0.6
123.08073	1.5
123.11701	5.7
124.12099	0.5
125.09669	0.5
125.13309	0.4
131.08571	1.6
133.10117	5.5
135.08057	5.1
135.11702	6.2
137.09604	1.4
137.13278	2.2
139.11266	0.4
143.08594	0.7
145.10124	2.5
147.11690	3.6
149.09633	10.7
149.13252	2.0
157.10162	0.8
159.11684	2.1
161.09656	0.8
161.13240	2.0
163.11174	1.5
163.14828	0.8
171.11662	0.4
173.13332	1.3
175.11121	0.5
175.14862	1.4
177.12709	0.8
177.16409	1.8
179.14313	0.6
185.13293	0.6
187.14848	1.2
189.16405	3.1
191.17975	1.8
193.15877	0.4
199.14897	0.6
201.16441	0.8
203.17941	0.7
205.19548	0.8
213.16383	0.6
215.17979	1.7
217.16080	0.5
217.19638	0.5
233.18988	2.1
235.16919	3.6
245.19034	0.4
247.20534	0.4
269.22748	0.7
287.23672	3.3
334.19897	0.5
419.90433	0.5
423.36249	1.3
441.37299	100.0
442.37662	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.0
57.07071	7.0
65.03966	2.3
67.05507	21.7
67.49132	1.7
69.07069	35.2
71.05019	2.2
79.05493	7.6
81.07061	50.8
83.04980	3.0
83.08608	12.1
83.35773	1.7
85.06549	4.8
87.04472	4.5
87.92265	1.8
91.05472	9.6
93.07047	23.2
95.08613	83.5
97.06535	3.2
97.10171	5.1
101.06015	6.0
105.07016	18.6
107.08602	42.2
109.06526	2.5
109.10157	55.3
111.11710	5.0
117.06995	1.9
119.08591	27.0
121.10148	46.0
123.08077	4.6
123.11707	31.4
125.13291	3.8
127.07561	3.2
131.08578	7.7
133.10139	33.1
135.11687	26.9
137.13255	22.1
145.10162	6.8
147.11681	17.9
149.13281	12.9
151.11176	6.3
151.14856	4.1
153.09126	3.8
157.10165	2.5
159.11728	8.4
161.13229	13.1
163.14824	7.8
165.12766	3.0
167.10704	4.1
173.13292	6.7
175.14874	8.5
177.16307	2.5
187.14850	5.2
189.16452	8.7
191.17987	3.1
195.13721	3.2
201.16429	3.0
203.17935	6.7
205.19539	3.9
215.17889	3.2
217.19438	4.2
219.13802	2.4
223.16974	4.3
231.21100	5.6
235.17058	2.4
243.21021	3.0
245.22748	13.4
257.22574	14.1
259.24167	1.8
271.24194	11.7
303.23059	10.4
304.23434	2.1
317.24857	3.4
341.32434	2.4
345.27835	3.0
441.37262	100.0
442.37473	10.5
449.36395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3732
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03947	1.4
55.01853	1.0
55.05512	8.3
57.07069	7.0
58.62127	0.9
59.04993	1.4
59.30353	1.2
62.33134	0.9
63.00048	9.4
65.03889	1.2
67.05507	14.8
69.03425	1.9
69.07067	20.4
69.07419	1.7
69.44089	5.8
71.04994	2.5
71.08627	2.9
79.05492	8.8
81.07062	23.7
82.07426	1.3
83.04976	1.4
83.08627	6.4
85.06548	1.4
85.10152	0.9
89.06023	3.1
91.05479	8.1
93.07047	21.3
94.07371	1.1
95.04986	2.2
95.08606	45.1
96.08918	1.4
97.06516	2.3
97.10178	4.7
99.08068	1.8
105.07030	18.7
106.07405	1.2
107.02608	4.8
107.08593	37.4
108.08924	2.0
109.06525	4.6
109.10155	27.9
110.10474	1.2
111.08096	2.9
111.11726	4.3
113.09681	1.7
117.07024	2.5
119.08575	23.6
120.08938	1.0
121.06548	1.8
121.10142	37.0
121.11013	2.1
122.10463	2.2
123.08062	4.0
123.11698	17.4
125.09637	2.8
127.11141	1.0
129.06995	1.5
131.08585	4.3
133.10121	18.1
134.10472	2.3
135.08076	2.4
135.11697	20.7
136.12021	1.5
137.09610	3.1
137.13242	7.3
139.11143	2.0
143.08536	2.1
145.10136	8.4
146.10524	1.5
147.08069	1.9
147.11716	13.0
148.11971	1.7
149.09625	2.5
149.13258	14.6
150.13631	1.6
151.05208	2.3
151.11194	2.6
151.14821	2.3
155.08582	1.8
157.10110	4.6
159.11684	11.3
161.09628	3.8
161.13258	12.9
162.13583	1.1
163.11189	4.1
163.14838	6.2
165.09114	1.0
165.12825	1.3
169.10103	1.4
171.11684	2.8
173.13226	5.6
175.11186	2.0
175.14818	15.4
177.12767	2.2
177.16383	34.8
178.16765	3.0
179.14368	1.5
185.13293	2.7
187.02350	1.1
187.11203	2.6
187.14828	4.0
189.12695	2.0
189.16406	7.3
190.16887	0.9
191.14375	3.0
191.17946	18.0
195.07948	1.0
197.13226	1.5
199.14870	1.4
201.12700	2.6
201.16408	8.2
203.14394	1.8
203.17981	9.0
205.15862	2.2
205.19495	1.6
207.17343	2.5
211.14842	2.0
213.16441	2.4
215.17894	4.6
217.15839	3.9
217.19518	2.9
219.17439	100.0
219.21017	3.2
220.17819	7.4
221.15285	0.9
227.17982	1.7
229.16013	1.2
229.19572	2.7
231.17439	1.2
233.15303	1.2
233.18997	11.8
243.17519	1.7
255.21150	1.4
261.21902	1.1
269.22562	1.4
283.24149	2.4
301.25226	1.9
325.25272	1.2
339.26868	2.0
341.88846	1.2
354.32880	1.0
367.29929	2.2
381.31430	2.4
395.33026	1.9
405.30789	1.4
405.35480	1.8
414.09131	1.0
416.64819	1.1
423.31897	5.0
423.36963	17.6
424.36859	2.3
441.32953	18.4
441.37329	34.4
442.32947	2.4
442.37717	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.03123	2.3
53.03936	2.9
53.08725	2.1
54.51929	1.9
55.05508	21.8
57.07070	8.5
67.05507	27.7
69.03430	3.1
69.07066	39.3
69.53387	4.5
69.53798	8.1
71.08629	5.0
79.05483	13.7
81.07057	57.5
83.08617	23.9
85.06537	3.2
85.10230	2.5
87.04470	3.2
91.05493	11.6
93.07038	26.4
93.45671	2.0
94.07384	1.9
95.04991	2.7
95.08609	100.0
96.08941	2.6
97.10161	9.5
105.07021	32.4
106.07346	2.3
107.08597	51.2
108.08929	4.6
109.06511	2.7
109.10152	70.5
111.08094	5.1
111.11720	10.9
117.07041	4.2
119.08582	50.0
121.06495	6.6
121.10132	55.8
123.08066	7.6
123.11707	32.3
125.09658	4.6
129.09229	2.4
131.08578	13.8
133.09215	2.6
133.10141	37.3
134.10521	1.9
134.56870	2.0
135.08026	4.1
135.11711	29.8
135.96481	2.1
137.09636	3.2
137.13263	16.9
139.11192	2.7
143.08556	6.4
145.10097	13.6
146.32071	2.0
147.11668	19.1
149.09627	2.6
149.13278	20.6
151.11203	3.2
151.14783	5.1
157.10173	10.8
159.11700	18.9
161.09602	5.0
161.13242	16.7
163.11145	3.8
163.14812	18.6
165.12750	5.6
167.10585	3.5
171.11676	7.7
173.13252	16.1
175.11180	3.5
175.14795	19.2
177.12766	3.2
177.16357	16.3
179.14313	2.7
181.12253	2.1
184.12305	1.9
185.13274	5.2
187.14857	10.2
189.12865	2.4
189.16394	16.5
191.14323	3.3
191.17921	26.3
193.12221	4.5
199.14799	12.2
201.16368	6.9
203.14256	2.3
203.17900	10.9
205.16032	4.1
205.19476	20.9
207.17488	2.6
213.16370	10.2
215.17998	6.0
217.15840	3.8
217.19539	10.4
219.17447	8.6
219.21034	4.0
220.17746	7.5
221.18152	1.9
223.16931	4.1
227.17944	4.6
229.19720	4.5
231.17432	9.0
231.21152	13.4
233.18907	4.1
235.16875	14.6
243.21190	3.8
245.22672	6.7
249.18643	3.6
251.19972	2.7
263.19998	3.4
269.22678	3.9
271.24188	3.4
277.21603	4.0
283.24371	2.8
295.24277	3.6
323.27444	3.8
331.26346	3.0
386.13544	2.5
399.32458	2.3
405.30609	1.3
405.35196	34.3
406.35583	3.5
423.31253	2.7
423.36636	27.9
424.36432	2.8
441.37701	82.9
442.37387	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	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67453	2.3
55.05510	21.0
57.07066	13.2
67.05512	21.7
69.07072	42.4
71.08630	4.3
72.04202	3.2
72.04522	28.4
79.05493	8.8
81.07056	66.1
83.08633	17.0
85.06560	3.6
87.04458	5.3
91.05478	12.3
93.07046	31.1
95.08611	100.0
97.06539	3.6
97.10160	12.8
98.23360	6.4
101.06043	4.8
105.07033	25.4
106.94066	2.2
107.08591	47.7
109.10152	69.5
109.40852	2.3
109.72700	2.2
110.10532	2.5
111.08104	3.1
111.11726	10.8
113.06019	3.9
119.08567	33.9
121.10146	48.1
123.11706	29.8
127.07568	4.8
131.08530	6.3
133.10124	36.0
135.08038	2.7
135.11688	27.8
137.09654	3.6
137.13245	30.8
145.10159	7.2
145.37695	2.5
147.11700	28.1
149.13266	14.7
151.11214	7.4
151.14838	5.7
153.09113	4.8
159.11696	8.9
161.09598	2.6
161.13301	14.8
163.11150	2.5
163.14777	12.4
167.10718	6.3
173.13258	9.3
175.14832	13.1
177.16380	6.9
187.14897	7.2
189.16397	11.0
191.17935	9.3
193.12227	3.6
195.13785	7.3
201.16466	5.6
203.17902	12.7
205.19539	10.2
215.17845	3.4
217.19513	11.5
223.16942	3.6
229.19418	7.7
231.21045	12.1
243.20992	6.2
245.22673	16.9
249.18457	3.3
257.22687	10.6
259.24054	4.6
263.20099	3.3
271.24026	12.7
273.25827	3.5
277.21695	4.2
285.25800	7.6
303.23224	9.6
331.26334	3.3
423.44043	23.5
441.31104	4.2
441.37198	87.7
441.44818	42.2
442.37518	10.2
442.44995	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05515	20.2
57.07074	8.3
60.49479	1.6
65.03923	2.4
67.05507	31.6
69.07073	44.7
71.04988	2.5
78.03311	1.8
79.05495	17.5
81.07064	55.0
83.04966	2.4
83.08620	18.4
91.05486	11.1
93.07051	39.3
93.70849	1.7
95.08612	100.0
96.08926	3.1
97.06544	3.8
97.10177	11.8
99.04411	2.4
101.05990	4.7
102.62336	1.5
105.07029	26.2
107.08598	58.2
109.06510	3.2
109.10159	94.2
110.10504	3.6
111.11719	7.5
115.07555	3.6
119.08588	37.5
120.08925	1.7
121.10147	60.3
123.08128	2.9
123.11716	32.1
131.08574	5.0
133.10138	41.0
134.10472	2.0
135.08073	2.7
135.11694	33.8
137.09615	2.1
137.13272	15.1
145.10158	10.1
147.11702	30.3
149.09665	8.0
149.13261	14.5
151.11188	2.7
151.14868	4.1
153.09103	8.0
159.11720	9.8
161.13269	20.8
162.13632	1.8
162.35693	1.7
163.11172	5.2
163.14801	12.5
165.12785	2.9
165.16356	2.9
167.10695	9.3
173.13268	6.9
175.14839	19.2
177.12737	3.0
177.16423	8.7
181.12256	9.4
187.14842	6.4
189.16457	13.0
191.17961	16.1
193.15881	2.2
195.13850	10.2
201.16397	9.7
203.17972	42.1
205.19498	18.2
206.19856	1.9
207.13837	2.8
209.15335	2.2
215.17960	7.6
217.19540	34.8
218.19885	2.5
219.21048	1.9
223.16924	10.1
229.19588	7.0
231.21094	12.6
235.16859	2.8
237.18517	7.5
243.21223	2.1
245.22647	7.1
249.18593	4.5
257.22659	4.1
259.24301	3.1
263.20053	4.6
271.24207	3.2
277.21600	2.2
285.25787	4.8
289.21616	2.4
303.23254	4.9
317.24753	2.3
331.26175	2.7
345.27707	3.3
357.27884	2.3
385.31088	1.6
423.36493	3.2
441.37238	62.6
442.37634	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.72045	2.5
51.68911	2.7
55.05508	18.0
57.07069	9.8
61.35326	2.6
67.05515	18.7
69.07069	32.6
69.25200	7.1
69.25603	13.3
70.15211	2.6
71.04993	57.3
73.00464	3.1
79.05503	21.3
81.07059	49.8
83.04962	3.2
83.08617	11.2
87.04453	3.5
91.05488	10.9
93.07030	33.6
95.08605	69.1
97.06538	5.3
97.10174	6.1
99.08093	2.8
105.07018	33.3
107.08589	49.1
109.10155	43.9
115.07569	100.0
119.08579	35.9
121.10154	40.7
123.08117	3.4
123.11706	29.0
125.09667	2.8
127.11175	9.1
131.08554	11.1
133.10126	30.5
135.11696	33.8
137.13232	9.4
145.10095	16.3
147.11691	26.6
149.13245	15.1
157.10141	6.8
159.11664	19.0
161.13284	19.1
163.14845	6.9
171.11732	7.0
173.13284	9.6
175.14854	9.0
177.16357	9.2
185.13277	7.3
187.14828	9.2
189.16347	18.5
191.17921	24.3
198.46338	3.2
199.14818	8.7
201.16389	7.2
203.17860	14.1
213.16400	10.1
215.17953	9.0
217.19574	13.3
219.17497	7.1
227.17973	6.9
229.19569	4.9
241.19559	6.9
243.21121	6.9
253.19463	3.9
255.21121	9.9
257.22754	4.9
269.22672	5.6
295.24243	3.3
297.25842	8.5
299.27316	17.6
300.59052	2.8
310.73889	3.3
327.30408	8.0
337.28894	10.3
351.30630	5.5
355.29742	4.7
362.89450	3.2
370.48331	3.0
405.35239	5.2
423.36243	29.2
441.37650	46.3
442.37762	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
54.44756	2.3
55.05513	18.9
57.03436	2.7
57.07083	4.7
63.83160	1.8
66.60924	2.1
67.05504	34.6
69.07070	24.0
69.30238	5.7
69.30643	7.3
71.04985	2.0
71.08621	5.3
79.05502	19.8
81.07059	65.3
83.04983	2.7
83.08614	11.3
85.06538	2.8
89.01176	2.1
91.05479	15.4
93.07038	46.2
94.93028	2.5
95.04956	3.1
95.08611	100.0
97.06516	3.8
97.10187	5.2
99.08104	7.0
105.07038	36.8
107.08600	58.6
108.08926	2.7
109.06525	7.9
109.09438	4.5
109.10159	58.9
111.08083	17.9
111.11736	2.2
117.07038	4.5
119.08591	43.2
121.10144	48.4
123.08091	25.1
123.11691	23.9
125.09610	3.2
131.08549	13.6
133.10120	32.3
135.04352	2.0
135.08078	5.6
135.11696	28.7
137.09625	5.0
137.13260	6.7
139.11188	6.3
143.08574	3.7
145.10112	20.8
147.11696	26.5
149.13243	23.9
150.13618	2.2
151.11169	4.8
153.12753	4.9
157.10118	6.0
159.11696	22.8
161.13257	26.4
163.11198	2.6
163.14824	13.3
165.12723	5.1
167.14160	2.1
171.11687	4.3
173.13330	11.8
175.14803	14.6
177.12781	2.3
177.16353	14.3
179.14319	30.5
183.11591	2.8
185.13297	4.8
187.14774	10.6
189.16354	15.1
191.14299	4.8
191.17963	9.4
193.15907	4.5
199.14780	5.4
201.16394	13.6
203.18005	19.9
205.15926	4.6
205.19563	3.3
207.17464	9.3
213.16519	4.2
215.17906	13.9
217.15904	2.9
217.19527	8.3
219.17477	8.3
219.21149	2.0
221.19031	7.0
225.16174	2.2
229.19604	5.1
231.21034	3.1
233.18985	7.4
235.20627	4.1
247.20503	3.3
251.20113	3.8
275.23755	2.8
293.21011	3.9
293.28610	4.2
303.26865	8.8
331.26239	25.2
332.26575	2.8
349.27316	27.9
350.27933	2.9
383.32971	5.2
405.29871	3.2
405.35129	3.2
411.36392	10.4
412.36658	2.4
423.30933	48.1
423.36279	26.7
424.31442	6.2
424.36783	2.9
441.37497	35.5
442.37491	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
50.27286	11.7
51.72092	9.6
67.05497	32.3
69.07063	30.2
69.57348	9.7
71.31364	17.1
71.48861	9.0
79.05487	24.6
81.07060	63.0
83.03617	9.7
83.08615	14.7
91.05468	24.6
93.07043	34.2
95.08624	100.0
105.07055	46.1
107.08602	64.4
109.10149	66.1
111.08080	12.5
117.06969	11.0
119.08585	59.6
121.10147	62.7
123.11697	30.7
131.08551	16.7
133.10123	39.0
135.11693	32.1
137.13281	22.2
145.10115	41.7
145.23758	10.7
147.11694	33.8
149.13264	31.6
157.10190	14.0
159.11732	31.3
161.13295	22.2
163.14838	23.0
173.13257	19.6
175.14861	22.6
187.14828	22.8
189.16345	19.1
191.17935	21.2
201.16295	13.9
203.18045	15.8
215.17938	15.3
423.36459	24.6
441.32574	14.4
441.37161	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	442.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01873	1.0
55.05513	2.1
56.96562	1.2
57.03430	2.4
61.02925	2.4
67.05499	0.4
69.03427	5.4
69.44923	0.4
69.81905	1.8
70.06590	0.9
71.04989	1.4
73.02902	0.9
75.90331	0.3
79.05544	0.5
81.03415	3.1
81.07040	0.4
83.04988	6.8
84.96008	0.5
85.02911	21.5
85.06550	2.3
87.04465	0.6
91.03947	0.6
95.04972	2.1
97.02906	5.9
97.06534	0.8
98.97585	5.4
99.04444	3.2
99.97949	0.4
101.06022	100.0
102.06357	1.4
103.03915	0.7
104.94083	0.4
109.02897	1.8
109.06566	0.6
110.97578	1.3
111.04445	0.9
113.06006	1.6
114.97849	0.4
116.98606	2.4
121.74875	0.4
122.07138	0.6
123.07937	0.8
123.44752	0.4
125.06010	1.3
127.03923	4.1
128.98642	0.9
131.07108	0.4
134.99683	0.7
136.06203	1.6
137.06012	1.3
143.00175	0.6
143.07082	0.6
145.04945	4.4
149.05995	0.9
155.07072	0.4
158.99696	1.7
161.01227	0.6
161.06041	0.4
163.06032	1.7
170.99762	0.5
177.00714	1.5
178.01151	0.5
189.00757	0.8
192.61043	0.4
201.00719	1.3
202.01126	1.0
209.08127	1.4
219.01807	1.3
220.02113	0.7
227.09135	3.8
237.02870	0.9
238.03192	0.5
245.10208	2.4
261.02936	1.2
262.03265	1.7
263.11249	5.1
279.03836	0.8
280.04391	0.7
280.11765	0.4
310.61667	0.4
321.05109	0.5
322.05063	0.9
442.10452	0.5
442.17557	1.5
443.19373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01867	2.6
55.05510	3.9
57.03437	7.1
57.07077	0.8
61.02925	10.5
67.05498	1.8
69.03425	20.0
69.07067	2.1
70.06587	2.9
71.04993	5.5
72.08147	5.1
73.02921	4.9
79.05509	1.8
81.03416	8.3
81.07056	3.1
83.01336	1.0
83.05017	1.0
83.08611	4.2
85.02905	100.0
85.06544	1.7
86.03232	1.3
86.09701	10.4
87.04475	2.5
87.05595	0.9
91.03947	5.5
91.05486	2.1
93.07051	3.3
95.04977	2.4
95.08604	2.6
97.02892	24.6
99.04468	5.6
99.08033	0.7
101.09648	1.4
103.03955	1.0
105.07033	1.9
107.08600	2.0
109.02877	7.4
109.06517	1.4
109.10131	0.9
111.08070	1.5
113.09641	2.0
115.03895	1.4
116.07094	4.1
117.07011	0.8
119.08593	1.1
121.06480	0.9
121.10142	1.9
123.08100	1.1
127.03920	26.4
129.09090	0.8
131.10684	3.1
133.10068	0.7
135.08028	1.5
137.09610	0.9
138.09096	1.2
139.07521	3.1
141.09109	2.0
141.10243	2.9
145.04953	40.6
145.10103	1.2
146.05318	1.2
149.09676	0.9
151.07524	1.4
151.11224	2.5
155.11761	4.1
157.10030	0.9
159.11681	1.0
163.06017	17.6
163.11206	1.0
175.11208	1.0
176.14276	1.0
177.09172	0.8
181.12253	1.1
183.11331	1.8
185.13206	0.7
200.13956	10.2
203.14337	1.1
209.11707	1.3
215.13908	3.5
227.12790	1.5
228.13426	8.0
233.15352	3.5
235.16934	0.8
245.13527	0.9
245.15619	1.1
263.16400	2.7
281.17505	5.8
327.20218	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	442.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01865	5.3
55.05492	3.7
57.03429	4.6
61.02933	8.3
67.05499	3.8
69.03426	21.4
69.07056	2.6
69.27643	4.2
69.28068	5.7
70.06585	7.1
71.04986	5.1
72.08163	6.4
73.02914	5.5
74.32486	1.3
74.96207	1.1
79.05524	1.6
81.03423	8.4
81.07054	5.2
83.04988	2.2
83.08591	1.8
85.02905	100.0
85.06523	2.5
85.13891	1.3
86.03238	2.3
86.09705	11.7
87.04506	1.4
91.03946	5.0
91.05467	3.8
92.10648	1.2
93.07052	6.4
95.04965	4.5
95.08598	5.4
96.08131	1.8
97.02901	27.3
97.06553	1.8
99.04452	4.9
105.07034	4.5
107.08596	3.5
109.02894	9.9
109.06508	4.1
109.10165	3.3
115.03964	1.6
116.07083	3.4
119.08575	2.8
120.08089	2.7
121.10114	2.0
123.08049	2.4
124.07545	1.9
125.05958	1.4
127.03922	25.8
129.06972	1.3
130.06564	2.4
131.08476	1.6
135.08054	3.0
135.11714	1.9
136.07558	3.2
137.05965	2.4
137.09613	5.7
138.09174	1.8
141.10208	2.4
145.04959	44.7
145.10081	1.6
148.07593	3.6
148.42564	1.3
155.11845	1.4
159.08012	1.9
159.11642	1.6
163.06036	17.1
163.11221	2.3
164.07066	2.1
167.07028	2.5
176.07028	1.6
195.10123	2.2
195.13872	1.5
200.13908	5.5
205.12257	2.3
215.14000	3.1
223.84464	1.3
228.13408	4.6
233.15106	1.3
263.16357	4.3
281.14722	1.8
281.17612	3.2
282.09534	1.5
283.10193	1.5
327.20309	2.2
399.15945	1.6
442.21225	5.6
443.15192	5.6
443.22461	4.4
451.75427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.1
57.07077	13.1
67.05502	39.6
69.07075	36.6
69.48844	48.2
69.52770	8.5
70.07423	10.1
79.05494	14.1
81.07056	64.2
82.07357	18.3
83.08625	26.3
87.04463	57.4
91.05494	12.0
93.07063	32.2
94.07368	9.6
95.08609	100.0
96.08954	28.0
97.10174	10.3
105.07030	25.3
107.08617	58.1
108.08900	15.0
109.10165	71.2
110.10526	9.5
119.08602	48.5
120.08934	14.4
121.06465	10.6
121.10142	52.9
122.10490	18.5
123.08106	12.9
123.11720	33.6
124.12128	8.1
131.08546	9.2
133.10146	32.7
135.11716	22.7
136.12006	10.8
137.13280	12.1
137.14539	7.6
145.10184	15.2
147.11716	15.7
149.09653	10.1
149.13275	21.6
150.13629	11.4
151.14867	10.7
157.10150	10.8
159.11740	22.4
161.13310	12.0
163.14781	11.0
164.15123	12.9
173.13280	16.8
174.13521	11.7
174.24687	9.0
175.14839	14.5
189.16389	19.8
191.17917	22.3
192.18367	11.4
199.14867	10.5
206.19814	11.7
313.51001	9.5
406.35684	45.1
424.36612	43.6
425.34189	18.5
436.44073	9.3
442.38000	98.4
443.34973	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	442.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84608	1.9
55.05511	8.2
57.07079	5.2
67.05498	15.1
68.05848	3.5
69.07080	13.5
69.14407	18.6
79.05510	7.3
80.05830	2.1
81.07056	21.3
82.07384	4.7
82.43015	1.8
83.08630	7.1
84.08952	2.3
87.04477	8.0
91.05497	8.1
93.07050	15.6
94.07388	6.4
95.08611	43.2
96.08959	9.7
97.06561	2.8
97.10172	3.4
98.23331	3.9
99.08077	9.0
100.46273	1.7
105.07028	14.0
106.07382	4.2
107.08598	28.5
108.08957	7.3
109.10156	33.5
109.10895	1.9
110.10477	9.4
111.11699	4.5
115.07661	2.1
119.08590	17.2
120.08942	4.7
121.06523	3.1
121.10157	29.1
122.10500	7.3
123.08069	9.9
123.11725	14.4
124.12059	4.1
131.08568	2.5
133.10161	9.5
134.10501	4.9
135.08090	5.5
135.11690	16.9
136.12027	3.9
137.09605	2.7
137.13304	5.4
138.13611	2.7
145.10162	6.6
147.11658	10.4
148.12015	5.8
149.09647	4.3
149.13274	5.4
150.10406	8.6
151.11200	4.4
159.11719	8.2
160.11961	2.0
161.13277	11.6
162.13545	2.1
163.11241	5.2
163.14825	3.6
167.10706	2.8
173.13298	2.8
175.11061	2.0
175.14832	4.0
176.15230	2.8
177.12743	3.3
177.16443	4.4
182.12643	2.3
187.14795	5.0
189.16425	4.7
190.33900	2.3
191.17992	5.6
192.18416	2.6
201.16415	7.3
203.17943	5.9
204.18327	4.3
205.19519	2.6
210.15486	2.0
216.18469	2.9
217.19476	5.5
218.19890	3.6
219.17445	21.8
220.17889	2.7
229.19633	2.9
232.21445	2.3
234.19804	41.2
287.23721	2.8
424.36713	2.7
427.35715	100.0
428.36346	9.0
442.37759	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	442.96
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39784	0.9
54.54373	0.8
71.32331	1.2
79.37389	0.9
92.56860	0.8
100.35682	0.8
101.01499	1.1
104.99274	100.0
105.99611	1.4
107.20144	0.7
120.96726	1.0
136.94014	0.8
149.74266	0.8
186.99559	21.4
268.99905	3.6
278.95407	39.0
317.68399	0.8
360.95721	1.7
453.55591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01874	0.9
55.02704	0.4
55.05513	1.5
56.96531	0.5
57.03437	1.1
59.04996	0.6
61.02916	1.6
67.05493	1.6
69.03432	4.8
69.07048	0.4
70.06283	0.5
70.06595	4.2
71.04993	0.7
71.30160	0.6
72.08160	2.4
73.02918	1.3
79.05506	1.1
81.03405	1.8
81.07043	1.8
83.01105	1.0
83.04983	2.7
83.08569	0.4
84.08155	0.7
85.02428	0.7
85.02907	10.5
85.06547	1.1
86.03206	0.5
86.09712	2.6
87.04483	0.7
91.03967	0.6
91.05489	1.9
91.56986	0.4
93.07056	2.3
95.01101	2.0
95.04974	3.4
95.08585	0.7
96.01877	0.8
97.02884	4.9
97.06507	0.6
98.97572	0.4
99.04443	1.0
105.07063	2.1
107.04980	0.8
107.08610	2.4
109.02863	1.6
109.06524	1.7
109.10153	1.9
111.00610	0.5
111.04460	0.6
112.01374	1.0
113.02128	3.4
115.03906	0.5
116.07074	0.9
117.07025	0.6
119.08582	3.6
121.06519	1.1
121.10180	2.8
127.03912	2.1
129.07048	0.5
129.63664	0.5
131.08534	1.2
133.06384	0.4
133.10121	1.2
135.08052	1.7
135.11658	1.1
137.09615	2.9
138.09964	0.5
141.05237	0.6
143.08553	1.1
145.04942	1.6
145.10117	1.8
147.08067	0.7
147.09164	1.6
149.09616	0.6
151.07516	0.5
151.11227	0.6
157.04683	0.9
157.10129	1.2
159.08057	6.9
159.11688	1.4
161.09656	1.8
163.11197	5.2
167.03221	0.5
172.55006	0.5
173.09593	0.7
173.13264	0.6
175.11159	0.8
175.15001	0.5
177.07780	0.5
177.09126	3.0
179.08466	0.6
181.12218	1.6
183.14975	0.7
184.12326	0.4
185.04250	4.7
185.13196	0.7
187.11154	1.1
189.12744	0.5
191.10622	0.6
196.06184	0.5
201.03722	1.5
203.05316	1.3
203.14326	2.1
205.12358	0.5
206.05510	11.9
207.06097	1.4
209.13383	0.5
213.15938	0.4
215.14249	0.7
217.15874	0.7
219.13708	0.7
227.14375	0.8
233.15305	0.8
245.15372	4.4
249.07318	1.4
258.97247	0.5
259.07861	3.4
263.13754	0.6
263.16406	6.3
264.16678	0.5
281.09982	1.3
281.14902	2.1
281.17581	1.3
344.18237	0.6
413.14188	1.4
443.15134	100.0
444.09521	0.6
444.15442	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	443.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47373	0.2
58.98589	0.2
75.71111	0.2
81.07030	0.3
81.33776	0.2
85.02885	0.3
91.05466	0.2
95.08553	0.3
98.22604	0.4
105.06929	0.3
117.10999	0.2
117.11845	0.2
152.45543	0.2
165.09114	1.2
185.04155	0.5
195.13564	2.6
223.13104	1.1
227.05234	0.8
237.14528	0.4
271.04395	0.6
339.17740	0.5
357.18817	10.2
358.19144	0.5
381.18845	0.7
399.19885	41.7
400.20248	2.5
410.61819	0.3
443.18875	100.0
444.19266	6.9
444.25226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.5
55.01873	38.1
55.05510	16.3
56.68863	2.0
56.90225	1.8
57.03436	15.0
57.07068	6.9
61.02931	14.4
65.03938	2.2
67.05505	37.3
68.99787	13.8
69.03431	85.6
69.07052	10.4
71.01348	4.8
71.04992	61.7
72.14896	2.1
73.02921	18.0
77.81158	1.8
79.05493	26.3
81.03420	70.0
81.07058	29.5
83.01337	2.2
83.04983	9.6
83.08614	5.1
84.08171	2.5
85.02910	100.0
85.06548	65.2
86.09715	2.3
87.00835	51.8
87.04477	5.5
91.03955	2.5
91.05482	35.9
93.07050	42.2
95.04977	63.4
95.08609	31.0
96.08869	1.9
97.02896	40.2
97.06536	50.5
99.04458	23.3
99.08100	3.8
101.06039	3.3
103.03959	6.6
103.05473	6.0
105.01852	22.2
105.07028	28.6
107.04939	8.0
107.08599	22.8
109.02884	54.4
109.03578	4.1
109.06538	13.8
109.10157	11.8
111.04493	3.2
111.08083	46.1
113.05997	4.2
115.03933	6.3
115.05476	3.9
116.10712	3.7
117.01879	7.4
117.07039	12.0
119.04975	2.7
119.08592	16.8
121.06522	19.2
121.10152	10.9
123.04388	3.2
123.08080	19.3
123.11700	4.9
125.05991	3.5
125.09627	5.0
127.03927	70.0
127.07580	3.8
128.04285	2.5
129.01843	10.4
129.07001	9.0
131.04968	2.3
131.08562	16.3
133.06496	7.0
133.10132	15.0
135.08096	11.4
135.11697	7.3
137.05992	8.8
137.09586	10.5
139.07523	15.8
141.06981	2.7
142.07822	2.8
143.08569	6.1
145.04967	25.3
145.06526	4.5
145.10150	8.7
147.02913	6.9
147.08052	10.5
147.11682	5.4
149.09604	13.8
149.13240	4.6
151.07533	7.9
151.50055	2.2
153.09120	4.0
157.10149	7.2
159.02914	25.6
159.08064	6.7
159.11697	8.2
161.09647	6.6
161.13280	4.7
163.07619	3.7
163.11180	3.3
165.09128	48.6
165.10477	3.8
167.07027	6.2
169.10104	3.5
171.02982	2.4
171.08168	3.2
171.11768	4.1
173.09647	4.6
173.13268	5.9
175.07544	3.5
175.11194	9.2
175.14970	3.9
177.09207	3.0
177.12733	16.0
177.74628	2.5
179.14317	16.5
181.08620	4.7
183.11752	3.7
185.09744	3.1
187.07483	3.2
187.11130	3.2
187.14822	2.5
189.03934	2.9
189.12729	6.8
189.16464	2.9
191.10698	5.0
191.14343	4.1
193.12265	8.2
195.13791	50.8
196.07600	13.5
201.09109	2.7
201.12790	5.7
203.10718	3.3
203.17952	3.9
205.08615	4.1
205.12260	4.4
207.09970	2.3
207.13780	23.6
208.14131	2.5
217.12247	3.4
219.13811	15.7
223.09668	2.6
231.05052	11.4
235.13306	2.6
237.14865	15.6
249.14835	3.0
261.14911	4.5
279.16006	6.9
285.14877	4.7
303.16000	7.4
389.15829	4.0
399.19849	12.9
407.16678	2.8
425.18152	5.7
443.18793	35.9
443.24539	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.5
55.01873	38.1
55.05510	16.3
56.68863	2.0
56.90225	1.8
57.03436	15.0
57.07068	6.9
61.02931	14.4
65.03938	2.2
67.05505	37.3
68.99787	13.8
69.03431	85.6
69.07052	10.4
71.01348	4.8
71.04992	61.7
72.14896	2.1
73.02921	18.0
77.81158	1.8
79.05493	26.3
81.03420	70.0
81.07058	29.5
83.01337	2.2
83.04983	9.6
83.08614	5.1
84.08171	2.5
85.02910	100.0
85.06548	65.2
86.09715	2.3
87.00835	51.8
87.04477	5.5
91.03955	2.5
91.05482	35.9
93.07050	42.2
95.04977	63.4
95.08609	31.0
96.08869	1.9
97.02896	40.2
97.06536	50.5
99.04458	23.3
99.08100	3.8
101.06039	3.3
103.03959	6.6
103.05473	6.0
105.01852	22.2
105.07028	28.6
107.04939	8.0
107.08599	22.8
109.02884	54.4
109.03578	4.1
109.06538	13.8
109.10157	11.8
111.04493	3.2
111.08083	46.1
113.05997	4.2
115.03933	6.3
115.05476	3.9
116.10712	3.7
117.01879	7.4
117.07039	12.0
119.04975	2.7
119.08592	16.8
121.06522	19.2
121.10152	10.9
123.04388	3.2
123.08080	19.3
123.11700	4.9
125.05991	3.5
125.09627	5.0
127.03927	70.0
127.07580	3.8
128.04285	2.5
129.01843	10.4
129.07001	9.0
131.04968	2.3
131.08562	16.3
133.06496	7.0
133.10132	15.0
135.08096	11.4
135.11697	7.3
137.05992	8.8
137.09586	10.5
139.07523	15.8
141.06981	2.7
142.07822	2.8
143.08569	6.1
145.04967	25.3
145.06526	4.5
145.10150	8.7
147.02913	6.9
147.08052	10.5
147.11682	5.4
149.09604	13.8
149.13240	4.6
151.07533	7.9
151.50055	2.2
153.09120	4.0
157.10149	7.2
159.02914	25.6
159.08064	6.7
159.11697	8.2
161.09647	6.6
161.13280	4.7
163.07619	3.7
163.11180	3.3
165.09128	48.6
165.10477	3.8
167.07027	6.2
169.10104	3.5
171.02982	2.4
171.08168	3.2
171.11768	4.1
173.09647	4.6
173.13268	5.9
175.07544	3.5
175.11194	9.2
175.14970	3.9
177.09207	3.0
177.12733	16.0
177.74628	2.5
179.14317	16.5
181.08620	4.7
183.11752	3.7
185.09744	3.1
187.07483	3.2
187.11130	3.2
187.14822	2.5
189.03934	2.9
189.12729	6.8
189.16464	2.9
191.10698	5.0
191.14343	4.1
193.12265	8.2
195.13791	50.8
196.07600	13.5
201.09109	2.7
201.12790	5.7
203.10718	3.3
203.17952	3.9
205.08615	4.1
205.12260	4.4
207.09970	2.3
207.13780	23.6
208.14131	2.5
217.12247	3.4
219.13811	15.7
223.09668	2.6
231.05052	11.4
235.13306	2.6
237.14865	15.6
249.14835	3.0
261.14911	4.5
279.16006	6.9
285.14877	4.7
303.16000	7.4
389.15829	4.0
399.19849	12.9
407.16678	2.8
425.18152	5.7
443.18793	35.9
443.24539	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	18.5
55.01873	38.1
55.05510	16.3
56.68863	2.0
56.90225	1.8
57.03436	15.0
57.07068	6.9
61.02931	14.4
65.03938	2.2
67.05505	37.3
68.99787	13.8
69.03431	85.6
69.07052	10.4
71.01348	4.8
71.04992	61.7
72.14896	2.1
73.02921	18.0
77.81158	1.8
79.05493	26.3
81.03420	70.0
81.07058	29.5
83.01337	2.2
83.04983	9.6
83.08614	5.1
84.08171	2.5
85.02910	100.0
85.06548	65.2
86.09715	2.3
87.00835	51.8
87.04477	5.5
91.03955	2.5
91.05482	35.9
93.07050	42.2
95.04977	63.4
95.08609	31.0
96.08869	1.9
97.02896	40.2
97.06536	50.5
99.04458	23.3
99.08100	3.8
101.06039	3.3
103.03959	6.6
103.05473	6.0
105.01852	22.2
105.07028	28.6
107.04939	8.0
107.08599	22.8
109.02884	54.4
109.03578	4.1
109.06538	13.8
109.10157	11.8
111.04493	3.2
111.08083	46.1
113.05997	4.2
115.03933	6.3
115.05476	3.9
116.10712	3.7
117.01879	7.4
117.07039	12.0
119.04975	2.7
119.08592	16.8
121.06522	19.2
121.10152	10.9
123.04388	3.2
123.08080	19.3
123.11700	4.9
125.05991	3.5
125.09627	5.0
127.03927	70.0
127.07580	3.8
128.04285	2.5
129.01843	10.4
129.07001	9.0
131.04968	2.3
131.08562	16.3
133.06496	7.0
133.10132	15.0
135.08096	11.4
135.11697	7.3
137.05992	8.8
137.09586	10.5
139.07523	15.8
141.06981	2.7
142.07822	2.8
143.08569	6.1
145.04967	25.3
145.06526	4.5
145.10150	8.7
147.02913	6.9
147.08052	10.5
147.11682	5.4
149.09604	13.8
149.13240	4.6
151.07533	7.9
151.50055	2.2
153.09120	4.0
157.10149	7.2
159.02914	25.6
159.08064	6.7
159.11697	8.2
161.09647	6.6
161.13280	4.7
163.07619	3.7
163.11180	3.3
165.09128	48.6
165.10477	3.8
167.07027	6.2
169.10104	3.5
171.02982	2.4
171.08168	3.2
171.11768	4.1
173.09647	4.6
173.13268	5.9
175.07544	3.5
175.11194	9.2
175.14970	3.9
177.09207	3.0
177.12733	16.0
177.74628	2.5
179.14317	16.5
181.08620	4.7
183.11752	3.7
185.09744	3.1
187.07483	3.2
187.11130	3.2
187.14822	2.5
189.03934	2.9
189.12729	6.8
189.16464	2.9
191.10698	5.0
191.14343	4.1
193.12265	8.2
195.13791	50.8
196.07600	13.5
201.09109	2.7
201.12790	5.7
203.10718	3.3
203.17952	3.9
205.08615	4.1
205.12260	4.4
207.09970	2.3
207.13780	23.6
208.14131	2.5
217.12247	3.4
219.13811	15.7
223.09668	2.6
231.05052	11.4
235.13306	2.6
237.14865	15.6
249.14835	3.0
261.14911	4.5
279.16006	6.9
285.14877	4.7
303.16000	7.4
389.15829	4.0
399.19849	12.9
407.16678	2.8
425.18152	5.7
443.18793	35.9
443.24539	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01865	5.8
55.05514	39.3
57.03437	15.6
57.07074	2.7
59.05004	8.3
61.02934	10.5
65.03939	1.6
67.05502	7.3
69.03436	27.1
69.07066	4.5
69.44215	1.2
70.06596	8.7
70.06915	1.3
71.04989	6.0
71.31246	1.9
72.08160	4.2
73.02925	4.5
73.06550	2.8
79.05489	9.7
81.03414	11.1
81.07069	17.8
83.01343	2.7
83.04986	38.6
84.04488	1.4
84.05309	2.1
84.08126	3.1
85.02906	69.8
85.06551	6.8
86.03214	1.3
86.09721	3.9
87.04476	7.4
91.03960	1.6
91.05476	14.6
93.07033	17.3
95.04971	19.8
95.08619	6.9
97.02901	21.0
97.06524	3.9
99.04469	5.2
101.06023	22.2
103.03934	2.2
103.05454	1.4
105.07037	24.5
107.04958	2.2
107.08593	17.6
109.02879	8.7
109.06519	14.9
109.10146	6.1
111.04426	2.1
113.09657	10.5
114.09990	5.4
115.03989	1.7
115.05433	2.2
115.07561	1.8
117.07007	8.4
119.04974	3.9
119.08594	22.8
121.06541	7.7
121.10143	22.8
122.06027	1.3
122.90982	1.3
123.04396	1.6
123.08070	5.4
125.05992	6.4
125.09602	2.5
127.03926	11.6
127.07551	1.9
128.06201	2.9
129.06961	4.8
129.10240	3.3
130.07829	2.5
131.08578	7.2
131.10698	3.1
132.10950	1.7
133.06503	3.5
133.08620	6.9
133.10123	11.8
135.08049	10.9
135.11678	8.6
136.07600	2.6
136.94308	1.3
137.05975	4.4
137.09622	5.6
142.07774	2.7
143.08524	9.2
145.04979	11.0
145.06464	3.0
145.10132	20.5
146.10606	1.5
147.08072	26.6
147.09187	3.0
147.11761	2.5
148.08478	1.7
149.09621	4.0
151.07549	3.9
151.11183	1.8
153.06882	1.7
157.10184	5.3
159.08060	8.0
159.11720	4.9
161.09624	14.7
161.13301	2.7
163.07556	2.4
163.11188	100.0
164.11520	4.0
165.09151	3.9
167.08585	1.4
168.09290	1.5
169.10060	1.9
170.10913	2.4
171.11656	2.1
173.13216	1.7
175.11267	3.1
175.14857	1.8
177.09142	14.8
179.10713	6.3
181.12241	35.2
185.05867	1.7
185.13258	5.8
187.11195	4.9
189.09131	5.8
197.12981	1.6
199.14835	2.0
201.12729	2.0
203.14308	9.1
205.12239	5.5
205.15770	1.6
207.10152	20.4
215.14272	2.6
217.12329	2.0
217.15918	2.9
221.15445	2.7
223.13290	3.0
227.14323	4.2
233.15323	4.7
235.59334	1.4
245.15375	17.2
246.15623	1.9
263.16415	48.2
264.16809	4.1
281.14810	2.7
281.17490	19.9
307.15402	2.4
341.24869	1.5
443.14502	1.9
443.18088	4.8
443.22729	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	443.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27419	7.6
69.07078	11.2
81.07065	10.9
91.05512	9.3
93.07056	13.9
95.05003	11.4
95.08610	16.6
105.07047	11.4
109.10143	17.2
119.08606	15.6
121.10110	10.8
133.10045	10.3
150.57335	7.9
151.07518	12.7
165.09138	51.6
167.07045	36.9
175.07690	9.3
175.20023	8.8
196.50630	9.0
217.08708	13.4
219.10158	9.4
224.45486	8.6
229.29355	14.1
276.79123	9.1
295.46747	8.2
369.19638	9.1
443.18121	11.4
443.23911	100.0
443.34543	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	443.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57129	0.3
52.47919	0.3
53.03944	0.3
53.06988	0.3
56.05035	0.8
57.03456	0.3
57.05811	0.3
58.02647	0.3
58.06583	0.4
60.04515	0.3
60.05363	0.5
60.05652	6.3
67.05525	0.3
69.03426	0.8
69.07070	8.7
70.06594	23.0
71.04984	0.7
71.06923	0.3
71.28085	0.3
72.04514	0.5
72.07850	0.3
72.08167	2.8
79.05511	0.4
81.03423	1.1
82.90704	0.2
85.02901	1.9
86.09708	100.0
87.00872	0.6
87.10025	1.6
97.02885	0.8
97.07652	0.5
99.04443	0.3
100.00208	0.3
105.01883	0.5
105.07032	0.4
107.04961	1.7
109.02902	0.5
112.08722	3.3
112.72214	0.3
113.07121	0.5
114.10314	0.5
115.05473	0.3
115.08688	4.2
115.09427	0.4
116.07095	8.0
127.03930	1.1
128.10727	15.9
128.11745	0.7
129.10248	0.3
129.11099	0.4
130.09787	2.7
131.22324	0.3
133.09738	0.8
133.88029	0.3
135.08095	0.6
136.98672	0.3
145.05016	0.5
156.10161	1.2
156.11313	6.9
158.09250	7.3
159.02946	0.4
161.05931	0.4
163.07570	0.9
167.07057	1.4
175.07584	0.4
175.11911	18.2
176.12242	0.4
185.10342	0.3
187.07600	0.4
187.10912	0.4
192.79312	0.3
195.10156	2.1
226.15448	0.4
229.15457	0.6
253.16628	0.4
269.18628	0.8
271.14694	0.6
271.17642	10.3
272.17996	0.5
275.23752	0.4
288.20352	0.9
297.06445	0.3
401.27859	0.6
425.28806	1.1
443.29767	82.0
444.30042	8.3
444.36206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3521
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.61644	1.0
55.05501	3.3
57.07063	2.2
67.05489	4.8
69.07076	6.1
69.12011	7.0
69.12431	1.9
71.04996	2.8
79.05492	2.5
81.07053	9.0
83.08620	4.3
85.06544	2.6
91.05473	4.9
93.07059	12.6
95.08604	14.8
97.06515	2.0
97.10173	1.5
105.07017	8.1
107.08591	13.5
109.10159	14.1
109.66586	1.0
111.08049	1.7
111.11778	1.1
119.08580	14.5
121.10146	11.4
123.11707	4.9
127.11229	1.6
131.08611	3.8
133.10126	12.1
135.11681	10.3
137.09615	1.3
137.13252	1.8
143.08586	2.1
145.10147	6.0
147.08075	1.7
147.11681	8.9
149.09549	1.3
149.13245	6.0
151.11186	1.9
157.10217	2.4
159.11700	6.3
161.09612	2.1
161.13234	8.9
163.14813	3.3
165.09135	1.5
169.33923	1.1
171.11676	2.6
173.13222	2.3
174.86115	1.3
175.14832	5.1
177.12743	5.9
177.16374	2.2
185.13298	3.1
187.14838	5.9
189.12833	1.4
189.16382	7.9
191.17946	1.4
199.14818	2.7
201.16425	2.4
203.14317	9.3
203.17975	5.8
203.25195	1.1
205.15903	1.7
207.17456	4.9
211.14671	1.1
213.16512	1.2
219.17442	2.1
227.17999	2.1
253.19606	2.5
255.21123	2.6
267.21396	1.1
271.20602	3.6
273.22229	1.5
323.23346	1.3
407.33139	9.7
425.33981	7.0
443.35223	100.0
444.35474	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.46292	1.1
53.03956	2.2
55.01895	1.1
55.05521	10.5
57.07078	6.8
67.05508	9.0
67.36094	1.5
69.03428	1.6
69.07070	16.8
69.10886	8.7
70.07414	1.2
71.05010	1.9
71.08642	5.1
79.05499	7.1
81.07061	20.3
83.04956	1.4
83.08620	9.1
85.06555	2.2
85.10203	2.4
91.05486	9.5
93.07047	21.7
94.07394	1.5
95.04955	2.1
95.08607	28.3
97.06509	2.9
97.10174	6.1
98.23318	1.8
99.08138	1.2
105.07042	14.5
107.04962	1.3
107.07870	1.6
107.08601	26.3
108.08956	2.2
109.06545	4.0
109.10159	18.5
111.08111	3.6
111.11745	3.0
115.05515	1.3
117.07048	4.9
119.08588	15.7
120.08902	1.5
120.49414	1.1
121.02894	3.6
121.06499	8.7
121.10136	23.9
123.08085	3.3
123.11713	8.4
125.09681	1.3
129.07033	2.6
131.08574	6.1
133.10143	13.8
135.08032	6.6
135.11682	11.6
137.09671	2.8
137.13206	6.8
139.07579	1.4
143.08586	1.8
144.09354	1.4
145.10153	10.5
147.08076	1.3
147.11671	8.4
149.09645	4.7
149.12279	1.1
149.13255	6.2
151.11211	1.8
151.14832	2.4
153.09225	2.4
157.10143	3.9
159.08052	2.7
159.11685	6.9
160.40295	1.3
161.09679	3.1
161.13289	7.3
163.07600	3.6
163.11218	2.2
163.14857	4.5
165.09180	1.5
167.10704	1.2
169.10146	1.8
171.11752	3.1
173.09633	3.1
173.13353	5.0
175.11263	1.3
175.14827	7.8
177.09143	1.5
177.12778	2.7
177.16420	3.0
183.11710	2.8
185.13229	3.1
187.11232	1.7
187.14880	4.7
189.12752	1.7
189.16446	3.5
191.17981	3.7
193.15892	1.1
197.13358	2.1
199.14812	2.8
201.12701	1.9
201.16457	4.9
203.17987	3.4
205.15892	2.5
205.19621	1.8
207.17543	1.9
211.14890	1.5
213.16423	2.1
215.18011	1.5
217.19508	2.3
219.17540	1.7
221.15448	2.2
221.18976	2.0
225.16412	1.4
227.18042	1.5
229.15970	1.7
231.17406	1.3
233.19078	4.5
245.19063	1.2
247.13332	2.5
247.16980	2.7
257.18869	1.8
261.18506	8.3
275.16464	12.9
275.19302	1.9
276.16943	1.4
313.66428	1.2
317.24753	27.8
318.25162	3.1
323.99460	1.1
383.33078	2.0
397.35031	2.0
401.34186	2.3
407.33392	2.6
425.34033	11.0
443.35306	100.0
444.35532	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	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03951	0.9
55.01867	1.0
55.05508	7.8
57.07081	4.2
57.54005	0.6
59.05007	1.0
65.03927	0.7
67.05509	8.6
68.49908	0.5
69.03434	4.3
69.07072	18.9
69.82605	0.5
71.04996	1.6
71.08613	1.3
79.05492	6.9
81.07059	25.9
81.67583	0.5
82.76853	0.6
83.04978	1.3
83.08621	8.4
85.06548	1.7
86.66204	0.6
88.07579	0.5
91.05485	6.2
93.07051	19.6
95.04964	1.5
95.08608	39.1
96.08948	0.8
97.06538	3.4
97.10175	4.1
99.08080	2.6
105.07033	14.8
107.08595	33.4
108.08879	1.2
108.20074	0.6
109.06519	5.6
109.10160	23.1
109.10918	1.3
111.08097	3.2
111.11726	5.7
113.09678	0.7
117.07037	2.5
119.08579	31.8
120.08933	0.8
121.06527	1.8
121.10147	45.4
122.10500	1.7
123.08072	8.5
123.11710	29.6
124.12038	1.2
125.09634	2.5
128.06235	0.8
129.07040	1.5
131.08566	4.9
133.10136	19.3
134.10448	0.7
135.08058	11.6
135.11697	17.0
135.68671	0.6
136.12000	0.8
137.09618	5.2
137.13258	6.9
139.07535	0.6
139.11211	1.5
143.08580	2.0
144.09349	1.2
145.10126	17.0
146.10469	1.0
147.08020	1.0
147.11682	10.5
149.09627	4.4
149.13266	9.8
151.11194	3.0
151.14815	6.6
153.09149	2.1
155.08469	0.6
156.09344	1.0
157.10081	3.0
158.10834	1.1
159.11696	16.5
161.09659	1.6
161.13271	10.2
163.11195	9.5
163.14839	8.2
165.12793	3.2
167.10674	3.5
167.14359	0.7
169.10085	0.6
170.10788	0.7
171.11635	3.9
172.12518	0.6
173.13272	9.6
174.10150	0.6
175.11223	1.9
175.14844	8.2
177.12770	6.7
177.16379	18.0
178.16783	0.7
179.14313	1.4
179.21446	0.5
181.12254	5.9
183.11725	0.7
183.13826	1.9
185.13298	3.3
187.14822	12.3
188.15218	0.9
189.12842	1.8
189.16412	7.1
191.14316	8.1
191.17880	3.6
193.15897	2.1
195.13812	0.7
197.13266	0.8
199.14816	4.5
201.12729	0.6
201.16385	11.8
202.17020	0.6
203.14304	5.7
203.17943	4.1
204.14807	0.8
205.15895	20.0
205.19505	1.1
206.16656	5.5
207.17441	22.6
208.17699	1.0
211.14854	1.1
213.16386	2.8
215.14348	4.6
215.17937	2.5
217.15935	2.9
217.19577	1.8
219.17459	13.5
221.18971	3.2
225.16444	0.8
227.14209	0.6
227.17999	2.0
229.16002	0.9
229.19647	1.3
231.17424	3.3
231.21126	1.0
233.15536	0.7
233.19061	3.4
237.16403	0.8
237.18532	3.6
241.19447	0.9
243.17482	0.9
243.21182	1.3
245.19078	1.4
247.20551	4.5
255.21144	0.6
257.19162	0.6
259.20602	1.6
261.22278	2.7
271.20615	0.6
273.22171	0.8
275.23807	1.5
278.93179	0.7
279.21228	0.7
283.20621	0.7
285.21957	0.5
287.23553	1.0
289.25272	1.3
295.16983	0.6
297.22235	1.3
299.23795	0.7
301.25272	0.6
323.23813	0.5
323.27344	0.9
337.25275	0.9
339.26801	0.8
365.28217	0.7
371.29752	1.1
383.28986	0.9
383.33206	7.7
384.33636	1.3
389.32288	2.8
397.35052	0.7
407.33118	34.7
408.33499	5.1
425.34189	100.0
426.34485	13.5
443.35562	15.5
444.35898	2.6
448.17255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03943	1.5
55.05518	8.5
57.07063	3.1
65.03941	1.0
67.05508	11.4
69.07074	40.3
69.18401	2.9
69.18823	3.3
71.08652	1.4
79.05501	5.8
81.07063	22.0
82.07404	1.4
83.04995	1.5
83.08627	7.2
85.06523	1.6
87.04490	1.0
91.05479	4.1
91.74226	0.7
93.07053	14.3
93.19488	0.7
95.04966	1.7
95.08612	47.4
95.36050	0.8
96.08964	1.9
97.06547	6.2
97.10175	4.4
98.23363	1.5
99.08108	1.4
105.07030	12.6
107.08601	28.4
108.08914	0.9
109.06530	3.0
109.10162	21.2
110.10497	1.0
111.08091	3.0
111.11720	14.6
117.07020	1.3
118.67606	0.9
119.08588	18.0
121.06544	1.1
121.10147	21.0
122.10508	1.2
123.08080	2.6
123.11709	13.7
125.09602	1.5
127.11206	0.8
131.08568	3.5
133.10136	11.9
135.08102	1.8
135.11700	13.5
137.09618	7.5
137.13220	5.1
139.07542	2.0
139.11192	1.5
141.16702	0.8
142.07870	0.9
143.08588	1.7
145.10133	6.2
147.11696	9.4
149.09628	1.8
149.13264	15.1
150.13603	1.0
151.11264	2.0
151.14880	4.2
157.10130	3.4
159.11691	8.7
161.09648	1.3
161.13283	5.7
162.13571	1.1
163.11203	3.5
163.14818	5.6
165.09212	1.1
165.12814	1.0
165.16383	1.8
171.11691	3.3
173.09691	0.8
173.13297	7.5
175.11246	1.7
175.14874	6.0
177.12775	2.4
177.16425	9.5
179.17801	0.9
185.13239	1.3
187.14827	11.3
188.11427	1.0
189.12828	2.2
189.16380	11.1
191.14340	2.6
191.17953	18.0
195.13838	1.0
199.14911	2.0
201.16353	4.1
203.14281	1.4
203.18001	3.9
205.12305	1.1
205.15895	4.3
205.19553	2.5
207.17465	3.6
209.19025	5.2
213.16422	3.2
215.17952	4.6
217.15892	1.6
217.19382	1.4
219.17473	2.5
221.15366	1.0
227.17905	1.3
229.19516	1.3
231.17534	1.6
231.21107	1.3
233.15430	2.8
233.18994	1.4
235.17009	2.5
241.19339	1.2
243.20987	1.1
245.19019	1.3
247.16953	1.2
255.21039	1.1
269.22678	3.4
275.20044	1.1
287.23688	8.7
301.25201	2.1
305.21204	1.0
315.23102	1.3
319.22751	1.5
327.26886	1.2
329.83704	0.8
330.29605	0.8
333.24265	4.9
347.25876	1.3
379.33575	3.7
397.30484	7.3
397.34921	2.9
407.33194	1.5
425.34152	15.5
426.34503	2.0
440.29630	0.9
443.35199	100.0
444.35657	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	443.3884
Annotation	Cerin
Peak:m/z	Relative Intensity
53.03953	7.2
55.05518	30.1
56.30230	4.6
57.07071	11.5
62.72773	4.0
67.05505	41.3
69.07063	57.2
69.37721	3.8
70.98348	8.2
71.04989	17.4
71.08638	6.7
79.05486	29.0
81.07056	100.0
83.04990	4.7
83.08630	28.9
85.06596	4.3
91.05479	23.2
93.07034	51.3
95.08598	87.6
95.09155	6.0
97.10170	9.4
98.71761	4.2
103.05444	4.9
105.07039	36.9
107.08581	65.1
109.10155	82.4
119.08591	40.9
121.10159	53.8
123.08051	5.8
123.11720	40.8
127.11219	13.7
131.08563	17.8
133.10149	31.2
134.99461	4.0
135.11690	31.0
137.09695	4.5
137.13268	16.6
137.60173	3.7
143.08580	4.4
145.10133	22.3
147.11687	29.6
149.13281	27.3
153.12788	11.1
159.11703	16.1
161.13249	24.9
163.14827	9.5
171.11632	6.3
173.13287	10.1
175.11198	3.8
175.14833	12.4
177.16371	9.4
185.13213	5.7
187.14880	6.7
189.16377	12.3
191.18018	5.5
193.15923	5.7
203.17946	11.8
215.18016	8.7
217.19537	8.7
219.17392	4.3
229.19679	4.7
257.22556	4.6
260.74258	4.3
366.76599	5.0
412.24161	4.3
425.33755	13.9
425.38455	8.1
443.20966	5.4
443.34045	21.8
443.39734	6.3
452.04962	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	444.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.05040	0.9
62.67183	0.4
68.05022	0.6
68.99783	0.6
69.28320	3.0
70.02916	0.7
70.06582	2.2
72.08153	0.7
73.04737	1.2
76.03993	0.6
80.05000	1.1
83.06100	1.9
84.04505	18.2
84.08128	1.0
85.02901	0.8
86.09691	1.4
88.02193	0.6
91.05772	1.3
95.04968	0.8
96.04485	0.7
97.01076	0.9
97.62069	0.5
99.05591	1.0
107.06068	1.7
108.04461	0.6
109.02869	1.1
109.07623	2.1
110.99000	0.8
111.04450	0.5
113.00565	0.5
120.04451	3.5
121.03999	0.5
123.01348	0.5
124.02165	2.3
125.00565	1.3
129.06619	2.2
129.10286	0.5
130.04991	3.6
132.04417	0.7
132.53961	0.6
133.05240	7.2
136.02193	1.0
136.03915	1.3
138.03700	0.5
139.02148	5.0
139.03903	1.6
140.01595	0.5
140.04666	1.3
142.05013	0.9
143.01617	1.0
145.06081	0.6
148.02159	0.8
148.03923	1.9
150.05475	1.2
151.00877	1.0
151.02673	2.7
152.01640	5.6
153.00037	1.0
153.06592	4.1
154.03055	0.5
154.04967	0.9
155.08168	1.4
158.02728	0.6
163.02579	0.7
163.06265	3.5
164.01675	1.6
164.03418	3.5
165.02507	0.6
166.03238	7.9
166.04997	21.0
166.06410	1.0
167.01570	2.5
167.05453	1.7
168.01213	1.1
171.01105	1.5
172.01884	0.6
177.06584	0.6
178.03485	0.4
178.04991	11.9
179.05772	9.2
180.01140	19.9
180.06496	1.2
181.01913	2.5
181.06097	1.8
182.02692	2.5
183.01128	5.6
185.02629	4.3
186.02142	4.0
194.02708	11.1
194.04448	0.9
195.01128	3.2
195.03362	0.9
196.04285	9.3
197.01404	21.1
198.01724	0.7
199.07063	1.5
207.07486	0.6
211.07216	1.1
212.03761	100.0
213.04054	3.9
223.05318	0.8
225.04268	0.9
240.03267	0.8
250.05159	0.6
251.04692	2.2
255.24011	0.5
257.07614	1.0
269.05914	1.4
278.04880	2.4
283.03845	0.7
289.95517	0.5
297.05380	35.7
298.05615	1.4
315.06427	4.8
323.07104	0.6
359.02740	1.2
369.07507	12.2
370.07693	0.7
381.07547	1.0
444.10974	1.2
444.29190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24638	0.9
53.03949	1.2
55.01873	1.2
57.03433	3.8
61.02927	9.3
69.03431	17.7
71.03170	2.0
71.04996	1.8
73.02901	4.6
76.33492	1.1
78.23753	1.1
81.03419	6.0
85.02908	100.0
85.06549	10.6
86.03246	1.5
87.04464	2.7
91.03963	6.6
97.02893	23.3
99.04469	3.7
103.03921	1.1
109.02882	8.5
115.03940	1.5
127.03925	23.3
136.14893	0.9
138.44748	0.8
145.04962	50.9
163.06026	24.6
163.07356	1.7
218.86311	1.0
229.10704	3.7
266.29239	1.0
325.11206	2.4
337.40488	1.1
353.74222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01872	10.7
57.03435	22.7
57.07080	13.0
59.05003	100.0
61.02919	12.3
67.05505	3.8
69.03433	38.2
69.31812	11.7
71.01367	4.1
71.05012	2.7
72.08163	5.5
73.02918	59.4
73.04749	2.2
79.05494	2.4
79.47012	1.6
81.03413	10.0
81.07053	2.1
83.04990	2.7
85.02905	84.5
86.09714	7.4
87.04477	5.1
91.03947	2.8
91.05421	2.7
93.07068	4.4
95.04985	2.9
95.08603	3.1
97.02892	67.0
97.03513	3.3
97.06525	3.0
99.04463	5.9
103.03930	3.3
105.01835	2.0
105.07038	4.4
107.08585	7.0
109.02875	10.3
109.10155	1.7
111.08078	2.0
115.03923	25.9
115.11203	26.1
121.06510	1.9
123.11711	2.2
127.03915	26.9
133.04965	33.6
133.10127	9.7
133.12241	47.3
134.05363	1.7
135.11656	8.7
145.04961	30.0
151.11095	1.7
160.12045	1.7
161.09605	4.9
163.06026	10.7
169.12241	3.3
175.72223	1.6
179.10663	12.3
197.11719	40.9
199.06108	1.9
205.04984	1.7
215.14006	2.7
217.07074	3.7
223.06050	7.0
229.14377	2.3
233.13968	3.4
241.06981	8.2
243.13521	1.8
259.08179	7.1
359.02771	2.7
366.25858	1.8
390.79666	1.7
409.79526	1.9
445.15863	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	444.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01872	9.4
55.05504	6.1
57.03442	15.3
57.07085	12.1
59.05004	100.0
60.04519	5.2
61.02937	15.0
67.05491	4.8
69.03430	37.2
69.07066	5.9
70.06564	3.5
71.01369	4.3
71.04992	4.7
71.30794	2.6
72.08159	53.2
72.11090	2.1
73.02921	62.6
73.04736	2.1
79.05487	4.9
81.03411	8.7
81.07058	7.6
83.04973	2.0
83.08636	2.1
84.04499	10.0
84.08141	3.2
85.02908	88.0
86.09705	38.3
87.04478	3.9
91.03965	2.4
91.05434	3.7
93.07033	8.3
95.04963	5.3
95.08604	5.5
97.02902	62.3
97.06503	3.2
99.04455	5.7
101.07115	2.6
102.05540	6.4
103.03940	3.0
103.32088	2.0
104.07092	3.7
105.07029	5.1
107.08614	7.2
109.02892	11.5
109.06499	3.2
109.10161	2.9
110.96587	2.0
115.03925	24.8
115.11201	37.8
117.06995	2.4
119.08557	4.9
121.06522	3.7
121.10168	3.4
124.07600	2.7
125.09597	2.2
127.03910	30.5
131.08578	5.7
133.04993	27.4
133.10124	5.6
133.12248	54.6
135.11720	3.9
136.07562	2.8
137.05930	2.6
145.04956	29.5
147.11700	4.2
154.01305	2.3
154.08578	2.1
161.04536	2.3
163.06039	11.1
164.07010	2.5
167.05626	2.6
172.09633	2.9
173.13316	4.2
177.05452	2.8
179.10637	5.2
191.10616	2.7
193.04935	2.2
197.11552	15.3
203.13951	9.7
211.45003	2.3
215.13925	17.5
223.06087	5.0
225.12531	2.5
241.07098	8.2
243.13428	13.2
247.13289	2.8
259.08160	6.9
324.19498	3.5
359.02686	5.9
426.24866	3.0
444.25656	6.2
445.16263	6.8
445.24576	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	444.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49275	1.6
55.05508	6.9
57.07085	3.0
65.33736	1.6
67.05509	22.2
69.07056	9.8
71.04994	3.5
77.40859	1.4
79.05499	9.5
80.05838	1.7
81.07063	29.9
83.08636	4.9
85.06547	100.0
91.05490	4.7
92.55505	1.6
93.07057	18.4
95.05007	1.9
95.08609	39.5
96.08958	2.0
97.06506	2.9
98.22578	5.0
105.07052	18.1
107.08586	27.0
108.08950	2.9
109.10159	72.0
110.10524	2.6
113.09644	2.1
119.08592	17.2
121.10155	18.5
122.10474	1.7
123.11708	10.5
127.11215	2.7
131.08588	7.2
133.10144	16.8
135.11713	15.0
136.11890	1.6
137.13298	3.8
143.08627	2.8
145.10144	13.7
147.11703	12.5
149.13268	10.9
157.10181	2.7
159.11696	12.9
161.13293	11.5
163.14844	6.3
165.12704	1.8
171.11665	4.6
173.13246	8.7
175.14819	10.4
177.16370	4.2
178.16728	2.0
185.13229	3.4
187.14832	7.1
189.16347	13.2
191.14314	2.2
191.18015	4.6
193.15913	6.1
199.14841	4.7
201.16383	10.9
203.14281	2.3
203.17952	9.3
204.18314	2.2
205.15936	5.4
207.17586	2.8
209.18883	2.0
213.16435	4.1
215.17940	4.3
217.15991	1.7
217.19482	5.6
219.17599	2.4
227.17992	4.2
241.19484	3.7
245.18970	3.0
255.21246	2.2
271.20700	2.3
281.22733	2.0
283.24173	7.4
299.23846	3.0
301.25327	12.0
309.25711	2.8
313.25302	2.8
315.26785	2.0
327.26767	3.6
339.26758	1.9
367.30057	3.8
380.35458	1.5
391.33572	6.2
392.34195	1.6
409.34564	21.7
410.35153	2.4
426.34518	2.6
427.35858	10.2
444.38541	15.9
445.20184	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	444.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.0
57.07079	1.5
58.06598	2.7
69.07076	6.7
70.06594	23.0
71.03123	1.2
71.32107	1.2
72.08149	4.0
73.04760	1.7
74.64034	1.4
81.07079	1.5
83.08624	3.7
84.08118	2.4
86.09719	4.1
88.07639	5.3
91.05843	2.2
93.07113	1.2
97.10178	2.3
102.09207	2.0
107.08655	1.2
132.10208	13.3
146.11766	9.4
157.95735	1.4
233.25198	1.4
244.61034	1.4
320.33099	1.8
338.34299	5.6
359.02695	1.8
382.36835	30.0
383.37070	3.1
408.38004	1.5
444.40527	100.0
445.40863	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	445.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	6.0
68.04242	3.7
69.31770	7.7
69.32178	21.8
73.04756	9.1
78.13805	3.4
84.08147	7.2
85.00164	3.8
85.02953	4.9
89.67854	3.6
91.05788	7.0
98.22653	7.6
98.97595	13.4
100.94764	3.7
103.97117	4.2
110.97594	5.2
116.98669	4.7
119.52160	4.1
129.15689	4.0
152.05746	5.1
166.01321	6.1
176.78033	4.3
193.21149	4.4
216.98669	5.3
237.02788	9.3
299.02942	5.4
317.04074	6.3
359.02618	6.9
369.54788	5.0
445.05148	7.9
445.11047	100.0
446.11404	9.0
463.06021	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	445.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31342	21.7
69.31690	3.9
70.06612	3.6
82.08981	3.6
91.36513	2.7
95.63931	3.0
102.01213	3.4
335.92053	3.4
381.92999	4.4
445.11136	100.0
446.11566	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	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42418	2.2
56.05535	2.2
56.96572	3.8
61.01123	3.0
70.06586	12.7
71.30316	4.1
71.79571	2.3
72.08154	9.1
73.04761	51.2
84.04518	3.2
84.08131	14.8
85.02935	2.4
86.09705	7.9
91.05800	100.0
98.13686	2.2
98.97604	6.8
102.96855	5.9
110.97562	2.8
114.07368	3.5
115.08691	2.7
116.98580	5.1
120.08089	4.7
129.10242	10.1
130.05003	2.8
136.06189	4.9
149.04507	8.6
162.39076	2.2
163.03905	9.6
167.05554	49.4
181.27136	2.7
204.99918	3.2
219.01706	3.5
225.04347	20.9
227.02261	5.9
237.02853	4.9
251.00383	2.4
265.02014	3.1
275.06119	2.4
299.27545	2.7
324.98480	3.8
341.01761	3.1
342.99634	15.9
359.02847	72.7
360.02768	7.9
429.09113	3.6
445.11194	31.8
445.17584	2.8
445.20071	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1686
Annotation	Rossicasin A
Peak:m/z	Relative Intensity
54.31745	0.5
55.05495	0.6
69.03411	0.9
69.07060	1.2
70.06591	1.0
70.91549	1.3
72.08163	3.7
73.04745	2.9
78.58740	0.5
79.05492	0.7
81.03477	0.6
81.07033	1.0
84.04474	0.6
84.08134	1.6
85.02927	1.1
86.09212	0.9
86.09708	11.6
91.05837	3.2
93.07028	0.8
95.01356	0.5
95.04976	1.1
95.08550	0.6
97.06512	0.6
111.00557	2.3
119.04906	0.6
119.08518	0.5
121.10114	0.6
128.22400	0.5
131.04938	0.9
137.09671	0.8
145.10104	0.6
147.04436	0.9
148.75774	0.5
167.05563	1.5
173.12868	0.8
185.16544	1.1
187.11081	0.8
199.18040	0.8
201.12358	0.7
213.16020	1.5
221.11571	0.9
233.14842	0.9
249.11072	0.8
253.09813	1.1
293.13397	0.8
301.11948	2.0
309.13071	1.7
339.14130	15.5
340.14529	1.3
343.13071	1.2
343.17166	0.8
359.02765	3.0
365.15726	3.5
367.13519	1.5
381.15201	1.3
383.16376	3.4
385.14252	1.0
401.17990	4.3
402.18314	0.6
409.14636	0.8
427.15738	24.4
428.15805	1.2
445.16602	100.0
446.16898	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96187	0.3
53.03947	1.7
55.01873	2.1
55.05511	0.9
57.03432	1.4
61.02922	1.5
61.26350	0.3
65.03915	0.4
67.05499	1.2
68.99775	0.7
69.03433	8.4
69.07072	0.5
69.15264	2.5
71.04989	1.5
72.08130	0.7
73.02925	2.1
73.04757	0.9
79.05496	2.5
81.03422	6.4
81.07045	2.5
83.05017	0.7
85.02908	13.7
85.03436	0.7
85.06509	0.4
86.09723	1.7
87.00828	4.9
91.05479	2.9
93.07049	5.0
95.04979	1.7
95.08603	2.4
97.02895	4.9
97.06532	0.7
99.04451	3.0
105.01871	2.6
105.07036	7.2
107.08599	26.9
108.08921	0.8
109.02882	6.6
109.06539	1.6
109.10139	2.3
111.08073	0.8
115.05470	1.1
117.01870	0.4
117.07011	5.9
119.04948	0.5
119.08589	5.0
121.06516	1.1
121.10154	4.8
123.08060	1.0
123.11694	1.9
125.09588	0.6
127.03919	9.3
129.01863	1.2
131.08591	1.1
133.06467	0.9
133.10136	16.2
134.10457	0.6
135.11682	1.2
137.05974	1.5
137.09608	1.0
139.07556	1.3
141.06960	0.4
143.08534	1.0
145.04956	2.1
145.06528	0.4
147.11742	0.8
149.09610	2.8
151.07541	0.6
151.10077	0.6
151.11198	7.7
157.10107	0.6
159.02888	1.9
159.08087	0.4
161.09616	5.3
167.05592	0.9
167.10686	10.7
168.11060	0.6
169.12224	1.3
171.11641	0.4
174.06758	0.5
175.07462	0.4
175.11224	0.4
179.10678	17.2
179.14037	0.7
180.11052	0.9
191.10803	0.4
193.12187	0.4
197.11737	100.0
198.12079	4.0
207.10138	0.5
211.13322	0.6
213.03983	0.6
231.05019	2.3
235.13281	0.5
342.99753	0.4
359.02878	1.3
393.78333	0.4
427.16077	1.3
445.16858	2.9
445.24179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01855	1.5
55.05499	0.7
57.03425	1.3
59.04992	0.7
61.02923	0.9
65.03915	0.6
67.05499	1.1
68.99777	0.6
69.03081	0.5
69.03430	7.3
70.98782	0.3
71.04964	1.0
72.08154	0.5
73.02892	0.9
73.04752	0.8
79.05500	1.2
81.03419	4.4
81.07050	1.1
83.04926	0.4
85.02905	14.8
86.03248	0.4
86.09691	1.0
87.00828	5.3
91.05435	4.8
93.07046	7.3
95.04957	2.0
95.08584	1.1
97.02891	4.0
99.04462	2.0
105.01869	4.4
105.06369	0.6
105.07032	6.6
107.08594	20.2
108.08916	0.6
109.02880	5.5
109.06506	1.6
109.10151	1.0
110.02802	0.5
112.64281	0.3
113.91522	0.3
117.01869	0.6
119.04945	0.8
119.08576	2.4
121.06536	2.2
123.04430	0.4
123.11698	1.2
127.03917	10.2
128.04291	0.4
129.01823	0.8
131.08513	0.7
133.06462	0.5
133.10124	20.2
134.10475	0.6
135.08107	0.6
135.11691	18.5
136.12054	0.6
137.05951	0.9
137.09598	1.4
138.88875	0.4
143.08551	0.5
145.04930	1.8
145.10077	0.5
151.11162	1.6
159.02875	0.8
161.09619	10.8
167.07018	0.4
169.57094	0.3
179.10670	34.9
180.11011	1.3
189.04022	0.5
197.11726	100.0
198.12067	4.3
213.03856	0.7
231.04973	1.5
333.95004	0.4
359.02777	0.7
384.16696	0.4
398.37888	0.3
461.54745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57496	0.4
69.35282	2.1
70.01182	0.4
73.04738	1.7
85.02903	0.6
86.09689	0.6
91.05813	2.0
97.06535	0.5
98.23378	0.5
103.19710	0.4
105.07043	0.5
105.54213	0.4
124.31250	0.5
130.02838	0.5
156.04390	0.4
165.09116	0.4
167.05623	0.9
189.05208	0.8
192.15999	0.5
201.04129	0.4
215.40201	0.4
222.09535	0.4
225.04266	0.7
342.09705	1.3
359.02829	1.9
445.18338	100.0
446.18680	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	445.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07587	7.2
55.05529	10.1
61.49937	6.9
67.27185	6.4
69.03460	7.4
70.06598	31.4
72.08163	44.0
73.04762	60.2
81.73561	6.5
84.04509	14.0
84.08185	16.8
85.02923	18.9
86.09722	23.4
91.05828	83.8
91.43983	6.7
95.04999	8.7
98.97590	25.1
104.16293	6.7
116.98663	9.7
121.02830	10.6
141.02307	8.0
149.04465	13.7
167.05547	45.8
212.03767	15.6
213.04114	19.0
213.08853	7.2
225.04294	20.2
265.11203	20.4
283.12155	11.8
307.12247	17.4
325.13324	11.5
359.02856	83.6
360.02905	12.9
393.72202	7.3
427.15979	10.2
445.19913	100.0
446.10928	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	445.1834
Annotation	Aglacin D
Peak:m/z	Relative Intensity
50.86776	2.9
57.03432	5.2
68.39514	3.2
69.03410	5.0
70.06565	3.3
73.04761	15.9
84.08144	5.9
85.02912	13.5
86.06065	5.6
86.09697	3.7
91.05803	37.0
97.02879	9.5
98.97592	12.1
101.00928	4.1
102.96875	26.0
114.96867	8.0
116.98638	3.6
119.01945	4.4
120.97933	5.9
127.03900	4.6
128.84161	3.0
132.97916	7.6
133.77905	3.1
143.87894	3.7
149.04559	4.4
152.05576	3.6
161.02827	4.4
162.98926	4.5
165.00633	5.4
167.05577	14.8
173.02919	3.6
177.00885	3.9
179.02763	3.8
181.00014	8.1
186.99030	4.4
193.00050	6.9
201.11392	3.3
205.00055	11.1
219.01830	6.4
219.98241	4.2
223.01062	7.2
225.04285	4.5
241.02151	5.0
265.02173	14.3
274.06369	4.6
283.03247	5.7
325.04269	4.0
342.99637	6.0
359.02734	25.6
414.45816	3.3
445.11011	28.3
445.18274	100.0
446.11261	4.4
446.18533	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	445.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.1
57.03438	6.5
57.07083	10.7
57.94065	1.7
63.70256	1.6
66.31383	1.6
67.05514	3.0
69.07069	23.3
69.59955	4.4
69.60331	3.2
71.08627	6.1
74.29999	1.6
79.05513	2.4
81.07059	6.9
83.08620	21.3
85.10168	1.7
91.05853	2.3
92.22579	1.7
93.07038	5.9
95.08576	5.4
97.06527	2.2
97.10184	10.6
98.98498	2.2
105.07053	2.2
107.08598	4.0
111.11710	3.5
119.08592	2.5
121.10144	2.8
127.82272	1.7
131.08575	1.9
134.98193	100.0
155.00996	2.4
176.00969	2.0
311.25818	33.8
312.26358	2.1
333.23978	7.3
445.23425	40.8
445.29358	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01867	6.4
55.05516	46.3
57.03435	22.9
57.07080	29.0
60.90223	2.7
67.05508	60.2
67.24822	3.1
69.03435	6.0
69.07070	61.9
71.04984	7.9
71.08631	20.4
71.30138	2.9
73.04771	5.9
73.70500	2.7
75.04488	6.3
79.05493	26.8
81.07062	93.2
82.07409	3.4
83.04990	10.7
83.08624	46.6
85.06564	5.9
85.10201	10.4
91.05477	12.9
91.05925	3.5
93.07052	46.4
95.04976	3.9
95.08613	100.0
97.06538	20.2
97.10178	26.4
99.08084	6.4
99.11111	2.8
101.05995	3.2
105.07046	24.9
107.08601	48.9
109.06555	8.6
109.10156	51.4
111.08079	14.1
111.11702	5.5
115.07582	4.1
117.07104	5.0
119.08591	33.4
121.06512	4.6
121.10139	51.0
123.08076	6.3
123.11691	26.3
125.09644	11.1
129.09137	4.4
131.08568	9.5
133.10124	24.0
135.08067	11.1
135.11702	37.3
137.09602	6.0
137.13269	12.6
139.11203	10.3
143.08571	5.5
145.10156	12.2
147.11673	17.0
149.09654	3.6
149.13254	20.4
151.11226	6.1
153.12788	9.6
155.08636	3.2
157.10182	7.8
159.11725	13.2
160.71063	2.8
161.09644	4.9
161.13268	14.6
163.11275	5.3
163.14838	13.4
165.09123	4.8
165.12785	4.4
167.05591	9.6
169.10144	4.6
170.10880	4.6
171.11737	6.7
173.13287	9.4
175.14842	8.2
177.12852	5.2
177.16396	8.6
179.14450	3.3
181.15898	6.2
183.11754	3.9
185.13321	4.0
187.14847	7.3
189.12798	6.1
189.16443	6.5
191.10796	3.2
191.14365	3.4
191.18040	6.3
193.15897	6.8
195.17543	6.1
201.12764	2.9
201.16417	6.1
203.10582	3.1
203.14284	6.6
205.12276	4.1
205.15727	4.0
207.17494	5.3
209.15334	2.8
217.15942	4.0
221.15416	6.2
222.37204	2.9
224.93527	3.1
225.04443	3.5
229.19418	3.1
233.22580	14.3
247.17169	3.3
251.23683	19.0
261.22195	4.7
279.23135	14.4
287.20163	4.1
297.24698	3.7
315.25293	75.0
316.25549	5.6
353.26837	32.4
359.02881	8.6
363.27005	4.9
371.27951	30.4
372.28479	4.8
391.26166	4.4
409.31573	5.4
427.27808	3.4
427.31821	11.5
445.25278	10.1
445.32291	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.6
55.01873	5.1
55.05514	54.8
57.03440	34.4
57.06794	1.9
57.07078	37.8
58.35874	1.6
59.05005	3.6
65.03952	1.7
67.05506	69.1
69.03422	2.4
69.07069	85.2
69.68801	6.7
71.04990	7.2
71.08276	2.6
71.08633	24.7
73.04762	3.3
73.06583	3.6
75.04485	7.7
79.05495	31.2
81.07059	96.1
82.07409	2.2
83.04996	6.8
83.08622	60.2
83.09121	3.1
84.53944	1.4
85.06554	6.8
85.10188	13.5
85.59454	1.5
91.05463	6.3
91.05867	5.0
93.07048	46.8
95.04974	3.2
95.08611	100.0
96.08910	1.8
97.06528	24.3
97.10174	41.8
97.10766	2.6
99.08104	4.4
99.11784	1.8
101.06047	3.2
105.07053	8.7
107.08599	36.2
109.06535	2.1
109.10159	42.6
110.10512	1.8
111.08089	17.3
111.11713	7.9
113.06023	1.9
113.09604	1.6
115.07580	5.3
117.07030	3.3
119.08578	13.5
121.06574	1.6
121.10143	46.9
123.08099	3.1
123.11704	21.2
125.09643	12.1
125.13262	1.9
129.09149	5.3
131.07063	3.9
131.08568	5.6
133.10146	12.3
135.08073	3.0
135.11697	36.0
137.09644	2.1
137.13249	11.6
139.11160	12.5
143.10699	4.0
145.10161	5.5
147.11687	9.2
149.09721	2.0
149.13266	20.1
151.11192	3.4
151.14835	5.5
153.12714	8.8
157.12270	2.7
159.11679	4.9
161.13268	10.1
163.11227	2.8
163.14830	14.5
165.12798	3.8
167.05577	2.3
167.14374	8.5
171.11739	3.4
171.13832	4.2
173.13339	3.3
175.14873	4.3
177.16417	7.9
179.14346	5.2
181.15942	4.9
185.15436	3.5
187.14835	3.3
189.16342	2.6
191.14354	1.8
191.17912	2.5
195.17488	5.0
199.14832	1.9
199.17015	2.1
205.15976	2.8
207.99136	1.5
221.40327	1.6
223.17172	1.8
225.04355	1.7
233.22650	21.2
243.21130	2.6
251.23688	22.5
261.22101	9.5
268.55762	1.6
269.24829	2.8
279.23221	15.4
280.23471	2.3
297.24356	5.4
315.25299	91.5
316.25668	6.5
353.26953	40.5
354.27356	3.2
359.02734	2.9
360.02667	1.8
371.27939	52.7
372.28333	3.5
427.30771	16.7
428.31033	1.4
437.91641	1.5
445.25626	9.3
445.31628	29.5
446.32037	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	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01891	2.6
55.05515	26.5
57.07065	10.5
62.92924	2.3
67.05511	38.7
69.03429	7.0
69.07072	41.0
69.16013	20.1
69.34395	2.2
71.01340	3.9
71.05006	5.1
71.08643	2.9
73.04750	3.0
78.00011	2.6
79.05492	26.2
81.07063	88.0
82.07379	3.2
83.04998	3.7
83.08616	14.8
85.06548	39.9
91.05459	31.3
93.07046	68.4
95.04971	7.4
95.08613	85.3
97.06535	8.3
97.10166	10.8
98.22635	5.8
99.08099	11.3
101.06026	3.6
105.07030	67.7
107.08602	100.0
108.08923	4.2
109.06512	9.5
109.09443	5.0
109.10160	75.7
111.08112	9.8
111.11691	2.8
117.07039	12.8
119.08586	96.8
121.06505	5.2
121.10141	81.9
123.08069	7.8
123.11709	44.3
125.09605	23.1
127.07571	19.9
129.07048	7.6
130.07750	3.2
131.08574	30.0
133.10130	75.6
134.10426	3.5
135.08011	6.0
135.11699	62.4
137.09639	10.1
137.13264	15.5
138.11032	2.6
139.11139	11.9
141.06940	3.1
142.07787	5.0
143.08572	11.2
144.09314	5.9
145.10126	43.3
147.11696	64.4
148.12088	4.5
149.09648	6.6
149.13254	28.9
151.11249	5.7
155.10698	5.8
157.10120	16.5
158.10678	3.0
159.11682	64.4
160.12241	2.9
161.09639	6.2
161.13258	39.9
163.11203	22.7
163.14862	17.7
165.09122	3.4
165.12737	7.4
169.10098	3.9
170.10887	3.2
171.11674	11.9
173.13254	26.9
175.11198	4.5
175.14842	26.5
177.12741	28.7
177.16423	10.9
179.10730	3.8
181.12231	4.9
183.11687	8.2
185.13255	14.0
187.11075	2.9
187.14830	28.9
189.12695	2.7
189.16406	53.1
191.14279	7.0
191.17986	21.7
193.15913	2.6
195.13812	4.1
197.13370	4.6
199.14828	12.7
201.16367	26.8
203.14383	4.6
203.17996	24.9
205.15948	5.8
207.17485	3.5
209.13350	2.6
209.15298	4.0
211.14856	7.0
213.16345	18.3
215.17929	16.7
217.15892	6.8
217.19571	7.3
219.17281	4.0
225.16429	4.8
227.17966	11.1
229.19519	15.9
231.17557	6.0
231.21056	5.4
233.19012	3.2
239.17981	5.7
241.19559	6.9
243.21036	5.9
249.18594	3.2
253.19508	3.6
255.21083	5.3
257.22617	13.6
259.24219	3.4
269.22644	12.1
273.22186	3.6
275.20026	3.0
281.22696	3.5
285.22192	4.9
285.25717	10.4
289.21643	3.0
337.28809	3.5
339.30356	5.9
349.28934	23.2
350.29697	2.9
355.29944	5.7
357.31729	3.9
367.30035	38.1
385.31339	14.3
385.35663	3.7
409.31003	28.5
409.35376	4.0
415.32034	3.6
427.32056	79.3
428.32318	8.1
430.34222	2.6
445.33212	54.0
446.32736	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.9
55.05513	11.2
57.07079	5.4
61.34597	0.6
67.05508	6.7
69.07072	18.5
71.08619	2.6
79.05488	2.2
81.07056	8.9
83.04967	0.7
83.08622	9.6
85.06552	1.1
85.10175	0.8
91.05473	2.4
93.07062	4.3
95.04973	1.2
95.08607	9.5
97.10159	5.4
98.45678	0.6
104.45271	0.6
105.07039	3.0
106.71883	0.5
107.08596	6.0
109.10168	8.5
111.08131	0.8
111.11761	2.6
117.06977	0.6
119.08580	5.2
121.06509	0.6
121.10148	4.0
122.07273	1.1
122.10462	0.7
123.08084	0.8
123.11718	3.0
125.06034	0.7
125.13335	0.8
131.08566	1.9
131.40657	0.7
133.10123	3.2
135.08046	3.8
135.11684	1.9
137.09631	10.2
137.13245	2.7
139.07552	1.6
143.08650	0.7
145.10112	1.4
149.09613	10.0
149.13246	1.5
150.38449	0.5
151.07559	1.5
151.14845	0.7
153.09006	0.7
156.09419	0.8
157.10057	0.9
159.11696	1.9
160.08878	0.8
161.09636	1.1
161.13377	0.8
163.11200	9.7
163.14848	0.7
165.09122	100.0
166.09467	3.5
171.11781	0.7
173.09622	0.9
173.13402	0.6
175.11189	3.0
177.09088	5.9
177.12761	1.3
177.16251	0.7
179.10709	0.9
181.08589	1.1
187.11235	1.6
189.07521	0.7
189.09175	2.0
189.12785	1.4
189.16428	0.8
190.09999	0.7
191.10674	5.4
199.11198	2.8
201.12695	1.2
203.10632	4.9
203.14319	1.5
205.12257	7.5
205.19499	1.6
215.14203	0.6
217.12297	1.2
219.13828	2.2
233.15358	0.7
240.95978	0.6
289.21643	0.8
373.14090	0.8
387.16122	1.7
388.16559	0.7
399.32660	1.0
401.12894	0.6
401.17758	1.3
402.18665	1.0
415.15576	2.0
417.20813	0.6
427.35837	4.6
429.16803	1.3
430.17789	2.3
431.18338	1.1
445.20190	19.1
445.31378	0.6
445.36792	6.9
446.20740	7.8
446.37241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.3
57.03450	2.2
57.07079	5.8
59.02252	1.4
59.05054	1.6
67.05508	19.7
68.59872	1.3
69.07066	26.2
69.81867	6.2
71.04974	2.2
71.08636	2.6
76.31699	1.7
79.05498	14.0
81.07060	42.1
83.08615	11.3
85.06551	3.6
91.05438	10.5
93.07050	27.6
95.04984	5.0
95.08611	95.8
97.06535	16.8
97.10176	5.8
99.08104	6.7
101.99130	1.5
105.07027	32.1
105.07666	2.2
106.07380	1.7
107.08596	46.1
107.09274	3.2
109.06505	4.8
109.10162	41.1
111.08093	6.3
111.10996	2.0
111.11716	14.7
113.09657	2.3
117.07043	4.5
119.08590	39.4
120.08921	1.7
121.10147	47.4
122.10519	2.9
123.08057	12.8
123.11706	26.5
125.09673	5.2
131.08565	12.1
133.10127	30.9
134.10495	2.6
135.08066	5.7
135.11699	36.0
136.12108	2.0
137.09647	4.7
137.13304	5.2
139.07556	2.2
139.11206	2.6
143.08557	2.2
145.10129	25.4
147.11708	14.7
149.09622	3.8
149.13242	7.9
151.11267	2.1
157.10179	4.6
159.11702	39.9
161.09624	2.5
161.13249	14.6
163.11203	6.1
163.14853	4.2
171.11783	1.9
173.13275	10.6
175.14827	15.5
177.12793	4.0
177.16438	3.8
179.14359	4.5
189.16391	16.1
191.17949	97.8
192.18329	3.9
201.16397	30.1
202.16837	1.6
207.13939	1.9
207.17465	9.7
209.19003	100.0
210.19438	4.2
217.15935	2.6
217.19542	1.9
219.17484	22.9
231.17442	3.8
235.16972	4.1
237.18523	33.6
249.18555	4.3
357.28101	1.6
411.36526	2.9
427.36017	3.8
445.36972	45.4
446.37057	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03191	1.3
53.03952	2.5
54.25151	1.3
55.05508	14.9
57.03443	1.4
57.07063	6.6
57.64740	1.3
65.03928	1.6
66.66326	1.3
67.05507	21.3
69.03409	1.5
69.06725	2.4
69.07071	33.4
69.12160	11.8
71.05004	3.9
71.08642	3.2
79.05482	15.9
79.05833	1.2
80.89242	1.3
81.07061	52.9
82.07391	2.3
82.91692	1.2
83.04971	4.1
83.08617	17.8
85.06544	7.0
85.89354	1.4
91.05442	10.5
93.07042	32.5
94.07387	1.6
95.04989	8.4
95.08606	100.0
96.08947	3.1
97.06529	19.3
97.10187	8.5
99.08107	6.3
105.07029	30.2
107.08593	52.0
108.08971	2.0
109.06549	6.0
109.10159	44.6
111.08092	13.3
111.11731	12.9
117.07024	4.9
117.60782	1.5
119.08586	42.6
121.06499	3.8
121.10145	47.6
123.08059	11.0
123.11700	31.7
125.09647	4.0
130.07822	1.7
131.08569	10.8
133.10141	28.3
134.10474	2.3
135.08083	4.0
135.11703	39.1
137.09631	5.3
137.13248	10.8
139.07553	11.1
139.11209	4.3
143.08562	2.5
144.09348	1.9
145.10124	21.7
147.11696	18.0
149.09663	3.6
149.13261	10.8
151.07576	2.5
151.11218	4.4
151.14850	2.6
153.12761	2.6
157.10164	3.4
158.10925	1.6
159.11702	36.6
160.12047	1.8
161.09636	2.7
161.13284	15.5
163.11215	4.1
163.14851	4.5
171.11758	2.6
173.13284	13.1
175.11269	1.9
175.14865	14.2
177.12794	4.3
177.16409	6.4
179.10693	1.9
179.14388	3.7
185.13362	1.8
187.14819	2.8
189.12802	2.2
189.16403	22.9
191.14310	1.9
191.17949	41.9
192.18361	2.8
193.12263	1.9
193.19598	1.9
195.17455	2.0
201.16385	29.9
202.16821	1.4
203.18013	2.1
207.17496	5.8
209.19005	55.3
209.21005	3.0
210.19318	2.6
217.15843	8.5
219.17451	18.7
235.16934	15.9
237.18555	13.5
243.21135	1.9
250.21732	1.7
271.20480	2.5
399.36426	1.7
409.35074	2.7
427.36368	8.0
445.36807	78.9
446.37112	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	445.3679
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.36840	1.3
55.05509	10.9
57.07095	3.9
59.05008	1.3
65.03957	1.8
67.05506	17.1
69.03422	1.7
69.07070	35.1
69.23629	2.3
69.23956	10.2
71.08639	2.1
77.59042	1.4
79.05493	12.3
81.07064	34.5
83.04980	2.7
83.08624	10.6
85.06561	3.7
91.05455	12.1
93.07044	39.6
93.07610	2.0
94.07410	2.0
95.05006	2.8
95.08613	62.2
96.08949	2.0
97.06535	7.5
97.10209	5.1
97.65084	1.3
99.08089	6.6
105.07033	31.1
106.07397	1.6
107.08600	56.9
108.52352	1.3
109.06547	6.6
109.10159	41.0
110.10504	1.4
111.04465	1.3
111.08121	5.5
111.11714	11.3
113.09712	2.5
117.07068	4.5
118.30830	1.3
119.08582	51.6
120.08937	3.1
121.06568	2.6
121.10149	48.0
121.10986	2.7
122.10551	2.0
123.08096	7.1
123.11707	26.4
123.12540	1.8
125.09654	2.5
127.07621	2.1
131.08601	7.5
133.10139	59.0
134.10507	2.0
135.08110	3.6
135.11702	61.8
136.12099	1.8
137.09691	4.5
137.13274	9.2
139.11229	2.4
143.08667	4.4
145.10117	16.2
147.08096	1.6
147.11696	41.6
148.12100	2.6
149.09654	2.7
149.13245	22.2
150.13620	1.9
150.35324	1.3
151.11198	9.6
151.14871	1.8
156.09386	2.0
157.10158	7.4
159.11731	14.4
161.09627	2.8
161.13290	16.9
163.11255	3.8
163.14835	12.1
165.12799	3.2
165.16470	1.6
167.05615	1.9
167.14322	33.5
169.10165	1.8
171.11711	7.1
173.13242	10.9
174.13885	1.7
175.11339	1.6
175.14847	7.3
177.12904	1.7
177.16418	17.3
179.14421	2.2
181.12271	1.5
183.11784	3.3
185.13249	7.8
187.14821	11.7
189.12831	3.1
189.16393	100.0
190.16850	5.6
191.18016	3.4
195.17427	9.0
197.13319	1.7
199.14926	5.7
201.16502	5.7
203.14421	1.5
203.18108	3.8
205.15977	2.4
207.17450	99.8
208.17917	5.1
211.14951	2.3
213.16388	8.8
215.18022	3.0
219.17502	1.7
221.15517	1.9
223.16960	6.2
225.16518	2.5
226.17390	2.4
227.18098	5.2
231.17436	1.5
239.17924	2.9
241.19612	2.8
243.21245	2.2
249.22350	5.9
253.19606	2.6
254.20532	2.0
259.20605	1.7
261.22391	1.7
267.21152	2.7
269.22668	49.6
270.23132	4.1
273.22134	2.0
287.20499	3.0
287.23706	54.1
288.24036	3.1
291.23367	2.4
359.02997	1.6
367.30099	2.0
381.31927	1.4
399.32428	2.2
409.30051	2.4
409.34857	31.5
409.39792	2.2
410.35193	4.0
427.36118	28.9
428.36462	3.8
445.37097	58.2
446.37036	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	445.3679
Annotation	globosterol
Peak:m/z	Relative Intensity
50.49649	0.9
53.03952	2.4
55.05266	0.9
55.05514	24.6
57.03444	4.3
57.07080	12.3
59.04993	1.8
65.03936	1.7
67.05169	2.2
67.05508	20.8
69.03443	2.6
69.07072	37.5
70.17712	0.8
70.20736	1.0
71.05011	3.1
71.08635	3.0
71.11901	1.0
71.31876	1.0
75.24976	1.0
79.05504	12.5
81.06583	2.2
81.07060	41.6
82.07356	1.1
83.05015	1.9
83.08624	19.7
85.06555	9.8
85.10197	2.0
90.07819	1.2
91.05450	12.1
93.07050	30.4
95.04983	2.9
95.08612	66.3
96.08951	2.8
97.06551	10.4
97.10169	12.5
98.98455	1.4
99.04450	2.1
99.08110	7.6
101.09679	1.0
102.46288	1.0
105.04556	1.2
105.07032	21.9
107.08598	52.6
108.08914	1.7
109.06552	2.6
109.10164	49.1
111.08099	7.2
111.11726	6.7
113.06068	1.5
113.09637	1.5
115.05579	0.9
117.07043	2.2
119.08583	29.6
121.10150	52.0
122.10487	2.5
123.08081	5.2
123.11713	35.2
124.12114	1.7
125.09645	2.9
131.08595	4.1
133.10149	20.3
134.98193	48.5
135.08098	2.7
135.11696	37.3
135.12651	2.4
136.12056	1.5
137.09660	3.3
137.13263	9.8
138.78661	1.0
139.11206	3.1
143.08595	1.9
145.10150	10.0
147.11699	14.8
149.09653	3.4
149.13258	13.6
150.13693	1.3
151.14841	13.4
152.99232	1.4
153.09181	1.7
153.12738	13.5
155.01097	1.7
157.10220	3.0
159.11711	10.5
161.09508	1.1
161.13263	19.2
162.13554	1.4
163.11244	2.9
163.14825	22.1
165.12753	1.5
165.16403	6.8
167.10730	4.7
167.14383	1.1
169.10187	1.4
171.11707	2.2
173.13342	3.8
175.14842	6.6
177.12839	1.9
177.16405	18.9
179.14337	5.0
181.12338	1.4
183.04262	2.3
187.14838	10.2
189.16374	9.5
191.14369	1.3
191.17964	25.1
195.17487	5.4
197.15430	2.9
199.15018	2.1
201.16373	6.7
203.18002	6.8
205.15872	12.6
205.19652	1.5
207.17535	2.8
209.19125	1.5
213.16501	1.4
215.17990	1.8
217.15935	1.2
217.19566	9.6
219.17442	7.8
220.17863	1.2
223.16936	100.0
224.17290	5.8
229.19563	2.0
231.21201	3.7
233.19238	1.2
237.18488	14.6
238.18990	1.6
241.19569	1.5
243.21144	2.1
247.20570	1.6
251.19969	1.7
255.21089	1.7
257.22855	2.8
259.20648	1.3
273.22253	1.6
287.84143	1.1
311.25784	17.7
311.28864	1.4
312.26050	1.6
333.24176	4.2
346.79495	1.2
359.03049	1.6
381.35361	4.0
385.31082	2.8
399.32361	1.7
399.36841	1.7
409.35025	7.7
427.36017	28.8
428.36328	3.8
445.23523	21.2
445.37000	59.8
446.23764	1.7
446.37189	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	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.7
55.01867	12.5
57.03446	7.2
60.04529	2.6
61.02929	7.6
63.70306	1.7
65.69301	1.3
66.97305	1.3
67.05502	1.8
68.99779	4.6
69.03435	40.7
69.30176	2.7
69.30573	9.2
71.05000	7.5
73.02919	11.8
73.04742	3.4
80.05037	1.4
80.40125	1.4
81.03419	40.6
81.07030	1.6
83.01338	2.5
85.02906	100.0
86.09679	1.6
87.00830	39.1
87.04480	2.3
87.06435	1.4
91.03945	2.5
91.05419	8.5
93.07043	9.4
95.04973	3.6
97.02887	36.1
98.06025	2.9
98.17127	1.6
99.04459	22.0
103.03918	1.8
103.05451	8.6
105.01865	33.1
105.06995	2.3
108.04482	15.5
109.02886	40.4
115.05470	3.0
117.01831	5.4
117.07027	3.6
120.91076	1.6
121.06520	15.3
126.05518	6.5
127.03919	68.8
128.04315	2.0
129.01839	4.2
131.04971	1.7
133.06541	2.9
137.05885	1.7
145.04964	32.9
145.06470	3.0
147.02879	2.5
147.08020	1.6
149.05977	26.8
150.06284	1.5
159.02896	22.2
161.05992	1.9
165.05473	1.4
167.07043	10.5
173.05980	4.8
181.08609	79.2
182.08920	2.9
187.07501	2.0
189.03922	3.8
191.07047	4.5
193.08589	12.0
200.70915	1.6
205.08545	3.7
207.10153	4.6
213.03891	2.9
221.58815	1.4
223.09633	6.3
230.06659	3.7
231.05025	12.4
235.09596	2.4
239.07106	2.7
248.07640	5.7
261.11292	2.0
266.08765	1.7
271.09708	4.3
289.10678	4.0
307.11661	3.9
314.68887	1.6
350.24142	1.5
360.02945	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	446.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.0
55.01871	9.6
55.05508	3.3
57.65616	2.2
60.04533	2.9
61.02927	3.0
67.05512	4.0
68.99793	5.0
69.03432	8.0
69.07079	2.3
70.06593	6.1
71.04993	15.4
71.30936	3.9
72.08163	14.8
73.04768	7.4
77.03890	2.3
79.05486	19.3
81.03397	4.8
83.04975	4.8
84.04503	3.4
84.08147	5.0
85.02906	17.7
85.06548	3.3
85.43147	2.1
86.09712	55.4
87.05592	2.9
87.10046	7.0
91.05391	4.2
91.05826	9.7
93.07064	16.1
95.04976	9.4
97.02912	6.7
99.33514	2.5
103.05465	21.0
105.03394	8.3
105.07041	7.9
107.04961	4.7
109.02891	8.0
109.06544	2.5
111.04499	3.3
115.05471	8.4
117.07019	4.1
119.04985	3.1
119.08581	4.5
121.02815	2.3
121.06523	15.3
125.02410	4.3
127.03888	4.3
127.07521	3.0
128.06230	31.4
129.07031	17.1
129.10225	4.5
131.04927	39.0
131.08528	2.3
133.06500	2.8
137.06018	6.3
141.06984	3.1
142.07780	8.4
143.08566	21.2
145.04996	3.0
145.06497	6.3
147.08046	5.0
149.06053	7.5
152.06244	7.4
153.07014	3.5
155.06024	2.7
157.10146	7.8
161.06024	5.9
161.09579	5.0
163.07555	13.2
167.05592	5.5
167.07114	6.1
167.08611	6.3
169.06517	4.0
171.08069	100.0
172.08463	5.1
173.05954	3.7
173.12946	4.2
185.09596	13.8
185.16565	3.0
187.07550	3.0
189.09142	8.8
201.12436	6.9
213.09134	4.7
226.09557	2.6
231.10129	12.8
233.14949	2.9
246.14572	2.5
247.13048	2.9
249.11363	6.6
359.03128	5.0
360.02789	10.6
361.02661	3.4
446.19879	3.1
447.16293	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2608
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
51.10883	0.2
53.03949	0.3
55.01864	0.5
55.05499	0.3
56.05031	0.4
57.03440	0.5
60.04530	3.2
61.02930	0.6
67.05500	0.5
69.03440	1.0
69.07071	4.4
70.02945	0.5
70.05689	0.2
70.06593	0.5
71.04994	0.4
71.31028	0.2
72.08153	2.1
73.02919	2.4
73.04757	0.7
73.08466	0.3
74.02443	1.4
79.05488	0.5
81.03423	0.4
81.07042	0.4
84.04498	0.3
84.08138	0.7
85.02902	2.8
86.09707	100.0
87.04462	0.3
87.05594	6.7
87.10030	2.3
88.03983	0.9
91.05875	1.1
92.05726	0.2
93.07034	0.2
94.06578	0.3
97.02899	1.5
99.04482	0.2
103.05481	0.3
107.25793	0.3
109.02906	0.3
110.09676	0.3
115.03901	0.5
116.03417	0.9
121.02867	0.2
122.06042	0.2
124.07613	0.4
125.10749	0.3
127.03909	1.1
127.12340	0.3
128.10741	1.5
129.10223	0.3
131.04944	1.0
132.54291	0.2
133.06084	22.5
134.06447	0.3
138.09146	0.6
143.11786	0.4
145.02896	0.2
145.04979	1.2
145.06061	0.2
145.06435	0.2
147.07759	0.4
150.05527	0.8
153.10159	0.2
155.11745	1.3
156.10172	0.2
163.06036	0.4
163.07367	0.2
167.05545	0.5
167.06989	0.3
173.12865	16.1
174.13202	0.5
177.05492	0.7
183.11311	4.0
187.14478	0.2
195.01114	0.3
201.12349	10.0
202.12540	0.3
213.09135	0.3
215.13878	0.2
228.13326	0.3
229.11826	3.2
231.10226	0.4
246.14505	15.6
247.14917	0.4
251.17657	0.5
259.08203	0.2
268.20438	0.2
284.09293	0.3
296.16388	0.4
296.19711	8.2
297.19943	0.7
298.14108	0.3
314.20804	0.7
315.16754	0.5
316.15103	0.4
333.17712	3.2
360.02808	0.6
402.18402	0.2
402.25165	0.2
428.25244	0.5
429.23386	0.4
446.16873	0.5
446.25595	1.3
447.17508	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	447.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39292	0.5
53.03942	2.2
55.01865	0.7
55.05514	6.6
57.03429	1.2
57.07083	3.3
57.38156	0.6
58.10916	0.5
59.04972	0.5
67.05498	2.7
68.99783	0.8
69.03429	3.5
69.07053	2.0
70.38271	0.5
71.04986	1.8
71.30749	1.1
73.02918	0.8
79.05497	2.5
81.03426	2.8
81.07050	4.2
83.04986	3.6
83.08617	1.0
85.02898	5.2
85.06533	2.0
87.00798	2.7
91.05467	2.3
93.07052	6.5
95.04959	1.3
95.08607	6.8
97.02901	3.3
97.06548	3.0
99.04432	1.4
100.11246	0.8
105.01870	2.8
105.07039	2.7
107.04917	0.7
107.08593	8.7
107.57852	0.5
109.02880	4.2
109.06500	1.9
109.10166	2.7
110.32988	0.5
111.04446	33.8
111.08070	1.8
112.04749	0.6
113.06001	0.7
117.07037	1.2
119.08571	1.8
121.06525	1.7
121.10129	1.4
123.08035	0.8
123.11715	0.7
125.05990	15.0
127.03905	4.8
127.07497	0.7
130.07762	1.0
131.08530	1.1
133.10141	0.6
135.08055	5.7
135.11691	8.9
137.09622	0.5
137.13211	0.8
139.07570	1.8
143.08501	0.9
145.04938	0.9
145.10135	6.1
153.12762	2.1
153.45274	0.5
159.02937	0.7
159.11688	1.3
163.11180	9.4
165.09164	0.7
181.12231	100.0
182.12604	4.8
199.13280	5.9
199.14934	0.7
210.14828	0.7
231.05032	0.9
257.04422	0.9
316.93286	0.6
330.27142	0.6
361.02554	0.7
411.28894	0.8
471.07446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
55.33419	0.5
57.02378	0.6
57.03441	1.7
57.07081	9.0
59.05649	0.5
64.69850	0.6
67.05506	3.2
69.07064	1.9
69.20159	4.2
71.08640	5.5
79.05469	0.8
80.93716	0.6
81.07069	4.9
83.08620	2.6
83.39096	0.6
85.10208	3.5
89.06032	0.6
92.33414	0.6
93.07038	0.7
95.08606	4.0
97.10162	1.6
105.07001	0.7
107.08594	1.2
109.10166	2.1
121.10135	0.6
125.13271	0.7
131.08684	0.8
134.98195	21.7
159.93468	0.6
175.78154	0.6
176.99280	0.8
195.06512	0.8
207.89711	0.6
209.01906	4.5
313.27408	12.7
314.27866	0.9
335.25555	0.9
353.26788	2.7
354.27228	0.7
356.84082	0.6
415.22400	2.6
429.23547	3.4
447.24835	100.0
447.34827	3.9
448.25241	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	447.2483
Annotation	MC-207,110
Peak:m/z	Relative Intensity
51.29560	0.3
55.05512	0.8
57.03428	1.1
57.07078	6.9
65.46683	0.4
67.05502	1.7
69.07070	1.5
69.26513	0.4
69.26852	2.6
71.08633	4.5
71.76852	0.3
73.26317	0.4
79.97112	0.4
81.07049	2.0
83.08632	1.3
85.10191	2.7
92.17525	0.3
95.08605	3.0
97.10189	0.6
98.22626	0.9
109.10172	1.0
110.14079	0.4
118.54204	0.4
121.10204	0.4
123.11739	0.5
134.98192	21.3
142.52879	0.4
176.99272	1.0
178.20935	0.4
209.01871	3.9
211.09157	0.4
250.36697	0.4
313.27380	13.7
314.27716	1.0
322.74939	0.4
335.25565	1.1
353.26599	4.0
415.22333	2.2
429.23749	3.7
447.24838	100.0
448.25134	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	447.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01879	5.9
55.05511	24.2
57.03437	24.2
57.07079	9.2
59.77682	2.2
64.28662	2.4
67.05510	50.0
69.07073	24.8
70.45123	3.2
70.45484	6.2
71.08628	2.6
79.05487	27.9
81.07063	56.4
83.08623	18.4
91.05475	17.6
93.07047	37.9
95.05039	2.0
95.08609	41.0
95.38071	2.1
97.06536	3.0
97.10167	4.5
98.98454	20.8
105.07040	16.1
107.08594	23.9
109.10154	22.9
111.08031	3.8
113.00021	100.0
117.06993	2.7
119.08554	12.8
121.10154	22.9
123.08064	4.6
123.11710	16.7
131.08595	9.6
133.10115	10.3
135.08086	3.2
135.11676	13.5
136.99991	21.1
137.13229	3.1
145.10143	5.3
147.11703	8.4
149.13306	10.2
155.01070	15.2
159.11713	4.0
161.13280	9.0
163.14815	4.3
169.02612	20.2
171.11679	2.7
171.58232	2.2
173.13271	6.2
175.14774	4.1
177.16422	3.5
187.03725	10.0
187.14973	2.8
189.16397	4.8
193.02612	3.2
201.16608	2.5
208.83197	2.3
237.22124	3.9
243.21141	5.8
261.22125	18.2
279.23270	2.6
291.22995	2.7
311.25974	11.8
317.24814	4.8
335.25815	80.3
336.26050	3.4
447.24811	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	447.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01880	6.4
55.05510	32.1
57.03445	20.5
57.07084	13.1
67.05509	54.4
68.05840	2.6
69.07072	48.9
69.07418	4.3
69.14825	15.0
69.57138	2.1
71.05008	3.8
71.08633	4.9
79.05502	31.4
81.06580	4.6
81.07061	95.9
83.04987	6.7
83.08623	30.0
85.06538	3.5
85.10146	3.0
91.05456	20.9
93.07051	48.7
95.04967	4.1
95.08609	100.0
96.08948	4.0
97.06596	5.3
97.10188	14.7
98.98451	19.5
105.07022	25.1
107.08604	63.8
109.06538	6.8
109.10157	72.4
110.10490	4.8
111.08086	2.7
111.11739	6.4
113.00019	74.4
116.65700	2.0
117.07035	6.1
119.08581	37.7
120.08923	2.3
121.06515	4.1
121.10146	57.7
123.08104	8.2
123.11711	95.0
124.12086	4.4
125.09654	4.7
131.08580	14.4
133.10132	29.7
135.08073	3.1
135.10777	4.2
135.11699	33.3
137.00011	23.3
137.09654	7.3
137.13278	11.8
139.11188	4.9
143.08617	4.1
145.10109	21.3
146.10573	2.2
147.08015	3.3
147.11682	20.7
149.02325	3.6
149.09639	10.0
149.13269	13.2
151.11116	5.5
151.14859	13.8
153.09140	3.4
155.01045	16.6
155.08516	2.7
157.10089	4.7
159.11708	22.6
161.09631	4.0
161.13237	14.2
163.11200	3.7
163.14856	14.7
165.09058	3.0
165.12766	5.1
165.16389	3.3
167.10645	4.2
169.02621	18.8
171.11719	6.4
173.13246	10.9
175.11230	3.2
175.14832	29.8
176.15326	2.3
177.12823	3.8
177.16385	32.7
179.14363	4.0
185.13257	5.4
187.03697	8.8
187.14944	11.0
189.12808	4.3
189.16449	11.2
189.59328	2.3
191.14359	6.6
191.18010	7.5
193.02730	3.9
193.12070	2.3
193.15887	4.3
199.14885	5.4
201.16420	13.6
205.15916	7.4
205.19490	2.9
209.15277	2.5
213.16402	3.8
215.17957	13.6
217.15816	3.6
217.19627	3.3
219.21185	3.5
221.15477	12.2
222.11081	2.3
223.16890	3.2
231.17416	4.2
237.22157	4.8
241.19499	3.1
243.21098	9.1
245.22720	9.0
249.18567	2.8
259.20605	3.4
261.22137	14.4
273.15085	2.2
277.21701	5.0
279.23318	4.5
291.23221	3.1
305.24875	2.7
311.25839	17.3
317.24838	6.9
335.25845	56.6
336.26367	3.0
365.32169	6.5
383.33084	38.0
384.33124	4.8
401.34082	18.6
411.32617	41.8
412.32825	6.5
429.28113	2.7
429.33737	43.8
430.33920	7.8
447.24524	18.4
447.34464	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	447.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01882	8.1
55.05518	31.3
57.03445	17.4
57.07087	20.7
59.04994	2.6
64.93628	2.2
65.03951	2.5
67.05510	34.7
69.03439	3.9
69.07074	44.1
71.04990	4.8
71.08627	7.7
71.31757	2.9
74.10851	2.2
77.03913	2.3
79.05499	21.5
81.07064	57.6
82.07415	2.5
83.05002	4.2
83.08627	29.4
85.06554	10.9
85.10162	3.8
87.08086	2.2
91.05466	16.1
93.07053	47.4
94.07378	4.1
95.04987	4.1
95.08614	100.0
97.06563	7.9
97.10179	18.0
98.98477	27.6
99.08104	6.2
105.03414	3.4
105.07025	22.8
107.08602	54.0
107.09282	3.7
109.06527	7.2
109.10164	76.6
111.08112	11.6
111.08772	2.3
111.11764	5.8
113.09692	5.4
117.07033	4.0
119.08581	38.3
121.06536	3.3
121.10152	75.0
122.10519	3.5
123.08069	7.1
123.11718	39.7
124.12075	3.9
125.09669	5.4
131.08571	6.8
133.10149	40.7
135.08076	3.7
135.11707	40.4
136.99988	29.4
137.09657	5.5
137.13260	74.0
138.13683	3.3
139.11189	13.0
143.08571	2.9
145.10159	17.1
147.11687	19.9
149.02274	2.3
149.09613	3.5
149.13268	26.7
151.07561	2.1
151.11172	5.0
151.14857	7.0
153.09085	2.3
155.01039	21.7
157.10165	5.2
159.11703	16.6
161.13310	16.8
163.14851	8.6
165.12781	3.1
165.16400	11.2
169.10226	3.0
171.11700	5.8
173.13263	19.6
175.14825	22.3
177.12708	3.8
177.16408	7.2
179.14342	6.5
179.18015	4.0
185.13275	5.2
187.14847	14.5
189.16411	14.7
191.14325	2.5
191.18018	6.8
193.02649	4.2
193.10223	2.7
193.15875	4.9
197.13290	3.9
199.14914	3.8
201.16422	9.0
203.17993	4.0
207.13812	3.3
207.17458	5.7
211.03711	4.5
211.14821	2.9
215.18001	7.5
219.17403	2.6
223.16908	2.9
229.19542	7.0
233.18930	3.4
237.22173	7.1
247.20403	2.5
255.21037	3.1
273.22137	3.2
275.23752	3.5
289.21463	2.7
289.25204	4.3
311.25824	21.9
369.31805	2.7
371.33313	3.3
411.36786	26.8
412.37091	2.9
429.33459	7.7
429.37985	5.1
447.24841	31.2
447.29861	3.3
447.38736	59.7
448.38501	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	448.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
56.05045	2.0
60.04526	80.6
70.06588	4.0
70.35963	2.6
70.95723	1.4
72.04505	1.4
72.08133	1.5
79.05489	5.3
79.51266	1.5
85.06543	1.5
86.09721	6.0
90.05556	6.6
91.05479	2.9
95.04985	1.7
103.05450	7.8
105.07031	68.6
106.07362	1.9
115.05462	16.1
118.04176	5.0
119.78569	1.2
120.08149	1.7
130.71681	1.3
131.04929	3.6
132.05695	1.8
133.06490	61.8
134.06802	2.3
137.05983	5.0
143.06049	5.9
161.05980	100.0
162.06340	3.8
166.42831	1.2
177.05460	5.1
191.06979	1.4
193.08606	51.3
194.08978	2.4
203.91498	1.3
220.09758	1.8
238.10722	1.8
256.11807	60.0
256.14539	3.0
257.12177	3.3
281.16632	1.2
287.05447	3.2
448.16492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01878	7.1
62.80195	3.6
65.03951	7.4
67.05508	10.7
69.03428	8.2
69.22453	18.1
69.22864	8.6
70.06604	5.3
71.04986	15.6
72.08165	11.7
72.21415	4.2
75.96116	3.5
79.05505	15.0
81.03416	7.3
81.07066	8.0
83.04989	5.8
84.04497	4.8
84.08151	9.1
85.02902	21.2
86.09714	18.6
91.05461	49.6
95.04995	18.4
96.73434	4.1
97.02924	5.5
98.22589	7.7
103.05447	8.9
105.07040	19.2
109.02863	9.4
109.06561	7.1
115.05448	45.7
117.07034	32.8
119.04925	8.2
119.08556	7.8
127.07583	9.6
128.06236	57.9
129.06996	13.2
131.08591	13.8
133.06522	4.9
135.08057	4.3
141.07028	11.2
142.07829	5.8
143.08606	13.9
145.05415	4.9
145.06456	26.7
145.10236	5.0
152.06218	5.5
153.06961	5.2
157.06487	4.4
159.08069	8.7
161.09608	4.8
171.08057	15.6
187.11124	8.1
215.10686	11.1
233.11734	100.0
342.60452	4.2
449.14368	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	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01603	2.4
55.01873	45.7
55.05520	4.4
57.03442	2.8
57.04923	1.9
60.04525	7.6
61.02918	2.5
65.03931	1.8
67.05497	6.1
68.99773	2.6
69.03426	6.7
69.07077	5.2
69.19129	1.7
70.06592	4.5
71.04998	15.8
72.08158	2.2
73.02927	6.8
79.05498	8.4
81.03432	6.4
81.07068	3.6
83.04986	3.7
84.04522	2.0
84.08138	3.7
85.02908	14.4
85.06557	3.2
86.09695	12.9
87.10026	3.5
91.05453	11.3
93.07053	10.1
95.04942	3.4
95.08597	2.5
97.02887	9.5
97.06545	3.8
99.08097	4.1
103.05450	2.6
105.07028	13.8
107.04965	7.2
107.08568	3.3
109.02901	3.0
111.04490	5.1
111.08082	100.0
115.03889	2.4
115.05439	3.0
117.07031	7.2
119.04927	3.2
119.08583	4.2
120.08100	2.4
121.06516	6.6
123.08078	2.2
125.06015	2.1
125.09625	3.0
127.03947	3.9
128.06233	2.5
129.07022	3.3
129.10315	2.4
131.04898	2.5
131.08571	6.5
133.04974	4.2
133.06494	4.5
133.10162	2.2
135.04420	6.6
135.08078	5.1
135.11768	1.9
137.05978	4.7
139.03963	2.5
139.07556	1.8
141.06989	2.4
143.08601	3.7
145.04977	4.0
145.06500	5.0
145.10136	6.3
147.08002	2.9
149.06003	5.0
149.09546	1.8
151.11261	1.7
153.05441	10.4
153.09096	2.2
156.10316	1.9
158.07338	1.7
159.07996	3.6
159.11751	2.7
161.06032	8.6
161.09628	4.1
163.07544	3.0
169.10089	4.3
173.09622	5.0
177.05521	4.1
187.11191	4.9
191.10704	10.9
193.08672	2.6
201.12399	4.8
202.12643	2.0
205.12280	4.8
209.11510	2.8
220.08424	2.0
229.11795	2.7
233.11723	9.1
256.11890	6.1
269.13885	9.3
287.05487	34.0
304.10876	2.0
316.36813	1.9
425.19107	2.3
449.14151	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.0
53.74076	4.2
55.01873	13.1
55.05527	6.3
57.03442	4.2
60.04532	5.7
65.03939	5.2
67.05512	16.4
69.03434	20.8
70.06605	8.2
71.04998	31.0
71.30096	4.8
72.08158	17.9
79.05498	26.6
81.03423	11.9
81.07067	16.6
82.06580	7.6
83.04996	4.9
84.08150	9.9
85.02908	40.0
86.09722	29.7
87.04506	4.2
89.03922	4.9
91.05467	56.8
92.05780	5.6
93.07072	7.8
95.04979	20.4
96.08151	9.8
97.02918	12.9
97.06525	7.8
103.05495	10.4
105.07044	24.0
107.04990	11.9
107.08649	4.8
109.02868	20.4
109.06570	5.7
115.05476	42.3
117.07022	48.0
119.04945	12.0
119.08601	11.3
120.08113	12.1
121.06512	8.7
123.04422	7.3
124.07594	44.5
127.03940	9.0
127.05480	4.7
127.07587	7.7
128.06242	59.2
128.07094	13.3
129.07013	23.2
131.04927	7.1
131.08583	8.7
133.06505	8.8
135.08128	8.1
136.07478	5.6
137.06026	7.4
138.09256	6.1
141.06981	8.1
142.07762	5.2
143.04918	7.2
143.08594	13.4
145.05028	8.6
145.06482	30.4
147.08046	6.1
149.06047	6.8
153.01735	4.3
153.06960	5.3
155.06061	6.0
159.08035	9.8
161.05998	6.4
161.09528	4.5
171.08105	14.8
173.09567	6.4
177.05489	9.1
194.76442	3.8
205.08635	5.5
215.10706	7.4
233.08208	5.2
233.11731	100.0
251.09184	7.3
286.13162	5.6
287.05515	74.4
325.79236	4.3
332.13480	6.0
363.85776	4.4
448.13760	5.4
448.22617	9.0
449.16171	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.2
57.07071	2.9
67.05512	3.1
69.07071	4.6
70.98273	1.6
71.08613	1.8
81.07043	1.4
81.32968	1.0
83.08623	2.5
93.07035	2.2
95.08636	1.0
97.10155	1.9
109.10155	4.9
111.11721	1.6
118.23906	0.8
119.08591	2.7
121.06512	13.2
122.07344	1.7
123.08078	1.1
125.09659	0.8
135.08040	1.4
136.08835	13.1
137.09625	14.6
138.80182	0.8
149.09648	2.0
151.07610	0.9
152.08333	1.7
153.09061	0.9
164.08342	34.8
164.09732	1.6
165.09125	100.0
166.09465	5.8
169.76149	0.8
177.09102	1.6
182.08768	1.0
190.09943	0.9
205.12254	6.4
264.81836	0.9
287.05466	3.3
306.55014	0.9
430.38049	36.4
431.38388	3.5
448.38605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
50.30861	0.0
54.45475	0.0
55.01863	0.1
57.03423	0.1
61.02918	0.1
65.03889	0.0
65.04733	0.0
67.01538	0.0
67.01869	0.7
67.05500	0.1
68.99439	0.1
68.99783	0.6
69.03401	0.8
69.07060	0.0
71.04987	0.1
72.08171	0.1
73.02912	0.1
79.05470	0.1
81.03422	0.2
81.07050	0.1
83.04991	0.1
84.04476	0.1
85.02906	0.6
86.09692	0.1
87.04503	0.1
89.03905	0.3
89.59325	0.0
91.05481	0.1
93.07035	0.1
95.04958	0.1
95.08603	0.2
97.02877	0.2
97.06535	0.1
98.22595	0.1
99.04453	0.0
101.06017	0.0
105.07037	0.1
107.04955	0.1
107.08594	0.1
109.02863	0.2
111.00806	0.1
111.04443	0.1
117.03384	0.3
117.06980	0.1
119.08526	0.1
121.10143	0.1
123.04447	0.0
125.02357	0.1
125.06021	0.0
125.47144	0.0
127.03899	0.2
129.01807	0.2
129.07030	0.1
130.84619	0.0
131.04922	0.0
131.08601	0.1
133.10133	0.1
135.04416	2.3
136.04732	0.1
136.07544	0.2
137.02345	0.7
137.05905	0.1
145.02800	0.1
145.04987	0.1
145.10078	0.1
147.04453	0.1
149.09641	0.0
151.03871	0.0
151.07487	0.1
153.01826	7.1
154.02159	0.1
157.06464	0.1
159.11647	0.1
161.02335	0.9
164.07060	0.1
169.08626	0.1
171.02902	0.6
171.04369	0.1
173.05818	0.1
173.29523	0.0
179.03436	0.4
185.05959	0.2
189.05449	0.1
199.03940	0.1
201.05515	0.1
201.11125	0.1
203.03362	0.2
213.05472	0.2
217.04887	0.1
219.06531	0.2
227.03494	0.1
229.04930	0.1
231.06502	0.1
241.04913	0.8
241.13266	0.1
245.04398	0.2
258.05231	0.1
259.05945	0.1
263.05453	0.1
269.04376	0.5
270.04910	0.1
286.04660	0.2
287.05481	100.0
287.75610	0.1
288.05814	6.0
329.06534	0.2
332.11343	0.0
449.10757	15.0
450.11002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
53.03912	0.0
55.01864	0.1
55.33034	0.0
61.02932	0.1
63.80771	0.0
67.01862	0.7
67.05471	0.0
68.99786	0.5
69.03423	0.2
69.07047	0.0
70.06579	0.1
71.04987	0.0
71.31348	0.0
72.08131	0.1
73.02908	0.0
79.05473	0.1
81.03406	0.1
81.07039	0.0
83.10906	0.0
85.02898	0.2
86.09709	0.1
89.03893	0.3
89.29659	0.0
91.05482	0.0
95.04964	0.0
95.08527	0.0
97.02866	0.1
97.06557	0.0
105.07003	0.0
107.04948	0.1
107.08555	0.0
109.02847	0.1
111.00793	0.1
111.04449	0.1
112.16683	0.0
115.05534	0.0
117.03374	0.3
119.08519	0.0
119.64307	0.0
121.06507	0.4
125.02364	0.1
127.03925	0.1
129.01822	0.2
129.07030	0.1
129.75766	0.0
131.04939	0.0
135.04411	2.1
137.02344	0.7
139.05438	0.1
147.04361	0.1
147.08084	0.0
151.03848	0.1
153.01819	6.3
154.02173	0.2
157.06474	0.1
161.02328	0.8
165.01860	0.0
171.02881	0.6
171.04338	0.1
177.05493	0.0
179.03412	0.3
185.05933	0.1
187.84676	0.0
189.05415	0.1
195.04330	0.0
199.03839	0.1
201.05553	0.0
203.03384	0.1
203.07072	0.0
213.05455	0.2
218.05690	0.1
219.06508	0.2
223.04079	0.0
227.03458	0.0
231.06516	0.1
241.04912	0.8
242.05513	0.1
245.04469	0.1
259.06097	0.1
263.05457	0.1
269.04462	0.5
270.04843	0.1
286.04559	0.1
287.05469	100.0
287.75772	0.1
288.05798	5.4
449.10699	1.6
449.16891	0.1
450.10818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.02377	0.0
51.11879	0.0
51.12112	0.0
52.77225	0.0
53.00293	0.0
53.03938	0.0
55.01660	0.0
55.01879	0.0
56.23866	0.0
57.03423	0.0
61.02909	0.0
63.02364	0.0
65.03941	0.0
67.01857	1.2
67.05508	0.0
68.02201	0.0
68.99442	0.1
68.99776	0.9
69.03419	0.1
69.18616	0.0
69.19029	0.0
70.00121	0.0
71.04984	0.0
71.88652	0.0
71.88969	0.0
74.09687	0.0
77.03934	0.0
79.01824	0.0
79.05486	0.1
81.03412	0.1
81.07076	0.0
83.01333	0.0
85.02891	0.1
89.03897	0.4
89.36414	0.0
90.04228	0.0
91.01858	0.0
91.03938	0.0
91.05466	0.0
93.03388	0.0
93.07034	0.0
95.04963	0.0
95.08566	0.0
97.02870	0.1
103.05421	0.0
105.03360	0.0
105.07025	0.0
107.01292	0.0
107.04948	0.2
107.08580	0.0
109.02853	0.1
109.06563	0.0
109.10088	0.0
111.00786	0.1
111.04443	0.1
115.05434	0.0
117.03359	0.4
117.07017	0.0
118.03673	0.0
119.01328	0.0
119.08563	0.0
121.02856	0.0
121.10098	0.0
122.28624	0.0
123.04411	0.0
125.02376	0.1
127.03863	0.1
128.06212	0.0
129.00934	0.0
129.01820	0.3
129.07057	0.1
129.90450	0.0
131.04915	0.0
131.08571	0.0
133.02779	0.0
133.06580	0.0
133.10153	0.0
134.03740	0.0
135.04396	3.4
136.04715	0.1
137.02322	0.9
138.02678	0.0
139.05423	0.1
139.06190	0.0
141.06898	0.0
143.01291	0.0
143.03352	0.0
143.04820	0.0
143.08514	0.0
145.03949	0.0
145.06471	0.0
145.10045	0.0
147.04308	0.1
149.02312	0.0
151.03807	0.0
152.74216	0.0
153.01802	9.6
154.02150	0.3
155.04895	0.0
157.06412	0.1
157.10104	0.0
159.04579	0.0
159.11588	0.0
161.02307	1.0
161.05946	0.0
162.02632	0.0
163.03836	0.0
167.05009	0.1
169.06427	0.0
169.10193	0.0
171.02890	0.7
171.04414	0.1
172.03372	0.0
173.05838	0.1
175.03908	0.0
177.01860	0.0
177.05455	0.0
179.03377	0.5
180.03719	0.0
183.04637	0.0
185.02519	0.0
185.05898	0.2
185.13251	0.0
187.14703	0.0
189.05444	0.1
195.04344	0.0
199.03851	0.1
199.14583	0.0
201.05553	0.1
203.03345	0.2
203.07048	0.0
212.04533	0.0
213.05414	0.3
214.05925	0.0
216.04370	0.0
217.04857	0.1
218.05830	0.1
219.06477	0.2
223.04160	0.0
227.03528	0.1
229.04878	0.0
231.06342	0.1
241.04901	0.9
242.05536	0.1
244.03790	0.0
245.04314	0.2
258.05280	0.0
259.06055	0.2
263.05499	0.1
269.04382	0.7
270.04709	0.1
286.04541	0.1
286.34180	0.0
287.05429	100.0
287.75055	0.0
288.05743	6.6
332.11664	0.0
449.10742	0.2
450.10724	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
67.01874	0.6
68.03597	0.1
68.99783	0.6
69.48339	0.3
79.05490	0.1
81.03461	0.1
82.19567	0.0
89.03917	0.3
89.47677	0.1
95.05020	0.0
97.02900	0.1
107.04971	0.1
109.02916	0.1
111.00805	0.1
117.03396	0.3
129.01859	0.2
135.04424	2.3
136.04749	0.1
137.02327	0.6
139.05544	0.1
153.01830	6.5
154.02203	0.2
160.71078	0.1
161.02342	0.7
171.02931	0.5
179.03419	0.3
185.05972	0.1
189.05479	0.1
201.05376	0.1
203.03473	0.2
213.05458	0.2
219.06519	0.1
231.06549	0.2
241.04947	0.7
245.04422	0.1
257.20609	0.1
259.06137	0.1
263.05402	0.1
269.04434	0.5
287.05496	100.0
288.05823	6.4
403.15256	0.1
444.40079	0.1
449.10876	0.3
449.20050	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	449.108
Annotation	KAEMPFEROL-7-O-GLUCOSIDE
Peak:m/z	Relative Intensity
53.40044	0.0
55.01874	0.1
55.05526	0.0
65.03928	0.1
65.88887	0.0
67.01867	0.7
67.05489	0.1
68.99779	0.6
69.00120	0.1
69.03429	0.4
71.05008	0.1
71.31093	0.1
79.05481	0.2
81.03419	0.1
81.07045	0.1
85.02914	0.3
85.06515	0.1
85.93979	0.1
86.09711	0.1
89.03893	0.2
91.05490	0.2
93.07024	0.1
95.04936	0.1
97.02895	0.1
105.07029	0.2
107.04952	0.2
107.08578	0.1
109.02815	0.1
111.00790	0.1
111.04477	0.1
115.05443	0.1
117.03403	0.3
117.06970	0.1
119.08567	0.2
120.08112	0.1
121.10115	0.1
124.16803	0.1
127.03924	0.1
129.01817	0.2
129.06995	0.2
131.08572	0.1
133.10120	0.1
135.04420	2.4
137.02364	0.7
137.05998	0.1
142.07799	0.1
143.08548	0.1
145.06523	0.1
145.10071	0.2
153.01825	6.9
154.02139	0.1
154.07744	0.1
155.08490	0.1
156.09225	0.1
157.10181	0.1
159.11647	0.1
161.02332	0.7
169.06296	0.1
171.02895	0.6
171.04237	0.1
171.11597	0.1
173.13235	0.1
179.03387	0.4
183.11546	0.1
185.05943	0.2
187.14769	0.1
199.03894	0.1
199.14824	0.1
201.05490	0.1
203.03368	0.2
203.07101	0.1
213.05489	0.3
219.06572	0.1
219.13853	0.1
227.03487	0.1
231.06570	0.1
241.04909	0.6
242.05412	0.1
245.04510	0.1
259.06027	0.2
263.05429	0.1
269.04343	0.5
270.05029	0.1
286.04678	0.1
286.34235	0.1
287.05481	100.0
287.75479	0.1
288.05817	6.0
431.29181	0.1
449.10809	1.1
449.16919	0.1
449.30209	0.1
450.10602	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	449.1077
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
52.21737	0.1
61.02855	0.1
63.21135	0.1
67.01867	0.7
68.99765	0.5
69.03425	0.6
70.66279	0.3
74.67667	0.1
81.03390	0.2
81.07045	0.1
85.02857	0.4
89.03878	0.1
97.02846	0.2
107.04920	0.1
111.00768	0.2
111.04398	0.2
117.03353	0.2
127.03902	0.2
135.04424	2.4
137.02309	0.6
153.01822	6.8
161.02303	0.7
171.02890	0.4
179.03369	0.3
183.62376	0.1
185.05960	0.2
203.03510	0.2
213.05453	0.2
219.13792	0.1
241.04901	0.8
245.04338	0.1
259.05981	0.2
263.05313	0.1
269.04364	0.7
270.04965	0.1
286.04639	0.2
287.05475	100.0
288.05811	6.4
449.10767	14.4
450.11151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
55.01870	0.1
56.96555	0.4
57.03455	0.1
61.02927	0.1
67.01859	0.7
67.05516	0.2
68.99774	0.5
69.03429	0.3
69.12683	0.7
70.06580	0.1
71.05000	0.1
72.08170	0.2
73.02911	0.1
81.03411	0.2
81.07040	0.1
82.48696	0.1
83.04990	0.1
84.04516	0.1
84.08141	0.1
84.96037	0.3
85.02896	0.7
85.06579	0.1
86.09717	0.3
89.03941	0.2
91.05467	0.2
93.07043	0.1
95.04980	0.1
95.08607	0.1
97.02886	0.3
98.97575	0.2
105.07056	0.1
107.04926	0.1
107.08598	0.1
109.02876	0.1
109.10152	0.1
111.04409	0.1
112.99156	0.1
117.03367	0.2
120.08079	0.2
121.06496	0.2
124.07587	0.1
127.03901	0.2
129.01820	0.1
131.00171	0.2
135.04425	1.9
136.07547	0.1
137.02354	0.7
145.04919	0.1
149.09702	0.1
153.01831	5.6
154.02213	0.1
157.01715	0.3
161.02361	0.6
161.06024	0.1
161.39166	0.1
167.07063	0.2
168.98099	0.2
171.02907	0.4
171.04366	0.1
175.02745	0.6
179.03427	0.3
185.05878	0.1
186.99162	0.3
193.03807	0.2
203.03371	0.2
213.05437	0.1
219.06502	0.1
225.92966	0.1
241.05020	0.6
242.05539	0.1
245.04424	0.1
259.06091	0.1
269.04529	0.5
269.12744	0.2
286.04745	0.1
287.05490	100.0
288.05835	5.6
301.05789	0.6
319.06961	0.1
325.06033	0.3
329.06326	0.1
353.05621	0.1
371.06778	0.2
449.13934	0.9
449.20563	2.5
450.14688	0.2
450.20700	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	449.142
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
56.96552	1.3
70.06570	1.3
71.03867	1.3
71.04202	1.2
84.08140	1.3
85.02893	1.6
86.09664	2.7
98.97571	1.4
107.04924	3.4
116.98575	1.3
124.06503	0.8
159.38754	1.0
190.66789	0.8
237.02655	1.5
243.07909	1.0
287.05496	5.9
287.10577	1.1
386.96503	1.0
389.10532	0.9
431.14740	2.6
449.14243	100.0
450.14508	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	449.1419
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
52.82785	1.0
62.56936	1.1
69.25612	4.8
69.26020	2.4
72.67345	1.0
81.21396	1.0
85.02892	1.3
86.09693	1.6
98.97569	2.3
121.83116	1.1
143.01866	1.1
163.03900	2.3
166.69748	1.1
287.05618	1.2
320.01205	1.3
449.14145	100.0
450.14536	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	449.1419
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
50.25299	0.8
55.01874	1.0
56.34583	0.8
56.96555	1.3
57.89115	0.9
61.21228	0.7
65.32491	0.8
67.05507	1.3
69.03397	1.5
69.60939	4.1
70.06591	1.4
71.04980	2.8
72.08156	1.2
79.05519	2.1
81.03408	1.4
83.04964	0.9
84.08125	1.4
85.02892	2.7
86.09687	1.8
91.05468	3.5
95.04980	1.4
97.02839	1.2
97.06522	2.0
98.22707	1.1
98.97626	0.9
103.05427	0.9
105.07021	1.7
107.08591	0.8
117.07037	1.8
119.08633	1.4
120.08090	0.8
121.06498	1.5
124.07539	1.0
128.06201	0.9
129.07010	1.1
137.05966	1.5
147.07999	1.2
167.07045	8.9
173.09651	0.8
192.00800	0.8
235.13310	1.7
237.03006	1.0
285.46155	0.8
287.05515	5.7
370.02551	0.9
449.14166	100.0
450.14505	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	449.1422
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.82227	1.0
56.05029	1.8
56.96556	1.5
66.43297	1.1
70.06596	4.6
70.82272	2.7
72.08147	3.6
81.03391	1.3
84.04472	2.0
84.08133	4.1
85.02885	2.1
86.09712	7.3
88.03984	1.4
93.07120	1.2
97.02856	2.1
98.97608	1.2
102.05536	1.5
109.20054	1.2
110.07153	7.8
117.68156	1.0
123.04507	1.5
128.06143	1.1
137.05968	2.8
167.07054	29.7
179.52052	1.2
190.13222	1.2
197.12872	1.4
211.29848	1.1
287.05484	7.3
302.11218	1.3
426.02252	1.4
449.14243	100.0
450.14447	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	449.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01872	0.9
55.05518	5.8
57.07079	18.1
65.03944	6.0
67.01859	0.4
67.05489	0.7
68.99805	0.6
69.07058	0.7
69.18632	2.2
71.04987	1.3
79.05494	0.5
81.03429	1.0
81.07057	1.2
83.04984	53.1
83.45972	0.5
84.05314	1.0
85.06572	0.3
91.05488	5.4
93.07062	0.9
95.04972	0.7
95.08610	1.3
98.98464	5.5
101.28039	0.3
105.07022	1.7
107.04956	0.8
107.08611	1.1
109.10147	0.7
115.05441	1.5
117.07029	0.5
119.08591	1.7
121.06499	0.4
121.10146	1.1
123.08070	0.3
123.11740	0.6
128.06215	0.9
129.07039	1.9
131.08566	1.1
132.09280	0.4
133.00551	0.8
133.06531	0.4
133.10123	0.9
135.04416	2.0
135.11690	0.6
137.02342	0.6
141.06985	3.5
143.08565	0.4
145.06502	0.4
145.10123	0.7
147.08121	1.0
147.11659	3.1
151.01563	6.7
151.26770	0.3
153.01828	5.9
157.10072	0.7
159.08025	1.9
159.11642	0.4
161.09674	0.4
163.01555	3.9
169.07635	1.5
171.02899	0.6
175.01573	7.2
178.94827	0.3
181.02600	1.5
181.10155	0.3
185.05965	0.3
185.13332	0.4
187.01537	1.6
187.14799	0.4
189.12752	0.3
189.16438	0.5
209.03578	0.4
211.05295	0.3
221.03610	0.4
227.04694	2.7
227.10732	0.3
239.04755	1.5
241.05083	0.5
254.98256	1.1
260.99286	1.9
287.05493	100.0
288.05838	6.0
307.01392	0.5
337.02362	48.7
338.02762	1.4
355.03775	0.4
378.05276	0.6
387.00143	0.4
393.08624	78.0
394.08951	4.3
434.11142	1.5
449.15222	3.4
449.30856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.163
Annotation	Trp Glu Asp
Peak:m/z	Relative Intensity
56.09565	0.3
63.17323	0.3
63.52504	0.3
70.50088	1.0
72.90921	0.3
77.44066	0.3
86.09710	0.5
87.00454	0.4
98.97595	0.8
125.17518	0.4
144.27826	0.4
152.04172	0.3
154.93245	0.5
172.94383	0.3
214.95473	1.1
226.95578	0.5
232.96463	1.3
245.05104	1.1
250.97769	0.4
283.28641	0.4
283.31943	0.4
286.97504	0.6
287.05530	0.9
287.11087	1.8
334.99445	0.7
347.09561	0.6
363.09015	1.2
365.10703	0.5
389.04227	0.7
407.05359	1.5
428.59457	0.3
449.16299	100.0
450.16714	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	449.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01877	3.9
55.05518	2.2
56.83358	0.3
57.03417	1.6
57.82259	0.3
61.02903	1.1
64.13185	0.3
65.03927	1.6
65.04258	0.4
67.01849	1.2
67.05511	4.5
68.99440	0.4
68.99792	4.5
69.03433	6.3
69.07057	1.2
69.12205	3.2
71.01342	0.9
71.05002	8.8
73.02897	0.4
77.03932	0.5
79.05070	0.6
79.05496	8.3
81.02983	0.5
81.03423	7.0
81.07064	3.3
83.04995	1.8
85.02428	0.6
85.02911	9.3
85.06538	2.3
87.00829	4.1
87.04447	0.5
91.05483	10.6
92.05779	0.4
93.03385	0.9
93.06570	0.4
93.07055	6.0
95.01311	0.6
95.04974	3.8
95.08595	2.6
97.02897	2.4
97.06528	2.7
99.04437	0.7
103.03926	1.1
103.05465	2.0
105.01841	0.5
105.03387	0.6
105.04507	0.6
105.07032	6.4
107.04971	3.2
107.08579	1.7
109.02898	3.5
109.06483	1.5
109.10104	0.7
111.00757	0.5
111.04443	3.8
111.08060	1.3
113.02356	0.4
113.69955	0.4
115.03949	0.6
115.05453	3.4
116.06214	0.4
117.07028	5.5
118.07975	0.4
119.04919	1.3
119.08590	3.3
121.02872	0.9
121.06520	4.2
121.10163	1.0
123.04414	1.1
123.08073	1.9
125.05952	0.8
127.03917	3.1
128.06215	3.1
129.01804	1.1
129.07008	4.4
130.07788	0.6
131.04921	1.3
131.08577	4.2
132.05716	0.5
133.06496	2.7
133.10110	1.1
135.04410	3.7
135.08061	5.0
137.02367	0.4
137.06013	1.9
137.09616	0.7
139.07512	0.9
141.06982	2.6
142.07829	2.2
142.37268	0.4
143.08572	3.7
144.05649	0.7
145.06516	3.8
145.10124	2.6
147.04413	0.7
147.08040	3.6
147.11681	0.7
149.05959	1.5
149.09563	0.9
151.03854	0.7
151.07562	0.9
152.06180	0.6
153.01836	5.8
153.05544	0.3
153.06990	1.5
154.07703	0.9
155.08582	3.0
156.09323	0.6
157.06499	1.9
157.10155	1.9
158.07242	0.7
159.08049	2.8
159.11696	0.5
161.02408	0.7
161.05986	1.3
161.09621	1.3
163.07538	5.6
164.07986	0.3
165.05656	0.5
165.06990	2.1
165.09123	0.5
166.07753	1.0
167.07277	0.4
167.08559	2.1
168.09372	0.7
169.06473	0.9
169.10165	2.3
170.07234	0.5
171.02870	1.0
171.08087	2.4
171.11684	1.3
173.05972	1.6
173.09569	2.5
173.13260	0.9
175.07550	2.2
175.11244	0.8
177.09018	0.9
178.07803	0.7
179.07074	0.4
179.08534	1.3
181.06479	0.6
181.10136	1.4
182.10812	0.4
183.08047	1.5
183.11649	1.2
184.08763	0.7
185.05988	0.8
185.09662	2.7
185.13260	0.9
186.10423	0.4
187.07588	1.5
187.11188	1.4
187.14804	0.5
189.03929	0.9
189.05486	0.5
189.09134	1.3
191.07005	0.5
191.08566	0.6
192.09131	0.4
193.08543	0.7
193.10103	0.9
194.07288	0.5
195.08113	0.5
195.11679	1.2
196.08815	0.6
197.09621	2.2
197.13237	0.7
198.10304	0.7
199.07451	1.3
199.11169	2.2
200.08311	0.7
201.09108	2.3
201.12741	2.3
201.16446	0.5
203.06926	0.6
203.10703	0.6
203.14259	0.5
205.08511	0.9
205.10245	0.6
207.08038	0.7
207.11687	1.0
209.09572	1.3
211.07582	0.8
211.11148	1.5
213.09131	1.5
213.12747	1.7
214.09807	0.5
215.10666	1.7
215.14313	1.3
217.08630	0.8
217.12186	2.5
218.12898	0.5
219.13829	1.3
221.09633	0.8
221.13306	0.5
223.11201	0.9
225.09081	0.7
225.12729	0.8
227.10657	1.0
229.08513	0.5
229.12213	1.2
231.13837	1.4
235.11314	0.5
237.09140	0.5
237.12886	0.8
239.10730	0.8
241.05005	0.4
241.12248	1.5
243.10182	0.6
243.13855	3.3
245.15350	0.7
247.13364	0.5
253.12225	0.6
255.13835	1.2
257.11600	0.5
257.15347	0.6
259.13223	1.7
261.14850	0.5
265.12332	0.6
267.13846	0.7
271.13293	0.9
273.14859	1.6
274.15491	0.6
281.15366	0.7
283.13226	0.5
285.14771	2.2
287.05505	100.0
288.05850	6.3
291.13794	0.5
299.16324	1.2
301.14557	0.6
303.15927	3.4
309.14813	1.7
317.17441	0.4
327.15939	4.5
345.17075	2.2
363.17920	1.0
387.17953	1.0
389.15857	0.6
395.43338	0.4
405.19138	2.7
413.16071	0.6
431.17023	2.4
431.29053	0.4
449.11896	0.5
449.18057	15.3
449.30753	0.9
450.18427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.8
53.03943	5.6
53.45229	0.8
55.01873	7.5
55.05520	5.3
57.03424	2.5
61.02919	3.0
65.03944	7.0
67.05508	11.4
68.99783	5.5
69.02307	0.7
69.03434	35.0
69.07073	4.2
71.01333	1.2
71.04996	29.6
71.08997	1.8
73.97379	0.8
79.05496	16.4
81.03419	14.4
81.07067	11.0
83.04991	6.5
85.02908	10.7
85.06545	2.8
87.00839	7.3
87.04491	1.1
91.05479	25.3
93.03409	13.3
93.07037	13.8
95.01349	1.0
95.04969	13.6
95.08609	7.4
95.36874	1.1
97.02898	9.5
97.06531	6.0
98.25925	1.0
99.04453	1.8
103.03951	2.9
103.05493	4.4
105.01846	2.2
105.03386	1.3
105.04547	1.1
105.07037	18.1
107.04955	6.9
107.08604	8.6
109.02876	7.8
109.06542	3.2
109.10197	1.4
111.04440	4.5
111.08083	3.4
113.02353	1.3
115.03937	2.9
115.05450	7.3
116.06230	1.3
117.07019	13.6
119.04966	3.2
119.08580	14.3
121.02846	2.1
121.06527	5.8
121.10172	4.9
123.04411	1.5
123.08090	6.0
127.03965	4.7
128.06218	12.3
129.01877	2.0
129.07011	16.5
130.07845	1.4
131.04947	2.8
131.08582	17.3
133.06506	4.9
133.10161	4.3
135.04442	3.8
135.08041	7.4
135.11748	1.1
137.02342	1.0
137.05994	3.6
137.09644	1.1
139.01370	1.0
141.06984	9.2
142.07796	6.7
143.08575	14.1
144.05699	1.9
144.09294	1.7
145.02817	0.9
145.05031	1.9
145.06500	10.4
145.10135	11.3
146.78836	0.8
147.02960	1.1
147.04364	1.8
147.08073	6.8
147.11725	3.7
149.05971	1.3
149.09612	1.6
149.13319	1.4
151.07626	1.0
152.06223	2.5
153.01816	4.4
153.06982	7.4
153.08989	1.2
154.07765	6.3
155.06059	1.1
155.08571	12.5
156.09319	3.2
157.06517	6.2
157.10110	9.3
158.07314	2.7
158.10608	1.0
159.02933	1.4
159.08083	11.7
159.11702	5.4
161.06001	3.5
161.09650	3.4
161.13310	1.8
163.07576	3.2
165.05621	1.8
165.06979	9.1
166.07780	3.0
167.07285	1.8
167.08545	6.3
168.09375	3.9
169.06490	2.4
169.10150	9.6
170.07231	1.2
171.03014	1.2
171.08044	10.9
171.11725	5.5
172.08804	1.7
173.06020	3.8
173.09615	6.1
173.13257	4.6
175.07565	3.3
175.11258	2.4
175.14845	2.0
177.09140	1.4
177.12709	1.3
178.07771	4.4
179.07191	1.2
179.08566	5.6
180.09219	1.1
181.05042	1.3
181.06511	2.6
181.10121	4.3
182.11000	1.4
183.08064	5.5
183.11726	5.2
184.08751	1.3
185.06033	2.1
185.09630	6.8
185.13217	4.3
187.07594	6.2
187.11174	5.1
187.14772	4.2
189.09129	2.1
189.12778	1.3
189.16406	1.4
191.08713	1.2
191.14391	1.2
192.09209	1.7
193.10164	3.0
195.08089	4.8
195.11726	4.1
196.08905	2.0
197.06012	1.1
197.09583	6.6
197.13232	4.6
198.10432	2.4
199.07538	2.9
199.11162	6.9
199.14880	3.6
201.09164	3.4
201.12730	6.0
201.16481	2.8
203.14406	2.6
205.10254	1.5
207.08112	1.7
207.11778	2.2
208.08781	2.2
209.09750	3.5
209.13312	2.2
210.10350	1.5
211.07568	1.4
211.11159	4.6
211.14850	2.2
213.09180	3.0
213.12679	6.0
213.16304	1.9
214.13293	1.6
215.08929	1.4
215.10690	6.2
215.14241	4.5
216.09448	1.1
217.12308	3.8
217.15768	1.0
219.08202	1.2
219.11873	1.4
219.13857	3.2
220.08954	1.3
221.09659	2.3
221.13129	1.0
221.46860	1.0
222.10422	1.0
223.11295	2.8
223.53065	0.9
225.09149	3.0
225.12810	2.6
227.10683	2.2
229.12282	3.3
229.15894	2.1
231.05032	1.2
231.13872	2.3
235.11205	1.7
237.09135	1.7
237.12778	2.9
239.10704	2.5
239.14398	1.5
241.08589	2.2
241.12244	4.1
243.13843	5.0
249.09117	1.3
253.12329	2.2
255.13780	7.9
256.14374	1.2
257.11627	1.4
257.15436	1.2
259.13376	2.7
263.14291	1.6
267.13748	1.5
273.14865	4.8
281.15585	2.1
285.14954	2.9
287.05499	100.0
288.05881	7.7
291.13870	1.8
309.14856	10.5
327.12296	1.0
327.15839	5.0
345.16959	2.2
385.29050	1.1
387.18164	2.2
387.30548	1.0
403.30063	3.5
405.19183	2.5
413.16055	1.4
431.16928	6.3
431.29510	3.7
449.18103	33.9
449.30502	18.4
450.18558	2.6
450.31158	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81062	0.9
51.02385	1.5
53.03953	5.1
53.18601	0.8
55.01878	13.2
55.05515	5.9
55.92269	0.8
57.03435	4.1
57.07070	1.3
61.02932	4.6
65.03954	4.8
67.01884	1.2
67.05508	11.5
68.99794	8.2
69.03432	28.2
69.07066	2.6
69.84148	1.5
69.84543	2.3
71.01347	1.5
71.04601	1.2
71.04993	17.0
73.02914	3.6
79.05500	15.7
81.03418	15.2
81.07056	8.1
83.04996	7.8
85.02908	11.5
85.06552	6.9
87.00826	7.6
91.05489	22.8
93.03416	9.5
93.07045	10.4
95.04967	8.3
95.08614	4.6
97.02892	6.6
97.06539	3.2
99.04459	2.0
103.03944	2.4
103.05457	3.9
105.01891	2.1
105.03402	1.4
105.04509	1.7
105.07047	14.4
107.01337	1.0
107.04968	6.4
107.08600	3.6
109.02868	10.1
109.06526	3.5
109.10188	0.8
111.04443	3.6
111.08080	8.4
115.03920	1.6
115.05453	8.9
116.06262	2.4
117.01855	1.1
117.07030	10.3
119.04943	3.1
119.08582	8.3
121.02889	1.5
121.06527	7.7
123.04447	2.4
123.08065	3.3
125.09595	1.2
127.03938	3.9
128.06206	10.9
129.01831	3.7
129.07010	15.2
131.04919	4.6
131.08569	11.5
133.06508	6.3
133.10141	1.8
134.07146	0.9
135.04431	3.6
135.08043	5.1
137.05968	1.9
137.09590	1.1
137.59993	0.9
139.07440	0.9
141.06976	9.1
142.07831	4.7
143.08566	11.9
144.05731	2.8
145.06509	13.6
145.10110	7.6
147.04437	1.4
147.08046	8.7
147.11627	1.1
149.05943	1.4
149.09654	1.5
152.06229	1.7
153.01842	5.9
153.07011	6.1
154.07762	4.7
155.06030	1.9
155.08559	12.1
156.09308	2.0
156.77695	0.9
157.06488	5.8
157.10149	4.4
158.07291	2.5
159.02954	2.0
159.04279	1.2
159.08078	10.2
159.11731	2.6
161.06017	2.7
161.09621	2.8
163.07538	3.2
165.06984	6.1
165.09151	1.3
166.07767	2.5
167.08641	5.1
168.05676	0.9
168.09355	1.6
169.06491	3.9
169.10110	6.1
170.07243	1.6
171.08069	8.8
171.11717	3.2
172.08754	1.6
173.06010	2.4
173.09633	8.0
173.13261	1.8
175.07597	3.4
175.11241	2.6
178.07762	2.5
179.08495	4.6
180.09315	2.0
181.05075	1.1
181.06531	2.6
181.10052	4.3
182.07318	2.9
182.10904	1.3
183.08080	8.1
183.11679	4.7
184.08786	1.5
185.05992	1.5
185.09659	5.6
185.13243	2.1
186.10213	1.0
187.07558	4.5
187.11177	2.4
187.14897	1.1
189.03992	1.0
189.09096	1.8
189.12843	1.3
191.08516	1.6
192.09312	1.8
193.10184	3.2
195.08058	4.3
195.11659	2.7
196.08780	1.7
197.05998	1.3
197.09593	5.3
197.13312	1.3
199.07556	3.1
199.11162	5.0
201.09157	3.2
201.12750	5.6
203.06981	1.2
203.08659	1.2
207.08025	1.4
207.11765	1.3
209.09599	2.8
209.13278	1.4
211.07494	1.6
211.11183	3.6
213.09085	2.5
213.12781	4.7
215.10675	4.0
215.14296	2.1
216.11418	1.0
217.12219	1.6
219.08014	1.1
219.13805	8.7
220.08675	1.1
221.09674	2.1
221.13313	1.5
222.10373	1.2
223.11197	2.7
225.09120	2.4
225.12762	3.3
227.10725	1.4
227.14172	1.0
229.08466	1.7
229.12204	3.0
231.13832	2.2
233.09734	1.4
235.11179	1.1
235.14799	1.0
237.12683	2.4
239.10672	2.2
239.14160	1.7
241.12195	4.4
243.13799	10.4
253.12341	2.1
255.13750	5.3
259.13309	1.2
263.14337	1.2
265.12048	1.5
267.10376	1.0
267.13806	2.9
273.14880	2.9
281.15247	2.2
285.14896	3.2
287.05496	100.0
288.05786	5.9
291.13699	1.7
299.16406	1.3
309.14816	8.7
327.15793	6.5
363.18091	1.5
405.19220	1.8
413.15970	1.9
431.16937	5.5
449.04590	1.0
449.18124	22.1
450.18463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98266	0.9
55.05516	5.7
57.03441	8.0
57.07072	5.3
64.94210	0.6
67.05507	10.4
69.07068	5.8
69.08516	6.8
71.04958	0.8
71.08630	2.0
72.27635	0.8
79.05489	4.9
81.07066	12.5
83.08611	3.5
85.10191	1.3
91.05477	3.7
93.07027	4.4
95.08615	11.2
97.10160	1.5
98.98463	8.5
104.29466	0.7
105.07018	2.6
107.08587	4.1
109.10145	4.5
113.00020	21.5
119.08572	2.7
121.10148	2.6
123.08039	0.7
123.11713	3.1
131.08580	1.7
133.10117	3.0
135.04419	2.9
135.11702	1.6
136.99962	7.1
137.09552	0.8
142.74886	0.8
143.08578	1.1
145.10143	2.4
147.11690	2.0
153.01854	6.0
155.01057	6.0
159.11662	1.3
161.13242	1.0
169.02681	6.4
171.11626	0.9
175.14886	1.8
187.03682	1.1
193.02638	1.2
211.03711	1.7
211.14806	1.0
263.23767	1.2
287.05490	100.0
288.05838	6.8
313.27374	6.4
337.23465	1.1
337.27377	18.9
338.27606	1.6
368.25592	0.8
431.29327	1.5
446.06345	0.8
449.26212	4.7
449.31702	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	449.305
Annotation	(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
Peak:m/z	Relative Intensity
52.48900	0.6
53.03941	1.3
55.05510	7.1
65.03938	1.8
67.05508	10.9
69.03423	2.3
69.07066	8.6
71.04987	1.5
75.00546	0.8
77.14048	0.6
79.05497	9.8
81.03419	2.7
81.07059	17.9
83.04976	1.3
83.08609	2.4
85.02895	1.1
85.06582	0.7
91.05477	16.1
93.07049	19.6
94.07407	0.9
95.04967	11.8
95.08609	25.4
97.02913	0.8
97.06553	1.6
97.10146	1.3
98.23349	1.5
99.08070	0.8
103.05437	1.4
105.04512	1.1
105.07030	33.1
107.04965	1.7
107.08590	21.5
109.06519	4.1
109.10159	12.1
111.08078	1.1
115.05457	2.2
116.06218	0.9
117.07024	7.7
119.08584	47.0
120.08898	1.3
121.06520	6.5
121.10141	13.2
123.08078	4.0
123.11712	3.4
125.09621	1.0
128.06235	3.8
129.07002	8.7
130.07771	1.9
131.04932	0.8
131.08566	26.5
132.08920	1.0
133.06482	1.9
133.10130	19.6
134.10329	0.7
135.04401	1.1
135.08031	5.4
135.11703	4.9
137.05971	1.2
137.09641	3.2
139.07538	1.1
141.07008	4.0
142.07808	6.5
143.08560	17.7
144.09320	2.5
145.06468	2.5
145.10118	29.8
146.10683	0.9
147.08043	6.6
147.11682	10.2
148.24304	0.8
149.09645	2.4
149.13266	4.3
153.01801	3.3
153.07040	1.4
153.09094	0.7
154.07845	1.1
155.08556	9.9
156.09352	5.4
157.10132	23.2
158.10878	2.5
159.08060	5.6
159.11699	19.7
160.12221	0.8
161.09605	5.2
161.13251	9.6
163.07628	0.8
163.11172	1.4
163.14833	3.6
165.07019	1.7
166.07759	0.8
167.08597	3.7
168.09334	3.8
169.10126	14.3
170.10907	3.3
171.08096	2.0
171.11690	15.0
171.13074	1.3
173.09586	3.5
173.13252	13.9
175.11206	3.1
175.14833	13.5
177.12766	2.4
177.16391	2.8
179.08591	1.6
179.10625	1.4
179.14307	1.4
180.09454	0.9
181.10117	4.9
182.10863	3.7
183.11700	11.4
184.12502	1.3
185.09634	2.6
185.13255	11.8
186.13898	0.9
187.11227	2.7
187.14821	21.9
188.15231	1.8
189.12791	4.1
189.16367	5.7
191.14328	2.9
192.09314	0.9
193.10193	2.5
193.15991	0.8
194.10907	1.3
195.11684	6.6
196.12473	2.0
197.09576	1.0
197.13254	15.8
197.14946	1.3
198.13712	1.2
199.11278	2.0
199.14812	18.8
200.15230	1.1
201.12744	8.3
201.16373	11.8
203.14325	13.6
203.18016	2.3
205.12263	0.9
205.15984	1.1
207.11696	3.5
207.13655	1.3
208.12679	0.7
209.13242	6.5
210.13760	0.8
211.14792	11.4
212.15242	1.1
213.12773	3.1
213.16397	11.0
215.14316	9.7
215.17947	2.9
217.15842	5.4
217.19612	0.7
219.11681	1.8
219.13808	1.1
219.17570	1.0
221.13293	2.5
222.13855	0.8
223.14851	4.5
224.15472	0.8
225.12918	0.8
225.16406	5.3
227.14357	4.7
227.17998	5.2
229.15857	8.0
229.19562	1.1
230.16190	0.8
231.13864	1.6
231.17461	2.4
232.12131	0.8
233.13255	1.7
233.15341	1.3
234.14047	1.0
235.14839	2.3
237.16396	4.1
239.14345	0.9
239.18028	4.1
241.15842	3.7
241.19418	1.7
243.17529	2.0
245.13251	0.9
245.15503	1.7
245.19011	0.8
247.14804	1.9
247.17004	1.3
249.16382	2.3
250.17099	1.0
251.17860	4.2
253.15723	1.0
253.19653	2.4
255.17477	1.8
257.19177	1.9
259.14719	1.1
259.17111	1.0
261.16296	1.5
263.17984	2.7
265.19351	1.9
267.17572	1.0
267.20865	0.8
269.19034	1.1
275.17990	2.3
277.19559	2.4
279.17526	1.0
279.21097	2.0
281.19080	1.5
281.22327	1.1
283.17041	1.0
283.20593	1.0
287.05502	48.3
287.17816	1.8
288.05905	3.7
289.19577	2.1
290.20169	0.9
291.21054	1.9
293.19000	1.6
293.22455	1.2
295.20694	2.1
301.19617	1.0
303.20972	1.0
305.19199	1.0
305.22702	1.7
307.20648	1.4
309.22058	1.3
315.21008	1.4
317.22729	1.7
319.24301	1.2
329.22595	1.5
331.24405	1.2
333.22284	0.8
335.23648	1.1
343.24286	1.7
345.25800	1.9
347.23514	1.1
357.21783	1.0
359.27469	1.7
375.23022	1.5
375.30573	1.3
379.22519	1.0
385.28949	8.3
386.29181	1.8
387.30508	2.6
389.28638	1.1
391.26196	1.1
403.29977	22.9
404.30338	2.8
405.31595	3.0
413.28433	2.4
419.29578	1.5
421.31158	3.6
431.29480	22.9
432.29926	2.5
447.06613	0.8
449.30505	100.0
450.30917	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	449.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.77785	0.3
67.01847	0.9
67.05496	1.1
68.99794	0.5
69.03430	0.3
69.07056	0.9
71.04992	0.5
71.30359	0.4
79.05480	1.2
81.07056	2.4
83.04974	0.4
83.08617	0.5
85.02875	0.4
85.06538	0.4
91.05482	1.4
93.07039	2.0
95.04971	0.4
95.08611	2.9
97.06535	0.4
99.04479	0.3
99.50323	0.2
105.07021	1.7
107.08581	2.4
109.06503	0.6
109.10146	2.0
111.08092	0.4
119.08587	2.4
121.10136	2.9
123.08050	0.5
123.11704	1.2
127.07578	0.4
131.08540	0.9
133.10164	2.1
135.04424	2.1
135.07988	0.4
135.11714	1.9
137.02307	0.5
137.09618	0.3
137.13229	0.6
138.87561	0.3
143.08543	0.6
145.10161	1.3
147.11696	1.0
149.13261	0.6
153.01833	4.9
157.10107	0.7
159.11768	1.6
159.12825	0.3
161.02322	0.4
161.13283	0.9
163.11194	0.5
163.14862	0.3
171.02849	0.6
171.11699	0.4
173.13281	0.6
175.11160	0.5
175.14885	0.4
177.12747	0.4
177.16391	0.3
179.03473	0.3
181.10298	0.3
181.12007	0.3
183.11789	0.3
185.13208	0.4
187.14804	0.6
189.16438	0.7
191.10675	0.4
191.17905	1.3
201.16472	0.6
203.14275	0.3
203.17963	0.4
207.17416	0.3
211.11160	0.3
229.19443	0.7
231.21115	0.3
241.04984	0.6
257.22675	1.0
269.04550	0.5
287.05499	100.0
288.05832	8.4
351.18555	0.4
368.30566	0.5
385.31021	3.8
386.31516	0.5
395.29480	0.4
397.31631	0.3
413.30762	0.6
414.30826	0.4
431.31192	0.9
432.31903	0.6
449.25522	0.5
449.31049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01865	1.0
56.96563	0.7
57.03425	0.6
61.02940	0.5
61.67435	0.4
65.85123	0.4
67.05495	1.0
69.03429	4.5
70.06586	1.9
70.56448	0.5
70.56748	0.7
70.75418	0.5
71.04986	3.6
72.08173	2.4
73.02905	1.5
78.04698	1.7
79.05513	2.5
81.03416	2.4
84.08134	2.1
85.02905	6.5
86.09692	1.0
87.00808	1.9
91.05478	2.3
93.07043	1.1
95.04968	2.2
97.02889	3.4
97.06525	2.1
99.04454	1.0
105.01853	1.5
105.07037	1.1
106.04172	1.2
107.04967	1.0
107.08550	0.5
108.04453	2.0
109.02885	1.5
109.06478	0.5
117.07023	0.8
120.08078	2.2
121.06503	3.9
123.04400	5.3
124.05194	1.7
126.05489	1.0
127.03934	3.7
128.06210	1.0
129.10229	1.0
135.04398	0.5
137.05972	0.6
139.07550	0.5
141.07005	0.7
145.04951	1.3
145.06502	0.6
147.08057	0.7
151.03937	1.5
152.04683	1.1
159.02869	1.2
167.07040	100.0
168.07422	3.9
170.60783	0.5
233.73560	0.5
235.13232	1.3
249.02832	0.4
287.05734	0.5
450.14371	0.9
450.27356	1.7
451.15710	4.8
451.27209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03951	7.0
54.81939	1.6
55.01865	3.5
55.05513	9.6
57.03424	2.4
59.05003	1.1
61.02924	2.6
65.03938	3.5
65.21551	1.2
67.05508	8.5
69.03434	8.6
69.07062	2.3
71.05000	7.7
75.00031	6.4
77.03946	1.6
79.05493	21.5
81.03436	4.8
81.07068	8.4
83.04983	5.1
85.02907	28.5
87.04449	2.0
89.01601	4.7
91.03972	1.8
91.05486	32.3
93.07040	7.9
95.04962	14.9
95.08603	2.9
97.02890	6.1
97.06509	2.2
99.04471	2.1
100.98007	1.7
102.04703	1.2
102.99503	1.5
103.05473	5.0
105.03384	1.4
105.04553	1.8
105.07041	13.3
107.04951	5.2
107.08614	6.5
109.02874	2.9
109.06507	2.1
109.10114	1.6
115.05458	25.7
116.06291	3.3
117.01072	1.7
117.07028	15.7
119.04908	3.1
119.08569	8.2
121.06522	4.5
121.10150	3.3
124.72837	1.1
125.01543	4.4
127.03930	6.0
127.05460	5.5
128.06230	33.3
129.07021	30.5
130.07767	2.4
131.04939	1.8
131.08604	7.8
132.05695	2.0
133.06505	2.9
133.10120	3.4
135.04376	1.7
135.08040	3.7
135.11713	1.9
137.01508	3.1
137.06001	2.4
139.03113	2.9
141.06996	20.4
142.07797	10.0
143.08563	10.3
145.04988	4.3
145.06535	10.2
145.10126	6.4
147.08080	1.9
147.11696	3.7
152.06180	3.2
153.01845	3.8
153.07005	23.5
154.02223	2.7
154.07774	9.0
155.06061	8.8
155.08565	28.7
156.09410	9.7
157.06516	1.8
157.10146	6.6
158.07294	4.6
159.08005	3.6
159.11716	4.3
161.09709	1.6
161.13300	1.4
163.03102	10.7
163.05981	1.7
165.06969	7.0
166.07774	4.2
169.10126	1.4
171.08102	8.0
171.11636	2.3
173.09674	3.2
173.13261	3.1
175.11255	1.5
181.04100	1.8
181.10112	2.1
185.13297	1.7
187.14825	2.6
189.16391	1.7
191.06215	11.3
199.11186	3.9
201.16394	3.5
209.07256	1.7
217.12247	1.7
217.15858	1.6
235.08852	61.3
236.09186	3.6
253.09833	6.5
256.11945	1.4
271.14459	4.0
287.05502	46.5
288.05835	100.0
289.06143	4.1
355.59070	1.4
368.29327	1.4
450.24106	1.2
451.32114	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	450.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03951	7.0
54.81939	1.6
55.01865	3.5
55.05513	9.6
57.03424	2.4
59.05003	1.1
61.02924	2.6
65.03938	3.5
65.21551	1.2
67.05508	8.5
69.03434	8.6
69.07062	2.3
71.05000	7.7
75.00031	6.4
77.03946	1.6
79.05493	21.5
81.03436	4.8
81.07068	8.4
83.04983	5.1
85.02907	28.5
87.04449	2.0
89.01601	4.7
91.03972	1.8
91.05486	32.3
93.07040	7.9
95.04962	14.9
95.08603	2.9
97.02890	6.1
97.06509	2.2
99.04471	2.1
100.98007	1.7
102.04703	1.2
102.99503	1.5
103.05473	5.0
105.03384	1.4
105.04553	1.8
105.07041	13.3
107.04951	5.2
107.08614	6.5
109.02874	2.9
109.06507	2.1
109.10114	1.6
115.05458	25.7
116.06291	3.3
117.01072	1.7
117.07028	15.7
119.04908	3.1
119.08569	8.2
121.06522	4.5
121.10150	3.3
124.72837	1.1
125.01543	4.4
127.03930	6.0
127.05460	5.5
128.06230	33.3
129.07021	30.5
130.07767	2.4
131.04939	1.8
131.08604	7.8
132.05695	2.0
133.06505	2.9
133.10120	3.4
135.04376	1.7
135.08040	3.7
135.11713	1.9
137.01508	3.1
137.06001	2.4
139.03113	2.9
141.06996	20.4
142.07797	10.0
143.08563	10.3
145.04988	4.3
145.06535	10.2
145.10126	6.4
147.08080	1.9
147.11696	3.7
152.06180	3.2
153.01845	3.8
153.07005	23.5
154.02223	2.7
154.07774	9.0
155.06061	8.8
155.08565	28.7
156.09410	9.7
157.06516	1.8
157.10146	6.6
158.07294	4.6
159.08005	3.6
159.11716	4.3
161.09709	1.6
161.13300	1.4
163.03102	10.7
163.05981	1.7
165.06969	7.0
166.07774	4.2
169.10126	1.4
171.08102	8.0
171.11636	2.3
173.09674	3.2
173.13261	3.1
175.11255	1.5
181.04100	1.8
181.10112	2.1
185.13297	1.7
187.14825	2.6
189.16391	1.7
191.06215	11.3
199.11186	3.9
201.16394	3.5
209.07256	1.7
217.12247	1.7
217.15858	1.6
235.08852	61.3
236.09186	3.6
253.09833	6.5
256.11945	1.4
271.14459	4.0
287.05502	46.5
288.05835	100.0
289.06143	4.1
355.59070	1.4
368.29327	1.4
450.24106	1.2
451.32114	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	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01874	2.5
56.74059	1.5
57.03437	7.1
61.02932	8.8
65.03959	2.1
69.03432	15.4
70.06573	1.6
71.05008	2.0
71.16753	2.8
71.17088	1.8
73.02927	3.4
75.81435	1.4
81.03439	8.1
84.08141	1.8
85.02907	100.0
86.09746	1.6
91.03965	3.8
91.05480	82.1
92.05824	2.1
97.02892	35.9
99.04491	3.6
103.03947	2.3
109.02890	6.9
115.03956	3.8
119.08656	2.8
124.07671	1.9
127.03934	24.6
137.06026	2.3
145.04961	49.1
148.05206	1.7
149.09618	3.0
153.01869	1.9
157.10127	1.8
161.04486	2.6
163.06032	23.0
167.10759	2.6
171.08037	2.5
175.14836	6.6
176.03812	1.6
214.53267	1.6
217.08650	2.6
217.15932	2.0
253.10756	2.4
287.05591	4.8
288.05859	8.8
451.15857	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01875	1.9
57.03436	3.9
61.02921	6.9
65.03938	2.2
67.05479	0.9
69.00473	6.5
69.00887	2.6
69.03430	14.2
70.06592	1.1
71.04987	1.6
72.08161	1.2
73.02921	4.2
74.13392	0.8
81.03420	6.0
85.02905	62.0
86.03272	1.0
86.09699	1.0
87.04479	1.8
91.03964	2.8
91.05480	100.0
92.05819	2.6
93.07073	1.0
97.02891	32.4
99.04458	1.6
101.02390	1.0
103.03953	1.1
105.07024	1.1
109.02885	4.8
109.30928	0.8
111.15247	0.9
115.03913	3.6
117.07021	1.5
120.08131	1.1
121.06517	1.9
124.07621	1.5
127.03051	1.5
127.03920	16.7
129.07007	1.9
133.04951	1.5
133.06499	2.4
143.08574	0.9
145.04961	26.0
145.06432	1.8
145.10175	0.9
153.01862	1.7
161.04478	3.1
163.06009	11.3
163.07341	1.6
171.08131	1.2
217.08588	2.0
227.72411	0.9
235.09615	2.1
253.10744	2.2
287.05441	6.5
288.05774	16.1
289.06329	1.1
301.37744	0.9
359.60696	0.9
451.15802	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
54.19061	0.9
55.01866	9.5
57.03160	1.0
57.03439	19.9
59.04987	2.3
60.04507	1.3
61.02655	1.1
61.02933	16.8
69.03432	35.9
70.06590	3.0
70.56758	2.4
71.01356	4.0
71.04993	2.4
72.04483	1.2
72.08157	3.4
73.02918	83.7
74.06094	1.3
75.04472	0.9
81.03416	7.3
83.01307	1.1
83.75486	1.1
84.08126	3.1
85.02905	100.0
86.09692	3.2
87.04465	3.6
88.93023	1.0
91.03951	4.8
91.05483	4.6
93.07030	4.3
95.04967	2.3
97.02893	60.7
98.03188	1.2
99.04431	6.6
102.68845	1.0
103.03941	3.9
103.05471	2.6
105.07061	1.6
109.02877	8.0
111.04438	1.3
112.08687	1.5
115.03933	32.2
116.07108	1.2
117.07014	3.1
120.08109	1.3
121.06506	58.0
122.06810	2.0
127.03918	28.8
128.06221	1.2
129.06952	2.3
129.10242	2.9
131.04904	1.4
131.08575	2.6
132.06586	1.3
133.04970	36.3
133.06487	2.2
135.08057	2.1
136.07510	1.0
145.04961	45.2
145.06451	9.7
147.08061	1.4
149.05942	1.3
150.07634	4.7
151.07584	1.5
157.06537	1.8
159.08070	5.8
159.09155	1.3
163.03857	1.4
163.06021	17.7
163.07553	4.9
167.06967	4.7
169.06548	1.3
171.07899	1.9
173.06096	1.2
173.09676	1.0
175.07532	12.6
179.07060	2.3
180.08699	1.8
185.05963	1.1
187.06052	1.0
187.07524	19.6
187.09082	1.6
189.09114	2.4
192.86679	1.0
193.05011	1.9
199.05956	2.7
199.07617	2.2
205.08600	15.4
211.05885	1.0
217.06992	1.3
217.08652	18.2
217.12030	1.1
218.08900	1.1
218.20921	1.1
223.05940	6.0
229.08623	6.7
235.09692	9.9
241.07112	8.3
247.09654	6.0
253.10722	3.7
259.08118	9.3
265.10767	7.4
271.12009	1.0
288.05817	1.6
295.10138	2.8
312.09158	1.3
450.16141	1.6
451.15344	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99897	3.7
53.03945	14.6
54.29027	3.3
55.01868	10.3
55.05510	6.4
56.96569	4.9
57.03444	8.6
60.04531	4.9
65.03927	4.4
67.05495	12.3
69.03433	44.9
69.07066	5.3
69.33996	24.8
70.06601	4.6
71.04993	100.0
77.03963	4.7
79.05487	36.3
81.03408	15.9
81.07060	9.5
83.04984	13.7
85.02909	22.3
87.04487	6.1
91.05485	56.3
93.07045	10.9
95.04967	47.9
97.02897	5.7
97.06531	50.2
103.05478	14.4
105.03410	7.4
105.04530	4.9
105.07034	20.4
107.04978	10.7
107.08598	5.4
109.06551	5.7
115.05484	10.2
115.07543	6.9
117.07000	21.1
119.08575	13.9
121.06511	60.8
125.43011	3.6
128.06221	16.9
129.07004	28.0
130.07761	6.1
131.08571	11.5
133.06470	5.4
135.08070	7.7
139.07570	9.3
141.07040	4.5
142.07784	6.1
143.08565	11.4
145.06488	7.2
145.10158	9.5
147.08047	30.0
158.07362	4.6
159.08134	5.9
173.09642	10.6
175.11169	5.7
189.09163	9.1
195.04628	4.3
217.12299	15.7
235.13329	21.9
284.41843	4.4
289.12146	4.9
450.16150	6.3
451.16718	7.3
478.14307	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	450.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01865	6.0
55.05513	2.3
55.74164	1.2
57.03440	1.9
65.03940	1.7
67.05507	7.1
69.03432	11.9
70.06590	2.6
70.36280	3.5
71.04994	25.7
71.18179	1.1
73.02866	1.3
79.05492	16.7
81.03407	6.4
81.07046	4.4
83.04986	2.7
84.08134	3.2
85.02902	14.4
85.06550	2.8
86.09715	2.0
87.00834	1.9
87.04483	1.6
91.05477	22.2
93.07066	6.3
95.04975	10.1
95.08593	1.5
97.02888	4.9
97.06532	17.7
103.05474	3.8
105.01847	1.5
105.03379	1.5
105.04501	2.8
105.07035	12.5
106.04221	1.4
107.04955	5.6
107.08583	2.6
109.02899	3.8
109.06529	1.8
111.04438	3.1
113.05959	1.7
115.05423	3.5
115.07573	2.8
116.06262	1.5
117.07014	13.9
119.08582	5.6
121.06503	12.2
123.04430	4.9
123.08037	3.2
124.05184	1.6
127.03910	4.6
128.06210	5.6
129.07004	8.9
131.04929	2.9
131.08572	5.1
131.24908	1.2
133.06490	3.6
133.10178	1.5
135.08057	2.0
137.05957	2.4
141.06946	2.2
143.08559	4.7
145.04977	3.2
145.06450	3.4
145.10112	3.6
147.08081	10.2
149.09645	1.5
151.03867	1.5
155.08536	1.6
157.10126	1.7
158.62935	1.3
159.08051	2.7
161.09621	1.5
167.07043	100.0
168.07393	3.4
173.09645	5.7
174.10294	2.2
175.11118	2.8
177.09114	3.5
189.09172	1.6
189.12651	1.7
189.94780	1.4
191.10638	2.2
217.12210	4.9
235.13315	20.2
236.13531	2.6
253.23395	1.6
287.05176	1.2
288.05789	3.7
450.15939	6.7
451.15799	18.1
451.24768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.01864	5.0
55.05510	5.4
57.03428	3.6
61.02947	1.5
65.03964	1.8
67.05518	8.3
67.07993	1.3
68.05858	1.4
68.99789	1.7
69.03432	12.7
69.07070	6.7
70.06596	4.0
70.23475	1.3
71.05001	6.8
73.02931	2.5
79.05498	7.4
81.03416	12.7
81.07065	14.5
82.07423	1.6
83.01368	1.3
83.04996	2.1
83.08641	1.3
85.02908	28.0
85.06521	2.4
87.00832	13.1
87.92647	1.5
91.05479	6.1
93.07054	18.1
94.07376	1.6
95.04970	4.8
95.08611	17.0
96.08951	2.3
97.02892	16.8
97.06564	2.6
98.22530	2.4
99.04480	5.5
102.34903	1.2
105.01865	14.1
105.07044	11.7
107.08603	19.1
108.08929	2.3
109.02892	10.3
109.06524	2.9
109.10182	5.6
119.08572	13.8
120.08958	3.3
121.06508	2.6
121.10149	18.9
123.08032	1.5
123.11722	4.3
123.21024	1.3
127.03934	17.7
129.07047	1.8
131.08575	7.5
133.10112	8.9
135.04401	2.7
135.08080	1.7
135.11707	2.5
136.04814	1.4
137.05971	1.9
142.07837	1.5
143.08556	4.8
144.09183	1.3
145.04956	8.9
145.10123	11.5
146.10481	3.8
147.08067	2.4
147.11708	4.7
149.13257	41.6
150.13629	2.3
153.01828	6.4
154.02089	3.0
155.08540	4.2
157.10097	6.7
158.10561	2.1
159.02890	6.8
159.08064	1.8
159.11713	5.9
160.12093	2.9
161.13255	3.4
163.11220	1.6
165.12790	4.5
167.14313	17.1
169.10043	1.9
170.10631	1.4
171.11676	2.4
172.12059	3.1
173.13280	5.2
175.14839	3.8
177.16484	2.2
183.11684	1.7
184.12184	1.6
185.13338	2.9
186.13728	1.8
187.14828	8.2
188.15152	1.9
189.16373	3.4
193.10193	1.6
195.11729	1.7
196.12019	1.4
197.13380	3.0
198.13597	1.9
199.14853	4.1
200.15146	1.7
201.12657	2.4
201.16364	7.1
202.16739	3.9
203.14340	3.7
209.13274	1.4
213.03903	1.6
213.16365	2.3
214.16800	2.2
216.14684	1.4
229.40030	1.6
231.05032	4.1
241.19533	1.5
253.19850	1.3
287.05490	48.4
288.05841	100.0
289.06091	8.1
404.30197	3.1
405.31094	2.4
432.29730	4.9
433.31229	1.9
450.09576	1.5
450.21436	1.4
450.30768	21.8
451.32431	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.9
55.05511	5.1
57.07070	4.4
59.32909	2.2
59.33199	2.2
65.03940	3.6
67.05181	3.6
67.05497	16.8
69.07058	5.9
71.04997	8.2
71.29915	2.3
71.30306	3.2
79.05505	12.2
81.07072	11.4
83.04983	3.0
85.06561	8.1
91.05481	17.5
93.07047	9.4
95.08599	15.3
96.08920	3.4
97.06537	5.4
105.07037	15.9
106.07349	2.9
107.05002	2.7
107.08560	13.2
109.06540	4.5
109.10175	6.0
111.08089	4.3
115.05479	4.1
117.07024	6.0
119.08627	10.9
121.10166	11.4
123.08043	3.4
123.11718	3.8
128.06178	5.9
129.07018	5.9
131.08580	5.5
133.10127	14.4
135.04411	4.5
135.08084	5.1
135.11708	6.4
141.07036	3.9
142.07770	2.9
143.08557	5.1
145.10152	6.1
147.08101	3.4
147.11737	4.1
149.02391	4.8
149.13301	2.9
153.01845	5.1
153.06953	3.7
155.08554	4.1
157.10228	3.6
159.11684	6.2
165.07112	6.0
165.09277	2.5
167.08485	3.6
169.10126	3.4
170.10753	2.9
173.13408	3.5
175.14958	2.7
177.16162	2.5
178.07832	6.8
179.08601	5.3
180.09210	2.8
181.10229	2.8
187.14897	3.2
190.07835	4.4
191.08540	3.5
193.04997	4.6
199.11198	2.6
199.14665	2.8
201.16319	3.2
202.07869	9.9
203.08592	7.7
209.09605	2.6
215.08551	6.7
216.09393	6.7
217.10181	3.4
219.08179	3.7
228.09253	2.9
229.10114	5.6
230.10851	3.0
231.11769	3.3
239.08420	3.6
241.10078	5.2
242.10997	3.9
253.10126	6.7
265.10110	3.8
267.11621	4.1
287.05493	38.0
288.05838	100.0
289.05969	3.7
335.26071	3.1
420.38223	3.1
432.30173	3.0
450.31140	12.8
451.27429	4.5
451.32150	11.1
477.11539	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	450.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83341	9.9
65.87655	9.9
67.05493	31.4
70.06606	14.0
70.76717	20.8
71.04985	17.3
79.05483	35.6
80.94855	20.0
83.04994	12.3
85.06539	17.7
91.05476	41.5
95.08614	13.9
102.09203	12.4
105.07025	25.6
115.05502	13.4
117.07036	14.0
119.08576	18.3
123.07984	14.6
128.06197	15.8
129.06981	19.8
143.08521	12.3
149.02328	39.0
149.09575	14.2
153.06973	12.0
155.17567	10.6
165.07040	28.4
178.07805	11.6
179.08517	16.8
193.04947	41.5
202.07779	27.1
203.08539	18.8
204.61116	11.7
205.10036	19.6
215.08620	17.5
217.10181	13.6
217.12161	25.7
221.08047	20.4
229.10054	15.2
239.08545	15.6
241.10097	30.2
256.26581	24.0
265.10010	19.4
287.05481	38.3
288.05817	100.0
409.62280	12.5
410.48273	16.1
450.32187	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.05513	7.6
57.03446	3.1
60.04521	2.4
61.02919	4.5
67.05495	6.8
69.03442	10.6
69.07059	8.4
70.06593	8.0
70.65257	4.6
71.04985	6.1
72.08154	4.8
73.02927	2.8
79.05501	6.5
81.03419	4.5
81.07084	10.8
83.04990	4.7
83.08614	3.3
84.08146	3.9
85.02910	26.4
85.06538	4.0
86.09702	4.8
87.04420	1.9
91.05491	21.8
93.07067	12.8
95.04995	2.7
95.08598	12.2
97.02899	9.1
97.06524	7.0
99.04475	2.5
105.07033	17.3
107.08630	12.7
109.02900	3.6
109.06541	2.6
109.10172	8.7
111.08133	2.5
113.06016	2.4
113.29976	1.8
115.07546	5.6
117.07021	3.2
118.06569	2.6
119.04958	2.6
119.08588	41.6
120.08125	16.8
121.10163	11.0
123.04432	3.4
123.08080	5.0
123.11696	2.6
124.07585	4.7
127.03923	7.5
129.06984	3.5
131.08575	6.5
133.10136	31.1
135.11679	2.2
136.07581	17.7
137.05972	6.2
137.09625	5.7
142.07733	3.7
143.08514	4.9
143.11841	2.0
145.04984	7.7
145.10124	8.7
147.04434	3.5
147.11688	31.2
148.07625	2.8
148.08765	2.5
149.09639	3.0
153.01826	5.5
157.10138	5.4
159.11664	10.4
161.09656	2.6
163.03918	3.2
163.06038	2.1
164.07056	14.0
167.07059	63.4
167.10716	3.8
168.07289	2.4
171.11742	4.0
173.13258	9.0
175.14836	100.0
176.15140	4.4
177.05426	3.1
179.10689	4.3
187.12335	2.7
187.14841	8.8
189.16365	1.9
193.15903	12.3
196.10075	2.4
199.14821	13.7
214.10884	3.5
215.11835	3.5
217.15898	27.8
225.13907	2.8
228.12521	3.5
235.16937	27.9
243.14893	14.7
249.08873	1.7
253.13422	3.7
271.14456	23.1
287.05508	13.9
288.05844	33.4
289.06647	3.9
289.12326	4.2
289.15482	31.8
391.16589	2.4
449.44421	2.1
450.14755	3.3
450.20251	27.3
451.15692	10.6
451.21292	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	451.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19281	0.7
63.90072	0.8
69.22464	0.8
69.30408	4.7
69.30813	2.0
69.54488	0.7
85.51527	0.8
87.37170	0.7
98.22639	1.5
111.16963	0.8
130.74983	0.7
144.35330	0.7
286.13461	0.9
391.02689	1.2
451.04880	100.0
451.11920	3.1
452.05014	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	451.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
55.55378	1.0
57.03434	0.9
57.07067	1.4
67.05497	3.4
69.03408	3.0
69.07057	3.0
69.37614	0.9
70.06580	1.0
70.53731	2.1
71.05004	1.0
79.05477	4.7
81.03426	1.3
81.07072	7.5
83.08607	1.8
85.02904	1.5
86.09721	0.9
91.05473	5.3
93.07043	6.1
93.15051	0.9
95.04935	1.2
95.08613	9.9
97.06549	1.5
105.07039	11.6
107.08581	9.4
109.10166	5.8
110.15003	0.9
117.07001	2.6
119.08581	16.2
120.08048	1.4
121.06509	1.2
121.10152	7.5
123.11689	3.4
129.07004	1.8
131.08577	9.0
133.10129	10.1
134.95757	0.9
135.04472	1.2
135.08066	2.0
135.11676	3.9
136.07524	1.1
137.05978	2.9
137.09604	1.3
142.07767	1.1
143.08522	4.6
144.09340	1.2
145.10133	16.6
147.11661	5.6
149.09540	1.0
149.13242	2.1
151.07468	1.1
156.09392	1.1
157.10135	6.9
158.10863	1.2
159.11693	13.6
161.09601	2.1
161.13303	4.8
163.07440	1.7
163.11279	1.4
163.14790	1.7
169.10168	1.1
170.10898	1.9
171.11716	5.3
172.12527	1.8
173.09727	1.0
173.13263	7.2
175.11237	1.1
175.14841	4.5
177.12718	1.4
177.16368	2.5
183.11699	3.6
185.09494	1.1
185.13269	5.1
187.14819	15.2
189.16405	9.8
190.13535	1.3
195.11650	1.3
199.14835	9.1
201.16385	18.3
202.06010	14.2
203.06804	12.0
203.14389	3.2
203.17940	3.6
205.15871	4.4
211.14896	1.8
213.16406	4.1
215.14307	1.2
215.17990	3.0
219.17384	1.6
225.16353	1.1
227.05280	4.2
227.14334	1.3
227.18024	1.1
245.15248	2.5
253.19476	1.4
271.04297	6.5
287.05499	6.3
288.05832	6.1
289.06030	13.6
361.65857	1.0
365.12082	5.2
387.30457	1.4
389.32071	2.0
405.31610	4.9
407.13104	46.0
408.13626	3.2
423.32028	1.1
433.31015	5.7
451.12076	100.0
451.32239	22.9
452.12527	7.4
452.32471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1234
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
51.27071	0.6
53.03940	0.5
55.01857	0.5
55.05505	0.4
56.71134	0.3
57.03429	0.5
60.04522	0.3
67.01875	1.8
67.05496	0.6
68.93185	0.4
68.99783	1.7
69.03429	2.1
69.17419	3.3
70.79104	0.3
71.04977	0.5
79.05470	1.1
81.03400	1.1
81.07059	0.7
83.01302	0.4
85.02905	4.2
86.09688	0.9
89.03909	2.3
91.05461	0.6
93.07037	0.4
95.04962	0.8
95.08622	0.4
95.60721	0.3
97.02859	1.8
97.06538	0.5
98.22566	0.8
105.07049	0.4
107.04954	0.9
107.08597	0.6
109.02879	0.6
109.06489	0.6
109.10127	0.5
111.00749	1.9
111.04440	1.4
117.03387	4.3
119.04952	0.5
119.08560	0.7
120.08089	0.7
121.02879	0.7
123.04429	3.9
127.03905	1.0
135.04425	8.9
136.07568	0.6
137.02318	0.4
137.05971	1.0
139.03908	1.2
139.04947	0.4
145.02852	6.7
149.06038	0.4
149.26300	0.4
151.03915	0.8
153.01826	69.0
154.02165	1.6
159.04414	0.5
163.03903	44.6
164.04242	1.3
165.01840	1.7
171.02893	4.4
177.01845	0.6
179.03423	4.2
183.02953	0.6
187.03889	1.8
191.03421	0.9
195.02921	3.5
205.04993	1.0
219.02902	1.3
231.02887	0.6
243.02811	0.4
247.05930	0.5
249.03937	0.6
253.05235	0.4
261.03882	0.8
271.05887	1.9
271.16974	0.8
279.05048	0.6
286.38287	0.4
287.05484	5.7
288.05850	4.6
289.07056	100.0
290.07404	5.6
301.07141	1.2
331.08105	0.9
355.08142	0.9
356.03848	0.4
367.08072	0.6
396.20102	0.4
451.12329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Fustin 3-glucoside
Peak:m/z	Relative Intensity
50.00011	3.0
50.35398	3.1
51.00143	2.9
53.39609	3.2
56.96567	6.2
60.73677	3.3
65.03939	10.5
68.99793	5.0
70.06570	5.1
70.76790	7.0
79.24289	3.1
85.02917	15.1
93.03421	12.3
95.04961	3.6
98.97565	3.8
107.04953	8.2
111.04447	33.7
115.42465	3.4
117.03391	5.7
120.08094	5.3
123.04436	66.6
127.03902	12.8
135.04420	100.0
135.73416	3.4
136.04704	4.1
139.03906	95.2
147.04500	3.9
149.02383	20.1
151.03922	45.4
163.03949	23.0
177.05423	3.7
179.03452	5.4
187.02602	3.3
215.07001	3.0
231.06583	9.5
232.22481	3.0
259.06070	17.4
261.07672	18.2
271.06061	17.2
275.01776	3.6
289.07031	31.5
409.04382	3.6
451.16528	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	451.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00039	1.2
53.03951	4.1
55.05515	15.0
57.01277	1.3
57.07080	20.6
64.97980	1.8
65.03946	1.4
66.33331	1.2
67.05517	5.2
69.07086	1.7
69.51950	8.0
71.04993	13.1
75.00024	3.3
75.23073	1.4
79.05521	3.3
81.07080	3.7
81.67072	1.6
82.98967	9.9
83.04984	56.5
84.05289	1.4
88.69415	1.5
91.05479	7.7
93.07076	5.6
95.04984	3.1
95.08611	4.8
101.06065	6.4
105.07044	4.8
107.08636	4.1
109.10145	3.4
111.08112	1.3
111.62347	1.4
112.22566	1.3
117.01025	30.6
119.02673	1.6
119.08612	5.9
121.10185	4.2
125.06026	1.5
126.14315	1.3
128.06288	2.0
129.07036	4.4
131.08578	2.5
133.10168	3.9
135.02072	9.1
135.11717	2.9
145.06520	1.7
145.10201	3.4
147.02054	12.1
147.08086	3.9
147.11688	8.2
155.08620	1.5
157.10231	1.7
159.11804	2.6
161.13358	2.0
165.03140	26.7
165.04381	1.8
171.11775	2.3
173.13254	2.7
175.01567	100.0
176.01944	3.4
181.02611	10.3
183.11797	2.3
184.65094	1.6
185.11229	1.4
189.16508	1.9
191.12575	1.4
193.02670	2.5
201.12856	1.6
227.04803	6.1
231.07819	8.3
275.06775	11.7
280.73276	1.4
283.10934	1.7
287.05618	5.9
288.05978	5.1
289.06107	11.0
313.11890	2.9
321.03030	3.7
322.03308	1.6
331.13049	59.5
332.13312	2.7
339.03888	5.2
369.18448	2.2
377.09058	15.8
378.09750	1.7
387.19327	38.7
395.10190	51.8
396.10529	2.8
433.15482	31.1
433.21402	2.4
434.15808	2.8
450.38229	3.4
451.16595	47.3
451.32782	3.3
452.16904	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	451.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.4
55.01875	15.9
55.05511	24.0
57.03447	16.9
57.07077	8.2
61.02919	15.0
62.02868	2.9
65.03941	5.5
67.05506	40.8
68.99792	11.9
69.03431	72.1
69.07076	28.0
70.48633	6.6
70.48968	3.3
71.01341	3.1
71.04993	35.5
73.02917	10.3
75.96407	3.0
79.05502	35.1
80.05788	3.1
81.03422	49.2
81.07059	72.1
83.04982	14.6
83.08623	10.9
85.02424	5.4
85.02911	79.3
85.82677	2.8
86.03216	3.0
87.00830	38.5
87.04462	3.4
91.05483	50.9
93.07050	69.2
95.01329	3.2
95.04975	25.0
95.08606	60.6
97.02912	27.3
97.06536	8.8
97.10176	4.9
97.64718	2.9
99.04452	13.9
99.08095	4.1
103.03955	14.3
103.05443	6.2
105.01859	9.7
105.07033	100.0
106.07376	4.4
107.04948	9.6
107.08584	66.6
107.09274	4.3
108.58376	3.5
109.02890	17.3
109.06524	15.2
109.10171	54.5
111.04458	16.2
115.03920	18.8
115.05431	7.1
116.00473	3.6
117.01905	5.2
117.07012	26.4
119.08579	98.7
121.06496	14.2
121.10141	51.0
123.04430	7.7
123.08086	11.3
123.11729	18.1
125.06047	4.2
125.09641	6.4
127.03937	27.1
127.11196	14.6
128.06252	14.2
129.01845	11.3
129.05495	3.9
129.07040	22.4
130.07796	9.9
131.08577	54.9
133.06516	6.8
133.10129	77.1
135.04442	5.3
135.08075	8.5
135.11702	29.6
137.06001	4.0
137.09619	11.7
137.13280	3.7
141.05457	3.8
141.07036	7.0
142.07770	15.2
143.08568	46.7
144.09358	7.5
145.04939	5.7
145.06505	6.2
145.10123	99.4
146.10471	4.1
147.02866	6.2
147.08113	15.2
147.11697	58.4
149.09630	10.1
149.13278	11.3
151.11163	5.9
153.12802	5.9
155.07404	4.2
155.08546	21.9
156.09312	11.6
157.06487	3.8
157.10133	52.3
158.10828	9.4
159.02919	11.7
159.08083	13.2
159.11696	93.2
160.12357	3.7
161.09637	9.9
161.13251	24.6
163.11180	5.4
163.14862	3.8
165.07040	6.4
165.12764	3.7
166.07832	3.4
167.08621	6.2
168.09396	5.6
169.10123	19.1
170.10820	3.6
171.02846	5.1
171.08128	6.2
171.11694	36.2
173.09627	12.5
173.13280	34.9
174.99991	3.0
175.07501	5.4
175.11182	15.3
175.14842	17.7
176.15036	4.2
177.09050	4.3
177.12746	4.2
177.16435	12.1
179.08536	4.0
181.10124	13.5
182.10857	5.5
183.11708	22.9
184.12482	4.8
185.09644	8.9
185.13274	20.0
186.14124	3.6
187.11200	10.2
187.14803	42.9
189.03934	12.3
189.09053	7.9
189.12743	12.5
189.16388	84.1
190.16782	5.3
193.10173	4.8
195.11731	12.2
196.08784	3.8
197.09648	4.0
197.13240	13.2
199.11172	11.1
199.13107	3.2
199.14851	14.1
201.03981	4.1
201.12645	7.5
201.16376	66.6
202.16736	4.5
203.10602	6.3
203.14293	6.2
203.17961	23.2
207.11708	11.2
209.09676	3.6
209.13228	10.0
211.11134	4.1
213.12766	10.5
213.16327	25.0
215.14391	5.7
215.17966	27.9
219.11885	3.9
219.17523	6.1
223.14850	9.2
225.12808	17.3
225.16400	10.5
227.14337	6.7
227.17976	15.4
229.19543	4.2
231.17384	7.6
233.19014	6.6
237.12766	5.6
237.16484	4.7
239.17961	7.1
241.15930	7.7
243.13792	12.2
243.17490	9.3
245.19225	17.1
251.18176	4.1
255.17587	4.8
257.19122	9.9
259.16934	4.0
261.14825	4.0
261.18594	6.6
269.15805	3.2
269.18958	6.4
275.20111	5.0
283.20480	4.0
287.20035	5.1
289.06171	3.4
293.18948	10.2
301.21887	3.6
311.20044	35.3
312.20657	3.8
317.56168	3.8
329.21143	29.1
347.14606	3.6
347.22250	8.8
354.43585	3.4
365.23181	8.5
407.24142	8.8
415.21252	10.9
433.22107	27.8
451.23264	93.7
451.30508	5.0
451.31985	4.7
452.23306	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
55.01865	17.7
55.05517	25.7
57.03439	13.3
57.07070	7.2
59.04995	2.5
61.02922	12.5
65.03928	5.3
67.05179	3.2
67.05510	43.2
68.99786	11.9
69.03083	4.2
69.03432	61.1
69.07076	29.9
69.19637	18.0
71.01370	5.1
71.04992	34.6
73.02907	12.7
79.05489	29.1
81.03414	52.5
81.07057	62.2
83.04971	11.5
83.08631	13.5
85.02904	68.8
85.06542	5.3
87.00829	36.4
87.04493	3.8
91.05478	42.8
92.05803	2.7
93.07046	54.1
95.04964	18.3
95.08608	99.4
96.08969	2.8
97.02886	34.4
97.06529	12.3
97.10170	6.9
99.04470	13.6
99.08077	3.6
103.03954	14.0
103.05488	3.4
105.01856	14.3
105.04527	3.3
105.07034	94.9
107.04955	9.5
107.08592	56.5
109.02898	25.5
109.06522	10.5
109.10165	59.4
111.04433	14.7
111.08111	3.7
113.09625	3.1
115.03931	14.9
115.05456	8.0
117.07012	21.6
119.04959	3.7
119.08585	100.0
120.08900	4.7
121.06525	17.3
121.10148	44.9
123.04433	8.5
123.08039	9.6
123.11709	22.5
125.02354	2.5
125.05954	3.7
125.09641	6.7
127.03912	29.2
127.11166	14.7
128.06218	9.7
129.01846	9.6
129.05505	5.3
129.07021	16.4
130.07758	4.8
131.08560	49.1
133.06511	4.5
133.10129	61.8
135.04402	5.9
135.08072	11.0
135.11693	23.0
137.05942	6.6
137.09616	9.5
139.07651	3.2
141.06987	11.5
142.07770	8.6
143.08565	37.5
144.09375	6.9
145.04961	8.0
145.06511	7.0
145.08995	5.8
145.10123	91.3
146.10550	4.6
147.02898	6.3
147.08046	10.2
147.11687	46.2
149.05971	3.1
149.09590	7.1
149.13269	11.5
151.11172	6.1
153.06921	4.2
155.08540	17.8
156.09326	11.2
157.10133	50.0
158.10822	5.9
159.02911	10.9
159.08113	12.9
159.11697	90.5
160.12051	6.5
161.09612	12.5
161.13268	21.8
163.07524	5.2
163.11194	7.8
163.14902	5.7
165.07016	7.4
165.09047	3.1
167.08566	6.5
168.09361	3.3
169.10124	20.4
169.15915	3.0
170.10854	5.7
171.02901	3.0
171.08122	6.2
171.11688	36.1
172.08995	3.1
172.12410	4.8
173.09608	10.4
173.13249	34.2
175.07538	4.6
175.11176	10.8
175.14812	18.7
177.08923	2.8
177.12779	5.1
177.16417	6.4
179.14404	3.1
181.10109	10.1
182.10860	3.9
183.11606	17.8
185.09595	10.4
185.13271	22.2
187.11206	8.9
187.14813	47.3
189.03978	5.5
189.09123	6.8
189.12738	8.6
189.16385	68.5
190.16695	4.0
191.10767	3.7
191.14322	4.1
192.09377	4.1
193.10101	4.2
193.16032	3.7
195.11647	13.8
197.13261	13.7
199.11165	9.4
199.14841	17.3
201.03893	4.6
201.12682	10.5
201.16389	51.6
202.16936	3.7
203.10745	3.2
203.14326	15.7
203.17976	23.5
205.15880	4.3
207.11736	8.3
209.13326	6.7
211.14885	4.7
213.12762	6.5
213.16414	24.3
214.13246	3.3
215.14375	8.3
215.17966	21.7
217.15953	8.7
219.17432	9.8
221.13326	3.7
223.14783	11.0
225.12856	13.2
225.16364	10.7
227.14391	6.6
227.18028	13.4
229.15865	4.8
229.19585	5.0
231.13727	3.2
231.17447	12.9
233.15434	4.0
233.18977	5.3
237.12720	3.5
237.16330	4.0
239.17970	7.1
241.15938	7.6
241.19394	5.1
243.13747	8.9
243.17482	6.8
245.19017	13.6
247.17093	3.5
251.17943	3.8
255.17461	4.8
257.18979	5.1
259.09875	3.4
259.16870	3.5
261.18558	4.0
265.19507	6.0
269.18918	8.7
273.18433	3.9
275.20306	3.6
283.20544	6.3
287.05511	4.0
287.20053	6.9
288.05829	5.2
289.05988	7.9
293.18939	12.6
300.05719	3.1
311.20117	27.4
329.21118	23.3
347.22205	6.9
365.15833	5.7
365.23190	6.5
405.31314	6.0
407.24158	8.0
415.21100	11.4
433.22211	24.5
433.31155	6.8
451.16736	5.5
451.23163	77.8
451.31927	35.2
452.23660	5.8
476.84900	2.7
479.55362	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	451.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01868	8.6
55.05507	18.1
57.03436	6.5
57.07085	4.9
61.02942	2.6
62.82647	2.0
64.75535	2.1
65.03947	4.2
67.05509	34.9
68.99803	5.5
69.03427	33.4
69.07072	20.4
71.04995	13.0
73.02908	5.5
79.05496	25.3
81.03412	24.1
81.07056	53.3
83.04996	10.0
83.08638	10.2
85.02905	34.4
85.06535	4.0
87.00832	17.9
87.04484	4.1
91.05483	33.0
93.07046	41.0
95.04989	14.3
95.08606	73.3
97.02885	14.1
97.06555	7.6
97.10189	3.1
98.23360	5.7
99.04443	7.5
99.08100	4.1
103.03979	5.2
103.05461	2.3
105.01884	4.9
105.07033	68.4
106.07375	3.6
107.04966	5.7
107.08594	55.7
107.09283	3.9
108.08940	3.3
109.02890	9.2
109.06504	9.9
109.10162	43.3
111.04448	5.8
111.08109	5.1
111.11747	2.6
115.03957	4.9
115.05448	4.1
117.06999	14.9
119.08581	100.0
120.08942	4.9
121.06488	14.4
121.10142	38.8
122.10513	2.9
123.04439	3.7
123.08066	8.6
123.11703	13.8
125.09624	4.3
127.03918	12.4
127.07577	2.5
127.11195	6.4
128.06285	5.2
129.01855	6.0
129.07004	9.2
130.07785	4.6
131.08580	39.1
133.06511	5.9
133.10130	63.6
135.08090	8.7
135.11678	14.8
137.06001	4.8
137.09651	6.9
137.13243	2.2
141.07040	3.9
142.05116	2.4
142.07806	7.3
143.08571	22.2
144.09320	6.2
145.04955	2.6
145.10132	73.4
147.08072	8.9
147.11693	37.1
148.44276	2.0
149.05960	3.2
149.09622	4.3
149.13278	13.0
151.07527	3.2
155.08574	9.5
156.09383	8.9
157.10143	31.3
158.10896	5.6
159.02895	7.3
159.08064	7.5
159.11705	60.3
160.12090	4.1
161.09634	10.0
161.13268	26.2
163.03931	4.5
163.11145	5.3
163.14804	5.3
165.09125	2.9
165.12701	2.9
167.08614	4.3
169.10135	15.7
169.15872	4.2
170.10901	7.3
171.08046	3.2
171.11710	29.6
172.12430	5.3
173.09653	6.9
173.13264	30.9
174.13536	2.4
175.07507	3.7
175.11220	7.0
175.14806	24.8
177.12752	6.2
177.16431	8.2
179.10753	2.5
180.09346	2.9
181.10159	6.6
182.10992	3.4
183.11705	12.5
184.12398	2.9
185.09724	3.4
185.13274	20.4
187.07582	2.6
187.11188	4.0
187.14833	52.0
188.15198	2.4
189.03894	5.1
189.09113	5.2
189.12724	8.0
189.16393	48.4
189.18028	3.1
191.14314	6.1
193.10269	5.0
193.12149	2.8
193.16019	3.3
195.11653	7.5
196.12396	2.8
197.13332	13.2
199.11224	3.8
199.14833	29.6
200.15141	3.2
201.03931	3.9
201.12767	8.4
201.16396	60.2
202.16705	5.3
203.14337	35.7
203.17996	16.7
205.15884	6.4
207.11757	5.1
209.13272	5.5
211.14786	9.2
213.12801	4.5
213.16406	23.7
215.14362	7.3
215.17957	21.4
217.15883	8.0
217.19568	4.2
219.17503	6.1
221.15320	4.5
223.14967	5.1
225.12723	6.9
225.16438	8.2
227.17953	11.4
228.18292	3.2
228.98038	2.6
229.15884	6.2
229.19540	2.8
231.04941	3.1
231.13968	3.0
231.17467	11.6
233.18965	4.2
237.16473	3.1
239.17963	6.9
241.15894	4.7
241.19492	3.5
243.13815	3.1
243.17433	4.4
245.19119	5.7
247.16989	5.2
251.18013	4.4
253.19537	4.0
255.17596	3.1
259.09631	4.3
259.17056	3.2
265.19495	3.4
269.18961	4.4
275.20404	2.4
277.19424	2.8
283.20569	4.2
287.05511	6.8
287.20047	4.2
288.05911	6.3
289.06049	13.2
293.19067	4.1
311.20041	15.4
329.20966	11.5
347.22449	3.3
365.23654	2.3
387.30331	6.4
405.31485	22.1
415.21085	5.2
415.29819	4.9
423.32529	3.5
433.22092	9.1
433.31021	19.6
434.31357	2.5
451.23218	36.2
451.31870	79.1
452.23392	5.0
452.32291	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	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.5
55.01868	16.7
55.05513	23.9
57.03443	13.3
57.07072	5.2
60.77082	3.7
61.02945	6.8
67.05508	39.0
68.99783	15.4
69.03437	64.5
69.07059	27.1
71.01366	6.2
71.05002	31.9
71.20322	6.1
73.02919	9.4
79.05501	31.6
81.03424	50.9
81.07064	71.3
83.04992	11.8
83.08617	11.8
84.85284	4.1
85.02901	71.6
85.06496	4.4
87.00827	44.2
87.04499	3.8
91.05476	53.7
93.07050	54.0
95.04967	22.9
95.08604	78.7
96.05302	3.8
97.02890	35.2
97.06532	12.0
97.10172	4.7
99.04488	11.7
99.08051	4.9
99.46501	4.2
101.02379	3.8
103.03935	7.6
105.01881	11.7
105.07031	100.0
106.37456	3.8
107.04987	9.3
107.08596	55.8
109.02871	22.1
109.06538	18.4
109.10143	51.7
111.04451	15.7
111.08116	5.6
115.03956	13.8
115.05515	6.1
117.07020	26.5
119.08575	98.9
121.06559	21.7
121.10141	53.1
123.04463	6.1
123.08096	13.3
123.11709	20.1
125.09655	14.7
126.56609	4.0
127.03909	25.4
127.11198	17.8
128.06219	11.2
129.01865	12.7
129.06998	24.9
130.07797	8.6
131.08562	59.6
133.06523	10.1
133.10129	63.6
135.08070	14.9
135.11676	26.0
137.05937	7.6
137.09636	11.9
141.05444	4.8
141.07008	12.6
142.07758	23.7
143.08557	47.6
143.10661	4.0
144.09346	9.3
145.06467	8.8
145.10129	91.1
147.08054	16.4
147.11699	60.6
149.09628	11.1
149.13264	13.2
151.07539	4.8
151.11183	8.6
153.12798	4.8
153.23877	3.9
155.08528	19.0
156.09315	16.7
157.10141	60.8
158.10735	6.2
159.02914	13.0
159.08069	12.0
159.11691	94.2
161.09593	13.1
161.13280	28.3
163.11145	6.9
165.07066	4.4
167.08562	9.7
168.09351	6.6
169.10118	25.8
171.02911	5.9
171.08095	12.1
171.11693	42.8
172.68526	3.9
173.09630	13.9
173.13269	34.5
175.11234	16.7
175.14857	25.4
177.12701	6.5
179.08565	7.9
181.10156	17.8
183.11644	22.2
184.12543	4.1
185.09612	11.6
185.13263	22.9
187.11230	16.5
187.14809	38.5
189.03946	8.5
189.09096	9.8
189.12743	13.3
189.16402	77.8
190.16745	5.7
191.10651	8.1
192.09250	6.8
193.10106	5.1
195.11708	14.7
197.13292	15.5
199.11086	5.6
199.14799	22.7
201.03993	9.1
201.12762	12.7
201.16409	47.8
203.10518	5.4
203.14384	4.5
203.18097	13.4
207.11790	19.2
208.12473	5.5
209.13315	9.2
211.14864	6.9
213.12717	9.8
213.16411	24.7
213.56184	3.7
215.14395	6.6
215.17953	28.5
217.15808	6.6
219.05107	4.0
219.13809	4.3
221.13313	5.3
223.14780	9.1
225.12833	21.5
225.16370	8.0
227.17946	16.0
231.17511	12.0
237.12759	4.7
239.17958	6.4
241.15916	11.3
243.13802	12.8
243.17468	6.3
245.19089	14.5
255.13728	5.7
255.17728	4.1
257.19086	11.7
261.18512	8.5
266.12762	4.0
269.19080	5.4
283.20551	8.5
287.19931	4.8
288.05777	5.6
289.06042	8.5
293.18970	12.3
311.20074	37.9
319.81763	4.7
325.50403	3.8
329.21085	32.3
347.22266	10.8
351.54041	4.6
351.58762	3.5
365.16150	5.5
365.23358	6.0
407.24249	9.8
415.21140	16.4
433.22314	35.1
451.23267	98.3
452.23590	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	451.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01884	3.4
55.05276	2.6
55.05521	18.4
57.02339	2.9
57.03440	2.9
57.07080	3.8
57.52697	2.7
65.03940	3.0
65.91604	2.8
67.05499	23.9
69.03439	15.2
69.07066	20.0
69.37300	19.5
69.61135	2.9
70.03778	3.4
70.06586	3.7
71.05010	8.0
74.18894	2.7
78.43165	3.6
79.05486	24.9
81.03419	7.6
81.07057	39.5
82.63064	2.9
83.04990	3.8
83.08639	8.9
85.02917	14.1
85.06532	6.5
87.00845	4.8
91.05484	31.9
91.18308	2.6
93.07056	35.5
95.04987	7.1
95.08607	56.1
96.08950	3.2
97.02917	5.3
97.10182	3.6
99.08105	2.9
99.29465	2.7
103.05457	4.1
105.01903	7.8
105.07034	61.6
105.07668	4.8
106.07378	7.4
107.04996	4.5
107.08587	50.9
108.08928	3.8
109.02894	5.1
109.06543	4.2
109.10158	27.7
111.04438	3.9
111.08083	5.1
115.05492	3.5
117.07028	17.3
119.06155	2.5
119.08585	97.3
119.09448	5.1
120.08118	5.2
121.06538	5.0
121.10146	40.7
122.96294	3.4
123.08089	6.6
123.11712	10.1
127.03917	9.7
128.06178	7.0
129.07016	11.8
130.07813	6.1
131.08577	61.2
131.09497	4.7
133.06535	10.5
133.10133	65.1
135.08098	9.6
135.11703	23.5
137.05968	19.5
137.09674	3.4
141.06979	3.6
142.07857	10.3
143.08557	28.9
144.09334	5.1
145.06519	5.5
145.10126	92.7
147.11703	29.3
148.12105	2.9
149.05937	3.8
149.09578	4.2
149.13303	10.2
151.11125	6.9
155.08614	8.7
156.09325	5.3
157.10152	33.0
158.10948	8.2
159.11685	70.6
160.11995	3.7
161.06027	9.2
161.09740	6.1
161.13257	20.0
162.06346	6.3
163.07605	6.9
163.11220	7.2
163.14850	7.2
164.07095	4.1
167.07143	5.7
167.08594	3.1
168.09361	3.5
169.10205	12.5
170.10948	7.9
171.11696	28.0
172.12491	6.6
173.13263	37.6
175.07590	3.1
175.11197	6.5
175.14804	19.2
177.16437	9.0
181.05058	4.0
181.10162	5.6
182.11020	3.5
183.11681	17.4
184.12428	5.5
185.09758	3.3
185.13248	33.5
186.13748	3.3
187.14815	69.6
188.15207	3.2
189.16382	48.7
190.13574	11.1
191.17966	4.8
193.15898	5.3
195.11713	3.7
197.13303	8.3
199.14801	37.7
201.12656	3.8
201.16389	91.7
202.16771	9.4
203.14349	14.5
203.17865	16.3
205.15872	22.7
207.06654	3.4
209.13290	6.8
209.99355	2.9
211.14841	8.0
213.12833	7.9
213.16324	17.3
215.14511	6.6
215.17995	18.3
217.15897	9.0
217.19528	3.2
219.13799	3.6
219.17586	4.7
221.15472	3.5
225.16460	5.3
227.14377	8.6
227.18002	7.3
229.15875	3.7
231.17406	2.8
239.17941	5.2
245.15413	9.1
253.19641	4.3
267.21182	3.7
287.05573	11.7
288.05991	10.9
289.06030	30.7
311.20200	3.1
324.17136	3.1
387.30685	6.5
389.32275	8.8
405.31680	24.2
409.15652	5.3
421.31265	4.6
433.31076	19.5
434.31564	4.1
451.23575	5.6
451.32214	100.0
451.73669	5.6
452.32434	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	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
51.02382	1.5
53.03941	3.2
55.05511	14.3
57.07079	7.0
60.48011	1.7
65.03932	2.1
66.99165	1.7
67.05505	17.0
69.03423	4.9
69.07069	16.1
71.04986	3.1
71.08637	1.9
79.05492	16.6
81.03394	2.4
81.07063	27.2
83.04991	3.9
83.08614	8.9
85.06523	2.1
91.05476	30.3
93.07043	31.6
95.05009	1.9
95.08607	46.2
97.06524	2.9
97.10214	2.3
98.23490	3.3
99.08033	1.6
103.05446	1.8
105.07036	52.1
107.04944	2.9
107.08600	52.8
109.06536	4.4
109.10154	29.7
111.08079	2.5
115.05442	4.5
116.06223	1.9
117.07021	14.5
119.08582	89.7
120.08923	1.7
121.06460	1.6
121.10141	39.7
123.08053	2.8
123.11711	9.7
127.03922	1.9
128.06244	4.3
129.07007	9.9
130.07788	6.3
131.08578	52.5
132.08907	1.8
133.10136	52.0
135.08058	8.1
135.11682	18.6
136.11969	1.6
137.05962	4.5
137.09642	2.9
137.13324	3.2
141.07004	4.3
142.07771	7.1
143.08574	22.2
144.09340	7.0
145.06479	2.7
145.10126	89.6
146.10530	5.1
147.08090	2.6
147.11691	26.3
148.12007	1.9
149.05998	2.7
149.09653	5.6
149.13287	7.3
151.11220	2.9
155.08594	5.7
156.09328	7.4
157.10136	35.3
158.10933	8.0
159.08131	1.9
159.11691	68.1
160.12183	3.7
161.05972	3.4
161.09607	3.3
161.13263	20.8
163.07574	5.4
163.11195	3.3
163.14818	9.5
165.06876	1.7
167.08569	2.6
169.10176	8.6
170.10925	11.8
171.11696	26.3
172.08723	1.8
172.12463	4.8
173.13263	42.4
174.13895	2.3
175.07492	2.1
175.11194	7.3
175.14821	21.8
177.09140	1.9
177.12735	3.8
177.16380	12.2
181.04988	2.1
183.11678	13.1
184.12442	8.8
185.09644	2.5
185.13266	30.1
186.13882	2.9
187.14819	68.6
188.15302	3.1
189.09160	2.7
189.12743	3.5
189.16393	51.5
190.13574	6.9
190.16650	2.9
191.14246	2.8
191.17981	5.6
193.15955	3.7
197.13286	10.3
199.11198	1.8
199.14830	45.3
200.15282	2.2
201.16393	92.2
202.16748	4.9
203.14236	8.6
203.17989	13.3
205.15906	22.5
207.11710	2.4
207.17358	1.7
209.13342	4.6
211.14851	5.9
213.12776	5.2
213.16402	15.5
215.14310	2.1
215.17953	9.8
217.15974	10.4
219.17358	3.7
223.14883	2.8
225.16405	3.7
227.14409	5.3
227.18005	5.0
229.15846	2.2
229.19511	1.9
231.13843	2.4
231.17392	3.5
233.15443	1.7
237.16425	3.2
239.17973	2.1
241.19550	3.8
243.13799	1.9
245.15285	9.9
251.18010	1.9
253.19560	2.7
255.21124	2.5
257.15372	2.4
287.05618	6.1
289.06210	8.4
363.23352	1.8
387.30518	4.9
389.32144	8.5
390.32501	2.2
405.31558	25.6
406.31857	3.2
407.33163	4.7
421.30707	3.0
423.32724	3.4
433.31036	24.8
434.31451	2.5
451.32095	100.0
452.32394	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	451.3209
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
50.03304	1.2
53.03942	1.7
53.27157	1.0
55.01875	2.1
55.05516	11.2
57.03436	1.5
57.07075	4.5
65.03932	2.6
66.48154	1.2
67.05505	17.4
69.03436	5.0
69.07076	15.7
69.74173	4.9
71.04988	1.8
79.05497	14.5
81.07062	34.7
83.04964	1.8
83.08622	6.1
85.02912	1.3
85.06532	1.3
91.05481	20.5
93.07050	29.2
95.04976	5.2
95.08610	56.2
97.02894	1.9
97.06544	3.1
97.10175	2.5
98.23350	1.5
99.08081	1.4
103.05499	1.9
105.07037	48.6
106.07375	1.4
107.04964	1.4
107.08599	45.5
109.06530	5.0
109.10161	28.7
111.04456	1.2
111.08086	2.2
112.17806	1.1
115.05439	3.0
116.06202	1.9
117.07007	11.5
119.08585	85.3
120.08962	2.8
121.06527	7.7
121.10145	24.0
123.08094	5.2
123.11704	7.9
125.09663	4.5
125.37139	1.3
128.06207	3.1
129.07014	7.3
130.07808	3.4
131.08574	34.7
132.08920	1.9
133.06511	1.7
133.10129	45.2
135.08069	7.5
135.11682	11.7
137.05991	12.3
137.09637	3.6
137.13280	2.0
141.06985	2.3
142.07799	6.7
143.08575	19.9
144.09296	3.6
145.10129	52.5
146.10544	2.2
147.08090	5.8
147.11687	22.1
149.05980	1.6
149.09654	4.4
149.13303	7.7
151.07558	1.6
151.11163	1.6
155.08539	6.3
156.09332	6.4
157.10135	26.7
158.10880	3.7
159.08040	3.6
159.11699	45.3
159.12979	2.4
160.12134	1.4
161.06056	1.8
161.09641	8.2
161.13283	19.1
163.07520	1.2
163.11226	1.7
163.14807	5.0
163.74403	1.2
164.50621	1.5
165.07016	1.7
167.07133	1.9
167.08528	1.3
168.09331	1.5
168.24907	1.1
169.10138	9.3
170.10939	6.9
171.08096	1.9
171.11687	23.9
172.12617	2.3
173.09697	2.4
173.13275	31.6
174.13673	1.4
175.11241	5.0
175.14807	27.7
176.15175	1.7
177.09071	1.2
177.12764	4.7
177.16336	6.9
178.54001	1.4
179.08650	1.7
179.14311	1.8
181.04919	1.5
181.10095	2.2
182.10989	2.4
183.11694	9.3
184.12514	3.4
185.13261	14.1
186.13945	2.3
187.11232	1.8
187.14832	51.0
188.15208	2.2
189.12756	6.3
189.16380	32.9
190.16856	1.9
191.14360	7.8
191.18027	1.3
193.10182	2.3
193.15990	2.0
195.11771	2.4
196.12413	1.8
197.13263	10.6
198.13898	2.1
199.11516	1.1
199.14819	27.1
200.15288	2.2
201.12801	4.0
201.16399	50.2
202.16666	2.0
203.14317	46.9
203.17953	13.8
204.14734	2.5
205.15833	10.4
207.11696	1.9
209.13277	4.3
211.14803	5.9
213.12973	1.1
213.16371	20.4
214.16779	1.9
215.14398	4.2
215.17969	10.3
217.15816	10.0
217.19417	2.6
219.11839	1.5
219.13853	2.0
219.17433	3.4
221.13292	2.2
221.15404	3.3
223.14896	3.7
225.16341	5.8
227.17946	6.6
229.15910	9.5
229.19539	2.9
231.13844	2.0
231.17534	5.9
233.15425	3.7
233.18893	1.7
235.14812	2.2
235.17046	2.9
237.16493	3.1
239.14275	1.6
239.17989	5.5
241.19579	5.1
243.17444	2.7
245.15375	2.7
245.19173	1.7
247.17001	2.3
249.18600	2.7
251.17967	3.3
253.19531	6.1
255.17389	2.4
255.21193	2.1
257.19009	2.2
259.09268	1.3
263.18146	1.8
265.19629	1.3
267.21143	1.7
271.20480	1.4
273.18710	1.6
275.17902	1.4
275.42615	1.2
277.19766	2.0
279.20981	2.2
285.11374	1.4
288.05768	2.0
289.06207	3.6
299.20206	1.8
309.22131	2.7
318.63568	1.4
325.21622	2.2
331.24341	2.0
339.23102	1.4
351.23245	1.5
377.24692	2.5
377.32050	1.6
387.30554	7.2
389.32025	2.8
391.26099	1.5
405.31586	27.3
406.31909	3.2
407.33414	3.1
415.29999	2.7
421.31186	2.1
423.32709	3.0
433.30984	24.3
434.31323	2.4
451.32089	100.0
452.32333	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	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01861	3.3
55.05511	15.1
57.03436	1.9
57.07073	5.4
61.02908	1.3
65.03955	3.7
67.05175	2.0
67.05506	26.4
69.03431	10.4
69.03989	1.3
69.07070	22.0
71.04994	5.9
79.05497	22.4
81.03426	6.3
81.07056	41.5
83.04987	5.8
83.08620	8.0
85.02927	7.9
85.06538	5.6
87.00839	4.1
91.05481	27.7
93.07048	34.7
95.04956	10.4
95.08611	71.5
96.08977	1.8
97.02891	5.1
97.06531	8.5
97.10193	5.1
97.34863	1.4
98.23387	5.6
99.04502	1.9
99.08086	3.8
105.07033	54.5
106.07379	3.2
107.04946	3.0
107.08596	53.1
108.08939	2.0
109.02891	3.4
109.06512	6.8
109.10155	36.8
111.04452	2.4
111.08088	4.8
111.11743	2.0
115.05432	3.4
116.06253	1.8
117.07008	12.6
119.04950	1.5
119.08584	86.4
120.08929	5.5
121.06527	8.7
121.10150	31.6
122.10524	1.8
123.08092	5.5
123.11690	10.6
125.06009	2.5
125.09634	6.6
127.03942	5.1
128.06250	5.6
129.06985	11.1
130.07793	2.8
131.08571	36.3
132.08961	2.6
133.06561	3.7
133.10130	49.5
135.08047	10.4
135.11705	14.6
137.06024	6.9
137.09673	6.7
137.13290	4.0
139.11247	1.8
141.07027	4.2
142.07797	7.0
143.08585	24.9
144.09293	5.0
145.06493	1.8
145.10127	58.2
146.10513	3.2
147.08046	8.8
147.11699	25.6
148.12085	1.9
149.09631	7.0
149.13261	9.5
151.07542	2.3
151.11153	3.1
153.06958	1.7
155.08516	8.8
156.09335	6.6
157.10138	36.3
158.10854	3.1
159.08093	4.5
159.11697	46.9
159.12997	2.9
160.12100	3.8
161.09648	9.6
161.13254	23.6
163.03970	1.7
163.07588	2.4
163.11189	8.2
163.14833	9.2
164.07051	2.1
165.12788	2.0
167.08482	1.7
169.10124	9.5
169.15938	3.3
170.10942	5.0
171.08005	1.5
171.11702	20.7
172.12111	2.9
173.02373	2.5
173.09706	5.7
173.13266	29.4
174.13649	2.0
175.07639	1.7
175.11238	4.2
175.14845	29.9
176.15173	2.0
177.09160	1.8
177.12845	3.2
177.16400	7.7
179.08667	2.4
179.14380	3.2
181.10179	3.9
181.12328	2.8
182.11014	2.6
183.08057	1.5
183.11647	8.4
184.12437	3.4
185.09631	1.9
185.13312	17.9
187.11218	3.3
187.14838	44.8
188.15225	2.5
189.12819	7.1
189.16405	30.3
189.18042	2.3
190.16670	1.9
191.14340	5.5
191.17981	2.1
193.10123	2.2
193.15872	2.1
195.11729	5.8
196.12492	1.9
197.09610	2.1
197.13220	11.3
199.11269	1.8
199.14825	32.4
200.15141	1.8
201.12749	5.0
201.16382	54.1
202.16779	4.5
203.14325	44.1
203.17958	14.3
204.14722	3.3
205.15875	9.5
207.11693	2.3
207.13753	1.7
209.13264	6.8
211.14780	7.8
213.12889	4.3
213.16389	24.0
215.14363	8.0
215.17928	12.8
217.15895	12.6
217.19508	3.6
219.13901	2.2
219.17525	3.3
221.13300	3.5
221.15477	4.1
223.14877	3.9
225.12917	2.2
225.16435	5.1
227.14346	2.9
227.17940	7.6
229.15929	7.6
229.19551	3.4
229.51527	1.8
229.96761	1.6
229.98996	1.6
230.16173	1.5
231.13895	2.6
231.17381	8.7
233.13359	2.1
233.15417	3.1
233.18944	1.8
235.16994	2.5
237.16481	4.1
239.17993	5.4
241.15884	2.2
241.19443	4.0
243.13766	1.8
243.17511	3.3
245.15445	3.5
245.19241	2.5
247.16994	3.0
249.16399	2.3
251.17975	4.3
253.19527	4.1
255.17236	1.5
255.21228	2.6
257.15637	1.6
257.18985	2.7
259.09769	6.3
259.20709	1.9
263.17957	2.8
265.19550	3.8
266.20123	1.7
271.17078	1.6
273.18732	1.9
277.19467	2.0
279.21063	2.0
281.18872	1.7
287.05481	13.1
288.02866	1.7
288.05789	10.4
289.06024	25.4
291.21149	2.4
317.22562	1.9
319.24500	2.3
325.21619	1.9
333.22070	1.8
335.23492	2.6
387.30432	7.2
389.32089	1.7
405.31577	29.8
406.32050	4.1
407.33334	3.4
415.29941	4.5
421.31296	2.1
423.32739	4.0
433.31033	26.9
434.31467	4.3
451.32074	100.0
452.32495	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	451.3211
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03949	4.8
55.01858	4.9
55.05507	14.4
57.03440	5.5
57.07073	5.6
61.02915	2.1
63.99170	2.2
65.03934	2.8
67.05508	30.2
69.03424	15.9
69.07065	18.8
69.16905	4.2
69.17305	13.5
70.06606	3.0
71.01417	2.0
71.05001	7.1
73.02908	2.3
78.07657	1.8
79.05481	20.9
79.05907	2.4
81.03427	9.3
81.07059	42.7
82.07375	2.0
83.04991	6.3
83.08624	8.1
85.02904	17.7
85.06554	5.7
87.00838	4.1
91.05480	34.8
92.05850	3.1
92.87289	2.2
93.07049	37.0
94.07409	4.5
95.04974	10.0
95.08607	82.3
96.08952	5.4
97.02913	6.6
97.06522	12.0
97.10196	4.8
99.04465	3.4
99.08095	5.2
103.05478	3.1
104.84942	2.2
105.01899	3.8
105.04572	2.3
105.05515	3.0
105.07030	54.7
107.04985	4.0
107.08595	45.5
108.08929	3.2
109.02898	4.6
109.06534	8.1
109.10154	33.2
110.10583	3.0
111.04462	3.8
115.05444	4.1
117.07025	11.3
119.08575	81.5
120.08950	6.5
121.06484	9.8
121.10143	33.7
123.08116	5.7
123.11716	12.1
125.09645	5.9
127.03954	7.4
127.11220	2.7
128.06224	4.5
129.07039	8.8
130.07832	3.2
131.08572	37.6
133.10136	43.9
134.10527	2.6
135.08046	10.2
135.11708	14.5
135.12631	2.4
137.05995	9.0
137.09619	4.4
137.13211	3.3
141.07097	2.9
142.07730	4.2
143.08574	21.4
144.09315	4.2
145.06514	2.9
145.10133	58.1
145.11261	3.6
146.10524	6.6
147.08028	12.7
147.11707	25.9
148.12079	2.1
149.09686	5.7
149.13229	9.8
151.11226	2.3
153.06978	2.2
155.08618	6.3
156.09340	5.9
157.10121	28.7
158.10667	3.6
159.08139	5.6
159.11690	44.6
160.12105	3.7
161.09616	10.4
161.13237	21.2
163.03928	6.0
163.11249	4.8
163.14876	7.0
164.07097	2.5
167.07164	2.0
167.08583	5.1
169.10126	11.1
169.15910	4.0
170.10931	7.7
171.08092	3.0
171.11671	23.2
172.12196	2.1
173.09662	7.1
173.13255	24.9
175.11203	4.7
175.14818	26.4
177.12799	3.9
177.16476	5.9
179.08606	2.5
180.09647	2.0
181.10159	5.1
182.10883	2.8
183.11768	9.2
184.12476	3.2
185.09653	3.9
185.13243	17.7
187.11258	3.0
187.14812	44.3
187.16383	3.1
188.15184	4.5
189.12794	9.1
189.16377	24.6
191.14355	6.2
195.11696	4.7
197.09822	2.6
197.13298	8.5
199.11099	3.1
199.14822	21.6
200.15256	3.4
201.12782	5.0
201.16393	48.1
202.16788	3.1
203.14320	42.6
203.18033	9.3
204.14723	2.7
205.15932	7.0
207.11798	3.1
209.13239	5.0
210.13594	2.7
211.14825	6.0
212.15125	2.4
213.12857	2.7
213.16389	18.0
215.14398	6.0
215.17970	10.7
217.15840	11.8
217.19522	2.8
219.17474	1.8
221.15404	4.3
223.14978	3.6
225.12798	3.2
225.16472	5.9
227.14500	3.6
227.18039	6.2
229.15900	10.3
229.19521	2.7
231.17546	6.1
233.15453	4.2
235.17076	2.9
237.16460	4.3
239.18071	5.8
241.15880	3.0
241.19632	5.0
243.17606	3.7
245.13225	2.1
245.15404	4.5
245.19252	3.2
247.16942	3.6
251.17960	4.7
253.19524	3.8
255.21135	4.9
259.09732	9.2
265.19641	3.1
273.18829	2.4
278.55692	2.1
283.20526	2.5
285.11395	2.2
287.05499	16.0
288.05804	14.0
289.06000	29.2
290.06427	2.9
291.21231	2.4
305.22311	2.7
361.48044	2.2
387.30579	6.8
389.32065	2.8
405.31454	26.8
406.32138	3.8
415.29977	4.6
433.30951	20.9
434.31610	2.5
451.23587	4.6
451.32031	100.0
452.32504	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	451.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65802	5.1
55.05499	8.0
57.07075	29.1
63.53472	4.1
67.05509	8.1
69.07092	7.2
71.08627	19.7
71.31967	7.5
81.07050	10.8
83.08621	5.7
85.10194	6.4
89.06039	11.0
95.08620	8.7
97.10168	6.1
97.53223	5.2
105.03390	14.1
129.07005	7.2
131.08598	8.6
133.02832	6.0
133.08617	5.9
141.06969	6.9
154.80806	4.7
157.06494	9.7
159.08128	15.0
171.08072	13.9
185.09654	24.4
186.06720	13.1
187.07530	100.0
187.09082	7.6
188.78481	5.0
197.09653	13.4
199.07484	12.7
209.09738	7.1
211.11177	8.1
223.11211	7.6
225.12791	5.7
227.10704	7.9
424.68805	6.1
450.40955	5.5
451.35822	48.2
452.36124	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	2.5
55.01862	2.6
55.05512	3.3
57.07079	3.6
60.11266	1.6
61.02930	2.1
67.05515	5.8
69.03444	6.9
69.07076	6.8
69.20614	2.4
69.21016	12.6
71.08636	2.7
75.78479	1.9
79.05509	9.3
81.03437	4.4
81.07079	8.3
85.01134	3.0
85.02914	22.2
87.02670	1.8
90.69051	1.6
91.05489	8.2
93.07045	18.8
95.04949	2.9
95.08617	9.0
97.02909	6.9
99.02702	5.7
100.11246	1.9
105.07048	10.6
106.07386	2.2
107.08615	12.4
109.02885	2.7
109.06516	1.8
109.10176	4.4
111.04453	1.7
113.04245	17.8
117.07035	1.7
119.08597	5.7
120.08950	3.2
121.06462	3.2
121.10133	6.4
123.08131	2.6
123.11717	4.1
125.04204	2.2
127.03914	5.2
127.05789	25.1
128.06183	2.4
131.08632	2.7
132.80800	1.7
133.10129	3.8
134.10402	2.4
135.11613	2.1
137.09634	2.7
141.07034	1.8
143.08614	2.3
145.04942	3.0
145.10158	4.9
147.11673	5.9
148.12042	2.1
149.09552	2.3
149.13290	7.1
154.07802	4.2
155.08862	6.6
157.10245	5.4
159.11737	3.4
161.13217	2.7
165.07237	3.0
167.08516	2.5
169.10149	39.1
171.11739	2.6
173.13324	2.5
183.08522	3.6
183.12048	100.0
184.12369	5.1
187.14857	2.8
203.52379	1.8
203.54359	1.7
222.13853	2.0
229.08943	7.8
255.10518	9.6
273.11609	3.0
288.05884	4.1
290.06451	3.2
453.33881	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	452.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01867	8.6
55.05515	6.2
57.03442	18.0
57.07080	1.1
59.05010	3.0
61.02930	17.3
67.05508	13.3
69.03434	38.7
69.07072	5.3
70.57187	2.5
71.01362	4.1
71.04998	13.2
73.02920	75.9
74.03254	1.1
79.05513	6.1
81.03426	9.6
81.07063	22.7
83.04989	3.0
83.08633	3.3
85.02908	100.0
85.06544	2.5
87.04477	3.9
91.03963	3.8
91.05476	5.9
92.81624	1.0
93.07051	7.4
94.96869	1.0
95.04968	3.4
95.08612	9.9
96.08891	1.1
97.02896	64.3
97.06529	2.6
97.10186	2.2
98.03239	1.6
99.04449	5.5
99.08090	1.6
100.11229	6.1
103.03936	3.5
103.05399	1.2
105.07019	5.9
106.07388	1.2
107.08598	7.1
109.02888	9.8
109.06498	2.6
109.10169	5.6
111.04453	1.7
115.03937	27.9
117.07042	2.2
119.08596	6.7
120.08195	1.5
121.10149	4.7
123.08121	1.6
123.11709	10.7
125.06046	1.0
125.09599	1.6
127.03916	35.6
129.07097	1.5
131.08591	4.2
132.06593	1.3
132.08884	1.1
133.04970	30.2
133.06480	1.4
133.10126	4.7
135.08081	3.1
135.11710	2.7
137.05981	1.7
137.09627	2.0
138.75453	1.1
139.11160	1.3
141.07057	1.1
141.12782	3.3
143.08612	2.2
145.04962	41.7
145.10156	4.4
146.05309	1.4
146.10492	1.8
147.08055	1.8
147.11743	4.7
148.12086	1.3
150.07646	3.4
151.11217	1.9
153.12828	1.7
157.10193	3.2
159.11703	2.6
161.13263	1.7
162.13643	1.4
163.06044	17.5
163.11238	1.5
165.12776	2.8
171.11661	1.6
173.13274	1.8
175.11180	1.7
180.08752	1.3
181.10083	1.2
181.12241	1.1
182.15424	4.0
183.11618	1.3
187.11201	1.5
189.16342	1.1
191.69577	1.1
193.05061	1.4
199.06079	1.3
199.14891	1.2
201.12933	1.3
201.16399	2.3
202.16885	1.7
203.09247	1.1
203.14427	1.3
207.13826	1.3
210.14970	3.2
219.13872	2.8
223.06065	7.4
237.14873	1.9
241.07198	6.3
249.14861	2.3
255.16206	1.2
259.08124	5.9
267.15948	2.4
277.09164	1.6
279.35532	1.1
288.06003	1.4
295.10385	1.7
331.06363	1.3
452.31979	2.9
453.17169	3.0
453.33841	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	22.0
57.03447	14.6
63.49189	12.3
67.05490	38.4
69.07092	11.8
69.19302	81.3
69.43169	13.5
81.07065	29.6
83.08617	15.8
95.08606	47.8
98.98455	37.7
100.55954	13.9
107.08597	15.5
109.10155	13.4
119.08623	12.9
133.10161	16.9
155.01132	14.7
168.48810	11.9
173.17909	11.5
182.35677	12.1
230.12415	14.0
263.23636	15.3
337.27313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63611	4.4
53.03943	9.4
54.90041	4.7
55.01866	10.4
55.05516	15.1
57.03458	7.8
67.05502	23.6
69.03431	22.8
69.07065	11.8
69.73514	18.2
71.04992	44.6
75.64510	6.5
76.38165	5.1
79.05485	18.0
81.03427	9.6
81.07059	45.6
83.04982	5.6
84.69927	5.2
85.02910	31.5
85.06542	38.4
87.00828	10.1
91.05471	32.6
93.07036	24.9
95.04980	13.5
95.08610	16.2
97.02907	14.0
97.06568	6.5
99.08135	6.6
100.11258	45.9
105.01871	12.9
105.07034	36.3
106.06565	7.9
107.04983	5.4
107.08614	28.1
109.02886	13.4
109.06520	11.9
109.10145	40.5
113.09628	5.4
114.63210	5.9
115.03959	8.8
119.08561	13.8
121.10157	10.6
123.11708	15.6
124.07556	6.9
125.09615	15.1
127.03945	18.2
127.11212	9.6
131.08603	7.2
133.10136	82.9
134.06065	12.6
134.10390	6.8
136.07538	27.7
143.10663	7.5
145.10112	16.3
151.11186	59.1
153.01790	7.0
154.02077	6.2
155.10670	9.1
159.11707	4.9
164.07033	25.1
167.07059	16.6
169.12216	44.7
182.15324	11.3
187.13292	100.0
187.14890	10.2
188.13744	7.3
201.16479	8.0
209.16559	8.6
210.14857	12.3
231.05040	7.0
237.18530	20.2
243.14915	9.0
244.09770	47.0
244.15167	25.0
254.13531	6.5
257.01114	5.1
271.14429	18.4
272.14691	49.9
287.05472	21.1
288.05838	69.8
289.06021	66.7
290.06345	98.2
290.09802	9.6
296.11304	22.6
435.33124	18.4
453.15631	7.5
453.34644	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	452.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73177	13.6
52.04591	16.4
54.31898	14.3
55.05496	22.9
62.81526	13.7
67.05499	23.1
69.03419	23.9
69.06332	100.0
69.06757	41.6
69.07043	17.9
69.55337	17.3
71.04967	21.4
79.05495	35.9
81.03413	19.1
81.07075	70.9
83.08601	20.5
91.05482	46.3
93.07075	31.9
95.08632	29.2
97.06537	34.4
98.23318	24.4
99.08132	16.0
100.11245	53.4
102.60869	16.8
105.07011	55.8
107.08572	46.3
109.10177	32.0
111.52560	15.9
119.08571	37.4
121.10133	23.8
123.08050	31.1
127.03913	20.2
127.11185	28.6
127.40175	15.9
131.08650	16.4
133.10147	81.6
143.10643	21.5
145.10097	42.2
147.11668	22.2
151.11171	20.0
155.10687	20.8
157.96123	17.2
159.11740	17.0
169.12196	19.6
172.85934	18.7
180.89624	15.3
187.14716	15.2
190.66031	14.4
210.14998	29.6
237.18443	28.0
288.05777	22.6
289.05844	19.4
290.06210	29.3
323.07962	16.3
388.30545	15.2
452.32147	15.4
453.20425	22.9
453.34821	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	3.0
56.96566	42.4
58.53289	1.4
60.04519	2.2
64.69464	1.3
64.81732	1.6
67.63682	1.8
69.03424	1.6
78.19370	1.4
83.29501	1.5
84.08137	1.5
84.95996	4.7
85.02898	2.1
89.03918	2.0
97.02876	2.1
98.97584	24.6
110.97572	3.8
112.99129	5.1
116.98624	8.2
117.03457	1.5
124.99113	4.3
128.98604	5.3
131.00179	2.0
134.99713	2.1
135.04396	1.9
141.02199	4.2
143.00191	10.0
146.99597	2.0
149.01256	1.8
157.01671	2.0
158.99649	5.6
159.03296	6.2
161.01227	7.7
163.03934	10.3
169.01770	2.9
170.99536	3.6
175.00659	1.5
177.00687	6.5
179.02359	1.4
185.01215	6.1
187.02809	8.3
189.00723	4.4
191.00124	2.4
193.01717	6.7
194.99405	1.9
201.00714	1.7
203.02313	8.3
205.00261	1.6
205.03899	1.8
206.99698	1.9
209.01190	4.3
211.02797	7.6
213.00667	6.8
218.99673	4.6
219.01707	5.2
221.03282	5.0
227.01971	1.9
231.01823	9.6
237.00671	13.1
237.02821	8.2
249.02727	10.7
254.99231	2.3
255.01794	35.9
267.03845	2.5
273.02859	38.5
305.03214	2.0
309.08447	5.8
323.04224	3.4
347.04385	2.0
349.06000	2.6
365.05292	2.6
367.03177	2.5
393.05090	7.1
393.14166	4.4
411.00568	2.8
411.05899	16.4
429.07053	14.6
453.07388	4.7
453.13507	100.0
454.13995	4.2
454.20633	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
56.96568	4.3
65.53924	0.3
69.03951	0.7
69.04352	2.1
69.84711	0.3
70.06580	0.8
83.04959	0.6
84.96029	0.3
85.02914	0.6
98.97592	1.3
100.11269	1.5
110.97595	0.4
112.99165	0.4
120.08126	0.5
124.07597	0.4
124.99109	0.7
125.09649	1.1
127.99162	0.3
131.00278	0.3
134.25693	0.3
135.04430	0.7
139.72150	0.4
141.02251	1.0
143.00171	1.1
147.04515	0.3
157.43651	0.3
159.03314	0.8
161.01250	1.0
163.03915	0.8
167.00073	0.4
169.01793	0.7
175.00722	0.4
185.01164	0.6
187.02774	0.8
201.03806	0.5
203.02296	1.3
209.01312	0.6
211.02811	0.6
213.00813	1.0
218.99675	0.5
221.03360	0.4
227.17592	1.1
231.01776	1.5
231.11047	0.4
235.87854	0.3
237.00677	1.7
249.02843	1.4
254.03276	0.3
255.01765	5.2
255.04124	0.5
273.02835	6.2
275.12595	0.5
291.12286	1.0
322.10016	2.0
323.04559	0.7
323.10971	0.9
349.06161	0.5
362.12482	0.4
365.04938	0.4
367.03360	0.4
375.04147	0.4
393.04941	1.8
411.05890	2.2
429.07144	1.5
453.17328	100.0
454.17590	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	453.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19894	0.9
51.12188	0.9
56.96566	3.1
60.04548	1.2
60.37756	0.9
60.48035	0.8
62.01342	0.8
66.99556	0.9
67.05502	1.5
69.03438	2.3
69.07078	1.5
69.17609	7.1
69.23569	1.0
70.06597	3.5
70.29572	1.2
71.04997	2.4
72.08221	0.9
73.69895	0.9
79.05492	1.2
79.70658	1.0
81.03440	1.4
81.07053	1.0
85.02916	4.2
86.09713	2.1
95.08612	1.1
97.02895	0.9
98.23436	1.0
98.97613	2.9
105.07061	1.5
107.08639	1.4
109.10165	1.2
110.06057	1.1
110.07155	2.0
110.97553	1.0
116.98647	1.8
119.08628	1.4
120.08152	2.3
122.06044	1.5
123.08028	1.2
124.07609	1.5
124.38460	0.9
125.09616	1.2
126.09201	1.1
128.98607	1.3
133.10114	1.8
136.07571	1.6
138.09158	1.2
143.10739	1.6
145.10184	1.7
146.99699	1.1
150.05467	1.0
151.11249	2.0
154.05058	1.3
159.11638	1.2
163.03889	1.4
182.08154	0.9
213.12292	1.3
219.01784	2.2
219.17488	4.1
228.10330	2.3
232.09697	1.1
237.00801	1.5
237.02913	5.5
237.18501	3.6
245.12825	2.5
246.11241	1.4
255.01912	1.1
257.01599	1.1
261.12613	1.2
273.12289	3.3
274.98099	1.0
278.18430	1.3
291.13443	20.6
292.11829	1.5
324.18744	1.0
328.50333	1.0
338.09903	2.6
411.05975	1.6
453.17422	100.0
453.22403	4.3
454.17761	9.5
458.24625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.05507	11.2
57.03438	4.9
57.07043	4.6
61.68765	3.5
67.05497	16.2
69.03417	15.6
69.07071	12.8
70.06573	4.7
71.05000	36.3
71.30653	7.8
72.08159	6.2
73.06566	3.7
76.71648	4.2
79.05492	16.5
81.03463	4.9
81.07068	41.9
83.04977	9.6
83.08601	6.3
83.41118	3.7
85.02911	16.0
85.06544	8.9
91.05489	22.4
93.07060	40.2
95.04980	29.6
95.08618	14.6
97.02930	8.6
97.06532	7.1
97.10164	6.5
99.04495	5.5
99.08075	5.6
99.51167	3.7
103.05484	4.0
105.07030	45.2
107.08603	33.1
107.22380	4.4
109.06532	12.4
109.10165	23.4
111.04411	5.2
117.07054	6.0
119.08601	28.3
120.08088	5.5
121.06532	7.3
121.10147	74.1
123.04375	6.1
123.08093	6.0
123.11760	5.5
125.09648	48.2
127.03893	7.8
127.11211	9.4
131.08572	14.8
133.10136	82.4
135.08156	4.8
135.11685	11.3
137.05962	4.6
137.09628	6.5
143.08580	9.6
143.10678	100.0
144.11095	4.2
145.10139	23.0
147.08083	6.0
147.11713	18.0
149.13271	5.7
151.11188	16.9
157.10066	4.7
159.08060	4.3
159.11671	23.7
161.09624	9.5
161.13271	6.2
173.13309	5.8
181.04912	4.7
185.13301	5.0
189.16406	29.2
201.12843	4.5
201.16354	11.8
203.10646	5.6
207.17410	10.9
219.17470	39.9
237.18547	32.1
238.18672	4.3
239.37285	4.3
247.13281	24.1
255.19524	28.2
273.20590	6.2
373.21515	3.8
376.30505	3.9
382.41034	4.2
435.17090	4.4
453.16092	60.6
454.16205	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.0
55.05507	9.4
55.90564	8.6
57.03432	9.1
67.05516	16.8
69.03417	21.1
69.07097	8.9
71.04154	13.7
71.04970	28.8
76.58258	9.4
79.05507	15.9
81.05549	9.0
81.07044	33.3
83.04987	14.2
85.02897	39.0
85.06548	16.3
87.30070	9.2
89.13041	8.6
91.05474	28.6
93.07032	42.0
95.04945	33.6
95.08605	32.6
96.01187	8.5
97.02866	13.0
99.04469	10.1
105.07025	42.6
106.30383	9.6
107.08594	36.6
109.10154	25.4
117.06981	9.7
119.08591	34.2
121.10164	66.2
125.09624	66.6
127.11195	15.9
131.08600	14.9
133.10146	82.8
141.57684	9.0
143.08572	9.5
143.10654	100.0
145.10155	21.0
147.04445	10.9
147.08069	10.5
147.11697	15.3
151.11171	16.3
159.11658	16.9
161.13200	10.1
164.06926	9.8
167.07014	19.5
189.16356	37.5
201.16389	13.0
219.17337	44.9
237.18465	39.4
255.19568	23.9
257.33926	11.0
273.20529	13.3
291.02869	27.0
453.08017	23.1
453.16461	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.5
57.03443	11.8
67.05503	40.7
69.03430	16.9
69.07064	13.0
69.17570	78.8
71.04999	95.5
73.02929	18.7
78.48969	8.3
79.05495	19.9
81.07059	100.0
85.02899	24.8
85.06546	15.7
91.05489	14.8
93.07024	44.6
95.04932	14.2
95.08608	32.5
97.02853	13.3
97.10170	10.5
98.13227	9.2
105.07059	45.6
107.08602	33.3
109.10162	40.4
119.04990	10.8
119.08583	21.0
121.10150	78.1
122.15971	8.9
123.11710	27.2
125.09647	41.1
127.03925	11.2
127.11175	31.5
131.08505	10.3
133.10133	82.5
134.10547	10.1
136.07585	14.8
141.12752	31.1
143.08376	9.8
143.10661	86.9
144.42694	9.5
145.10077	21.1
147.11708	20.1
155.14297	16.0
159.11737	27.1
159.13849	10.9
161.09578	8.9
164.07135	12.3
167.07039	11.7
169.12250	16.2
170.12630	20.0
189.16385	40.6
201.16362	20.6
207.17352	11.8
219.17494	21.2
220.33539	10.2
236.93988	10.2
237.18512	39.8
255.19530	19.3
365.54553	11.9
453.21466	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96257	4.9
55.01875	12.2
55.05507	7.2
59.82299	5.1
67.05505	15.6
69.03421	15.2
69.07068	8.7
70.06590	23.1
71.04990	37.4
71.31176	9.6
71.58572	5.6
72.08160	10.9
79.05495	16.3
81.03403	7.0
81.07053	18.3
83.05005	10.9
84.08140	23.3
85.02919	30.3
86.09714	15.3
86.26503	5.3
91.05481	16.6
93.07040	23.4
95.04968	7.8
95.08606	14.5
97.02914	9.7
97.06557	7.2
98.97588	11.5
103.05460	7.5
105.07047	32.3
107.08593	24.7
109.10153	21.3
110.07153	11.8
116.07116	5.5
117.07000	7.4
119.08591	26.8
120.08097	13.7
121.10133	14.6
123.08089	9.4
124.07611	14.8
125.09626	17.1
127.11193	18.6
131.08652	6.6
133.10185	27.9
136.07584	23.5
137.05984	9.2
138.09198	5.9
143.10664	37.5
145.04890	7.4
145.10136	30.3
147.04410	11.6
150.05501	6.5
151.11191	43.1
157.02892	5.8
159.11697	14.0
161.13284	6.0
161.61267	5.5
163.11241	6.9
164.07106	19.3
170.14619	6.9
173.13271	9.8
177.05376	6.5
182.08083	10.6
191.17955	7.9
201.16342	14.5
206.08113	8.1
213.12376	10.0
218.08122	11.6
219.17447	85.1
228.10312	10.0
237.18504	100.0
244.11913	6.6
255.19499	15.0
273.12399	30.3
273.20587	26.2
283.12521	12.3
291.13434	30.4
291.19284	6.9
324.18756	6.0
382.19443	8.6
453.17276	73.9
453.23190	51.8
454.17578	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	453.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01094	1.0
53.03930	2.3
55.01866	2.4
55.05513	5.7
57.07075	2.5
65.03947	1.4
67.03389	0.9
67.05506	10.3
69.03412	1.5
69.07072	6.3
70.87505	2.3
71.04960	1.6
74.32243	0.9
76.91806	1.1
79.05498	11.3
80.17947	1.0
81.03398	1.2
81.07060	19.4
83.08624	3.9
85.02905	1.3
91.05476	22.0
93.07041	19.8
93.26646	0.9
95.04971	3.2
95.08610	17.3
97.06527	4.1
97.36880	0.9
103.05502	2.0
105.07030	46.4
106.07306	1.3
107.04967	2.6
107.08597	20.3
109.06515	4.0
109.10148	7.2
111.08067	5.5
113.15515	1.1
115.05476	1.6
117.07003	11.4
119.04877	1.1
119.08576	37.9
119.59910	1.2
121.06506	44.3
121.10140	8.7
122.06871	1.2
123.08044	4.2
123.11713	1.5
125.09631	1.1
128.06209	5.0
128.17348	1.1
129.06987	8.9
130.07780	3.6
131.08560	42.8
132.08926	1.8
133.06503	4.6
133.10127	22.0
134.10522	1.3
135.08052	18.7
135.11633	5.4
137.05988	1.9
137.09673	1.7
141.07005	3.1
142.07800	8.7
143.08566	21.9
144.09369	4.9
145.06496	3.5
145.10123	63.4
146.07281	4.7
146.10518	3.1
147.08046	51.1
147.11670	11.7
148.08380	1.6
149.05954	1.2
149.09592	5.1
149.13269	3.4
155.08569	4.3
156.09370	6.3
157.07703	1.3
157.10124	21.3
158.10843	3.9
159.08063	9.4
159.11687	23.5
160.08856	4.4
161.09616	100.0
161.13246	11.1
162.09970	4.2
163.07512	1.4
163.11162	3.8
163.14862	4.2
165.05522	1.9
167.07039	3.9
168.09366	1.5
169.10152	5.0
170.10921	4.8
171.08069	2.2
171.11679	12.8
172.12605	1.2
173.09631	8.9
173.13249	32.7
174.10370	2.9
174.13646	1.4
175.11191	9.5
175.14825	9.1
177.05450	1.3
177.12752	2.8
177.16446	2.7
179.10713	1.2
181.10107	2.2
182.10974	2.2
183.11646	11.0
185.09653	2.8
185.13257	38.2
186.10342	1.2
186.13535	1.6
187.11246	7.5
187.14822	41.2
188.15189	2.1
189.12746	87.2
190.13164	3.9
191.14264	7.2
195.11731	2.2
197.13193	5.8
199.11182	3.5
199.14806	22.5
200.11951	2.2
200.15227	1.4
201.12743	7.7
201.16391	12.2
203.14313	26.1
203.17909	2.4
204.14644	2.0
205.12311	1.5
205.15889	2.5
207.11639	1.5
209.13367	1.7
211.14842	2.9
213.12689	5.2
213.16403	4.4
215.14319	46.9
216.14713	3.4
217.15863	16.9
219.13753	5.4
219.17390	3.0
221.15408	1.6
223.14850	1.7
225.16356	2.4
227.14328	2.4
227.17987	1.7
229.15840	8.5
231.13774	5.0
233.15358	3.1
239.17900	2.0
243.13733	1.4
243.17561	2.8
245.15370	2.5
247.17020	2.3
267.17337	1.2
291.27631	1.3
295.20477	1.1
343.24374	1.1
371.27148	2.3
377.28391	2.5
389.23660	1.3
389.28418	16.0
390.28488	2.3
391.29871	4.6
399.26782	2.0
407.29504	23.9
408.29813	2.9
417.27899	5.9
425.30612	7.8
426.30768	2.0
435.28958	16.2
436.28940	2.8
453.16351	8.2
453.23041	2.3
453.29944	26.8
454.16602	1.5
454.30301	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	453.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.8
55.01876	2.7
55.05516	7.0
57.07076	2.2
58.03536	1.2
65.03951	2.7
67.05508	8.8
69.02596	3.4
69.03008	6.7
69.03455	1.9
69.07056	6.5
70.06604	3.5
70.70423	1.1
73.02924	1.7
74.19200	1.0
77.03900	1.4
79.05495	10.9
81.07065	17.4
83.08633	4.0
85.02885	1.5
85.06571	1.6
86.09730	4.1
91.05482	20.5
93.07052	20.3
95.04959	2.9
95.08613	20.7
97.02876	1.4
97.06560	4.3
97.99603	1.1
102.22327	1.2
103.05486	1.8
105.07039	49.3
107.05008	1.7
107.08608	20.7
109.06532	4.3
109.10177	7.9
110.07102	1.2
111.08092	4.2
113.35356	1.2
115.05476	2.2
117.07020	9.8
119.08582	42.2
120.08152	2.4
120.08938	1.9
121.06511	47.3
121.10143	8.9
122.06819	1.4
123.04469	1.8
123.08076	4.5
123.11772	2.0
128.06219	4.4
129.07010	9.9
130.07814	3.5
131.08575	49.2
132.05774	1.4
132.08954	1.6
133.06529	3.6
133.10138	22.5
135.08057	17.9
135.11729	5.6
137.05998	2.4
137.09616	1.5
139.07610	1.5
140.04712	1.5
141.07031	3.5
142.07790	6.7
143.08574	23.6
144.09332	2.2
145.06487	4.1
145.10130	78.2
146.07265	4.8
146.10431	2.2
147.08061	56.6
147.11699	10.6
148.08342	1.4
149.09656	6.0
149.13272	3.4
155.07115	1.5
155.08556	4.8
156.09348	5.2
157.10129	26.0
158.07370	2.0
158.10832	2.8
159.08061	8.4
159.11700	23.6
160.08875	4.2
160.12108	1.6
161.09627	100.0
161.13225	11.3
162.09981	4.9
163.07581	2.2
163.11188	5.4
163.14856	3.8
165.05554	2.4
165.22939	1.1
167.07047	11.5
168.09335	2.0
169.10162	4.9
170.10931	4.5
171.11700	15.0
172.08821	1.9
172.12268	1.3
173.09663	8.9
173.13274	34.8
174.10426	3.3
174.13635	1.7
175.11205	10.6
175.14812	9.2
177.12700	3.1
177.16464	1.5
179.14331	1.5
181.04977	3.0
181.10173	1.4
182.10876	1.2
183.11722	13.1
184.12062	1.2
185.09642	3.8
185.13260	35.6
186.13603	2.2
187.11215	6.5
187.14821	44.9
188.15172	2.7
189.12755	85.3
189.16296	5.7
190.13167	3.9
191.14316	9.6
195.11845	1.9
197.13261	4.5
199.11188	4.8
199.14810	26.6
200.11909	3.5
200.15149	1.5
201.12733	11.2
201.16385	15.1
203.14330	29.3
204.14677	1.6
205.12321	2.1
205.15952	3.8
209.08125	1.2
209.13295	1.7
211.14859	2.2
213.12764	3.7
213.16389	6.0
215.14325	51.4
216.14658	3.6
217.15886	21.4
218.16287	1.5
219.13867	5.0
219.17485	3.2
221.15382	1.7
225.16476	1.8
227.14406	1.7
227.17996	2.2
229.15826	9.2
231.13782	2.8
231.17421	1.5
233.15358	2.8
239.14328	1.4
241.15981	2.0
243.17523	3.3
245.15375	2.8
247.16882	1.3
255.17418	1.6
267.17703	2.0
283.20547	1.4
371.27542	1.3
375.64877	1.1
377.28458	1.8
389.28427	21.6
390.28540	1.4
391.30093	3.8
399.26849	1.7
407.29410	26.6
408.29803	2.6
417.27759	7.8
425.30563	6.9
435.28922	17.0
436.29645	2.4
453.15634	1.9
453.21155	5.5
453.29999	21.0
454.30420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00451	0.3
55.05509	2.1
57.07042	0.6
59.04963	1.9
61.42670	0.4
63.65792	0.4
64.52876	0.4
66.13896	0.4
67.05508	2.4
67.84637	0.4
69.03400	1.3
69.07077	2.4
69.13576	3.1
69.85749	0.4
73.58788	0.4
79.05458	1.5
79.07047	0.8
81.07069	4.1
83.04953	1.9
83.08624	1.0
85.06513	0.5
89.29102	0.4
91.05447	2.0
93.07051	4.2
95.04951	0.9
95.08043	0.6
95.08603	6.7
95.73357	0.4
95.78339	0.4
97.06486	1.2
97.10118	0.8
99.04435	0.4
99.08047	0.4
99.27620	0.4
105.07034	4.3
106.83585	0.4
107.08600	5.0
109.06516	0.6
109.10162	5.9
111.08060	0.8
113.09686	0.5
117.06944	0.6
119.07926	0.5
119.08588	4.9
121.06509	1.1
121.10159	8.1
123.08100	2.4
123.11687	2.1
125.09609	0.6
131.08572	2.6
133.10126	4.4
135.08064	16.4
135.11693	2.7
137.09615	2.9
137.13254	0.7
138.10324	0.8
139.07500	1.0
139.11188	13.4
140.11520	0.5
143.08588	0.8
145.10143	5.4
147.08075	0.6
147.11681	3.3
148.11946	0.4
149.09651	3.7
149.13231	1.3
151.11179	0.5
155.08522	0.6
157.10117	1.7
159.08029	1.3
159.11697	3.0
160.08745	0.7
161.09612	1.6
161.13277	2.0
163.07578	0.4
163.11150	1.2
163.14812	1.0
165.09045	0.6
169.10124	0.8
171.11667	1.3
172.08757	0.5
173.09653	4.8
173.13272	3.4
174.10101	0.4
175.11183	6.5
175.14893	1.0
177.09125	1.0
177.16322	1.4
183.11707	1.2
185.13235	1.3
186.10410	2.1
187.11211	2.4
187.14789	4.2
189.12752	2.5
189.16383	1.8
191.10757	0.7
191.14404	2.3
197.13283	1.0
199.14819	0.9
200.11958	1.7
201.12714	0.8
201.16397	1.5
203.14343	1.9
203.17931	0.6
205.15903	5.1
210.20702	0.4
211.14801	0.7
213.12631	0.5
213.16483	0.7
215.14346	5.3
217.15858	0.6
217.19522	0.5
219.13850	1.1
219.17349	0.5
225.12842	0.6
231.13765	0.5
233.15376	100.0
234.15709	5.2
235.16791	0.5
243.17484	0.4
247.16966	5.9
253.15926	0.5
253.19595	0.6
257.19046	0.5
271.20654	0.9
281.19089	0.6
299.20013	1.1
435.33008	3.7
453.33762	56.2
454.34036	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03963	1.2
55.05515	6.1
57.07072	2.7
67.05505	9.8
69.07069	12.3
71.04996	1.5
79.05489	8.6
81.07059	28.9
83.08634	5.4
91.05465	6.8
93.07043	16.0
95.04980	2.0
95.08608	37.2
96.08945	1.4
97.06544	2.8
97.10148	2.0
99.08127	2.1
103.05458	0.8
105.07030	13.8
106.00779	0.9
107.04976	1.6
107.08597	23.3
109.06535	2.6
109.10154	26.2
111.07410	0.9
111.08054	4.2
111.11739	3.1
117.07034	2.8
119.08584	17.6
121.06505	37.7
121.10140	19.6
122.06842	1.1
123.08070	10.5
123.11712	26.1
125.05976	8.0
125.09608	0.9
127.37732	0.7
131.08574	5.2
133.10121	17.9
135.08086	3.4
135.11690	12.0
137.05956	1.2
137.09586	1.0
137.13266	6.1
139.07545	10.5
142.07809	1.3
143.08571	3.2
145.06532	1.0
145.10126	9.2
147.08092	2.5
147.11690	8.9
149.09671	3.0
149.13264	7.4
151.07576	0.8
151.11174	0.9
151.14836	2.3
155.08534	0.9
157.10165	3.8
157.46097	0.8
158.10948	0.9
159.08081	1.7
159.11705	10.7
161.09697	2.7
161.13251	8.1
161.75473	0.8
163.07532	1.5
163.11249	3.2
163.14897	2.4
165.09123	0.9
167.10686	1.0
169.10162	1.5
170.10791	1.1
171.11670	5.4
173.09669	2.9
173.13313	7.1
175.11234	3.5
175.14847	5.6
177.09059	1.4
177.16403	2.0
182.10910	0.9
183.11719	2.1
185.13235	5.0
187.11240	3.4
187.14809	8.4
189.09108	1.2
189.12724	5.3
189.16347	4.7
190.13205	0.7
191.14354	1.9
191.17973	3.0
197.13327	3.0
199.11128	0.9
199.14897	3.0
201.12761	1.9
201.16400	6.0
202.17165	1.4
203.14377	1.9
203.17957	5.8
205.15927	6.3
205.19618	1.5
209.13290	1.1
211.14828	2.1
213.16400	1.7
215.14294	10.2
215.15823	0.9
215.17984	2.1
217.15822	3.8
217.19554	1.1
219.17384	1.5
225.16327	1.0
227.14479	0.9
227.18047	1.5
229.12276	0.9
229.15784	4.4
229.19514	1.6
231.17601	1.4
233.15361	54.4
234.15799	2.6
237.16449	0.8
239.14174	1.1
239.18048	1.0
241.19693	1.4
243.17542	1.1
245.15544	1.1
245.18906	1.1
247.17029	2.4
253.19733	1.2
255.21178	1.3
259.17084	1.1
259.20538	1.0
261.18546	1.3
267.21082	1.1
269.19147	1.5
271.20505	1.6
273.22324	1.0
275.20224	1.1
284.12717	0.9
287.20093	1.7
297.18616	1.4
297.22318	1.0
299.19897	1.1
313.21545	1.6
315.19632	1.4
319.19479	1.3
337.20563	2.2
393.31781	1.7
407.33331	6.8
408.33032	1.2
409.34827	3.3
411.33258	1.3
417.31952	1.3
425.34183	1.1
435.32605	14.0
436.32980	1.7
453.33713	100.0
454.34012	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	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03942	1.6
55.05515	8.3
57.07078	4.3
60.98124	0.9
67.05509	7.5
69.03440	2.2
69.07074	15.3
71.08678	1.0
79.05498	8.9
81.07065	17.0
81.07524	1.6
83.04994	2.0
83.08624	8.0
85.06543	2.3
89.60544	0.9
91.05482	9.8
93.07050	19.2
95.05015	2.9
95.08614	21.7
96.08945	1.0
97.06554	2.4
97.10209	2.8
98.67940	1.0
99.08101	3.0
105.07030	15.3
107.04994	2.2
107.08600	47.8
108.08945	1.6
109.06560	4.6
109.10168	13.2
111.08097	2.4
111.11771	1.1
115.05474	1.2
117.07047	4.1
119.08591	25.0
121.06516	8.0
121.10149	28.4
121.38544	1.1
123.08092	3.6
123.11732	7.8
125.06030	2.2
131.08591	10.5
133.06540	1.2
133.10141	13.8
133.11040	1.1
135.08087	11.7
135.11690	12.5
137.05954	2.2
137.09628	3.2
137.13293	3.2
139.07570	1.5
139.11256	1.0
141.07047	1.3
143.08577	4.4
145.06523	1.2
145.10147	19.7
147.08052	2.0
147.11699	11.1
149.09627	12.2
149.13313	3.9
151.11220	1.4
155.08574	1.1
156.09406	1.6
157.10201	3.2
159.08076	1.8
159.11687	7.7
161.09644	3.7
161.13246	9.6
163.07561	18.9
163.11194	58.7
163.14824	24.8
164.11601	2.0
165.09233	1.4
165.12871	1.4
169.10143	2.1
170.10968	1.7
171.11716	3.3
173.09642	4.6
173.13234	4.6
175.07574	1.3
175.11240	3.2
175.14825	2.6
177.09216	1.8
177.12836	1.6
177.16389	6.9
181.10208	1.4
183.11754	3.0
185.13332	3.0
187.11292	1.8
187.14821	18.6
188.15181	1.9
189.12813	2.6
189.16457	5.4
191.10718	2.1
191.14464	1.4
197.13306	2.4
199.14890	2.5
201.16435	3.2
203.14391	1.6
203.18036	2.6
205.15897	99.6
206.16306	4.1
209.13234	1.7
211.14865	2.4
213.16396	1.9
215.14381	4.5
217.15886	1.7
219.17413	1.6
227.18083	1.5
229.15891	2.2
231.17456	1.8
233.15378	91.8
234.15790	4.5
243.17531	1.5
247.16931	1.2
249.18561	5.0
251.16417	16.8
253.62331	1.5
321.92249	1.1
393.32010	2.2
407.33444	1.4
417.31705	3.4
435.32715	13.9
453.33783	100.0
454.34048	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	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.06878	0.6
56.91080	0.5
56.96543	0.5
57.03439	5.9
58.69627	0.5
61.02927	2.6
69.03435	4.7
69.25830	2.9
70.06593	0.7
71.01357	1.3
73.02919	19.7
78.37891	0.4
81.03418	0.9
85.02908	8.7
87.04462	1.9
97.02879	3.5
98.22634	0.8
101.22691	0.5
103.03938	0.5
109.02895	0.8
115.03919	2.0
115.05451	2.6
117.07011	0.8
120.08023	0.6
125.27817	0.4
127.03899	1.9
130.06516	2.2
132.08086	4.1
133.04999	0.6
142.06520	23.7
143.07336	3.9
144.08093	10.6
158.05977	2.6
159.06776	1.8
160.07581	69.0
161.07944	2.1
168.35750	0.4
202.08624	0.4
322.12851	100.0
323.13235	6.0
446.64792	0.5
454.17117	28.3
455.11603	0.8
455.17657	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	454.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01876	11.2
55.05513	7.0
57.03439	19.6
57.07079	2.6
59.04983	2.1
61.02931	17.3
67.05502	10.9
69.03433	39.3
69.07076	15.8
69.07423	1.9
69.22453	3.7
69.22876	5.6
71.01364	5.1
71.05009	6.7
73.02922	77.2
79.05510	7.7
81.03438	7.7
81.07072	12.9
82.71059	1.2
83.04984	2.7
83.08622	7.8
85.02909	100.0
85.06567	1.3
87.04489	4.3
91.03974	4.6
91.05472	9.9
93.07050	11.3
95.05007	2.3
95.08605	19.8
97.02898	64.4
97.06563	2.0
98.23309	2.8
99.04475	4.9
100.11269	5.3
103.03997	2.5
105.07039	14.2
107.04978	1.3
107.08591	13.7
109.02861	8.8
109.06529	3.9
109.10148	15.5
111.04469	2.4
111.08106	2.1
115.03940	29.1
117.07047	4.4
119.08579	22.3
121.06481	3.5
121.10146	8.5
123.08115	2.7
123.11745	1.9
123.45425	1.3
127.03917	35.7
129.07069	1.4
131.08575	8.4
133.04973	39.8
133.10150	11.5
134.10468	2.5
135.08083	2.5
135.11641	2.4
137.09651	3.9
137.13261	1.6
139.07570	3.0
143.08598	3.1
143.14362	4.2
145.04973	44.7
145.10120	11.0
147.08052	2.3
147.11687	7.1
149.02347	5.5
149.13295	2.5
150.02699	3.2
150.07652	3.6
151.07570	2.8
153.12752	2.7
155.08536	1.6
155.14319	1.5
157.10155	4.8
159.11711	8.9
161.09671	1.8
161.13293	4.9
163.06023	18.1
163.11270	1.5
163.14874	3.1
171.11679	3.4
173.13287	4.6
174.91206	1.3
175.14862	3.7
177.12842	1.8
177.16417	1.4
182.15427	4.3
183.13881	2.8
185.13313	2.8
187.14787	6.6
189.12785	2.3
189.16362	1.6
191.14317	3.1
199.06042	1.6
199.14902	2.8
201.16441	3.7
203.14365	5.5
205.15915	2.5
209.16606	1.6
210.14882	3.5
213.16428	2.3
215.14487	1.9
217.07080	2.7
217.15881	2.5
221.15440	1.7
223.06068	5.1
223.14929	1.6
239.16463	2.6
241.07138	9.3
257.17471	2.7
259.08170	5.8
305.19525	2.1
391.30005	2.0
410.31485	5.3
454.34821	2.3
455.31546	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05520	4.0
57.03446	4.7
57.07081	26.8
59.64560	0.6
61.69472	0.7
62.06096	25.6
67.05515	7.1
69.07085	6.1
71.05005	0.7
71.08235	0.9
71.08635	18.2
74.97678	0.7
79.05480	1.4
81.07063	9.1
81.48341	0.6
83.08618	5.3
85.10197	9.4
85.75359	0.5
89.06065	0.7
91.05478	1.1
93.07030	2.9
95.08047	1.2
95.08614	14.0
97.06496	1.2
97.10176	3.2
98.98472	8.0
99.37746	0.6
103.07561	0.9
105.07027	2.8
107.08598	4.3
109.10161	6.8
110.63322	0.6
111.11687	0.7
116.28634	0.7
119.08595	2.3
120.96612	0.7
121.06561	1.0
121.10142	3.6
123.11706	4.1
123.99078	0.7
124.01620	1.5
131.08543	1.0
133.10146	2.6
135.11684	2.2
137.09688	0.7
137.13206	0.9
137.17439	0.7
142.02676	0.9
143.08527	1.0
145.10107	1.9
147.11702	0.9
149.13289	1.1
155.01041	8.3
159.11671	1.4
161.09593	0.8
163.14806	1.1
173.02072	1.1
173.09619	0.8
173.13303	0.9
175.14784	0.8
178.58870	0.7
185.09645	0.7
187.14900	0.9
189.16434	0.9
198.05270	1.5
216.06363	2.3
217.99101	0.7
221.60684	0.6
233.15393	0.6
239.23778	1.3
282.27948	12.7
283.28305	1.2
313.27377	100.0
314.27695	7.9
393.24023	4.5
436.28015	1.1
437.35355	0.8
454.29199	1.0
454.34613	2.0
455.21793	4.9
455.31537	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	454.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.1
57.07078	34.0
59.04985	0.9
67.05527	1.0
69.07056	2.6
69.20236	6.1
71.08633	28.8
73.06557	6.4
78.69559	0.9
81.07048	1.6
83.08610	2.5
85.10184	18.5
86.10526	1.4
87.04466	3.5
89.06030	100.0
90.06390	1.2
91.05459	1.5
93.07030	1.1
95.08582	2.3
97.10147	3.0
98.22543	0.8
99.11732	4.5
105.07030	1.9
107.07061	3.1
107.08611	3.1
109.10126	1.4
113.13271	1.3
117.09135	3.3
119.08597	2.4
121.06503	2.1
121.10156	2.8
123.11718	2.4
130.08600	0.9
131.22098	0.9
133.08603	43.6
133.10201	1.7
135.08054	1.3
135.11679	1.2
145.10147	1.4
147.11656	1.0
155.17960	4.0
157.10120	1.1
159.07977	1.3
159.11685	1.9
173.13217	1.5
177.11238	19.1
177.12650	1.0
187.11185	1.3
189.16374	1.0
195.12286	3.2
199.20520	4.0
221.13965	1.4
239.14862	2.8
243.17535	1.2
243.23146	7.0
273.02829	0.9
283.17532	16.5
284.17685	0.9
287.25757	3.2
437.34650	14.8
454.33926	2.4
455.35422	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	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89964	0.5
62.83050	0.5
69.41774	1.0
69.42146	2.7
70.06577	0.9
84.08149	0.7
85.02955	0.6
87.58268	0.5
89.55971	0.6
93.03481	0.5
110.07223	0.6
127.00018	0.5
158.72115	0.5
177.05293	0.5
185.04247	1.4
185.59372	0.4
189.05252	1.4
191.03209	0.5
206.05487	7.1
207.06284	10.3
227.05263	2.9
238.91270	0.5
271.04251	5.1
273.02859	0.6
277.14059	0.7
369.11566	7.0
393.11618	1.2
411.12610	41.6
412.12988	2.0
455.11563	100.0
455.18744	41.9
456.11905	7.6
456.19131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
62.46400	1.0
69.40609	6.2
87.63817	0.9
98.22614	1.3
104.90952	0.8
112.89611	2.7
139.56334	0.9
273.27673	1.1
351.10751	0.9
409.50101	1.0
455.11606	100.0
456.12018	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1328
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
55.05505	1.6
55.84158	0.8
66.56696	0.7
67.05502	2.5
69.03416	1.2
69.07067	2.5
69.26503	4.7
70.06605	2.1
70.35252	0.8
71.04990	1.7
79.05502	2.9
81.07069	5.6
85.02917	1.2
85.06554	1.1
91.05480	6.7
92.05782	0.9
93.07049	5.0
95.04980	1.6
95.08625	6.1
97.06559	1.4
99.95766	1.0
105.07015	9.7
106.07365	1.5
107.04969	0.9
107.07955	1.0
107.08612	4.0
109.06478	1.2
109.10174	2.8
117.07059	1.5
119.08588	8.6
121.06516	3.2
121.10161	2.7
122.06889	1.1
123.08130	1.2
127.11176	1.1
128.06236	1.2
131.08582	7.9
133.06480	1.4
133.10173	4.8
135.08058	2.3
135.11707	1.7
142.07808	1.4
143.08566	5.3
144.09044	1.1
145.10144	10.1
145.12306	1.5
146.10439	2.2
147.08066	3.1
147.11726	3.0
148.08412	2.1
155.08595	1.7
157.10135	5.5
159.08070	1.7
159.11650	5.0
161.09634	5.2
161.13306	2.1
162.09947	3.0
169.10156	2.3
170.10867	1.8
171.11618	4.4
173.09639	2.3
173.13297	4.9
174.13670	1.7
175.11200	1.5
175.14841	2.5
183.11710	3.3
185.13268	8.2
186.13681	1.5
187.11134	1.5
187.14891	3.9
188.15202	1.7
189.12750	4.7
190.13078	2.8
191.14384	1.5
195.11826	1.1
199.14903	4.5
200.15291	1.5
201.12784	4.2
201.16408	2.9
203.14317	6.2
204.14676	1.6
207.06487	2.5
211.14828	2.1
213.16418	1.2
215.14201	2.2
216.14630	1.3
217.15869	2.5
219.13805	5.0
221.15407	2.1
224.61188	0.9
229.16086	1.1
353.84229	0.9
401.28067	1.0
407.29587	1.4
408.29471	0.9
409.30432	1.5
419.29309	3.2
437.30368	7.3
454.30414	1.1
455.13144	100.0
455.18607	8.0
455.23135	5.9
455.31354	15.8
456.13348	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	455.1312
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
70.06584	16.9
71.25880	5.0
72.08142	4.8
76.82391	4.2
79.05461	4.7
79.50695	5.5
81.07050	9.2
84.08199	4.6
86.09722	9.6
86.83785	4.1
105.07026	8.0
107.08626	7.1
110.07161	11.6
116.07106	4.1
116.41106	3.7
133.06493	9.7
156.07678	8.9
161.05988	18.6
169.30963	4.0
193.08534	6.4
197.03128	4.2
240.03046	6.3
245.05122	11.9
263.05972	5.5
264.17932	4.1
455.13068	100.0
456.13565	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	455.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86464	0.3
54.57228	0.4
57.03438	0.6
64.38560	0.4
69.03410	0.5
69.07058	0.5
70.06603	1.9
71.30730	0.5
71.97999	0.4
73.02892	0.5
81.03400	0.4
84.08149	0.6
85.02911	1.7
85.06573	0.4
86.09717	0.5
97.02919	0.5
97.06532	1.1
99.08104	0.6
101.36439	0.4
110.07162	1.1
115.07569	3.3
122.06053	0.7
124.84902	0.4
127.03942	0.9
128.13135	0.4
129.10234	0.8
136.07608	0.4
137.05742	0.4
139.20172	0.3
145.04921	0.5
158.40616	0.4
176.05721	0.4
201.03787	0.4
206.05656	0.7
207.06470	0.7
213.12334	0.9
257.12808	0.6
275.13889	0.5
277.14056	1.6
282.70547	0.4
293.06259	1.0
293.15216	0.5
357.00235	0.4
411.12518	3.0
455.11963	7.1
455.18832	100.0
456.13199	0.7
456.19220	7.6
463.20389	0.5
472.21048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26572	0.5
53.26925	0.5
53.47073	0.6
55.41889	0.5
56.96595	0.5
70.06593	3.4
70.19682	1.7
70.20045	0.7
72.08150	0.8
72.77592	0.5
84.08131	1.5
85.02903	0.9
86.09706	1.3
92.84187	0.5
96.43079	0.6
101.04951	0.5
124.13486	0.5
129.10233	0.6
145.04987	0.6
160.07613	0.9
163.03900	0.7
169.04779	0.8
177.05424	1.2
189.05324	0.8
206.05504	3.5
207.06271	6.4
227.05241	1.9
271.04340	3.0
273.02707	0.6
277.14139	1.1
322.13135	0.8
323.13129	1.6
369.11679	3.9
411.12640	22.1
412.12878	1.8
455.11563	49.4
455.18756	100.0
456.11874	4.5
456.19131	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	455.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01866	0.9
55.05514	3.8
57.03435	0.8
57.07075	0.9
59.04968	0.2
61.02958	0.2
65.03939	0.8
67.05506	10.6
69.03426	1.6
69.07066	5.7
71.04990	1.0
71.08642	0.3
71.30467	0.3
72.12318	0.2
73.02924	0.4
77.03916	0.2
79.05494	6.1
81.03429	1.0
81.07060	12.7
81.09662	0.2
83.04996	1.1
83.08617	2.7
85.02907	2.4
85.06565	1.4
87.00805	0.2
91.05481	7.7
93.07047	11.5
94.07388	0.3
95.04974	1.6
95.08607	24.3
96.08929	0.4
97.02894	0.7
97.06545	1.9
97.10168	0.9
99.04446	0.4
99.08110	0.4
100.11285	0.2
103.05463	0.5
105.07034	15.0
106.07390	0.3
107.04961	0.6
107.08594	14.1
108.08928	0.4
109.02860	0.4
109.06516	1.7
109.10155	15.9
111.04434	0.3
111.08081	2.5
111.11732	0.3
115.04018	0.3
115.05474	0.7
116.06237	0.2
117.07028	3.7
119.08583	25.3
120.08908	0.5
121.06512	2.4
121.10145	9.6
123.04455	0.3
123.08070	2.8
123.11708	2.7
125.09630	0.9
127.03900	0.7
128.06227	0.8
129.05489	0.3
129.06995	1.8
130.07816	0.6
131.08569	9.6
133.04942	0.2
133.06522	0.6
133.10130	10.8
135.08057	3.2
135.11693	4.6
137.09613	2.5
137.13260	0.9
139.07568	0.4
139.11191	0.2
141.06956	0.6
142.07788	1.4
143.08557	5.5
144.09351	0.8
145.04973	0.4
145.06540	0.5
145.10124	13.4
146.10576	0.3
147.08046	2.0
147.11687	6.7
148.11977	0.3
149.09634	2.0
149.13266	2.7
151.11166	1.2
153.09113	0.4
153.12732	0.2
155.08528	1.7
155.10602	0.2
156.09273	0.5
157.10135	5.6
158.10916	1.0
159.08054	0.8
159.11690	7.7
161.09631	1.9
161.13260	5.9
163.07530	0.5
163.11241	1.4
163.14824	2.1
165.09113	0.6
165.12799	0.4
169.10126	1.7
170.05795	0.3
170.10939	0.8
171.11691	3.1
172.12512	0.4
173.09645	0.6
173.13264	5.7
174.13687	0.3
175.11238	1.1
175.14832	4.9
177.09163	0.3
177.12755	1.5
177.16391	1.4
179.10652	0.2
179.14256	0.6
181.10152	0.5
183.11696	1.7
184.12540	0.4
185.09593	0.3
185.13264	4.2
187.11258	0.4
187.14822	11.2
188.15192	0.3
189.09184	0.3
189.12752	2.3
189.16365	2.4
191.10590	0.2
191.14322	2.1
191.17906	0.3
193.15880	0.3
195.11723	0.7
197.13258	1.3
199.11182	0.3
199.14818	3.8
201.12776	0.6
201.16370	4.0
202.16772	0.2
203.14313	5.8
203.16084	0.4
203.17990	0.9
204.14546	0.2
205.12209	0.3
205.15877	2.8
207.11842	0.3
207.13600	1.1
209.13266	0.7
210.14824	0.3
211.14821	0.9
213.12822	0.3
213.16373	4.2
214.16968	0.3
215.14363	1.1
215.17955	0.9
217.15796	2.0
219.17451	0.7
221.13510	0.3
221.15605	0.3
223.14864	0.5
225.16457	0.8
227.05188	0.4
227.14412	0.4
227.17950	1.9
229.15976	1.0
229.19496	0.5
231.13742	0.6
231.17441	1.8
233.15376	0.6
237.16396	0.4
239.17982	0.8
241.15939	0.4
241.19580	0.8
243.17305	0.3
243.21019	0.3
245.06168	0.4
245.15445	0.3
245.19040	0.6
247.16933	0.4
251.17889	0.4
253.19485	1.1
255.17450	0.3
255.21066	0.4
257.19022	0.3
259.17026	0.6
262.51685	0.2
263.17996	0.3
265.19479	0.4
267.21005	0.3
269.19128	0.4
269.22443	0.3
271.20508	0.3
277.19562	0.4
279.21121	0.3
281.19107	0.2
283.20407	0.3
287.05508	0.6
289.05228	1.0
291.20947	0.2
297.22025	0.3
297.54825	0.2
319.24051	0.2
351.23074	0.3
369.18912	2.3
373.28790	0.4
391.29980	1.7
393.18890	0.4
409.30942	1.3
411.19897	8.5
412.20163	0.4
419.29712	0.5
437.17996	0.4
437.30661	0.8
455.18826	28.0
455.31543	100.0
456.19122	1.9
456.31885	5.6
470.67734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
57.03437	2.3
57.07070	5.1
62.06085	3.6
67.05508	17.1
69.07089	11.2
71.31967	1.6
79.05486	10.7
79.43322	1.4
81.07056	20.4
83.08617	4.7
91.05498	10.3
93.07056	14.4
95.04942	1.8
95.08609	15.4
97.06527	3.7
97.10180	2.0
105.07037	12.1
107.08601	13.6
109.06512	2.4
109.10154	11.5
111.08088	2.2
115.07638	2.1
117.07050	1.7
119.08604	9.9
120.96632	17.6
121.10141	11.5
123.11697	3.4
131.08572	4.6
133.10124	8.1
135.11697	5.0
143.08659	1.8
145.10135	5.6
147.11717	6.0
149.13217	2.3
156.97380	1.9
157.10156	3.1
159.11725	4.3
161.13274	3.5
171.11792	3.5
176.99225	2.8
187.14815	3.2
189.16435	2.4
195.00348	13.5
199.14783	1.9
201.16353	3.8
203.14485	1.8
283.28265	2.2
314.27591	8.5
335.25806	18.6
336.26117	2.1
357.24130	6.9
375.25067	4.8
437.20566	14.5
437.30258	3.1
455.21710	100.0
455.36157	11.4
456.22244	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	455.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85975	0.3
53.03920	0.3
54.25496	0.3
55.05506	1.2
57.77787	0.3
61.49846	0.3
67.05513	1.0
69.03441	0.4
69.07070	0.8
69.69985	1.4
70.06599	0.6
76.18970	0.3
79.05492	0.9
81.07059	1.0
83.04985	0.7
83.08648	0.8
85.02894	0.4
85.06568	0.3
86.09720	1.2
91.05480	1.5
93.07077	1.4
95.04987	0.6
95.08611	1.9
98.22643	0.4
100.11239	2.0
105.07017	1.9
107.08590	1.7
109.06593	0.4
109.10177	1.0
111.04458	0.4
112.07610	0.3
113.02123	0.4
117.06969	0.4
119.04961	1.1
119.08583	1.9
121.10158	1.1
128.07117	0.4
131.08578	1.5
133.10112	1.4
135.08136	0.4
135.11699	0.9
140.07111	0.3
143.08540	0.6
145.10149	1.7
147.08086	0.3
147.10605	0.3
147.11734	0.8
149.13271	0.5
157.10114	0.7
159.11748	0.9
161.13342	0.4
163.07549	0.4
169.10147	0.4
171.11728	0.6
173.13307	1.4
182.15489	0.8
183.11812	0.3
185.04311	0.3
185.13318	0.6
187.14842	1.0
189.12843	0.6
189.16386	0.5
191.14252	0.4
199.14885	0.5
201.03699	0.4
201.16423	1.7
203.05328	1.4
203.14436	0.3
203.17987	0.6
207.06578	0.3
208.13351	0.7
209.16472	0.5
210.14970	1.1
213.16460	0.4
214.14531	0.4
219.13864	0.4
255.21169	0.4
262.11081	0.3
275.16205	1.4
277.17862	1.0
287.05453	0.6
293.17267	1.1
353.15784	0.4
383.16809	1.1
385.18271	0.6
397.18350	0.3
419.16684	0.6
425.21597	0.9
437.21469	0.7
437.30362	0.5
455.22552	100.0
455.32431	2.6
456.22891	8.4
456.29401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2258
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
53.03967	0.9
55.05519	3.8
62.80299	0.7
67.05512	5.1
69.00884	5.5
69.03434	2.0
69.07069	2.7
69.59089	0.6
71.04993	1.3
79.05491	2.4
81.07073	5.0
83.04993	1.1
83.08628	2.5
85.02904	1.0
85.06576	0.7
91.05486	3.2
93.07048	3.8
95.05008	1.2
95.08613	5.5
97.06541	0.9
97.10180	4.0
98.22509	1.3
99.04458	0.6
105.07052	4.7
107.08616	6.0
109.06537	1.5
109.10159	4.3
111.08143	0.9
117.07030	1.2
119.08576	4.6
121.06503	1.5
121.10144	5.3
123.08093	1.1
123.11708	1.9
125.09637	5.6
129.07112	0.7
130.50954	0.6
131.08583	2.6
133.10117	3.9
135.08067	1.9
135.11687	1.9
137.09659	1.1
137.13306	0.8
141.13089	0.6
143.08588	1.3
145.10153	3.2
147.08022	1.2
147.11717	2.3
149.09592	0.8
149.13271	1.1
155.08493	0.7
157.10164	1.5
159.11696	3.6
161.09671	1.0
161.13303	1.5
161.60837	0.7
163.11183	1.0
163.14951	0.7
165.12781	0.7
169.10164	0.9
171.11739	1.9
173.09622	1.2
173.13307	2.6
175.11099	0.9
175.14856	1.1
177.16376	1.0
185.13309	1.5
187.14937	1.5
189.11278	3.0
189.12814	1.1
189.16502	1.2
191.14220	0.9
197.13309	1.3
199.14821	0.8
201.12859	0.9
201.16391	0.9
203.14421	3.3
205.15941	0.9
207.94551	0.6
211.09419	12.3
213.16499	0.8
215.14348	0.9
217.12312	0.8
217.15938	0.9
219.17459	1.2
245.13919	2.2
267.12048	9.4
269.19312	0.8
282.66113	0.6
396.64978	0.6
414.12207	0.6
437.34442	1.8
455.22519	100.0
455.35861	2.5
456.22797	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01876	0.4
55.05516	3.1
57.03428	0.7
57.07074	0.6
65.03939	0.7
67.05506	11.0
68.05813	0.3
69.03441	0.4
69.07069	3.8
69.08966	1.7
71.04980	0.2
74.11184	0.2
77.03925	0.5
79.05105	0.1
79.05494	5.5
81.07059	10.8
83.04990	0.7
83.08618	1.6
85.06546	0.5
85.87157	0.2
88.83450	0.2
91.05482	7.9
93.06570	0.2
93.07043	10.9
95.04976	1.1
95.08606	19.8
96.08948	0.6
97.06532	1.6
97.10161	0.7
99.08083	0.3
103.05490	0.5
103.26525	0.2
105.04520	0.3
105.07033	14.7
106.07392	0.3
107.04920	0.4
107.08595	12.2
108.08935	0.5
109.06515	1.5
109.10155	12.2
110.10515	0.2
111.08083	2.1
115.05471	0.6
117.07021	3.3
119.08584	23.0
120.08911	0.5
121.06505	2.1
121.10144	7.9
122.10458	0.3
123.08073	2.9
123.11700	1.2
125.09641	0.4
128.06226	1.0
129.07005	2.2
130.07806	0.7
131.08572	9.8
133.06462	0.4
133.10129	9.5
134.10503	0.4
135.08061	2.8
135.11697	3.7
137.09622	2.8
137.13268	0.3
141.07001	0.7
142.07767	1.4
143.08563	5.3
143.09665	0.4
144.09331	0.9
145.06451	0.4
145.10121	12.6
146.10493	0.4
147.08090	1.2
147.11691	6.0
148.12067	0.4
149.05966	0.3
149.09622	1.3
149.13269	1.9
151.11166	1.1
155.08571	1.5
156.09390	0.8
157.10132	5.5
158.10831	0.6
159.08052	1.0
159.11696	7.6
161.09625	1.9
161.13260	5.3
162.13506	0.3
163.07547	1.1
163.11153	0.9
163.14836	2.1
165.12758	0.3
169.10143	1.6
170.10902	0.8
171.11684	3.0
172.12447	0.6
173.09618	0.4
173.13257	5.1
175.11253	1.1
175.14833	4.6
177.09103	0.3
177.12770	1.1
177.16441	1.2
179.10733	0.3
179.14339	0.3
181.10056	0.4
182.10870	0.3
183.11691	1.6
184.12468	0.3
185.13260	4.0
186.13992	0.2
187.11263	0.3
187.14816	9.8
188.15163	0.4
189.12794	2.0
189.14497	0.2
189.14795	0.2
189.16373	2.1
191.10954	0.2
191.14293	1.4
191.17889	0.2
193.10323	0.2
195.11745	0.5
197.13217	1.2
199.11224	0.2
199.13071	0.4
199.14809	4.2
201.12749	0.5
201.16382	3.3
201.18155	0.3
202.16713	0.2
203.14308	5.1
203.17993	0.6
205.12273	0.3
205.15863	2.6
207.11783	0.3
209.13318	0.4
211.14825	1.1
212.15450	0.3
213.16397	3.8
215.14331	0.9
215.17938	0.6
217.15836	2.3
219.17484	0.6
223.14825	0.4
225.16454	0.7
227.14362	0.4
227.17914	1.6
229.15871	0.8
229.19615	0.3
230.05502	0.3
231.13860	0.4
231.17319	1.0
233.15311	0.6
237.16359	0.5
239.18039	0.6
241.15919	0.5
241.19574	0.7
243.17574	0.5
245.15335	0.3
245.18913	0.4
251.17947	0.3
253.19588	0.8
254.20351	0.3
255.17415	0.2
255.21101	0.6
257.19086	0.2
259.16904	0.3
267.21066	0.4
269.19034	0.2
318.33966	0.2
365.13846	0.2
373.28928	0.6
391.29980	1.6
392.30344	0.4
393.31403	0.3
409.31158	1.0
417.06317	0.2
419.29581	0.5
429.47693	0.2
437.30551	0.7
455.31546	100.0
456.31903	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	455.3155
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.08333	0.2
51.71248	0.3
53.03941	1.2
55.01867	0.4
55.05514	3.3
57.03429	0.7
57.07073	0.8
59.30160	0.2
65.03916	0.6
67.05505	10.7
69.03429	0.7
69.07072	4.4
71.05005	0.4
71.95787	0.3
78.58144	0.3
79.05489	5.0
79.05917	0.6
81.07059	10.8
82.07323	0.3
83.04978	0.9
83.08618	2.0
85.06534	0.3
85.38276	0.3
86.41199	0.3
89.68511	0.3
91.05481	8.2
93.07043	10.9
95.04974	1.2
95.08605	21.6
96.08930	0.6
97.06534	1.3
97.10149	0.6
99.08128	0.3
103.05488	0.7
105.07029	14.6
106.07354	0.6
106.72191	0.3
107.04941	0.6
107.08591	14.2
109.06499	1.7
109.10157	13.6
111.08090	2.0
115.05444	0.6
117.07024	3.1
119.08582	25.0
120.08939	0.9
121.06506	1.9
121.10139	9.3
121.11008	0.5
123.04436	0.3
123.08084	3.0
123.11715	1.4
125.09643	0.5
127.03942	0.7
128.06203	0.9
129.06992	2.0
130.07803	0.6
131.08565	11.4
132.08926	0.5
133.06470	0.6
133.10130	11.4
134.10460	0.6
135.08046	2.9
135.11690	4.6
137.05991	0.4
137.09595	2.8
141.06952	0.6
142.07791	1.1
143.08566	6.4
144.09297	0.6
145.10118	14.0
146.10542	0.6
147.08090	1.7
147.11674	5.5
149.06001	0.4
149.09581	1.5
149.13240	2.9
151.07494	0.5
151.11211	0.8
155.08525	1.6
156.09337	1.0
157.10132	6.3
158.10785	0.5
159.08054	0.5
159.11684	9.0
160.12103	0.4
161.09651	1.7
161.13278	5.4
163.07561	0.6
163.11209	1.0
163.14838	2.5
167.08551	0.3
169.10127	1.9
170.10941	0.9
171.07964	0.4
171.11694	3.6
172.12238	0.6
173.09650	0.7
173.13248	5.6
174.13748	0.4
175.11185	1.0
175.14832	5.1
177.12738	1.3
177.16383	1.5
179.14326	0.7
181.10153	0.5
182.10902	0.4
183.11668	1.7
185.09702	0.4
185.13249	4.0
186.13861	0.4
187.14822	12.0
188.15175	1.1
189.12692	1.5
189.16364	2.9
191.14273	1.9
193.10197	0.3
195.11705	0.5
196.12474	0.4
197.13350	0.9
199.14833	3.9
201.16399	3.7
203.14320	7.0
203.17967	0.7
204.14708	0.5
205.12210	0.4
205.15892	5.0
207.11771	0.3
207.13867	0.5
209.13217	0.4
211.14842	0.9
213.12776	0.5
213.16356	3.3
215.14374	0.9
215.18004	1.1
217.15855	1.7
218.16341	0.4
219.17412	0.8
225.16399	0.8
227.14406	0.4
227.17972	1.6
229.15927	0.9
229.19424	0.6
231.13817	0.3
231.17493	1.2
237.16321	0.4
239.17978	1.0
241.19556	0.9
243.17480	0.6
245.15370	0.6
245.19058	0.3
251.18054	0.6
253.19521	1.2
255.17294	0.3
255.21269	0.4
257.18948	0.5
266.09491	0.3
267.20929	0.4
273.18692	0.4
283.24405	0.4
309.18066	0.4
309.25760	0.7
354.20755	0.3
373.28836	0.5
391.29953	1.4
407.29617	0.4
409.30984	1.2
419.29251	0.6
437.30588	1.3
455.31546	100.0
456.31900	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	455.3168
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
51.02382	0.2
53.03946	0.8
55.01863	0.4
55.05508	3.1
57.03423	0.6
57.07068	0.5
65.03937	0.8
67.05502	10.8
69.03414	0.7
69.06723	0.3
69.07065	3.8
69.90214	0.2
69.98520	0.4
69.98861	0.2
70.38796	0.2
71.04973	0.4
77.03937	0.3
79.05491	4.5
81.03413	0.4
81.07054	8.6
82.06592	0.1
82.07363	0.3
83.04954	0.5
83.08625	1.9
84.08933	0.2
85.02868	0.3
85.06519	0.4
91.05477	6.8
93.07039	9.3
94.07359	0.2
95.04956	1.0
95.08602	18.5
96.08938	0.6
97.06524	1.6
97.10163	0.3
100.11237	0.3
101.11537	0.3
103.05467	0.4
105.01889	0.2
105.04498	0.4
105.07026	12.8
106.07350	0.4
107.04913	0.3
107.08589	12.0
108.08920	0.4
109.06528	1.2
109.10148	13.0
110.10470	0.4
111.08058	2.1
115.05451	0.4
117.07003	3.1
119.08572	22.8
120.08910	0.7
121.06517	1.2
121.10140	8.0
122.10498	0.2
123.08054	2.5
123.11701	1.3
125.09629	0.5
128.06209	0.7
129.06998	2.2
130.07771	0.6
131.08559	8.8
132.09074	0.2
133.06505	0.3
133.10123	9.6
134.10440	0.2
135.08038	2.5
135.11693	3.4
137.09613	2.4
137.13225	0.5
138.09914	0.2
139.07504	0.2
141.06984	0.5
142.07791	1.1
143.08554	5.2
144.09225	0.5
145.10114	11.7
146.10562	0.4
146.12541	0.2
147.08034	1.4
147.11667	5.5
148.12021	0.2
149.05928	0.3
149.09599	1.5
149.13248	2.0
149.55367	0.2
151.07498	0.3
151.11166	1.1
155.08534	1.3
156.09335	1.0
157.10120	5.3
158.10847	0.6
159.08041	0.6
159.11684	7.7
159.67979	0.1
160.12193	0.2
161.09619	1.5
161.13248	5.1
161.14555	0.3
163.07547	0.8
163.11169	1.1
163.14818	2.0
165.09135	0.2
165.12842	0.2
168.09309	0.3
169.10143	1.3
170.10886	0.9
171.11682	2.9
172.12379	0.5
173.09622	0.4
173.13255	4.6
174.13693	0.3
175.07585	0.2
175.11214	1.0
175.14819	4.5
176.15059	0.2
176.42688	0.2
177.09172	0.4
177.12740	1.4
177.16397	1.3
179.10747	0.2
179.14291	0.6
181.10081	0.3
182.10902	0.2
183.11670	1.6
184.12411	0.2
185.09657	0.2
185.13243	3.2
186.13763	0.2
187.11194	0.5
187.14806	8.9
188.15193	0.6
189.12740	1.4
189.16374	2.1
190.16768	0.2
191.14310	1.5
191.18027	0.3
193.12212	0.3
193.15839	0.3
195.11685	0.5
197.13232	1.1
199.11127	0.3
199.14806	3.2
201.12698	0.5
201.16368	3.3
203.14302	5.1
203.17972	0.4
205.12367	0.2
205.15869	2.7
207.11705	0.3
209.13216	0.5
210.14876	0.3
211.11156	0.2
211.14838	0.9
212.15288	0.2
213.16367	3.5
214.16777	0.2
215.14264	0.8
215.17995	0.7
217.15843	1.9
217.19475	0.2
219.13931	0.3
219.17451	0.5
221.13229	0.3
223.14857	0.5
225.16374	0.6
227.14352	0.3
227.17848	1.4
229.15887	0.6
229.19533	0.3
231.17422	1.4
232.18015	0.2
233.15344	0.5
235.14900	0.3
237.16261	0.4
239.17894	0.7
241.15913	0.3
241.19521	0.4
243.17519	0.4
245.15437	0.2
245.19049	0.4
247.16943	0.2
251.17982	0.5
253.19592	1.0
255.21054	0.3
257.18933	0.4
259.16956	0.2
263.17944	0.3
267.17276	0.2
267.21039	0.4
269.18948	0.3
271.20535	0.2
277.19687	0.2
279.21008	0.3
281.22525	0.2
283.20410	0.2
293.22662	0.2
295.20709	0.2
297.22275	0.3
311.14493	0.2
351.23047	0.2
365.28531	0.2
373.28763	0.4
391.29797	1.8
393.31363	0.3
409.31085	0.7
419.29572	0.6
437.30627	0.7
455.31512	100.0
456.31854	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	455.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.2
53.03938	0.7
53.05828	0.1
55.01875	0.7
55.05511	3.3
57.03434	0.4
57.07062	0.5
57.93578	0.1
65.03928	0.8
67.05505	10.9
67.72787	0.1
69.03429	0.6
69.07068	4.2
71.04989	0.4
71.08614	0.2
71.10339	0.1
77.03921	0.2
77.39994	0.1
79.05494	5.4
80.68892	0.1
81.03437	0.3
81.07059	10.0
82.07409	0.3
82.40099	0.1
83.04990	1.0
83.08618	1.8
85.02905	0.5
85.06535	0.6
91.05479	7.9
92.35941	0.1
93.07047	10.5
94.07362	0.3
95.04960	1.4
95.08605	20.4
96.08944	0.5
97.02901	0.3
97.06531	2.0
97.10173	0.5
99.04446	0.1
99.08091	0.3
100.11285	0.1
103.05471	0.6
104.06281	0.2
105.07029	14.4
106.07345	0.4
107.04953	0.4
107.08594	13.5
108.08916	0.3
109.06528	1.7
109.10156	14.2
110.10481	0.3
111.08082	2.3
113.09620	0.1
115.05460	0.5
116.06275	0.2
117.07023	3.5
119.08578	23.5
120.08918	0.5
121.06511	2.2
121.10143	8.4
122.10455	0.2
123.08077	2.7
123.11708	1.7
125.05932	0.2
125.09608	0.7
128.06149	0.9
129.06973	1.7
130.07809	0.8
131.08568	9.2
132.08974	0.5
133.06525	0.5
133.10127	10.4
134.10469	0.3
135.08060	3.2
135.11688	3.9
137.06023	0.3
137.09615	2.4
137.13255	0.5
139.07530	0.3
139.11256	0.1
141.06993	0.6
142.07787	0.8
143.08569	5.6
144.09364	0.9
145.06487	0.3
145.10123	12.6
146.10522	0.5
147.08032	1.8
147.11681	5.8
149.05991	0.2
149.09619	1.4
149.13257	2.3
151.07591	0.3
151.11150	1.1
151.14799	0.2
153.09129	0.3
155.08527	1.2
156.09320	0.9
157.10124	6.1
158.10931	0.9
159.08107	0.5
159.11693	8.1
160.12186	0.3
161.05960	0.2
161.09642	1.6
161.13257	5.5
162.13553	0.3
163.07544	0.7
163.11194	1.4
163.14822	2.0
165.09154	0.3
165.12784	0.3
167.08580	0.2
167.14320	0.2
168.09358	0.2
169.10112	1.7
170.10916	1.0
171.08037	0.2
171.11696	3.1
171.13087	0.3
172.12427	0.6
173.09608	0.6
173.13269	5.2
174.13605	0.4
175.07581	0.2
175.11240	1.0
175.14816	4.7
176.15173	0.2
177.09245	0.3
177.12764	1.3
177.16402	1.2
179.14296	0.7
181.10205	0.3
182.10866	0.4
183.11693	1.7
184.12408	0.2
185.09686	0.3
185.11551	0.2
185.13249	4.2
187.11319	0.4
187.14818	9.6
188.15242	0.5
189.09129	0.2
189.12732	1.7
189.16383	2.2
191.14288	1.5
193.10078	0.2
193.15855	0.3
195.11742	0.4
197.13242	1.2
198.13896	0.2
199.11137	0.2
199.14810	3.6
200.15108	0.2
201.12794	0.6
201.16391	3.7
201.18158	0.3
202.16824	0.2
203.14320	4.8
203.18016	0.6
204.14806	0.2
205.12273	0.2
205.15891	2.7
207.11700	0.2
207.13649	0.2
209.13336	0.6
211.14801	1.1
213.16376	3.9
214.16820	0.2
215.14311	0.8
215.17892	0.9
217.12343	0.2
217.15887	2.0
217.19527	0.2
218.16446	0.2
219.13837	0.4
219.17480	0.6
221.13237	0.2
222.13838	0.1
223.14836	0.3
225.16409	0.6
227.14349	0.4
227.17926	1.9
229.15833	0.8
229.19467	0.3
231.13866	0.2
231.17430	1.4
233.15405	0.5
237.16348	0.4
239.17892	0.7
241.15910	0.3
241.19565	0.8
243.17403	0.4
243.21223	0.2
245.15321	0.2
245.19038	0.5
247.17094	0.3
251.18015	0.4
253.19467	1.2
255.17538	0.3
255.21069	0.6
257.19043	0.3
259.17038	0.2
263.17850	0.3
265.19485	0.2
267.17093	0.2
267.21106	0.4
269.19022	0.2
271.20615	0.3
273.18411	0.2
276.18646	0.1
277.19531	0.4
279.21182	0.3
281.19003	0.2
283.20541	0.2
299.19754	0.1
319.24207	0.3
325.21820	0.2
373.28976	0.6
381.31448	0.2
391.29929	1.6
393.31442	0.2
409.30939	0.9
411.19687	0.3
412.25604	0.2
419.29446	0.5
437.30463	0.5
455.31528	100.0
456.31851	10.3
472.34726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03977	1.2
55.01897	0.9
55.05508	4.3
57.07105	1.5
67.05505	4.3
69.03455	0.9
69.07067	7.7
71.05046	0.6
79.05501	6.0
81.07066	9.3
83.05033	0.7
83.07504	0.6
83.08659	2.6
86.31426	0.6
91.05486	7.8
91.05994	0.6
93.07051	17.8
95.05022	1.8
95.08611	15.7
96.08991	0.8
97.05062	0.6
97.06580	1.9
97.10221	1.1
105.07039	18.6
106.07347	0.6
107.08604	16.8
109.06551	1.9
109.10175	6.6
111.11707	0.9
117.07075	2.8
119.08585	41.0
120.08930	1.3
121.06573	1.3
121.10149	51.2
122.10473	1.6
123.08121	1.8
123.11732	4.8
130.07808	0.7
130.36349	0.7
131.08594	3.7
133.10138	19.5
135.08096	2.2
135.11700	13.7
135.12672	1.0
137.09648	1.3
137.13298	1.5
142.07805	0.6
143.08594	2.1
145.10127	13.7
146.10912	0.9
147.08060	1.4
147.11693	23.7
148.12064	1.2
149.09666	1.5
149.13287	1.7
151.14883	0.7
156.09251	0.6
157.10103	3.5
159.11710	6.0
160.12476	0.9
161.09636	1.2
161.13254	4.0
163.11186	18.8
163.14890	1.3
165.12787	2.3
169.10243	1.1
171.11707	2.1
173.09627	3.4
173.13271	3.6
174.14043	0.9
175.07690	0.8
175.14894	2.3
177.12784	1.8
177.16408	1.3
179.14265	0.8
183.11723	0.9
185.13309	2.1
187.11234	0.9
187.14841	4.2
189.16393	100.0
190.16734	5.8
191.10677	83.9
192.10965	4.1
197.13309	0.8
199.14714	0.7
201.12801	1.5
201.16423	2.5
203.14366	1.0
203.17961	2.0
205.15807	0.9
207.13786	3.9
207.17451	1.9
209.11748	13.7
209.13547	1.2
209.15045	0.6
213.12680	0.8
213.16330	1.7
215.14247	0.9
215.17955	1.3
217.15889	1.4
219.13792	2.4
219.17416	1.0
225.16238	0.7
229.16048	0.8
231.17549	0.7
233.15422	1.2
233.18941	0.8
235.16913	1.1
241.19481	0.9
243.17317	1.0
247.16872	0.8
249.18460	7.1
259.16943	0.7
273.18478	0.8
274.97937	0.6
283.20239	1.1
327.22989	0.7
359.27164	1.3
377.28000	1.8
395.29346	7.6
396.29688	0.7
409.30478	0.9
419.32925	0.9
437.34668	3.7
455.31061	56.3
456.31461	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	455.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01849	0.4
55.05511	3.3
55.77586	0.2
57.03442	0.4
57.07059	0.7
59.49877	0.2
65.03938	0.8
67.05502	10.4
69.03426	1.0
69.07070	3.9
69.19319	1.8
71.04994	0.4
71.08646	0.4
77.03928	0.4
79.05061	0.4
79.05490	5.1
81.03371	0.3
81.07055	9.5
83.04974	0.7
83.08625	1.8
85.02875	0.3
85.06551	0.4
91.05476	8.0
93.07041	11.2
95.04971	0.8
95.08604	19.0
96.08930	0.5
97.06524	1.2
97.10198	0.5
99.08097	0.4
103.05452	0.4
105.07035	14.6
107.08591	12.5
108.08915	0.4
109.06521	1.0
109.10151	12.4
110.10461	0.3
111.08075	2.1
115.05466	0.6
117.07009	2.9
119.08580	23.0
120.08919	0.4
121.06497	2.2
121.10143	8.7
123.08046	2.2
123.11721	1.2
125.09681	0.3
127.03833	0.4
128.06229	1.1
129.06981	2.4
130.07800	0.5
131.08569	10.3
133.06514	0.5
133.10130	9.0
134.10481	0.5
135.08043	3.2
135.11674	4.2
137.05997	0.4
137.09598	2.7
137.13239	0.5
141.06982	0.3
142.07797	1.1
143.08556	4.9
144.09306	0.8
145.10117	13.0
146.10515	0.3
147.08047	2.3
147.11671	6.4
148.12018	0.4
149.05946	0.5
149.09644	1.8
149.13261	2.3
151.07622	0.3
151.11177	1.0
153.09122	0.4
155.08537	1.2
156.09340	0.8
157.10124	5.5
157.11403	0.4
158.10875	0.8
159.08055	0.7
159.11693	7.4
160.12140	0.5
161.09616	1.7
161.13271	5.5
162.13565	0.3
163.07559	0.7
163.11209	0.9
163.14813	2.5
165.09163	0.3
165.12827	0.3
168.09383	0.3
169.10133	1.9
170.10928	0.6
171.11671	3.4
172.12527	0.3
173.13264	5.1
173.14632	0.5
175.11221	0.7
175.14804	4.2
177.09189	0.4
177.12756	1.1
177.16403	1.3
179.14284	0.5
181.10136	0.5
183.11673	1.3
185.13252	3.7
187.11234	0.4
187.14813	10.6
188.15178	0.8
189.09073	0.3
189.12735	1.1
189.16418	2.7
191.14337	1.6
195.11699	0.6
196.12425	0.4
197.13307	1.1
198.14084	0.4
199.14819	3.0
201.12831	0.7
201.16393	3.0
203.14307	6.8
203.17705	0.3
204.14624	0.3
205.15904	3.9
209.13255	0.6
211.14876	1.1
213.16371	3.5
213.55832	0.3
214.16856	0.3
215.14348	0.6
215.17990	1.4
217.15884	1.9
219.17451	0.5
221.13260	0.3
223.14812	0.5
225.16437	0.8
227.14371	0.6
227.17883	1.6
229.15904	0.9
229.19420	0.4
231.17474	1.0
233.15331	0.5
237.16313	0.4
239.18074	0.8
241.15797	0.4
241.19527	0.8
243.21294	0.4
245.15475	0.5
245.18916	0.5
251.17966	0.4
253.19496	0.9
255.17528	0.4
255.21040	0.6
257.19113	0.4
259.16956	0.4
269.18573	0.3
293.22635	0.3
309.25757	0.5
319.24191	0.3
373.28775	0.5
381.27786	0.4
391.29858	1.5
409.30670	0.8
419.29266	0.8
437.30225	1.3
455.31537	100.0
456.31949	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	455.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.00099	1.7
55.01865	5.5
55.05514	18.2
57.03428	6.3
57.07072	8.3
59.05005	9.0
61.02922	4.4
65.03939	1.6
67.05504	31.5
69.03419	11.9
69.07070	28.2
71.01354	2.8
71.04997	2.1
71.08612	2.6
71.11092	2.8
73.02907	6.6
79.05494	17.7
81.03415	6.0
81.07061	63.2
83.04976	6.3
83.08619	15.6
85.02906	36.8
85.06535	9.6
85.10158	1.6
87.04484	2.0
87.04999	1.5
87.80346	1.6
91.05470	14.8
93.07051	29.2
95.04963	7.3
95.08609	81.9
96.08920	2.8
97.02900	10.4
97.06530	6.8
97.10175	8.0
99.04438	2.8
99.08058	2.7
105.07034	24.0
107.04969	2.4
107.08594	31.7
109.02866	4.8
109.06519	7.1
109.10162	49.1
109.10899	2.7
110.10486	2.0
111.04449	5.6
111.08079	14.6
111.11729	7.7
115.03897	3.7
115.11245	3.2
117.07004	6.6
119.08577	33.6
121.06478	5.9
121.10140	21.4
123.04380	2.3
123.08050	5.7
123.11704	22.3
125.09632	4.4
125.13268	2.7
127.03905	6.4
129.05489	8.0
129.06993	2.4
131.08562	14.9
133.04968	7.2
133.10120	16.0
133.29597	1.7
135.08054	5.8
135.11699	15.0
137.09616	6.6
137.13246	17.8
139.11176	2.4
142.07829	2.8
143.08533	9.8
145.04926	4.1
145.10135	17.0
147.08051	5.9
147.11702	8.9
149.09613	3.2
149.13248	12.9
151.11157	3.3
151.14809	4.7
153.09164	8.2
155.08553	2.2
156.09328	1.8
157.10136	4.1
159.11728	12.3
161.09645	3.7
161.13243	9.7
163.11224	2.0
163.14839	9.3
165.09090	5.8
167.10840	2.3
169.10181	2.2
171.11655	3.9
173.13239	7.1
175.14793	6.0
177.16425	9.1
183.10176	2.8
185.13237	4.6
187.14807	11.2
189.12758	2.1
189.16333	3.7
191.14409	2.3
191.16399	4.8
191.17950	2.8
199.14845	3.6
201.16438	4.1
203.14313	3.4
203.17989	2.3
205.15894	3.0
205.19519	1.8
213.16341	4.4
217.15810	2.8
219.21101	2.2
221.15399	2.0
227.12967	2.2
227.17860	2.4
287.27289	1.8
303.26773	4.5
329.28357	1.9
341.28436	2.1
347.29321	2.4
383.29382	3.5
401.30548	6.5
419.31445	7.2
437.32373	5.4
455.31522	100.0
456.31906	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	455.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01861	5.4
55.05510	18.4
57.03418	5.6
57.07060	5.3
61.02926	2.9
65.03936	2.1
67.05184	2.4
67.05502	32.4
69.03426	13.6
69.06730	2.2
69.07069	31.9
71.01355	1.6
71.04971	6.0
71.30448	2.4
73.02890	5.3
79.05487	19.1
81.03416	7.2
81.07058	63.5
83.04952	6.8
83.08624	13.5
84.14629	1.3
85.02422	2.3
85.02898	24.7
85.06544	9.2
88.77581	1.6
91.05481	23.8
91.71079	1.4
93.07044	40.6
95.04969	8.4
95.08607	74.8
96.08909	1.8
97.02869	9.0
97.06516	7.9
97.10145	7.5
99.04425	2.1
99.08088	4.9
103.03980	2.0
103.05427	1.7
105.06386	2.2
105.07026	32.3
107.04922	2.0
107.08586	36.7
109.02869	3.3
109.06497	8.1
109.10152	53.8
110.10475	2.1
111.04421	4.3
111.08084	15.5
111.11728	7.1
115.03961	1.8
117.06986	8.1
119.04901	1.6
119.07779	2.7
119.08579	39.7
120.08868	3.2
121.06464	5.2
121.10134	28.9
123.08054	7.3
123.11697	21.1
125.09589	6.8
125.13236	3.5
127.03876	7.6
127.07489	1.7
127.11162	3.6
128.06192	4.4
129.05463	8.2
129.06969	3.8
131.04948	1.5
131.07738	1.5
131.08591	19.0
132.08952	1.8
133.04939	3.6
133.06485	1.9
133.10132	24.8
135.08055	11.0
135.11687	19.6
137.05980	2.0
137.09587	8.6
137.13245	13.1
139.07527	2.8
139.11131	2.2
139.69434	1.7
141.06908	2.7
141.09082	3.2
142.07773	2.6
143.08534	10.6
145.04927	3.1
145.06412	2.0
145.10109	21.7
147.07993	5.6
147.10828	1.3
147.11682	15.5
149.09619	7.6
149.13231	13.6
151.11142	3.8
151.14774	3.5
153.09064	4.8
155.08542	2.5
156.09317	2.6
157.10129	13.9
159.08073	2.9
159.11678	18.7
161.09590	5.2
161.13237	11.5
163.11143	4.8
163.14833	10.0
165.09071	8.7
169.10042	3.6
170.10844	1.7
171.07994	2.0
171.11670	8.6
173.09546	3.0
173.13243	10.7
175.11176	3.7
175.14825	12.8
177.12770	3.0
177.16336	6.5
179.14272	2.4
183.11684	5.3
185.13217	5.1
187.11168	2.9
187.14836	14.0
189.12711	4.4
189.16312	5.4
191.10529	2.0
191.14211	2.8
191.17876	2.6
197.13239	3.9
199.14795	4.6
199.87906	1.6
201.12718	2.9
201.16307	7.0
203.14270	9.1
203.17931	3.3
204.14595	1.7
205.15820	4.4
205.19449	1.6
209.11584	2.0
211.14766	3.3
213.16374	5.6
215.14259	1.9
215.17923	4.4
217.12219	2.2
217.15828	6.2
217.19627	3.2
218.22096	1.7
219.13541	2.3
219.17279	2.1
223.14716	2.1
225.16286	2.8
227.14459	1.9
227.17917	2.8
229.15794	2.6
231.17357	2.7
233.15244	2.0
235.16861	1.8
237.16223	2.0
239.17928	2.0
241.19456	1.9
253.19377	1.9
286.04016	1.5
291.26602	1.9
293.28409	1.7
303.26865	1.9
317.28308	2.0
383.29022	2.2
391.29688	2.7
401.30389	4.6
409.30725	2.8
419.31247	3.6
437.33679	6.0
455.18399	5.4
455.31281	100.0
456.31708	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	455.3523
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.03943	0.6
55.05512	3.0
57.07085	1.6
67.05501	3.9
69.07072	7.6
69.69363	2.5
71.04985	0.7
71.08625	0.7
78.14251	0.5
79.05494	3.2
81.07056	9.3
83.08636	2.6
85.06539	1.0
89.06027	0.6
91.05486	3.9
93.04657	0.5
93.07053	6.4
95.04979	0.9
95.08610	14.4
95.91859	0.5
97.10169	1.2
105.07037	4.6
107.08599	11.1
108.08964	0.9
109.06524	1.1
109.10165	8.3
111.11733	1.1
117.07040	0.9
119.08572	7.2
121.06515	12.0
121.10143	13.4
122.10467	0.8
123.08068	3.9
123.11711	13.7
123.12549	0.8
124.12090	0.6
125.09655	1.5
129.07030	0.7
131.08563	3.6
133.06506	1.2
133.08643	0.7
133.10133	4.5
135.08047	6.6
135.11681	3.9
137.09665	0.9
137.13295	2.6
139.07550	1.3
143.08620	0.9
144.09322	0.6
145.10120	4.9
147.08096	3.1
147.11687	2.7
149.09628	4.5
149.13309	1.4
151.14857	5.2
153.09171	0.9
157.10167	2.0
159.08060	12.2
159.11685	5.9
160.08411	0.6
161.09621	4.0
161.13304	2.3
163.11238	1.7
163.14870	3.3
169.10219	1.1
171.08215	0.5
171.11717	2.7
173.09624	3.5
173.13271	3.2
175.11183	4.3
175.14871	1.5
177.09068	0.9
177.12805	1.5
177.16385	3.5
180.49449	0.6
181.15906	0.6
183.11697	1.4
185.13354	1.7
187.11189	10.0
187.14844	2.2
188.11606	0.7
189.12756	2.8
189.16422	2.2
191.17970	1.7
193.16096	0.7
196.12416	0.6
197.13297	1.4
199.11267	0.8
199.14978	1.1
200.12007	0.9
201.12744	6.4
201.16463	2.3
203.18034	0.8
209.13391	0.9
211.14944	0.8
213.12784	1.0
213.16269	0.6
215.14334	1.5
215.18010	1.6
223.14862	0.7
225.16428	1.2
227.14417	0.8
228.15080	0.8
229.15895	5.6
233.15410	0.8
243.17413	10.8
247.17047	1.5
257.19061	2.0
261.18509	8.2
262.19098	0.6
275.20200	2.0
282.43677	0.6
283.20667	1.5
295.20529	0.8
297.22205	3.2
299.20154	0.8
301.21579	0.7
309.22134	1.5
327.23151	3.6
341.24814	1.5
395.33450	0.7
397.31076	1.4
401.32022	1.1
419.33008	2.7
437.34317	12.7
438.34662	1.1
455.35291	100.0
456.35602	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05509	3.4
57.03436	1.6
57.07079	2.3
62.76976	1.2
67.05502	6.7
69.03448	1.0
69.07072	8.3
69.11718	8.5
79.05495	7.2
81.07059	15.1
81.25161	1.2
83.05003	1.3
83.08611	3.1
85.06538	1.9
89.57016	1.1
91.05494	5.0
93.07040	17.0
93.76995	1.1
95.04982	2.6
95.08605	18.7
97.06522	3.0
99.08091	1.8
105.07035	14.2
107.05005	1.8
107.08595	22.4
109.06525	2.0
109.10149	12.8
111.08056	2.2
117.06996	2.3
119.08582	27.8
121.06503	2.7
121.10139	13.5
123.08073	2.5
123.11712	7.2
125.06003	8.9
129.06941	1.4
131.08612	4.6
133.10133	29.2
135.08086	5.0
135.11690	25.6
137.09599	2.6
137.13289	1.5
139.07556	4.1
143.08560	3.9
145.10110	12.4
147.08076	1.6
147.11679	15.6
149.09671	2.5
149.13225	5.9
151.11224	4.3
151.30672	1.2
157.10136	4.2
159.08044	3.2
159.11693	6.9
161.09677	3.4
161.13281	5.2
163.11211	1.8
163.14838	8.2
169.10156	2.4
171.11710	3.8
173.09636	6.7
173.13263	3.8
175.11183	6.7
175.14970	1.8
177.09160	5.0
182.10965	1.8
183.11674	1.7
185.13315	1.6
187.11179	11.9
187.14781	6.9
189.12801	2.4
189.16385	51.0
191.10670	3.6
196.12418	2.3
197.13277	4.6
199.14804	2.4
201.12816	1.3
203.17975	2.0
205.15910	5.2
205.19502	1.5
207.17448	100.0
208.17790	4.3
211.14850	3.6
213.16466	2.8
215.14307	17.7
229.15880	90.5
230.16260	4.5
231.17432	11.7
233.15356	37.8
233.18962	2.5
243.17488	5.2
247.16943	29.7
248.17241	1.9
249.18578	1.6
257.19095	2.8
269.19275	1.3
283.20636	5.1
285.21918	1.2
419.33289	3.7
437.34204	42.0
438.34616	3.4
455.35242	97.4
456.35687	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	455.3523
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
53.03947	4.0
55.05511	17.4
57.07076	8.1
59.93566	2.0
67.05508	14.1
67.94076	1.7
69.06379	10.9
69.07073	65.4
70.06593	2.8
71.05012	2.1
71.08649	3.6
79.05499	14.1
81.07064	33.7
81.07521	2.3
83.08638	10.6
83.92661	1.9
88.07688	3.3
91.05482	12.4
93.07047	37.6
93.07610	2.0
95.08613	62.4
96.08970	2.1
97.06530	3.6
97.10214	5.8
99.08140	3.7
102.09234	1.9
103.57134	1.8
105.07043	28.6
107.08601	63.1
108.23698	2.2
109.06560	2.5
109.10168	39.3
111.08124	2.5
111.11717	24.2
111.12383	1.8
117.07057	3.1
119.08587	48.3
120.08971	2.4
121.06575	3.2
121.10149	69.5
122.10522	2.3
123.08135	6.6
123.11724	19.3
125.09695	2.4
125.51389	2.1
131.08595	9.9
133.10138	40.1
135.08098	7.0
135.10687	3.3
135.11691	31.1
137.09697	2.3
137.13289	11.5
143.08638	2.1
145.10133	22.4
145.11046	1.6
147.11707	29.4
147.12747	2.5
149.09676	5.5
149.13268	13.1
151.11255	3.6
156.93060	2.2
157.10245	5.5
159.11690	13.6
161.09692	5.7
161.13274	29.7
161.14552	2.4
163.11177	10.9
163.14827	29.0
165.12805	4.4
171.11781	3.2
173.13251	11.8
175.11211	2.5
175.14841	16.4
177.12849	6.9
177.16385	19.3
179.14325	3.2
183.11684	2.4
185.13304	3.8
187.14793	15.6
189.12749	4.1
189.16408	16.1
191.14354	4.3
191.18077	6.4
197.13326	2.4
199.14911	4.3
200.20120	11.1
201.12761	1.9
201.16341	13.3
203.14572	1.9
203.17987	24.4
205.15883	12.7
205.19632	5.0
207.17543	2.7
209.13611	1.9
211.14844	2.8
213.16447	2.9
215.18050	4.2
217.16011	4.0
217.19518	21.2
217.21112	1.7
219.13930	2.1
219.17503	3.8
229.19482	2.4
231.17473	3.7
231.21109	9.6
233.15474	2.8
233.19060	2.0
241.19719	2.2
242.67909	1.8
243.21103	3.5
255.21178	3.8
257.22693	8.9
283.26422	11.8
299.23718	12.1
299.26950	2.4
313.25369	5.2
327.23361	4.1
331.11279	2.4
345.24487	2.6
359.26047	5.7
375.03687	2.0
391.33545	2.2
395.29318	2.6
409.34738	32.1
410.35242	3.0
419.33411	5.6
437.34485	23.4
438.34589	3.4
455.35434	100.0
456.36090	10.6
456.44116	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	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
50.06801	1.9
52.99088	1.8
55.05524	11.1
57.07067	7.1
67.05503	13.5
69.03449	3.7
69.07087	14.5
69.72693	8.5
74.55553	2.0
79.05477	5.9
81.07055	27.9
83.04993	4.0
83.08614	7.5
83.72820	2.0
88.07592	3.2
91.05474	6.2
93.07047	17.8
95.08617	33.9
97.06535	3.7
97.10201	3.9
98.22646	2.8
99.75499	1.7
105.07053	13.0
107.08590	28.0
109.06518	4.4
109.10162	27.9
111.11663	3.0
113.06004	3.0
117.07053	3.1
119.08586	22.1
121.06540	2.5
121.10152	28.0
123.08063	3.8
123.11739	14.3
131.08554	6.6
133.10135	20.0
135.08047	4.0
135.11728	17.0
137.09608	6.3
137.13237	6.8
139.07532	2.6
143.08525	4.2
144.46756	2.0
145.10161	9.8
145.84164	1.8
147.07999	3.9
147.11703	11.0
149.09642	5.6
149.13266	38.6
151.11203	4.1
157.10135	8.6
159.11722	11.5
161.09602	5.4
161.13254	7.8
163.11230	3.7
163.14830	6.2
165.12726	3.0
169.10115	2.3
171.11700	6.8
173.09573	3.0
173.13263	8.6
175.11139	6.2
175.14876	4.5
177.12769	3.7
177.16431	5.4
181.12216	3.6
183.11749	2.0
185.13240	5.0
187.14804	5.8
189.16403	6.3
191.14290	12.9
191.17934	5.8
199.14903	3.6
200.20151	5.3
201.16388	4.5
203.14359	2.9
203.17987	4.5
205.15939	2.4
205.19533	2.5
207.17516	3.7
211.14958	2.2
213.16394	4.1
214.13432	2.0
215.14359	3.9
215.17868	3.4
217.19582	6.1
219.17467	2.9
229.15964	6.2
231.13802	2.1
231.17526	3.2
233.15411	8.2
255.21016	4.8
283.26343	5.0
341.28372	2.3
391.33435	2.7
393.31396	2.4
395.33145	4.8
402.43561	2.4
409.34540	5.7
419.33047	8.9
437.29379	1.4
437.34134	71.9
438.34485	7.9
455.35162	100.0
456.35205	10.5
456.44055	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	455.3519
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
51.09134	6.7
52.20196	7.7
52.55534	7.8
55.05518	14.4
67.05511	32.6
69.07078	23.1
71.32000	9.7
79.05503	28.6
81.07062	69.7
83.08632	9.5
85.06527	9.7
91.05495	29.4
93.07043	70.9
95.05049	7.7
95.08604	100.0
96.51368	9.4
97.06503	8.3
105.07044	55.4
107.08604	93.6
109.10169	66.7
111.08073	18.0
115.07555	12.3
117.06969	15.8
119.08566	77.4
119.11060	8.7
121.10160	78.8
122.01256	9.4
122.52428	8.2
123.08083	16.1
123.11726	19.5
131.08585	39.1
133.10114	66.8
135.08073	9.4
135.11739	28.2
143.08589	22.2
145.10165	47.7
147.11711	54.5
149.13295	28.4
157.10197	17.5
159.11708	45.6
161.13345	30.4
163.14833	13.8
171.11705	23.7
173.13293	32.8
175.14778	29.1
185.13358	19.3
187.11224	9.7
187.14876	28.9
189.16437	23.2
199.14882	25.8
201.16437	34.4
203.14418	16.7
203.17992	16.8
204.19833	8.7
207.11909	10.4
211.14890	12.2
213.16447	12.3
215.17963	19.8
217.19528	10.1
219.17467	8.3
229.19675	9.7
311.23898	11.6
340.50528	9.0
371.35703	11.6
376.58057	9.3
419.32886	26.1
437.34473	40.8
455.23865	12.7
455.35751	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03958	1.3
55.01865	1.1
55.05509	8.6
57.07073	5.2
59.05009	1.7
67.04906	1.0
67.05508	10.4
69.03435	2.0
69.07070	15.7
69.29967	5.4
71.04993	2.5
71.08633	1.4
79.05493	9.2
81.07061	21.5
83.04982	2.0
83.08624	6.1
88.07628	1.0
91.05485	8.2
93.07043	18.3
95.04977	3.3
95.08608	29.1
96.08925	1.2
97.06549	3.7
97.10186	3.0
105.07027	16.5
107.08595	26.6
107.09288	1.8
109.06526	3.6
109.10153	18.1
109.10819	1.6
109.73017	0.9
111.08045	1.7
111.11720	1.8
113.06057	1.9
117.07032	3.5
119.08583	31.1
121.06532	3.1
121.10149	21.4
123.08082	3.3
123.11707	7.8
125.09643	2.7
129.07048	1.8
131.08545	8.1
133.10130	21.3
135.08051	7.5
135.11702	17.2
136.12059	1.3
137.09653	3.8
137.13275	3.5
142.32095	0.8
143.08592	3.3
145.10114	14.6
147.08081	2.6
147.11700	14.1
149.09637	2.6
149.13252	13.0
151.11224	1.7
155.08632	1.7
156.09343	1.3
157.10159	6.5
159.08099	1.7
159.11690	8.9
161.09610	5.2
161.13243	5.7
163.07590	2.6
163.11203	2.0
163.14854	4.5
165.09088	1.1
165.12770	1.2
168.09068	1.1
169.10164	2.2
170.10909	1.2
171.11676	5.0
172.12448	1.6
173.09633	3.8
173.13252	6.9
175.11151	8.7
175.14861	3.9
177.09055	1.1
177.16435	3.7
178.09929	1.4
181.10202	0.9
183.11748	2.3
185.13275	3.3
187.11218	2.1
187.14816	7.9
189.12805	3.2
189.16385	20.5
190.16759	1.5
191.14333	3.1
191.18044	2.3
197.13292	2.7
199.14864	2.5
200.20058	1.1
201.12823	1.1
201.16472	3.2
203.14326	2.0
203.18018	2.4
205.16003	2.9
205.19490	1.1
207.17441	19.6
211.14874	3.9
213.12823	1.6
213.16505	2.2
215.14308	12.9
215.17984	1.6
216.14587	1.4
217.15938	3.5
223.14925	1.0
225.16434	1.4
227.18001	1.5
229.15868	5.7
231.17374	1.7
231.21086	1.1
233.15364	8.6
239.17912	1.3
243.21062	1.3
247.16873	2.2
253.19498	1.4
255.21182	1.3
283.26498	2.4
323.27161	1.0
325.28845	2.2
369.28149	1.3
385.27118	1.2
391.33679	1.3
395.33188	1.3
397.30963	18.2
398.31607	1.8
407.33527	1.3
411.33038	1.2
419.33057	6.5
437.34131	100.0
438.34479	10.6
455.35199	86.4
456.35492	11.4
456.44147	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	455.3521
Annotation	Embelinone
Peak:m/z	Relative Intensity
52.72816	0.5
53.03954	0.5
55.05517	2.8
57.07066	2.3
58.24221	0.4
63.20470	0.4
65.39201	0.5
67.05505	4.5
67.88177	0.5
69.03429	0.5
69.07073	5.6
70.06594	0.5
71.04970	0.6
71.08654	0.8
76.32954	0.4
79.05516	2.7
81.07061	8.2
83.04956	0.4
83.08626	3.4
88.07605	0.6
90.33699	0.4
91.05494	2.2
93.07050	4.4
95.04960	0.7
95.08613	12.7
97.06561	1.0
97.10166	1.2
98.23341	1.8
99.08147	0.5
105.07040	4.9
107.08601	7.7
109.06541	1.3
109.10156	7.6
111.08059	0.9
111.11737	1.0
117.07040	1.1
119.08589	8.1
121.06535	0.7
121.10155	7.2
123.08099	1.1
123.11697	3.8
125.09607	0.6
131.08574	3.5
133.10129	6.5
135.08061	1.8
135.11673	4.1
137.09642	1.0
137.13272	2.0
143.08595	1.8
145.10098	4.8
147.08022	0.7
147.11665	3.4
149.09641	1.2
149.13263	1.8
151.11150	0.8
155.08531	0.8
156.09381	0.6
157.10129	2.4
158.10884	0.7
159.11699	3.3
161.09674	1.5
161.13257	1.8
163.11191	1.1
163.14861	1.1
169.02650	0.8
169.10124	0.9
170.10947	0.6
171.08165	0.6
171.11726	2.3
173.09642	1.0
173.13287	8.3
175.11235	0.8
175.14838	1.7
177.16359	1.3
183.11726	0.6
185.13309	2.5
187.11255	1.0
187.14801	2.7
189.12750	1.2
189.16400	2.0
191.14215	0.6
191.17963	2.0
197.13268	0.7
199.11186	0.7
199.14883	1.3
200.20145	1.0
201.16449	1.4
203.17978	2.0
205.15842	0.8
209.13278	0.7
211.14851	0.9
213.12802	1.8
213.16451	0.8
215.14412	1.0
215.17949	0.9
217.15857	0.7
217.19604	0.9
218.77989	0.6
223.14708	0.6
225.16376	0.8
227.14406	1.5
229.15959	0.6
229.19606	1.0
229.56050	0.6
233.15442	1.7
233.18887	0.6
241.15869	0.5
255.17560	0.5
281.19000	1.3
283.20313	0.5
283.26346	0.8
299.20148	0.9
323.23972	0.6
341.28186	0.8
369.31784	0.6
401.32492	0.6
411.79788	0.5
419.32999	2.5
437.20343	0.8
437.34247	14.8
438.34488	1.8
455.35214	100.0
456.35547	12.2
456.44278	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05523	3.1
56.67421	0.5
57.07064	1.8
67.05521	3.9
69.07069	6.8
69.27297	4.6
69.72429	0.6
71.04993	1.0
79.05497	3.4
81.07060	11.5
83.04963	0.7
83.08621	1.9
91.05470	3.5
93.07050	5.5
95.04964	1.3
95.08611	15.3
97.06548	0.8
97.10172	1.1
98.22597	1.1
105.07048	5.5
107.08591	10.3
107.09277	0.8
109.06514	1.6
109.10162	8.9
111.11723	1.7
117.07018	0.9
119.08574	7.1
121.06456	0.8
121.10142	9.0
123.04550	0.5
123.08084	2.3
123.11703	6.4
129.06981	0.7
131.08585	4.0
133.10141	9.4
135.08057	2.2
135.11703	5.2
137.09604	1.2
137.13290	4.0
142.07796	0.8
142.18575	0.5
143.08565	1.9
145.10147	5.2
147.08022	1.5
147.11700	4.8
149.09602	2.1
149.13260	1.9
157.10161	3.0
159.08089	0.7
159.11711	4.7
161.09633	2.2
161.13243	2.6
163.11177	1.5
163.14839	0.9
169.10138	1.2
171.11656	3.1
173.09642	1.7
173.13258	6.5
175.11259	1.8
175.14874	1.7
177.12697	0.6
177.16408	0.6
181.10182	0.6
183.10182	0.7
183.11711	1.6
185.13269	2.0
187.11224	0.8
187.14827	3.7
189.12718	1.3
189.16411	1.3
191.14377	1.2
191.17955	1.0
195.11752	1.0
197.13281	1.3
199.11124	0.7
199.14847	1.2
201.16414	0.9
203.18008	1.1
205.15930	1.1
209.13258	1.6
211.14850	2.3
213.12810	2.0
213.16444	1.5
215.14320	1.4
215.17993	0.9
219.13797	4.2
221.13295	1.1
221.15353	0.6
223.14824	1.4
225.16446	1.3
227.14427	0.7
227.18176	0.6
229.15933	1.3
229.19481	0.9
231.13937	0.7
239.18044	1.0
241.15877	0.6
242.58980	0.7
245.19104	0.9
251.14439	1.2
253.19600	1.0
255.21190	1.0
263.18021	1.8
266.16690	1.7
267.17459	0.7
269.15366	1.0
269.18719	0.7
281.19086	4.2
299.19958	2.8
313.21667	0.7
367.30023	1.8
401.31787	1.0
419.33084	3.8
437.34140	100.0
438.34491	12.5
455.35291	17.2
456.35605	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	456.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47995	0.9
53.03947	2.2
55.01860	2.4
55.05505	2.9
57.03433	2.8
61.02920	1.6
65.03911	2.2
67.05508	8.1
69.03429	6.3
69.07059	3.9
71.04999	2.9
71.30865	1.3
71.31223	1.1
72.08161	11.3
73.02908	4.0
79.05496	4.2
81.03408	3.1
81.07064	6.8
82.07394	1.3
83.04974	2.2
85.02908	9.4
85.06553	1.4
86.06077	2.7
86.09689	1.7
87.00843	2.2
91.05478	12.0
93.07036	7.9
95.04976	4.1
95.08623	6.9
97.02910	6.0
97.06524	3.2
99.04461	1.8
100.07608	1.0
105.01849	1.2
105.07038	10.3
106.07363	1.3
107.04953	1.6
107.08590	6.5
108.08945	1.6
109.02850	2.6
109.06528	9.8
109.10160	7.0
111.04433	1.3
111.08045	1.4
116.10728	3.0
117.07068	2.1
119.04945	100.0
119.08578	9.7
120.05273	1.4
120.08907	2.5
121.06496	3.4
121.10126	4.8
123.08065	3.0
123.11655	1.4
124.07612	1.1
127.03919	4.4
129.01849	1.2
131.08554	6.6
132.08916	1.4
133.04984	1.4
133.10149	7.8
134.10497	1.5
135.08099	2.7
135.11696	2.8
136.08409	1.3
137.09616	1.7
139.11206	1.6
143.08562	1.7
144.08958	1.2
145.04964	2.5
145.10133	6.8
146.10483	2.8
147.08102	2.0
147.11658	6.1
149.09676	1.7
149.13295	1.0
151.07597	1.5
153.08978	1.1
155.08572	1.3
157.10139	2.8
159.11649	4.0
160.12068	1.2
161.09645	1.5
161.13292	2.4
163.07623	4.9
163.11220	1.3
165.09163	2.2
171.11682	2.0
172.12013	1.1
173.13284	6.4
174.13522	1.1
185.13295	2.1
187.11157	1.5
187.14830	4.1
188.15100	1.5
189.12682	6.0
190.12126	13.1
191.10745	1.6
191.12769	1.4
191.14291	6.3
193.12268	1.7
199.14844	1.9
201.16370	4.5
202.16678	2.6
203.14438	1.2
205.12273	1.8
207.13791	1.4
208.13344	21.7
209.15411	2.0
217.90656	1.1
227.17873	1.3
265.11880	3.0
294.17532	2.3
321.75537	1.0
342.22818	1.6
386.18652	2.4
393.19629	1.1
408.45593	1.1
413.17722	2.3
438.30035	1.5
455.31467	6.1
456.22751	57.2
456.31815	13.8
457.16696	4.2
457.24005	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33327	4.4
53.03934	6.7
55.01876	5.9
65.03940	12.0
67.05497	18.1
69.03420	15.2
71.34460	4.7
79.05502	15.3
80.79086	4.1
81.07058	13.1
85.02905	10.7
85.06561	5.9
91.05485	44.4
93.03399	13.8
93.07035	10.7
95.04989	10.6
95.08610	19.0
96.08922	6.5
103.05448	9.6
105.04559	5.5
105.07021	30.1
107.08592	11.7
109.10149	6.0
115.05451	27.8
117.07037	8.4
119.08585	11.5
121.10130	6.5
122.79505	5.2
126.69829	4.4
128.06215	93.5
129.07047	32.3
131.08545	9.6
133.06485	7.3
133.10158	9.2
135.08055	5.7
141.07008	30.2
142.07733	15.0
143.08592	38.1
145.06459	31.4
145.10094	8.2
152.06223	5.9
153.07013	11.4
155.06070	6.6
155.08505	7.7
156.09422	7.4
157.06473	5.4
157.10199	7.4
158.07234	9.8
165.07013	21.2
165.09061	7.8
166.07761	8.1
169.06487	10.4
171.08052	45.3
171.11632	9.8
184.08783	7.0
199.11183	100.0
200.11444	6.6
217.12228	14.3
219.78455	4.4
229.81958	5.7
259.13297	9.8
300.32306	4.8
456.31140	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01872	3.5
55.05511	2.1
56.85179	0.5
57.03440	5.6
57.07074	0.7
59.04974	0.6
61.02928	3.5
67.05500	2.8
69.03429	9.0
69.07069	3.1
70.06589	3.4
70.27007	1.2
70.27364	1.8
71.01342	1.2
71.04996	19.1
72.08149	2.3
73.02924	10.9
79.05509	3.5
79.98109	0.6
81.03412	2.9
81.07061	6.9
83.01363	0.7
83.04975	1.8
83.08676	0.7
84.04487	1.0
85.02910	14.6
85.06544	2.3
86.09691	1.2
87.00826	1.2
87.04481	1.0
91.05489	3.3
93.07047	4.7
95.04976	5.6
95.08598	1.4
97.02892	10.6
97.06519	2.2
99.04474	2.4
100.12820	0.6
103.03938	0.8
105.07032	4.5
107.04910	0.7
107.08607	2.8
109.02861	3.1
109.06540	5.2
109.10152	1.8
110.07186	1.1
111.00784	1.1
111.04427	0.7
113.06033	0.7
115.03971	3.7
116.07155	0.8
117.07015	0.9
119.08610	1.5
121.06479	1.4
121.10168	3.9
127.03924	8.5
127.11196	100.0
128.11545	2.2
129.01813	0.8
131.08566	1.3
133.04977	3.8
133.10132	1.2
135.08102	1.0
135.11674	1.1
137.05984	1.8
139.11200	1.8
145.04944	5.1
145.10249	3.8
145.12236	29.7
146.12529	1.2
149.05884	0.7
149.09596	3.2
151.07509	3.1
156.07617	0.6
161.13062	0.6
163.06035	1.5
163.11194	1.7
165.09114	0.6
173.09636	1.0
181.12254	0.8
187.11162	1.4
191.10666	4.2
191.14246	1.9
205.12228	1.5
209.04459	1.6
209.11722	2.2
209.15398	1.1
217.55273	0.6
231.05008	2.0
233.11768	1.5
239.11830	0.8
251.12761	1.1
259.08127	1.2
270.13724	1.2
338.07507	1.1
379.29910	0.7
439.16052	0.7
453.90286	0.7
456.18625	0.6
456.22668	2.6
457.15500	1.1
457.20538	1.1
457.25104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01867	2.9
55.05518	3.9
57.03438	2.3
57.07075	15.4
59.05002	100.0
61.02935	1.7
67.05501	7.9
68.05856	0.9
68.99818	0.8
69.03434	18.0
69.07076	3.5
69.17413	2.7
69.17840	4.0
71.04996	2.1
73.02925	1.4
77.06055	0.9
77.22847	0.8
79.05487	4.3
81.03423	6.8
81.07048	8.3
82.03763	0.8
82.07401	1.5
83.04974	1.2
83.08621	1.6
85.02907	19.2
87.00831	9.6
91.03963	0.8
91.05489	7.0
92.05840	1.4
93.07043	6.5
94.07417	1.5
95.08616	12.6
96.08972	2.6
97.02901	6.7
97.06546	1.5
97.10193	1.3
99.04472	2.5
101.09640	0.8
105.01864	6.7
105.07029	8.3
106.07372	2.4
107.08588	8.5
108.08927	1.5
109.02899	5.7
109.06519	1.8
109.10173	7.4
109.28620	0.8
110.10526	2.9
111.08086	2.0
115.10402	1.7
115.11206	31.4
116.11568	0.8
117.01869	1.0
117.06998	1.7
117.09167	2.1
119.08569	11.3
120.08912	4.6
121.06514	2.3
121.10157	6.2
121.43150	0.8
122.06827	0.7
122.10504	1.8
123.08060	1.9
123.11728	3.3
127.03900	8.6
127.04612	0.8
129.06993	1.2
131.08574	4.5
132.08913	1.5
133.10143	5.4
134.10497	2.0
135.08076	3.4
135.11728	1.9
137.09633	1.6
138.10011	0.8
141.84732	0.7
143.08586	2.2
144.08992	0.9
145.04984	2.8
145.10147	5.7
146.10490	2.6
147.08052	0.7
147.11650	3.8
148.12042	1.3
149.09639	1.2
149.13341	0.8
151.75183	0.9
155.08623	0.8
156.09076	0.8
157.10136	2.5
158.10603	1.3
159.02908	3.3
159.11633	4.1
160.12054	2.1
161.13272	2.3
162.13593	1.3
163.11191	1.5
163.14873	2.1
169.10066	0.8
171.11679	1.4
172.12190	0.8
173.13249	4.3
173.15379	6.3
174.13695	0.9
175.14957	1.4
183.11800	1.2
185.13245	0.9
186.13655	1.5
187.14864	3.9
188.15184	1.8
189.12726	1.1
190.06973	0.8
191.14406	6.6
191.16414	43.1
192.16766	1.9
199.14944	1.6
201.16400	1.5
203.14394	2.2
204.14751	1.6
205.12299	0.9
205.15843	0.8
209.15442	3.3
213.04041	1.2
214.16722	1.3
231.05055	1.6
234.70731	0.8
258.87762	0.8
455.31766	3.7
456.31906	65.8
457.32352	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
54.13948	0.6
55.01877	4.4
55.05513	9.8
56.05850	1.6
57.03439	4.8
57.06795	1.1
57.07077	21.0
57.35600	0.7
58.07424	0.9
59.05005	99.5
60.05322	0.9
61.02932	3.4
65.03928	1.2
67.05510	19.2
68.05852	3.7
68.99801	1.0
69.03432	12.9
69.03770	1.2
69.07068	12.5
69.07575	5.6
70.07416	3.5
71.04989	2.9
71.08643	1.0
73.02923	4.2
77.03903	0.7
79.05503	9.6
80.05841	2.1
81.03425	9.5
81.03863	1.0
81.07063	32.6
82.03764	0.8
82.07403	6.7
83.04997	2.7
83.08624	7.5
84.08945	1.5
84.76049	0.8
85.02909	33.2
85.06522	4.3
86.03255	2.3
87.00833	10.2
87.04482	1.4
91.05484	10.6
92.05834	2.9
93.07048	18.5
94.07377	4.1
95.04977	4.9
95.08613	38.9
96.08944	10.2
97.02901	9.1
97.06545	3.3
97.10166	4.8
98.03263	0.9
98.10517	1.1
99.04435	4.5
99.08092	1.1
103.05507	0.9
105.01870	5.2
105.07031	15.9
106.07361	4.6
107.04994	1.7
107.08605	16.0
107.24668	0.6
108.08942	6.2
109.02879	6.8
109.06538	3.3
109.10161	26.0
110.06861	1.0
110.10497	7.9
111.04472	2.6
111.08072	5.8
111.11738	3.2
112.08443	2.2
112.12082	0.9
115.03963	1.8
115.05486	1.2
115.11217	34.6
117.01882	0.9
117.07030	4.4
117.09197	2.3
118.07362	1.1
119.08585	20.3
120.08918	6.6
121.06528	3.2
121.10145	11.3
122.10474	3.6
123.08081	4.1
123.11716	8.6
124.08407	1.2
124.12050	3.0
125.09635	1.6
127.03915	11.8
128.04315	0.9
129.01915	0.7
129.05490	3.2
129.06999	2.6
130.05830	0.7
131.08582	10.0
132.08937	3.1
133.05000	2.7
133.10138	11.1
134.10480	4.4
135.08047	4.3
135.11694	7.1
136.08485	1.0
136.12044	3.5
137.06003	0.8
137.09645	3.1
137.13263	5.2
137.66403	0.7
138.09978	1.2
138.13597	3.2
139.07559	0.9
142.07773	1.0
142.09566	0.8
143.08598	4.3
144.08907	1.9
145.04984	4.7
145.10132	11.5
146.10472	4.9
147.08171	1.6
147.11708	6.0
148.08392	1.3
148.12056	3.1
149.09634	2.5
149.13271	4.7
150.10019	0.8
150.13608	3.0
151.11205	1.3
151.14803	0.8
152.11537	1.0
152.15173	1.2
153.05428	0.7
153.09117	2.7
155.08531	1.2
157.10138	4.3
158.10521	2.4
159.02913	2.4
159.11674	5.8
160.12076	2.4
160.14169	0.8
161.09604	1.3
161.13303	5.1
162.10007	1.0
162.13589	3.5
163.06032	1.0
163.11226	1.4
163.14832	3.1
164.15228	2.2
165.09151	2.9
169.10098	1.7
171.11707	1.9
172.12088	1.1
173.13254	3.9
173.15375	5.6
174.13660	2.7
175.11302	1.5
175.14867	3.0
176.15198	3.0
177.16402	2.7
178.16743	1.9
179.10730	0.9
183.10205	1.2
184.12086	0.7
185.13326	1.4
186.13588	2.3
187.11224	1.3
187.14821	6.6
188.15205	5.5
189.12756	1.1
189.16451	2.0
190.12982	0.8
190.16745	1.5
191.14589	2.2
191.16428	49.6
192.14653	0.7
192.16817	1.5
199.14906	2.3
200.15210	1.7
201.16415	2.3
202.16728	1.5
203.14400	3.5
204.14671	2.1
205.15906	2.4
206.16269	1.1
209.11691	1.0
213.16432	2.1
214.16759	2.4
216.14667	0.9
217.15981	1.3
225.16563	1.0
226.16692	1.1
228.18364	1.1
231.04918	1.1
231.21654	0.9
254.20058	1.1
282.52164	0.7
293.28577	1.2
294.28851	1.1
304.26871	0.9
305.28558	1.0
306.28583	0.8
330.28860	1.0
345.28510	0.7
384.29755	1.6
392.30060	1.0
402.30774	2.3
410.31137	1.3
420.31705	2.3
438.33044	1.4
455.31522	9.4
456.31909	100.0
457.23990	2.1
457.32211	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	456.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05519	4.2
57.07080	21.3
58.06599	1.9
61.82892	0.6
67.05511	5.7
69.03446	0.5
69.07078	7.3
69.34755	3.7
69.72215	0.5
70.06598	19.4
71.04998	2.1
71.08638	12.4
73.02917	2.5
79.05487	3.0
81.07063	8.8
83.08624	4.6
83.52090	0.6
85.06551	1.6
85.10192	3.7
87.93304	0.5
88.07639	25.4
90.90051	0.5
91.05499	2.5
93.07056	4.7
95.08617	11.0
96.08951	0.7
97.06525	0.8
97.10186	2.2
99.04455	0.7
102.08540	1.3
102.09186	16.6
105.07017	3.8
106.08683	1.1
107.08595	5.4
108.08956	0.8
109.06493	0.7
109.10161	7.0
111.08089	0.6
111.11691	0.8
117.07047	0.7
119.08589	5.1
121.06537	1.6
121.10136	6.6
122.10500	1.2
123.08078	1.0
123.11694	4.1
127.11200	1.4
131.08630	1.7
133.10168	3.0
135.08076	0.8
135.11691	4.0
137.09598	0.7
137.13271	1.4
143.08609	0.9
145.10164	1.8
147.11716	2.3
149.09598	1.1
149.13293	2.2
151.11172	0.7
153.12843	0.8
156.17522	1.1
157.10129	1.5
159.11731	2.4
161.13277	2.3
163.11240	1.1
163.14807	0.8
171.11674	1.0
173.13306	1.8
174.18542	0.7
175.11055	0.7
175.14850	1.5
177.16377	1.2
181.12314	1.4
184.10620	0.5
187.11183	0.8
187.14807	1.1
189.12735	0.7
189.16373	2.6
190.16716	0.6
191.17845	1.2
197.13190	0.8
200.20108	71.4
201.16461	1.5
201.20401	3.0
203.18016	0.9
204.18422	0.7
215.17955	1.4
217.15929	0.7
217.19568	1.0
218.21236	6.6
219.17328	0.9
227.17830	0.7
229.15889	0.6
230.16554	0.6
241.19678	0.7
243.17442	1.2
249.18739	1.0
261.18597	2.1
283.26331	69.0
284.26688	4.1
371.29419	0.8
438.34528	1.5
439.35849	2.1
456.36200	3.3
456.44150	100.0
457.36938	2.3
457.44272	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	457.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13165	5.2
53.51305	5.1
56.96567	5.6
65.28536	5.2
70.06595	14.6
71.27120	7.9
76.78889	4.6
85.02905	6.7
85.99979	4.8
98.23422	5.1
112.89630	5.4
114.89349	98.3
200.13185	5.2
200.17398	4.6
223.23241	5.3
234.54996	7.2
238.23735	5.1
241.22664	5.4
247.04971	5.4
260.39584	4.9
275.10657	6.0
286.88513	4.8
295.07599	7.3
413.08139	10.4
457.06497	100.0
457.12024	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	457.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	6.8
58.01865	2.1
59.52377	2.4
67.05505	2.9
69.03442	2.6
69.42996	10.1
70.06591	22.0
72.08150	2.5
81.07026	2.9
84.08156	5.9
85.02892	3.5
86.06081	3.0
86.09705	5.7
95.04935	2.7
97.02886	4.1
97.06506	4.9
98.97583	12.5
105.05970	2.6
110.07144	3.0
110.97603	4.9
116.98633	7.4
128.98621	7.1
129.10245	4.0
134.99638	4.2
139.03906	6.1
146.99718	3.8
165.05492	5.9
167.14397	2.7
177.05478	3.8
178.06268	2.4
202.96414	2.3
203.10266	3.9
211.99921	3.3
219.01822	10.5
230.01003	9.4
237.02850	19.0
248.01949	4.5
253.07002	4.1
287.04404	4.4
295.04950	2.6
299.07526	4.6
371.06677	7.8
389.07553	11.0
395.13269	2.8
413.08401	14.2
414.09671	2.6
457.07425	100.0
457.13516	5.8
458.07693	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	457.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29211	3.3
52.47488	3.4
55.14109	3.7
55.92269	3.2
56.96581	3.9
61.56768	4.0
69.03455	5.0
69.53659	18.8
70.06590	28.0
72.08151	10.0
84.04478	4.9
84.08143	11.7
85.02932	8.3
86.09733	12.3
91.31274	3.3
95.04929	4.1
97.02934	3.9
97.06554	4.3
98.22530	4.5
98.97600	23.6
101.78577	3.3
102.43022	3.2
107.08694	3.5
109.06512	3.6
110.07191	5.5
110.97585	4.6
116.98641	12.1
123.04422	6.8
126.69418	3.6
128.98618	7.5
129.10292	5.8
134.99689	4.5
136.07642	4.1
139.03914	10.1
141.05644	3.7
143.62880	3.6
146.99628	8.2
163.03920	6.3
165.05501	5.6
167.03433	3.9
177.05449	5.3
178.10283	3.3
193.04980	3.6
203.10287	5.2
219.01787	8.4
230.00999	8.7
237.02840	29.7
244.76843	3.6
253.07141	5.5
255.04025	5.2
263.86203	4.0
287.04443	10.5
337.10846	3.9
370.11429	5.2
371.06689	7.5
389.07495	12.5
395.13138	4.7
413.08286	15.4
430.62076	3.5
457.07397	100.0
457.13834	7.0
457.21210	4.3
458.07651	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.4
55.01867	3.8
55.05513	4.9
56.17736	0.8
57.03433	2.6
57.07065	3.3
59.05012	1.2
61.02933	1.2
65.03928	1.5
67.05515	4.7
69.03435	13.8
69.07077	9.7
69.34518	6.1
70.06585	1.3
71.01338	0.9
71.04993	4.1
73.02914	3.4
77.03886	0.9
79.05497	25.7
81.03432	12.0
81.07061	67.6
82.07398	1.1
83.04978	6.3
83.08611	5.6
83.09628	1.0
85.02913	17.8
85.06546	4.2
86.06921	0.9
87.00835	6.5
87.04475	1.5
91.05492	5.4
93.07049	13.2
95.04963	6.3
95.08615	6.5
97.02882	11.4
97.06544	5.8
98.23396	1.8
99.04472	4.3
105.01851	2.7
105.07042	6.8
107.08598	10.2
109.02869	7.9
109.06522	100.0
109.10169	5.6
110.06862	2.3
111.04469	1.5
111.08101	4.2
115.03957	1.2
117.07069	1.8
119.04918	1.4
119.08572	5.5
121.06535	2.5
121.10156	11.1
123.08105	4.6
123.11710	10.1
125.06020	1.5
125.09655	1.2
125.13299	1.3
127.03922	14.6
127.07504	1.4
129.01781	1.4
131.08575	4.4
133.10123	8.2
135.08061	4.4
135.11694	2.1
137.09628	1.8
139.07588	1.5
139.11201	2.7
145.04993	3.9
145.10072	1.4
145.12312	1.2
147.02905	1.0
147.04451	5.3
147.08072	1.3
147.11684	3.0
149.09627	7.3
149.13293	6.3
151.07561	1.3
151.11227	5.0
153.09114	6.9
159.02902	2.4
163.11211	1.2
163.14870	1.4
167.10689	7.6
167.14348	4.0
171.10188	1.6
173.13274	5.7
187.11044	1.0
191.10649	2.1
191.14320	21.6
198.81461	1.1
203.05290	3.0
209.15372	17.3
210.15707	1.0
213.04129	1.0
227.16463	4.4
231.05017	3.9
277.17786	2.3
279.19333	2.5
327.64136	1.0
371.16891	1.5
413.17657	1.4
457.17081	4.8
457.24118	86.1
458.24344	6.2
470.52545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41008	0.4
51.02379	0.5
53.03950	3.2
55.01875	2.8
55.05509	3.7
57.03427	1.7
57.07068	2.4
59.04993	0.9
61.02915	1.5
65.03930	1.2
67.05496	3.7
68.99785	1.5
69.03431	7.7
69.07066	4.5
70.06587	1.6
70.65837	1.0
71.04993	2.1
73.02909	1.6
79.05492	24.3
80.05827	0.8
81.02972	0.8
81.03421	9.0
81.07058	63.1
82.07386	1.3
82.37151	0.4
82.60708	0.4
83.04987	3.5
83.08617	4.2
85.02905	13.7
85.06549	0.8
86.09708	2.2
87.00833	5.4
91.05473	3.7
93.07041	11.1
95.04973	6.9
95.08602	5.4
97.02892	6.4
97.06538	4.0
97.10155	0.6
98.23283	0.4
99.04458	3.2
99.08078	0.6
100.11280	2.6
101.11592	1.3
103.03961	0.9
103.97150	0.4
105.01858	3.2
105.07027	4.9
107.04948	0.6
107.08597	9.2
109.02885	7.5
109.06519	100.0
109.10150	4.7
110.06833	2.4
111.04458	1.0
111.08083	3.9
115.03915	1.0
115.05466	0.4
117.01862	0.6
117.07043	1.3
119.08569	4.5
121.06514	1.8
121.10143	5.9
123.08067	2.4
123.11703	4.7
124.49854	0.5
125.06019	0.6
125.09650	0.8
125.13254	0.6
127.03918	12.0
129.01877	1.1
129.07066	0.5
131.08574	3.8
132.75482	0.5
133.06575	0.5
133.10124	9.6
133.11052	0.8
135.08044	6.8
135.11710	1.1
137.09641	1.2
139.07568	1.1
139.11223	1.6
143.08559	0.7
145.04987	2.6
145.06427	0.5
145.10106	2.1
147.02870	0.6
147.08096	1.2
147.11667	2.3
148.45023	0.5
149.05956	0.6
149.09622	1.3
149.13246	6.4
151.07590	0.6
151.11238	1.9
153.09116	6.4
158.10904	1.1
159.02870	2.6
159.11690	0.4
163.07539	1.0
163.11246	0.6
163.14851	1.7
165.09163	1.4
167.14302	3.5
173.13255	7.0
174.13701	0.6
175.14912	0.4
189.03947	0.5
189.12846	0.7
191.14311	19.9
192.14742	1.2
193.15785	0.4
201.12361	0.5
203.05234	0.9
209.15355	10.3
209.17188	0.6
213.03960	1.0
220.60265	0.4
231.04984	2.2
233.15363	0.6
275.16547	0.6
371.20874	0.4
382.88220	0.5
439.20084	0.7
439.34500	0.6
456.35468	1.8
457.24313	15.2
457.35797	2.2
457.81641	0.5
458.24716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
53.54242	1.0
55.01867	2.7
55.05514	4.7
57.03442	3.3
57.07078	3.1
59.05003	12.1
60.05326	1.9
61.02933	2.8
65.03957	1.2
65.44321	1.0
67.05522	6.3
69.03434	100.0
69.07068	7.9
70.03785	1.2
70.06595	2.2
71.04992	4.1
73.02936	3.2
79.05493	6.6
81.03422	8.3
81.07063	11.2
83.04982	5.0
83.08635	2.7
85.02908	17.0
85.06557	2.8
85.42500	1.2
87.00821	9.9
91.05481	8.4
93.07051	10.0
95.04984	3.3
95.08612	13.7
96.08972	1.3
97.02911	9.2
97.06532	5.7
98.22611	1.8
99.04467	3.0
103.05496	1.5
105.01873	7.2
105.07050	12.2
107.08606	20.1
109.02902	4.9
109.06517	6.0
109.10159	7.5
111.08108	3.6
113.03957	1.1
115.11194	2.4
116.11542	1.2
117.07016	1.7
119.08591	10.3
121.06527	5.0
121.10139	23.0
122.10527	1.2
123.08087	4.1
123.11717	20.0
125.09641	1.6
127.03913	11.1
127.11177	1.4
129.07008	3.2
131.08559	9.3
133.10133	9.0
135.08054	11.0
135.11696	14.9
137.09659	2.1
143.08546	4.4
145.04958	3.9
145.10110	8.9
147.11700	6.9
149.09618	4.2
149.13274	5.1
151.11218	1.3
158.10936	3.9
159.02917	3.2
159.11719	4.1
161.09610	1.7
161.13246	1.9
163.11177	3.7
163.14827	10.4
165.09160	4.6
165.12794	1.8
167.61322	1.2
171.11772	2.1
173.09610	2.1
173.13283	27.3
174.13625	1.1
175.11295	1.5
175.14948	3.0
187.14745	2.2
191.14328	62.9
191.16257	3.7
192.14743	2.6
192.16820	1.8
203.14310	1.8
209.15379	32.7
210.15695	1.3
234.93332	1.1
251.12880	1.2
369.80228	1.2
409.30750	1.3
413.21307	2.2
457.19815	5.3
457.31995	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62762	1.4
53.03941	8.3
55.01870	5.6
55.05513	12.1
56.55378	1.1
57.03421	6.0
57.07064	2.7
59.05004	1.9
61.02925	6.7
65.03927	2.2
67.05513	5.7
68.99791	5.1
69.03429	34.5
69.07065	8.6
70.06586	2.4
70.65878	2.2
71.01339	1.7
71.04990	7.1
72.08156	1.7
73.02908	8.4
79.05495	29.1
81.03418	32.2
81.07055	64.1
82.07413	1.8
83.04976	10.1
83.08623	8.0
85.02907	50.7
85.06525	5.6
86.03221	1.7
86.09676	1.5
87.00363	1.4
87.00835	12.8
87.04446	1.5
91.05473	6.9
92.69935	1.1
93.07047	11.7
95.04967	7.3
95.08607	9.0
97.02888	20.3
97.06522	6.1
97.10180	3.2
99.04460	12.7
105.01855	5.0
105.07036	8.0
107.08595	20.0
109.02882	27.3
109.06517	100.0
109.10150	9.8
110.06859	2.1
111.04435	1.5
111.08073	4.2
113.05984	2.0
115.03925	4.9
117.07040	2.1
119.04913	1.6
119.08558	6.5
121.06490	3.6
121.10138	21.3
123.04444	1.2
123.08046	4.9
123.11732	7.2
125.05976	2.1
125.09615	3.5
127.03916	62.9
127.07567	3.6
129.01836	3.9
131.08612	3.5
133.04926	5.8
133.06586	1.4
133.10126	9.0
135.08002	9.0
135.11687	3.8
137.05943	2.2
137.09634	2.3
139.03891	1.8
139.11172	4.6
145.04968	12.9
145.06055	1.6
145.10129	3.5
147.02840	1.7
147.08051	3.5
147.11688	2.7
149.05945	1.6
149.09602	1.7
149.13264	9.3
151.07532	1.6
151.11125	3.0
153.09108	5.2
157.09985	1.4
158.10872	1.4
159.02928	3.5
159.11560	1.3
161.13286	1.2
163.06006	3.4
163.11224	1.8
163.14801	8.9
165.09120	2.1
167.14290	6.5
169.04951	2.0
171.10263	1.5
171.11734	1.4
173.13251	9.1
181.12279	2.0
187.05975	5.9
189.03946	2.3
191.14311	28.5
198.06456	1.4
209.15387	21.6
210.15665	1.3
213.03891	5.9
231.04970	6.3
243.08749	2.5
291.07153	2.0
335.18716	1.2
348.18085	1.2
359.13525	2.2
395.38809	1.3
414.10486	1.4
421.18472	3.2
439.10074	3.6
439.19431	4.6
457.20959	6.9
478.09549	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01877	2.1
55.05511	2.0
57.03430	1.1
57.07072	1.1
58.59441	0.4
59.04997	0.7
61.02914	1.1
67.05507	3.2
68.99793	0.7
69.03082	0.8
69.03432	11.8
69.07067	1.9
70.06603	0.8
70.10595	0.5
71.04980	1.4
73.02915	1.8
78.77248	0.5
79.05474	2.1
81.03419	12.8
81.07066	5.1
83.04987	2.8
83.08618	0.7
85.02904	15.4
86.09687	1.2
87.00830	7.6
87.62338	0.4
91.05461	2.4
93.07042	3.2
95.04950	2.4
95.08605	4.7
97.02892	5.7
97.06532	0.6
97.84811	0.5
99.04466	2.9
99.08086	1.1
105.01859	3.5
105.07037	4.2
107.04939	0.8
107.08604	7.5
109.02879	6.1
109.06528	7.3
109.10159	4.2
110.40367	0.4
115.03909	0.6
117.01817	1.0
117.07059	0.8
118.48811	0.4
119.08594	3.1
121.06512	1.2
121.10146	11.5
122.07274	0.9
122.10493	0.5
123.08083	5.0
123.11717	3.0
127.03916	9.5
127.05698	0.4
129.01825	1.2
131.08542	1.3
133.10143	3.4
135.08069	1.5
135.11728	1.2
137.09619	11.4
137.13264	0.6
143.08604	0.6
145.04985	4.1
145.10162	1.1
147.02901	0.7
147.11707	2.1
149.09607	7.1
149.13257	4.8
151.11183	39.3
152.11519	1.6
158.10860	0.5
159.02890	3.5
165.12759	39.0
166.13158	1.2
173.13293	1.1
187.14806	0.7
191.14316	4.4
192.14738	0.6
193.15932	5.5
194.49710	0.5
209.15372	100.0
210.15712	4.2
217.15746	0.5
231.05005	1.3
308.10516	0.5
439.32318	0.6
457.14465	0.8
457.23914	4.2
457.32269	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.9
65.14090	2.1
67.05499	6.8
69.03427	7.0
69.07088	4.8
70.66519	4.9
73.02860	2.2
79.05488	7.9
81.03408	3.9
81.07044	10.3
83.04958	2.5
83.08618	2.1
85.02910	5.4
91.05468	6.6
93.07050	9.7
94.26762	2.4
95.04968	3.1
95.08610	6.7
105.07052	12.4
107.08597	20.6
109.02801	3.0
109.06487	4.4
109.10152	10.4
116.06182	1.9
119.08604	10.3
121.06521	3.9
121.10150	17.4
122.07305	3.9
127.03925	5.2
131.08556	6.2
131.78531	2.0
133.10132	100.0
134.10472	5.3
134.83029	2.1
135.08057	7.5
135.11685	3.1
137.09618	64.6
143.08592	3.4
145.10132	7.3
147.11713	4.8
147.30205	2.1
149.13271	9.4
161.13295	3.1
163.14832	2.9
173.13220	5.2
187.14867	2.7
188.15173	2.7
191.14302	44.7
192.14691	2.8
201.16354	2.3
203.14165	3.2
232.07054	6.9
403.29895	3.1
409.30899	3.7
456.31836	3.4
457.24789	4.3
457.32285	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01869	3.2
55.05515	5.9
57.03424	2.6
57.07071	4.4
61.02928	1.3
61.67573	1.1
67.05495	8.1
69.03432	60.6
69.07074	8.6
70.51260	2.2
70.78641	1.1
71.04993	3.1
73.02921	2.5
79.05500	5.6
81.03421	8.7
81.07050	11.5
83.04967	6.5
83.08621	2.0
85.02431	1.5
85.02908	22.3
85.06528	2.7
87.00839	11.8
91.05467	7.9
93.07043	8.7
95.04984	2.0
95.08611	21.1
96.08940	2.4
97.02901	10.3
97.06538	5.9
99.04446	4.2
105.01868	7.1
105.07036	11.1
106.07367	2.1
107.04958	1.6
107.08596	24.0
108.08924	2.3
109.02879	7.9
109.06524	7.7
109.10155	9.0
110.10471	1.9
111.08074	4.7
117.01846	1.9
117.06995	2.4
119.08572	12.2
120.08901	3.4
121.06486	4.0
121.09280	2.2
121.10133	17.6
123.08075	4.4
123.11696	7.4
125.09643	23.9
127.03919	13.2
129.06984	2.0
131.08574	10.3
132.08896	1.5
133.10138	10.7
134.10454	2.6
135.08055	19.4
135.11700	7.7
137.09601	3.6
143.08542	4.2
145.04982	4.9
145.10123	8.4
147.11667	6.6
149.09624	12.3
149.13245	5.5
150.10428	2.6
151.11143	1.3
153.09102	8.0
157.10065	2.2
158.10948	6.3
159.02866	4.5
159.11642	3.1
161.09552	2.7
163.11227	4.7
163.14824	8.6
165.09135	2.4
165.12770	4.9
171.11726	1.5
173.13277	28.8
174.13541	3.4
175.14784	2.1
176.11981	3.2
183.11714	1.3
185.13234	2.1
187.14828	3.8
188.15128	1.9
189.12881	1.4
191.14316	100.0
192.14697	6.4
199.14828	1.7
201.16371	2.2
203.14456	2.9
204.14543	1.2
209.15367	98.8
210.15732	4.9
212.81166	1.1
213.16620	1.4
214.23734	1.2
217.15781	1.3
231.05080	1.7
243.85938	1.2
409.30698	3.6
439.31906	1.6
456.31631	5.6
457.14883	1.7
457.24106	4.3
457.32294	39.0
458.32596	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01871	6.3
55.05511	7.6
57.03425	5.2
67.05508	19.7
67.18659	4.3
69.03432	19.3
69.07079	17.5
69.12283	31.7
70.06602	4.8
71.04995	10.3
73.02921	4.7
77.67837	3.5
79.05489	16.2
81.03430	7.6
81.07059	31.9
83.04982	12.7
83.08637	5.2
85.02922	13.1
87.00845	7.5
91.05492	15.7
93.07063	25.9
95.04958	17.8
95.08604	32.8
97.02914	8.2
97.06549	11.9
98.22577	4.8
99.08090	5.2
105.07024	24.8
107.08597	45.2
109.02964	5.1
109.06527	21.5
109.10165	24.2
111.08092	3.7
119.08585	11.5
121.06477	8.5
121.10159	54.3
123.08061	6.9
123.11768	5.9
125.09662	13.5
131.08575	8.3
133.10123	29.5
135.08070	18.7
135.11720	7.5
137.05986	4.8
137.09648	18.8
139.11159	9.0
145.10149	17.8
147.11671	12.4
149.09619	20.3
149.13269	25.0
150.31995	3.8
151.07486	7.2
151.11180	96.8
159.02834	4.3
163.11185	6.4
163.14871	15.5
165.12724	9.5
173.13219	21.5
191.10701	16.0
191.14316	100.0
192.14688	8.0
209.11734	5.0
209.15382	85.0
209.17300	7.0
210.15704	6.3
215.10561	3.9
233.11742	4.2
375.85632	3.9
385.86960	4.7
403.94025	3.8
457.14777	10.8
457.22858	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	457.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94291	1.3
55.05509	1.9
55.69903	1.4
56.96570	3.3
67.05500	3.9
69.03432	5.5
69.07071	1.9
69.47039	7.3
70.06583	2.3
70.18107	1.5
71.04979	1.9
72.08132	1.4
79.05463	3.3
81.03415	1.7
81.07059	5.6
85.02906	4.8
85.06496	1.4
91.05486	3.1
93.07065	5.3
95.04933	2.1
95.08624	7.4
97.02933	2.7
98.97593	1.9
105.07040	5.3
107.08606	5.7
109.06533	4.5
109.10143	3.9
111.08101	1.4
119.08582	5.4
121.10162	5.0
123.08080	2.0
123.11781	2.4
125.09683	2.1
127.03915	3.1
131.08597	4.7
133.10124	6.5
135.08086	3.9
137.09642	1.7
145.10133	3.7
147.11726	2.4
149.09633	3.0
149.13240	2.1
157.10159	1.5
158.10931	1.5
159.11716	2.5
163.11162	1.9
165.09132	2.4
173.13303	6.4
175.11176	1.6
187.14827	2.1
191.14294	12.4
199.14940	1.4
205.62561	1.5
209.15381	5.8
227.09599	1.9
264.60669	1.4
271.09351	1.5
285.39374	1.4
295.15982	3.5
337.16858	5.1
457.21979	100.0
458.22382	7.7
472.48392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47405	0.4
53.03938	1.8
55.01862	1.4
55.05503	1.5
57.03440	0.9
57.07070	0.6
57.87349	0.4
61.02939	0.5
67.05499	1.4
68.99779	0.7
69.03434	3.5
69.07053	1.5
71.04998	0.8
71.34652	0.6
73.02918	0.6
75.76949	0.4
77.20792	0.4
77.80269	0.4
79.05064	0.8
79.05495	11.9
81.03419	3.4
81.07058	28.4
82.07395	0.7
83.04980	1.7
83.08603	1.3
85.02904	5.4
85.06541	0.6
87.00810	2.3
88.08311	0.4
91.05467	1.2
93.07058	5.2
95.04966	2.4
95.08611	2.3
95.10220	0.4
97.00513	0.4
97.02886	2.3
97.06532	1.8
99.04468	0.9
105.01849	1.1
105.07044	2.4
107.08610	2.7
109.02866	2.4
109.06519	44.4
109.10143	2.0
110.06834	0.9
111.08075	1.7
113.02100	0.7
117.06960	0.6
119.08587	1.7
121.06503	0.5
121.10143	2.8
123.08095	1.4
123.11729	1.7
127.03920	4.1
131.08571	0.9
133.10143	2.5
135.08076	1.4
135.11708	0.5
139.11191	0.9
143.08524	0.4
145.04971	1.4
145.10159	0.9
147.08098	0.8
147.11668	0.8
149.09631	1.9
149.13277	2.8
151.07547	0.9
153.09122	3.4
157.10089	0.6
159.02939	0.9
163.11115	0.5
163.14822	0.6
165.09113	0.7
167.14297	1.2
173.13280	2.1
189.04100	0.6
189.12723	0.5
191.10577	0.8
191.14301	8.0
203.05264	3.1
207.13664	0.6
209.15393	4.0
210.15779	0.6
231.05019	1.0
277.17715	4.2
294.05814	0.4
295.18854	1.1
369.18762	0.6
387.19852	1.8
413.17847	0.7
416.69128	0.6
439.23154	1.2
457.24081	100.0
458.24466	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
58.17057	0.3
61.38162	0.3
64.70251	0.3
70.06593	1.1
71.04984	0.3
72.08133	0.4
85.02907	0.4
86.09713	0.6
98.23508	0.3
104.14973	0.3
113.02140	0.3
149.09685	0.8
178.36226	0.3
191.23807	0.3
201.03735	1.5
203.05261	3.7
277.17737	5.0
279.19315	5.9
295.18835	1.1
369.18948	0.4
371.16724	0.7
387.20074	0.9
439.23157	1.1
457.24100	100.0
458.24472	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03949	0.4
55.01870	1.3
55.05515	0.9
57.03441	0.8
60.13223	0.3
66.27029	0.3
67.05494	1.1
69.03432	1.9
69.07068	2.0
69.28471	2.1
70.06603	0.9
71.05000	0.7
72.08153	0.4
73.02929	0.5
79.05500	2.0
81.03424	1.0
81.07059	3.9
83.01322	0.3
83.04991	0.4
83.08624	0.5
85.02917	2.4
85.06534	1.3
86.09722	0.7
87.00822	0.6
91.05471	1.4
93.07052	3.2
95.04971	2.9
95.08614	1.4
97.02900	1.0
97.06535	1.2
98.23309	0.6
99.04448	0.5
105.07014	2.9
107.08610	2.0
109.02849	0.7
109.06519	2.9
109.10152	0.7
111.00843	0.6
111.08074	0.9
115.03899	0.4
119.08606	1.2
121.06507	0.7
121.10157	1.6
123.08080	0.5
123.11735	0.6
127.03938	1.2
127.07568	0.8
131.08566	1.2
133.04982	0.4
133.10162	1.2
135.08015	0.4
135.11682	0.5
137.05963	0.9
139.07480	0.4
139.11183	1.0
143.03352	0.4
145.04915	0.5
145.10132	2.0
147.08084	0.3
147.11705	0.5
149.09666	2.0
149.13254	0.4
151.07562	2.0
153.09093	0.3
157.10123	0.4
159.11673	0.5
163.11226	1.2
171.02907	0.5
173.09659	0.5
173.13292	0.9
187.11226	0.6
189.12732	0.3
191.10701	2.3
191.14334	2.1
201.03780	1.5
203.05257	3.0
205.12296	0.7
209.11783	1.4
209.15352	1.6
215.10612	0.7
231.05038	1.4
233.11839	1.2
245.70454	0.3
251.12793	0.7
253.15996	0.3
259.16467	0.3
277.17737	4.4
279.19308	7.8
279.22165	0.5
280.19604	0.4
295.18866	1.3
337.44418	0.3
397.15009	0.4
413.17899	0.6
457.24103	100.0
458.24466	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	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03946	0.4
55.05505	0.4
67.05495	0.7
69.03424	1.0
69.07070	0.9
69.38588	0.5
69.38998	1.2
70.06559	0.5
71.05009	0.5
72.08144	0.3
79.05488	0.7
80.65676	0.3
81.03419	0.7
81.07066	0.9
83.04979	0.4
85.02907	0.6
86.09712	1.0
91.05496	0.8
93.07050	1.0
95.08609	1.3
97.02885	0.6
97.06518	0.6
98.11900	0.3
105.07058	1.2
106.07403	0.4
107.08603	1.4
109.06540	0.4
109.10165	0.9
112.33394	0.3
117.07068	0.4
119.08605	1.4
121.06488	0.5
121.10153	1.1
124.98362	0.3
131.08531	0.8
133.10127	1.9
135.08124	0.6
135.11635	0.5
145.10103	1.0
147.11710	1.0
151.11238	0.5
157.10136	0.7
159.11731	0.4
161.13367	0.6
165.12794	0.5
171.11786	0.4
173.13280	0.9
177.09338	0.3
187.14880	0.6
189.12669	0.5
191.14346	0.6
203.05287	1.2
203.14305	0.5
209.15332	1.8
213.16080	0.5
277.17743	1.0
295.18787	2.0
368.18793	0.4
421.30960	0.3
457.24078	100.0
458.24493	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	457.2407
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
56.06895	0.3
57.41159	0.3
65.19495	0.3
67.05504	0.6
69.03430	0.9
69.07084	0.4
70.06598	0.8
79.05476	0.6
81.07057	1.0
83.04981	0.3
85.02919	0.6
86.09721	0.4
89.26688	0.3
91.05502	0.9
93.07055	1.1
95.08569	0.5
98.87202	0.3
98.97565	0.5
99.04456	0.4
102.16052	0.3
105.07047	0.7
107.08574	0.6
109.02905	0.4
109.06506	0.7
109.10172	0.4
119.08600	0.6
121.06539	0.5
121.10144	1.1
121.86214	0.3
123.11739	0.5
127.03939	0.4
127.10589	0.3
133.10136	0.7
135.07947	0.3
147.04385	1.4
149.09607	3.4
151.11220	0.6
161.64162	0.3
191.14323	1.1
203.05315	2.1
209.15346	0.7
229.19730	0.3
277.17743	6.7
278.18085	0.6
279.19302	3.5
283.10928	0.3
288.82535	0.3
295.18719	2.3
295.26178	0.3
308.38974	0.3
385.18198	0.7
407.38617	0.3
413.17685	0.5
420.25827	0.4
444.70233	0.3
457.24054	100.0
458.17517	0.3
458.24335	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	457.2411
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
63.98322	0.3
64.35597	0.3
69.01792	1.9
69.02197	0.8
70.06593	0.5
75.35305	0.3
89.41019	0.3
94.40253	0.3
110.31357	0.3
149.07635	0.3
203.05319	1.7
277.17743	2.2
295.18781	1.1
394.92685	0.3
427.23068	1.9
435.92877	0.4
457.24091	100.0
458.24414	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	457.3314
Annotation	Anthosterone B
Peak:m/z	Relative Intensity
51.02351	0.4
55.05518	1.6
57.07081	0.8
65.03955	0.5
67.05513	2.6
69.07074	3.4
70.57420	1.2
79.05495	3.5
81.07063	7.9
83.05009	0.4
83.08622	1.5
91.05480	4.0
93.07050	9.6
95.05000	0.5
95.08615	9.5
97.06546	1.0
97.10189	0.7
105.07040	9.7
107.08601	12.3
108.08920	0.6
109.10165	7.0
111.08105	0.6
116.80508	0.5
117.07051	1.2
119.08591	13.2
121.10150	9.0
123.08086	0.7
123.11734	3.1
129.07054	0.6
131.08568	3.9
133.10141	12.6
134.10379	0.4
135.08070	0.8
135.11711	9.0
137.09622	1.0
137.13255	1.0
139.11182	0.6
142.07794	0.5
143.08563	1.8
145.10132	7.6
147.08049	0.6
147.11691	11.8
148.11975	0.8
149.13264	3.2
151.11192	0.7
155.08502	0.9
157.10110	2.5
159.11711	8.2
161.09692	0.7
161.13280	5.0
163.11266	2.0
163.14873	2.0
165.12776	1.1
169.10170	1.5
171.11700	2.7
173.13254	5.5
175.11229	2.9
175.14809	3.1
177.12755	3.3
177.16423	2.9
183.11749	1.5
185.13272	1.9
187.11197	1.2
187.14848	3.0
189.12782	4.2
189.16389	10.3
190.16739	0.5
191.14369	3.9
191.17964	1.5
193.12291	1.6
195.11696	0.6
197.13332	1.4
199.14864	2.7
201.12859	0.6
201.16399	10.0
203.14377	2.6
203.17970	3.5
207.17378	0.5
211.14813	0.8
213.16370	0.8
214.86917	0.5
215.14313	1.1
215.17976	2.5
217.15965	1.2
217.19577	0.7
223.14853	0.6
225.16441	1.9
227.14417	0.5
229.15842	0.6
233.19002	0.6
243.17426	2.4
265.19351	0.7
278.83356	0.4
283.20670	0.4
295.24008	0.5
334.29214	0.4
344.56784	0.4
352.13809	0.4
361.28876	1.3
379.29965	3.3
380.30817	0.5
439.31818	1.0
457.33093	100.0
458.33432	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	457.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
54.42073	3.3
55.05512	21.1
57.03435	6.1
57.07067	9.5
59.04995	4.3
65.03951	2.7
67.05511	32.5
69.07069	32.2
69.11823	16.4
69.12250	9.4
70.30106	3.2
71.05000	3.5
74.95836	3.1
79.05492	23.4
81.06585	4.7
81.07056	67.6
83.04961	6.5
83.08609	16.4
85.06548	13.9
91.05479	30.7
93.07042	57.8
95.04982	7.1
95.08609	100.0
95.80867	3.1
96.08935	5.1
97.06500	6.3
97.10169	11.8
98.22540	5.1
101.06024	5.5
103.05442	3.9
105.07032	70.5
107.08591	81.2
109.06526	11.5
109.10144	48.5
111.08089	5.2
117.07027	7.5
119.08582	85.6
120.96635	14.5
121.06482	11.4
121.10146	70.7
123.08082	10.4
123.11691	34.4
129.06984	9.1
131.08575	20.9
133.10124	65.1
135.08043	15.0
135.11690	47.4
136.12016	3.5
137.09616	5.5
137.13257	10.0
139.11188	7.2
141.07011	3.4
142.07822	5.7
143.08560	17.7
145.10095	41.9
147.08086	6.1
147.11702	46.9
149.09607	9.9
149.13272	21.6
151.11169	4.7
151.14783	4.7
155.08574	3.5
156.09322	6.8
157.10133	23.5
158.10788	3.8
159.08031	4.6
159.11699	38.1
161.09645	10.8
161.13268	30.8
163.11194	9.6
163.14853	13.2
169.10164	3.9
171.11729	21.7
173.09579	4.6
173.13231	18.3
175.11192	18.4
175.14807	35.3
177.12743	10.5
177.16383	29.3
183.11713	5.9
185.13266	10.5
187.11209	5.2
187.14819	17.8
189.12752	41.9
189.16368	31.5
191.17953	31.8
193.15881	16.9
195.00281	4.8
195.11755	4.1
197.13268	5.9
199.14787	10.1
201.12840	5.5
201.16368	26.3
203.14403	4.0
203.17937	19.8
205.15924	4.5
206.05792	3.6
207.13699	3.9
211.14853	8.0
213.16367	7.4
215.17989	11.0
217.15909	10.3
217.19580	4.0
219.17438	76.7
220.17787	3.7
222.82185	3.3
223.07193	3.1
225.16418	5.8
227.18008	5.4
228.56688	3.5
229.19496	5.2
231.17458	5.5
231.21129	3.9
233.19022	11.3
235.17043	10.0
241.40559	3.9
243.17413	5.5
251.18050	3.5
253.19458	4.2
255.21080	6.0
257.19174	4.5
257.22739	6.3
261.18582	8.8
285.22110	4.4
303.23199	6.0
319.23642	3.4
335.27368	3.9
337.27365	16.9
351.30655	4.1
359.25665	4.2
361.28961	10.0
379.29901	40.2
397.30835	18.8
399.91495	3.5
421.30304	5.9
421.35239	5.3
439.21851	6.3
439.31418	11.6
439.35788	22.3
457.23346	29.2
457.32666	38.9
457.37070	38.9
458.37393	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	457.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01875	0.5
55.05511	3.4
57.07067	0.6
59.18155	0.4
64.18098	0.5
65.03944	0.7
67.05177	0.7
67.05510	7.9
69.03423	1.0
69.07075	4.3
69.24686	3.4
71.04970	0.8
79.05488	4.4
81.03398	0.5
81.07062	11.4
83.04969	1.6
83.08617	1.8
85.02888	0.5
85.06551	0.5
87.07065	0.4
91.05480	5.8
93.07052	11.0
95.04964	2.0
95.08611	17.0
97.06529	2.1
97.10171	1.2
98.70877	0.5
105.07037	13.3
107.08598	16.1
109.06535	1.7
109.09444	0.9
109.10160	15.5
110.10488	0.5
111.08067	2.5
117.07014	2.9
118.02859	0.5
119.08585	14.9
120.08920	0.6
121.06535	2.0
121.10148	10.2
123.08070	4.1
123.11712	3.1
125.09610	0.8
128.06281	0.5
129.07007	0.8
131.08574	6.1
133.10143	9.2
135.08066	3.6
135.11699	5.1
137.09628	5.0
137.13243	2.1
141.06952	0.5
142.07748	1.1
143.08580	4.2
144.09352	0.6
145.10132	9.9
147.08064	2.7
147.11699	6.6
149.02362	0.6
149.09653	2.3
149.13277	2.4
151.11169	1.7
153.09123	0.6
155.08572	1.5
156.09343	0.7
157.10124	5.6
159.11731	6.5
159.99228	0.5
161.09593	2.4
161.13271	5.4
163.11200	1.1
163.14836	3.0
165.09103	1.0
165.12685	0.7
169.10104	1.3
170.10881	0.9
171.11729	2.6
173.09746	0.9
173.13274	4.5
175.11201	1.3
175.14821	3.6
177.12770	1.7
177.16463	1.5
179.14302	1.7
181.10158	0.6
183.11705	1.7
184.12502	0.7
185.13235	3.2
187.11250	0.8
187.14832	5.7
189.12706	2.2
189.16341	2.6
191.14313	1.9
195.11736	0.8
197.13255	1.7
199.14825	2.8
201.12798	0.7
201.16420	2.9
203.14322	16.9
203.17957	1.0
204.14624	0.7
205.15909	9.5
206.16202	0.6
209.13301	0.9
211.14864	1.4
213.12640	0.5
213.16425	1.8
215.14331	1.4
215.17810	1.0
217.15836	2.8
217.19432	0.6
219.17528	0.6
225.16420	1.4
227.18060	1.3
229.15898	1.8
231.17360	2.2
239.18016	1.1
243.17400	2.3
245.19035	1.2
251.17929	0.7
253.19611	1.4
255.17334	0.4
255.21193	0.5
257.19116	1.3
269.19061	0.6
271.20596	0.8
283.20660	0.8
297.22134	0.6
325.25427	0.5
391.30273	1.0
403.29990	1.5
409.31009	100.0
410.31381	10.9
421.31134	5.3
422.31396	0.9
439.32367	4.4
450.33789	3.5
457.33636	7.8
458.33319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	1.1
55.05500	5.4
57.07076	2.2
67.05514	9.9
67.11018	1.0
69.03421	1.7
69.07071	7.4
69.24062	0.8
69.24335	8.1
70.06565	1.0
70.13482	1.0
71.04996	1.8
79.05502	7.1
81.07054	15.8
83.04985	1.4
83.08601	3.1
85.06525	2.0
91.05481	9.6
93.07043	18.3
95.04955	2.9
95.08611	21.1
97.06514	2.6
97.10139	1.0
105.07038	18.4
106.07397	1.3
107.08601	23.0
109.06516	3.5
109.10148	17.2
111.08075	3.9
117.07005	3.9
119.08585	22.1
121.06500	3.3
121.10142	17.5
123.08080	6.8
123.11705	7.9
125.09640	2.6
129.06992	1.4
131.08603	7.0
133.06476	2.0
133.10132	12.0
135.08051	4.5
135.11707	6.6
136.47766	0.9
137.09610	5.4
137.13239	2.9
139.11180	1.2
142.07744	1.6
143.08551	6.0
145.10132	12.4
147.08035	3.1
147.11662	10.1
149.09581	4.0
149.13205	7.4
151.11166	2.9
155.08519	2.2
156.09450	1.0
157.10144	6.6
159.11726	10.5
161.09622	4.0
161.13240	6.0
163.11183	2.6
163.14781	1.6
165.12755	1.7
167.14319	3.1
171.08060	1.0
171.11678	3.7
173.09639	1.8
173.13271	6.8
175.11148	1.5
175.14865	3.8
177.12759	2.5
177.16370	1.7
179.14262	1.7
181.10074	1.4
183.11659	2.1
185.13234	3.3
187.11195	2.1
187.14839	6.5
189.12730	3.0
189.16373	3.7
191.14401	2.7
195.11716	1.8
197.13312	2.4
199.14804	3.6
201.12827	1.1
201.16350	3.0
203.14313	15.9
203.17915	2.1
205.15880	7.4
209.13197	2.3
213.16420	3.3
215.14278	1.5
215.17876	1.2
217.15842	4.1
223.14752	2.0
227.17792	1.3
229.15919	3.4
231.13916	1.2
231.17410	2.9
237.16415	1.3
243.17348	1.3
257.19077	2.5
269.19064	1.6
271.20551	1.3
293.22604	1.1
355.43637	1.1
391.29974	2.3
403.29883	3.0
409.31009	100.0
410.31406	7.2
421.31177	6.8
439.32388	5.4
450.33524	3.6
456.06802	1.2
457.33432	11.4
458.33496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01873	1.5
55.05514	9.9
56.34827	1.1
57.07074	8.3
59.04995	2.0
65.03974	1.5
67.05508	13.1
69.03442	1.5
69.07068	18.7
69.26067	5.1
69.26472	1.9
70.06584	3.5
71.05009	2.4
71.08636	3.6
72.65463	1.0
79.05497	5.9
81.07059	25.8
82.07397	1.7
83.04981	2.1
83.08634	8.9
85.06541	2.8
88.07649	4.5
91.05483	8.7
93.07049	18.8
93.18042	1.0
95.04939	2.1
95.08607	43.4
96.08936	2.2
97.06541	2.8
97.10172	3.2
99.04440	2.0
99.08130	1.4
102.09203	2.2
103.09489	1.4
105.07028	20.9
107.08597	40.6
109.06531	4.8
109.10154	27.5
111.08121	2.6
111.11734	2.7
117.07038	2.1
119.08580	32.3
120.08881	1.8
121.10149	35.1
122.10532	2.3
123.08091	6.1
123.11710	21.0
125.09658	2.5
131.08582	6.3
133.10135	26.0
135.08076	4.1
135.11691	18.6
137.09631	3.5
137.13269	4.9
143.08583	1.8
143.54893	1.2
145.10136	13.8
147.11707	16.8
149.09659	7.3
149.13254	10.6
151.11171	4.4
153.12677	1.2
157.10146	6.4
159.11694	17.1
160.12094	1.7
161.09692	1.3
161.13269	15.2
163.11218	4.6
163.14848	6.0
165.12773	3.9
167.14337	1.3
169.10170	1.2
171.10345	1.2
171.11673	6.0
173.09586	1.6
173.13280	9.6
175.11264	5.6
175.14839	15.2
177.12831	4.5
177.16385	33.1
178.16728	1.4
179.14294	1.3
181.12207	1.1
183.11668	2.2
185.13281	3.7
187.11099	1.1
187.14781	7.4
189.12761	3.2
189.16403	13.6
191.14345	4.1
191.17952	7.5
193.12254	1.2
193.15860	2.5
195.13757	1.9
199.14824	3.0
200.20097	7.9
201.12708	1.8
201.16389	12.6
201.20401	6.5
203.14307	3.0
203.17984	3.8
205.12456	1.2
205.15903	5.5
205.19615	1.6
207.17445	2.0
209.15402	1.5
213.16389	1.9
215.17950	5.3
217.15916	3.5
219.17447	100.0
220.17824	4.6
227.18027	1.4
229.16075	1.5
229.19475	5.7
231.17456	2.5
233.15466	1.3
233.18965	7.8
239.17842	1.6
243.17438	1.2
245.18941	1.3
257.22687	1.6
259.20554	1.2
281.22681	1.4
283.26324	4.8
284.26791	8.9
289.21716	1.4
379.29895	4.0
397.31082	2.1
411.32266	1.9
421.34647	3.5
439.36282	13.3
456.43979	1.7
457.32272	41.6
457.37677	5.2
457.44455	23.0
458.33026	5.7
458.44153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.60154	0.7
53.03963	0.8
55.05504	2.1
57.07076	1.1
67.05503	4.3
69.07079	2.8
69.15215	0.7
70.47286	1.9
79.05486	5.2
81.07060	16.3
83.05011	1.1
83.08636	1.4
91.05476	4.2
92.64343	0.7
93.07053	13.1
95.04957	1.4
95.08614	14.8
97.06550	1.3
105.07031	7.9
107.08604	12.3
109.06512	6.9
109.10171	8.3
111.08123	1.3
117.07021	1.3
119.08586	9.0
121.06500	0.9
121.10146	15.6
123.08086	2.6
123.11725	4.1
129.07083	0.7
130.07817	0.8
131.08560	2.9
133.10130	7.2
135.08075	1.4
135.11702	6.6
137.09657	1.2
137.13281	1.2
139.11220	1.2
143.08580	2.0
145.10139	5.8
147.11685	5.5
149.09618	8.7
149.13219	3.5
157.10173	3.1
159.11681	5.4
161.13260	4.1
163.11174	1.9
163.14857	2.4
167.10695	3.2
171.11710	2.6
173.13228	3.5
175.14851	2.2
177.16426	1.2
181.12271	2.8
185.13274	1.6
187.14777	3.3
189.16428	3.9
191.14235	0.9
191.17957	2.6
199.14876	2.0
201.16298	1.1
203.18011	2.9
213.16470	1.0
217.15945	2.3
217.19496	1.9
228.25870	0.7
229.19568	1.1
279.21048	0.7
313.25226	0.7
409.34564	0.9
421.34659	7.0
439.35736	100.0
440.36115	12.6
457.36414	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	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
55.05514	22.2
57.07073	7.6
67.05506	38.3
69.03428	4.3
69.07074	45.6
69.27148	25.9
71.04984	9.6
71.08641	4.1
76.76905	2.7
78.03902	3.1
79.05493	20.1
81.07058	56.1
83.04999	7.6
83.08623	16.4
85.06512	7.3
86.72105	3.0
91.05476	17.4
93.07041	36.2
95.04980	5.5
95.08607	100.0
97.06532	9.6
97.10182	5.6
99.04488	3.4
99.08089	3.2
105.06412	4.6
105.07007	24.8
107.08603	49.7
109.06499	8.5
109.10152	67.2
111.08072	6.9
111.11722	4.2
113.09615	2.9
113.36473	3.1
117.07019	3.3
119.08562	30.2
121.06504	11.4
121.10132	44.6
123.08086	8.2
123.11696	36.6
125.09619	4.9
131.08585	16.2
133.09183	4.7
133.10121	30.7
135.08072	30.6
135.11679	28.0
137.09627	5.8
137.13248	19.7
139.11133	5.8
142.27298	3.3
143.08606	5.0
145.10124	27.9
147.11679	16.8
149.09605	8.5
149.13277	11.1
151.11208	8.9
153.09145	3.9
157.10141	4.1
159.11676	29.0
161.13289	13.4
163.11179	12.4
163.14862	14.7
171.11729	7.8
173.13318	17.3
175.14861	14.1
175.54750	3.6
177.12766	13.2
177.16368	9.9
181.12210	10.6
185.13190	3.0
187.14825	8.6
189.16318	16.7
191.14276	10.3
191.17940	6.0
195.13783	8.4
200.20067	3.0
201.16373	23.8
203.17908	7.8
205.15878	14.5
205.19495	3.4
207.17445	11.0
209.15350	4.8
210.90523	2.9
213.16444	3.7
215.17950	52.2
216.18289	4.1
219.17554	5.6
231.21117	10.4
233.18985	50.6
238.39993	3.7
247.20705	8.9
251.20108	8.4
257.22769	3.7
261.22202	5.2
262.58191	3.4
275.23682	6.1
289.24918	3.3
301.25461	5.5
315.23334	4.0
403.33575	3.7
421.34622	38.7
439.35709	60.9
440.36139	6.8
457.36850	23.7
457.43100	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	457.3675
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05513	10.9
57.07089	2.8
67.05514	10.8
69.07068	22.0
71.05023	2.1
74.54279	1.9
76.13744	1.8
79.05508	5.0
81.07063	24.4
81.07510	1.7
83.08644	7.1
83.30651	1.6
86.96108	1.6
91.05511	4.7
93.06570	2.1
93.07039	11.0
95.08612	31.3
97.06561	2.2
97.10207	6.5
99.04488	3.6
104.82446	1.9
105.07044	11.7
106.62727	1.9
106.64658	1.8
107.08601	26.4
109.06555	7.9
109.10166	26.4
111.08153	3.4
113.09660	2.1
115.07654	2.1
119.08591	20.3
121.10152	26.3
121.10883	2.3
123.08046	4.4
123.11713	14.9
131.08557	2.4
133.10130	15.0
134.02968	2.3
135.08128	4.6
135.11705	9.3
137.09674	1.7
137.13310	3.6
145.10150	9.1
147.11743	5.2
149.09717	4.6
149.13300	5.5
151.11201	9.7
157.10155	2.3
159.11705	12.9
161.13220	9.9
161.88770	2.2
163.11253	3.7
163.14882	4.3
167.10736	2.7
171.11719	2.4
173.13330	7.1
175.14822	15.3
177.12834	3.4
177.16380	35.1
187.14882	4.7
189.12727	1.9
189.16428	7.6
191.17995	5.2
199.15002	2.9
201.16376	19.2
203.18082	4.5
205.16055	2.1
207.17522	4.9
213.16736	2.3
215.18019	7.9
217.15926	14.8
217.19525	2.5
219.17453	100.0
220.17891	4.8
227.18022	2.2
233.19012	18.1
301.25415	2.7
311.23941	1.7
358.83588	1.9
411.36365	2.8
421.34430	8.9
439.35721	38.8
440.36429	3.7
457.36853	43.9
458.37451	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	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03933	0.9
55.05521	7.6
57.07072	3.5
67.05503	7.7
69.07074	18.6
71.08640	0.9
75.26185	0.9
79.05497	3.6
81.07061	24.6
83.08627	6.7
91.05485	4.2
93.07039	8.2
95.04975	1.0
95.08609	43.0
96.08939	1.2
97.10172	3.2
105.07037	7.8
107.08596	17.7
109.06474	0.9
109.10157	17.0
111.11709	1.9
117.07013	1.0
119.08582	13.0
121.10149	14.9
123.08081	1.4
123.11707	11.2
129.07014	1.1
131.08549	3.7
131.90907	0.8
133.06464	1.0
133.10133	14.6
135.08061	1.2
135.11699	7.6
137.13258	20.2
139.07545	2.1
143.08508	1.2
145.10107	6.2
147.08023	1.1
147.11682	7.1
149.09621	1.4
149.13260	4.1
151.07567	1.6
151.14819	3.2
153.09042	1.8
157.10164	2.7
159.11673	6.9
161.09563	1.9
161.13293	4.7
163.14821	2.7
165.09122	5.2
165.16325	0.9
171.11697	2.8
173.13231	5.2
175.11200	1.8
175.14819	13.8
177.09062	1.1
177.16338	3.0
179.10739	2.1
185.13194	2.0
187.14825	3.5
189.12770	1.3
189.16393	3.6
191.10602	1.5
191.17938	3.0
193.12247	2.8
197.13306	1.7
199.14903	2.0
201.16368	2.0
203.14291	1.7
203.17935	3.1
205.19652	1.1
207.13728	1.0
213.16360	1.2
215.17967	1.8
217.19530	2.4
219.13684	1.1
219.20963	1.3
221.15417	3.5
228.86548	1.1
229.19588	2.1
231.13693	1.2
231.20972	1.1
233.15361	1.1
235.17001	1.6
241.19565	2.4
243.17426	1.5
243.18495	1.2
243.21069	16.7
245.15286	1.1
245.18990	1.3
245.22581	3.3
255.21106	2.7
261.18652	1.0
263.19983	1.1
269.22461	1.5
283.20566	1.2
287.20181	1.2
289.21542	1.3
301.21680	9.1
302.21722	1.0
303.23181	4.8
315.23141	1.8
328.08066	1.0
329.24576	1.4
343.26355	1.5
355.26340	1.1
393.35324	4.4
403.33441	1.2
411.36185	25.6
412.36441	2.4
421.34549	5.0
439.35721	100.0
440.36124	11.5
440.97580	1.0
448.81006	1.0
457.36835	12.8
457.43579	1.8
458.37158	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03954	1.5
55.05509	7.0
57.03442	3.6
57.07080	5.0
58.93877	1.2
67.05512	10.5
69.05342	11.1
69.07085	10.0
79.05503	7.4
81.07063	30.4
83.08644	4.7
85.06602	1.2
87.97189	1.2
91.05482	7.6
93.07059	15.4
95.04984	1.5
95.08617	44.8
96.08976	2.5
97.06542	1.7
97.10189	3.4
105.07045	27.6
107.08605	23.3
109.06542	2.4
109.10165	31.4
109.10916	1.8
111.11749	3.2
119.08601	19.7
121.06567	1.5
121.10155	100.0
122.10485	2.2
123.08126	3.8
123.11717	30.1
124.12105	1.6
131.08600	4.6
133.10147	7.6
135.08058	1.6
135.11697	12.6
137.09615	1.6
137.13261	22.5
145.10100	6.0
147.11699	41.1
148.12086	2.4
149.13254	10.1
151.14931	2.2
159.11726	3.3
161.13347	4.5
163.11221	1.9
163.14873	4.1
165.12767	86.0
166.13168	3.4
167.14317	9.5
173.13283	3.9
175.14883	2.6
177.16431	4.3
181.12315	3.9
187.14857	3.9
189.16461	3.5
191.17978	4.1
193.15862	1.2
198.42464	1.3
201.16467	2.0
205.19583	3.8
207.21107	1.7
213.16533	1.7
219.17491	1.6
231.21111	1.5
233.15448	2.7
233.19220	1.7
249.18652	4.4
255.21219	1.8
256.63635	1.3
275.20181	1.8
393.35468	1.4
411.36365	1.4
413.34192	1.8
419.25104	1.5
419.67746	1.4
421.34973	3.9
439.35718	12.7
440.36078	1.5
457.36859	41.7
457.43362	2.4
458.37210	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Swinniol
Peak:m/z	Relative Intensity
55.05512	22.1
57.07074	7.3
59.05018	2.1
67.05506	23.9
69.07068	32.2
69.17160	16.1
71.04968	2.1
71.08641	3.3
79.05482	13.8
81.07060	49.0
83.04985	2.5
83.08621	12.1
85.06573	2.9
91.05476	19.8
93.07047	42.1
95.04935	3.5
95.08608	71.8
96.08942	3.3
97.06536	3.8
97.10158	5.5
99.08089	2.8
102.36070	1.8
105.07031	45.1
107.08598	61.7
108.08978	2.0
109.06520	8.0
109.10158	46.0
110.10516	2.1
111.08099	4.7
111.11721	4.9
117.07032	4.3
119.08579	60.3
120.08872	2.1
121.06522	8.7
121.10138	44.9
123.08070	8.4
123.11705	19.1
125.09608	3.7
126.71765	2.3
127.07578	2.4
129.07028	2.2
131.08562	12.5
133.10127	70.9
134.10487	4.7
135.08051	7.1
135.11684	43.2
137.09605	9.9
137.13275	10.8
139.07571	2.5
143.08572	7.5
145.10106	22.4
146.10574	2.7
147.08063	3.5
147.11682	57.9
149.09624	4.7
149.13246	20.6
151.07552	2.1
151.11166	6.1
151.14859	3.4
153.09114	2.3
155.08571	3.3
157.10117	10.9
159.08025	2.6
159.11699	20.7
161.09685	4.1
161.13289	17.4
162.13451	2.2
163.07498	2.4
163.14850	12.4
165.12787	4.2
169.10027	2.0
170.10678	2.1
171.11702	6.9
173.13266	13.7
175.11288	5.0
175.14824	15.1
177.12628	3.3
177.16422	8.1
179.14275	2.9
181.10081	2.1
183.11673	2.9
185.13231	6.4
187.11176	2.9
187.14828	12.5
189.12711	3.3
189.16380	43.5
190.16699	2.8
191.14345	2.7
191.17937	32.5
197.13289	3.1
199.14850	14.7
200.20049	2.9
201.16321	10.4
203.14359	3.0
203.17967	13.8
205.15889	4.3
205.19557	4.5
207.13930	3.5
207.17441	26.8
213.16374	9.1
215.14288	3.3
215.18018	6.2
217.15869	34.4
218.16118	2.5
219.17442	7.8
227.17928	2.6
229.19530	3.1
231.17453	12.9
233.15425	5.8
233.19090	2.6
235.16948	5.5
239.17853	2.5
241.19511	3.9
241.68201	2.0
245.18990	3.2
249.18498	14.6
251.57225	2.5
255.21164	4.8
259.20563	6.4
267.20923	2.0
269.22568	3.0
271.20709	2.5
283.20551	3.6
284.26822	2.3
287.20135	2.3
329.24725	2.7
345.27914	18.2
375.29749	2.3
397.30817	4.6
409.34711	14.5
411.36441	3.5
421.29730	2.4
421.34726	34.0
422.34811	3.1
439.35803	100.0
440.12314	2.4
440.36172	11.5
457.37152	98.0
457.44196	10.8
458.37225	10.0
472.14343	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40968	1.3
53.03937	1.8
55.05513	12.7
57.07077	17.3
58.07401	2.8
61.53402	1.2
65.03924	2.3
67.05511	18.2
69.07072	24.0
69.09463	13.2
70.06591	13.4
71.04995	14.3
71.08627	7.0
73.02916	2.6
73.06570	1.9
79.05495	12.3
81.07059	37.8
83.04950	1.8
83.08608	14.9
85.06549	3.9
85.10181	3.9
88.07628	17.6
89.07978	4.6
91.05479	11.9
93.07043	32.8
95.04941	2.2
95.08609	49.6
96.08974	2.5
97.06524	5.2
97.10178	5.6
99.04485	1.3
99.08075	3.1
101.05993	2.6
102.09173	13.1
105.07029	24.8
107.04951	1.7
107.08592	40.6
107.09287	2.8
109.06512	4.1
109.10156	30.4
110.10445	1.9
111.08077	4.7
111.11720	2.1
115.07540	2.4
117.06986	2.6
119.08578	32.6
121.06521	10.8
121.10141	38.6
122.10464	2.5
123.08062	6.4
123.11720	23.3
125.09605	3.9
127.11198	18.2
131.08563	8.5
133.10136	25.9
135.08041	4.9
135.11702	27.5
137.05997	1.6
137.09642	5.1
137.13240	7.4
139.07576	2.3
139.11200	1.7
141.12769	2.0
143.08560	3.8
145.05278	1.5
145.06439	1.6
145.10132	14.3
146.55592	1.2
147.08034	1.8
147.11685	17.4
148.06314	1.3
148.11960	1.5
149.09642	7.1
149.13275	16.8
151.11198	1.7
151.14821	2.2
153.12750	5.7
156.09229	1.7
157.10150	8.3
159.08051	4.0
159.11707	17.7
160.12025	1.3
161.09575	3.2
161.13246	14.2
163.11172	5.7
163.14796	6.3
165.12775	1.8
167.10689	1.5
169.10129	3.3
171.11705	7.0
173.09732	1.8
173.13271	11.0
175.11191	3.4
175.14842	10.1
177.12785	2.0
177.16443	4.0
179.14319	2.1
181.12234	2.9
183.11674	3.7
185.13234	4.2
187.11192	3.1
187.14833	9.2
189.12743	4.3
189.16400	15.2
191.14308	2.4
191.17949	7.6
193.12289	1.6
195.13676	1.4
199.14832	4.5
200.20097	34.0
201.12732	3.6
201.16434	7.9
201.20444	22.2
203.17973	9.0
204.18336	1.5
205.15910	2.4
206.11459	1.3
207.13795	1.9
207.17563	1.6
211.14781	2.4
213.16318	3.6
215.14308	2.4
215.17969	3.7
217.15874	3.7
217.19466	9.8
218.21274	2.8
219.17369	2.2
219.21364	1.9
225.16431	1.6
227.17917	4.1
229.15770	2.1
229.19539	2.1
231.17368	5.8
233.15370	3.1
233.18886	2.0
235.16910	1.6
241.19563	2.0
243.17438	8.5
245.18929	1.9
247.16891	2.4
249.18568	5.1
255.21056	3.3
261.18445	15.1
283.26328	24.7
284.26642	34.5
285.22382	1.7
291.23169	1.9
299.23535	2.3
303.23245	1.9
315.27054	1.7
317.24805	3.8
362.72229	1.3
371.29401	3.0
379.30054	1.6
411.32535	3.8
421.35068	7.9
439.36124	20.3
440.36154	2.5
456.44043	6.1
457.36743	30.1
457.44379	100.0
458.37180	4.3
458.44077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.90690	2.5
55.05514	17.0
57.07069	6.8
67.05504	13.2
69.03435	4.6
69.07072	26.4
71.04964	3.1
73.49449	3.3
76.91580	2.7
79.05505	19.2
81.07062	45.5
83.08624	12.4
85.06551	3.6
91.05487	18.5
93.07045	64.7
95.08616	65.9
97.06543	9.4
97.10195	4.5
98.22570	8.8
99.08095	4.3
105.07037	40.9
107.08598	82.2
109.06483	8.0
109.10152	47.3
111.08102	15.2
111.11713	3.9
113.09619	4.7
117.07040	5.2
119.08579	58.0
121.09289	5.6
121.10147	81.4
123.08060	4.4
123.11702	30.2
125.09655	9.0
131.08572	17.4
133.09210	4.4
133.10133	52.0
133.11699	3.6
134.10471	3.4
135.08057	10.5
135.11691	36.4
137.09581	5.3
137.13251	15.4
138.56699	3.3
139.11186	5.2
143.08563	4.7
145.10152	37.6
147.11668	30.9
148.11996	3.8
149.09634	8.8
149.13257	100.0
151.11171	6.8
157.10127	11.2
159.11720	35.2
161.09613	7.3
161.13312	21.2
163.11186	8.8
163.14783	9.6
165.12697	3.3
167.14415	4.5
169.10204	3.7
170.10887	3.1
171.11659	13.2
173.13307	25.5
175.11186	12.9
175.14838	14.1
177.12749	9.0
177.16371	19.9
179.10826	4.8
181.99092	3.9
183.11702	9.3
185.13252	11.3
187.11217	5.1
187.14799	15.1
189.12735	12.1
189.16405	30.2
191.14246	9.2
191.17944	7.5
193.12334	4.3
195.17479	7.1
197.13287	3.9
199.14769	9.7
201.16400	38.4
203.14322	10.1
203.17932	11.4
205.15921	7.3
207.17441	4.2
211.14842	6.0
213.16281	6.0
215.14420	4.8
215.17877	14.5
217.16016	3.8
217.19547	7.5
219.17404	12.7
223.16862	4.3
225.16341	9.8
227.17932	8.7
229.15848	6.6
231.17447	5.1
233.19083	21.7
241.19362	5.2
243.17436	17.3
245.19037	5.6
251.20135	22.2
253.19460	3.8
257.18964	3.6
257.22739	4.2
261.18463	7.5
262.75494	3.0
281.22684	5.8
283.20584	5.7
283.23761	2.9
285.22174	3.8
299.23660	8.8
311.69342	3.6
361.28781	4.7
379.29886	6.9
381.31689	3.4
393.31299	3.7
397.31165	8.4
411.32532	5.0
421.34940	25.9
439.36438	59.0
440.36160	8.6
457.31836	95.7
457.37378	38.2
458.32339	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	457.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.8
55.05508	10.1
67.05499	37.5
68.00986	5.8
69.07076	21.2
69.66783	23.9
69.67207	13.2
76.28715	6.4
78.15351	6.5
78.27654	6.1
79.05510	27.5
81.07061	71.0
83.08612	6.9
91.05492	20.2
93.07046	40.2
95.08607	100.0
105.07049	42.0
107.08597	63.2
109.06546	12.5
109.10159	45.3
111.08068	11.0
119.08577	48.5
121.10158	51.0
123.11701	17.2
125.13342	7.0
131.08592	16.4
133.10132	45.6
135.11702	28.4
137.05942	8.5
142.46895	6.5
143.08597	9.8
145.10109	37.9
147.11691	28.7
149.13269	21.8
151.11235	6.6
157.10143	9.7
159.11717	26.3
161.13249	15.5
163.14824	20.9
165.12854	8.5
171.11705	8.8
173.13232	20.6
175.14876	18.8
177.16367	8.7
179.14362	6.3
181.06540	6.1
181.45851	6.1
185.13327	11.3
187.14859	19.9
189.16415	19.6
201.16394	31.4
203.17949	15.8
205.15950	8.3
211.14955	6.4
213.16438	10.2
215.17950	22.7
229.10268	6.1
231.17461	9.1
233.18929	11.4
249.18625	9.0
283.74118	7.8
301.17987	16.4
337.23468	8.7
403.33649	8.5
409.34729	12.6
421.34607	32.4
434.67773	6.7
439.36432	14.0
457.23642	14.7
457.37030	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	4.4
55.05511	19.8
57.07095	6.3
67.05516	39.0
69.07076	20.9
70.06616	6.5
70.44675	5.4
70.45017	9.5
71.04955	5.2
79.05493	27.5
79.80776	5.2
79.83331	3.8
81.07063	61.6
83.08620	10.8
84.04491	8.8
85.06555	5.8
88.12250	4.5
91.05468	24.3
93.07050	40.9
95.05003	4.6
95.08614	100.0
96.08970	5.3
97.06533	9.0
102.26528	4.5
105.07018	41.4
107.08597	54.3
109.06547	7.2
109.10165	60.8
111.08077	63.1
117.07050	6.8
119.08590	49.9
120.96643	9.4
121.10136	42.7
123.08075	8.3
123.11727	21.4
131.08577	20.9
133.10127	41.2
135.08066	8.1
135.11676	33.1
137.13278	5.2
143.08580	4.7
145.10155	36.3
147.11684	31.9
149.02390	10.6
149.13274	18.9
156.09366	6.3
157.10182	10.5
159.11687	28.4
161.13310	27.8
162.03133	8.2
163.14871	14.7
164.91994	9.1
171.11711	9.7
173.13324	20.6
175.14867	17.2
177.16415	13.6
184.04417	5.7
184.52695	4.7
187.14777	30.8
189.16367	25.6
191.17976	11.2
193.05028	6.4
195.00323	9.5
197.13441	8.7
199.14842	16.5
201.16357	29.0
203.18004	19.7
205.15906	8.3
206.05736	10.3
207.17516	9.4
213.16443	9.3
215.18053	11.9
217.15855	9.1
217.19608	5.9
219.17429	25.4
227.17908	6.9
233.19052	6.4
245.33563	4.7
337.27191	14.6
342.69122	8.6
374.34790	4.4
385.09308	5.6
387.46396	4.1
409.34637	22.7
421.34976	21.7
439.22308	7.3
439.36142	25.6
457.23282	75.5
457.31079	17.2
457.37006	60.5
457.81146	11.6
458.23471	8.8
461.70361	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.19342	2.0
53.03965	2.5
55.01870	3.7
55.05516	26.0
57.03423	2.3
57.07076	9.1
65.03941	3.5
67.05505	52.8
69.03425	4.6
69.04878	18.3
69.07068	44.2
71.04988	5.2
71.08636	4.0
79.05489	21.2
81.07059	63.6
83.04995	2.7
83.08623	17.8
85.06555	8.9
91.05486	11.1
93.07040	44.2
95.05003	6.9
95.08607	100.0
97.06530	7.8
97.10181	7.4
98.22641	4.6
98.23325	6.5
99.08059	2.6
105.07027	34.8
107.08598	57.0
107.09283	4.0
109.06499	12.0
109.10156	62.8
110.10549	2.6
111.08098	8.0
111.11737	8.0
113.09643	4.3
115.07588	2.6
117.07039	5.3
119.08592	40.2
119.68970	2.1
120.96658	5.6
121.06499	14.6
121.10149	45.6
123.08074	12.5
123.11713	37.5
125.09656	7.2
131.08598	15.1
133.06528	7.1
133.10132	31.4
134.07240	3.9
135.08047	43.8
135.11694	27.4
137.09644	7.7
137.13225	12.8
143.08614	2.8
144.09338	2.6
145.10103	28.2
147.08066	2.7
147.11685	21.0
149.09641	8.6
149.13263	11.7
151.07495	5.3
151.11177	11.2
151.14772	2.7
153.12846	2.1
155.10669	2.5
157.10162	8.2
159.11691	29.6
161.09669	3.4
161.13240	15.7
163.11195	13.3
163.14818	14.3
165.03709	7.2
165.12854	2.6
170.72951	2.6
171.11763	5.2
173.09653	2.8
173.13281	13.3
175.11263	4.1
175.14822	10.4
177.12764	8.9
177.16362	15.4
179.14287	4.4
181.12279	5.1
185.13187	4.0
187.14865	12.7
189.12849	3.1
189.16354	15.6
191.14343	7.5
191.17961	5.8
195.00291	4.3
195.13808	8.2
199.14819	2.7
201.16374	24.9
203.18013	5.1
205.15895	14.6
205.19504	2.7
207.17419	14.9
209.15431	6.1
213.16397	5.1
215.17963	50.7
215.20029	2.8
216.18294	2.9
217.16104	2.6
217.19614	2.3
219.00839	2.3
219.17458	7.7
225.16231	2.7
227.17967	3.2
231.21031	10.0
233.19020	51.6
234.19281	3.9
241.19499	2.3
251.19975	11.2
257.22775	3.2
259.20618	2.4
261.22104	4.3
275.23761	5.1
277.16052	4.4
283.24268	2.5
289.25281	5.6
289.37030	2.5
295.17252	17.3
301.25085	5.7
315.23221	3.9
337.27408	8.3
359.25687	2.9
379.30026	2.4
397.34857	2.5
411.35980	3.6
421.29611	2.6
421.34784	32.7
422.29626	2.2
422.35236	3.2
439.35886	53.3
440.35861	7.9
457.23404	20.3
457.37457	22.0
458.23325	2.6
458.37384	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Microfokienoxane B
Peak:m/z	Relative Intensity
52.05816	1.2
53.03942	1.4
53.45264	1.1
55.05511	8.3
57.03437	1.2
57.07084	4.2
65.03933	1.3
67.05511	10.9
69.07070	9.8
69.23197	9.2
71.05015	3.2
79.05502	7.1
81.07066	24.2
81.07523	1.9
83.08620	3.3
85.06570	4.8
91.05481	8.6
93.07042	21.8
93.07529	1.5
95.04974	1.9
95.08609	28.4
97.06567	3.3
97.10191	3.4
99.08095	18.6
105.07039	21.0
105.07681	1.9
107.08600	34.5
109.06547	5.5
109.10162	15.1
111.08105	3.3
111.11778	1.4
113.06052	1.4
113.09692	2.3
115.05615	1.4
115.07608	2.3
117.07057	3.1
119.08591	46.4
121.06549	2.3
121.10149	19.3
123.08088	5.5
123.11724	7.0
127.11259	2.2
129.07083	1.9
131.08566	7.7
133.10135	28.8
135.08075	4.3
135.11694	40.7
135.12654	2.3
137.09636	2.9
137.13286	4.2
141.06964	1.5
143.08621	3.0
144.09398	2.8
145.10135	16.0
147.08093	2.1
147.11690	20.3
149.09677	1.5
149.13295	7.2
151.11223	3.7
157.10168	7.6
159.11723	16.7
161.09628	2.2
161.13281	12.0
163.11226	3.1
163.14871	6.5
165.12814	1.9
167.14365	2.6
169.10141	1.8
171.11711	6.4
173.13263	10.1
175.11282	3.1
175.14857	8.3
177.12810	1.9
177.16484	3.6
183.11684	1.6
185.13368	3.0
187.14905	4.1
189.12856	3.6
189.16399	46.9
190.16777	1.9
191.18025	3.7
193.16014	1.8
195.00517	2.2
197.13354	2.2
199.14931	5.5
201.16385	6.1
203.17981	7.0
207.17461	38.5
208.17903	2.2
211.14885	1.9
213.16435	6.2
215.18027	4.0
217.15904	14.0
218.16339	1.6
219.17433	2.3
225.16400	1.7
227.18054	3.3
229.19572	1.7
231.17500	3.9
235.16931	11.2
241.19551	2.1
243.21051	1.3
245.18932	1.6
265.20029	1.6
267.21085	1.6
285.22198	2.6
295.61905	1.3
306.57574	1.3
315.18307	1.6
331.26215	1.7
345.27856	3.0
379.29916	2.2
421.34927	6.8
439.36023	17.3
440.36017	2.1
457.23621	5.8
457.36932	100.0
458.37262	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	458.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.01880	1.5
55.05492	1.8
56.05035	5.4
60.04529	25.7
69.03422	1.3
70.01940	2.2
70.06593	6.9
72.08157	14.9
74.06091	4.1
78.19165	0.6
79.05530	0.7
81.03407	0.7
83.06108	3.4
84.04505	81.5
84.08127	1.8
85.02900	2.3
85.04807	0.7
86.09703	9.1
87.05587	2.9
87.09921	0.6
91.05482	1.5
94.06580	0.9
95.01321	2.1
97.02872	1.1
98.76498	0.8
101.07142	62.8
102.05543	13.6
102.07462	1.4
103.05461	1.4
105.06608	0.8
111.05581	1.4
112.03965	36.6
112.07547	0.8
112.08750	0.8
113.07106	2.6
115.05450	1.0
116.07095	0.7
119.04932	0.8
121.07640	0.7
122.06026	10.1
125.07132	1.8
128.06223	0.9
129.06604	32.1
129.10249	1.6
130.00308	0.7
130.05003	11.9
131.04955	1.4
133.06126	0.7
134.04616	0.7
137.05974	2.1
137.07008	1.0
139.05048	2.4
139.08688	1.2
140.07098	3.0
141.06854	1.5
143.11798	0.8
145.06445	0.7
147.04422	0.8
147.07629	1.5
149.07086	1.4
150.05502	16.6
151.07417	0.9
153.06595	4.7
155.11772	0.7
165.06610	1.4
166.09773	5.5
167.08173	21.8
169.06210	0.8
170.09227	2.5
171.11182	1.0
173.05896	0.8
173.12822	1.1
178.04935	1.5
181.06075	3.6
182.02904	0.7
182.04874	1.5
184.10889	3.0
185.09283	2.7
185.16525	1.4
186.08716	0.8
193.06146	0.9
194.09259	15.3
195.07657	25.4
196.07967	0.8
198.08751	4.3
199.03934	0.7
201.05455	3.7
202.11880	1.1
208.02902	1.5
208.10881	0.8
212.03828	0.8
212.10298	39.8
213.08713	1.1
213.10579	1.3
213.16000	1.5
218.09189	1.2
219.07678	0.7
222.08707	1.1
223.07190	1.6
230.11299	1.2
236.10303	0.8
240.09811	21.8
241.10165	0.8
243.06517	0.8
246.14519	1.2
247.06947	0.9
258.10852	9.7
264.09784	4.5
281.12387	1.7
299.13730	0.7
305.12543	0.8
306.10803	2.3
313.15103	2.9
315.12958	5.9
322.79776	0.6
323.13440	10.3
324.11792	1.9
327.08713	1.0
331.16132	3.1
341.14554	100.0
342.14850	4.9
344.68381	0.7
359.15594	12.0
383.02475	0.6
412.21689	1.7
440.21350	4.6
443.65530	0.6
458.30902	1.1
459.18204	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	458.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.1
55.01881	8.8
55.05519	11.8
57.03441	8.0
57.07074	10.7
67.05508	30.9
68.80724	3.0
69.03129	19.9
69.03507	9.6
69.07068	7.5
71.04990	5.6
71.08640	7.5
73.02914	3.2
79.05492	16.4
81.03434	16.1
81.07056	30.5
83.08654	5.1
85.02890	4.1
85.10168	3.9
91.05476	6.4
93.07034	21.3
95.08611	25.6
97.02903	19.6
97.10183	3.8
97.34172	3.1
99.04465	29.5
105.06999	8.3
107.08583	15.2
109.02872	20.3
109.10165	11.6
119.08605	9.1
121.10155	11.1
123.11687	4.4
127.03919	41.1
131.08635	5.0
133.00914	3.0
133.10095	5.7
135.11722	6.1
138.32259	2.8
145.04958	5.6
145.10146	6.2
146.98177	30.8
147.11699	6.5
185.52608	3.0
243.21188	3.7
261.22235	5.3
313.27374	11.8
338.27859	11.2
423.27335	6.6
458.23990	3.0
458.31680	20.8
458.37253	6.9
459.24814	100.0
459.34961	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	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	30.9
54.56321	14.2
55.05517	35.4
57.03437	18.3
62.87291	15.9
67.05508	77.1
69.03436	59.0
69.07080	36.8
70.98234	18.9
77.05116	16.3
79.05501	64.1
81.03413	92.7
81.07060	84.8
83.08633	18.9
85.02911	66.4
91.05482	71.1
92.11225	14.2
93.07034	100.0
95.05006	21.8
95.08605	83.0
97.02908	57.7
105.07053	45.8
107.04971	16.1
107.08595	53.4
109.02875	26.8
109.10184	56.5
117.07022	14.3
119.08598	52.8
121.10169	47.5
123.11714	22.3
127.03911	25.7
129.06990	18.2
131.08543	37.0
133.10081	34.2
135.11691	29.6
137.78218	13.8
145.10124	40.1
147.11653	35.6
149.13318	26.4
159.11607	33.9
171.11806	17.0
173.09499	14.5
173.13416	17.7
180.08688	21.2
243.31192	17.3
266.39078	17.2
365.72198	16.9
369.24130	18.2
457.81274	21.6
476.97571	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	458.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	21.4
57.07077	13.2
57.45490	2.9
61.06297	2.6
61.83790	2.9
62.04491	2.8
65.03934	3.3
67.05511	31.3
68.05874	3.2
69.07067	38.5
70.07401	5.2
71.08643	4.9
79.05497	21.1
81.07058	64.1
82.07396	5.5
83.04966	3.5
83.08638	22.8
85.06563	4.7
91.05480	18.9
93.07051	48.3
93.16185	3.4
94.07376	4.8
95.08611	100.0
96.08961	12.6
97.06532	4.1
97.10178	9.4
99.08096	2.9
100.07623	10.2
103.85081	2.7
105.07040	38.5
106.07406	4.5
107.08593	70.1
107.09283	4.8
108.08979	4.1
109.06516	4.8
109.10159	76.9
110.10509	10.3
111.02316	3.3
111.08083	4.4
111.11735	7.3
114.09186	4.1
117.42552	3.1
119.08577	49.2
119.09349	5.1
119.32295	3.5
120.08938	8.4
121.06515	6.2
121.10149	78.5
122.10499	13.0
123.08080	12.2
123.11703	43.4
124.12045	5.7
125.09686	3.5
128.10709	3.1
131.08606	10.7
133.10123	55.9
135.08047	9.1
135.11697	40.8
135.48219	2.9
136.11995	5.4
137.09659	6.3
137.13258	24.6
138.13634	3.8
138.81958	3.6
139.07552	4.3
143.08574	4.5
145.10141	22.1
146.10536	5.0
147.11684	40.9
148.12004	6.7
149.09697	4.0
149.13252	24.2
150.13673	4.9
151.11168	9.1
151.14825	6.9
157.10133	6.6
159.11678	15.9
160.12106	3.5
161.09695	4.7
161.13280	21.0
162.13560	4.0
163.11221	10.3
163.14832	10.5
165.12773	11.7
168.13855	9.8
171.11740	10.7
173.09589	3.9
173.13200	16.0
174.13568	3.7
175.11168	4.5
175.14806	14.7
176.15118	3.2
177.12683	7.2
177.16376	9.7
179.14445	3.3
180.13780	3.1
183.11723	3.8
185.13286	4.9
187.14819	15.3
189.16385	21.8
190.16803	3.5
191.14357	5.4
191.17947	13.7
201.16382	15.4
202.16820	3.3
203.17995	14.8
205.15871	5.0
205.19485	4.0
207.17390	4.8
213.16350	6.1
215.18008	7.2
217.15874	4.8
217.19562	10.7
219.17465	3.9
221.18921	4.0
241.19566	4.3
243.64375	3.5
244.12392	3.3
257.22754	4.0
259.20865	6.4
271.20596	3.8
271.24200	7.7
273.25720	6.5
276.23322	12.4
285.25772	14.0
339.26785	3.9
342.28613	3.5
399.70129	2.7
405.35168	4.0
412.37054	4.0
422.35059	6.4
423.31635	4.6
423.36380	10.6
440.39548	33.4
441.37628	13.4
458.39523	58.1
459.34399	6.2
459.40195	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	459.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.05009	0.6
56.28991	0.5
57.03442	0.9
57.07079	0.8
58.12438	0.5
61.26440	0.4
63.04492	0.7
68.46182	0.5
69.03423	1.4
70.06607	2.7
72.08158	1.7
74.06080	0.5
79.05477	0.6
81.03428	1.1
81.07063	0.5
84.04478	0.5
85.02908	5.0
86.09714	2.6
91.05479	2.0
95.04932	0.5
97.02882	1.9
98.23375	1.1
107.03600	0.5
109.02863	0.6
117.08349	0.5
119.04927	1.6
119.10731	3.6
119.34566	0.5
120.06575	1.0
127.03901	1.5
127.81448	0.4
129.10269	0.7
131.04913	0.5
134.04626	12.3
137.05959	1.2
140.02792	0.7
145.04973	2.0
147.04404	8.1
149.06081	0.6
149.99973	1.1
152.05693	3.2
163.05969	0.7
165.02307	12.3
165.05507	0.8
166.02373	0.5
167.02594	0.9
178.03592	0.9
182.04967	82.7
183.03448	0.6
183.05235	2.5
208.02885	100.0
209.03226	2.8
211.13054	0.9
236.98965	1.1
243.04694	0.8
252.86908	0.5
255.00125	0.8
287.03745	8.4
289.05246	3.4
327.08694	47.4
328.04764	0.6
328.08786	2.3
340.07050	0.7
415.19446	1.4
458.30399	0.6
459.18045	13.2
459.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.05009	0.6
56.28991	0.5
57.03442	0.9
57.07079	0.8
58.12438	0.5
61.26440	0.4
63.04492	0.7
68.46182	0.5
69.03423	1.4
70.06607	2.7
72.08158	1.7
74.06080	0.5
79.05477	0.6
81.03428	1.1
81.07063	0.5
84.04478	0.5
85.02908	5.0
86.09714	2.6
91.05479	2.0
95.04932	0.5
97.02882	1.9
98.23375	1.1
107.03600	0.5
109.02863	0.6
117.08349	0.5
119.04927	1.6
119.10731	3.6
119.34566	0.5
120.06575	1.0
127.03901	1.5
127.81448	0.4
129.10269	0.7
131.04913	0.5
134.04626	12.3
137.05959	1.2
140.02792	0.7
145.04973	2.0
147.04404	8.1
149.06081	0.6
149.99973	1.1
152.05693	3.2
163.05969	0.7
165.02307	12.3
165.05507	0.8
166.02373	0.5
167.02594	0.9
178.03592	0.9
182.04967	82.7
183.03448	0.6
183.05235	2.5
208.02885	100.0
209.03226	2.8
211.13054	0.9
236.98965	1.1
243.04694	0.8
252.86908	0.5
255.00125	0.8
287.03745	8.4
289.05246	3.4
327.08694	47.4
328.04764	0.6
328.08786	2.3
340.07050	0.7
415.19446	1.4
458.30399	0.6
459.18045	13.2
459.31464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83432	1.8
52.77835	1.6
53.03946	2.1
55.01889	2.0
55.05518	2.2
57.03443	2.2
59.54003	1.8
61.87103	1.6
69.03427	15.0
69.07069	2.0
70.06590	12.4
71.01370	2.7
71.04987	2.5
72.08154	13.5
73.02913	4.3
79.05486	4.0
81.03419	4.5
84.08157	6.7
85.02908	25.0
86.09708	24.8
91.05474	10.8
94.04182	4.2
95.04999	3.4
97.02901	11.1
99.04462	1.8
102.09670	1.9
103.03999	2.5
103.05475	69.4
104.05797	3.0
105.03395	3.5
105.07052	2.7
107.04953	3.5
115.05453	5.4
117.07009	4.9
119.04948	9.8
121.06518	3.2
122.03628	9.3
123.04419	15.7
124.99487	2.0
127.03915	5.2
129.07050	4.0
129.10289	2.9
130.06503	3.0
131.04930	84.1
133.02859	42.9
133.05019	2.1
133.06355	2.4
135.04427	2.6
136.07613	2.0
137.05978	100.0
138.06320	3.0
145.04979	1.9
145.06502	7.2
147.04422	28.0
147.07852	1.7
148.07556	8.6
149.05989	77.2
150.06628	2.7
151.03922	2.0
151.07536	5.8
157.06554	3.5
159.04428	5.3
160.05200	2.6
161.05980	8.3
162.06783	5.0
163.07562	6.9
165.05452	11.7
166.08627	4.7
167.06995	4.3
169.06499	2.5
173.06021	6.8
175.07574	8.2
176.04688	2.0
177.05484	11.0
177.09138	3.7
185.06079	2.7
187.07620	8.6
191.07071	7.1
203.07057	4.2
215.07103	3.5
217.08437	1.9
218.07436	1.8
219.08005	5.2
228.17836	2.8
232.12993	4.1
233.08171	2.4
247.07581	3.9
297.11313	10.2
329.26614	1.9
459.18091	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	459.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81213	0.5
51.26884	0.4
53.94850	0.4
56.88440	0.4
69.03446	0.4
69.07075	0.7
69.28359	3.2
72.08160	0.8
81.07064	0.4
82.74254	0.4
86.09711	1.9
95.08620	0.5
97.02927	0.5
109.06535	0.7
113.10605	0.5
127.03957	0.4
137.05977	0.9
145.04987	0.4
147.04419	1.7
147.09193	0.6
156.51855	0.4
163.08669	0.5
166.09706	0.4
167.10490	0.8
175.08650	1.2
183.89575	0.4
201.12190	0.4
203.05365	0.5
211.13097	6.4
211.14966	0.8
211.25679	0.4
237.87665	0.4
239.12640	1.8
253.14081	0.5
253.62222	0.4
267.81906	0.4
271.04462	0.4
297.14532	1.5
355.17496	0.7
356.60165	0.4
373.18292	12.8
374.18561	0.5
397.18347	0.9
415.19391	40.2
416.19696	3.1
459.18399	100.0
459.24731	7.3
460.18726	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	459.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56156	0.7
53.03944	3.2
55.01871	33.2
55.05508	13.2
57.03436	2.7
57.07072	1.5
59.04992	1.3
61.02925	1.7
65.03933	2.2
67.05505	21.7
69.03437	4.4
69.07066	27.9
69.08067	3.8
69.08492	2.8
70.06592	4.1
71.04991	15.6
72.08154	4.3
73.02914	1.5
73.06544	2.0
74.59908	0.7
75.04457	1.3
77.03943	0.8
79.05492	19.2
81.03398	1.6
81.07057	62.3
82.07394	2.1
83.01335	12.3
83.04984	19.2
83.08624	6.7
85.02896	5.2
85.06541	9.9
85.33057	0.7
86.03299	0.6
86.09721	1.4
87.00851	1.4
87.04456	2.5
91.05476	16.0
93.07043	61.4
94.07358	1.5
95.04968	26.6
95.08604	28.5
96.05275	0.9
96.08950	1.2
97.02867	0.9
97.05898	1.6
97.06531	29.8
98.22609	1.2
99.04451	15.4
99.08088	2.2
101.02389	1.0
101.06004	1.4
105.04522	1.6
105.07028	40.2
106.07398	1.4
106.98162	0.6
107.04945	2.4
107.08593	25.2
109.06522	17.1
109.10158	10.4
111.00800	19.7
111.04436	1.2
111.08077	73.2
111.11720	0.9
112.08414	1.2
113.02374	1.0
113.06035	5.1
115.03907	4.9
115.07552	2.4
117.07034	2.0
117.49072	0.7
119.03472	0.7
119.04929	2.2
119.05985	0.7
119.07759	1.5
119.08569	20.0
121.06505	23.3
121.10120	7.0
122.06786	1.0
123.04446	4.6
123.08057	7.2
123.11702	31.5
124.12105	1.0
125.05977	10.8
127.03906	2.1
127.07546	6.2
128.06238	1.1
129.01828	7.6
129.06966	2.7
131.08522	5.0
133.06479	3.1
133.09068	1.0
133.10120	21.5
135.08054	12.0
135.11705	3.2
137.05988	2.2
137.09590	1.5
137.13231	1.7
139.07532	17.8
139.11089	1.2
140.07788	0.7
141.05469	2.3
141.06989	0.7
141.11481	0.7
142.07787	3.4
143.03406	10.6
143.07034	6.8
143.08514	3.6
145.06511	0.8
145.10120	5.7
147.08044	3.4
147.11679	43.1
148.11954	1.7
149.09569	2.4
149.13281	4.2
151.07539	2.5
151.11185	23.8
153.09128	1.7
155.07048	1.3
155.08415	0.9
156.09335	1.8
157.01251	1.1
157.08586	5.9
157.10115	7.8
159.06534	4.4
160.08853	1.3
161.04533	4.1
161.05829	1.2
161.13220	4.4
163.11183	1.9
165.09099	1.7
165.12758	18.9
169.12234	100.0
170.12581	3.3
171.02885	19.5
171.11708	6.3
173.09561	1.4
173.13232	1.1
175.09679	1.7
175.11185	29.6
175.14754	1.2
176.11453	1.3
179.14345	0.8
181.10095	1.9
189.03885	4.5
189.12737	15.1
191.10532	1.0
191.14214	0.9
193.12236	42.9
193.15865	3.0
194.12566	1.6
199.11148	9.2
207.13844	8.0
209.11687	1.2
209.15375	1.3
211.13290	74.1
212.13683	3.5
213.03938	1.4
217.03525	0.9
217.12227	34.8
218.12474	1.4
225.14896	1.6
227.12701	0.9
229.14342	22.5
230.14722	0.9
231.04984	45.9
232.05365	1.8
235.13283	27.4
236.13574	1.8
253.14343	22.0
381.15424	2.0
409.20581	1.0
423.16513	3.5
427.13260	0.9
441.17511	3.6
459.17838	2.4
459.24646	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05512	7.2
67.05505	18.8
69.03433	11.1
69.05663	18.5
69.06079	9.4
69.07066	9.5
74.21377	3.2
79.05508	6.3
81.03423	6.9
81.07059	16.3
83.04964	8.2
83.08628	5.9
85.02906	11.4
87.00831	3.0
91.05471	5.2
93.07044	11.1
94.86134	3.3
95.08614	26.5
97.02953	3.5
97.10205	3.4
99.08077	3.1
100.68344	2.5
105.01873	4.9
105.07039	11.7
107.08618	24.7
109.06532	9.9
109.10153	100.0
119.08583	37.6
121.10126	9.7
123.08089	12.9
123.11725	7.6
127.03916	6.8
133.10124	21.6
135.11690	99.9
136.99794	2.9
137.09615	14.1
147.11649	5.0
148.12010	3.5
149.13303	8.0
151.11197	8.5
151.14803	7.4
165.16373	4.7
175.13387	5.4
175.14819	44.4
193.15887	68.2
211.16922	59.4
227.34300	2.9
355.12021	3.1
430.13828	2.6
440.69208	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.8
67.05514	18.7
69.03421	10.1
69.07074	13.9
79.05531	7.1
81.07062	30.6
83.04997	8.3
85.02923	7.3
85.06571	4.8
93.07067	10.5
95.08633	35.8
98.22535	8.4
99.08101	7.6
107.08601	23.1
109.06531	9.7
109.10166	100.0
119.08591	42.3
121.10126	13.0
123.08105	18.3
123.11715	13.4
127.03918	7.3
133.10146	20.8
135.11703	91.3
137.09650	21.2
149.13329	6.9
150.42088	4.5
151.11195	7.2
151.14838	8.9
153.12801	5.8
165.16383	6.8
175.14880	41.3
193.15895	59.2
211.16936	90.7
219.67485	5.5
274.53204	5.2
415.19177	14.5
459.18427	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	459.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01868	1.6
55.05515	5.2
65.03942	1.1
67.05510	4.9
69.03445	1.1
69.07073	2.1
69.61033	3.7
77.75495	0.7
79.05487	4.5
79.39414	0.6
81.07058	4.7
83.04494	0.8
83.04983	12.5
91.05498	8.4
93.07053	8.2
95.04982	2.0
95.08611	10.4
96.08920	1.1
97.06567	1.5
102.06361	0.6
103.05474	0.9
105.07040	7.4
107.08595	7.5
109.06537	1.4
109.10174	2.2
111.04447	6.6
111.08099	3.6
115.05455	1.4
117.07043	2.9
119.08596	7.8
121.06528	2.9
121.10153	2.9
123.08073	1.7
128.06238	2.9
129.07021	4.3
130.07761	1.0
131.08560	6.0
133.10124	7.2
135.08090	2.0
135.11702	1.6
137.06010	0.9
139.07573	1.6
141.06985	4.1
142.07785	2.2
143.08588	7.1
143.65094	0.7
145.06548	0.9
145.10155	5.8
147.08043	1.9
147.11729	2.1
149.09637	0.8
153.07030	1.3
154.07787	3.1
155.08563	13.1
156.09349	3.7
157.06540	1.2
157.10146	3.7
158.07310	1.1
159.08101	2.5
159.11694	3.9
161.09659	2.7
164.26576	0.8
165.07014	3.1
166.07784	0.9
167.08588	6.3
168.09303	2.0
169.10127	8.8
170.10844	1.6
171.08090	1.8
171.11755	3.7
172.08890	1.9
173.09605	1.9
173.13251	1.4
175.11269	1.2
178.07768	1.3
179.08582	6.2
180.09418	1.9
181.10133	3.5
181.14841	0.8
182.07205	1.0
182.10872	1.2
183.08141	0.8
183.11729	3.0
185.09677	1.7
185.13309	1.0
187.11246	3.4
189.07010	0.8
189.12761	0.8
191.08571	2.1
192.09360	2.7
193.10097	5.4
194.10866	3.8
195.08032	4.2
195.11699	3.2
196.08487	0.8
196.12386	1.0
197.09605	6.3
197.13324	2.1
199.11221	1.5
199.14821	1.0
202.07761	1.0
203.08586	2.5
204.09378	1.5
205.10149	3.2
205.11989	0.8
206.10942	3.7
207.11694	7.2
208.12405	2.1
209.13258	4.1
211.11143	1.3
211.14857	0.9
215.08580	2.6
215.10724	7.0
216.09325	2.1
217.10182	3.6
217.12030	0.7
218.10855	2.1
219.11711	5.0
220.12546	2.3
221.09645	1.4
221.13272	4.6
222.10356	0.8
222.13882	0.8
223.11143	2.0
223.14775	1.3
225.12740	1.9
229.10106	3.7
230.10953	3.0
231.11684	5.0
232.12466	2.6
233.09668	1.2
233.13203	3.9
234.13930	1.0
235.11156	2.2
235.14865	2.0
237.12755	1.4
239.14249	1.4
241.12366	1.3
242.10974	1.9
243.11749	4.9
244.12517	3.7
245.09558	1.4
245.13274	6.1
245.28262	0.8
246.14040	1.4
247.11195	2.9
247.14876	2.4
248.11964	1.3
249.12753	1.0
249.16536	1.7
251.10866	0.9
251.14331	0.8
253.12415	1.2
255.11603	1.3
255.13881	3.0
256.12540	2.0
257.13193	4.5
258.10233	1.1
258.13959	3.1
259.11163	2.3
259.14798	5.9
260.15579	1.7
261.09445	0.7
261.12769	1.6
261.16409	2.0
263.14297	1.6
265.12354	0.9
267.13846	3.1
269.13214	2.1
270.13889	1.1
271.11288	1.5
271.14780	3.3
272.12070	0.7
272.15524	2.0
273.12860	1.8
273.16400	4.2
274.16983	1.0
275.14359	1.7
275.18015	1.7
277.12369	1.0
277.15698	1.1
281.15741	0.8
282.14136	1.0
283.14752	1.6
284.15549	1.8
285.12732	2.2
285.16443	3.7
286.13489	1.1
286.16925	0.9
287.14294	2.6
287.17993	2.6
289.15927	1.4
291.13757	1.1
293.15515	1.5
297.16479	1.0
299.14316	1.8
299.17984	3.4
300.15140	1.0
300.18512	1.6
301.12521	0.9
301.15802	2.5
301.19479	1.9
302.16687	1.6
303.13809	1.4
303.17340	1.8
305.15564	1.3
309.16476	1.3
313.15808	1.6
313.19543	0.9
314.16599	0.9
314.20071	0.8
315.17554	1.4
315.20959	1.3
317.15381	1.1
318.16110	0.9
319.16895	1.8
321.18689	0.8
325.15921	1.0
327.17471	3.8
329.15256	0.9
329.18915	1.3
330.19806	0.8
331.20621	1.1
342.19730	1.8
345.18430	4.8
346.19324	1.3
347.20074	0.9
359.19858	1.7
360.20999	2.6
399.23184	3.1
409.30853	1.2
410.31265	1.1
411.31628	8.6
413.24832	6.6
415.26401	3.3
423.23395	1.9
431.25705	1.5
441.24265	25.4
441.33218	1.1
442.24518	3.4
459.25330	100.0
460.25687	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	459.3472
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05510	23.1
57.07082	9.9
61.12327	4.3
64.05651	4.9
67.05501	29.0
69.07067	36.0
71.04983	8.5
71.32702	7.1
79.05505	15.6
81.07068	51.3
83.08608	18.3
85.06550	21.6
85.73394	5.5
89.67068	5.0
91.05485	15.9
92.49072	4.9
93.07040	26.8
95.08612	47.4
97.06486	5.9
97.10181	20.0
97.10838	4.3
105.07059	33.3
107.08572	47.5
109.10130	32.3
117.07056	5.4
119.08579	33.8
120.96660	20.0
121.06604	5.1
121.10133	32.8
123.08112	6.9
123.11685	12.5
131.08565	10.4
132.75313	4.8
133.10138	31.8
134.98204	15.7
135.11705	23.5
137.09666	5.9
137.13313	5.4
137.47198	4.5
145.10146	21.8
147.11717	21.4
148.11969	5.4
149.13277	11.9
157.10129	13.3
159.11711	13.4
161.09630	6.8
161.13289	13.7
163.14827	6.8
171.11754	6.5
173.13292	15.0
175.14839	11.3
177.16418	5.7
189.16467	10.7
195.00383	6.1
201.16316	9.2
203.14278	8.0
203.17967	11.1
227.17818	5.5
325.27448	5.3
339.29056	33.9
423.32587	18.1
441.33496	40.6
459.25046	40.3
459.34671	100.0
460.25079	6.4
460.34888	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	459.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44077	0.7
55.05510	8.0
57.03435	1.6
57.07069	3.4
57.71890	0.8
65.34642	0.8
66.13591	0.8
67.05509	11.8
69.03439	1.3
69.07072	15.1
69.62509	1.0
70.39400	0.9
71.04998	3.0
71.08638	1.0
71.31097	1.2
71.31453	0.9
79.05498	12.3
81.07059	27.7
81.63979	0.9
83.04984	2.2
83.08617	5.9
85.06550	100.0
85.27544	0.9
86.06886	2.3
88.55138	0.9
91.05479	12.7
93.07050	16.7
95.04969	1.9
95.08613	33.8
97.06535	4.2
97.10178	2.2
99.04447	1.0
99.08102	5.4
105.07043	22.2
107.08597	45.4
108.08929	2.0
109.06528	3.2
109.10165	20.3
110.10542	1.1
111.08087	2.8
111.11716	1.9
113.09628	1.3
115.07565	1.1
117.07016	2.5
119.06046	0.9
119.08585	34.1
120.08901	1.6
121.06525	2.6
121.10151	23.1
122.10505	2.2
123.08059	4.3
123.11717	18.4
124.08443	1.0
125.05999	1.1
125.09640	2.4
127.11205	0.9
129.07025	1.7
131.08565	8.6
133.10141	28.0
134.10478	1.0
135.08064	33.5
135.09099	1.6
135.11679	19.2
136.08401	1.4
136.11949	1.0
137.09595	3.1
137.13258	6.0
139.11198	2.0
140.99492	1.0
141.12741	2.0
142.07846	1.0
143.08572	3.0
145.10114	9.3
145.46494	0.9
147.08080	2.3
147.11697	20.5
149.09619	4.7
149.13275	8.1
151.07565	4.9
151.11214	2.0
151.14822	2.1
153.09192	1.2
157.10130	4.5
159.11720	10.9
161.09628	2.4
161.13264	10.8
163.11183	1.8
163.14870	5.3
165.12747	1.2
167.10678	7.0
171.11749	4.6
173.09595	1.5
173.13261	7.0
175.11232	2.8
175.14836	9.1
177.09120	1.0
177.12756	5.0
177.16414	3.4
181.12151	1.2
183.11711	1.4
185.13246	3.4
187.14804	7.4
189.12819	2.2
189.16393	56.3
190.13013	0.9
190.16757	2.8
191.10675	2.0
191.14290	3.1
191.17967	5.0
193.15918	1.7
195.10219	4.6
195.13873	1.8
195.17448	1.9
197.02094	1.6
199.14867	4.6
201.12750	1.1
201.16377	3.7
203.14302	2.4
203.17975	4.3
205.15894	1.4
205.19597	1.7
207.13882	1.2
207.17465	4.3
209.13358	1.5
213.16408	3.2
215.17979	2.3
217.15903	1.7
217.19521	3.7
219.17387	1.5
225.16374	1.3
227.17795	2.3
229.19493	1.2
231.17464	1.9
233.15454	1.5
233.19035	1.6
245.19049	2.0
247.17015	1.5
249.18575	10.0
253.19484	1.1
255.21016	1.7
269.22629	1.1
271.20718	1.4
282.97845	1.0
285.21869	1.0
289.21826	1.3
303.23370	1.4
339.27115	2.0
341.04236	1.0
358.22519	0.9
371.33090	2.1
381.31653	7.7
389.27234	1.1
399.28189	12.8
399.32767	8.3
400.28854	1.4
405.73862	0.9
423.32465	3.9
441.34460	5.9
442.33887	1.1
459.30200	5.5
459.34735	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05511	19.7
57.07080	13.3
59.08309	7.0
65.79195	6.0
67.05511	28.2
67.64813	5.5
69.07062	48.2
79.05492	16.0
81.07043	54.8
83.08632	19.5
91.05481	25.4
93.07039	37.1
95.04950	7.8
95.08601	100.0
97.10181	9.5
99.98396	8.0
103.11297	6.9
104.05145	7.9
105.07029	50.5
107.08598	48.3
109.10164	56.5
111.11734	18.6
119.08578	47.3
121.10137	47.1
123.08077	16.2
123.11753	20.4
131.08540	10.0
133.10123	67.4
135.11705	36.0
137.13280	11.2
137.72679	7.7
145.10173	10.2
147.11685	58.6
149.13181	14.9
151.14914	8.5
153.09044	11.6
159.11681	7.6
161.13275	28.3
163.14798	9.9
165.12791	9.3
175.14822	15.2
177.16447	9.0
179.10748	6.9
181.12111	7.1
189.16367	50.0
189.52907	6.7
191.17943	56.1
193.12502	8.3
203.17932	32.2
205.19574	10.8
209.15411	8.0
217.19562	22.1
219.17473	10.0
221.19075	49.9
223.16891	9.5
229.19580	12.5
229.29228	9.9
231.21101	19.9
245.22586	10.8
249.18604	29.0
309.32224	7.2
353.28317	10.7
356.30383	6.9
372.51331	6.7
423.35995	16.0
441.37259	84.6
459.38223	56.6
460.38651	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	459.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05507	19.9
57.07077	10.0
59.05007	3.9
59.08614	3.1
67.05505	21.1
69.03432	8.9
69.07071	34.0
69.11015	10.4
69.11442	12.9
71.05013	3.8
73.23742	2.8
74.42223	2.9
79.05486	24.3
81.07051	52.2
83.04977	6.5
83.08617	11.9
85.06541	4.8
91.05472	16.6
93.07045	57.0
95.08605	76.6
96.08923	5.8
97.06548	6.6
97.10195	9.6
97.31413	3.0
99.08144	3.7
101.05999	2.9
105.07038	44.5
106.07378	3.8
106.31670	3.3
107.08603	76.7
108.08923	4.8
109.06493	8.0
109.10151	44.3
109.41375	3.3
110.10487	3.4
111.08090	8.7
111.11788	5.5
117.06993	5.9
119.08588	52.7
121.06490	3.9
121.10143	84.5
122.10471	3.8
123.08022	6.9
123.11694	32.2
125.09625	16.4
127.07546	3.4
131.08565	15.8
133.06522	13.5
133.10144	43.1
134.07257	4.3
134.10422	3.6
135.08051	34.8
135.11688	44.7
136.12035	3.6
137.09683	5.7
137.13263	13.9
139.11179	5.9
143.08572	5.7
143.10667	5.3
144.09364	3.5
145.10139	25.9
147.11699	36.8
149.09650	6.3
149.13251	62.3
150.13611	3.1
151.07596	9.2
151.11194	3.6
151.14862	4.1
157.10149	9.9
158.10831	3.7
159.11694	31.8
161.09619	4.2
161.13268	20.8
163.11223	7.1
163.14836	17.1
165.03752	6.1
165.12837	3.6
167.03223	6.1
167.14359	3.6
169.10201	3.9
171.11711	9.3
173.13254	21.1
175.11176	3.0
175.14792	15.1
177.12689	4.5
177.16393	17.8
179.05286	3.4
183.11711	6.4
185.13289	10.7
185.65059	3.1
187.14832	26.2
189.16344	27.7
191.10716	14.0
191.14386	4.2
191.17943	16.5
193.15935	3.2
195.17447	7.4
197.13239	4.3
199.14830	10.1
201.16357	43.9
203.14308	6.0
203.17923	29.6
205.15897	10.1
207.17474	12.2
211.14816	3.6
213.16406	13.4
215.17973	14.2
217.19473	5.2
219.17502	13.7
221.36652	2.9
223.16832	6.2
225.16438	4.3
227.17966	18.6
229.19537	8.3
233.19012	19.6
241.19466	3.3
243.17773	3.5
243.21001	3.9
249.14995	3.6
251.20070	16.9
253.19530	3.5
255.21060	3.9
269.22690	4.0
278.04599	3.7
281.22583	4.7
283.24210	16.7
295.17236	15.0
296.17755	3.7
297.16904	16.2
301.21527	3.2
325.14658	3.6
340.27457	7.1
405.35187	8.3
423.36389	100.0
424.36459	11.7
441.32925	10.5
441.37390	19.5
459.34802	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
55.05509	23.1
57.07083	8.5
60.44639	3.0
67.05508	27.0
69.07072	45.4
69.11202	8.1
69.11616	23.4
79.05487	14.0
80.88181	3.0
81.07061	61.6
83.04978	3.7
83.08618	20.0
91.05476	20.6
93.07053	40.4
95.04989	3.4
95.08611	100.0
95.46898	3.2
96.08981	5.6
97.06516	8.5
97.10168	11.1
99.04472	4.6
105.07027	50.8
107.08595	69.0
109.06554	6.0
109.10165	66.4
110.08627	3.0
110.10536	4.1
111.11728	13.6
119.08576	58.4
121.10150	55.2
123.08066	15.7
123.11706	34.0
131.08571	5.7
133.10126	59.8
135.08099	4.7
135.11679	36.7
137.09657	3.4
137.13261	15.8
145.10138	10.5
147.11676	57.4
149.13225	17.4
151.07664	4.3
151.11169	7.9
151.14893	4.0
153.09030	5.1
159.11713	11.1
161.13255	23.2
163.14810	10.3
164.98848	3.3
165.12810	3.8
167.10634	4.6
173.13254	4.6
175.11177	3.8
175.14880	12.3
177.16356	6.5
179.10576	3.3
181.12158	4.1
187.14871	4.6
189.16409	42.2
191.17928	46.9
193.12273	9.8
193.15828	3.8
203.17970	38.2
205.19502	12.5
207.17487	3.6
215.17999	4.1
217.19528	15.3
219.17421	4.9
221.19029	29.0
223.16887	5.6
229.19554	8.2
231.17435	3.6
231.21042	7.0
245.22691	5.7
249.18497	18.4
263.58081	3.0
267.21069	3.6
303.23099	4.0
338.94348	3.8
353.28067	4.3
405.35605	4.4
423.36105	14.1
424.65244	3.8
441.37292	92.7
442.37430	11.3
459.38403	39.3
460.38690	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	459.3834
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
50.83230	2.5
53.03951	4.5
55.05509	14.8
55.40728	2.5
57.07087	18.4
64.17480	2.2
65.03953	3.3
67.05505	25.5
69.07067	35.3
79.05495	14.2
81.07059	52.0
83.08630	17.0
85.06566	6.3
91.05493	21.4
93.07043	43.6
94.17400	3.0
95.08609	100.0
96.08911	3.2
97.06549	7.0
97.10168	9.7
98.22559	6.6
101.05955	4.6
105.07034	51.6
106.50825	2.7
107.08606	66.4
109.06538	4.7
109.10155	66.3
110.09829	2.5
111.08090	5.9
111.11730	11.6
116.35152	3.0
119.08588	64.4
120.08886	3.0
121.10145	55.5
122.10523	4.4
123.08064	8.7
123.11715	39.2
125.09651	4.7
125.81551	2.7
131.08554	7.9
133.10124	77.2
135.08058	4.4
135.11688	33.4
136.12003	3.4
137.09642	5.1
137.13260	12.8
139.07530	13.3
143.68114	3.0
145.10110	16.0
147.11682	56.1
149.09593	4.8
149.13261	24.1
150.13658	2.5
151.07532	3.0
151.11176	5.3
151.14819	8.4
153.09119	7.6
157.10117	4.8
159.11711	8.0
161.09595	4.0
161.13274	27.7
163.11250	3.3
163.14812	12.8
165.09091	7.8
165.12735	4.2
167.10703	10.0
171.11717	5.1
173.13307	8.1
175.11150	2.9
175.14847	14.4
177.12758	4.2
177.16408	11.7
179.10683	12.4
181.12227	4.9
185.13297	3.7
187.14854	9.3
189.12784	3.6
189.16396	80.8
190.16798	4.0
191.17943	29.6
193.12244	28.0
193.15906	3.8
199.14714	3.3
201.16428	5.9
203.17955	43.0
203.19666	4.2
205.19576	4.4
207.13812	10.3
207.17435	5.6
215.17967	4.4
217.19565	12.5
219.17448	4.1
221.18944	18.4
223.17001	4.7
229.19519	6.5
231.17418	12.8
231.21136	7.7
237.18526	4.6
245.22508	4.0
249.18504	45.2
253.11024	2.9
271.24237	3.7
277.21649	9.3
285.25800	5.2
287.23679	25.0
343.50974	2.8
345.27881	6.2
381.70761	2.6
405.35370	3.0
406.48657	2.6
423.36182	15.2
441.37296	62.6
442.37732	9.2
459.31967	5.9
459.38422	67.4
460.38754	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	459.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01871	4.0
55.05514	26.5
57.07079	11.1
59.05007	3.7
66.85599	3.2
67.05502	40.5
69.07072	42.1
69.09809	26.5
71.05006	4.6
71.08636	5.0
79.05501	27.5
81.07063	68.8
83.04984	4.4
83.08608	19.3
85.06559	12.3
91.05485	31.6
92.11428	3.0
93.07053	55.6
95.04982	9.4
95.08610	100.0
96.08957	5.5
97.06539	9.5
97.10176	14.2
98.23319	4.7
99.04465	8.2
99.08105	11.8
105.07032	50.8
106.07371	4.1
107.08600	98.2
108.08926	6.7
109.06530	11.2
109.10160	73.3
111.04439	3.2
111.08087	9.5
111.11723	4.5
113.09649	3.8
117.07032	5.8
119.08584	81.9
120.08925	3.6
121.06524	11.2
121.10143	82.0
122.10477	4.7
123.08086	14.8
123.11713	39.6
125.09647	6.1
129.07104	4.3
131.08591	24.1
133.10136	70.5
133.11061	5.9
134.10503	4.0
135.08054	28.2
135.11691	76.5
136.12071	5.0
137.09610	23.0
137.13295	14.7
140.99496	5.4
142.07756	4.0
143.08582	8.9
144.09372	3.1
145.10118	32.8
146.10539	3.2
147.08110	3.6
147.11684	51.6
148.12018	4.5
149.09660	11.9
149.13278	31.4
151.07481	4.1
151.11215	8.9
153.09132	4.3
154.98112	2.8
157.10133	12.9
158.10722	3.7
159.08078	6.9
159.11676	30.3
160.12042	4.5
161.09586	7.3
161.13278	31.9
163.11201	12.7
163.14893	18.2
165.09177	3.9
165.12766	6.2
167.08649	3.0
167.10712	3.2
169.10121	6.8
171.11694	8.9
173.09630	6.1
173.13269	23.5
174.13588	2.9
175.11203	7.5
175.14803	17.9
177.09143	4.7
177.12756	8.7
177.16470	10.3
179.14363	8.2
181.10109	3.5
181.12213	3.7
183.11752	4.7
185.13300	13.3
187.11224	5.5
187.14864	22.0
189.12767	8.2
189.16400	63.1
190.16676	4.7
191.10696	4.3
191.14363	7.9
191.17938	16.4
193.12227	3.9
193.15895	3.4
195.13850	7.4
197.13258	5.0
199.14832	9.5
201.16412	20.5
203.14337	4.8
203.17926	22.7
205.15915	13.6
207.17448	56.4
208.17836	4.0
211.14868	3.8
213.16508	5.7
215.14362	6.8
215.17975	17.8
217.15881	4.1
217.19592	7.8
219.17484	41.0
220.17905	3.9
225.16519	4.0
227.17897	6.2
228.18460	3.0
229.15817	4.0
229.19569	5.6
231.17438	4.2
233.15402	15.7
233.19046	6.9
235.20631	6.6
241.19562	3.5
251.16473	13.5
259.20691	3.6
263.20071	5.2
269.22614	4.8
297.17694	3.5
331.26288	9.3
345.27942	36.4
346.28207	5.9
357.27921	9.7
358.28488	5.0
369.31458	7.6
371.29367	8.5
381.27841	7.7
399.28625	5.9
405.31470	3.9
423.36780	18.4
441.38110	65.6
442.37778	9.1
459.29770	10.6
459.35278	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3854
Annotation	Myrrhanone A
Peak:m/z	Relative Intensity
50.39830	2.1
53.03955	6.1
55.01868	3.7
55.05511	28.6
57.07070	11.1
58.73695	2.6
59.89899	2.0
65.86084	2.0
66.53311	2.1
67.05507	31.3
68.05817	2.9
69.03426	3.5
69.07068	46.7
70.07403	3.6
71.04984	3.6
71.08618	2.2
71.31293	4.1
73.06580	2.3
79.05499	23.5
80.05853	2.6
81.07056	70.4
82.07406	11.7
83.04960	5.5
83.08620	21.8
85.06548	8.5
91.05483	31.5
92.05807	4.5
93.07045	65.5
94.07367	11.1
95.04966	7.8
95.08610	98.5
96.08946	10.3
97.06541	8.8
97.09230	2.1
97.10167	7.5
99.08087	3.5
101.05992	3.9
105.07031	47.2
105.07744	2.3
106.07382	8.5
107.04986	2.4
107.07847	5.2
107.08598	100.0
108.08924	8.4
109.06520	14.7
109.10156	59.1
109.49492	2.3
110.10493	7.1
111.08087	8.3
111.11716	13.6
117.07035	9.4
119.08578	66.7
120.08919	14.4
121.06506	6.7
121.09321	2.6
121.10146	68.5
121.11021	4.4
122.10487	10.0
123.08063	12.4
123.11706	38.1
124.12068	6.8
125.09654	5.5
127.07691	2.5
131.08568	16.5
133.07648	2.4
133.10121	52.8
133.11053	4.2
134.10452	11.6
135.08029	4.3
135.10843	2.3
135.11705	53.3
135.12688	4.4
136.08374	2.2
136.12047	8.1
137.09644	5.6
137.12383	2.9
137.13252	12.7
138.13577	2.6
139.11201	4.6
141.07042	2.4
142.07870	2.8
143.08543	8.4
144.09000	3.2
145.10144	30.3
146.10492	9.6
147.08134	3.3
147.10611	4.4
147.11694	44.4
148.12047	9.9
149.09651	9.1
149.13280	30.2
150.13623	4.3
151.11172	5.6
151.14861	6.2
153.09108	4.0
155.08554	3.3
156.09242	3.2
157.10190	13.6
159.11713	30.5
160.12099	10.2
161.09645	3.2
161.13293	23.0
162.13611	7.1
163.11246	6.4
163.14870	19.4
167.14320	8.7
171.11705	12.5
172.12001	4.0
173.09595	3.1
173.13332	15.2
174.13666	5.4
175.11214	6.4
175.14903	14.3
176.15141	3.6
177.12791	3.2
177.16432	13.9
178.13141	2.5
179.14333	4.6
184.12128	3.4
185.13248	11.5
186.13815	2.5
187.14812	14.2
188.11485	2.6
188.15186	4.2
189.12769	9.3
189.16411	34.2
190.13193	9.1
190.16759	7.3
191.14357	7.2
191.18065	14.8
192.18431	5.2
193.12262	2.3
193.15880	3.3
193.18636	2.4
195.17502	6.3
197.13281	4.3
199.14861	4.6
201.16440	33.3
202.16829	6.4
203.14270	2.7
203.17975	19.9
204.18314	5.1
205.12248	2.6
205.19542	5.2
207.17514	19.0
211.14842	3.7
213.16426	10.2
214.16896	2.6
215.14453	2.6
215.17978	8.0
216.18434	3.4
217.15900	4.9
217.19458	4.2
219.17439	31.0
220.17876	2.9
221.15347	2.6
225.16356	4.0
227.17921	6.1
229.19554	2.6
231.17427	3.7
233.15387	4.0
233.19087	7.5
235.16777	3.7
244.17827	2.5
247.16678	2.8
249.18526	7.3
251.20090	20.1
253.19540	3.5
255.21094	4.8
259.17136	3.2
261.18698	3.4
262.18912	4.2
273.22061	2.4
283.24222	5.2
353.31226	3.1
363.29596	4.2
379.30093	3.3
381.30774	20.3
389.67435	2.7
397.30875	3.7
399.32407	10.5
413.34213	3.6
423.31271	4.3
423.36752	39.5
424.36588	5.3
441.37830	73.8
442.37576	8.6
459.33231	27.2
459.38635	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	459.3836
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
50.95203	13.1
55.05516	18.6
57.07067	18.1
67.05503	26.8
69.07067	54.4
70.65791	12.8
70.91425	20.3
79.05465	16.1
81.07060	48.9
83.08599	22.2
93.07056	34.8
95.08636	73.9
105.07026	33.8
107.08613	41.7
109.10187	40.9
119.08573	28.8
121.10144	100.0
123.11713	48.7
133.10165	29.2
135.11722	28.6
147.11710	35.0
149.13254	19.1
161.13271	19.4
169.10281	15.5
173.17622	15.6
174.50693	14.3
246.18782	14.6
335.78714	14.1
423.36264	24.8
459.32394	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45025	1.0
50.48249	1.0
53.03949	9.5
55.01875	10.4
56.03555	0.9
57.03443	7.9
57.50272	1.0
60.04517	1.9
61.02929	5.9
68.99791	4.0
69.03431	31.5
69.45468	6.5
71.04987	4.9
71.59826	1.0
73.02925	9.3
79.05489	3.7
81.03421	31.6
83.04957	1.3
85.02907	86.4
86.03216	1.0
87.00827	34.3
91.03963	2.9
91.05476	5.9
95.04970	2.0
97.02895	33.1
98.22617	1.2
99.04471	15.2
103.03936	1.6
103.05447	3.3
105.01882	22.1
105.07066	6.1
107.04955	42.4
107.08656	1.8
108.04489	11.6
109.02886	30.8
111.04432	1.1
115.03925	1.8
115.05439	3.8
117.01846	5.2
117.07002	1.6
119.08589	1.3
121.06599	1.3
123.00768	1.2
126.05495	5.1
127.03918	51.7
128.04260	1.8
128.06223	1.3
129.01840	4.6
129.07027	1.6
131.08553	2.5
135.08046	15.4
137.06012	1.1
145.04959	23.0
145.07631	1.3
147.02853	3.6
154.06311	1.6
159.02905	18.2
163.07547	44.4
164.07903	1.5
165.09102	2.3
167.07060	14.2
177.03923	1.5
180.07857	2.6
181.04987	2.0
185.43991	1.2
187.07652	1.3
189.03864	2.1
189.07265	1.1
189.09059	1.2
193.08592	1.9
195.10178	100.0
196.10526	3.5
203.18047	1.1
205.08652	1.4
207.10205	2.3
212.05661	1.3
213.03944	2.6
230.06577	2.5
231.04955	9.0
248.07686	3.5
285.11383	1.5
303.12308	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28702	0.8
53.03948	8.4
55.01876	11.0
57.03445	7.3
60.04529	0.9
61.02930	6.1
62.14614	0.9
68.99798	3.6
69.03431	36.1
69.20368	4.1
71.05002	4.8
73.02907	7.1
79.05501	1.9
80.04993	1.0
81.03419	34.1
82.03765	0.9
83.01366	1.6
85.02907	87.3
86.03236	1.9
87.00297	2.0
87.00833	40.8
87.04459	0.9
91.03967	3.2
91.05496	1.3
97.02897	35.2
99.03824	1.7
99.04455	15.5
103.05463	7.1
105.01871	28.8
105.07045	2.9
107.04944	7.4
108.04475	9.5
109.02882	36.2
109.67852	0.9
115.03913	0.9
117.01884	4.5
118.87801	0.9
126.05525	7.3
127.03917	59.7
128.04256	2.0
129.01828	4.5
131.04953	1.5
132.40154	0.8
132.61526	0.9
133.06511	1.5
135.08058	6.8
139.03893	5.0
145.04958	27.5
147.02902	4.0
154.06250	35.4
159.02890	21.1
160.03120	0.9
161.73746	0.8
163.07547	28.0
164.07906	0.9
167.07031	1.5
177.03886	1.0
180.07741	1.4
189.04051	1.3
193.08527	0.8
195.10170	100.0
196.10478	4.3
207.10274	1.0
213.03954	2.8
230.06622	3.8
231.05009	14.1
248.07625	7.3
249.06143	1.4
266.08615	2.1
385.69077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	9.1
57.05817	1.6
62.00769	0.7
69.03439	1.2
69.96986	2.0
72.08161	100.0
73.08498	0.9
82.21420	0.7
85.02896	3.1
94.15356	0.6
97.02900	1.7
99.31731	0.5
118.08662	71.7
119.09010	0.8
127.03941	1.8
145.05019	1.6
297.07217	0.7
339.56622	0.8
339.74835	0.7
364.76242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01875	17.3
55.05506	5.8
57.03442	25.3
57.08258	1.6
59.04997	4.0
61.02930	19.7
65.03938	8.8
67.05486	5.8
68.99786	2.2
69.03433	62.6
69.07071	3.2
70.03754	2.2
70.52630	5.2
71.01354	7.8
71.04990	5.2
71.08634	4.0
72.08183	1.9
73.02921	99.4
74.03257	1.9
79.05505	20.7
81.03423	13.8
81.07069	10.0
83.04986	6.6
85.02911	100.0
85.06530	1.9
86.06069	3.1
87.00843	4.5
87.04453	4.9
91.03954	4.4
91.05475	21.3
93.03406	48.6
93.07040	14.6
95.04969	7.4
95.08611	6.1
96.04549	1.9
97.02895	72.0
99.04453	5.8
101.06036	2.0
103.03944	4.0
103.05446	3.0
105.04507	1.8
105.07039	15.8
107.04964	12.5
107.08577	9.1
109.02865	12.2
109.06570	3.7
109.10139	2.8
111.04441	6.1
113.90916	1.8
115.03932	32.7
115.05370	2.8
116.06227	2.4
116.10741	6.1
117.07022	5.8
118.73923	1.7
119.08591	6.8
120.77134	1.6
121.06551	11.2
121.10169	4.3
123.04449	2.6
123.08049	2.6
125.05925	2.0
127.03929	32.7
128.06226	4.5
129.05484	2.1
129.07059	4.4
130.07825	2.3
131.08517	4.4
131.52838	2.0
133.04976	34.9
133.06490	3.7
133.10153	2.7
135.04405	7.5
135.08057	6.0
137.09470	2.2
145.04958	36.7
145.06464	4.5
147.08054	5.6
149.05989	4.1
149.09619	96.0
150.07579	6.5
150.09952	3.8
154.42499	1.9
157.04984	2.1
157.10152	3.8
161.09619	4.4
163.06029	9.4
163.07430	3.7
163.11139	2.8
165.09117	6.0
167.07108	2.3
167.10634	1.8
175.07591	2.2
175.11180	2.7
178.96071	2.0
179.10637	2.5
191.10643	29.1
193.05130	2.5
195.10190	7.7
196.16934	2.8
199.05894	2.0
200.12802	4.1
203.10771	2.5
213.14622	6.0
214.18021	38.7
223.06010	6.5
233.11771	4.0
241.07051	5.6
241.14232	3.3
259.08200	7.5
271.06070	6.2
293.13635	2.2
362.18060	5.3
375.19907	17.7
417.20959	44.8
417.26260	3.8
433.25089	1.9
461.19998	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01863	3.4
55.05505	1.1
57.03440	9.9
59.05000	70.7
60.05349	0.9
61.01139	1.1
61.02929	7.0
67.05517	0.9
69.03078	1.4
69.03430	16.7
69.07063	1.7
70.06593	2.9
71.01346	3.0
71.04497	1.4
71.04993	0.9
72.08160	6.4
72.54111	1.0
73.02917	31.5
73.06555	99.4
74.06079	2.0
74.06887	1.8
81.03410	3.5
84.04494	2.1
84.08135	2.0
85.02905	38.1
86.09208	1.7
86.09707	18.9
87.04468	2.4
91.03984	0.8
91.05467	1.1
95.04980	1.0
97.02895	23.1
99.04447	2.2
99.08085	1.4
103.03935	2.0
109.02866	3.4
111.05486	1.0
112.03938	1.0
115.03932	10.1
117.09119	15.7
127.03910	10.5
129.10231	1.5
131.10683	13.1
133.04959	12.1
133.06067	2.6
136.06158	2.1
137.05968	1.3
143.11768	1.2
145.04967	11.2
147.04411	1.8
148.32140	0.8
148.33551	0.8
149.11728	100.0
150.12070	2.1
157.04893	0.8
163.06033	3.7
174.83678	1.1
187.14433	3.7
191.58148	0.9
214.11874	1.0
215.13918	3.3
223.06041	1.8
241.07150	2.1
243.13603	0.9
246.14368	2.1
259.08075	3.7
460.22467	4.1
461.13409	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	460.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01863	3.4
55.05505	1.1
57.03440	9.9
59.05000	70.7
60.05349	0.9
61.01139	1.1
61.02929	7.0
67.05517	0.9
69.03078	1.4
69.03430	16.7
69.07063	1.7
70.06593	2.9
71.01346	3.0
71.04497	1.4
71.04993	0.9
72.08160	6.4
72.54111	1.0
73.02917	31.5
73.06555	99.4
74.06079	2.0
74.06887	1.8
81.03410	3.5
84.04494	2.1
84.08135	2.0
85.02905	38.1
86.09208	1.7
86.09707	18.9
87.04468	2.4
91.03984	0.8
91.05467	1.1
95.04980	1.0
97.02895	23.1
99.04447	2.2
99.08085	1.4
103.03935	2.0
109.02866	3.4
111.05486	1.0
112.03938	1.0
115.03932	10.1
117.09119	15.7
127.03910	10.5
129.10231	1.5
131.10683	13.1
133.04959	12.1
133.06067	2.6
136.06158	2.1
137.05968	1.3
143.11768	1.2
145.04967	11.2
147.04411	1.8
148.32140	0.8
148.33551	0.8
149.11728	100.0
150.12070	2.1
157.04893	0.8
163.06033	3.7
174.83678	1.1
187.14433	3.7
191.58148	0.9
214.11874	1.0
215.13918	3.3
223.06041	1.8
241.07150	2.1
243.13603	0.9
246.14368	2.1
259.08075	3.7
460.22467	4.1
461.13409	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	460.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
54.80884	1.0
55.01865	2.8
55.05516	2.4
56.05041	1.8
57.03434	4.6
57.07070	12.8
60.04528	1.4
61.02930	8.5
63.04489	16.9
63.34839	0.9
63.43208	0.9
69.03426	18.7
69.07062	2.0
69.24999	1.2
69.25327	7.5
70.06590	2.5
71.04983	2.3
72.08163	7.1
73.02910	3.6
74.06073	1.1
79.05472	1.2
81.03408	8.3
81.07037	2.5
83.06130	1.3
84.04498	3.2
84.08142	2.6
85.02906	100.0
86.03253	1.4
86.09700	18.1
87.04483	3.2
91.03949	6.0
91.05479	4.1
93.07073	1.7
95.04972	3.3
97.02897	28.8
98.23355	1.9
99.04447	4.7
105.07047	2.4
107.08644	1.3
107.18009	1.1
108.77210	1.0
109.02879	9.9
115.03951	1.0
119.04958	6.0
119.10693	80.0
120.11069	1.4
121.10159	1.4
127.03075	0.9
127.03915	26.5
129.10245	1.7
130.05037	1.5
134.04576	1.2
145.04958	44.2
147.04417	32.9
147.62361	1.2
159.11639	1.2
161.05881	2.7
163.06006	19.3
163.07326	1.4
173.12868	2.4
182.04886	6.6
183.05251	3.1
187.11139	1.6
187.14473	1.1
201.02025	1.0
201.12415	2.1
208.02850	7.8
209.03146	5.9
209.11819	1.5
215.14015	2.0
237.11261	1.1
263.09177	1.2
281.16183	1.3
289.05362	1.0
328.08899	4.5
460.18719	3.9
460.25800	1.8
461.14096	1.8
461.19559	13.9
463.65811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.6
57.07065	10.1
67.05499	19.7
69.07071	32.8
69.16766	39.8
79.05486	13.7
81.07054	48.5
83.08611	11.9
91.05447	7.6
93.07044	32.5
95.04990	7.6
95.08614	72.2
105.07040	26.6
107.08595	57.4
109.10157	51.1
111.08086	10.2
111.11731	6.2
119.08560	34.0
121.10152	100.0
122.10500	9.8
123.08080	14.0
123.11713	51.5
128.73293	5.2
133.10129	38.6
135.11717	35.4
137.13280	31.0
145.10120	27.5
146.17644	5.2
147.11662	26.9
149.13295	18.2
151.11330	5.1
151.14836	10.4
157.10156	10.0
159.11685	20.9
161.13245	15.7
163.11162	7.0
163.14818	12.3
165.12682	7.0
167.10741	8.4
170.50221	5.1
171.11713	13.0
173.13274	16.3
175.14838	9.1
177.16475	6.5
181.12178	19.0
185.13275	13.4
187.14845	7.7
189.16431	7.7
201.16380	16.6
203.17944	14.6
215.17889	11.9
221.15375	12.3
223.16884	11.2
227.17960	10.5
229.19510	12.0
233.19005	14.4
241.19554	8.1
243.21181	14.8
247.49657	6.0
269.22574	36.1
277.21558	6.6
287.20078	17.5
303.23178	11.6
305.21088	23.0
407.32898	9.3
425.34155	92.4
426.34528	9.3
443.35245	28.7
445.20502	8.9
460.22659	39.9
461.19849	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	460.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73068	4.7
55.05512	17.0
57.07084	6.5
58.39368	4.4
67.05507	28.0
69.07069	16.5
70.36513	14.7
71.05010	7.7
79.05499	16.2
79.05923	5.1
81.07054	53.8
83.04998	7.8
83.08610	10.8
85.06550	100.0
91.05497	18.4
93.07033	34.8
95.08609	67.5
97.06546	9.7
99.08076	5.3
105.07037	48.1
107.08603	53.6
107.55761	5.2
109.10159	55.2
111.08078	9.2
117.07036	6.9
119.08588	60.3
121.10153	47.5
123.08147	6.4
123.11720	20.8
125.09705	8.9
131.08565	16.3
133.10121	39.1
135.11708	25.3
145.10126	50.9
147.11664	30.0
149.13275	18.7
157.10124	15.6
159.11690	42.4
161.13263	31.1
163.14804	13.4
165.12810	7.1
167.59254	5.4
167.86290	4.5
169.10152	5.0
171.11708	10.3
173.13246	32.4
175.14867	20.8
179.14391	5.3
185.13268	14.0
187.14793	33.5
189.16423	13.0
191.14275	5.9
191.21927	5.9
193.15935	24.1
199.14865	14.3
201.16389	36.5
203.14319	7.5
205.15907	28.6
207.17509	6.9
213.16350	8.0
215.17989	20.0
217.15833	6.7
219.17476	19.8
225.39558	4.7
233.19061	13.9
239.17958	6.1
299.23553	6.0
318.18539	5.5
389.32056	9.2
407.33075	35.0
425.34152	40.7
443.35324	20.6
446.99832	5.5
460.37939	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.6
62.67413	0.4
69.03445	0.4
69.59385	0.9
69.59800	1.0
77.68568	0.3
80.26594	0.4
84.08125	1.1
84.29141	0.3
85.02930	0.5
86.09711	0.8
93.46397	0.3
97.02893	0.3
98.97578	9.1
98.98187	0.6
105.30388	0.3
110.97589	1.5
116.98627	3.3
119.01939	0.4
128.98627	1.2
129.10231	0.7
130.93282	2.1
134.99695	0.8
135.04488	0.6
137.02351	2.6
137.06065	0.6
143.01941	0.7
145.02835	0.5
146.99644	0.6
147.04408	0.6
154.93286	10.3
158.99657	2.9
161.02939	0.6
163.03888	2.1
172.94348	9.5
177.00693	2.6
190.95393	4.0
196.94328	17.3
198.95944	0.9
200.97684	0.4
205.03909	0.4
208.94368	1.4
208.96150	0.8
214.95404	70.7
215.33922	0.4
215.95738	0.9
218.94901	0.6
219.01790	1.4
226.95409	6.3
228.97050	0.8
232.96457	100.0
233.96788	1.6
237.02866	0.9
240.97006	1.5
244.96468	7.6
246.04132	0.9
246.97960	1.9
250.97514	16.7
255.98076	1.2
256.96466	30.6
257.96741	0.6
258.98059	2.5
260.95795	0.6
262.97473	1.0
264.98962	0.4
268.96439	6.2
274.97507	40.8
275.97736	0.5
276.98959	0.7
286.97525	17.9
287.97736	0.5
292.98541	3.3
296.36145	0.4
297.99191	1.0
298.97644	1.6
299.07629	0.6
303.07645	0.6
304.98590	6.5
316.98575	11.4
321.08618	0.6
334.99564	7.7
350.06812	0.8
353.00699	0.4
359.03244	0.8
383.09891	0.5
401.04352	15.7
402.04977	0.8
419.05374	24.5
420.05591	1.0
437.06332	1.2
442.06543	0.7
461.00357	0.6
461.06479	9.4
461.12540	0.7
479.07645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1785
Annotation	Eruberin A
Peak:m/z	Relative Intensity
59.64344	1.7
69.62845	7.0
74.15621	1.5
81.07057	1.8
95.08601	3.2
100.96089	1.9
105.07053	1.7
137.05980	3.4
137.09637	1.8
151.07613	2.9
165.09163	4.1
167.07060	4.2
168.01605	1.7
177.09099	2.9
178.97400	1.6
179.06738	7.9
181.04977	2.3
196.41086	1.8
253.64125	1.6
261.86938	1.5
271.20264	2.0
324.86417	1.7
334.42230	2.0
431.30197	1.8
461.17853	100.0
462.17999	7.9
474.71460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.7
55.01877	11.6
55.05515	18.6
56.42618	0.9
57.03442	8.3
57.07079	3.1
59.04996	2.1
61.02940	7.8
65.03960	1.0
67.05512	6.8
68.99796	6.1
69.03437	50.1
69.05154	8.1
69.05561	2.3
69.07075	35.0
71.01367	1.3
71.05009	9.0
73.02929	8.5
79.05501	5.3
81.03425	40.9
81.07067	21.9
83.01353	2.1
83.04990	13.5
83.08608	6.1
85.02912	100.0
85.06547	12.6
86.03234	1.5
87.00839	33.9
87.04463	2.1
89.56276	0.9
91.03955	1.4
91.05499	4.0
93.07053	10.0
95.04966	2.9
95.08614	29.7
97.02901	26.3
97.06534	6.0
97.10171	10.0
98.23344	2.1
99.04458	16.6
99.05087	1.3
99.08102	20.2
101.02396	1.3
103.03936	2.7
104.03705	1.0
105.01873	24.8
105.07055	3.1
107.08604	18.9
109.02891	39.9
109.06533	2.4
109.10164	14.8
110.03216	1.3
111.04495	1.2
111.08094	2.6
111.11729	11.7
112.06229	1.0
113.09653	9.7
114.09006	1.0
115.03944	1.5
115.06747	0.9
117.01886	4.3
119.08610	2.7
121.10151	21.6
123.02965	1.1
123.04449	1.4
123.08052	1.0
123.11724	8.8
125.09631	7.1
127.03924	78.2
128.04283	1.2
129.01865	7.1
129.12798	1.1
133.10188	3.9
135.11708	10.5
137.05981	1.1
137.13263	15.6
139.11163	6.8
141.01903	1.3
145.04961	23.0
145.10161	1.6
147.02876	5.2
147.11621	1.4
149.13295	4.4
151.14842	4.6
153.12753	14.7
156.27063	1.1
159.02921	17.6
161.13388	1.3
171.02895	1.5
175.14915	1.5
177.04005	1.5
177.16400	54.6
178.16846	1.5
179.74873	1.0
189.03896	4.6
195.17464	62.8
196.17769	2.6
213.03976	3.0
213.18504	41.5
214.18967	1.4
219.17441	1.0
231.05000	15.1
237.18481	1.5
461.23712	5.6
461.30930	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	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01871	13.8
55.05518	22.4
57.03439	10.6
57.07071	5.7
59.04994	2.1
60.04457	1.4
61.02930	8.2
66.50632	1.3
67.05504	8.8
67.89097	1.2
68.99796	7.0
69.03433	61.6
69.07070	43.5
69.44400	9.4
71.01344	1.9
71.05001	12.2
73.02929	12.6
79.05493	8.4
81.03420	55.0
81.07062	25.2
83.01357	1.5
83.04966	10.6
83.08617	8.3
85.02908	100.0
85.06547	16.2
87.00830	38.3
87.04470	2.4
91.03965	2.0
91.05472	4.5
93.07041	12.8
95.04961	2.2
95.08607	39.2
96.08884	1.2
97.02894	34.5
97.06516	7.5
97.10168	11.1
98.22649	2.4
99.04450	18.5
99.08096	25.3
101.02412	1.7
105.01877	25.2
105.07024	6.9
107.08585	19.6
109.02882	56.0
109.10149	16.2
111.08092	5.1
111.11707	10.6
113.09636	8.8
115.03943	3.1
117.01839	5.7
119.08607	2.4
121.06519	1.8
121.10155	25.3
123.11713	8.6
125.09637	9.2
127.03920	86.1
128.04306	2.3
129.01805	7.7
133.10129	13.8
135.11700	14.9
137.05875	1.5
137.13255	16.0
139.07558	1.4
139.11214	7.5
145.04961	25.2
147.02878	6.2
147.20547	1.4
149.13257	6.3
151.14830	4.4
153.12741	18.4
159.02895	31.7
175.14813	1.7
177.16389	62.6
178.16702	2.4
189.03928	3.3
195.17444	55.7
196.17758	1.8
213.03963	3.8
213.18504	40.2
214.18785	1.7
231.04962	17.8
248.29520	1.4
300.94293	1.5
303.19434	1.9
357.65826	1.4
364.10278	1.4
379.73349	1.5
461.23831	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	461.2689
Annotation	Vielanin B
Peak:m/z	Relative Intensity
53.03949	1.0
55.05518	4.3
57.07106	0.8
57.55099	0.7
57.87181	0.8
58.48781	0.7
59.04976	0.8
65.03928	1.3
67.05510	6.6
69.07069	3.9
69.20879	5.7
71.04997	1.3
79.05503	3.1
81.07060	6.4
83.04980	7.9
83.08614	1.0
85.06549	0.9
91.05471	6.2
93.07051	10.2
95.04972	2.3
95.08607	12.5
97.06538	1.7
97.10200	0.8
98.22665	1.7
99.04449	1.2
105.07049	7.4
107.04970	1.0
107.08601	9.7
109.06519	1.8
109.10175	4.4
109.87734	0.6
111.04447	3.7
111.08104	3.2
113.06062	0.9
115.05428	1.3
117.07060	2.4
119.08588	12.1
121.06531	2.2
121.10153	5.3
123.08098	2.7
123.11752	3.0
123.63627	0.8
125.31385	0.8
128.06258	1.5
129.07028	4.0
131.08618	5.1
133.06520	0.9
133.10129	7.8
134.10481	0.9
135.08089	2.5
135.11699	2.7
137.13374	0.8
139.07547	2.1
141.07022	1.4
142.07809	1.5
143.08572	3.9
145.06531	1.2
145.10127	4.3
147.08086	2.7
147.11725	3.2
149.05968	0.9
149.09654	1.3
149.13271	2.2
151.07634	0.8
151.11230	0.9
153.06982	2.0
155.08568	39.1
156.09203	3.0
157.06505	1.0
157.10136	5.4
159.08047	1.4
159.11740	3.2
160.08940	0.9
161.09625	1.2
161.13281	2.1
163.11127	0.7
163.14809	1.3
165.07014	1.8
167.08585	6.1
167.10806	0.9
169.10149	4.1
170.10887	2.0
171.11696	5.1
172.12308	0.8
173.09717	1.7
173.13303	2.3
175.11223	3.7
175.14857	2.2
177.12730	1.1
179.08582	4.9
179.10548	1.0
180.09344	2.0
181.10133	3.2
183.08110	1.4
183.11757	3.1
185.09529	0.8
185.13292	2.3
187.11182	1.3
187.14824	1.5
189.12773	2.4
189.16365	4.0
192.09343	2.1
193.10159	3.8
194.10925	2.9
195.08086	7.2
195.09586	0.7
195.10150	0.7
195.11681	4.8
195.13347	0.7
197.09671	1.0
197.13316	2.5
199.11223	3.3
199.14908	0.9
201.12877	1.0
201.16434	1.3
205.10239	1.9
206.10883	2.3
207.11746	9.3
208.12363	1.5
209.09764	1.2
209.13275	11.4
211.11246	0.9
211.14813	1.6
213.16382	1.0
215.17920	1.0
217.10272	1.6
217.12225	1.4
218.10971	1.5
219.11705	4.1
220.12469	1.3
221.13315	5.5
222.14148	1.3
223.11156	1.0
223.14859	1.1
223.17007	0.7
229.10170	0.9
231.11726	2.2
232.12390	1.0
233.13268	3.3
235.14845	1.8
237.16397	1.3
239.14304	1.3
243.13712	0.9
245.09613	0.8
245.13280	1.8
246.10457	1.3
246.14156	1.1
247.11226	1.4
247.14906	3.0
249.12779	1.6
249.16377	1.8
252.11562	1.3
253.12308	1.5
255.13824	18.6
256.14096	1.0
259.14932	1.4
261.16388	1.4
263.14191	0.9
263.17673	0.8
267.13882	7.5
269.15417	1.2
273.12714	1.2
273.16260	0.9
274.16943	0.8
275.17856	1.8
276.46136	0.9
277.15976	0.8
277.19452	0.9
295.17099	0.9
301.15958	1.2
301.19339	1.7
302.16971	1.0
303.17615	1.2
303.21045	0.9
305.18921	0.8
319.17010	1.8
321.18338	1.8
329.18970	1.3
331.20587	1.8
333.18631	1.7
347.19986	2.7
362.22449	2.2
365.28546	1.1
377.24780	1.4
378.25925	0.9
415.26508	3.9
425.24844	3.4
425.29880	1.0
443.25818	11.3
443.31525	3.6
444.26047	1.2
461.26880	100.0
462.27145	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	461.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	41.3
57.07088	15.2
64.95625	9.2
66.05427	8.6
67.05501	14.4
69.07062	28.0
69.17416	72.0
69.23339	9.1
71.08646	14.7
75.87833	8.2
79.05511	9.0
81.07040	23.5
83.08630	100.0
91.05455	15.9
93.07054	15.3
95.08610	37.3
97.10181	19.3
98.22636	18.8
100.78400	9.0
105.07020	14.8
107.08604	19.4
109.10188	10.2
119.08627	10.5
123.11654	8.1
131.16647	9.0
133.10123	10.4
133.38155	9.0
137.06052	10.9
139.09975	9.1
151.39000	7.9
167.63454	8.6
173.13344	8.8
175.81442	9.2
245.65677	8.8
409.34750	87.3
410.35291	16.0
427.35587	13.7
461.30273	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	47.5
57.07071	24.9
57.21685	8.6
67.05494	29.7
67.39766	10.0
69.04064	91.4
69.07056	34.9
71.08644	11.9
71.15653	7.6
71.93582	9.6
79.05476	15.3
81.07052	31.9
83.08627	100.0
91.05481	20.3
93.07055	20.1
95.08607	30.7
97.10171	10.9
98.23386	21.7
105.07023	26.0
109.10168	22.9
133.10146	22.7
157.10161	11.6
163.11267	10.3
181.47252	11.0
245.08881	9.4
409.34784	90.7
443.35471	12.5
461.20285	44.1
461.30505	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	461.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	39.3
57.07080	56.3
57.07308	8.9
66.14925	8.3
67.05500	14.0
69.07064	43.1
71.08637	58.1
74.85519	10.6
79.05521	18.2
81.07057	85.3
83.05020	12.1
83.08630	47.1
85.10197	21.5
85.87267	8.6
91.05490	11.0
93.07056	28.3
95.08627	57.4
97.10168	31.8
99.04440	20.5
105.07080	10.3
107.08568	17.3
109.06498	18.7
109.10163	32.6
111.11725	22.2
121.10143	19.1
123.11735	15.0
125.06044	11.0
127.03890	32.3
131.08578	13.9
137.06004	100.0
145.10139	17.8
151.07581	20.4
159.11752	19.6
173.09622	65.4
175.11150	11.4
187.11194	39.3
205.12265	20.2
245.15048	8.8
277.28885	15.4
383.33054	35.8
397.34686	23.1
401.34149	40.6
425.34027	11.4
443.34940	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	461.3627
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03948	2.4
54.79067	1.3
55.01866	2.1
55.05518	21.4
56.22378	1.3
57.07082	9.6
59.03885	1.3
59.05016	2.3
65.03927	1.8
67.05511	25.6
69.03440	5.4
69.06725	2.5
69.07076	34.5
69.11720	11.9
71.04999	3.9
71.08634	3.4
77.03943	1.6
79.05505	13.2
81.07059	51.4
82.07418	2.0
82.39889	1.4
83.04992	4.3
83.08625	20.5
85.06545	4.0
91.05477	11.4
93.07051	34.6
95.04980	3.6
95.08611	66.4
96.08929	1.7
97.06536	7.7
97.10180	9.0
99.04498	1.9
99.08144	1.5
101.06012	1.8
105.04549	1.4
105.07043	22.2
107.04969	1.7
107.08598	54.0
108.08952	2.1
109.06527	11.4
109.10160	56.3
111.08084	6.6
111.11729	6.6
115.07614	2.2
117.07034	3.6
119.08584	34.5
121.06522	4.8
121.10150	85.6
122.10461	3.9
123.08102	11.1
123.11715	63.1
124.12052	2.5
125.09647	4.3
131.08569	10.6
133.10132	25.5
135.08058	8.4
135.11705	30.6
137.09616	8.1
137.13261	22.5
139.07555	2.7
139.11169	3.0
141.09135	2.2
143.08588	3.0
143.10710	1.7
144.09297	2.8
145.10126	20.4
145.11142	2.4
147.11690	18.1
148.12054	1.7
149.09636	10.4
149.13255	15.8
151.11230	8.6
151.14810	10.8
153.09148	8.9
157.10130	5.2
158.10887	1.5
159.08083	1.9
159.11688	20.5
161.09613	5.5
161.13269	14.4
163.11182	12.2
163.14818	10.9
165.09067	2.4
165.12785	6.1
165.16400	2.0
167.10747	9.0
169.12236	2.2
171.11711	6.1
173.13286	12.6
175.11200	3.1
175.14824	13.0
177.12794	6.4
177.16397	29.1
179.14331	4.8
181.12228	20.3
181.15987	1.5
182.15489	1.7
183.13806	4.1
185.13261	3.5
187.11201	1.9
187.14824	16.2
189.12746	1.7
189.16379	11.2
191.14326	5.5
191.17961	5.9
193.15891	4.6
195.13835	4.1
197.13315	2.0
199.14850	3.4
201.16402	16.4
203.14281	4.2
203.17984	4.4
205.12407	1.7
205.15862	6.7
205.19719	2.1
207.13866	1.9
207.17430	18.4
209.13441	1.8
209.15405	5.1
213.16522	2.1
215.18005	6.1
217.15869	3.2
217.19551	2.3
219.17451	18.6
219.21060	2.5
221.15454	5.2
221.18900	1.7
223.16930	5.4
227.18010	2.2
229.19522	3.4
231.17447	3.7
233.15410	2.1
233.19080	5.2
235.16969	3.0
237.18504	15.3
241.19589	2.3
243.21085	4.5
245.22679	2.0
247.20662	3.9
249.18495	3.5
251.20244	2.6
259.20660	1.9
261.22192	3.8
269.22647	2.2
271.20773	2.0
275.23816	3.7
279.23120	1.7
287.23685	6.7
294.27716	1.4
299.23596	1.5
315.23242	1.8
347.26782	1.7
351.27023	1.9
365.28482	3.5
383.29453	4.5
389.32257	4.1
407.28043	2.6
407.33115	30.0
425.34192	100.0
426.34476	12.7
443.35388	43.5
444.35666	3.2
461.36884	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	461.3629
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03917	5.2
55.05516	27.8
56.09690	4.2
56.51743	5.4
57.07072	12.8
65.75013	3.9
67.05508	38.6
69.07072	56.0
69.24319	28.6
71.04995	8.9
71.08646	7.5
79.05507	19.7
81.07057	79.7
83.04957	5.4
83.08627	23.6
85.06556	16.0
88.63852	4.0
91.05477	15.5
93.07037	45.2
95.05003	8.3
95.08607	100.0
95.09161	7.4
97.06571	13.4
97.10195	9.6
98.22482	5.9
99.08102	6.4
105.07040	30.1
107.08596	84.6
108.08905	5.3
108.55480	4.3
109.06521	10.4
109.10159	85.5
111.08100	6.3
111.11732	13.1
119.08589	47.7
121.06544	6.0
121.10144	73.3
123.08121	7.6
123.11718	58.3
131.08606	13.7
133.10144	33.8
135.08054	8.1
135.11688	47.9
137.09651	12.0
137.13252	25.5
143.08636	8.3
145.10150	20.6
147.11687	22.1
149.09619	7.8
149.13284	15.7
151.14827	31.1
153.09071	5.7
153.12737	22.0
157.10121	8.2
159.11739	18.1
161.13306	20.7
163.14847	42.2
165.09166	5.2
165.16528	6.7
167.10814	7.0
171.11835	4.8
173.13287	13.8
175.14842	16.4
177.16428	24.8
178.16670	4.7
179.14403	4.5
185.13429	5.6
187.14830	25.8
189.16429	12.7
191.14235	5.1
191.17973	11.4
195.13936	5.9
201.16475	10.6
203.14374	6.4
203.17896	7.3
205.15881	52.9
205.19669	8.8
207.17487	17.0
213.16585	5.1
215.18025	10.1
217.19446	6.2
219.17473	18.8
223.16928	77.5
224.17163	5.3
233.18655	5.1
237.18608	9.3
243.21127	5.0
407.33173	7.4
415.35754	6.0
416.35876	4.8
425.34122	37.4
427.37122	5.0
443.35306	70.2
461.30502	6.7
461.36771	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	462.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93790	0.2
51.29627	0.2
52.61034	0.2
57.03428	0.3
59.04990	0.2
59.90774	0.2
61.02923	0.6
62.88147	0.2
65.03927	0.7
69.03418	0.9
70.06597	0.5
71.04972	0.3
71.30800	0.3
71.31178	0.2
72.08154	0.6
73.04755	0.8
79.05521	0.2
81.03403	0.4
84.08130	0.4
85.02901	2.1
86.09706	0.7
89.03919	0.4
91.05453	6.2
92.05811	0.2
97.02906	0.5
102.17934	0.2
109.02844	0.3
117.03421	1.0
117.37475	0.2
119.04945	18.9
120.05260	0.3
127.03904	0.6
127.21230	0.2
135.04352	0.2
137.09488	0.2
141.84677	0.2
145.02850	3.8
145.04956	0.5
147.04411	100.0
148.04747	3.1
149.05975	0.3
167.05544	0.5
177.05467	9.0
178.05811	0.4
205.04712	1.5
266.07690	0.3
310.88657	0.2
359.02930	1.0
429.08969	0.3
453.22803	0.2
462.15323	0.7
463.15878	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	462.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01857	0.5
55.05513	0.5
56.05021	0.4
57.03419	0.8
60.04527	0.4
61.02909	1.3
69.03434	2.7
69.07063	0.6
69.35504	1.5
69.35923	1.0
70.06593	1.2
71.04990	0.5
72.08141	2.1
73.02898	0.7
73.04753	1.5
74.06082	0.6
81.03403	1.4
84.04509	1.1
84.08147	1.0
85.02905	8.1
86.09696	2.1
87.10017	0.6
89.03915	4.9
91.05877	3.1
95.04951	0.6
97.02898	1.7
97.33707	0.4
98.22626	0.7
99.04488	0.5
103.05464	0.4
104.05257	0.4
106.04157	0.4
107.04940	1.7
109.02898	1.2
109.06530	0.5
109.61603	0.4
110.06033	0.4
113.90098	0.4
116.07110	0.4
117.03382	15.5
119.04928	2.8
127.03936	1.3
129.05475	1.0
129.10237	0.4
131.04865	0.4
134.03625	1.3
135.04437	1.0
138.05469	0.4
139.07637	0.5
141.13826	0.4
145.02850	42.0
145.04900	1.8
146.03166	1.2
147.04408	14.2
148.04776	0.6
149.05978	5.5
151.24660	0.4
158.06122	0.5
159.07996	0.5
161.05930	0.5
162.03165	0.5
163.03809	0.6
167.05536	1.2
167.06941	0.7
177.05466	100.0
178.05777	3.8
186.05493	0.5
187.07558	0.5
194.24657	0.4
225.04276	0.5
235.09654	0.5
247.13297	0.7
265.14337	1.0
283.08005	0.7
285.11859	0.4
342.99786	0.6
359.02701	2.7
360.03058	0.8
429.08813	1.0
462.15329	0.7
463.17868	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	462.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13329	0.3
53.03939	0.4
53.84746	0.3
55.05492	0.4
57.03426	0.4
59.05007	0.4
59.65129	0.3
62.85297	0.3
65.03937	0.7
67.05509	0.4
69.03427	1.0
69.61877	1.6
70.06597	0.6
70.34694	0.3
72.08153	0.8
73.04752	1.0
73.06559	0.5
78.27502	0.3
78.76289	0.3
84.08179	0.7
85.02903	3.1
86.09710	1.7
87.10050	0.4
89.03908	0.4
91.05447	6.6
93.07069	0.4
97.02895	0.9
98.23335	0.4
100.97054	0.3
117.03418	1.5
119.04950	17.6
120.05338	0.5
124.07651	0.4
125.71395	0.3
127.03916	0.4
138.09198	0.3
144.06572	0.4
145.02844	4.4
145.04953	0.6
147.04414	100.0
148.04758	4.2
149.06012	0.7
157.45370	0.3
166.08522	0.3
167.05553	0.9
177.05473	11.3
177.07014	0.5
182.96144	0.3
205.04733	1.8
238.10741	0.4
264.23535	0.4
282.24438	0.4
359.02899	1.7
378.86731	0.4
383.21930	0.4
429.08990	0.5
462.15445	0.6
463.15836	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
58.47005	1.4
66.67180	1.5
67.05495	1.7
69.03426	9.4
70.21841	4.4
72.66004	1.3
79.05496	1.9
81.03407	5.4
81.07073	2.2
85.02912	13.2
86.09727	3.7
87.00845	5.9
91.05494	4.6
93.07036	5.3
95.04947	2.3
95.08592	1.7
97.02911	4.5
99.04457	2.4
105.01868	3.6
105.07015	6.3
107.08583	12.3
109.02853	3.6
109.06537	1.7
121.06483	3.5
123.11725	1.9
127.03927	9.0
133.10159	11.9
135.11652	12.9
136.07455	1.6
137.05957	2.1
150.09113	7.4
161.09628	7.2
179.10680	26.2
197.11732	100.0
198.12190	3.6
211.76056	1.6
231.05031	1.9
243.51572	1.8
360.51935	1.7
478.45184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60522	5.4
53.03946	11.1
56.81551	6.5
61.93458	5.8
64.56462	4.6
65.03953	6.7
67.05505	6.2
69.03419	19.8
70.66192	4.7
71.04981	14.9
71.31094	7.0
71.31465	5.3
73.30212	5.4
79.05489	11.8
81.03416	11.2
81.07043	12.3
83.04977	9.5
84.04513	7.3
85.02909	32.4
85.19272	7.1
85.29610	5.6
86.09716	6.2
87.00849	6.9
88.63673	5.7
91.05408	11.9
93.07035	22.0
95.04968	12.6
95.08601	8.8
97.02892	10.7
99.04414	9.9
105.07028	22.9
107.08582	20.2
109.02861	9.9
109.06562	6.5
111.04478	8.6
119.08574	32.6
121.06473	12.3
121.10171	13.6
123.08092	7.3
127.03883	20.5
131.04959	5.5
131.08582	14.7
133.10150	15.9
135.08032	8.7
135.11725	8.1
137.05989	30.8
145.04984	9.7
145.10112	18.4
147.08015	10.6
149.09612	20.4
159.08058	11.3
159.11722	11.4
161.09616	18.5
165.09138	8.0
167.10704	6.0
175.07579	16.0
175.11176	7.5
179.10686	16.8
187.11171	11.3
193.08557	7.8
197.11766	49.6
199.11198	25.6
201.12672	7.6
203.10699	7.2
217.12215	25.0
229.12242	19.4
235.13377	9.2
247.13307	81.3
265.14380	100.0
266.14667	9.0
279.51389	7.0
286.90042	5.9
310.67166	5.7
359.02655	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	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.2
56.05013	10.4
67.05535	6.8
69.03423	35.7
69.07063	12.0
70.06587	34.3
70.38194	7.2
72.08165	60.6
73.04750	48.7
73.08488	8.7
79.05497	7.5
81.03417	34.3
84.04509	26.8
84.08151	26.5
85.02895	13.7
86.09703	56.7
87.10018	8.9
91.05864	80.3
95.04976	9.8
97.02892	10.2
99.04443	20.6
102.05539	17.1
105.07030	18.4
107.04961	12.6
119.04934	29.8
119.08580	10.9
121.15027	8.0
129.05527	36.4
129.10245	17.5
131.08566	9.7
135.08072	10.2
136.07599	9.8
145.02866	7.9
147.04391	100.0
149.04530	10.4
159.07996	14.5
161.06021	8.4
161.09576	9.0
167.05551	44.5
167.07047	26.8
175.07513	10.2
177.05463	21.0
187.07626	11.6
187.11063	10.1
201.08884	9.5
201.12782	8.7
205.08560	7.6
216.14128	7.8
219.10033	9.9
225.04300	15.1
235.09625	23.3
246.90323	7.4
247.13351	24.1
265.10764	16.1
265.14328	59.6
283.11890	9.9
300.93481	9.0
341.01923	10.4
342.99484	15.1
359.02884	67.2
429.08740	31.4
462.16019	34.6
463.17474	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	462.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.0
57.03441	4.2
57.07089	4.9
59.04998	1.5
60.93936	1.7
67.05509	11.9
69.03443	4.0
69.07074	13.4
70.54675	2.0
70.55024	4.4
71.04981	9.5
72.08150	2.2
74.65337	1.7
79.05492	13.2
81.07066	26.1
83.04977	3.9
83.08633	6.2
83.34539	1.5
85.06546	5.1
91.05432	11.3
93.07053	30.6
95.05003	3.1
95.08607	37.7
97.06532	18.5
97.10191	2.7
99.04459	9.2
99.08115	16.9
105.07040	21.1
107.07876	2.2
107.08601	44.4
108.08960	3.2
109.06516	8.2
109.10156	29.7
110.10511	2.5
111.08092	6.8
113.89219	1.6
115.07595	2.3
116.46243	1.5
117.07047	4.8
118.14192	1.8
119.08585	47.0
120.08923	3.0
121.06508	2.7
121.10142	28.9
122.10470	2.4
123.08076	11.1
123.11706	14.1
125.09675	8.0
127.07565	5.5
127.59557	1.6
128.87071	1.8
129.07027	3.0
131.08557	9.2
131.74498	1.6
133.10133	40.1
134.10449	1.9
135.08057	13.1
135.11700	35.6
137.09647	12.0
137.13286	4.2
139.11179	7.1
141.07025	1.8
143.08565	6.6
145.10135	14.6
147.08076	3.8
147.11690	18.9
149.09621	11.3
149.13271	12.2
151.11186	6.3
151.14807	1.5
153.12746	2.8
155.08533	2.7
155.10701	6.0
156.09288	2.2
157.10155	7.8
159.07999	2.8
159.11708	17.2
161.09673	6.0
161.13254	16.5
163.11220	5.3
163.14870	5.8
167.05688	1.9
167.14496	1.7
169.10101	3.5
171.11714	6.9
173.09625	2.2
173.13281	13.4
175.11166	5.3
175.14819	16.4
177.12724	5.6
179.14421	4.0
181.10202	1.7
183.11720	6.0
185.13257	6.9
187.11234	7.3
187.14816	10.2
188.15169	2.1
189.12752	4.6
189.16383	34.7
190.16765	3.3
191.14360	3.7
193.10217	2.0
193.15813	3.5
195.11627	2.5
197.13351	8.1
199.14871	5.6
201.12712	4.4
201.16449	5.3
203.14429	5.5
203.18062	3.2
205.12297	7.6
207.17447	30.0
211.14870	5.9
213.12669	2.0
213.16347	3.6
215.14403	3.0
215.18105	2.4
217.15854	2.5
227.17989	5.4
229.15898	5.3
231.17456	3.6
241.15828	2.6
241.19571	3.2
243.20938	2.2
245.18930	3.0
251.17986	2.4
255.17323	8.4
257.19183	2.4
263.20175	3.2
269.19083	4.0
271.20551	4.3
273.18414	4.4
275.20172	2.0
317.24838	5.8
355.20636	1.7
359.02856	2.6
381.31625	2.0
391.29800	10.7
409.31018	32.8
410.31287	4.0
411.64584	1.8
427.32162	53.0
428.32220	5.5
433.44238	2.0
445.33173	100.0
446.33585	12.3
462.26529	2.9
462.35428	6.2
463.28619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.05508	14.6
57.07077	6.4
65.03938	2.1
67.05503	21.9
69.07068	19.0
69.07376	2.2
69.08352	16.7
71.04993	15.9
79.05495	11.8
79.05930	1.9
81.07063	55.3
83.08617	12.9
85.06549	16.2
90.38985	1.8
91.05493	7.8
93.07050	33.3
95.04971	4.0
95.08614	100.0
96.08931	2.9
97.06522	4.8
97.10172	11.0
99.04464	3.1
105.07041	27.3
107.08597	48.5
109.06522	2.1
109.10161	57.4
111.08097	5.7
111.11733	2.6
113.09660	13.1
119.08591	33.8
121.10146	44.4
123.08061	3.1
123.11707	21.5
125.09647	2.7
131.08592	3.8
133.10143	36.5
135.11699	29.6
137.09647	3.4
137.13248	14.2
139.11206	2.9
145.10141	11.2
147.11719	29.0
149.09671	1.9
149.13264	30.2
151.11200	5.4
151.14897	2.8
159.11688	13.9
161.13269	19.6
163.11156	2.9
163.14806	14.2
165.12715	2.2
167.10690	4.7
171.11687	2.9
173.13303	6.7
175.14816	19.2
177.12753	2.6
177.16367	10.6
179.14339	3.8
181.12260	6.4
185.13231	2.3
187.14848	13.2
189.16405	23.4
191.14285	3.2
191.16121	1.9
191.18004	7.2
193.15924	5.5
195.13861	4.7
199.14728	2.4
201.16359	9.7
203.17979	17.7
207.17430	16.1
215.18105	4.3
216.18088	2.1
217.19649	5.8
219.17450	4.9
221.19026	8.8
223.16953	7.6
225.18417	2.1
226.09123	2.2
231.21024	2.6
233.19151	5.2
235.20708	2.1
237.18498	7.6
245.22578	2.4
271.24197	4.0
289.25452	1.8
317.24176	2.3
331.26535	2.5
360.95621	2.1
375.32593	3.6
391.33575	2.9
409.34659	45.3
410.35233	4.3
427.35754	92.9
428.36035	9.5
445.36789	93.8
446.37146	9.1
462.39703	12.6
463.38004	7.0
486.39279	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1215
Annotation	Keyakinin
Peak:m/z	Relative Intensity
52.99562	0.6
56.05019	0.7
56.96567	1.2
57.98551	0.6
62.95185	0.6
69.46593	1.8
69.47022	2.5
70.06591	1.0
70.94554	0.7
70.98643	0.6
73.04768	1.8
73.05370	0.7
74.06081	1.0
84.04550	1.1
84.08140	1.7
84.96083	0.8
85.02898	1.1
86.09713	4.5
91.05853	3.5
98.97604	1.7
116.98586	1.2
128.98575	0.8
129.10219	1.2
134.99661	0.9
147.04393	4.3
148.04755	2.6
165.76698	0.8
167.05559	2.2
177.05515	1.3
178.05826	0.9
180.97836	1.8
198.98674	0.7
200.13921	0.7
205.04611	1.1
219.01862	0.7
225.04199	0.8
237.02780	0.8
243.98660	0.8
359.02725	0.8
360.02896	3.0
411.83701	0.7
430.09091	1.7
463.12085	100.0
463.17468	6.2
464.12326	7.4
464.17850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
61.34973	0.1
68.18519	0.1
69.15879	0.9
69.16177	0.1
70.06599	0.9
72.08136	0.3
74.08122	0.1
84.08106	0.3
87.90707	0.1
89.02731	0.1
92.84254	0.1
97.21786	0.1
98.22640	0.2
146.06023	0.2
153.01799	0.4
223.65247	0.1
229.04967	0.4
250.94736	0.1
257.04440	0.2
258.05228	18.3
259.05609	0.7
286.04706	39.0
287.05063	1.4
301.07050	100.0
302.07404	5.1
413.70740	0.2
463.12335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01873	14.8
55.05502	16.7
57.03446	2.4
65.03938	2.1
67.05504	29.1
69.02357	17.5
69.03416	7.6
69.07069	23.2
70.06587	2.9
71.04994	14.1
72.08542	1.8
73.02915	1.9
79.05059	2.8
79.05495	31.9
81.03414	4.3
81.07057	68.5
83.04987	30.7
83.08630	10.7
84.04490	2.6
85.02885	7.0
85.06529	11.4
86.09692	2.3
91.05469	24.6
93.06461	4.2
93.07050	84.1
95.04962	33.0
95.08613	52.9
97.06535	40.4
99.04459	25.9
101.02352	2.1
105.04530	2.2
105.07034	61.1
107.04945	5.9
107.08595	43.3
108.68994	1.9
109.06522	39.7
109.10126	12.3
111.00813	4.9
111.04445	2.4
111.08084	39.8
113.06006	5.5
117.07037	3.8
119.04926	2.8
119.08585	32.8
121.06506	72.6
121.10131	9.7
122.06873	2.1
123.04453	7.1
123.08064	10.9
123.11710	13.0
125.05988	23.8
125.09677	2.7
127.07587	10.5
128.06253	2.9
129.01877	4.9
129.06963	4.1
131.08583	8.1
133.06491	6.5
133.09200	3.5
133.10141	38.5
135.08049	24.4
136.07565	5.3
137.05989	10.0
137.09610	2.3
137.13271	2.6
139.07538	45.9
141.05466	5.2
142.07784	7.8
143.07039	14.9
143.08562	8.8
145.10129	10.2
147.08063	6.0
147.11687	74.6
148.12007	3.9
149.09622	4.3
149.13260	5.3
151.07481	2.1
151.11183	11.5
156.09343	4.7
157.01372	5.4
157.08614	22.3
157.10123	21.6
159.06541	10.3
159.07855	2.4
161.06046	2.1
161.13292	12.6
163.11205	3.1
164.07111	2.4
165.12743	30.4
166.07790	2.2
169.12233	39.9
169.13591	2.8
171.11722	17.1
171.37346	1.8
173.09625	5.7
175.11182	58.4
176.11461	2.3
179.14261	2.1
181.10069	4.7
184.08807	2.9
189.11182	3.7
189.12746	30.1
191.14302	2.2
193.12248	73.7
193.14011	3.8
194.12563	3.0
199.11191	31.2
207.13821	19.3
211.11263	3.9
211.13287	69.7
217.03444	22.3
217.12242	100.0
218.12544	4.7
225.14847	2.5
229.14351	28.5
230.14665	2.6
235.13287	94.9
236.13557	5.5
253.14343	70.5
254.14809	3.0
271.15363	3.8
286.04608	3.0
287.05637	2.7
301.06973	7.2
353.15906	2.9
409.15009	9.4
427.15976	8.7
445.17010	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	463.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12448	0.4
55.05495	0.6
55.18154	0.4
59.78825	0.4
67.05476	0.8
69.07038	0.7
69.29208	0.9
69.29620	2.6
69.72454	0.4
81.07056	1.2
83.04980	0.5
93.07053	0.6
95.04964	0.5
95.08578	2.0
96.37051	0.5
98.23412	0.8
103.88572	0.6
105.07049	0.7
107.08585	1.6
109.10109	0.9
116.21166	0.5
119.08555	1.2
121.10120	1.3
123.11665	1.0
133.10100	0.7
135.11678	0.8
136.79861	0.5
137.13240	0.8
145.10095	0.5
159.11687	0.6
169.10147	0.6
175.14627	0.5
197.13454	0.4
241.12144	0.5
270.24329	0.5
286.84351	0.5
306.87613	0.6
323.89432	0.5
445.29480	8.3
463.26462	100.0
464.26849	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	463.2669
Annotation	Briarellin L
Peak:m/z	Relative Intensity
61.68203	0.9
67.05468	1.0
69.63559	3.8
70.06593	1.4
81.07084	1.2
98.22654	1.2
118.05216	0.9
185.04243	4.2
259.83456	1.0
301.21368	3.2
407.61209	1.0
445.29642	1.7
463.26639	100.0
464.26971	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	463.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05507	6.8
56.66888	1.0
57.07070	1.9
65.03936	1.4
67.05512	8.7
69.03420	1.6
69.07079	6.8
71.32684	1.4
79.05490	6.9
81.07062	12.0
83.04981	4.9
83.08614	1.8
85.06532	4.5
91.05464	9.8
93.07042	11.8
95.04964	4.2
95.08611	22.4
97.06536	1.4
103.03462	1.0
105.07036	12.1
107.08596	9.5
109.06509	3.8
109.09454	1.0
109.10163	4.8
111.04451	3.7
111.08089	2.7
117.07027	4.5
119.08598	11.0
120.41366	1.1
121.06504	3.1
121.10160	3.9
123.08080	5.1
125.09593	1.6
128.06207	3.3
129.07018	5.5
130.07762	1.4
131.08546	7.1
133.10120	7.0
135.08034	2.0
135.11726	2.5
137.05983	1.5
141.07002	2.6
141.09100	2.7
142.07771	6.6
143.08559	10.4
145.10115	7.7
147.08014	3.3
147.11697	2.3
149.09715	1.3
151.07523	1.2
153.06938	1.9
154.07819	2.2
155.08566	17.1
156.09323	4.8
157.10129	16.1
159.11710	4.3
161.09669	5.4
161.13319	1.4
165.06978	5.9
166.07779	1.7
167.08580	7.9
168.09361	2.9
169.10161	9.4
170.10843	2.1
171.11717	7.0
173.13251	1.4
175.11266	2.2
178.07745	2.4
178.86307	1.2
179.08542	9.8
180.09348	5.1
181.10118	11.6
182.10974	3.2
183.11717	6.6
185.09639	1.4
185.13297	3.4
187.11172	1.4
189.12759	1.5
191.08565	2.7
192.09351	5.3
193.10133	13.4
194.10887	6.2
195.08006	1.6
195.11697	16.5
196.12358	2.7
197.09641	3.0
197.13281	9.4
198.13898	1.4
199.11183	2.7
199.14758	1.4
204.09305	1.8
205.10120	5.3
206.10791	6.5
207.08311	1.0
207.11702	20.7
208.12386	5.5
209.09631	3.4
209.13271	22.9
210.13892	2.8
211.11200	1.2
211.14839	3.4
213.09198	2.7
217.10286	2.0
217.12238	2.0
219.11722	6.0
219.13686	1.2
220.12424	4.1
221.09673	2.5
221.13243	22.8
222.13933	3.3
223.11305	1.4
223.14813	16.3
224.15546	1.8
225.12788	2.6
225.16412	2.4
227.10698	3.9
231.11729	1.6
232.12471	2.3
233.13228	5.7
234.14079	3.1
235.11194	1.8
235.14806	8.1
236.15407	1.4
237.12779	1.6
237.16400	4.7
245.13162	1.7
246.10327	1.3
246.13934	1.3
247.11217	2.5
247.14789	5.4
248.15575	2.6
249.12724	4.4
249.16371	9.0
251.14392	4.0
251.17999	2.5
253.12306	2.4
255.13875	1.4
257.15326	1.9
259.14914	2.0
261.12573	1.5
261.16397	3.8
262.17291	1.5
263.14401	3.6
263.17969	11.6
264.18668	3.2
265.12366	1.7
265.15802	1.8
265.19452	2.1
267.13736	5.6
267.83527	1.3
269.15353	7.9
277.16006	2.1
277.19510	3.0
281.15387	4.4
283.17001	3.2
287.18030	2.0
289.16113	1.2
289.19461	2.1
293.15302	1.8
295.17004	2.7
303.17529	1.8
303.21262	1.1
305.19025	5.4
307.16953	1.6
309.18539	3.1
321.18439	2.4
322.19238	1.3
323.20059	16.3
324.20700	2.0
325.21478	1.6
331.20581	2.5
349.21683	3.0
361.22153	1.2
364.23923	1.5
385.25174	1.8
389.21143	1.7
403.26358	40.0
404.26648	3.0
407.22076	2.0
417.27936	2.7
419.29416	16.9
427.26340	4.6
445.28732	28.7
446.28577	1.4
463.28424	100.0
464.28653	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	463.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05518	4.8
65.03934	0.9
67.05514	7.3
69.03436	1.4
69.07071	4.4
69.13433	1.6
69.13839	5.5
70.06600	2.7
71.04979	1.4
79.05085	1.0
79.05482	5.4
81.07060	9.5
83.04961	4.7
83.08622	1.6
85.06548	2.2
91.05474	5.9
93.07058	9.0
95.04976	2.2
95.08611	14.3
97.06553	1.7
97.10155	0.7
99.04402	0.7
105.07052	8.2
107.08599	9.0
109.06535	3.3
109.10175	5.2
111.04469	2.1
111.08090	3.1
113.06022	0.9
115.05495	0.7
117.07044	2.7
119.08588	8.9
121.06525	1.6
121.10174	5.9
123.08072	3.8
123.11716	1.6
127.07568	1.0
128.06245	1.9
129.07008	4.6
131.08592	5.3
131.09436	1.0
133.10139	5.5
135.08061	1.7
135.11699	3.1
137.09648	0.9
139.07549	1.3
141.07010	2.8
142.07822	3.8
143.08575	7.3
145.06447	0.8
145.10152	6.3
147.08067	1.6
147.11723	2.9
149.09685	1.0
149.13248	1.5
153.06985	0.8
155.08575	11.8
156.09322	3.0
157.10124	10.1
159.11720	6.1
161.09642	2.2
161.13257	1.8
163.11234	1.0
165.07024	3.3
166.07779	1.0
167.08585	3.0
168.09317	1.2
169.10138	7.3
171.11739	4.8
173.09686	1.5
173.13254	1.6
175.11162	1.1
178.07806	1.2
179.08562	5.0
179.10565	0.7
180.09363	2.5
181.10136	9.0
182.10834	1.7
183.11711	5.4
185.09639	1.8
185.13278	1.9
187.11134	1.6
189.12755	1.2
191.08636	1.2
192.09335	3.8
193.10147	10.8
194.10880	3.0
195.11720	10.5
196.12463	1.8
197.09680	2.5
197.13242	5.0
199.11223	1.8
201.12776	0.9
203.10655	0.9
205.10258	3.8
205.11993	1.1
206.10907	4.5
207.11708	17.0
207.13643	1.1
208.12460	3.0
209.09708	1.5
209.13254	9.7
210.13983	1.4
211.14870	1.9
213.09116	1.7
213.12698	0.8
217.10297	1.2
217.12315	2.1
219.11716	4.6
220.12482	1.9
221.13264	18.3
221.14934	0.7
222.13829	2.2
223.11272	1.1
223.14842	6.7
225.16440	1.3
227.10698	2.9
231.11751	1.1
233.13297	2.5
234.13908	1.6
235.11263	1.6
235.14821	7.1
236.15427	0.9
237.12886	1.5
237.16411	1.8
239.14357	1.1
245.13326	1.6
247.14905	3.1
248.15646	1.2
249.12782	3.2
249.16391	2.5
251.10803	1.0
251.14336	3.0
251.17986	1.4
253.12291	2.1
255.13834	1.6
257.15475	2.9
261.12677	1.4
261.16461	2.5
263.14343	3.1
263.18021	4.4
265.12357	1.7
265.16028	2.0
265.19180	1.0
267.13800	4.1
269.15369	8.3
275.14212	1.0
277.15933	1.3
277.19574	2.0
280.14432	1.3
281.15396	2.4
282.16110	0.9
283.17059	1.9
287.17828	0.9
289.16031	1.5
289.19431	1.3
295.16928	3.3
297.18613	1.0
303.17462	1.0
305.18994	4.0
307.16937	1.6
309.18408	2.4
321.18576	1.5
323.20004	9.3
324.20770	1.7
331.20712	1.1
349.21515	0.9
361.21783	0.9
364.23999	1.2
376.13187	0.8
403.26575	3.8
404.26950	1.3
417.28009	4.3
419.29517	3.1
427.26474	2.2
445.27307	8.3
445.33051	1.3
446.27856	1.4
463.28445	100.0
464.28754	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	463.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02522	0.9
54.69871	0.8
60.18613	0.9
67.05510	1.1
69.11444	7.0
81.07027	1.3
84.24016	0.9
93.07031	1.6
95.08573	1.1
104.18577	0.8
119.08591	0.8
141.91289	0.9
152.53171	0.9
199.89020	0.9
445.29266	100.0
446.29599	9.8
463.25537	7.3
463.31183	58.6
464.31656	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	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.5
55.05511	17.5
55.13713	4.4
56.48728	4.2
57.07077	41.1
59.16985	4.0
66.27753	4.3
67.05502	9.2
69.07075	38.4
70.65070	5.6
71.08633	27.8
79.05492	9.0
81.07043	21.8
83.08624	16.9
85.10181	12.9
88.06279	4.3
93.07037	12.2
95.08597	22.8
97.10173	9.6
99.04438	9.3
101.42543	5.0
105.07014	10.4
107.08591	9.5
109.06525	13.1
109.10149	11.7
111.11696	8.0
119.08633	5.9
121.06470	5.6
121.10143	6.5
123.08058	9.0
123.11730	11.1
125.06003	16.8
127.07574	46.7
135.11716	6.3
137.05972	9.1
139.07542	100.0
142.40828	5.1
147.11693	8.3
149.06023	5.4
165.09035	4.8
177.09158	17.1
187.61401	4.5
206.73962	5.2
235.49452	5.1
301.28867	4.7
319.30057	9.3
347.33167	11.2
373.30530	5.4
417.37198	19.0
445.36676	46.2
463.38229	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	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.0
57.07078	28.1
67.05509	7.9
69.07072	24.8
69.39697	10.7
70.77699	2.2
71.08639	19.6
76.13343	2.7
79.05499	5.9
81.07060	22.3
83.08614	18.3
85.06549	2.5
85.10165	15.0
91.05495	5.4
93.07055	8.2
95.08600	21.0
97.06481	2.9
97.10179	10.0
99.01346	2.3
99.04457	5.8
105.07041	8.1
107.04963	2.5
107.08598	6.7
109.06507	11.7
109.10175	7.8
111.11766	5.5
119.08568	4.2
121.06577	3.1
121.10188	4.6
123.08080	10.6
123.11710	3.6
125.05985	13.6
125.09612	2.7
127.07554	38.6
133.10136	6.0
135.08058	2.6
135.11740	4.0
137.06021	3.6
137.09637	4.8
137.13258	3.1
139.07538	100.0
143.08612	3.1
145.10117	2.6
147.11658	3.8
149.13232	3.0
151.07576	4.3
151.11226	2.9
159.11728	2.7
161.13263	3.1
163.07570	3.9
167.07053	7.3
171.11777	3.2
175.14944	3.1
177.09065	11.1
191.10751	2.5
269.89331	2.1
282.74634	2.2
301.28995	4.9
308.47769	2.3
319.30045	10.4
326.65292	2.2
347.33069	13.3
373.30963	6.9
403.34219	4.2
417.37250	15.4
445.36780	27.5
446.37296	2.7
463.37680	23.6
464.37970	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	464.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.93877	0.3
55.01875	2.0
57.03441	4.5
61.02609	0.4
61.02927	8.9
69.03433	16.7
70.06594	0.4
71.01340	0.3
71.04996	2.8
73.02926	3.9
79.05492	0.7
81.02970	0.6
81.03425	7.0
81.07078	0.5
83.01366	0.7
84.08151	1.1
85.02908	100.0
86.03252	1.3
87.04484	2.0
89.06026	5.1
91.03962	5.2
91.05459	0.5
95.04928	0.4
97.02897	26.3
98.03259	0.7
99.04460	4.2
101.02386	0.9
103.03927	0.6
105.03403	3.3
105.07033	6.3
109.02889	8.6
115.03933	1.3
117.05516	0.6
117.07141	0.3
119.08561	0.6
120.08112	0.8
122.06030	0.3
127.03922	27.6
127.46077	0.4
128.04204	0.4
129.10181	0.5
130.78888	0.4
133.06476	0.5
135.06546	1.2
145.04964	51.1
146.05255	0.8
147.08046	1.1
151.07579	0.4
159.08099	0.3
163.06026	23.4
164.06174	0.4
185.09691	0.5
189.09119	0.9
193.05376	0.4
211.77856	0.4
231.10141	1.2
249.11194	0.9
261.09775	0.6
267.08447	0.6
285.13226	1.6
289.09219	0.5
303.13281	0.6
325.11206	0.8
359.53943	0.4
381.12155	0.4
398.50223	0.4
464.29214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01867	2.1
57.03438	4.6
61.02930	7.8
67.05500	0.7
69.03431	16.4
70.06599	0.8
71.04996	2.4
71.20048	0.6
73.02927	3.8
74.06920	0.5
79.05485	1.0
81.02985	0.5
81.03424	6.3
81.07036	0.7
83.04990	0.6
84.08158	0.9
85.02905	100.0
86.03239	1.7
86.09708	1.3
87.04465	2.0
91.03951	5.5
91.05453	0.6
97.02889	24.0
99.04444	3.8
103.03932	1.0
103.05466	1.0
105.03385	0.7
105.07013	3.9
108.31729	0.5
109.02879	8.6
109.03573	0.8
115.03940	1.2
120.08123	2.6
127.03919	23.7
128.04280	0.8
128.58443	0.5
131.04924	2.3
135.60947	0.5
137.06033	0.7
145.04959	49.0
146.05290	1.2
147.08060	1.0
163.06029	20.1
166.08667	0.5
168.33441	0.5
189.12723	0.6
192.97263	0.5
217.12213	0.8
285.13361	1.0
336.97476	0.5
464.21756	1.7
465.17773	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01871	3.2
55.05507	18.5
57.03429	4.7
57.07061	4.4
57.34096	2.1
61.02924	2.6
67.05503	9.6
69.03430	15.0
69.07062	5.0
70.06586	8.3
71.04995	5.3
71.30657	2.6
72.08160	2.6
73.02917	5.7
79.05495	21.8
81.03395	5.8
81.07056	98.7
82.07410	3.3
83.04982	100.0
85.02909	35.0
85.06531	5.4
87.00829	6.1
91.05486	8.4
92.05786	2.4
93.07034	12.6
95.04980	3.9
95.08601	15.8
97.02870	14.0
99.04413	4.7
105.01871	5.2
105.07049	10.9
107.08588	11.2
109.02848	5.4
109.06500	2.8
109.10140	8.8
111.04442	44.3
111.08083	4.0
115.03952	3.6
117.06984	2.2
117.68434	2.2
119.08566	5.0
121.06515	4.2
121.10137	4.9
122.05383	2.4
123.08130	2.4
123.11764	3.0
125.05994	9.9
125.09628	2.8
127.03914	15.0
129.05510	4.3
131.08591	3.9
133.10110	4.7
135.08043	7.0
135.11678	5.4
143.08626	2.6
145.04930	3.1
145.10121	7.3
146.62463	1.9
147.11684	3.2
153.12767	3.2
157.10074	4.1
159.11655	2.7
161.13274	3.0
163.11201	9.9
163.14835	2.7
171.06534	37.4
171.96121	2.7
173.13286	2.7
181.06641	2.4
181.12233	90.1
181.15749	5.2
182.12633	2.4
199.13310	21.8
286.04431	2.7
303.10645	3.5
331.10233	3.2
464.29562	5.3
465.11319	4.9
465.17209	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	464.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.7
55.05510	11.9
57.03428	3.4
57.07085	8.4
67.05506	23.1
69.03439	5.4
69.07081	22.3
69.32910	8.3
69.33321	15.9
79.05496	10.7
81.07059	36.5
83.04978	3.5
83.08638	14.2
90.27898	3.7
91.05502	10.5
93.07067	16.1
95.04967	3.8
95.08607	36.6
97.06528	8.1
97.10175	6.7
98.98479	9.2
105.07051	20.7
107.08602	28.5
109.06491	4.4
109.10162	26.7
117.07030	5.7
119.08587	22.8
121.10165	19.8
123.11704	38.4
125.09651	3.6
131.08589	7.5
133.06458	4.7
133.10167	17.7
135.11714	15.8
137.13289	8.5
143.08537	5.4
145.10117	20.7
147.11754	9.1
148.08517	4.6
149.09601	4.4
149.13286	4.4
151.14751	4.6
155.01044	10.3
157.10130	9.3
159.11714	12.9
160.12383	4.7
161.13313	9.6
163.11211	5.8
163.14839	7.4
171.11736	7.8
173.13234	9.5
175.14886	9.1
177.12747	6.5
177.16400	9.7
185.09576	4.4
185.13174	5.2
187.14816	6.9
189.12689	4.1
189.16376	9.5
199.14905	5.3
201.16412	7.7
207.06477	4.6
213.16455	4.8
215.17949	9.1
219.06693	3.6
284.29355	5.9
311.26022	19.2
311.28946	3.9
369.27463	5.3
383.33270	17.2
401.33978	7.6
405.61456	4.7
411.32651	31.0
429.33856	26.5
447.34827	5.1
464.26962	100.0
465.30048	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	465.1183
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.03945	2.3
55.01885	2.1
55.05513	6.0
57.03442	2.3
57.07083	1.1
61.02962	1.1
61.52304	0.9
65.03938	1.8
67.01855	1.3
67.05509	7.0
68.99789	1.6
69.03428	9.3
69.07074	5.1
70.06590	1.1
71.01360	1.7
71.05001	2.9
71.30643	1.4
73.02921	3.6
79.05495	5.4
81.03432	3.6
81.07072	10.0
83.04984	22.6
83.08627	2.8
85.02909	14.0
85.06544	1.8
87.04532	1.0
91.05453	4.9
93.07052	6.4
95.04991	2.2
95.08607	12.9
97.02905	7.2
97.03422	0.9
97.06567	1.3
99.04456	2.4
101.02446	0.9
105.07041	6.8
107.04967	2.1
107.08613	5.8
109.02899	2.4
109.06516	2.2
109.10160	7.2
111.04461	13.3
111.08120	1.7
113.06090	1.0
115.03963	1.1
115.05492	1.4
117.07021	2.2
119.03437	0.9
119.08588	8.4
121.06528	1.9
121.10131	4.7
123.04472	1.9
123.08092	2.0
123.10923	1.0
123.11781	3.3
125.09639	1.4
127.03960	3.5
128.06229	1.5
129.05524	4.2
129.16252	1.0
131.08630	4.5
133.10187	4.1
135.08101	1.8
135.11734	3.3
137.05983	5.3
137.09669	1.9
141.06984	1.2
143.03537	1.3
143.08601	3.4
145.05063	1.6
145.10164	4.4
147.04456	2.1
147.08051	1.0
147.11754	2.7
149.13298	1.7
153.01825	18.7
153.05501	1.3
155.08482	1.4
157.10197	3.0
159.08142	1.8
159.11745	3.3
161.09717	1.9
161.13348	2.8
163.14824	1.4
169.10133	1.1
171.06544	23.2
171.07965	2.2
171.11729	2.4
173.13324	2.5
175.11263	2.2
175.15044	1.3
181.12444	1.2
187.07637	2.9
187.14793	1.3
199.14899	1.7
201.16469	1.4
203.03574	1.2
203.14380	1.5
203.18050	1.0
211.14966	1.0
225.13052	1.0
229.05061	2.2
241.05086	1.7
242.05920	1.9
251.07011	1.8
257.04492	9.4
258.05219	7.1
269.04535	2.9
271.06198	1.9
272.06879	1.4
280.07346	1.2
285.04077	1.5
285.09668	1.5
285.22348	1.1
286.04709	10.7
287.05347	4.8
299.05673	3.0
303.10760	1.3
309.07806	1.6
311.05505	16.9
321.07712	1.7
323.05637	1.5
333.07916	1.1
333.12122	1.5
337.07266	3.8
341.08173	1.4
347.09207	2.4
357.07867	1.4
358.08597	3.3
359.09229	7.2
361.07047	4.9
365.06653	7.8
369.07730	2.0
375.08578	10.5
376.09393	5.5
385.07162	1.4
386.07773	7.8
387.08530	8.3
389.06763	1.2
391.08154	1.8
393.06024	14.8
394.06992	1.5
403.08105	30.2
403.13068	1.7
404.08844	4.9
413.06589	1.2
414.07730	3.4
415.08215	10.7
416.09021	1.8
419.07538	17.1
419.29636	2.0
420.08389	14.6
421.09390	1.3
429.29779	1.3
431.07571	8.6
432.08435	71.0
433.08646	5.3
435.10757	48.6
436.11349	3.1
447.05310	1.3
447.10760	99.8
448.11215	6.9
465.12070	100.0
465.29938	2.4
466.12457	7.6
481.75281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1183
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.34764	0.4
69.72526	1.2
70.44009	0.3
91.05470	1.9
95.97894	0.4
100.05140	0.3
102.04660	1.5
105.07009	0.3
110.03615	1.0
119.04925	1.2
123.04424	0.5
124.77613	0.3
126.38949	0.3
130.04099	1.5
133.06459	0.6
135.04385	0.6
136.05180	1.2
137.05971	0.6
142.30692	0.4
146.02754	0.3
146.03633	3.6
147.04424	2.6
148.05206	4.2
153.01834	5.4
161.05988	2.2
162.06775	0.4
163.03874	1.3
187.51167	0.3
203.03409	5.2
213.05424	0.6
229.04962	5.4
241.04984	1.1
242.05733	11.8
243.46706	0.3
253.04897	3.1
254.05653	0.4
255.06421	0.4
257.04446	51.9
258.05209	18.9
259.05765	0.6
269.04541	1.9
270.05228	3.2
271.05994	2.0
283.06079	0.8
285.01144	0.2
285.03934	7.3
286.04706	32.3
287.05457	15.8
288.05884	0.3
295.06116	0.7
297.03943	5.9
298.04343	0.4
299.05643	1.7
300.05884	0.4
327.04941	2.2
341.06598	0.7
373.07272	0.8
387.08847	0.5
389.06430	0.5
391.07596	0.4
403.08115	1.4
404.08768	0.3
414.07196	0.4
415.07990	0.5
432.08356	2.2
435.10754	4.6
447.10757	15.0
448.11322	1.1
465.11807	100.0
466.12134	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	465.1182
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
59.96566	1.1
64.80975	1.0
95.08674	1.2
98.22617	1.8
105.07008	1.4
106.67306	1.0
119.04900	1.0
122.87885	0.9
147.04485	1.1
148.05132	1.1
153.01825	2.7
161.06009	1.9
203.03377	9.2
229.04984	8.7
241.04988	1.2
242.05748	3.3
257.04440	100.0
258.05081	7.7
276.23154	1.1
285.03983	5.8
286.04578	9.8
287.05441	10.1
297.03925	7.4
391.08188	1.5
403.08163	1.9
435.10977	6.0
447.10590	1.2
465.11792	98.8
466.12219	6.7
466.18857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.1
58.21109	0.7
61.69601	0.6
62.19672	0.6
67.05493	1.4
69.03446	1.8
69.07076	1.0
70.56813	0.8
70.57134	0.9
79.05492	1.7
81.03397	1.6
81.07073	2.9
83.04984	1.9
85.02914	2.3
85.06588	1.1
85.09560	0.7
91.05510	2.0
93.07055	2.3
95.04979	1.1
95.08635	2.0
97.02935	0.9
105.07051	2.8
107.08598	1.7
109.02966	0.7
109.10152	1.4
111.04482	0.9
115.03912	0.9
117.07036	0.8
119.04904	0.7
119.08621	1.8
121.10155	1.7
123.04433	0.8
127.00014	0.8
127.03943	1.4
131.08554	0.9
133.10159	1.1
137.05984	0.8
145.10144	1.4
147.11723	0.9
153.01921	1.4
159.11751	0.9
169.10156	0.8
171.06519	1.6
196.52945	0.7
201.05226	4.3
203.03433	1.5
213.63037	0.7
216.07593	27.4
217.08360	17.2
227.05293	2.7
229.05075	1.6
257.04474	15.5
258.05026	2.0
271.04227	4.1
286.04810	2.7
287.05725	1.5
297.04031	1.3
379.13605	6.1
403.13770	1.3
421.14685	50.9
422.15161	2.8
435.11230	1.0
465.13675	100.0
466.08334	1.0
466.14114	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	465.1368
Annotation	Keyakinol
Peak:m/z	Relative Intensity
57.14239	1.0
58.64974	1.0
66.16121	1.2
66.91920	1.0
69.21695	7.2
83.18320	1.0
98.06049	1.1
192.23274	1.2
246.64595	1.2
255.30341	1.5
258.92355	1.1
303.15417	2.0
459.72540	1.2
465.13690	100.0
466.13980	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	465.1368
Annotation	Keyakinol
Peak:m/z	Relative Intensity
63.60578	0.3
69.07910	0.5
69.08311	2.1
72.80455	0.3
76.76228	0.3
118.38587	0.3
119.08609	0.4
127.00049	0.6
140.11859	0.3
167.03165	0.7
176.04359	0.5
185.04152	0.5
189.09074	0.3
201.05263	1.5
216.07579	13.2
217.08350	12.2
218.08691	0.6
227.05215	2.3
245.16507	0.3
270.84930	0.4
271.04254	4.3
350.09750	0.4
361.12439	0.5
379.13638	6.8
380.13531	0.3
381.72598	0.4
403.13434	1.3
421.14676	45.3
422.14926	3.2
437.89841	0.3
465.13669	100.0
466.13968	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	465.1374
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.57463	1.2
56.96569	2.1
63.17188	1.4
64.14037	1.4
70.23221	4.0
90.73965	1.3
95.88309	1.4
98.97602	5.1
110.97574	2.5
116.98626	1.9
128.98663	1.9
141.52264	1.4
195.77393	1.4
196.67702	1.5
199.86543	1.4
219.01764	10.7
237.02876	9.6
243.36580	1.3
261.02817	4.4
279.03906	15.0
290.54099	1.4
303.07346	2.0
307.17645	1.6
321.05090	4.3
465.13721	100.0
466.14001	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	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52814	1.6
55.01874	8.7
55.05509	13.5
57.03444	3.2
57.07080	3.2
67.05502	4.1
69.07067	15.8
71.08636	4.3
73.02922	4.9
79.05482	4.4
81.07058	5.7
81.89627	1.4
83.08630	10.8
85.10152	1.5
93.07055	3.6
95.08607	5.3
97.06535	1.4
97.10179	7.5
98.98463	28.9
107.08585	2.9
109.10117	1.8
119.08587	1.5
121.10165	3.8
129.05386	2.2
133.11502	1.4
135.11708	1.7
137.00055	3.0
155.01050	23.8
185.04218	15.8
230.16524	1.5
237.22121	5.0
303.22974	6.2
311.25784	53.0
312.26147	3.5
318.01254	1.5
337.27213	2.6
447.24948	6.2
465.28232	100.0
466.28561	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	465.2999
Annotation	Macrophyllidimer B
Peak:m/z	Relative Intensity
53.03949	2.7
55.01867	1.2
55.05515	8.7
56.54743	1.2
57.07088	1.4
65.03967	1.6
67.05511	13.8
69.03425	3.9
69.07075	7.2
69.18871	2.5
69.19271	5.7
70.06593	2.2
71.04993	1.9
72.08167	2.9
77.03930	1.5
79.05492	16.8
81.03426	1.9
81.07059	21.6
83.04976	2.8
83.08629	3.1
84.08162	1.7
85.06545	1.7
86.09701	5.0
91.04960	2.1
91.05483	27.4
93.07043	26.3
95.04969	7.8
95.08609	28.9
97.06525	2.9
98.22562	2.0
99.04405	1.2
99.08086	1.3
99.25794	1.0
103.05457	2.7
105.07034	56.9
106.07384	1.3
107.04959	2.4
107.08598	26.3
108.39959	0.9
109.02843	1.2
109.06519	3.3
109.10146	9.3
111.08076	1.8
111.78139	1.0
115.05465	3.8
116.06251	2.3
117.07016	18.0
119.04951	1.2
119.08581	46.5
120.08105	8.0
120.08854	1.7
121.06511	4.7
121.10137	13.4
123.00823	1.2
123.08073	4.7
123.11691	2.2
128.06221	8.1
129.07001	18.2
130.07806	3.3
131.04909	2.3
131.08568	55.5
132.08917	1.8
133.06505	6.1
133.10133	23.0
135.04436	2.1
135.08061	7.1
135.11693	4.9
137.05989	1.7
137.09608	1.2
141.06982	7.1
142.07790	14.6
143.08553	40.1
144.09425	5.1
145.06497	4.4
145.10121	66.5
146.07277	1.2
146.10483	1.2
147.08058	9.8
147.11687	11.8
149.06023	1.6
149.09596	3.4
149.13234	2.3
153.01852	7.1
153.07071	1.1
154.07788	2.0
155.08571	16.9
156.09331	11.1
157.10124	43.6
158.10892	4.1
159.08080	7.1
159.11685	37.5
161.06000	1.6
161.09619	10.4
161.13205	9.8
163.07545	2.3
163.11226	2.4
163.14821	2.0
165.06944	1.7
167.08568	5.4
168.09369	4.9
169.08714	1.2
169.10133	24.8
170.10922	7.6
171.08107	2.9
171.11691	27.2
172.12419	2.3
173.09636	7.8
173.13261	35.3
174.13620	1.7
175.07590	2.3
175.11224	5.5
175.14810	10.7
177.05537	1.5
177.12756	2.4
179.08577	1.3
180.09305	1.7
181.10083	6.0
182.10922	5.7
183.11691	26.3
184.12425	3.1
185.09717	7.2
185.13255	52.7
186.13661	2.6
187.11258	8.7
187.14815	41.3
188.15254	1.9
189.09090	1.9
189.12776	8.0
189.16374	3.7
191.10565	1.2
191.14339	2.2
193.10167	3.0
194.10948	2.2
195.11703	9.8
196.12486	3.7
197.13257	22.7
198.13794	1.8
199.11223	4.8
199.14818	37.7
200.15297	2.0
201.12752	26.2
201.16396	12.8
202.13469	1.2
203.14301	29.8
203.16060	1.8
204.14714	1.5
205.15912	2.1
206.10880	1.8
207.11751	3.2
207.13835	1.7
208.12552	1.7
209.13234	7.2
210.14040	1.5
211.11288	1.3
211.14825	15.9
213.12857	5.9
213.16379	11.1
215.14351	9.6
215.17940	2.4
217.12256	1.9
217.15913	8.5
219.11827	1.8
219.13831	8.0
220.14200	1.3
221.13310	2.9
221.15312	2.0
223.14775	6.1
225.12871	1.4
225.16428	4.9
226.01118	1.2
227.14281	5.6
227.17923	2.9
229.12296	1.4
229.15916	11.0
231.11845	1.3
231.13811	5.7
231.17410	2.5
233.13234	2.1
233.15456	2.2
234.13933	1.4
235.14842	3.4
237.16443	4.2
239.14188	2.0
239.18056	3.5
241.15965	2.3
241.19598	1.5
243.13947	1.5
243.17558	1.5
245.15427	3.5
247.14856	2.3
247.17041	2.1
249.16377	3.4
251.17999	2.3
255.17300	2.0
259.14685	1.5
263.17966	2.0
265.19437	1.6
267.21448	1.1
271.14615	1.9
273.16315	2.7
275.17801	1.7
277.19467	1.7
281.19073	1.8
289.19543	1.6
297.18527	1.4
303.04999	53.9
303.20993	1.9
304.05396	3.5
317.22736	1.3
343.24374	1.5
345.21921	1.6
361.25320	1.7
373.29172	1.2
383.27350	5.2
385.29285	1.5
389.28476	3.7
391.30472	1.7
401.28415	15.7
402.28665	1.7
403.30029	3.4
417.27960	2.2
419.29434	22.1
419.34799	1.8
420.29898	2.8
429.27853	6.9
435.28806	4.1
437.30450	5.8
447.28973	26.4
448.29074	2.0
465.29993	100.0
466.30551	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	465.3001
Annotation	Perovskone B
Peak:m/z	Relative Intensity
55.05519	11.5
57.07074	10.7
67.05222	1.8
67.05510	17.8
69.03407	3.0
69.07082	9.1
71.08614	6.4
71.31825	2.5
79.05498	9.0
81.07053	22.6
83.04951	7.8
83.08604	7.5
85.02879	2.0
85.06512	2.0
85.10168	5.0
85.48785	1.8
89.06027	13.0
91.05491	12.0
93.07056	20.8
94.07400	2.0
95.04964	3.1
95.08043	2.8
95.08610	36.5
96.35903	1.7
97.06536	3.3
105.06377	2.4
105.07040	27.3
107.08601	21.3
107.19585	1.9
109.06488	4.2
109.10155	12.7
111.04434	2.0
111.08044	6.2
117.06986	6.9
119.08588	22.7
121.06496	4.6
121.10159	15.4
123.08070	5.1
123.11681	5.7
128.06224	4.3
129.07027	5.9
131.08562	16.0
133.08566	5.8
133.10149	13.3
135.08058	4.1
135.11696	9.5
137.13277	2.2
139.07500	2.5
141.06944	4.8
141.09070	2.0
142.07724	6.5
143.08574	21.9
145.10123	18.8
147.08035	3.7
147.11641	8.0
149.09625	4.1
149.13240	2.5
154.07741	3.3
155.08556	15.1
156.09300	5.4
157.10147	22.4
159.08058	2.7
159.11693	13.5
161.09561	6.9
161.13295	4.1
163.11171	3.8
166.07729	2.4
167.08528	7.0
168.09322	3.1
169.10126	32.1
170.10742	2.3
171.08008	2.0
171.11728	15.8
172.12238	2.5
173.09569	3.7
173.13255	4.9
175.11156	4.2
179.08549	4.6
179.10526	3.7
180.09352	2.7
181.10150	14.0
181.11688	2.7
182.10831	2.5
183.11687	20.9
185.09564	4.2
185.13194	5.5
187.11156	6.3
187.14749	3.5
189.12788	3.0
189.16335	1.9
191.10626	1.9
193.10104	6.6
194.10846	5.8
195.11726	19.0
196.12456	4.5
197.09595	2.8
197.13278	12.0
198.13844	2.1
199.11172	4.3
199.14735	5.0
201.12737	4.4
201.16353	2.5
203.10544	2.5
205.10196	2.1
205.12192	3.7
207.11732	11.0
208.12318	2.5
209.13281	23.4
210.14014	2.5
211.11212	3.3
211.14864	11.1
215.10535	2.4
217.12253	2.7
219.11674	2.5
221.13208	7.9
222.13869	2.6
223.14775	12.2
225.12801	3.0
225.16277	5.1
227.10585	5.5
227.17839	4.1
228.11319	2.3
233.13200	4.4
235.14775	5.9
237.12654	3.0
237.16339	3.9
239.14352	2.8
241.15710	2.5
243.13736	2.7
249.12477	2.2
249.16315	2.9
251.14244	7.3
251.17914	3.9
253.15759	2.8
255.13910	3.8
257.15265	3.3
259.16879	2.5
263.17719	2.7
265.15823	3.9
265.19376	5.2
267.17319	3.7
269.15414	11.8
271.16895	6.4
279.17337	3.2
281.15265	4.5
283.17126	5.0
285.18515	3.8
289.19351	3.8
290.91187	2.2
293.18787	3.4
297.18430	4.2
299.20224	2.2
305.18839	2.7
307.20468	7.2
309.18375	4.7
323.19925	2.4
325.21625	20.9
333.21976	5.5
366.25406	4.4
385.29459	2.0
405.31207	5.7
411.26578	2.0
419.29437	4.6
429.27707	7.0
447.28925	13.1
448.30112	2.0
465.29691	100.0
466.30005	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93040	7.5
55.05506	19.4
57.07076	17.9
60.48255	6.8
67.05515	40.4
69.07067	35.4
69.93822	11.3
69.94145	17.3
71.08625	7.4
72.72293	7.8
79.05479	10.4
81.07069	50.2
83.08627	15.9
83.24957	7.2
85.10217	8.3
89.06015	11.3
91.05475	26.3
92.05813	12.7
93.07067	21.8
95.08624	88.8
105.07031	17.1
106.58971	8.8
107.08603	34.4
109.10164	55.2
111.11750	10.0
111.57557	7.1
116.60226	8.1
119.08555	23.3
121.10175	19.5
123.11723	24.1
129.63998	7.6
131.08559	12.2
133.08586	9.0
133.10115	19.4
135.11734	13.2
137.13255	15.3
143.08583	8.0
145.10136	20.8
147.11687	11.1
149.13290	8.0
151.14830	19.0
157.10126	22.6
159.11742	22.9
161.13231	7.1
163.14931	7.8
171.11636	17.5
173.13223	22.8
175.14861	11.3
177.16409	18.5
183.11676	20.2
185.13295	18.7
189.16315	9.6
197.13319	11.6
199.14790	11.8
201.16347	8.5
211.14743	9.8
215.18044	9.9
216.46094	7.8
225.16325	9.7
227.17896	17.2
239.17915	17.3
241.19516	11.7
253.19662	16.5
255.21190	8.7
267.21182	14.1
269.22736	15.9
276.76584	10.1
301.21652	22.5
313.21683	17.6
327.23282	24.1
405.35315	42.3
461.62201	8.0
465.32916	100.0
465.37659	97.2
466.38120	12.7
494.93158	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	465.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.5
57.07074	5.9
58.46582	3.7
67.05500	12.2
69.07064	15.4
70.47447	10.6
79.05509	5.2
81.07052	31.5
83.08629	9.5
91.05472	9.3
93.07043	12.2
95.08605	45.0
97.10165	4.5
102.77147	4.0
105.07027	19.8
107.08594	32.2
109.10154	33.4
111.11729	5.0
117.06994	3.8
119.08598	37.3
121.10144	37.8
123.11702	17.9
124.66680	4.6
125.09652	4.6
131.08554	11.5
133.10164	28.4
135.11691	14.3
137.13277	6.3
141.24332	3.6
143.08548	5.5
145.10135	16.5
147.11742	22.7
149.13223	7.5
157.10133	7.7
159.11731	29.5
161.13283	20.8
169.10258	4.7
171.11711	20.4
173.13261	16.9
175.14830	21.6
177.16408	5.5
183.11629	5.6
185.13321	8.1
187.14839	16.5
189.16405	17.9
189.95616	4.2
191.17973	7.5
197.13310	6.0
199.14853	11.0
201.16360	8.4
203.18051	4.1
213.16331	13.9
225.16321	5.2
227.17978	10.6
241.19524	11.2
253.19484	5.1
255.21170	5.0
267.21161	9.3
295.24158	6.8
307.51932	4.3
309.25949	4.5
335.27280	6.0
337.42712	3.9
350.29028	4.1
405.35168	100.0
406.35464	10.1
465.37363	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	465.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	12.1
57.07084	5.5
60.55268	2.0
62.26748	2.0
64.05503	2.5
67.05518	17.3
69.07072	24.0
69.25493	13.5
79.05488	6.4
80.83301	2.2
81.07066	39.8
81.34237	2.4
83.08623	9.8
91.05484	8.0
93.07057	10.9
95.08608	52.2
97.10154	6.8
97.93343	2.5
105.07044	15.7
107.08598	23.7
109.10170	35.5
111.11728	7.2
119.08604	23.0
121.10152	28.9
123.11721	21.2
129.07066	2.4
131.08572	9.1
133.10147	38.0
135.11687	13.1
137.13271	9.2
142.07758	3.5
143.08575	12.7
143.09543	2.3
145.10141	18.4
147.11662	12.7
155.08548	3.8
156.09354	6.8
157.10144	21.6
159.11723	17.4
161.13254	9.7
169.10138	3.9
171.11697	19.1
173.13252	12.8
175.14906	5.8
177.16426	7.8
179.17987	4.5
183.11694	10.2
184.12453	3.3
185.13239	13.1
187.14839	8.5
189.16422	21.6
191.17998	10.1
197.13147	5.6
198.13925	3.9
199.14848	11.2
201.16393	6.4
203.17957	5.5
209.13365	2.7
211.14807	8.5
213.16409	14.0
215.17992	8.6
217.19374	3.8
225.16533	5.8
227.17973	18.4
229.19539	7.7
239.17987	6.6
241.19443	16.1
253.19511	9.2
255.20995	3.6
267.21097	11.2
269.22491	2.8
281.22760	2.7
295.24194	7.7
335.27536	3.2
337.28882	4.0
405.35172	100.0
406.35483	8.2
465.37250	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	27.0
57.07071	14.1
67.05509	21.9
69.07061	33.6
71.32507	10.4
75.78869	7.6
79.05508	11.1
81.07063	46.0
83.08627	18.5
89.06019	10.3
91.05484	17.0
93.07036	16.8
95.08620	71.1
100.77718	8.3
105.07033	27.0
106.24055	7.4
107.08601	36.4
109.10150	57.9
111.11736	16.9
119.08595	36.3
119.79005	8.1
121.10162	28.0
123.11764	24.0
131.08601	12.4
133.10161	41.3
135.11711	14.8
137.13293	12.7
143.08618	12.4
145.10159	27.3
147.11681	20.7
157.10149	25.5
159.11700	26.5
161.13191	15.7
171.11700	16.7
173.13252	19.3
175.14833	18.1
177.16412	11.2
185.13239	19.9
187.14801	10.6
189.16428	43.2
192.24263	7.6
194.28227	9.0
197.13277	11.8
199.14854	29.5
207.41142	7.6
213.16402	13.4
227.17932	14.9
239.17781	9.8
241.19621	17.4
267.21185	11.0
301.22006	7.8
313.21426	9.1
337.28903	26.5
340.41229	9.0
364.08994	8.7
405.35126	100.0
465.37396	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	11.0
57.06800	1.6
57.07066	8.3
67.05514	18.2
69.07079	22.2
71.08642	2.4
78.48095	1.9
79.05499	8.7
79.33928	1.4
81.07063	50.2
81.65638	1.5
83.08635	13.0
87.63961	1.4
91.05470	8.3
93.07055	25.0
94.09332	1.6
95.08616	68.8
97.10180	6.6
97.28419	1.7
105.07031	21.7
105.07661	2.1
107.08607	39.4
109.10164	39.5
109.83363	1.6
111.11719	7.8
116.53689	1.7
117.07011	2.4
119.08591	33.7
121.10159	34.9
121.11009	2.0
123.11718	21.2
129.07039	3.0
131.08586	14.0
133.10155	27.4
135.11699	18.1
137.13254	30.4
142.07809	1.7
143.08571	11.4
144.09431	2.2
145.10139	17.9
147.11684	13.9
149.13251	7.4
151.14842	11.3
153.53241	1.6
155.08604	3.3
156.09447	2.0
157.10175	18.9
159.11711	27.5
159.12979	2.2
161.13261	20.8
163.14880	5.7
169.10179	6.6
170.10916	3.0
171.11708	17.1
173.13272	33.5
175.14856	10.3
177.16388	29.6
183.11734	8.7
185.13239	14.0
186.14015	2.1
187.14839	10.4
189.16418	8.9
191.17966	8.7
196.12410	1.9
197.13283	11.1
199.14833	12.7
201.16464	4.9
203.18031	4.4
211.14851	8.7
212.15540	2.7
213.16402	8.6
214.17163	3.1
215.18091	8.4
217.19545	2.7
223.14864	3.0
224.15701	2.8
225.16496	6.2
227.17975	29.4
229.19516	16.0
231.21078	2.3
239.18056	6.3
241.19583	10.7
243.21065	2.2
245.22710	3.6
253.19638	6.1
255.21135	4.1
257.22748	2.1
259.24283	12.9
267.21143	19.2
269.22614	9.5
281.22760	5.6
283.24203	2.5
287.20117	7.0
289.21616	1.7
295.24304	6.9
309.25781	3.5
311.27527	2.5
321.25760	2.2
327.23312	5.8
335.27484	4.8
341.24792	2.6
349.28937	2.7
405.35211	49.7
406.35596	4.7
465.37363	100.0
466.37769	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	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30123	1.7
53.03941	3.1
54.73216	1.7
55.01866	5.6
55.05503	10.1
57.03430	2.0
65.03952	1.9
67.05510	23.6
69.03428	13.8
69.07070	26.4
71.01340	8.2
71.04995	13.5
79.05502	21.3
81.03413	6.9
81.07059	44.2
83.04982	12.8
83.08610	3.2
85.02905	11.8
85.06554	10.1
87.00824	5.6
89.02388	2.6
91.05476	21.4
93.07041	48.0
95.04969	66.6
95.08601	26.8
97.02872	3.6
97.06539	23.6
97.10168	2.1
99.04462	13.5
105.01854	2.0
105.07027	44.0
107.04988	5.0
107.08598	30.4
108.18800	2.0
109.02851	3.5
109.06517	25.6
109.10159	7.5
110.09730	2.0
111.08134	4.7
111.11723	5.8
113.05989	6.3
115.05455	2.6
117.07016	8.3
119.08569	33.1
121.06507	7.6
121.10146	27.7
123.11723	3.6
125.06005	17.6
125.09595	3.4
127.03909	5.3
127.07542	10.2
129.07024	4.7
130.07864	3.4
131.08559	27.7
133.06506	3.1
133.10127	12.0
135.08069	6.0
135.11713	18.0
137.06001	12.6
137.09680	3.0
137.13307	2.8
139.11176	14.2
142.07718	2.7
143.06967	10.3
143.08589	10.8
144.09369	5.0
145.06517	3.4
145.10124	68.2
145.11264	4.1
147.08015	5.4
147.11662	11.0
149.09688	4.4
151.07547	6.4
151.76990	2.5
154.07800	2.4
155.07031	9.3
155.08377	2.4
156.09373	4.3
157.10109	7.0
159.08131	4.7
159.11696	35.4
161.09656	4.3
161.13283	5.1
163.07455	2.5
163.11188	16.7
165.12769	7.8
169.10152	6.3
171.11710	5.6
173.09622	24.1
173.13254	5.2
175.14798	3.6
177.12732	3.1
181.12213	8.1
183.13824	13.1
185.13101	2.4
187.11179	39.3
187.14839	7.0
188.11601	3.0
189.12730	4.4
191.10652	21.7
194.35576	2.4
197.13246	4.1
199.14853	4.4
201.14865	5.8
201.16432	8.0
203.14233	4.7
205.12279	18.0
205.15848	2.0
205.51030	2.1
209.11649	11.0
211.14781	2.7
213.12650	2.2
215.10716	21.7
215.14265	6.3
217.15961	2.8
219.13846	2.8
228.83980	2.1
229.15875	4.0
233.11697	20.8
241.07034	2.3
251.12753	17.2
269.06531	11.4
269.13751	13.3
287.07608	8.3
287.14850	7.0
307.11798	3.2
317.10187	3.2
325.12759	10.4
331.11804	4.4
335.11301	14.3
343.13849	4.7
349.12827	9.0
353.12204	4.0
359.11188	6.4
367.13992	3.5
377.12231	23.3
395.13376	100.0
396.13715	5.5
403.29965	4.3
413.14417	40.5
414.14444	4.4
431.15268	9.2
449.30692	4.8
467.31564	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.2
55.01878	0.3
57.03442	0.3
61.02922	0.4
66.04721	0.3
69.03424	0.5
69.51086	0.1
70.06602	0.5
71.01353	0.2
72.08160	0.4
73.02921	3.5
75.78178	0.1
79.05498	0.6
81.03457	0.2
81.07056	0.2
84.08147	0.2
85.02907	1.6
86.09718	0.4
91.05476	0.4
94.04179	2.6
95.05019	0.2
97.02895	0.9
98.23347	0.4
98.97580	0.6
105.03337	0.2
107.04952	0.3
109.06524	0.2
110.07202	0.4
115.03941	0.8
116.98639	0.1
120.08121	1.6
122.03653	6.7
123.04408	0.5
127.03944	0.4
128.98557	0.2
129.10248	0.2
132.06613	0.2
133.04974	0.5
135.04396	0.2
136.07568	0.2
137.05978	100.0
138.06325	2.7
145.04959	0.6
149.02423	0.2
150.07603	0.4
151.03896	1.7
163.06015	0.3
167.07043	1.2
173.01224	0.2
177.05435	0.2
237.02834	0.4
259.08099	0.4
272.06509	0.2
293.09109	0.5
295.10275	0.5
327.34747	0.2
407.12271	1.4
466.26462	0.4
467.12802	0.3
467.19009	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	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	7.1
58.97912	3.3
67.05504	10.2
69.03426	12.2
69.06726	3.9
69.07066	23.8
69.59442	3.6
71.04993	16.2
77.04741	3.5
79.05503	23.6
81.03429	4.5
81.07059	37.6
83.04974	19.3
85.02901	14.4
85.06551	13.7
86.09733	5.6
91.05487	13.2
93.07056	36.5
95.04965	63.2
95.08618	17.5
97.02909	4.8
97.06535	23.0
98.22539	7.6
99.04453	12.2
105.07031	28.1
107.04942	7.2
107.08587	29.4
109.06524	28.7
109.10158	4.2
111.08076	5.1
113.06049	7.6
114.19470	3.5
119.08563	18.6
121.06503	7.5
121.10138	39.7
123.08102	5.7
125.06001	43.2
127.07568	17.9
129.06999	4.4
131.08601	22.5
133.06503	5.3
133.10173	7.1
135.11702	15.4
137.05974	16.3
139.07532	5.2
139.11168	11.3
143.07054	71.4
143.08282	6.6
145.10136	58.7
147.11664	5.0
149.09679	5.6
150.01944	3.7
151.07530	12.4
153.05412	4.6
155.07047	9.5
157.10060	4.2
159.08037	6.6
159.11736	18.1
161.09627	7.3
163.11215	22.5
169.10060	6.0
173.09624	16.0
181.12279	32.1
187.11185	32.3
189.12747	5.1
191.10652	36.1
199.13280	22.3
201.16232	4.4
205.12245	39.7
209.11729	52.7
215.10782	23.7
223.13388	7.7
233.11691	41.2
251.12831	60.6
269.13849	100.0
269.16623	6.9
270.14026	5.5
274.03159	3.5
287.14902	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01865	1.9
55.05510	0.9
57.03443	3.1
57.07067	1.4
60.47382	0.5
61.02929	2.3
67.05506	4.7
69.03432	8.2
69.07072	3.3
71.01360	0.8
71.04988	1.1
71.08907	0.5
71.09230	0.7
73.02919	11.6
79.05492	8.3
81.03427	1.6
81.07057	100.0
82.07399	2.1
83.05003	0.6
83.08619	0.6
85.02905	20.0
86.26674	0.5
87.04446	1.0
87.74241	0.4
91.03976	0.5
91.05476	1.5
92.02338	0.5
93.07056	1.9
95.04969	1.3
95.08607	18.0
97.02893	13.4
99.04455	0.9
103.03959	0.6
105.07048	1.8
107.08588	1.7
109.02902	2.1
109.10178	2.3
111.04451	0.4
115.03928	5.7
117.06997	0.6
119.08578	2.1
121.10096	0.7
127.03922	7.0
131.08601	1.4
133.04968	9.9
133.10158	1.3
133.18214	0.4
137.05997	0.6
137.13257	20.9
138.13576	0.7
143.08537	0.6
145.04962	8.3
145.10158	1.5
147.11700	0.8
149.13185	0.6
157.05038	0.5
157.10074	0.5
159.11682	1.2
161.13199	0.6
163.06015	4.9
171.11711	0.8
173.13295	0.6
179.10599	0.5
187.14890	1.2
193.05096	0.6
197.13225	0.7
199.15045	0.7
213.16486	0.8
217.07068	0.8
219.17308	0.4
223.05980	1.6
241.07130	1.7
259.08112	2.7
295.10474	1.3
347.51608	0.4
403.30063	0.5
421.30991	0.6
449.30185	0.7
467.32028	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	54.0
67.05514	15.2
69.07047	14.6
69.22099	25.5
69.22497	100.0
71.08641	29.0
72.82310	13.1
79.39962	13.6
81.07053	31.4
85.27162	13.4
89.06014	57.1
95.08588	17.8
98.98445	28.0
119.53239	14.7
138.95398	13.3
155.01071	39.9
282.25409	15.5
313.27286	62.6
332.85788	14.8
337.27258	23.7
467.21338	22.9
467.31351	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72181	0.8
53.03940	1.0
54.18599	0.9
55.05516	2.7
55.36390	1.0
57.07082	7.3
58.06607	1.0
65.03945	2.2
67.05499	3.9
69.03420	1.0
69.07068	3.8
69.21954	7.7
70.06597	18.0
71.08626	1.9
79.05492	2.0
81.07069	6.8
83.04998	1.0
83.08627	2.5
85.10164	1.1
88.07639	20.4
91.05502	2.5
93.07054	8.7
95.04974	1.5
95.08624	13.1
99.04457	1.5
101.06010	0.9
102.09184	16.1
105.07045	4.5
107.08598	11.6
109.06506	1.1
109.10156	7.2
117.07019	1.4
119.08577	6.9
121.10136	12.2
123.08110	1.3
123.11706	3.3
127.07569	1.4
132.10168	1.0
133.10129	6.2
135.08122	1.8
135.11714	9.4
137.09637	3.1
137.13281	2.5
139.03864	1.1
145.10118	4.8
146.11861	1.4
147.11710	4.7
149.02357	56.8
149.03429	3.2
149.09702	1.3
149.13268	2.6
150.02740	1.7
157.10147	1.4
159.11737	3.0
161.13261	3.2
163.11363	1.0
163.14833	1.5
173.13290	2.6
175.14888	3.5
187.14876	2.9
189.16431	3.1
191.17943	12.3
193.04984	61.0
194.05371	2.6
201.16408	2.0
213.16330	1.2
215.17990	2.0
229.19542	2.0
231.21092	4.2
237.07597	59.6
238.08028	2.4
251.18123	0.9
256.26364	49.8
257.22714	1.4
257.26764	3.2
271.24203	1.7
274.52151	1.0
300.29083	2.8
353.08643	0.9
385.31036	44.3
386.31363	3.2
402.32040	1.0
431.31772	4.7
445.48730	0.9
449.32538	2.6
466.31650	100.0
467.32272	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	466.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74678	3.6
57.07079	31.6
59.78479	3.4
67.05500	5.3
69.07088	7.2
71.08633	28.5
71.32533	4.4
72.88856	3.5
73.06551	5.9
85.10176	19.2
89.06034	100.0
89.06561	6.2
95.08624	3.7
97.10206	4.4
100.46241	3.8
133.08615	48.3
163.67976	3.3
168.04187	4.0
177.11261	9.0
239.14842	20.8
256.77383	3.7
449.38068	8.2
466.33337	7.5
467.35367	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	467.1888
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
55.93407	1.0
55.93651	0.7
62.73771	0.4
69.69994	1.9
70.02851	0.4
70.06461	1.1
72.08050	0.9
72.08364	0.5
72.93661	0.5
77.34643	0.4
84.04375	0.9
84.04817	0.5
85.02801	0.8
93.32497	0.5
93.33065	1.0
98.22675	0.8
102.05435	0.6
105.42469	0.6
109.65638	0.5
110.07040	0.9
116.35635	0.5
117.03255	0.8
120.07913	4.6
123.04314	0.6
129.10165	0.5
135.04248	1.2
136.07468	0.5
137.05797	4.2
138.06300	3.0
139.07404	0.8
145.02745	0.9
153.01701	0.7
163.03896	5.0
163.28566	0.6
177.05316	0.6
185.04202	2.6
192.11615	0.5
196.06963	0.6
201.09085	3.3
223.97742	0.7
224.91537	0.4
234.96893	0.6
237.12393	0.8
242.45363	0.4
251.97110	0.8
252.97765	0.8
287.12576	9.8
288.12216	1.4
304.09366	0.6
305.13583	72.9
306.13965	3.1
321.07736	0.5
390.00446	0.7
408.01620	1.3
450.17429	2.6
467.19232	100.0
468.19418	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	467.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86816	0.3
51.02386	0.3
53.00307	0.3
53.03947	2.7
55.01872	3.0
55.05509	1.9
57.03439	3.2
57.07079	1.3
59.05000	0.3
61.02925	0.9
65.03940	0.5
67.01836	0.2
67.05170	0.5
67.05506	5.7
68.99790	1.4
69.03430	100.0
69.07068	1.0
69.11463	0.5
69.11862	2.1
70.03758	1.4
70.85789	0.2
71.01355	0.7
71.04995	22.4
73.02921	1.6
77.03910	0.3
79.05499	3.8
81.03418	23.1
81.07055	4.0
83.01369	0.5
83.04971	0.9
83.08608	0.5
85.02906	21.7
85.06545	22.8
86.06863	0.4
87.00832	7.6
87.04457	0.7
91.05481	7.8
93.07047	4.6
95.04974	2.6
95.08607	2.9
97.02896	11.0
97.06542	1.0
98.04279	0.2
99.04455	6.4
101.02387	1.0
101.06026	0.5
103.03919	0.9
103.05471	0.5
105.01881	3.4
105.03387	0.3
105.07029	8.6
107.04940	0.7
107.08601	3.5
109.02882	18.0
109.06486	1.3
109.10163	1.9
110.03175	0.2
111.04488	0.4
111.08081	0.9
115.03947	0.7
115.05465	0.8
116.06236	0.5
117.01864	0.4
117.07027	2.4
119.08587	5.7
121.06492	1.8
121.10137	1.8
123.04446	0.3
123.08066	0.8
123.11715	0.5
125.09608	0.3
127.03916	22.0
128.04262	0.3
128.06209	0.8
129.01836	0.9
129.06990	2.5
130.07799	0.6
131.04910	0.4
131.08571	7.1
133.06480	1.3
133.10136	5.9
134.10504	0.3
135.08069	2.5
135.11784	0.6
137.09622	0.5
141.06963	1.2
142.07811	0.6
143.08562	2.0
144.05721	0.3
144.09343	0.3
145.04964	5.8
145.06476	1.3
145.10133	4.5
147.02899	0.7
147.08061	1.6
147.11731	1.4
149.09616	5.5
153.07019	0.4
155.08563	1.9
157.06584	0.3
157.10104	2.1
158.07306	0.4
159.02927	1.5
159.08063	4.3
159.11693	3.5
160.08510	0.3
161.09622	0.6
161.13263	1.5
163.11147	0.6
168.09370	0.7
169.10146	0.5
171.02933	0.7
171.08044	0.4
171.11674	0.8
172.08820	0.3
173.09641	1.3
173.13249	2.0
175.07538	0.3
175.11201	0.7
175.14792	0.5
177.09077	0.2
177.12744	0.3
177.16379	0.3
183.11703	1.7
185.09633	0.3
185.13309	0.5
187.06017	0.5
187.11089	0.3
187.14845	0.6
189.03961	0.7
189.12762	0.5
191.14360	0.8
197.09616	0.4
199.11246	0.4
199.14893	0.6
201.12732	4.9
201.16322	2.0
203.14290	0.5
213.03989	1.4
213.16307	0.3
217.15834	0.6
219.13805	40.5
219.17398	1.2
220.14172	1.7
231.04987	11.0
231.17426	0.3
232.05319	0.4
236.11975	0.3
243.13786	0.7
309.18439	0.6
327.19525	0.3
449.22073	0.3
467.18335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40873	0.3
53.00316	0.5
53.03948	2.9
55.01873	3.2
55.05520	1.6
57.03434	3.7
57.07079	1.5
61.02938	0.7
65.03923	0.4
65.44371	0.3
67.05505	6.1
68.99791	1.3
69.03430	100.0
69.07067	1.1
69.11673	0.3
69.30246	1.2
69.30666	0.6
70.03759	1.8
71.01348	0.9
71.04995	24.3
72.05347	0.4
73.02900	1.6
79.05494	3.5
81.03419	22.4
81.07048	2.0
82.03790	0.4
83.01350	0.6
83.04996	0.8
85.02907	17.8
85.06544	24.7
86.06874	0.5
87.00825	7.1
87.04461	0.6
88.55387	0.3
91.04936	0.2
91.05481	7.5
93.07041	3.3
95.04968	2.2
95.08610	2.1
97.02892	11.2
97.06514	0.8
99.04453	6.0
101.02383	0.9
103.03931	0.8
103.05480	0.6
105.01869	3.4
105.07034	7.2
107.04949	1.0
107.08601	2.5
109.02880	15.5
109.06522	1.0
109.10158	1.2
110.03240	0.4
111.08080	1.4
115.03968	0.6
115.05453	0.7
116.06250	0.5
117.05482	0.3
117.07018	3.6
119.08575	7.0
121.06505	1.3
121.10142	1.4
123.08073	0.9
127.03917	23.8
128.04274	0.4
128.06200	0.6
129.01819	0.8
129.07005	2.0
130.07869	0.5
131.04944	0.6
131.08568	7.3
131.09483	0.6
133.06482	1.4
133.10136	6.3
133.11066	0.6
135.08057	2.8
135.11736	0.6
137.06018	0.4
137.09628	0.4
141.06999	1.4
142.07790	1.0
143.08542	1.7
145.04968	6.4
145.06461	1.2
145.10130	4.3
147.02939	0.4
147.08026	1.7
147.11697	1.2
149.09625	6.0
155.08548	2.3
157.10138	2.2
158.07224	0.6
159.02907	1.1
159.08052	4.8
159.11708	3.0
161.09589	0.3
161.13251	0.9
168.09322	0.7
169.10187	0.5
171.02922	0.4
171.11674	0.7
173.09656	1.6
173.13278	2.7
175.11186	0.4
175.14810	0.7
177.12781	0.4
183.11703	2.2
185.13231	0.6
187.06013	0.7
187.14848	1.1
189.03998	0.5
189.12767	1.0
189.16405	0.7
191.14290	0.5
194.10878	0.3
199.11333	0.4
199.14774	0.7
201.12744	6.5
201.16431	0.9
202.13220	0.4
203.14331	1.3
204.15005	0.3
213.03983	1.4
213.16272	0.3
215.14357	0.9
217.15862	0.7
219.13808	44.2
219.17427	2.4
220.14175	2.5
231.05009	11.6
232.05304	0.4
243.13878	0.6
245.68979	0.3
249.06129	0.4
358.64874	0.3
403.29944	0.6
421.31134	0.8
449.30478	0.9
467.12845	0.3
467.18292	1.9
467.31583	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	467.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01881	2.1
55.05517	6.7
57.03439	4.2
57.07077	2.3
61.02923	1.6
65.03950	0.9
67.05501	11.7
68.59924	0.7
68.99803	1.9
69.03431	100.0
69.07064	5.8
70.03777	1.6
71.01321	0.8
71.04994	23.0
71.30805	0.9
71.31210	1.5
72.74746	0.7
73.02927	1.8
79.05495	8.8
81.03421	21.5
81.07063	13.3
81.44633	0.7
83.04987	2.8
83.08619	3.1
85.02421	1.4
85.02911	19.1
85.06545	24.8
87.00835	6.1
87.04494	0.9
91.05479	15.8
93.07042	14.0
95.04973	9.0
95.08611	21.9
97.02893	8.6
97.06528	3.2
99.04449	5.6
100.07619	0.8
100.11292	3.6
103.05480	0.9
105.01888	2.8
105.07038	24.8
105.07755	1.3
107.04941	1.1
107.08595	15.6
109.02888	14.4
109.06526	3.4
109.10153	7.2
111.08078	3.1
115.03957	1.1
115.05486	1.5
117.07011	6.3
119.08581	28.0
119.09431	1.5
120.08922	1.1
121.06523	5.0
121.10143	7.8
123.04420	1.2
123.08072	3.5
123.11743	1.7
125.09679	1.6
127.03912	18.4
128.06261	2.8
129.06993	5.5
130.07808	1.5
131.04979	0.9
131.08569	19.5
133.06512	2.1
133.10127	17.0
133.11058	1.4
135.08055	6.2
135.11681	3.9
137.05959	1.3
137.09621	1.7
137.13324	0.7
141.06989	2.0
142.07834	3.5
142.12303	0.9
143.08551	10.0
144.09340	1.3
145.05000	4.7
145.06448	2.8
145.10132	20.1
147.08052	3.7
147.11696	10.3
148.08505	0.8
149.05940	3.9
149.09618	9.4
149.13243	2.7
151.11310	1.0
155.08533	4.4
156.09373	2.3
157.10135	14.0
158.10918	0.7
159.02945	1.4
159.08075	5.5
159.11700	12.6
160.12091	0.8
161.09616	3.1
161.13237	7.2
163.07520	1.0
163.11162	1.0
163.14822	2.1
167.08499	1.1
169.10086	5.5
170.10983	1.0
171.08107	1.1
171.11682	6.2
172.12370	0.9
173.09650	3.1
173.13275	9.1
175.11215	2.5
175.14827	7.0
177.12741	2.1
179.08652	0.9
179.10634	0.8
179.14293	1.7
180.09250	0.9
181.10127	1.2
182.10977	1.8
182.15424	2.6
183.11699	4.4
185.09669	1.2
185.13235	5.8
187.05997	0.8
187.11191	1.6
187.14828	12.9
189.12761	3.0
189.16385	5.2
191.14352	2.2
191.18015	0.9
195.11618	1.5
197.13312	3.4
199.11253	0.9
199.14821	4.6
200.15350	1.1
201.12767	6.4
201.16393	8.7
203.14323	10.5
203.17947	1.8
205.15933	2.2
207.11801	1.1
209.13295	2.1
210.14890	2.0
211.14815	3.8
213.04131	1.0
213.16373	4.1
215.14319	7.5
215.17979	2.3
216.14679	0.8
217.15866	5.5
219.13803	43.9
219.17416	2.3
220.09668	1.1
220.14136	2.2
221.13344	1.1
221.15356	1.1
223.14722	1.3
225.16374	2.1
227.14316	1.9
227.17911	2.0
229.15869	4.2
231.04980	10.2
231.17455	1.3
233.15320	1.3
237.16539	1.1
239.18065	1.3
241.19699	1.2
243.17471	1.3
247.17035	1.4
251.18069	1.0
255.21478	0.8
257.19080	1.4
267.21280	0.8
269.18637	1.8
285.18716	0.8
287.05478	2.5
289.19397	0.9
309.21698	1.3
351.22928	1.0
385.28873	0.9
403.30136	5.6
405.31805	1.5
421.31015	6.1
423.32562	1.0
431.29245	4.4
449.30457	8.8
467.09393	1.4
467.18515	2.7
467.31500	27.1
468.31982	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	467.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.6
53.03959	16.8
55.01875	29.7
55.05521	18.1
57.03441	14.9
57.07090	3.6
59.05001	2.6
61.02935	14.2
65.03946	7.4
67.05510	36.2
68.01723	2.1
68.99794	30.7
69.03433	56.0
69.07063	9.0
70.72227	4.9
71.01371	2.5
71.04996	69.7
71.05368	4.9
73.02934	11.8
75.04449	2.2
79.05496	40.8
81.03423	59.0
81.07072	31.2
83.04987	15.7
83.08622	4.6
85.02914	100.0
85.06554	27.8
87.00839	44.9
87.04478	5.9
91.03969	4.9
91.05488	61.8
92.05833	3.2
93.03422	3.9
93.07058	32.7
95.04980	26.9
95.08614	16.3
97.02901	47.4
97.06529	20.3
98.92941	2.4
99.04476	22.2
100.11282	2.4
101.02368	2.1
101.06049	5.9
103.03979	10.7
103.05481	9.9
105.01868	26.6
105.03408	3.5
105.04553	3.7
105.07040	39.1
105.07735	3.0
107.04993	14.7
107.05661	2.9
107.08584	16.6
109.02879	47.9
109.06534	10.0
109.10137	5.2
111.04448	33.3
111.08108	8.0
113.87737	2.3
115.03979	4.5
115.05463	16.0
116.06274	5.2
117.01876	6.1
117.07027	31.8
119.04946	6.2
119.08576	23.1
119.99052	2.0
121.02872	7.7
121.06522	26.0
121.10164	7.5
123.04427	5.5
123.08088	7.6
125.06023	10.2
125.09627	2.3
127.03927	63.9
127.07538	2.6
128.06227	13.0
129.01884	9.9
129.07022	25.0
130.07805	3.4
131.04959	7.4
131.07669	4.0
131.08580	42.5
133.06493	15.8
133.10136	12.2
135.04466	3.6
135.08043	29.7
135.11694	2.7
136.92581	2.6
137.06020	7.3
137.09642	5.8
139.07535	5.2
141.06996	14.3
142.07799	7.1
143.08586	20.9
144.05754	2.1
145.04956	29.8
145.06497	19.8
145.10120	18.6
147.02887	4.4
147.04448	3.5
147.08038	19.5
147.11696	8.2
148.08804	2.3
149.06017	5.4
149.09665	7.6
149.13335	2.1
151.07579	8.5
151.11287	2.3
153.07019	6.3
154.07739	3.9
155.08571	23.5
157.06508	7.4
157.10168	13.9
158.07225	4.2
159.02898	24.3
159.08014	18.6
159.11737	9.1
160.05203	2.4
161.06006	4.0
161.09674	8.7
163.07558	23.9
163.11148	4.3
165.07047	7.9
165.09143	2.3
167.08624	7.6
169.06500	3.0
169.10144	9.3
171.08051	13.5
171.11705	6.7
173.06020	3.9
173.09612	22.4
173.13297	3.9
175.07610	10.2
175.11188	12.7
177.09131	8.9
179.08635	4.6
181.10173	6.6
182.07323	2.6
183.08104	9.6
183.11758	6.5
185.09657	9.1
185.13307	4.3
187.07533	11.3
187.11208	9.1
187.14827	4.5
189.09195	7.1
189.12766	3.3
191.08679	2.9
191.10664	6.5
191.14287	3.0
193.08641	2.7
195.08147	2.9
195.11687	4.8
197.09659	9.3
197.13290	4.6
199.11133	10.2
201.09143	10.0
201.12805	14.1
201.16255	2.4
203.10667	2.7
203.14355	8.4
205.08638	2.8
207.11809	3.1
207.13635	3.1
209.09779	3.0
211.11253	4.0
213.03940	2.5
213.09229	3.0
213.12782	8.3
215.10712	7.7
215.14371	6.4
217.12288	10.0
219.13800	33.7
225.09151	3.1
225.12828	8.1
227.10762	4.4
229.12468	4.8
231.04930	10.3
231.13847	9.8
233.15436	6.8
235.13219	3.2
237.14922	9.1
239.10898	2.2
241.12366	4.3
243.13747	13.8
247.13269	4.1
259.13446	4.3
261.14877	46.0
265.12222	2.3
273.14960	7.1
275.19949	5.4
285.14914	3.5
303.15985	9.9
309.14868	3.9
327.15921	7.4
333.20325	6.0
345.16968	9.3
363.18094	3.3
381.18933	3.0
405.19086	5.4
423.20175	10.3
431.16995	3.4
432.02524	2.7
441.36005	2.9
449.17853	10.2
449.30545	4.0
450.18475	2.7
462.41327	2.4
467.18912	62.3
467.31897	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	467.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	26.6
54.92311	5.3
55.01880	35.1
55.05508	19.9
57.03439	19.3
61.02942	18.8
65.03965	8.4
66.80659	5.1
67.05513	47.1
68.99802	29.3
69.03439	72.7
69.07072	13.4
69.89041	11.5
69.89434	12.7
71.04998	74.0
73.02916	11.8
79.05500	48.1
81.03429	65.6
81.07056	38.8
83.04988	20.7
83.08656	6.5
85.02912	100.0
85.06538	35.3
87.00835	43.3
91.05491	93.8
93.07052	47.9
95.04995	33.6
95.08621	35.7
97.02879	40.9
97.06557	21.9
99.04468	18.2
101.06018	6.6
103.03964	6.8
103.05480	17.7
105.01879	17.3
105.03413	5.9
105.07046	49.5
107.04987	27.2
107.08580	26.2
108.71288	5.0
109.02892	53.4
109.06544	24.3
109.10159	15.9
111.04456	50.3
111.08096	21.4
113.06005	5.2
115.05487	22.3
117.01864	5.4
117.07030	36.8
119.04989	10.2
119.08575	38.8
121.02867	9.9
121.06540	34.9
121.10159	16.3
123.04433	11.4
123.08076	14.6
125.06008	20.3
127.03911	55.4
127.07607	7.7
128.06226	10.3
129.01826	10.4
129.07027	31.5
130.07782	5.0
131.04929	11.2
131.08578	35.9
133.06549	13.4
133.10159	13.3
135.04468	8.5
135.08055	38.0
137.06020	17.8
137.09651	8.5
139.07581	14.5
141.06985	16.2
142.07794	12.0
143.08574	25.9
145.05022	16.9
145.06506	25.0
145.10168	23.3
147.02939	12.4
147.04361	9.5
147.08034	29.6
147.11671	12.7
149.02397	10.2
149.06010	10.8
149.09634	11.0
151.07550	13.1
153.06917	6.2
154.07785	9.9
155.08623	29.3
156.09346	8.1
157.06508	8.6
157.10164	16.1
159.02953	19.6
159.08098	15.6
159.11676	13.2
161.06033	10.3
161.09662	13.6
163.07567	38.6
163.11224	8.2
165.07123	8.7
165.09059	5.1
167.08624	8.2
169.10094	9.9
171.08061	9.8
171.11665	10.8
173.09682	24.7
173.13287	9.7
175.07542	16.0
175.11220	18.8
175.39975	5.5
177.09184	9.0
181.04956	6.3
181.08591	7.5
183.08125	7.9
183.11720	17.9
184.12120	9.5
185.09631	9.8
185.13297	8.5
187.07555	12.7
187.11130	11.6
189.03957	6.5
189.09151	7.5
189.12761	8.6
191.07040	10.2
191.10730	9.7
192.48343	6.1
193.10237	6.5
197.09523	5.9
199.11263	14.1
199.14864	6.0
201.09229	11.0
201.12698	10.3
215.10733	16.8
217.12305	21.4
219.13857	38.4
223.65112	5.9
231.04955	8.6
231.13841	10.2
237.14920	13.3
243.13789	11.4
245.15732	5.5
252.15207	6.6
261.14862	43.7
285.15039	7.4
303.16049	13.3
327.15979	11.5
334.40195	5.7
345.17023	17.7
423.20615	11.2
449.17981	10.2
467.19116	59.8
467.25739	9.9
467.32059	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	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55173	2.1
53.03948	10.4
55.01874	10.2
55.05500	12.8
57.03436	7.8
57.07082	4.8
61.02925	5.2
64.24104	1.8
65.03966	2.2
67.05506	25.3
68.99783	7.1
69.03431	100.0
69.07064	9.5
70.03735	2.5
70.74234	3.7
70.74569	2.1
71.01359	2.0
71.04993	29.5
73.02911	5.6
73.06577	1.7
79.05495	25.1
81.03416	34.1
81.07056	40.5
83.04992	8.1
85.02421	3.9
85.02906	48.6
85.06545	23.3
87.00835	21.5
87.04469	2.3
91.05476	33.0
93.07043	39.1
95.04970	19.7
95.08604	29.1
97.02893	29.7
97.06525	7.3
99.04464	13.1
101.02370	3.5
103.03973	2.5
103.05477	3.3
105.01855	12.2
105.07034	50.5
107.04967	5.5
107.08598	39.0
109.02888	24.9
109.06538	12.4
109.10139	15.5
111.04449	4.4
111.08077	4.0
113.02432	2.1
115.03955	4.5
115.05417	3.7
117.07027	13.0
119.08588	40.2
121.06480	11.2
121.10149	23.6
123.04409	5.0
123.08067	8.8
123.11723	5.6
125.09648	6.1
127.03919	38.4
127.07559	2.2
128.04231	2.0
128.06230	3.6
129.01839	4.4
129.07005	8.4
130.07816	3.5
131.08554	26.7
133.06467	5.7
133.10126	32.8
135.08069	8.1
135.11685	10.1
135.88715	2.0
137.06004	4.8
137.09602	9.2
141.06969	4.1
142.07777	6.9
143.08562	14.8
144.09341	2.6
145.04961	9.0
145.06512	2.8
145.10139	34.0
145.83830	1.9
147.08061	7.6
147.11702	14.5
149.06029	2.6
149.09578	13.6
149.13286	5.3
151.07613	3.8
151.11214	3.6
153.06947	2.2
155.08536	4.1
156.09296	2.1
157.10109	16.5
159.02922	5.7
159.08070	8.4
159.11684	30.8
161.09619	8.8
161.13269	15.6
163.11151	11.6
163.14856	3.9
167.10773	2.9
169.10117	6.5
171.07974	3.9
171.11710	9.2
173.09604	4.9
173.13245	12.7
175.11214	5.5
175.14818	4.8
177.12735	3.7
181.10139	2.0
181.12213	2.3
182.10878	3.4
183.11720	6.9
184.14183	2.0
185.09628	5.4
185.13264	8.8
187.11162	4.6
187.14827	8.0
189.03900	3.7
189.12820	3.7
189.16425	4.3
191.14203	2.4
191.17924	2.5
193.12123	2.6
195.11728	4.2
197.13243	3.7
199.11279	3.3
199.14816	7.7
201.12733	7.3
201.16402	22.1
203.10728	3.8
203.14371	5.3
203.17992	4.8
205.15800	2.2
211.14830	3.2
213.03954	2.8
213.12764	3.2
213.16434	4.9
213.33487	2.3
215.14423	4.7
215.17952	2.6
217.12137	2.3
217.15935	6.8
219.13840	29.2
219.17375	11.1
220.14133	2.3
225.16299	3.2
227.12674	2.6
229.15817	4.8
231.04994	13.3
231.13725	2.7
231.17487	4.2
243.17374	4.2
255.17384	2.4
259.13333	2.8
309.18442	4.3
327.19492	2.7
391.73071	2.1
394.21191	2.1
431.20529	2.2
431.29370	2.6
449.21521	5.6
467.22641	6.1
467.31409	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	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42918	1.2
52.50019	1.1
53.03936	7.8
53.44300	1.1
53.66039	1.2
55.01875	7.4
55.05507	7.7
57.03437	6.3
57.07074	3.2
61.02924	4.5
65.03943	2.9
67.05506	16.4
68.99807	3.1
69.03431	100.0
69.07069	7.9
70.03794	1.1
71.01359	1.3
71.04998	27.2
71.12562	1.3
71.31075	1.6
73.02914	4.0
79.05495	18.4
81.03419	30.1
81.07059	27.7
82.03793	1.7
82.07372	1.6
83.04977	6.1
83.08614	1.6
85.02908	40.8
85.06550	22.1
87.00838	14.2
88.16767	1.3
89.06078	1.4
91.03957	1.7
91.05479	19.6
93.07048	24.6
95.01331	1.4
95.04971	11.9
95.08610	20.8
97.02895	21.3
97.06539	6.9
97.07079	1.2
99.04473	11.2
99.08084	2.2
101.02377	2.6
103.03940	1.9
103.05494	2.5
105.01836	6.1
105.07034	31.4
107.04973	2.4
107.08591	20.1
109.02885	18.1
109.06512	5.8
109.10165	11.9
111.04495	2.4
111.08115	3.4
115.03935	2.9
115.05484	2.4
117.01848	1.7
117.07030	6.5
119.07783	1.7
119.08588	25.2
121.06482	6.9
121.10149	15.8
123.04450	2.8
123.08072	5.3
123.11721	5.0
125.06002	1.4
125.09604	2.6
127.03913	28.9
127.11203	2.1
127.74238	1.4
128.04294	1.5
128.06206	2.3
129.01848	3.9
129.07013	5.7
130.07747	2.6
131.08574	15.9
133.06491	2.2
133.10132	20.3
135.08087	6.7
135.11671	6.5
137.05965	2.8
137.09628	5.2
139.07480	1.4
141.07002	2.2
142.07794	4.7
143.08563	8.9
144.09412	1.3
145.04984	8.8
145.06454	2.5
145.10129	25.6
147.08037	3.9
147.11710	9.7
148.12111	1.2
149.09610	9.2
149.13310	1.4
151.11218	2.7
153.06950	2.3
155.08537	4.3
157.10126	10.6
158.10841	1.8
159.02921	3.8
159.08083	5.0
159.11681	17.5
161.09633	5.0
161.13280	9.0
163.07500	1.8
163.11188	4.0
163.14851	2.3
165.09178	1.6
167.08636	1.3
169.08827	1.5
169.10179	4.4
171.02757	1.9
171.11693	5.4
173.09647	3.5
173.13248	9.0
175.11182	3.9
175.14861	3.0
177.12842	2.3
181.10226	1.6
183.11717	3.2
184.14102	1.8
185.09566	1.8
185.13268	4.6
187.11232	2.7
187.14891	3.4
189.03989	2.3
189.12735	2.6
189.16377	3.4
191.10677	1.6
191.14235	1.8
191.17856	1.8
193.12195	1.8
195.11714	1.5
197.13281	1.7
199.11162	1.8
199.14813	6.0
201.12752	7.2
201.16396	13.4
203.10641	1.8
203.14345	3.9
203.17989	2.2
208.12717	1.2
211.14868	3.5
213.03940	2.3
213.16434	2.3
215.14365	2.8
217.12184	1.3
217.15948	3.4
219.11691	2.1
219.13795	32.4
219.17482	4.4
220.80870	1.5
227.12688	2.4
229.15880	3.1
231.04950	9.5
231.13739	1.6
231.17455	1.6
232.05446	1.3
241.15836	1.6
243.17393	1.8
261.18265	1.5
269.15454	1.2
305.14426	1.6
309.18365	2.0
327.19687	1.7
345.20749	1.8
363.21384	1.4
421.31073	2.5
449.21689	1.7
449.30704	1.7
467.22546	5.6
467.31750	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	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.7
55.01884	17.7
55.05512	22.0
57.03440	11.7
57.07072	5.7
59.05011	9.1
61.02936	14.0
61.20267	3.4
67.05512	40.5
68.99801	9.2
69.03434	57.6
69.07072	24.2
71.01343	3.7
71.05000	40.8
71.29157	6.2
73.02917	7.4
79.05492	42.2
81.03430	31.9
81.07060	95.4
83.04972	15.7
83.08129	3.3
83.08624	11.0
85.02909	72.3
85.06572	3.3
87.00832	30.0
91.05484	59.0
93.07047	71.8
95.04971	28.7
95.08616	48.1
97.02892	36.6
97.06551	11.5
99.04478	9.1
99.08094	7.9
100.11250	4.1
103.03954	8.3
103.05483	4.5
105.01871	8.2
105.07036	100.0
106.07366	2.8
107.04970	12.5
107.08591	71.0
109.02901	19.3
109.06556	16.8
109.10163	67.0
109.52213	3.1
111.04456	9.3
115.03928	15.1
115.05488	7.6
116.06226	4.3
117.01873	3.4
117.07041	24.3
119.04954	3.6
119.08585	78.3
121.06548	23.5
121.10148	43.3
123.04462	7.4
123.08085	13.8
123.11728	14.0
125.05875	3.3
125.09637	27.6
127.03907	27.6
127.07571	12.5
127.11222	22.6
128.06255	13.2
129.01860	14.6
129.07011	16.2
130.07829	8.4
131.08572	54.3
133.06506	6.8
133.10136	61.4
135.04398	3.0
135.08075	12.0
135.11694	20.8
137.06000	6.2
137.09628	19.1
137.13269	3.5
139.11168	3.6
140.78621	2.9
141.06963	5.8
141.09096	4.1
142.07738	19.4
143.08568	31.2
144.09322	6.8
145.05034	6.5
145.06506	11.3
145.10127	68.5
147.08069	14.3
147.11702	50.8
149.05960	3.7
149.09654	13.6
149.13287	9.7
151.11186	4.7
153.01820	5.0
155.08563	17.9
156.09352	12.9
157.10136	50.1
158.07338	3.6
158.10847	5.2
159.02908	8.5
159.08044	14.8
159.11696	63.6
161.09613	16.4
161.13271	22.7
163.07535	5.7
163.11256	5.4
163.14847	5.5
165.07042	6.0
165.09039	4.1
165.12805	4.7
167.08536	5.5
167.10669	3.8
168.09349	4.8
169.10124	14.8
171.02928	4.1
171.08043	7.9
171.11697	30.8
173.09650	10.8
173.13243	24.2
175.07607	4.3
175.11194	16.9
175.14789	15.0
181.10143	10.1
182.10948	3.3
182.15495	4.0
183.11702	12.6
185.09641	8.7
185.13264	15.0
187.11212	9.8
187.14885	14.0
189.04051	3.5
189.09081	8.8
189.12794	9.5
189.16422	9.2
191.08598	4.3
191.14374	4.5
191.17998	5.0
193.10303	4.4
193.15929	5.7
195.11731	13.2
197.09637	6.3
197.13322	11.0
199.11209	12.6
199.14865	13.2
201.04021	9.8
201.09105	4.4
201.12831	7.3
201.16379	26.5
203.10658	4.6
203.14394	9.6
203.17946	7.2
205.12347	5.1
205.15878	6.8
207.11853	4.1
209.13322	5.7
210.14880	4.0
211.11252	6.8
211.14880	12.0
213.12814	5.6
213.16446	14.2
215.14362	9.9
215.17819	6.7
217.12300	4.6
217.15849	18.1
219.17468	22.0
221.13254	6.2
223.11299	7.9
223.14835	5.3
225.12772	7.5
225.16360	3.9
227.18011	4.0
229.15930	13.8
231.17474	11.9
237.16354	5.2
239.14316	7.9
241.12239	8.4
241.15849	4.1
243.17424	18.3
245.15479	4.9
247.16916	5.2
255.17535	5.7
257.15567	4.2
259.16879	4.9
261.18570	13.9
273.18561	6.7
287.23682	3.9
302.96649	3.6
303.19730	3.1
309.18542	15.4
327.19513	25.2
339.14288	3.8
345.20667	10.0
363.21680	5.2
431.20749	12.8
431.29205	3.2
449.21896	17.6
449.30588	4.5
467.22955	22.0
467.31580	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84736	1.6
51.33953	1.8
55.05513	17.0
57.03443	11.8
57.07080	39.4
60.35684	2.1
65.03931	2.2
66.15802	1.9
67.05504	20.9
69.07069	26.9
71.04997	2.4
71.08634	26.7
79.05492	9.8
81.07056	36.7
83.04972	3.1
83.08611	17.0
85.06525	2.5
85.10184	17.8
91.05479	8.1
93.07027	12.8
95.04998	3.8
95.08606	47.8
97.06549	3.2
97.10184	8.9
97.87288	1.9
98.23426	5.7
98.98473	57.2
105.03391	2.5
105.07034	16.6
107.08604	22.5
109.06512	6.1
109.10162	27.4
111.11731	2.5
115.05455	2.6
117.07001	4.3
119.08579	18.4
121.06520	4.2
121.10146	15.9
123.08079	7.6
123.11694	15.0
125.13390	2.1
129.07019	5.0
131.08586	10.3
133.10127	16.3
135.08127	4.0
135.11682	9.5
136.99980	4.2
137.09700	3.0
137.13254	5.5
142.07779	2.0
143.08589	7.1
145.06514	2.4
145.10123	14.3
147.08089	2.7
147.11685	11.4
149.09631	4.0
149.13293	4.9
152.42690	1.8
155.01042	52.4
155.08578	1.9
157.06567	2.2
157.10094	9.6
159.08028	3.4
159.11719	12.5
161.09660	6.1
161.13252	7.1
163.07497	2.9
163.11188	3.2
163.14850	2.7
165.12798	2.2
169.10194	2.9
171.08031	5.1
171.11699	9.0
173.06035	2.4
173.09662	4.8
173.13289	6.9
175.11209	5.3
175.14867	4.5
177.12859	2.7
183.11751	5.7
185.09651	5.6
185.13312	7.1
187.07558	23.1
187.11230	5.4
187.14877	6.7
189.12744	4.1
189.16441	7.4
197.09785	2.3
197.13348	3.2
199.07448	2.4
199.14845	3.7
201.12704	2.6
201.16399	2.9
203.14354	3.8
203.18022	2.4
205.12225	3.8
205.15945	3.2
209.13197	2.7
211.11217	2.8
211.14864	2.8
213.16512	2.6
215.14395	6.9
217.15941	2.8
223.14847	3.8
229.04703	2.3
231.13896	3.1
233.15448	4.5
237.16380	2.6
239.23697	6.5
241.12193	3.6
245.15424	2.6
257.18948	2.6
265.15955	2.1
267.21115	2.4
281.18820	2.1
313.27350	100.0
314.27859	4.5
407.28967	3.8
407.33850	3.6
421.30948	4.9
431.29443	4.7
439.32077	5.4
449.26401	11.4
449.30856	8.6
467.31158	57.3
468.32016	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	467.3151
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03954	2.4
55.01888	2.7
55.05510	19.4
57.07072	5.5
59.04999	3.2
67.05511	28.1
69.03433	25.4
69.07066	19.3
70.06606	4.5
71.04988	13.4
71.31762	3.6
72.08147	2.7
79.05491	27.5
81.03432	9.0
81.07056	47.5
83.04980	12.6
83.08618	10.4
85.02909	14.4
85.06544	10.1
86.09715	5.9
91.05481	35.0
93.07043	51.6
95.04969	13.7
95.08605	60.9
96.08150	2.9
97.06551	10.4
97.10144	2.7
99.04490	3.3
99.08026	3.0
100.07613	3.9
100.11274	8.4
103.05470	3.4
105.07029	72.6
107.08592	69.6
107.09280	4.1
109.02891	6.4
109.06525	12.3
109.10165	28.7
111.04450	5.7
111.08089	9.3
114.09187	20.6
115.05426	5.1
117.07023	19.6
119.04938	3.2
119.08578	100.0
120.08115	3.8
121.06500	12.9
121.10144	32.6
123.08089	9.6
123.11731	8.3
125.09641	10.5
127.03929	5.1
128.06223	5.9
128.07079	4.0
129.06990	18.5
130.07790	8.0
131.08574	62.9
133.06490	4.9
133.10127	51.1
133.11046	3.9
135.02589	2.3
135.08037	15.4
135.11665	13.3
137.06006	9.6
137.09651	6.7
137.13255	3.9
141.06987	4.3
142.07751	15.2
143.08571	29.5
144.09367	5.8
145.10124	97.0
145.11259	4.8
146.10439	2.4
147.04465	2.8
147.08073	5.7
147.11671	36.7
149.05872	2.8
149.09608	9.5
149.13295	8.9
151.07494	3.3
151.11145	3.4
155.08572	12.5
156.09367	11.7
157.10121	52.7
158.10893	6.3
159.08104	7.0
159.11696	67.0
159.12979	4.0
160.12146	2.7
161.09572	11.4
161.13242	24.5
163.07552	7.3
163.11237	6.5
163.14876	4.8
167.06940	2.3
167.08545	4.2
168.09425	3.3
169.10085	16.9
169.12321	3.6
170.10887	15.9
171.08009	3.8
171.11676	37.1
172.12454	3.7
173.09691	5.3
173.13246	44.5
175.07564	3.4
175.11221	8.6
175.14793	20.1
177.05547	5.4
177.12718	3.8
177.16409	7.6
178.16855	2.8
181.04976	4.5
181.10101	3.2
182.10965	4.2
182.15378	11.9
183.11676	29.5
184.12355	2.4
185.13254	64.8
185.14775	4.6
186.13634	4.3
187.11214	3.6
187.14818	76.6
188.15172	3.6
189.12770	11.1
189.16348	17.7
191.14307	10.3
193.15742	4.4
195.11707	6.9
197.13269	14.9
198.10164	2.5
199.11241	3.9
199.14828	41.2
200.15150	2.7
201.12820	10.5
201.16377	47.4
202.16612	3.6
203.10753	2.8
203.14351	20.4
203.17987	5.7
205.15842	13.9
207.11769	4.5
209.13358	9.7
210.14977	11.7
211.14912	13.7
213.12823	6.5
213.16367	18.3
215.14394	6.6
215.18080	6.0
217.12286	9.5
217.15891	18.5
219.13806	15.8
219.17491	6.6
221.13423	4.5
223.14851	5.5
225.16412	4.4
227.14348	5.6
227.18005	7.0
229.16011	4.8
231.13943	3.4
231.17497	3.8
233.15315	3.0
235.13219	7.0
237.16508	5.1
239.17976	9.3
241.15631	2.3
241.19579	4.5
243.17178	4.0
245.15372	11.0
247.16956	3.0
249.12823	2.6
249.15906	2.1
251.17935	7.1
253.14304	5.7
253.19586	5.2
259.16992	3.5
263.18134	3.4
265.19519	2.4
267.21066	3.0
277.19708	3.2
290.57901	2.5
303.04984	6.3
304.05280	5.6
305.05276	12.1
307.04620	23.3
337.21378	5.1
340.26315	3.9
345.25912	3.9
347.27231	3.2
351.23135	2.7
354.23810	3.2
381.15298	3.0
385.29120	3.4
387.30606	4.9
403.29941	19.5
405.31747	14.9
421.31073	29.8
422.31021	3.8
423.16287	9.2
423.32443	5.3
431.29532	15.7
437.30945	2.9
439.31927	5.2
449.30536	42.9
450.30878	3.4
467.14972	7.5
467.19116	9.5
467.31760	79.1
468.12982	10.6
468.31992	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	467.3158
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.02388	1.1
52.13495	1.1
53.03939	1.9
55.05511	12.1
57.07091	1.4
65.03941	2.4
67.05505	21.3
69.03432	4.7
69.07071	13.7
69.22253	9.2
71.04972	2.3
77.03957	1.5
78.86418	1.1
79.05494	16.3
81.03430	4.4
81.07058	31.6
83.04973	3.7
83.08635	3.8
85.02896	3.0
85.06561	2.5
87.00849	1.5
91.05482	24.2
93.07047	30.0
95.04964	22.4
95.05550	1.6
95.08604	62.3
96.08946	2.6
97.02921	1.9
97.06541	4.4
97.10160	2.7
99.04436	1.4
99.08117	1.5
103.05486	3.0
105.07030	51.5
106.07368	1.2
107.07869	1.7
107.08593	32.8
107.09283	2.3
107.57001	1.3
108.08871	1.3
108.22021	1.2
109.06519	8.7
109.10150	16.1
110.10505	1.1
111.08084	2.4
113.09633	1.1
115.05431	3.1
117.07027	10.2
119.04953	1.6
119.08579	74.5
120.08873	2.2
121.06526	6.6
121.10139	23.7
123.08057	6.6
123.11701	4.1
125.09608	2.0
127.03934	1.7
128.06212	5.0
129.01848	1.6
129.07002	10.7
130.07767	2.3
131.08575	33.7
133.06508	3.3
133.10138	27.4
135.08093	8.3
135.11684	9.6
137.09619	5.3
138.56049	1.0
141.07008	3.6
142.07834	6.2
143.08559	22.7
144.09297	1.9
145.06508	2.3
145.10124	49.6
146.10416	1.3
147.08046	8.2
147.11690	18.3
149.06001	1.7
149.09642	5.2
149.13251	9.3
153.09029	1.3
155.08539	10.7
156.09332	4.6
157.10115	26.1
158.10852	2.7
158.15274	1.0
159.08080	4.8
159.11696	29.7
161.09607	8.6
161.13274	15.3
163.07527	2.5
163.11156	2.8
163.14819	4.5
167.08577	3.4
168.09320	1.6
169.10098	10.2
170.10840	3.0
171.11679	17.6
172.12395	1.9
173.09651	5.7
173.13257	23.7
175.11209	5.1
175.14816	18.9
177.12753	3.8
177.16420	4.4
179.08594	1.6
179.14346	3.5
181.10136	4.9
182.10951	6.3
183.11716	8.8
185.09608	1.8
185.13263	14.7
187.11208	4.0
187.14828	40.8
188.15102	1.9
189.12817	8.0
189.16388	12.5
191.14337	4.9
193.10190	2.0
194.10965	1.7
195.11760	3.8
196.12392	1.9
197.09688	1.6
197.13268	12.4
199.11192	2.5
199.14827	18.4
201.12714	6.2
201.16386	22.4
203.14314	34.3
203.17998	4.7
204.14606	1.9
205.15904	9.8
207.11696	3.0
209.13290	3.7
211.14827	11.6
213.12805	3.1
213.16388	12.7
215.14310	23.4
215.17972	4.0
217.15886	15.6
219.13785	2.7
219.17453	3.8
221.13350	2.5
221.15398	1.8
223.14807	4.2
225.16360	7.3
227.14392	3.7
227.17970	6.3
229.15852	14.9
229.19519	2.8
230.16226	1.7
231.17470	4.7
233.15363	5.2
235.14911	2.6
237.16386	3.2
239.17990	5.4
241.15897	2.3
241.19489	3.1
243.17421	3.2
245.15321	3.0
247.17033	3.2
249.16502	1.7
250.66934	1.4
251.18057	3.4
253.16003	1.9
253.19539	4.0
255.21271	1.7
257.18869	1.6
259.17084	1.7
259.20676	1.6
263.17993	1.8
265.19543	2.3
269.19022	1.5
277.19528	2.1
279.17337	1.6
279.21066	1.3
281.18915	1.6
281.22839	1.3
285.18607	2.0
291.21002	1.5
295.20947	1.3
309.18567	2.1
313.21884	1.7
325.21640	1.4
327.23224	1.6
351.23343	1.8
385.28888	5.8
387.30643	1.7
393.31116	1.6
403.29947	22.6
404.30276	1.7
405.31558	4.9
413.28354	1.4
421.30951	21.0
422.31430	1.9
423.32574	4.5
431.29510	11.7
432.29880	1.5
437.30505	1.5
449.30450	30.0
450.30719	3.4
457.86444	1.3
467.22668	3.9
467.31561	100.0
468.31839	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	467.3159
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03940	4.1
54.55938	1.4
55.01873	3.9
55.05510	12.0
56.05029	1.6
57.03439	2.3
57.07064	1.8
65.03939	3.9
67.05510	22.1
69.03429	9.0
69.07080	14.3
69.18639	12.2
69.18973	2.1
71.05000	3.7
71.08633	9.4
73.02929	2.5
75.72269	1.7
77.63165	1.4
79.05498	16.8
81.03429	5.0
81.07061	35.3
83.04990	5.1
83.08624	5.3
85.02898	8.1
85.06546	4.4
90.47547	1.4
91.05479	23.4
92.05800	1.5
93.07043	37.1
95.04973	31.3
95.05550	2.2
95.08607	52.9
96.08946	1.6
97.02888	3.6
97.06535	3.6
97.10171	2.0
99.08105	17.2
105.07030	49.8
107.04961	3.1
107.08595	38.3
109.02856	2.3
109.06544	8.4
109.10154	18.9
111.08095	4.6
114.09164	2.2
115.03906	1.7
115.05480	2.3
117.07027	11.2
119.08582	70.5
120.08900	2.4
121.06506	8.1
121.10136	21.6
123.08054	9.2
123.11709	4.5
125.09662	3.0
127.03952	3.3
128.06189	3.4
129.07018	10.7
129.12767	1.6
130.07838	3.3
131.08571	32.8
133.04951	1.8
133.06479	3.3
133.10138	28.4
135.08105	7.8
135.11717	9.3
137.05991	2.0
137.09656	3.7
141.07018	4.7
142.07802	7.7
143.08571	26.0
144.09364	2.6
145.06534	3.0
145.10132	50.3
146.99211	1.6
147.08064	8.8
147.11693	18.0
149.06085	2.0
149.09621	7.1
149.13278	5.8
155.08563	8.0
156.09369	4.1
157.10132	29.6
158.10809	2.5
159.08072	6.5
159.11702	29.4
161.09631	6.4
161.13251	20.3
163.07585	2.3
163.11183	3.0
163.14876	4.9
165.07156	2.1
165.12796	2.9
167.08582	2.2
169.10144	13.7
170.10904	3.0
171.11687	13.4
173.09677	5.3
173.13271	18.7
173.15428	5.7
175.11220	5.9
175.14845	18.0
177.09201	1.9
177.12791	4.8
177.16417	4.2
179.14302	2.4
181.10098	3.2
182.10976	3.7
183.11681	10.3
185.09634	2.0
185.13248	14.4
187.11189	3.0
187.14822	34.2
187.16374	2.9
189.12741	10.5
189.16379	12.1
191.14349	4.8
195.11768	6.4
196.12424	2.0
197.13261	14.2
198.13727	1.9
199.11252	2.6
199.14810	20.4
201.12794	4.6
201.16396	23.1
203.14311	26.3
203.17950	5.9
204.14603	2.2
205.15891	9.8
206.10716	1.7
207.11710	2.6
209.13260	5.3
211.14825	10.3
213.12816	2.8
213.16371	13.0
215.14320	18.4
215.17912	3.2
217.12268	2.4
217.15874	12.4
219.11732	2.1
219.13824	2.9
219.17525	3.3
221.13310	2.7
223.14845	3.7
225.16435	5.7
227.14386	2.2
227.17969	4.5
229.15930	10.6
229.19518	2.3
231.17471	6.1
233.15442	4.2
237.16464	3.9
238.12270	1.6
239.18033	4.7
241.15866	2.7
241.19548	2.6
243.17455	3.2
245.13260	1.8
245.15472	4.3
247.17039	4.5
249.16461	2.1
251.17918	2.1
253.19620	3.9
255.17490	2.1
255.21281	1.8
257.18973	2.1
263.18057	2.3
265.19626	2.8
267.17459	2.9
271.20590	1.6
277.19540	3.5
281.19220	2.5
285.18671	2.2
289.19446	1.7
305.22171	2.2
307.20682	1.5
307.24216	2.1
349.25571	1.8
375.30435	1.5
385.28857	4.6
401.76004	1.7
403.30087	14.6
404.30179	2.8
405.31662	5.8
413.28323	2.1
421.30991	19.3
423.32538	4.2
431.29489	10.7
432.29861	1.9
449.30457	27.5
450.30923	2.9
467.31589	100.0
468.31863	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	467.3156
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	2.2
55.05509	12.4
57.03428	3.2
57.07050	2.2
57.29588	1.3
65.03931	3.6
67.05507	23.0
69.03433	36.6
69.07070	13.1
70.06590	3.0
70.17446	4.3
71.05000	10.6
73.02918	2.0
79.05496	22.6
79.57938	1.5
81.03426	11.9
81.07056	32.6
83.04969	4.6
83.08614	4.9
85.02911	15.4
85.06543	7.5
86.09712	1.9
87.00836	3.5
91.04958	2.8
91.05486	28.0
93.06470	2.1
93.07049	35.9
95.04974	26.4
95.08611	60.8
97.02911	7.7
97.06519	5.6
97.10165	2.2
99.04461	5.1
100.11236	4.6
103.05446	3.3
105.01862	3.6
105.07032	48.9
107.04975	3.7
107.08601	41.5
109.02863	7.2
109.06533	9.6
109.10171	18.4
110.07145	1.7
111.04447	2.5
111.08098	7.8
115.05458	3.4
117.07024	13.8
117.76865	1.7
119.08584	82.1
120.08909	2.1
121.06509	9.5
121.10156	23.8
123.04431	1.8
123.08067	8.9
123.11703	5.1
125.09603	2.7
127.03893	12.0
128.06207	5.1
129.07013	9.4
130.07767	2.8
131.04915	2.2
131.08575	36.1
133.06604	2.1
133.10138	32.8
135.08055	6.8
135.11700	10.9
137.05980	3.4
137.09644	7.6
137.13272	1.9
139.07574	3.5
140.11279	1.6
141.06979	4.3
142.07829	8.1
142.42686	1.5
143.08572	23.4
144.09309	4.2
145.04950	5.3
145.10124	51.5
147.08057	11.4
147.11708	19.3
149.09656	8.4
149.13242	7.4
151.11176	2.5
154.07779	2.1
155.08560	10.8
156.09355	6.7
157.10126	27.0
157.11395	2.0
158.10887	3.6
159.08061	6.3
159.11687	37.9
160.12068	2.8
161.09651	9.9
161.13268	20.9
163.07524	2.6
163.11211	4.7
163.14822	4.4
165.09120	1.7
167.08566	3.9
168.09367	1.7
169.10124	15.9
170.10876	3.6
171.08104	2.0
171.11691	16.2
173.09567	3.1
173.13240	24.5
175.11234	6.2
175.14832	16.2
177.12733	3.7
177.16353	7.5
179.08647	2.1
179.14278	1.7
181.10164	5.8
182.10928	4.4
182.15421	3.3
183.11737	9.8
185.09695	2.5
185.13248	11.7
186.10359	1.8
187.11188	4.3
187.14816	38.5
189.12744	7.0
189.16415	11.1
191.14311	4.3
191.17955	2.2
193.10220	2.1
194.10966	1.6
195.11739	4.6
196.12474	2.3
197.13274	14.8
199.14844	20.3
199.99130	1.5
201.12753	6.1
201.16389	25.9
202.16560	1.7
203.14333	32.4
203.17990	4.7
205.15849	8.9
207.11658	1.8
209.13231	4.0
210.14934	2.7
211.14787	9.5
213.12773	3.3
213.16373	12.9
215.14336	21.4
217.15884	16.7
219.13872	13.3
219.17419	20.3
220.14366	1.6
220.17807	2.4
221.13274	3.7
221.15262	1.9
223.14799	5.8
225.16432	5.9
227.14317	3.4
227.17909	3.8
229.15907	15.5
231.04840	3.6
231.13719	1.9
231.17488	6.4
233.13239	2.3
233.15367	4.7
237.16504	3.7
239.18005	5.6
241.15851	2.1
241.19414	3.4
243.17581	4.4
247.17094	3.1
251.17984	4.2
253.19547	3.9
255.17278	2.7
255.21126	1.9
257.19067	2.5
263.18079	1.9
275.17923	1.9
277.19647	2.0
281.19037	2.1
287.05573	3.1
305.22357	1.9
309.18588	2.1
309.22177	2.3
329.22510	2.3
375.30423	1.7
382.23062	1.6
385.29010	4.4
403.30045	15.6
404.29822	1.6
405.31726	3.1
413.28464	3.5
421.30997	16.7
423.32697	4.8
431.29480	10.0
449.21252	3.2
449.24228	2.1
449.30463	28.1
450.30933	2.9
467.18616	19.0
467.31592	100.0
468.32062	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01864	2.4
55.05509	9.6
57.07075	2.6
61.02917	1.3
65.03943	2.5
66.04734	0.7
67.05503	20.5
68.99792	1.3
69.03433	7.8
69.07067	11.4
71.04989	2.9
77.03930	1.6
79.05488	16.3
80.05827	0.8
81.03417	5.4
81.07056	32.5
83.05001	4.1
83.08625	4.3
85.02915	4.0
85.06525	1.4
87.00849	2.4
91.05477	27.5
93.06571	0.4
93.07045	30.0
95.04972	24.0
95.08607	62.0
96.08950	1.6
97.02896	1.3
97.06504	4.5
97.10179	2.3
99.04462	1.1
99.08073	0.9
103.05466	1.5
105.01867	0.8
105.04514	1.1
105.07032	47.8
106.07351	0.9
107.04967	2.6
107.08595	36.5
107.97181	0.8
108.08952	1.1
109.02909	2.7
109.06514	7.8
109.10151	16.0
111.04447	1.4
111.08078	4.3
115.05441	2.1
116.06248	1.3
117.07030	10.7
119.04949	1.2
119.08581	74.8
120.08899	1.3
121.06509	9.1
121.10143	23.0
123.04424	1.2
123.08073	7.5
123.11720	5.0
125.05989	1.0
125.09621	1.7
127.03896	5.4
128.06210	6.1
129.01857	1.7
129.07002	10.3
130.07803	3.4
131.08569	32.7
133.06500	3.2
133.10129	30.2
135.08032	6.5
135.11690	10.1
137.05943	1.1
137.09586	5.0
137.13289	1.4
137.31195	0.7
139.07579	1.5
139.11195	1.2
141.05464	1.0
141.06996	4.5
142.07771	8.1
143.08556	21.9
144.09386	3.8
145.05305	0.6
145.06509	2.9
145.10124	44.7
146.10625	1.3
147.08052	8.4
147.11684	17.0
149.05995	0.9
149.09610	5.8
149.13266	6.4
151.07556	1.2
151.11176	1.7
153.06956	0.8
154.07803	1.7
155.08545	10.3
156.09361	5.4
157.10127	27.2
158.07281	0.8
158.10878	2.6
159.02893	0.9
159.08034	6.1
159.11688	29.2
161.06061	0.8
161.09616	8.6
161.13272	16.2
161.14568	1.6
163.07529	1.8
163.11208	4.0
163.14827	7.4
165.07065	1.3
165.09116	1.5
165.12706	0.8
167.08572	3.2
168.09378	2.1
169.10136	13.0
170.10921	2.5
171.02765	0.7
171.11687	16.7
171.13057	1.2
172.12289	1.5
173.09610	5.0
173.13263	21.5
175.11279	5.6
175.14822	16.6
177.09146	1.5
177.12772	2.8
177.16348	3.6
179.08600	1.3
179.10736	1.3
179.14310	2.3
180.09262	1.1
181.10107	4.4
182.10851	3.5
183.11720	10.0
184.12415	2.0
185.09676	2.1
185.13274	13.2
186.13976	0.8
187.11237	3.9
187.14819	31.8
188.15218	1.7
189.09134	0.8
189.12776	7.0
189.14548	1.1
189.16382	10.2
191.10623	1.4
191.14323	4.9
191.17981	3.0
193.10150	2.0
194.10887	0.8
195.11636	3.9
196.12355	1.4
197.13225	10.5
199.11244	1.7
199.14821	16.2
200.15309	0.9
201.12743	6.7
201.16391	21.9
202.16829	1.2
203.14310	29.0
203.17926	4.3
204.14679	1.9
205.10129	0.9
205.15868	8.6
207.11700	3.3
207.13635	1.1
209.13196	4.5
211.11153	1.4
211.14807	10.4
212.15421	1.0
213.12810	3.0
213.16379	9.7
214.16820	1.1
215.14311	20.0
215.17622	3.6
216.14717	1.3
217.15880	14.5
219.11803	1.5
219.13864	3.2
219.17395	4.6
221.13414	1.4
221.15347	1.7
222.13914	0.7
222.98013	0.7
223.14798	4.3
225.16379	5.1
227.14331	2.6
227.17952	4.9
229.15860	11.0
229.19539	1.8
230.16306	1.2
231.13858	1.1
231.17459	5.0
231.21066	0.9
233.13191	1.6
233.15437	4.4
235.14883	1.9
237.16435	3.6
239.14287	1.0
239.17960	5.0
241.15901	2.1
241.19563	2.8
243.17490	3.0
245.15417	3.0
245.19095	1.7
247.16930	4.1
251.17996	2.8
253.15761	1.3
253.19473	4.5
255.17474	1.5
255.21135	0.8
257.19113	1.9
259.17032	1.6
261.16278	0.9
263.17975	2.5
265.19531	2.4
267.21112	1.8
273.18613	1.0
277.19489	2.1
281.22635	1.7
283.20410	1.1
285.18613	1.0
287.20230	0.8
291.21194	1.3
295.20425	0.8
303.21103	1.4
305.22568	1.0
307.24323	1.1
308.24948	0.8
309.18457	1.2
311.19614	0.9
317.22821	1.3
319.24112	1.0
327.23050	0.9
331.24338	1.1
333.22351	0.9
345.25702	1.2
347.23694	1.1
353.24805	0.9
369.24622	1.0
375.30371	1.2
385.28973	3.3
387.30551	1.5
389.28336	1.1
393.31573	1.1
403.29932	13.6
404.30362	1.6
405.31924	3.4
413.28662	1.4
421.31036	14.8
422.31329	1.9
423.32565	3.2
431.29465	7.9
437.30499	1.3
439.32141	1.1
449.30478	21.0
450.31079	1.6
467.31573	100.0
468.31906	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	467.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01868	1.3
55.05512	7.8
57.07075	1.3
62.83731	1.1
65.03945	2.5
67.05509	18.9
69.03435	4.8
69.07070	12.5
70.69337	2.3
71.04974	1.7
79.05499	13.5
81.03416	2.7
81.07061	29.4
82.28717	1.2
83.04975	3.4
83.08624	3.8
85.02917	2.2
85.76550	1.2
91.05482	25.0
93.07042	24.9
95.04969	22.3
95.08606	54.4
97.06542	4.6
99.08077	1.7
103.05464	2.3
105.04541	1.4
105.07034	47.7
107.04938	2.2
107.07863	1.8
107.08592	32.9
109.06522	6.7
109.10165	16.1
111.08109	2.2
115.05453	3.3
116.06237	2.1
117.07027	10.9
119.08582	66.2
120.08894	2.1
121.06530	7.4
121.10160	19.3
123.08073	7.2
123.11720	4.5
125.09675	1.5
127.03900	1.7
128.06236	3.7
129.07011	9.0
130.07790	2.3
131.08571	28.4
133.06494	2.1
133.10135	25.6
135.08121	7.9
135.11707	8.1
137.09622	3.2
137.13188	2.0
141.07001	3.1
142.07800	7.3
143.08559	24.2
144.09306	4.0
145.06442	2.1
145.10123	45.4
146.10529	1.9
147.08020	7.0
147.11687	15.8
148.11909	1.2
149.09644	5.3
149.13281	4.4
151.07619	1.3
154.07826	1.8
155.08540	10.7
156.09378	6.1
157.10135	27.6
158.10857	2.2
159.08086	3.5
159.11694	26.8
161.09589	7.1
161.13242	16.2
163.07587	2.7
163.11229	3.4
163.14819	5.5
167.08594	4.2
168.09329	3.4
169.10139	11.6
170.10890	4.7
171.11694	16.5
172.12508	2.1
173.09586	5.4
173.13271	17.6
175.11221	3.8
175.14822	15.1
177.09013	1.5
177.12756	2.9
177.16397	4.1
179.14339	2.4
180.09340	1.6
181.10152	4.5
182.10942	5.3
183.11676	9.9
184.12505	1.6
185.13284	14.0
187.11244	3.5
187.14830	36.3
188.15213	2.5
189.12782	9.7
189.16393	11.5
191.14299	2.9
193.10107	2.9
195.11711	5.2
197.13260	10.9
198.13837	1.4
199.14825	16.2
201.11176	1.4
201.12724	5.5
201.16408	20.9
202.16750	1.9
203.14304	35.3
203.17729	5.4
204.14734	1.2
205.15895	7.6
207.11697	1.5
209.13281	4.6
211.14832	10.4
213.12807	3.2
213.16376	10.3
215.14333	21.0
215.17958	3.4
217.15884	12.8
219.11732	2.2
219.13780	2.9
219.17485	3.7
221.13353	2.1
223.14868	4.8
225.16386	6.7
226.16571	1.4
227.14362	4.0
227.17981	5.1
229.15916	11.8
229.19508	3.1
231.13702	1.4
231.17505	3.9
233.13399	1.8
233.15501	4.1
235.14804	1.9
237.16370	2.6
239.14290	1.7
239.17955	5.0
241.19545	2.7
243.17439	3.5
245.15414	3.3
247.16965	4.2
251.17987	3.5
253.19508	3.2
257.19022	1.9
263.17944	1.5
265.16330	1.3
265.19470	3.1
273.18594	2.1
277.19604	1.7
279.17511	1.6
279.21201	3.2
281.19165	1.7
281.22421	1.3
285.18442	2.0
289.19608	2.4
291.21249	1.7
303.20969	1.8
305.22726	2.0
307.24237	1.9
309.22128	2.0
321.22266	1.8
329.22708	2.0
351.23077	1.6
353.24963	1.8
375.30438	2.0
385.28851	4.8
387.30573	1.7
403.29950	18.3
404.30264	2.0
405.31708	3.8
421.31027	20.1
421.94455	1.4
422.31284	2.8
423.32794	5.4
431.29434	9.2
449.30576	27.7
450.30945	3.8
467.31555	100.0
468.31949	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	467.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.45071	1.1
55.05518	8.0
57.07078	2.6
65.03938	3.8
67.05513	17.4
69.03431	3.3
69.07075	12.9
70.58086	1.7
70.58404	1.6
79.05493	17.5
81.03394	2.1
81.07061	27.0
83.04971	3.4
83.08612	4.2
91.05485	23.2
93.06468	2.1
93.07049	32.5
95.04970	22.6
95.08611	56.9
96.08954	1.6
97.06539	5.0
97.10142	1.4
103.05437	1.3
105.07033	46.2
106.07334	1.3
107.04948	2.4
107.08598	38.3
109.06539	6.4
109.10165	15.5
111.08079	2.4
115.05441	2.9
117.07026	10.6
119.05013	1.4
119.08584	70.8
120.08946	1.7
121.06512	6.7
121.10148	21.6
121.14998	1.5
123.08058	6.3
123.11700	4.8
128.06227	4.9
129.07030	10.8
130.07779	3.2
131.08575	39.0
133.06506	3.4
133.10144	28.1
135.08055	7.0
135.11722	9.2
137.09625	3.4
141.07048	3.3
142.07794	9.4
143.08566	21.3
144.09323	2.9
145.06470	2.5
145.10123	46.2
146.10658	1.4
147.08061	10.5
147.11673	16.9
149.05956	1.4
149.09633	5.7
149.13277	6.7
153.09053	1.2
154.07771	1.8
155.08578	11.5
156.09349	5.9
157.10133	30.2
158.10841	3.3
159.08035	4.1
159.11699	32.5
161.09642	9.5
161.13252	17.7
163.07526	1.6
163.11197	3.5
163.14827	5.2
165.09145	1.4
165.12781	1.3
167.08583	4.1
168.09377	2.4
169.10127	12.5
170.10828	2.5
171.11682	17.5
172.12369	1.5
173.09631	5.0
173.13268	20.4
175.11180	2.7
175.14844	17.7
177.12755	3.0
177.16403	5.0
179.14354	1.3
181.10130	3.6
182.10892	3.3
182.15561	1.4
183.11717	11.1
184.12427	2.2
185.13283	14.7
187.11240	3.3
187.14819	41.1
188.15274	1.6
189.12796	10.4
189.14787	1.9
189.16351	12.6
191.14375	3.7
193.10139	1.6
195.11703	4.2
196.12410	1.9
197.13295	11.0
198.13919	2.1
199.11270	2.9
199.14815	17.8
201.12703	8.9
201.16383	22.9
202.16730	1.6
202.88034	1.3
203.14304	29.9
203.17984	3.9
204.14734	2.1
205.10138	1.8
205.15866	12.9
207.11688	3.4
207.13872	1.4
208.12428	1.3
209.13275	5.8
211.14816	9.7
213.12785	3.2
213.16371	11.5
215.14330	21.2
215.17941	4.1
217.15898	14.8
219.11749	1.7
219.13815	2.7
219.17467	3.4
221.13318	2.3
223.14848	4.9
225.16351	6.2
227.14313	2.9
227.17950	5.8
229.15901	13.1
229.19476	2.8
231.13966	2.4
231.17502	5.3
233.13251	2.4
233.15373	5.8
235.14786	2.8
237.16422	4.3
239.17950	5.2
241.15973	2.9
241.19554	4.0
243.17375	2.3
245.15404	3.6
245.19096	2.1
247.14705	1.4
247.16968	3.6
249.16487	2.0
251.18025	4.2
253.19518	4.1
255.17471	1.5
257.19064	3.4
261.16467	2.4
263.18201	1.6
273.18628	2.2
277.19595	1.7
281.18918	1.8
289.19620	1.8
291.21219	1.9
293.18912	1.2
303.21115	1.3
307.20563	1.4
325.21594	1.6
325.25165	1.8
343.24158	1.6
344.24701	1.3
353.24869	1.4
369.24057	1.4
375.30563	1.6
385.28857	5.2
403.29993	18.0
404.30374	2.7
405.31607	4.4
421.31061	17.8
422.31329	3.8
423.32602	4.5
431.29559	8.9
449.30463	26.1
450.30771	3.2
467.31580	100.0
468.31891	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	467.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49400	1.2
53.03939	5.4
55.01873	4.1
55.05517	13.7
57.03435	1.6
57.07073	2.2
58.23211	1.2
61.02903	1.3
65.03954	3.6
67.05510	25.6
69.03426	17.5
69.07074	16.2
69.12247	8.9
70.06590	1.6
71.04992	11.7
73.02943	2.5
79.05494	18.8
81.03428	9.8
81.07057	34.8
83.04980	6.6
83.08630	4.4
85.02891	9.9
85.06554	6.0
87.00829	4.1
89.07047	1.1
91.05483	30.9
92.05808	2.1
93.06467	1.8
93.07050	35.1
94.07399	1.3
95.04969	27.9
95.08607	58.2
96.08932	2.4
97.02878	3.2
97.06545	5.0
97.10174	2.3
99.04469	3.1
103.05502	3.0
105.01833	1.9
105.07037	54.9
106.07382	1.4
107.04939	2.9
107.08594	37.6
109.02874	8.2
109.06544	8.3
109.10160	15.5
111.04457	1.3
111.08086	2.9
115.05471	3.8
116.06275	1.6
117.07023	15.5
119.08582	77.0
120.08907	2.2
121.06532	9.3
121.10146	25.0
123.08067	7.9
123.11705	4.9
125.06051	1.7
125.09662	2.1
127.03916	8.7
128.06186	6.6
129.07002	11.8
130.07806	2.4
131.08575	37.6
133.06488	5.5
133.10126	29.3
135.08063	10.9
135.11682	8.9
137.06027	4.2
137.09616	6.0
137.13190	1.7
139.07529	2.8
141.06985	6.5
142.07767	8.1
143.08560	26.1
144.09360	3.7
145.05013	2.2
145.06496	5.0
145.10124	53.6
146.10481	1.9
147.08076	10.1
147.11693	19.6
149.05991	2.3
149.09593	7.8
149.13246	8.0
151.07555	2.4
153.09070	1.2
154.07831	1.9
155.08580	10.1
156.09344	5.5
157.06529	1.6
157.10123	29.3
157.21423	1.3
158.10838	3.0
159.02942	1.7
159.08081	5.2
159.11693	31.7
160.08704	1.4
160.12056	1.3
161.09645	9.3
161.13261	19.9
163.07579	3.3
163.11224	2.7
163.14836	6.1
165.09157	1.5
167.07045	2.2
167.08554	3.4
168.09395	2.7
169.10161	13.6
170.10847	2.7
171.08089	1.8
171.11685	17.6
172.12444	2.2
173.09610	7.0
173.13257	20.9
175.07538	1.7
175.11285	3.3
175.14818	21.2
177.09193	1.7
177.12782	4.3
177.16350	6.4
179.08607	2.0
179.14314	3.2
181.10123	3.9
182.10977	3.7
183.11679	10.3
185.09666	2.6
185.13246	15.5
187.11237	3.5
187.14815	39.7
189.12727	9.2
189.16365	12.0
191.14339	4.4
193.10144	1.8
195.11740	6.4
196.12584	1.8
197.13229	13.3
199.11261	2.4
199.14841	19.3
200.15298	1.3
201.12778	7.5
201.16394	27.3
202.16837	1.5
203.14319	30.7
203.18047	4.0
205.12129	1.5
205.15930	7.5
207.11861	1.8
209.13248	3.4
211.14821	9.9
213.12805	3.7
213.16379	12.2
215.14334	20.9
215.17973	5.6
217.15866	14.3
219.13806	7.0
219.17479	4.6
221.13237	3.9
221.15414	2.1
223.14804	4.1
225.12698	1.5
225.16501	5.2
227.14345	4.8
227.18013	5.6
229.15901	11.3
229.19458	3.0
231.13795	3.6
231.17519	7.9
233.13376	1.6
233.15305	6.2
235.14864	2.0
237.16400	3.7
239.18028	5.7
241.15816	2.4
241.19624	3.2
243.17519	4.0
245.15404	3.2
245.19180	1.7
247.17108	2.7
249.16559	2.0
251.18034	4.2
253.19542	4.7
255.17560	1.9
257.18915	1.9
265.19406	2.8
267.17407	2.2
269.22232	1.3
271.20435	1.7
277.19553	2.2
279.21353	2.0
289.19498	1.6
291.21188	2.0
299.20230	2.3
305.19104	1.5
307.20819	1.8
309.22061	1.7
343.24368	1.4
385.28699	3.7
403.30002	15.1
404.30051	2.3
405.31619	5.0
413.28909	1.8
421.25681	1.4
421.31012	17.4
422.31403	1.8
423.32547	4.2
431.29471	10.4
437.30350	1.7
449.30533	24.0
450.30753	2.1
467.31598	100.0
468.31784	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	467.3498
Annotation	Vitamin K1 oxide
Peak:m/z	Relative Intensity
53.64481	0.6
55.05514	1.2
56.30141	0.6
57.07077	0.8
67.05492	1.3
69.07075	0.8
70.69715	1.5
81.07032	0.8
81.99821	0.6
86.66458	0.7
89.06058	1.1
91.05486	6.3
93.07057	0.8
95.08621	1.8
103.57352	0.7
105.07054	2.8
119.08564	0.9
121.10180	1.2
124.93827	1.8
133.08598	1.1
133.10130	14.0
145.10104	1.0
147.08083	1.1
156.96414	2.1
313.27557	0.8
321.22855	2.4
400.69455	0.8
435.18872	0.9
455.96591	0.7
467.21744	4.1
467.35086	100.0
468.35428	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	467.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.7
57.07081	9.3
60.15486	1.8
63.88213	1.9
67.05175	2.9
67.05506	37.2
69.06723	2.5
69.07067	27.7
69.34330	13.8
71.08624	5.4
79.05491	11.2
81.07056	42.8
83.08630	13.9
85.10208	2.9
86.02338	1.9
89.06038	4.3
89.31395	2.4
91.05468	12.1
93.07045	33.9
95.05009	3.5
95.08609	85.6
96.08936	2.3
97.10174	6.5
98.23395	3.5
105.07034	27.7
107.07858	3.1
107.08591	56.1
109.10161	76.0
110.10493	2.7
111.11739	8.0
117.07034	3.0
119.08582	46.7
121.10145	54.7
123.11710	24.1
128.93433	2.2
131.08559	5.4
133.08592	3.6
133.10133	27.1
135.11694	40.1
137.13239	9.3
145.10107	11.2
147.11690	41.5
149.13257	22.9
149.14333	2.6
151.14789	2.1
154.59631	1.7
159.11679	15.5
161.13257	28.2
163.14832	18.2
165.16618	2.4
173.11810	3.8
173.13293	7.6
175.14851	17.0
177.16389	14.7
179.17798	2.1
179.44720	1.8
185.61162	2.1
187.14839	12.5
189.16391	70.9
190.16704	4.8
191.17949	100.0
192.18236	4.8
201.16367	12.9
203.17955	53.9
205.19521	9.5
215.17949	25.9
216.18184	2.7
217.19524	46.0
217.21492	3.8
218.19878	4.4
219.21104	8.3
229.19519	6.0
231.21010	5.6
241.19547	3.2
243.21190	9.7
245.22624	17.7
249.18405	3.9
257.22543	2.8
259.24170	4.2
269.22638	5.1
271.24380	2.5
283.17538	2.8
283.24155	2.4
285.25784	3.6
297.25760	3.8
309.10876	2.0
311.27332	4.7
351.30682	1.9
371.29410	2.1
407.36716	44.5
408.37183	4.4
467.38361	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	467.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.05512	15.1
57.07072	7.6
67.05507	27.7
69.07069	31.7
69.56511	13.0
71.08638	2.1
71.10710	2.1
79.05489	15.9
81.07059	58.2
83.08627	13.1
91.05485	12.7
93.07048	40.2
94.36590	2.4
95.08609	100.0
97.10175	9.4
105.07027	34.4
105.07668	2.9
107.07879	3.5
107.08598	60.5
107.09289	4.4
109.06459	3.3
109.10159	71.0
111.11726	8.9
117.07019	3.7
119.08582	68.4
120.08897	3.0
121.10152	58.5
123.11706	32.2
128.79558	2.3
130.48579	2.5
131.08589	7.8
132.38463	2.6
133.10130	38.3
135.11688	42.2
137.13258	14.2
145.10115	13.8
147.11690	37.6
149.13225	18.0
157.10162	3.7
159.11719	17.6
161.13286	29.6
163.14807	19.3
173.13322	13.5
175.14825	21.2
177.16391	19.0
187.14842	12.5
189.16393	61.0
190.16753	3.4
191.17950	42.6
199.14801	4.2
201.16479	12.6
203.17969	24.9
205.19499	11.6
208.00507	2.3
213.16478	3.4
215.16145	3.5
215.17940	20.5
217.19522	23.0
219.21115	3.9
229.19447	10.9
231.21094	7.1
232.21169	2.3
243.21083	10.8
245.22691	24.4
255.21143	4.7
257.22684	7.6
259.24344	4.0
269.22656	7.6
271.24139	6.8
285.25757	4.9
297.25732	5.2
337.28836	2.9
351.30518	3.1
407.36685	56.8
408.36737	3.1
467.38907	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	467.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25872	6.4
55.05495	18.4
57.07071	16.3
67.05501	29.9
69.07066	38.2
71.08629	7.4
73.90309	6.8
77.13113	6.7
79.05495	9.2
81.07061	77.9
81.30772	5.7
83.08614	14.0
86.16118	6.6
89.06036	9.9
91.05501	14.7
93.07053	42.1
95.08600	100.0
98.23438	13.6
105.07055	20.7
107.08585	53.0
109.10153	79.2
111.11707	16.1
119.08583	50.1
121.10141	77.6
123.11697	36.9
125.13356	7.4
131.08626	9.4
133.08553	7.7
133.10162	44.7
134.64905	7.4
135.11690	55.7
137.13284	22.0
145.10144	22.7
147.11714	25.8
149.13297	29.6
159.11725	26.7
161.13304	26.3
163.14821	33.7
171.11667	8.7
173.13289	16.1
175.14894	22.9
177.16408	25.8
187.14862	18.6
189.16402	52.5
191.18008	26.9
201.16452	13.1
203.17992	22.8
215.17957	13.1
217.19507	14.7
229.19591	11.3
231.21214	9.2
235.59949	6.9
243.21056	13.9
245.22626	16.5
255.21025	11.0
257.22635	14.4
259.24246	8.9
269.22699	26.9
271.24249	16.4
283.17630	10.2
283.24136	12.1
285.25537	6.7
311.27328	12.5
371.29187	8.2
383.29196	7.8
407.36777	75.7
467.38593	72.9
468.38461	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	467.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.05509	18.7
57.07065	7.6
57.16701	2.0
65.03935	3.4
67.05505	42.1
69.03460	2.8
69.07065	31.8
69.23150	16.5
71.08640	4.5
74.47507	2.5
79.05497	25.7
81.07056	71.1
83.08604	13.3
83.42557	2.1
88.67162	2.1
89.06020	5.4
91.05487	25.2
93.07047	53.2
95.08612	100.0
97.10190	8.5
105.07032	59.3
107.08603	76.7
109.06550	2.5
109.10162	81.6
109.10918	4.6
110.10480	3.2
111.11697	2.8
114.35890	2.4
117.07054	3.6
117.84414	2.1
119.08588	94.0
120.08918	4.2
121.10152	59.9
122.10542	3.0
123.08108	4.1
123.11710	28.5
131.08572	13.7
133.08597	3.4
133.10136	60.6
134.10416	2.8
135.08008	3.1
135.11708	43.6
137.13243	8.9
142.07822	2.4
143.08592	5.6
145.10114	30.3
147.08087	4.7
147.11690	52.1
149.13239	29.0
157.10132	7.7
159.11699	36.0
161.09615	4.5
161.13268	39.2
163.14815	17.9
170.11003	2.9
171.11702	5.4
173.13286	19.4
175.11205	4.3
175.14803	22.0
177.16396	10.1
177.62341	2.3
183.11777	2.8
185.13257	6.5
187.11159	3.6
187.14812	16.8
189.16391	61.4
190.16840	2.8
191.17958	57.0
192.18260	2.7
197.13292	3.7
199.14827	8.1
201.16414	14.1
203.14336	15.4
203.17981	43.7
205.19536	10.3
209.13399	2.9
213.16425	4.7
215.17966	15.6
217.19536	39.3
227.17953	3.5
228.96123	2.4
229.19507	4.7
231.21111	4.6
241.19412	2.9
243.21094	3.1
245.22603	2.8
249.18367	3.2
255.21086	3.2
257.22641	3.8
269.22803	4.3
271.20538	4.9
283.24115	2.9
329.21188	3.4
389.31982	3.8
407.32141	3.8
407.37198	22.1
421.30942	7.4
449.34958	3.6
467.30591	6.2
467.35046	8.5
467.39374	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	468.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.6
61.37358	2.1
63.95277	2.2
68.74506	2.3
68.78334	2.1
68.84018	2.0
69.05856	2.6
70.08398	9.1
72.08147	2.7
75.59499	2.4
79.05503	3.2
91.05450	2.4
98.97588	3.5
103.05476	6.5
107.04941	5.1
110.07175	4.3
120.08117	100.0
127.03891	3.0
131.04999	3.1
135.04353	5.3
143.01917	4.7
154.94089	2.6
161.02930	4.7
163.03900	7.5
166.08652	45.9
167.07054	9.3
249.57970	2.8
317.13171	2.5
319.51913	2.7
327.69141	2.5
372.59924	2.9
468.08282	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	468.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.01878	15.9
55.05507	11.5
55.15625	3.4
55.32976	3.4
57.03434	6.7
65.03947	3.3
67.05495	19.8
69.03426	7.6
69.07056	25.0
69.31507	11.0
69.31930	13.9
71.04996	15.1
73.02910	4.1
79.05499	28.9
81.03430	4.2
81.07055	56.2
83.04983	17.2
83.08611	10.2
85.06549	6.9
86.40347	3.7
91.05479	23.1
93.07053	74.5
95.04948	23.7
95.08613	43.2
97.06541	38.4
98.22623	6.6
98.97653	3.7
99.04453	20.8
105.07034	62.1
107.04955	5.5
107.08598	57.3
109.06509	25.4
109.10146	9.2
111.08085	20.8
113.05997	7.8
115.03906	4.5
117.06995	7.3
119.08587	39.4
121.06494	42.6
121.10139	21.5
123.04458	7.4
123.08028	6.5
123.11720	9.2
125.05979	26.4
127.03910	4.3
127.07542	8.6
131.08594	7.2
133.06477	4.6
133.10143	26.5
135.08032	17.5
135.11697	11.8
137.05963	5.2
139.07571	26.2
142.07796	6.1
143.07059	10.5
143.08586	9.6
145.10120	23.7
147.11693	64.7
149.09657	12.3
151.11176	6.2
157.08650	13.0
157.10127	13.7
159.06569	8.1
159.11746	4.4
161.13287	6.1
163.11186	31.5
165.12799	23.6
167.10703	15.4
169.08615	56.0
169.10031	5.8
169.12221	7.0
171.11707	6.6
173.13274	5.6
175.11194	36.7
179.16428	3.9
181.10156	5.5
181.12215	11.9
185.11722	3.8
187.14737	5.5
189.12782	16.6
191.10643	13.8
191.14339	4.3
193.12251	39.3
199.11174	14.7
201.16451	4.7
207.13882	11.3
209.11707	13.4
211.13264	20.6
217.12244	56.4
225.07797	4.2
227.12764	72.9
229.14346	6.8
235.13303	62.2
253.14345	100.0
254.14650	5.7
269.06732	4.6
271.15384	20.6
285.06049	5.5
289.16580	11.0
337.12836	23.4
351.14481	4.2
355.13739	6.6
379.13910	24.8
397.14853	33.2
415.16058	21.5
433.17233	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06638	2.3
53.03947	5.0
55.01872	3.9
55.05517	10.5
57.03454	4.4
66.72386	2.2
67.05502	17.0
67.07756	2.3
69.03428	14.1
69.07059	12.9
71.04999	8.0
71.30740	3.6
79.05493	19.4
81.03437	6.0
81.07062	42.7
82.07396	3.1
83.04998	17.0
83.08615	2.8
85.02917	16.8
85.06558	5.4
87.00893	2.9
91.05466	15.0
91.52072	2.6
93.07043	45.3
95.04976	17.4
95.08611	42.1
96.08988	2.7
97.02888	5.8
97.06541	21.9
99.04465	19.3
100.11257	4.3
105.07031	34.3
107.08604	23.8
108.08905	2.7
109.02891	8.6
109.06512	22.5
109.10184	7.2
111.04449	6.6
111.08087	18.5
113.06039	4.7
117.07038	4.4
119.04969	7.8
119.08582	25.8
120.08883	2.9
121.06506	64.6
121.10187	12.9
123.08071	8.6
123.11763	9.1
124.07573	4.5
125.05952	15.5
127.03915	9.7
127.07580	7.5
129.07042	6.0
131.08575	12.7
133.06621	3.0
133.10159	19.0
135.04407	5.1
135.08064	9.3
135.11626	3.2
137.05984	4.3
137.09653	2.7
139.07567	17.2
142.07709	4.0
143.07077	9.6
143.08571	9.2
144.09035	3.1
144.99339	7.2
145.10129	12.9
145.40030	2.4
146.10452	2.6
147.08101	7.2
147.11700	43.3
148.12030	6.1
149.09744	3.0
149.13274	2.8
151.07600	3.9
151.11215	5.5
155.08531	2.8
157.08781	4.4
157.10159	18.8
159.06627	12.1
159.11711	6.7
161.09589	3.7
161.13283	8.0
163.15018	2.8
165.12819	10.6
169.12236	14.3
171.11665	10.3
173.09637	4.8
173.13261	3.7
174.13579	2.9
175.11150	26.6
179.32791	2.6
180.08769	3.2
181.10133	3.3
182.15446	7.7
184.07410	6.0
184.12035	3.5
185.04285	7.0
185.11752	2.7
187.05992	4.3
187.14856	5.6
189.12738	14.3
193.12209	23.1
198.14909	3.8
199.11183	26.6
201.16451	3.2
203.23763	2.5
207.13794	16.1
210.14890	4.5
211.13277	30.4
217.12225	65.9
226.14406	5.8
229.14297	17.1
235.11319	2.4
235.13283	90.7
253.14348	100.0
254.14691	5.3
271.15479	18.9
289.16428	12.6
306.07758	5.2
307.04584	46.3
354.23645	3.4
468.12762	22.9
468.31927	5.0
469.33783	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	468.3086
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
53.04745	0.7
56.05035	1.2
57.02259	0.7
57.07073	3.6
58.06595	1.2
60.08166	15.5
66.69089	0.6
67.05507	1.0
69.07062	0.9
69.86863	3.0
70.37824	0.7
71.07373	5.6
71.08620	1.8
81.07064	1.1
85.10184	0.9
86.09708	51.7
87.10020	1.1
93.07036	0.7
95.08570	1.3
98.98471	4.8
104.10744	100.0
105.07005	0.8
105.11079	1.8
117.28537	0.7
125.00007	27.3
133.10049	1.0
175.48192	0.7
184.07349	92.2
185.07751	1.9
258.10956	1.2
285.24243	2.3
433.78073	0.8
450.29831	7.0
468.30835	20.3
469.31030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1472
Annotation	Polycarpine
Peak:m/z	Relative Intensity
56.96564	2.2
68.85973	1.3
69.42670	2.6
69.43074	7.6
78.97192	1.1
94.01161	1.4
97.80334	1.5
98.22633	3.4
98.30132	1.4
98.97571	7.4
103.96439	1.4
116.98657	2.2
131.01932	1.4
143.01973	3.2
145.03448	2.4
155.01918	1.8
157.03499	1.5
161.02974	1.8
170.99590	1.5
173.02972	2.7
185.02927	2.8
187.04524	1.9
190.59767	1.6
191.34386	1.4
203.04018	4.1
215.04124	4.4
217.02040	2.6
219.01767	3.9
233.05032	2.8
237.02849	2.7
245.05185	5.1
256.76053	1.4
275.06128	3.1
307.08826	1.9
321.10315	1.5
353.07590	2.1
385.40030	1.8
469.14246	100.0
470.14722	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	469.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.5
55.05501	0.5
55.16159	0.4
67.05502	0.7
69.03428	0.5
70.06586	3.3
71.46502	0.4
72.08147	0.5
79.05494	0.5
81.07055	0.9
83.01098	1.0
84.04545	0.4
84.08114	0.7
85.06555	0.6
86.09723	1.1
95.01074	2.4
95.04964	1.6
96.01892	0.8
97.02870	0.4
98.09691	0.4
100.11260	0.6
105.07067	0.6
107.54829	0.4
110.07177	0.6
112.01334	1.1
113.02141	3.8
120.08107	0.9
121.10150	0.4
123.04417	1.8
126.02866	0.8
129.10231	0.5
133.02885	0.5
133.10095	0.4
134.65617	0.4
135.04451	0.4
137.05977	0.5
140.04695	0.7
155.07034	0.7
157.04723	1.1
157.75333	0.4
159.11711	0.5
167.03191	1.1
167.07022	0.6
168.72307	0.5
181.04944	1.1
183.06549	1.3
185.04205	5.0
201.03729	1.4
203.05382	1.3
217.04684	2.0
232.07053	11.8
233.07535	0.9
243.08429	0.9
259.07816	3.6
268.08087	0.9
275.08865	1.3
322.82605	0.4
421.15060	0.5
433.31949	0.5
438.15012	1.5
439.15594	1.3
451.32925	1.1
469.16791	100.0
470.17123	8.8
470.29584	0.4
478.86877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1679
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
58.40431	0.3
66.00838	0.5
69.03411	0.4
70.06590	1.1
71.04984	0.4
83.01100	1.2
84.01885	0.5
84.08142	0.5
86.09705	1.0
95.01091	2.6
96.01882	0.9
110.07181	0.9
112.01299	0.7
113.02133	4.0
132.49844	0.4
136.07574	0.6
141.05217	0.5
157.04745	0.9
167.03177	1.1
185.04193	5.7
185.05713	0.6
191.08156	2.3
201.03748	1.5
203.05295	0.9
217.04681	1.6
232.07060	16.4
233.07594	0.8
250.37471	0.3
259.07858	2.5
275.08932	1.6
283.20166	0.3
307.12775	1.0
312.80167	0.4
354.90424	0.3
409.17059	1.5
438.14911	2.8
439.15857	2.0
469.16800	100.0
470.10852	0.6
470.17114	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	469.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
54.33271	0.6
70.06590	4.5
71.31152	1.0
72.08230	0.6
74.36258	0.5
81.07069	2.0
83.01110	0.9
84.04499	0.9
84.86037	0.6
85.02879	0.6
86.09710	2.2
91.05483	0.9
95.01095	2.4
95.04977	3.3
95.08633	0.7
96.01855	1.0
97.81783	0.5
98.09695	1.8
100.11259	2.3
104.05289	0.6
105.07002	0.9
107.08581	0.5
110.07182	1.4
111.04395	1.1
112.01363	0.9
112.18183	0.5
113.02135	3.0
115.05573	0.7
120.08128	1.1
123.04438	2.9
125.05955	0.7
129.10239	0.9
133.97707	0.6
135.81802	0.6
137.05997	1.2
140.04730	0.9
155.07072	2.1
157.04695	0.7
167.07007	1.2
177.05489	0.6
179.41084	0.6
181.04938	2.4
182.15414	0.8
183.06487	2.8
183.14799	0.6
185.04243	5.1
198.43771	0.6
201.03699	1.4
203.05324	0.7
209.08099	0.6
210.14893	0.6
217.04813	1.7
228.07645	0.7
229.15550	0.8
232.07077	10.7
259.07870	4.3
269.86371	0.5
275.08957	0.9
308.08969	0.6
433.31430	1.5
438.15079	1.4
439.15402	1.3
451.33102	3.2
469.16754	100.0
469.33951	2.7
470.17157	8.2
470.29971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81636	2.6
53.03946	6.5
53.93088	2.5
55.01863	13.6
55.05511	28.1
57.03443	6.5
57.07069	7.7
58.32463	3.2
61.02927	15.7
65.03928	3.3
67.05500	40.2
68.99788	17.0
69.03430	49.9
69.07067	31.7
69.15405	22.4
69.15796	6.8
71.01336	3.6
71.04993	58.3
73.02907	7.4
73.06530	2.9
79.05492	40.4
81.03416	36.5
81.07055	100.0
83.04976	13.3
83.08614	12.6
85.02902	58.4
85.06534	4.7
87.00831	36.6
87.04420	2.9
91.05479	41.4
93.07042	73.3
95.04972	28.0
95.08602	71.7
97.02906	23.2
97.06529	13.0
97.10150	7.2
99.04473	6.9
99.08089	7.2
100.99861	2.6
103.03953	12.4
103.05458	3.9
105.01881	12.1
105.07027	87.6
107.04946	10.5
107.07858	5.0
107.08589	83.9
109.02888	18.8
109.06505	15.5
109.10155	82.5
110.54291	3.6
111.04443	11.5
111.08112	6.7
115.03962	8.2
115.05470	5.4
117.01780	4.2
117.07005	22.3
119.08582	77.5
120.08955	3.5
121.06484	20.4
121.10141	70.0
123.04429	12.9
123.08044	15.7
123.11701	30.9
125.05991	5.2
125.09621	12.8
127.03932	22.6
127.11190	38.6
128.06218	8.1
129.01840	14.3
129.07008	17.3
130.07817	3.6
131.08557	40.8
133.06474	3.8
133.10126	70.5
135.04393	5.4
135.08067	9.3
135.11694	51.8
137.05998	7.3
137.09615	10.4
137.13252	8.7
139.07544	4.2
141.05405	4.0
141.06998	9.1
142.07794	10.7
143.08568	28.0
143.10733	4.7
144.09386	8.0
145.04941	8.0
145.06474	6.7
145.10129	58.4
146.10434	3.8
147.02910	5.9
147.08046	12.9
147.11688	53.4
149.09633	5.3
149.13275	18.1
151.07542	6.1
151.11176	4.8
153.05380	3.9
153.07048	3.7
153.12740	18.7
155.08522	16.0
156.09290	6.7
157.10118	34.4
159.02902	8.5
159.08102	10.1
159.11688	66.3
160.11986	4.9
161.09636	13.8
161.13251	25.3
163.07584	8.1
163.11180	5.3
165.07011	3.9
165.09048	5.0
165.12769	6.0
166.07710	2.9
167.08513	6.0
168.09395	3.8
169.10103	12.8
171.08054	8.6
171.11707	26.2
173.09612	6.8
173.13258	17.6
175.11226	15.0
175.14836	12.6
177.09100	3.9
177.12769	12.4
177.16478	6.7
178.87567	3.1
181.10104	5.1
182.10818	3.7
183.11642	14.1
185.09637	7.9
185.13260	11.3
187.11223	7.7
187.14851	10.3
189.03955	11.4
189.09070	9.9
189.12729	6.2
189.16393	29.6
191.10706	4.6
191.14398	5.1
193.15895	9.3
195.11693	9.4
195.17451	6.8
197.09697	3.4
197.13213	14.0
199.11130	4.1
199.14874	9.8
201.12749	13.1
201.16408	25.9
203.14328	4.0
203.17924	24.3
205.12181	3.0
205.15732	5.5
207.10081	3.3
207.11739	9.8
209.13332	4.4
211.14702	3.6
213.03940	3.4
213.12737	4.0
213.16364	11.7
215.14346	4.7
215.17999	10.1
219.17487	6.4
221.19002	10.5
223.14899	5.4
225.12772	19.6
225.16286	4.7
227.17882	8.5
229.19397	4.2
231.17429	8.8
233.18954	9.1
239.17847	3.9
241.15868	6.7
243.13783	7.8
243.17467	7.8
245.19087	14.4
257.18951	12.4
261.14804	3.5
261.18475	5.4
263.20032	8.7
267.17700	3.7
269.19019	7.0
275.20078	4.5
287.19980	6.0
293.18994	9.2
305.21133	4.7
311.19986	32.8
327.15259	2.8
329.21149	15.0
347.14661	3.8
365.16238	3.7
407.24597	4.0
433.22028	14.8
451.23410	21.5
469.24207	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	469.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63274	1.7
51.02363	1.9
52.03144	1.7
53.03946	5.2
55.01882	7.8
55.05511	18.7
57.03442	4.5
57.07077	5.8
57.86596	1.4
61.02939	2.8
65.03945	4.2
67.05506	31.1
68.99799	5.8
69.03430	20.6
69.07069	19.0
69.10822	12.4
70.23205	1.7
71.04998	16.3
71.08656	1.8
73.02918	4.6
78.36323	1.7
79.05492	25.3
81.03425	14.0
81.07059	65.9
82.07397	2.4
83.04982	19.1
83.08628	10.1
85.02907	22.9
85.03370	2.3
85.06569	5.1
87.00832	8.0
91.05473	30.4
93.07042	48.1
94.07359	1.7
95.04977	18.6
95.08607	100.0
96.05333	1.9
96.08952	3.7
97.02899	13.5
97.06531	6.9
97.10179	5.2
98.23466	2.7
99.04451	5.2
99.08076	2.2
103.03976	3.3
103.05418	2.2
105.01884	4.5
105.07034	70.2
106.07359	4.0
107.04969	2.4
107.08598	64.1
108.08926	2.7
109.02903	6.2
109.06513	11.7
109.10152	45.9
110.10477	3.1
111.04434	8.1
111.08102	5.4
113.02408	1.8
113.09669	1.8
114.30782	1.8
115.03944	5.5
115.05430	3.0
117.01837	2.0
117.07038	13.0
119.08582	95.9
120.08918	4.2
121.06488	10.7
121.10143	43.8
123.04427	4.4
123.08086	13.2
123.11700	17.6
125.06034	3.2
125.09644	7.8
127.03925	6.4
127.11198	7.5
128.06235	5.2
129.01836	5.6
129.05475	3.2
129.07008	9.0
130.07745	1.7
131.08577	37.1
133.06496	4.6
133.10123	41.1
134.10416	2.8
135.08061	12.0
135.11688	25.6
137.05986	3.9
137.09642	12.6
137.13252	8.4
139.07504	2.3
139.11259	1.7
141.05417	1.8
141.06979	4.0
142.07794	6.9
143.08571	25.0
145.10129	54.8
146.10501	3.3
147.08067	9.8
147.11687	35.4
149.05969	2.4
149.09587	8.8
149.13237	15.6
151.07535	2.2
151.11220	7.3
153.12701	3.7
155.08560	5.7
155.10611	1.8
156.09317	5.0
157.10130	27.4
158.10860	4.1
159.02905	3.4
159.08066	6.4
159.11696	45.7
160.12335	1.7
161.09666	9.5
161.13248	29.6
162.13625	2.2
163.07535	3.5
163.11171	7.2
163.14839	8.7
165.09120	2.6
165.12796	5.3
167.08556	2.4
169.10095	11.1
170.10844	2.8
170.15382	2.9
171.06587	2.2
171.08136	2.1
171.11696	19.1
172.12225	1.9
173.09631	3.9
173.13240	26.4
174.10388	1.6
175.11241	5.1
175.14832	23.6
177.09097	2.2
177.12759	6.9
177.16415	11.0
179.08467	1.9
179.14363	4.1
181.10229	3.1
183.11714	9.5
184.12202	1.8
185.09688	2.2
185.13251	13.9
186.13496	2.4
187.11215	5.3
187.14835	48.8
188.15186	3.2
189.07643	8.0
189.09148	2.1
189.12694	10.0
189.16420	20.5
190.16667	1.8
191.14331	9.1
191.17908	5.5
193.10231	2.0
193.15909	5.5
195.11740	4.1
195.13525	1.9
197.13362	8.7
197.14896	1.9
199.11186	2.0
199.14821	16.6
201.03954	2.4
201.12802	4.9
201.16406	37.7
202.16708	3.1
203.10495	2.6
203.14308	33.5
203.17996	13.8
204.14697	3.1
205.15916	18.3
205.19604	3.4
207.11789	2.5
208.12480	1.9
209.13310	4.0
211.14833	5.4
213.12898	2.0
213.16434	17.5
215.14377	5.9
215.17938	8.6
217.15869	14.5
219.05191	1.9
219.17529	11.4
221.13347	2.3
221.15392	5.0
221.19055	5.0
223.14832	3.6
225.12703	5.3
225.16426	6.1
227.14404	2.8
227.18010	9.2
229.15926	7.3
229.19547	3.2
231.17458	14.9
233.15405	3.4
233.19112	4.8
239.17987	6.2
241.15852	2.9
241.19547	4.1
243.13721	3.8
245.15199	2.7
245.19092	5.1
247.16966	6.0
249.18553	2.2
251.18030	2.8
253.19534	4.6
257.19012	2.7
259.17044	3.5
261.18500	2.5
263.19998	2.4
269.19101	2.2
273.18616	2.2
281.22598	2.7
283.20453	3.7
287.20221	4.0
293.19159	2.3
299.20169	2.9
311.20184	6.2
329.21082	5.0
347.22345	2.7
387.30670	2.9
405.31628	17.1
407.33041	4.1
423.32562	14.3
425.34180	4.1
433.22000	4.2
433.30902	9.2
439.32129	2.5
441.34320	1.7
451.23224	4.7
451.32077	21.3
452.32114	2.7
469.29193	25.3
469.33255	29.8
470.34085	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
54.43819	1.9
55.01854	8.8
55.05515	11.6
57.03427	4.5
57.07062	4.7
61.02915	4.9
65.03932	3.1
65.72865	2.0
67.05501	20.6
68.99764	7.1
69.03436	24.1
69.07072	15.6
71.04990	19.9
71.31705	2.4
72.58655	1.7
73.02892	4.0
79.05501	20.6
81.03417	21.7
81.07057	46.0
82.07364	2.1
83.04981	6.7
83.08601	6.8
85.02431	2.4
85.02902	32.1
85.06499	2.4
87.00396	1.7
87.00833	15.3
91.05474	26.0
93.07043	43.5
95.04964	13.2
95.08055	3.3
95.08608	49.5
97.02892	13.8
97.06514	6.9
97.10120	3.3
99.04417	5.9
99.08035	2.3
103.03909	5.7
103.05436	2.2
105.01840	6.8
105.07030	55.5
107.04915	6.2
107.08593	42.7
107.15790	1.8
109.02884	8.9
109.06528	10.9
109.10155	45.1
110.10456	2.5
111.04420	8.5
111.08047	4.9
115.03896	3.3
115.05468	2.1
117.07005	11.0
117.36615	1.8
119.08582	56.5
121.06473	7.0
121.10146	37.4
121.47533	1.7
123.04395	7.7
123.08073	11.9
123.11713	27.3
125.05952	7.2
125.09583	6.2
127.03934	13.7
127.11227	10.5
128.06209	3.7
129.01819	6.3
129.06955	7.6
131.08582	25.3
133.10127	34.5
133.25539	1.8
135.04318	3.0
135.08020	6.7
135.11708	21.5
137.05940	6.4
137.09628	10.8
137.13208	3.2
139.07498	3.9
141.05405	2.0
141.06956	2.7
142.07736	6.2
143.08559	13.9
144.09250	2.5
145.04897	4.5
145.06526	3.0
145.09009	2.7
145.10112	42.2
147.02803	3.1
147.07996	7.6
147.11667	21.0
149.09608	6.9
149.13254	10.9
151.07538	3.3
151.11142	3.4
153.12703	5.6
155.08549	8.9
156.09291	6.1
157.10133	19.2
158.10880	2.2
159.02876	5.7
159.08005	5.2
159.11691	38.7
161.09561	5.4
161.13281	19.5
163.07504	3.4
163.11069	2.8
163.14748	7.1
165.09096	3.7
165.12787	4.3
169.10065	7.6
171.08057	3.1
171.11685	19.4
173.09540	4.8
173.13260	17.5
175.11191	3.7
175.14896	12.9
177.09097	2.0
177.12788	4.2
177.16336	8.8
181.10054	4.8
183.11710	10.1
185.09618	2.2
185.13289	9.8
187.11163	4.8
187.14816	22.3
188.15079	3.1
189.03812	2.5
189.09058	3.8
189.12717	8.1
189.16405	12.4
191.14310	4.4
191.17911	4.6
192.09300	2.3
193.15720	2.3
195.11705	3.8
197.13199	5.1
199.11133	2.1
199.14780	9.3
201.12640	6.1
201.16383	17.9
203.14233	8.0
203.17949	33.9
205.15810	7.1
207.11635	4.8
209.13342	2.3
211.14743	2.4
213.12679	2.6
213.16324	6.4
215.14307	4.3
215.17908	4.4
217.12144	2.9
217.15742	3.6
219.13715	5.6
219.17409	3.5
221.18828	3.9
223.14801	2.9
225.12724	9.7
225.16261	4.1
227.17819	6.2
231.04836	2.1
231.13690	3.4
231.17323	4.0
233.15321	5.2
233.19099	2.1
239.17998	2.4
241.15831	4.0
241.19421	3.6
243.13701	4.0
243.17500	2.0
245.18980	5.1
255.17368	2.8
263.20096	3.0
273.18521	2.1
311.19888	8.4
329.20944	7.0
347.14584	2.5
415.20831	3.2
423.32373	5.9
433.21725	4.3
451.23062	7.9
451.32068	4.3
469.29306	100.0
470.29941	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	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01876	10.6
55.05513	20.7
57.03440	4.7
57.07082	6.0
61.02915	2.8
64.96976	2.5
64.97886	2.4
65.03929	3.1
67.05511	38.6
68.99813	6.7
69.03429	28.6
69.07071	26.7
71.04990	12.5
71.30593	4.1
73.02895	3.1
79.05495	26.2
79.87453	2.4
81.03428	21.6
81.07059	63.3
83.04977	24.3
83.08621	11.7
85.02911	44.9
85.06555	9.6
87.00848	14.7
91.05480	42.8
91.06006	3.5
93.07051	100.0
95.04970	19.0
95.08603	60.9
97.02893	20.8
97.06541	6.3
97.10193	6.1
99.04478	5.5
100.11285	3.5
101.02346	2.7
103.03954	2.5
103.05418	3.9
105.01898	9.9
105.04545	4.8
105.07042	57.4
107.04973	4.5
107.08600	45.4
107.09285	3.7
109.02921	15.9
109.06548	15.6
109.10164	48.7
111.04439	8.5
111.08083	38.6
113.09692	3.5
115.03986	4.5
117.07005	8.8
119.08578	58.8
121.06503	9.1
121.10154	38.3
123.04508	4.4
123.08059	10.6
123.11690	14.3
125.06010	2.9
125.09656	9.3
126.84842	2.4
127.03922	20.4
129.01843	3.6
129.07019	6.8
131.08571	28.0
133.10138	30.3
135.08072	9.9
135.11711	19.2
137.06032	3.4
137.09598	13.4
137.13258	3.2
139.11212	4.4
142.07784	4.7
143.08574	13.7
144.09406	2.9
145.04985	7.5
145.10130	29.8
147.02870	5.2
147.08041	5.3
147.11691	34.1
149.09628	8.5
149.13272	9.3
151.07593	4.8
151.11198	7.9
153.09140	3.1
155.08551	5.9
155.10669	4.5
156.09343	4.8
156.13916	3.5
157.10121	15.2
159.02899	6.9
159.08051	5.3
159.11703	23.0
161.09605	8.4
161.13220	16.6
163.11198	6.9
163.14815	5.2
165.09166	3.5
165.12766	6.0
167.08624	3.3
169.10130	7.4
171.08101	3.7
171.11681	13.2
173.09634	6.5
173.13292	10.5
175.11234	5.8
175.14804	8.6
177.09123	4.2
177.12823	6.5
177.16362	3.1
183.11711	8.0
185.13318	10.0
187.11153	5.5
187.14812	10.4
189.12695	4.7
189.16438	5.9
191.14372	4.3
195.11649	3.9
197.13335	7.4
199.11243	3.8
199.14890	5.9
201.12752	4.6
201.16412	10.6
203.14313	5.7
203.17964	23.0
205.15887	6.0
209.13205	4.0
211.14844	3.9
213.12823	3.1
213.16422	4.6
215.14366	3.0
215.17992	6.0
217.15744	3.5
219.13818	4.1
219.17488	7.2
221.15524	3.4
221.18964	5.5
223.14880	3.2
225.16234	2.7
227.17947	3.4
231.04990	6.0
231.17482	3.9
239.17960	2.7
245.15369	2.7
245.19070	6.1
253.15962	3.6
257.18967	3.5
305.63086	3.0
311.20004	5.9
329.21124	3.5
347.21973	3.0
357.00067	2.5
405.31830	3.6
425.21805	3.3
433.22180	5.2
451.23492	5.2
451.32117	4.4
469.19699	5.5
469.28885	16.3
470.29984	3.9
479.19550	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	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.5
55.01868	16.8
55.05511	30.3
57.03436	13.8
57.07084	7.6
57.26615	3.3
58.26380	3.9
61.02922	10.7
67.05505	45.5
68.99793	4.9
69.03430	48.1
69.07071	31.3
71.01344	5.2
71.04988	13.2
71.08627	4.5
71.30636	4.4
73.02901	9.2
79.05499	34.2
79.11858	3.6
81.03421	43.2
81.07063	94.2
83.04990	15.4
83.08620	12.3
83.68790	3.4
84.08092	3.7
85.02914	84.8
85.06533	6.1
87.00834	32.5
88.24711	3.6
91.05479	52.0
93.07049	61.1
93.39606	4.7
95.04962	15.5
95.08607	100.0
97.02900	36.3
97.06529	14.1
97.10178	12.8
99.04472	17.9
100.11245	5.9
105.01856	22.0
105.06372	6.6
105.07039	92.4
106.07359	5.3
107.04961	8.8
107.08602	100.0
108.59258	3.2
109.02883	37.4
109.06509	13.1
109.10157	53.6
111.04445	12.7
111.08089	7.3
115.03915	7.5
117.07011	13.0
119.08590	99.5
121.06551	7.4
121.10150	50.4
123.04439	5.7
123.08088	12.9
123.11709	22.9
125.05943	4.0
125.09608	9.3
127.03922	54.5
128.04259	4.4
129.01898	9.2
129.07028	5.4
131.08595	27.5
133.06540	4.2
133.10136	57.8
133.77725	3.5
135.08069	12.1
135.11690	25.4
137.06010	9.4
137.09622	12.3
137.13139	4.1
138.64694	3.6
139.07571	6.7
142.07750	5.0
143.08574	13.9
145.04987	17.8
145.06476	3.4
145.10132	42.6
147.02896	7.9
147.08044	7.0
147.11679	56.2
149.09642	10.4
149.13232	21.2
151.11159	11.2
155.49559	4.1
157.10155	20.1
159.02895	15.4
159.08049	8.2
159.11707	30.7
161.13283	31.7
163.07541	7.1
163.11183	9.8
163.14857	16.3
165.06906	3.9
165.09105	9.1
165.12778	7.1
167.08562	4.9
168.09204	4.0
169.10178	7.4
170.10986	4.7
171.08170	4.2
171.11714	14.0
173.09595	7.1
173.13260	20.7
174.40852	3.9
175.14903	18.7
177.16357	7.0
181.10165	8.4
183.11687	8.8
185.13234	10.1
187.11140	5.3
187.14844	13.7
189.16379	10.9
197.13298	4.6
199.11131	4.8
199.14828	9.7
201.12796	4.9
201.16377	16.4
203.14328	14.7
203.17975	59.5
205.15997	7.3
205.19429	4.7
209.13231	4.0
213.16417	10.0
215.14104	4.4
215.17958	10.5
217.12315	4.3
217.15869	7.3
219.17482	10.6
221.19049	17.6
225.16379	4.9
229.15800	6.4
231.04980	6.0
231.17477	9.2
233.19005	6.2
239.14291	5.5
243.17737	4.8
245.18976	8.1
257.82422	4.6
273.18622	5.2
293.19138	6.0
301.47794	3.7
311.20044	13.0
329.21091	9.2
334.10553	4.9
402.06799	3.6
405.31558	4.4
415.21109	5.0
425.21371	6.8
433.22034	8.3
451.22980	4.4
451.32297	6.8
455.75473	4.3
469.28732	9.2
469.33569	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.1
53.39707	3.5
55.01871	9.4
55.05502	27.0
57.07082	8.4
65.03928	6.7
67.05505	37.6
68.91882	3.9
69.03433	21.2
69.07069	25.5
71.04984	17.9
74.17908	3.9
79.05496	30.9
79.05898	5.1
81.03417	20.0
81.07056	75.6
82.07410	6.3
83.04981	17.8
83.08675	7.9
85.02892	24.9
85.06515	6.3
87.00819	8.6
91.05478	39.2
93.07045	49.6
95.04448	4.2
95.04942	19.2
95.08611	87.9
96.08945	7.1
97.02906	15.2
97.10185	9.0
99.04490	6.1
103.04005	3.8
105.01855	6.2
105.03419	5.5
105.07033	79.3
106.07333	5.3
107.08594	60.9
107.73348	4.8
109.02900	14.2
109.06538	16.4
109.10152	59.0
111.04442	6.6
111.08127	5.1
114.09174	5.1
115.05477	5.0
117.07033	15.0
119.08578	100.0
120.08878	4.7
121.06511	12.5
121.10143	49.6
123.04430	6.9
123.08116	13.0
123.11743	24.6
125.09644	7.7
127.03946	11.7
127.11172	10.7
127.46036	4.0
129.01910	7.0
129.07025	11.9
131.08583	34.7
133.06540	5.7
133.10139	55.3
135.08104	14.2
135.11694	26.9
137.05948	9.1
137.09627	10.4
137.13231	5.1
142.07768	8.4
143.08585	27.3
145.10138	71.3
147.08078	15.2
147.11676	33.2
148.51701	4.3
149.09685	10.1
149.13239	13.9
151.07564	7.7
151.11253	7.9
155.08591	11.5
156.09377	5.4
157.10133	33.7
159.02931	6.1
159.08044	5.1
159.11719	49.9
161.09608	13.2
161.13301	24.1
163.14793	8.3
165.91411	4.0
169.10161	12.5
170.10812	3.8
171.11658	19.9
172.12285	4.0
173.09720	6.1
173.13243	36.4
175.11339	8.0
175.14832	26.6
177.12790	6.5
177.16435	16.8
179.14320	7.1
180.09247	6.2
183.11743	8.5
185.13257	26.5
187.11278	4.6
187.14821	46.9
189.12788	12.1
189.16405	24.6
191.14372	9.3
191.17953	5.1
191.47867	4.2
195.11729	7.3
197.13264	7.0
197.97061	4.0
199.11241	4.0
199.14822	20.1
201.12785	6.1
201.16356	38.5
203.14284	29.1
203.17937	26.3
205.15944	19.4
209.13301	5.0
213.16476	22.0
215.14253	6.3
215.18011	14.0
217.15889	16.2
219.13924	5.0
219.17459	11.5
221.19052	6.6
225.12862	5.9
225.16556	7.4
227.17912	6.6
229.19466	4.3
231.17508	13.3
233.15402	7.3
237.16306	8.1
239.17842	5.6
241.19606	6.5
245.15277	6.6
245.19023	7.7
247.17049	5.3
259.17120	5.0
311.20071	7.7
329.20905	7.1
405.31393	20.4
407.33389	6.5
423.32813	20.0
425.34109	4.9
433.31076	7.5
451.23178	5.2
451.32004	20.8
460.42807	4.1
469.16058	7.7
469.33051	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2948
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.03941	0.6
55.01869	0.9
55.05503	1.9
57.03428	0.3
57.07068	0.4
59.05000	0.2
63.05809	0.1
65.03934	0.4
67.05501	4.1
68.99776	0.5
69.03423	0.8
69.07063	2.2
71.01372	0.2
71.04989	0.3
71.31357	0.2
77.03911	0.2
79.05486	3.3
81.03404	0.6
81.07054	5.4
81.07523	0.4
82.39264	0.2
83.01347	0.2
83.04969	1.4
83.08607	0.9
85.02901	0.5
85.06532	0.5
91.05472	3.6
91.73119	0.2
93.07040	5.6
94.07401	0.2
95.04971	1.9
95.08601	9.0
97.02880	0.4
97.06525	1.5
97.10174	0.4
99.04475	0.2
103.05474	0.4
105.07028	7.8
107.04939	0.7
107.07858	0.3
107.08588	6.5
107.10128	0.2
109.02892	0.7
109.06519	3.3
109.10153	3.6
111.04448	1.2
111.08090	0.6
115.05455	0.4
117.07023	1.8
119.05007	0.2
119.08576	11.5
120.08948	0.2
121.06503	2.0
121.10133	4.4
123.04408	0.6
123.08071	3.4
123.11709	1.0
125.05988	4.2
125.09634	0.5
127.03909	0.5
127.07546	0.5
128.06258	0.5
129.06993	1.0
130.07797	0.4
131.08563	5.3
133.06516	0.9
133.10123	4.6
135.04448	0.3
135.08038	1.3
135.11685	1.7
137.05988	1.9
137.09612	7.3
137.13242	0.4
139.07561	0.3
141.05515	0.4
141.06960	0.4
142.07780	0.7
143.08565	3.0
144.09303	0.4
145.06494	0.6
145.10115	6.6
147.08023	1.9
147.11682	2.8
149.06015	0.4
149.09596	1.4
149.13284	1.0
149.14348	0.2
151.07538	1.9
151.11177	0.6
153.05464	0.7
153.07066	0.2
154.07727	0.2
155.08562	1.1
156.09349	0.7
157.10118	3.6
158.10876	0.5
159.08041	0.8
159.11678	4.1
161.06012	0.2
161.09605	1.4
161.13237	2.2
163.07523	0.8
163.11130	0.8
163.14812	1.0
165.06970	0.2
165.09108	1.1
165.12776	0.3
169.06284	0.2
169.10103	1.6
170.10872	0.3
171.08075	0.3
171.11688	3.3
172.12500	0.2
173.09628	0.9
173.13258	3.5
175.07556	0.3
175.11203	1.6
175.14774	2.0
177.09100	0.5
177.12747	1.2
177.16414	0.8
179.10675	0.2
179.14291	0.3
181.10147	0.5
183.11687	1.5
184.12260	0.2
185.09605	0.3
185.13229	2.0
187.11298	0.9
187.14813	6.6
189.07611	0.4
189.12733	1.6
189.16357	1.8
191.10699	0.5
191.14290	0.9
193.15968	0.3
195.11719	0.6
197.13231	1.1
199.11165	0.9
199.14845	1.9
201.12756	1.2
201.16357	2.6
203.10657	0.7
203.14311	3.1
203.17964	0.6
204.14714	0.3
205.10396	0.2
205.12276	0.6
205.15808	1.4
207.13617	0.2
207.17464	0.2
209.13268	0.4
211.14844	0.7
213.12848	0.6
213.16371	2.5
215.14336	0.8
215.17953	0.6
217.12292	0.7
217.15799	1.0
219.11864	0.2
219.13818	0.7
219.17473	0.3
221.15352	0.3
221.19203	0.2
223.14941	0.3
225.16418	0.7
227.14375	0.4
227.17915	0.8
229.12251	0.2
229.15970	0.8
229.19598	0.3
231.13857	0.4
231.17401	1.0
232.29514	0.2
233.15486	0.3
233.18962	0.3
235.16887	0.2
237.16417	0.3
239.17876	1.0
239.41483	0.2
241.15855	0.4
241.19550	1.3
243.17334	0.5
243.21188	0.2
245.15512	0.3
245.18994	0.4
247.16937	0.4
251.17867	0.4
253.19470	0.6
255.21085	0.2
257.19037	0.3
259.17053	0.4
259.20593	0.7
273.18512	0.2
279.20926	0.2
281.22729	0.3
282.56635	0.2
287.20062	0.3
317.19162	0.2
339.10022	0.2
377.28156	0.3
387.26514	0.4
387.30939	0.3
405.27710	0.6
405.32126	0.4
407.29147	0.3
423.28415	0.4
423.33322	0.4
425.30417	0.7
433.26962	0.4
439.32324	0.2
441.29944	0.2
451.27374	1.5
469.29425	100.0
470.29764	8.4
470.36621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	1.0
55.05510	1.9
57.07076	0.2
65.03941	0.5
67.05167	0.4
67.05500	3.9
68.99776	0.4
69.03432	0.6
69.07069	1.7
71.01370	0.3
71.04973	0.3
77.03891	0.2
79.05493	3.2
81.03410	0.5
81.07056	5.1
83.04971	1.0
83.08635	1.0
85.06533	0.2
91.05482	4.2
93.07047	5.5
95.04974	2.0
95.08606	8.6
97.06532	1.2
97.10185	0.4
105.07030	7.9
106.07331	0.2
107.04968	0.6
107.08596	6.0
108.01098	0.2
109.02879	0.5
109.06523	3.6
109.10165	3.1
111.04433	1.1
111.08109	0.7
115.05425	0.2
117.07008	1.7
119.08584	10.4
120.08908	0.2
121.06506	1.8
121.10139	3.8
121.71677	0.2
123.04440	0.8
123.08073	3.6
123.11716	0.6
125.05990	6.0
125.09647	0.3
127.07565	0.4
128.06219	0.3
129.07016	1.3
130.07703	0.3
131.08563	4.8
133.06488	1.1
133.10123	3.9
135.04405	0.4
135.08061	1.4
135.11690	1.8
137.05966	2.3
137.09612	7.5
139.07564	0.4
140.22023	0.2
141.05475	0.7
141.06979	0.2
142.07774	0.8
143.08565	2.7
144.09352	0.3
145.06493	0.5
145.10127	5.4
147.08049	2.0
147.11690	2.1
149.05960	0.5
149.09630	1.5
149.13274	0.8
151.07558	2.1
151.11172	0.6
153.05496	0.6
153.09084	0.2
155.08514	1.1
156.09383	0.6
157.10115	3.1
158.10901	0.4
159.08084	0.8
159.11678	3.1
161.09602	1.1
161.13274	2.1
163.07535	0.8
163.11218	0.9
163.14812	0.4
165.07060	0.3
165.09102	1.2
165.12759	0.3
168.09492	0.3
169.10118	1.6
170.10916	0.3
171.08005	0.3
171.11703	3.0
173.09622	0.8
173.13260	3.6
174.13739	0.3
174.29288	0.2
175.07582	0.3
175.11174	1.4
175.14796	1.5
177.09106	0.5
177.12730	0.9
177.16437	0.6
181.10092	0.4
183.11665	1.2
185.09657	0.4
185.13243	1.8
187.11218	0.9
187.14821	5.7
188.15253	0.3
189.09146	0.4
189.12781	1.4
189.16344	1.2
191.10686	0.7
191.14342	0.9
193.12135	0.2
195.11713	0.5
197.13237	0.8
199.11192	0.8
199.14822	1.2
201.12733	1.1
201.16385	1.9
203.10704	0.7
203.14308	2.3
203.17944	0.5
205.10207	0.2
205.12291	0.6
205.15912	1.0
207.11670	0.3
209.13394	0.3
211.14844	0.7
213.12819	0.8
213.16460	1.5
215.14326	0.8
217.12303	0.9
217.15831	0.6
218.68927	0.2
219.13821	0.7
219.17538	0.2
221.15503	0.3
223.14873	0.3
225.12843	0.3
225.16377	0.8
227.18008	0.9
229.15788	0.4
230.09834	0.2
231.13799	0.5
231.17455	0.6
237.16380	0.4
239.17969	0.9
241.15891	0.3
241.19540	1.4
243.17458	0.3
245.18944	0.2
249.16364	0.2
253.19481	0.4
257.18951	0.3
259.20627	0.4
269.18839	0.2
287.20435	0.3
387.26807	0.6
405.27682	1.0
423.29037	0.7
425.30792	0.3
433.27219	0.4
451.28320	1.5
469.29474	100.0
470.29849	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3329
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03947	3.3
55.01880	3.0
55.05509	18.1
57.03442	2.6
57.07082	5.3
59.04996	2.2
63.56103	1.7
65.03958	1.9
67.05501	19.3
69.03429	28.1
69.07073	23.6
69.23276	8.9
69.23679	2.7
70.03756	3.3
71.04985	7.5
71.08616	1.9
72.05327	2.6
76.18566	1.8
79.05489	16.1
81.03410	7.3
81.07053	30.2
82.07388	2.1
83.04969	3.5
83.08620	11.5
85.02901	5.5
85.06537	6.8
86.03234	2.2
87.00835	2.1
87.04456	2.2
91.05473	27.5
93.07040	44.6
95.04970	2.1
95.08601	54.4
97.02887	5.8
97.06525	3.8
97.10187	3.0
99.08073	2.3
105.07027	57.8
106.07372	2.1
107.08592	58.0
107.46939	2.0
109.02905	4.6
109.06515	4.7
109.10155	32.9
111.08099	2.5
117.07021	15.8
119.08578	100.0
120.08025	2.2
121.06519	3.7
121.10138	56.9
123.08042	3.7
123.11689	16.9
127.03927	6.4
128.06248	3.0
129.07022	7.3
130.07784	5.9
131.08572	56.7
132.08907	3.0
133.06511	2.3
133.10133	61.5
134.10486	2.5
135.08081	10.1
135.11694	23.7
137.09613	7.1
137.13240	2.7
141.06950	2.3
142.07774	8.5
143.08546	25.1
144.09317	5.3
145.10121	96.9
146.10435	5.1
147.08067	3.7
147.11690	34.7
149.06006	2.4
149.09627	5.1
149.13272	8.9
151.07523	3.4
151.11165	5.1
154.07755	2.0
155.08562	5.4
156.09363	7.5
157.10135	34.5
158.10837	7.7
159.11693	69.8
160.12131	2.6
161.09616	5.8
161.13268	25.2
163.07571	4.6
163.11174	7.1
163.14816	8.6
169.10097	6.9
170.10881	12.0
171.11705	25.8
172.12407	5.7
173.13257	40.3
173.14635	3.4
174.13783	2.7
175.07559	2.9
175.11131	4.6
175.14828	24.7
177.09096	1.9
177.12708	2.4
177.16367	20.7
181.10136	2.6
182.10991	1.9
183.11696	21.6
184.12439	5.3
185.13275	53.2
186.13568	2.4
187.14822	98.5
188.15170	4.4
189.09108	3.2
189.16382	71.3
190.13571	5.9
190.16760	2.8
191.14252	4.5
191.18016	7.6
195.11667	2.8
197.13310	7.5
199.14815	53.0
200.15503	2.3
201.12740	2.8
201.16385	86.4
202.16774	4.6
203.14375	11.2
203.17984	13.4
205.15891	38.0
207.17447	8.2
209.13397	2.3
211.14848	7.0
213.12912	2.7
213.16373	14.1
214.16753	2.1
215.14395	3.0
215.18033	9.4
217.15894	12.7
219.13789	6.9
219.17491	7.5
220.14183	5.0
221.14507	3.5
223.14772	4.6
225.16464	5.8
227.14314	5.2
227.17947	7.0
229.15858	4.7
229.19511	3.2
231.13797	4.1
231.17494	4.5
239.17892	3.2
241.19440	3.8
243.21086	2.3
245.15366	17.2
247.16982	3.4
253.19669	2.6
255.20889	3.1
262.17984	2.2
267.21002	4.2
269.22498	2.1
299.20218	2.0
301.21765	3.6
313.21567	2.8
387.30399	5.8
389.32062	6.7
405.31464	24.5
407.33371	10.4
421.31400	2.7
423.32529	20.7
424.32599	2.2
433.30975	21.5
439.32053	8.0
451.32104	44.7
452.32401	3.6
469.24335	3.5
469.33170	58.8
470.33420	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	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03951	2.7
55.05507	13.2
57.07066	5.8
65.03930	2.3
67.05504	17.2
69.03438	2.8
69.07072	20.1
69.19760	10.7
69.20163	3.7
71.05006	2.7
75.20280	1.5
77.03933	1.7
79.05495	17.1
81.07059	29.2
83.04996	3.9
83.08635	12.0
85.02889	2.1
85.06555	1.9
91.05476	28.3
93.07047	35.8
95.04979	2.9
95.08609	57.2
97.06545	2.3
97.10164	4.1
98.23412	1.9
103.05493	1.8
103.63223	1.4
105.07033	51.4
107.08594	54.8
108.08933	2.3
109.06531	4.0
109.10152	34.7
111.08085	3.7
115.05429	2.5
117.07008	16.3
119.08584	92.3
120.08885	2.0
121.06541	1.8
121.10142	51.7
123.08075	4.8
123.11710	15.7
125.09621	2.6
128.06184	3.4
129.06993	7.7
130.07803	5.7
131.08569	52.5
133.06424	2.7
133.10132	55.5
135.08049	9.7
135.11688	22.6
137.09639	6.1
137.13274	3.5
139.07523	1.7
139.11151	2.0
141.06999	6.2
141.12799	3.1
142.07809	6.8
143.08551	22.6
144.09326	5.9
145.10127	100.0
146.10481	2.4
147.08073	3.2
147.11688	32.3
149.09627	3.9
149.13260	9.9
151.07552	2.2
151.11212	6.0
155.08551	7.6
156.09363	10.8
157.10133	31.5
158.10890	6.8
159.08109	1.6
159.11694	68.7
160.12141	2.2
161.09636	4.1
161.13263	22.8
163.07594	6.6
163.11203	6.4
163.14842	8.6
167.08565	2.0
169.10156	6.0
170.10956	14.0
171.08057	2.2
171.11690	28.0
172.12459	5.4
173.13277	39.1
174.13814	2.3
175.11273	4.9
175.14818	27.6
175.16220	2.5
177.09224	1.7
177.12794	4.4
177.16370	18.5
179.14259	2.7
181.10091	2.2
182.10858	2.0
183.11690	21.9
184.12488	4.5
185.09663	2.0
185.13257	54.1
186.13841	3.3
187.14815	93.8
188.15187	4.7
189.09137	2.4
189.12759	3.1
189.16382	72.5
190.13530	6.2
190.16791	3.7
191.14305	4.6
191.17995	6.3
195.11697	2.4
196.12514	2.4
197.13257	9.8
199.14828	49.5
201.16380	82.2
202.16798	4.1
203.10596	1.6
203.14310	14.8
203.17911	11.1
205.15883	37.3
206.16257	2.0
207.17484	6.4
209.13283	4.2
211.14771	9.4
213.12840	3.6
213.16368	15.5
215.14351	3.2
215.17926	12.0
217.15883	17.8
217.19449	1.8
219.13707	1.7
219.17470	7.5
221.13271	1.8
221.15399	1.9
223.14819	3.0
225.16435	5.9
227.14384	3.1
227.17990	6.0
229.15900	3.8
229.19569	2.6
231.13844	4.5
231.17513	3.7
233.15430	3.4
233.18916	3.0
237.16403	4.2
239.18024	2.9
241.19603	3.4
245.15382	11.9
251.17998	2.4
253.19569	3.5
255.21091	3.1
257.15231	1.9
263.16550	2.6
267.21216	4.6
279.21078	2.6
284.94986	1.6
293.22821	1.7
299.20129	2.8
301.21381	1.9
313.21567	3.4
316.97052	1.5
387.30426	4.2
389.31992	8.0
405.31543	24.3
407.33121	15.9
408.33243	1.8
421.30997	2.0
423.32663	16.6
433.30997	23.5
439.32156	8.1
451.32047	52.7
452.32486	5.0
469.33173	68.5
469.39926	3.8
470.33493	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	469.3328
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.01893	1.9
55.05514	14.4
57.07072	4.7
59.04987	3.7
66.30972	2.0
67.05508	19.3
69.03428	21.9
69.07064	18.9
70.03752	5.1
70.74282	4.5
71.04979	6.3
74.06048	2.5
79.05487	17.5
79.83873	1.8
80.06614	2.2
81.03416	4.8
81.07056	28.1
83.04981	2.4
83.08614	12.0
85.02903	6.8
85.06532	7.5
87.00842	2.2
91.05485	25.4
93.07044	34.2
95.04958	4.2
95.08604	60.4
96.58109	2.4
99.59290	2.0
105.07028	64.0
107.04943	2.6
107.07870	2.7
107.08592	54.1
108.08887	2.1
109.02885	4.0
109.06535	4.1
109.10160	32.6
111.08077	3.8
115.05475	3.1
117.07037	11.9
119.08580	96.0
120.08905	3.6
121.06467	3.9
121.10149	49.2
123.08081	5.1
123.11683	16.0
125.09644	2.6
127.03921	6.1
128.06223	3.7
129.07007	8.9
130.07840	4.7
131.08569	47.5
133.06403	2.6
133.10136	59.5
134.10446	2.7
135.08054	11.5
135.11694	19.2
137.09616	6.1
137.13283	6.4
142.07777	8.9
143.08543	22.5
144.09308	5.0
145.10124	100.0
146.10497	4.4
147.08022	3.4
147.11694	27.7
148.11972	2.7
149.05968	3.2
149.09604	2.9
149.13300	13.1
151.11200	5.6
155.08534	5.7
156.09331	6.5
157.10136	31.7
158.10754	3.3
159.08043	2.2
159.11694	71.2
160.12042	4.5
161.09651	4.7
161.13249	21.1
163.07565	6.0
163.11194	6.1
163.14833	8.1
169.10146	7.5
170.10931	10.2
171.11687	26.0
172.12415	6.2
173.09714	2.8
173.13280	45.2
175.07576	3.7
175.11263	4.3
175.14856	24.0
177.12750	3.6
177.16360	17.2
179.14352	4.3
183.11696	26.1
184.12424	3.7
185.13260	42.6
186.13751	3.0
187.14824	94.7
188.15190	6.5
189.09015	2.5
189.16385	70.9
190.13504	5.8
190.16757	2.4
191.14345	2.8
191.17995	6.3
195.11763	3.4
197.13258	12.2
199.14812	48.4
201.12669	4.1
201.16393	81.8
202.16760	6.1
203.14362	11.1
203.17932	10.9
205.15895	31.1
207.17477	7.4
209.13350	3.5
211.14854	6.9
213.12735	3.9
213.16345	16.3
215.14441	2.8
215.17940	10.0
217.12357	2.9
217.15863	17.5
217.19455	4.0
219.13719	5.2
219.17407	6.9
225.16310	2.4
227.14322	4.7
227.17903	7.3
229.15855	2.4
229.19524	3.7
231.13861	5.0
231.17578	3.9
233.15373	3.3
233.19048	3.3
241.19475	4.3
243.17436	2.2
245.15320	12.9
247.16774	2.2
251.17978	2.4
253.19592	5.8
257.19043	2.7
267.21121	3.4
297.18579	1.9
299.20163	2.5
301.21750	2.4
313.21860	3.1
363.23010	2.6
366.89258	2.3
387.30313	7.1
389.31979	5.6
405.31528	28.6
406.31635	3.0
407.33163	12.6
423.32553	18.3
425.33868	2.5
433.31058	20.0
434.31265	2.2
439.31964	6.7
451.32040	43.1
452.32214	4.9
469.33157	60.3
470.33279	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	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03952	4.7
55.01860	3.5
55.05516	16.5
57.03423	1.8
57.07082	3.5
65.03944	2.1
67.05506	30.7
69.03436	12.4
69.07071	22.9
70.89465	2.8
71.04995	4.6
79.05501	24.9
81.03426	6.6
81.07059	55.6
83.04983	17.7
83.08631	9.1
85.02895	7.2
85.06555	3.9
87.00827	2.3
88.14968	1.7
91.04958	2.7
91.05482	33.2
93.07044	46.1
94.07314	1.5
95.04976	18.1
95.08611	95.7
96.08920	2.4
97.02884	4.8
97.06534	8.9
97.10148	3.6
98.35673	1.6
98.97425	1.5
99.04478	2.9
99.08084	2.1
103.05479	2.2
105.07037	59.9
106.07348	1.9
107.04926	3.2
107.08598	63.9
108.08957	2.6
109.02874	2.9
109.06525	11.5
109.10162	40.0
111.04461	2.1
111.08086	7.0
115.05466	3.3
117.07021	10.0
119.08584	100.0
120.08901	2.8
121.06497	9.6
121.10146	39.7
123.08067	11.5
123.11714	13.8
125.06005	4.4
125.09669	8.7
127.03931	4.8
128.06277	3.6
129.07016	8.4
130.07797	4.9
131.08571	41.0
133.06508	4.3
133.10133	54.0
135.08043	10.3
135.11697	17.7
137.05963	3.1
137.09639	13.9
137.13287	3.3
139.07527	2.0
141.06969	3.1
142.07802	6.5
143.08568	21.2
144.09337	5.7
145.06561	2.3
145.10132	64.9
146.10501	3.3
147.08067	11.1
147.11690	33.6
149.09624	9.9
149.13268	14.0
151.07561	2.6
151.11220	5.2
155.08583	7.5
156.09334	5.6
157.10120	27.4
158.10855	4.2
159.08044	4.9
159.11700	50.9
160.12263	3.0
161.09691	8.9
161.13258	28.9
163.07558	2.9
163.11208	5.6
163.14818	7.8
165.09106	1.7
165.12753	5.2
167.08533	2.4
169.10081	8.9
170.10844	5.2
171.08076	1.6
171.11685	19.0
173.09639	3.4
173.13269	32.6
174.10159	1.9
174.13852	1.6
175.11218	5.2
175.14828	33.3
177.12788	4.5
177.16415	11.8
179.14288	3.3
181.10121	3.9
183.11697	11.8
184.12456	2.8
185.13277	18.3
186.14084	1.9
187.11287	3.6
187.14824	58.1
188.15213	2.6
189.12773	9.9
189.16394	19.1
191.10698	3.2
191.14334	9.0
191.17969	4.3
193.12360	1.8
193.15919	2.8
195.11681	3.4
197.13266	8.9
199.14812	23.4
201.12689	4.3
201.16399	37.4
202.16704	2.1
203.12393	2.1
203.14325	43.7
203.17953	13.3
205.15886	20.1
207.17416	3.2
209.13283	2.4
211.14812	9.1
213.12848	2.4
213.16382	22.6
215.14359	5.0
215.17929	9.6
217.12256	2.1
217.15897	16.6
217.19345	2.2
219.13899	3.2
219.17418	10.9
221.13512	1.8
221.15356	8.4
223.14830	4.9
225.16418	5.2
227.17947	8.7
229.15936	7.7
229.19556	3.0
231.13838	1.7
231.17502	17.0
233.15375	5.1
233.19048	4.6
235.14783	1.8
235.17033	2.0
236.15335	1.6
237.16454	3.8
239.17946	7.2
241.16003	1.7
241.19569	5.8
243.13655	1.9
243.17458	2.3
243.21135	1.6
245.15410	3.8
245.19057	3.0
247.16980	5.1
251.18076	3.6
253.19518	8.2
255.17635	1.8
255.20842	3.5
259.16919	3.8
259.20709	3.1
267.21078	3.1
273.18430	3.5
277.18097	4.9
279.21057	2.5
281.22644	2.6
283.20511	1.9
287.20120	2.2
289.25058	1.8
295.24142	1.6
299.20224	2.8
325.21542	2.4
339.23077	3.5
349.25266	2.9
365.28339	2.1
387.30490	5.4
393.27603	2.0
405.31683	18.9
407.32886	4.3
411.29001	1.9
421.31055	2.6
423.32535	19.9
425.34302	2.7
433.30902	10.9
451.32138	29.0
452.07007	2.0
452.32523	3.7
469.29282	41.0
469.33621	27.3
470.34232	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49866	2.8
53.03941	5.7
55.01878	4.3
55.05518	19.4
57.07063	5.3
59.45145	2.7
61.02908	3.3
66.09625	2.4
67.05510	39.1
67.98975	2.5
69.03423	17.5
69.07071	22.9
71.04983	10.0
72.58789	2.8
79.05477	26.3
81.03424	10.5
81.07063	61.6
82.18589	2.6
83.04968	15.8
83.08619	9.0
85.02899	17.2
85.06602	3.2
87.00846	7.2
90.97925	2.8
91.05478	34.6
91.21962	2.6
93.07047	42.5
95.04985	25.7
95.08616	96.0
96.08929	4.9
97.02872	5.8
97.06523	8.2
97.10182	3.5
98.23348	9.2
99.04417	4.4
99.08072	3.5
103.05443	4.2
105.06374	5.3
105.07034	72.0
106.07330	4.5
107.08594	69.0
109.02809	3.6
109.06505	12.0
109.10154	42.7
111.08079	6.8
116.06183	2.7
117.07036	11.6
119.08590	100.0
119.09440	5.9
120.08925	4.1
121.06514	12.6
121.10144	44.6
123.08068	12.9
123.11700	17.0
125.09631	7.3
127.03886	5.5
128.06242	4.6
129.06985	8.2
131.08575	46.0
132.08847	3.4
133.06525	3.3
133.10138	53.0
135.08047	11.6
135.11678	24.4
137.05952	6.8
137.09627	17.5
141.07042	3.6
142.07820	7.4
143.08577	24.0
144.09225	3.4
145.06459	4.4
145.08997	5.3
145.10132	56.7
146.10445	2.7
147.08067	7.1
147.11699	41.2
149.09598	9.6
149.13266	12.9
151.11183	4.6
155.08586	11.0
156.09302	6.8
157.10158	27.9
158.10876	3.6
159.08110	5.4
159.11703	52.5
161.09625	9.9
161.13275	27.2
163.07503	3.4
163.11209	4.2
163.14850	10.7
165.12767	3.9
169.10144	13.0
170.10872	5.1
171.11719	21.2
173.09676	4.7
173.13280	31.9
175.11137	4.6
175.14841	26.4
177.09050	2.8
177.12788	6.4
177.16383	9.3
179.14316	4.3
183.11661	8.8
185.13223	12.2
187.11081	4.8
187.14821	47.9
189.12738	9.2
189.16422	18.8
191.14326	11.4
191.17975	5.7
193.15915	3.4
195.11723	4.1
197.13240	8.1
199.14890	20.7
201.12708	4.8
201.16405	33.9
203.14319	37.9
203.17955	21.0
204.14641	4.8
205.15855	20.9
209.13280	4.3
211.10707	3.4
211.14830	6.9
213.12849	4.4
213.16415	24.5
215.14349	6.3
215.17955	11.3
217.15900	15.9
219.17476	11.3
221.15273	6.5
221.19078	4.6
225.16435	6.2
227.17924	9.2
229.15855	7.2
231.17401	15.3
233.15416	6.8
237.16315	3.4
239.17990	6.7
241.19533	6.8
243.17395	3.2
245.15384	3.3
247.16850	7.0
251.17902	4.4
253.19595	7.1
257.18918	3.4
259.16946	4.6
287.20093	3.2
295.24045	3.2
311.20007	7.0
329.21027	3.1
369.24176	3.3
387.30502	4.7
405.31546	13.4
423.32703	22.5
423.41620	3.4
433.30597	7.6
451.32025	22.7
469.15311	3.7
469.28958	25.6
469.33188	39.9
470.28949	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	469.333
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.79926	1.8
53.03950	6.2
55.01868	4.9
55.05516	23.0
57.03438	4.2
57.07068	6.2
59.05009	2.7
61.02927	2.4
63.52884	1.8
65.03935	4.4
67.05506	34.1
68.99797	2.7
69.03429	15.2
69.07066	22.4
71.01344	1.9
71.04987	12.0
71.08651	2.6
73.02914	6.2
73.03897	1.8
74.84408	1.8
75.78690	2.0
75.87953	1.9
79.05489	26.5
79.65111	1.6
81.03407	10.6
81.07061	68.0
81.07523	4.3
82.07391	3.0
83.04985	24.9
83.08613	13.1
85.02901	15.4
85.06525	3.5
87.00830	10.1
91.05486	28.7
93.07043	53.6
95.04977	17.1
95.08611	100.0
96.08934	5.3
97.02901	13.9
97.06541	8.1
97.10184	6.9
98.23399	6.3
99.04455	2.6
99.08086	4.7
100.11273	3.5
103.05479	2.4
105.01895	2.2
105.07033	78.1
106.07372	5.3
107.04970	3.5
107.08600	66.1
108.08935	2.8
109.02875	5.4
109.06508	12.5
109.10151	42.1
110.10486	2.7
111.04461	10.7
111.08108	4.3
115.03931	4.7
115.05512	2.7
117.07011	13.8
119.08585	94.1
120.08940	3.9
121.06505	9.4
121.10146	49.9
122.10458	2.7
123.04425	2.9
123.08083	13.3
123.11722	17.3
125.05974	3.6
125.09637	7.4
127.03957	3.4
127.07469	2.3
127.11207	5.3
128.06224	3.0
128.07069	3.0
129.01830	3.6
129.05492	5.9
129.06995	8.9
130.07816	4.2
131.08577	34.1
133.09204	3.7
133.10141	46.2
134.10486	2.1
135.08098	9.7
135.11690	23.4
137.05986	3.7
137.09602	13.4
137.13286	6.0
141.07047	2.3
142.07793	6.7
143.08553	19.7
144.09306	3.4
145.10121	60.5
146.10472	2.7
147.08049	14.0
147.11697	33.3
149.09639	8.9
149.13287	17.0
151.11180	6.5
155.08545	6.5
156.09308	4.8
157.10152	25.4
158.10689	2.9
159.08057	4.2
159.11699	49.9
160.12115	3.7
161.09633	10.5
161.13274	26.4
163.07565	3.4
163.11214	5.8
163.14888	12.8
165.12709	4.3
167.08554	2.4
168.09366	2.7
169.10118	9.9
170.10844	5.4
170.15401	3.7
171.11726	19.0
172.12335	2.9
173.09657	5.7
173.13286	30.4
174.13664	2.4
175.11183	4.4
175.14847	25.3
176.15160	2.0
177.12758	7.2
177.16403	11.6
179.14272	4.5
181.10080	3.1
182.10887	2.1
182.15387	3.2
183.11737	7.0
185.13257	17.0
186.13640	2.1
187.11218	3.6
187.14833	55.6
188.15227	3.1
189.07594	10.4
189.12782	9.4
189.16394	22.5
191.10625	3.1
191.14380	12.1
191.17972	5.7
193.15842	4.4
195.11652	3.8
197.13263	9.2
198.14922	6.3
199.14774	17.9
201.12741	4.6
201.16411	38.5
202.16788	5.4
203.10916	2.2
203.14340	40.9
203.17940	17.9
204.14635	3.5
205.15929	19.1
207.11839	2.5
207.13797	2.9
209.13358	4.5
210.14964	3.8
211.14940	5.8
213.12779	3.2
213.16394	21.8
215.14265	6.5
215.17995	10.7
217.15909	18.3
218.16272	2.5
219.13814	2.9
219.17387	11.1
221.15382	3.7
223.14917	3.1
225.16469	7.5
227.18010	8.1
229.15910	8.8
229.19434	3.3
231.13869	2.2
231.17427	16.3
233.15422	4.9
233.18938	6.4
233.90167	2.0
237.16441	2.1
239.17950	5.5
241.15804	3.6
241.19511	6.7
243.13884	2.4
243.17480	3.0
245.15529	4.4
245.19118	5.7
247.16914	4.2
251.17923	2.6
253.19510	4.8
255.21040	2.5
257.19122	6.2
259.17059	5.2
261.18640	2.2
265.19360	2.9
267.21109	3.3
269.19031	3.0
277.17978	3.6
283.20605	3.9
287.19992	3.2
309.25372	2.1
311.20193	4.7
329.21207	3.7
355.26004	3.2
371.26736	2.3
383.61670	2.0
387.30313	4.5
395.32962	3.1
403.76703	2.4
405.31512	18.7
407.32986	5.3
411.29141	3.0
421.31042	2.8
423.32532	25.9
424.32065	2.9
425.33801	4.0
433.22421	3.6
433.30756	6.8
439.31912	3.0
451.31906	25.1
469.32932	43.6
470.33917	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	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03940	5.3
55.05516	16.1
57.07067	3.3
65.03940	3.1
67.05514	25.7
69.03412	5.6
69.07060	18.8
69.31370	3.6
69.31782	12.9
79.05480	20.2
81.03429	3.2
81.07061	40.7
82.07408	4.5
83.04970	15.7
83.08614	5.8
83.90456	2.3
85.02943	3.4
85.06538	3.7
91.05485	32.5
92.10223	2.7
93.07044	43.5
95.04983	20.3
95.08612	83.7
96.08934	7.2
97.06538	5.0
97.10184	3.5
105.07033	63.8
106.07373	6.2
107.04930	3.5
107.08593	48.3
108.08917	3.4
109.06514	10.5
109.10155	33.1
109.67671	3.0
111.04431	2.7
111.08057	3.5
113.04282	2.8
115.05455	2.3
115.30058	2.8
117.06986	12.6
119.08584	100.0
119.09441	4.8
120.08935	10.5
121.06523	10.0
121.10147	35.6
122.10548	4.2
123.08072	9.3
123.11737	12.5
124.62225	2.6
125.09639	6.8
128.06184	3.5
129.07065	5.1
130.07800	2.5
131.08568	36.1
133.10143	38.5
134.10460	4.6
135.08070	7.1
135.11693	10.2
137.09639	10.2
142.07770	6.6
143.08604	17.3
144.09172	4.8
145.10138	60.3
146.10501	5.0
147.08054	9.5
147.11702	25.8
148.12064	2.8
149.09651	7.3
149.13332	14.8
151.11212	4.4
155.08560	5.7
156.09366	3.7
157.10146	23.2
158.10828	2.9
159.08035	4.9
159.11728	37.5
160.12082	3.9
161.09615	6.9
161.13243	24.6
163.11198	4.7
163.14854	11.7
164.69336	2.2
165.12749	5.0
169.10101	8.0
170.10678	4.0
171.06584	3.8
171.11691	16.8
173.13261	27.4
174.13651	3.1
175.11243	6.4
175.14847	28.8
176.15198	3.9
177.12787	4.5
177.16409	9.4
179.14296	4.8
181.10063	4.4
183.11697	10.6
184.12215	4.0
185.13245	14.0
187.14832	50.8
188.15195	5.3
189.12762	9.1
189.16422	16.3
191.14337	7.4
193.15872	3.5
195.11932	3.6
197.13335	3.8
199.14845	23.8
201.16414	35.1
202.16830	5.2
203.14313	37.4
203.17981	10.2
204.14700	3.2
205.15988	17.3
209.13344	5.9
211.14839	5.8
213.16423	16.8
215.14386	3.5
215.17903	9.8
217.15898	14.1
219.17413	4.5
221.15384	4.0
225.16444	5.4
227.17909	8.8
229.15912	9.0
229.19476	2.8
231.13936	3.4
231.17467	16.8
233.15379	5.8
233.19026	3.1
239.17854	5.7
241.19452	5.3
243.17320	3.4
247.16916	6.8
251.17993	3.9
255.21136	2.9
257.18768	3.3
259.17004	5.5
273.18518	2.7
277.17914	4.6
281.22784	3.0
387.30411	4.9
405.31567	17.9
407.33099	3.8
421.30856	3.3
423.32639	29.1
425.34192	4.1
433.30942	13.3
439.32138	3.8
451.31885	29.4
469.16980	4.1
469.32620	53.9
470.33914	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	469.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.05512	7.7
57.07083	4.1
60.09822	1.1
67.05510	13.7
69.07061	7.9
69.25392	0.9
69.25719	9.0
71.08667	1.1
71.57455	1.0
76.94561	1.2
79.05503	10.2
81.07055	32.2
81.07517	2.1
83.04943	1.3
83.08625	6.2
89.06050	2.4
91.05484	12.0
93.07042	21.0
93.07539	1.7
95.04974	2.1
95.08609	46.7
96.08994	1.8
97.06543	2.5
97.10184	3.9
98.23360	2.1
105.07033	28.7
107.08596	36.8
109.06539	3.4
109.10152	30.2
110.10482	1.8
111.08101	6.0
111.11758	1.3
115.48444	1.1
117.06998	2.5
119.08581	50.1
120.08930	2.2
121.06522	1.4
121.10148	27.1
122.10528	1.3
123.08112	5.0
123.11702	20.4
125.09666	3.7
129.07133	1.5
131.08533	7.5
133.10129	36.6
134.10402	1.4
135.08113	2.5
135.11694	23.9
136.11983	1.4
137.09674	1.4
137.13287	3.4
143.08604	1.7
145.10144	12.1
147.11681	27.1
147.12730	1.9
149.09595	7.3
149.13275	7.8
151.11227	3.6
151.14925	1.3
157.10196	2.1
159.11697	10.4
161.09654	2.4
161.13275	18.2
163.11237	2.1
163.14871	5.2
171.11736	2.0
173.13345	5.3
175.14832	10.9
177.16452	7.4
187.14815	6.5
189.12801	1.5
189.16393	17.5
189.18001	1.2
191.14442	2.5
191.17915	7.2
201.16393	11.7
203.14670	1.8
203.17958	51.4
203.19890	2.5
204.18230	2.1
205.15881	5.6
207.17445	6.0
213.16476	1.4
217.16054	4.7
217.19350	1.3
219.17421	11.5
221.19141	4.7
263.20047	1.2
293.21054	1.4
309.69913	1.3
327.27136	1.2
329.44193	1.1
333.24414	3.3
347.25995	1.7
357.04498	1.1
387.29114	1.6
391.33707	3.5
409.34772	12.0
451.31894	1.8
469.36981	100.0
470.37387	11.0
483.48358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
54.25915	1.3
55.05517	12.3
57.06820	1.4
57.07079	8.5
59.77451	1.4
66.21455	1.2
67.05508	32.8
69.03426	1.8
69.07074	22.1
71.08627	2.7
79.05498	9.5
81.06576	3.0
81.07059	49.2
81.50476	1.4
83.08627	16.3
89.06007	1.8
89.15637	1.6
91.05508	7.8
93.07053	17.3
95.04967	5.6
95.08613	77.2
96.08913	2.4
97.06548	2.9
97.10168	7.4
105.07050	13.9
107.08603	24.0
109.06517	4.3
109.10165	100.0
110.10526	2.7
111.11716	7.4
117.06991	1.5
119.08588	22.4
121.06527	3.9
121.10155	22.5
123.08082	4.8
123.11711	74.3
124.12055	1.8
125.09643	3.1
131.08563	6.4
131.17505	1.5
133.10126	16.8
135.08043	4.3
135.11693	16.3
137.09621	3.4
137.13255	8.0
139.11134	1.4
143.08560	3.3
144.09419	1.6
145.10139	9.7
147.08025	2.7
147.11732	12.3
149.09622	5.7
149.13246	6.8
151.11131	2.6
151.14793	2.1
157.10144	5.0
157.47394	1.4
159.08018	1.7
159.11758	12.1
161.09668	5.1
161.13281	5.6
163.11185	2.7
163.14835	4.8
165.09206	2.3
165.12697	1.6
169.10124	3.2
171.11743	7.9
173.09604	3.2
173.13297	7.1
175.11197	3.1
175.14839	7.2
177.12808	1.9
177.16318	2.5
179.10658	2.2
179.17961	34.4
180.18280	1.7
183.11598	2.5
185.13229	4.0
187.11183	2.5
187.14879	8.3
189.12744	2.5
189.16451	11.2
191.17946	4.0
197.13312	1.9
197.51210	1.4
199.11200	2.5
199.14752	3.2
201.12834	3.3
201.16376	4.1
203.14287	1.6
203.17964	4.4
205.15916	7.5
205.19540	1.6
213.16344	2.4
215.14369	2.3
215.18047	2.4
217.15817	1.5
219.13596	1.9
219.17464	1.6
227.17987	3.9
229.15913	2.5
229.19444	2.9
231.13892	2.3
231.17438	21.9
232.17696	1.7
233.19102	2.0
239.17981	2.2
243.17444	2.3
243.20924	1.8
269.22693	3.6
289.17990	46.7
290.18277	1.8
291.19543	2.9
391.29404	1.9
391.33820	2.4
405.31726	2.3
409.30450	4.3
409.34616	5.9
423.32339	3.5
433.30994	3.4
441.33047	1.6
451.31552	9.7
469.32401	23.5
469.36899	35.5
470.32913	4.1
470.38004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
54.25915	1.3
55.05517	12.3
57.06820	1.4
57.07079	8.5
59.77451	1.4
66.21455	1.2
67.05508	32.8
69.03426	1.8
69.07074	22.1
71.08627	2.7
79.05498	9.5
81.06576	3.0
81.07059	49.2
81.50476	1.4
83.08627	16.3
89.06007	1.8
89.15637	1.6
91.05508	7.8
93.07053	17.3
95.04967	5.6
95.08613	77.2
96.08913	2.4
97.06548	2.9
97.10168	7.4
105.07050	13.9
107.08603	24.0
109.06517	4.3
109.10165	100.0
110.10526	2.7
111.11716	7.4
117.06991	1.5
119.08588	22.4
121.06527	3.9
121.10155	22.5
123.08082	4.8
123.11711	74.3
124.12055	1.8
125.09643	3.1
131.08563	6.4
131.17505	1.5
133.10126	16.8
135.08043	4.3
135.11693	16.3
137.09621	3.4
137.13255	8.0
139.11134	1.4
143.08560	3.3
144.09419	1.6
145.10139	9.7
147.08025	2.7
147.11732	12.3
149.09622	5.7
149.13246	6.8
151.11131	2.6
151.14793	2.1
157.10144	5.0
157.47394	1.4
159.08018	1.7
159.11758	12.1
161.09668	5.1
161.13281	5.6
163.11185	2.7
163.14835	4.8
165.09206	2.3
165.12697	1.6
169.10124	3.2
171.11743	7.9
173.09604	3.2
173.13297	7.1
175.11197	3.1
175.14839	7.2
177.12808	1.9
177.16318	2.5
179.10658	2.2
179.17961	34.4
180.18280	1.7
183.11598	2.5
185.13229	4.0
187.11183	2.5
187.14879	8.3
189.12744	2.5
189.16451	11.2
191.17946	4.0
197.13312	1.9
197.51210	1.4
199.11200	2.5
199.14752	3.2
201.12834	3.3
201.16376	4.1
203.14287	1.6
203.17964	4.4
205.15916	7.5
205.19540	1.6
213.16344	2.4
215.14369	2.3
215.18047	2.4
217.15817	1.5
219.13596	1.9
219.17464	1.6
227.17987	3.9
229.15913	2.5
229.19444	2.9
231.13892	2.3
231.17438	21.9
232.17696	1.7
233.19102	2.0
239.17981	2.2
243.17444	2.3
243.20924	1.8
269.22693	3.6
289.17990	46.7
290.18277	1.8
291.19543	2.9
391.29404	1.9
391.33820	2.4
405.31726	2.3
409.30450	4.3
409.34616	5.9
423.32339	3.5
433.30994	3.4
441.33047	1.6
451.31552	9.7
469.32401	23.5
469.36899	35.5
470.32913	4.1
470.38004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.05503	12.5
57.07073	5.0
58.26992	1.6
65.03947	2.2
66.85322	1.6
67.05505	17.9
69.07061	20.7
71.08638	2.3
79.05484	14.1
79.22454	1.7
81.07053	37.8
83.08628	8.5
85.06551	16.4
89.06022	3.3
90.37521	1.5
91.05483	14.4
93.07049	26.5
95.04997	1.9
95.08604	71.2
97.06512	3.3
97.10149	4.1
105.07039	38.6
107.08595	49.8
109.06522	5.8
109.10152	41.9
111.08071	3.9
111.11741	2.2
112.74448	1.6
117.06997	4.2
119.08583	45.0
120.08903	1.8
121.10143	36.9
123.08092	5.5
123.11715	15.2
125.09609	1.8
127.18961	1.7
131.08577	9.7
133.10121	29.6
135.08093	4.0
135.11696	32.6
137.09618	22.9
137.13286	6.7
143.08580	3.1
145.10110	21.4
147.08067	2.6
147.11711	25.6
149.09622	4.6
149.13274	14.2
151.07376	2.1
151.11148	2.3
157.10156	5.5
159.11710	21.0
161.09674	2.2
161.13246	20.9
163.11171	2.9
163.14850	6.9
169.10164	3.5
171.11726	5.7
173.13287	12.3
175.11185	2.6
175.14827	15.5
177.12807	3.8
177.16377	5.3
185.13264	6.9
185.79771	1.7
187.11163	2.5
187.14812	14.0
189.12578	2.0
189.16402	17.1
191.14343	5.0
191.17947	21.5
193.15926	2.2
197.13245	3.2
199.14784	4.8
201.16364	17.9
203.14287	4.7
203.17992	15.4
205.12318	2.7
205.15846	10.4
205.19533	5.4
206.16211	2.1
207.17473	2.2
211.04738	1.6
213.16473	2.8
215.14500	1.7
215.18054	3.3
217.15802	6.3
217.19524	12.1
219.17406	14.4
221.19072	2.0
227.17978	2.8
229.19550	3.5
231.17586	2.1
243.20880	2.1
245.18721	1.7
255.21107	3.4
257.22479	2.7
259.20547	1.6
259.24292	3.2
260.40161	1.6
269.22742	2.0
271.23981	2.1
273.22122	3.0
295.23956	2.2
335.74249	1.8
391.33536	7.0
399.36819	1.7
409.34717	100.0
410.35068	9.1
423.32217	3.3
451.31808	9.4
469.32382	7.8
469.36719	22.7
470.37329	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	470.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.7
53.50996	3.0
55.01878	28.8
55.05503	8.4
57.03419	5.7
57.83453	2.5
61.02927	4.5
67.01848	9.5
67.05499	6.2
68.99795	3.5
69.03436	27.8
69.07077	8.3
70.06577	7.1
70.63757	4.3
70.64111	5.5
71.04979	7.2
73.02918	5.9
77.03938	3.3
79.05500	15.9
81.03419	26.3
81.07061	14.4
83.04256	2.8
83.04955	2.6
83.08606	5.8
85.02906	69.5
85.06555	3.0
86.09731	8.0
87.00826	25.6
91.01843	8.4
91.05485	100.0
93.06494	2.9
93.07051	21.4
95.04983	6.5
95.08607	23.4
96.08923	4.6
97.02875	29.5
97.06492	3.9
99.04428	8.9
102.79066	3.1
103.05469	38.4
105.01862	34.2
105.03370	6.7
105.07033	29.2
107.04962	4.6
107.08585	21.2
108.08898	4.5
109.01672	2.7
109.02880	35.2
109.10152	12.4
111.04435	7.4
111.08008	2.6
115.05460	55.5
116.06255	31.4
117.03407	5.9
117.07029	41.6
119.04906	4.4
119.08588	30.1
120.08144	3.2
120.08924	6.3
121.06510	16.4
121.10112	14.3
122.10472	3.1
123.11707	6.2
125.05985	9.3
127.03919	56.8
127.05444	8.6
128.06262	13.2
129.07005	18.2
131.04948	25.0
131.08572	53.0
132.08884	7.6
133.06497	5.4
133.10144	16.6
133.69543	2.8
134.10434	5.3
135.08054	7.3
135.11702	4.8
141.06989	21.0
142.07742	3.9
143.08565	8.7
144.05701	11.1
144.09270	2.9
145.04941	12.8
145.06480	72.3
145.10123	25.7
146.10435	8.7
147.11670	10.7
148.12061	3.0
149.09579	3.7
149.13264	5.0
155.06058	4.5
157.10065	11.5
158.10553	4.4
159.02882	8.0
159.08060	65.8
159.11732	17.5
160.12047	3.4
161.05969	8.7
161.13245	7.6
163.07555	5.2
163.11163	3.8
165.09138	3.8
169.06485	7.1
169.10133	3.9
171.11621	7.6
172.12029	4.2
173.09515	3.2
173.13290	8.4
175.07582	5.3
175.14789	6.5
177.09126	11.9
177.16411	3.0
178.16623	2.6
183.11665	3.5
184.31952	2.5
185.13237	7.7
186.13675	6.1
187.06009	5.1
187.07553	66.0
187.14857	21.4
188.15189	8.9
189.16415	12.3
190.16663	4.2
191.14505	2.6
191.17860	3.0
199.14827	10.4
201.16403	15.9
202.16780	10.5
203.14409	4.6
205.08618	31.6
205.15886	6.6
206.08897	3.4
213.03932	4.8
229.08633	3.8
231.05016	10.6
245.15387	3.6
246.15837	2.8
249.05853	2.9
259.09488	4.1
267.10333	4.2
267.97571	2.9
406.31982	4.0
434.30862	3.4
452.32480	9.9
469.32813	3.7
470.24054	4.9
470.33063	12.9
471.21429	3.0
471.26093	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01852	2.1
55.05508	2.4
57.03435	2.9
59.04981	0.8
61.02914	2.7
67.05496	4.0
67.97572	0.8
69.03432	7.0
69.07060	1.3
69.21565	1.3
69.21903	6.2
70.06589	2.7
71.01344	1.1
71.04979	1.9
72.08157	1.4
73.02922	20.9
79.05495	0.8
81.03428	1.7
81.07054	2.1
85.02906	10.1
85.06551	2.5
86.09710	1.8
87.00802	1.0
87.04480	1.7
91.05468	1.4
93.07059	1.5
95.04972	3.8
95.08605	21.4
97.02895	14.3
98.03289	0.7
99.04476	2.2
100.11263	2.3
105.07046	1.0
109.02878	2.2
109.06509	1.2
110.06797	0.9
111.08113	0.8
113.09646	100.0
114.09987	2.4
115.03934	6.4
119.04926	0.8
119.08575	1.1
121.10144	0.8
123.08067	3.2
127.03926	5.3
131.08534	0.7
133.04980	5.2
133.10138	0.9
137.05936	1.6
141.01799	0.7
141.09077	4.2
145.04933	5.5
145.10211	1.0
147.04410	2.2
147.08008	0.8
159.10168	69.4
160.10518	1.4
161.02942	0.9
163.06029	2.3
163.07332	0.8
177.09123	0.9
193.11984	0.9
203.84979	0.7
205.03468	1.3
205.12262	1.1
210.14938	0.8
223.06055	2.8
223.13152	1.0
229.15561	1.0
237.11223	0.8
255.12383	2.0
259.08170	1.5
321.15625	1.1
331.06546	1.1
376.53574	0.9
471.22522	12.0
471.35678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06065	0.8
51.38427	0.7
51.52596	0.6
53.03951	1.8
53.40144	0.8
55.01880	4.4
55.05512	4.3
55.71393	0.7
56.02671	0.7
57.03439	8.9
57.07044	1.0
57.75931	0.7
61.02924	4.9
65.03919	1.1
67.05511	8.0
69.03432	12.8
69.07066	1.3
69.65784	2.7
70.06590	12.4
71.04984	2.9
73.02911	2.7
81.03421	6.3
81.07072	2.1
83.04987	1.2
83.08624	4.7
84.08148	4.3
85.02908	55.1
85.06563	3.8
86.09712	10.3
87.04484	2.1
91.03953	3.0
91.05474	2.0
91.10701	0.8
93.07050	3.8
95.04963	1.7
95.08607	3.4
97.02898	16.0
98.22622	0.8
98.97569	1.7
99.04462	3.6
107.04974	1.5
109.02881	5.7
109.06532	1.4
111.08086	47.9
113.09646	13.2
115.03940	0.9
123.02705	0.9
123.08070	2.2
127.03931	15.4
127.07565	2.6
129.09120	100.0
130.09474	1.9
135.08112	0.8
141.03694	1.0
141.09137	2.0
145.04962	17.5
147.04433	1.4
147.11278	2.2
153.09084	1.6
159.10117	1.3
163.06035	5.2
165.09137	1.3
177.09097	1.2
237.11223	1.4
244.16605	7.1
255.12277	5.6
267.19635	0.8
273.13315	17.0
291.14380	19.9
292.14664	0.9
304.57904	0.8
308.64612	0.8
325.11224	1.1
470.13913	0.8
470.29831	3.2
471.18326	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	470.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.7
53.09374	2.0
55.01867	8.9
55.05497	2.3
57.03442	16.5
59.04989	2.3
61.02934	12.6
67.05492	6.1
69.03433	37.7
69.07071	3.6
69.76542	1.8
71.01357	4.1
71.04997	3.7
71.30587	2.9
73.02923	67.3
79.05487	4.4
81.03429	9.0
81.07051	7.3
82.45308	1.6
83.04961	2.2
85.02911	100.0
87.04462	5.2
91.03967	4.9
91.05502	3.9
93.07056	7.2
95.04992	3.4
95.08617	6.0
97.02898	52.0
97.06509	2.7
99.04462	5.4
105.07012	9.4
107.08581	7.4
109.02879	8.4
109.06523	2.9
109.10154	6.2
115.03938	22.4
117.07018	2.0
119.08582	5.5
121.06508	3.7
121.10124	4.7
123.08021	2.6
123.11693	2.8
127.03902	33.3
131.08578	3.8
133.04961	32.1
133.10155	5.4
135.08020	3.1
135.11757	2.8
137.09642	2.7
140.31560	2.2
143.08568	2.5
145.04968	45.7
145.10168	7.5
147.08104	2.4
147.11731	2.5
149.09695	3.7
157.10092	2.2
159.11681	3.6
163.06046	16.6
168.92825	1.8
175.14848	3.0
187.11203	2.4
187.14896	6.8
191.07016	2.3
195.11746	2.1
201.12857	2.1
223.06078	3.6
235.65472	2.3
241.07106	5.9
259.08185	5.5
270.81525	2.1
278.82233	2.0
423.28958	25.4
453.29785	2.1
471.30826	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.8
59.71253	2.1
64.57444	2.0
70.06593	33.3
71.31518	2.0
72.08157	5.2
73.14436	2.4
82.15549	2.1
83.81271	2.0
84.04482	2.4
84.08145	9.9
85.02905	2.3
86.09710	10.2
92.49007	2.1
93.55707	2.2
98.97609	6.1
102.05520	2.8
110.07187	6.9
116.98604	3.8
120.08112	3.0
128.98599	3.5
129.10214	11.2
135.04434	4.1
145.02829	4.5
146.99698	3.4
163.03932	14.0
167.07047	3.6
177.05531	2.6
203.86819	2.2
219.01846	4.3
237.02820	8.6
246.29263	2.3
254.97937	4.4
283.04916	2.8
301.06046	3.6
367.07092	6.3
403.09183	3.7
411.02338	2.7
427.10025	15.6
471.09058	100.0
471.16565	19.9
472.09085	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	471.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.3
57.03435	0.3
58.46152	0.3
67.05500	0.4
69.03416	0.4
69.20070	1.6
69.20480	0.5
70.06570	1.0
72.08160	0.4
79.52435	0.3
81.07050	0.8
84.04094	0.3
85.02878	0.8
93.07027	0.5
95.08550	0.3
104.25436	0.3
105.07057	0.4
107.08601	0.4
111.00537	0.9
115.05456	0.3
119.08542	0.4
131.08621	0.3
133.10118	0.4
137.06018	0.5
145.10077	0.4
147.04367	0.3
159.11667	0.5
182.15443	0.4
185.13181	0.5
203.05257	1.1
209.44556	0.3
221.11491	7.0
247.13046	3.9
249.11028	2.8
291.12326	0.4
309.13092	44.2
310.13440	2.4
351.13849	0.3
360.81836	0.3
364.05441	0.3
387.73187	0.3
427.19476	0.8
471.18396	100.0
472.07925	0.4
472.18756	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	471.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.7
58.73212	1.0
64.67359	1.1
67.05508	3.2
69.03431	1.4
69.07067	1.5
69.57797	6.1
70.06582	2.9
72.45349	1.4
79.05492	1.7
81.07066	5.5
85.02905	2.5
91.05487	3.7
93.07058	4.2
95.04993	2.9
95.08617	6.8
97.06491	1.4
100.45296	1.1
105.07026	5.6
107.08613	6.3
109.06523	2.0
109.10161	2.5
119.08555	6.3
121.10164	5.3
125.09650	1.3
131.08569	2.0
133.10101	3.4
135.08115	1.8
135.11713	2.6
137.05934	2.6
137.09686	1.6
143.08546	1.7
145.10156	3.1
147.11751	2.8
149.09665	1.6
149.13373	1.6
161.13321	1.9
163.11200	1.4
171.11668	1.6
173.13307	2.2
175.14769	2.5
183.67163	1.3
185.13257	1.9
187.14819	2.6
201.03716	2.5
203.05362	2.0
205.15952	1.7
219.04872	1.4
219.17595	1.4
221.06255	1.2
274.19165	1.4
275.07455	2.1
309.20740	1.2
333.07913	72.6
334.08215	2.7
335.09485	35.7
453.33820	2.5
460.32700	1.2
471.21997	100.0
472.22501	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	471.3107
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.03947	1.2
55.01870	0.4
55.05516	3.3
57.03437	0.7
57.07073	0.6
65.03940	0.8
67.05505	10.0
69.02322	0.3
69.03428	0.8
69.07072	3.0
70.06589	1.0
71.04990	1.3
72.08153	0.3
74.23920	0.3
77.03919	0.4
77.29408	0.3
79.05494	7.1
81.03411	0.4
81.06577	0.8
81.07058	11.1
83.04976	0.8
83.08614	1.4
84.08097	0.4
85.02905	1.4
85.06526	0.7
86.09698	0.9
86.98002	0.4
91.05484	9.9
93.07047	13.1
95.04975	1.3
95.08607	10.0
95.09223	0.6
97.06548	1.7
100.11239	1.6
103.05450	0.7
105.07027	15.7
106.66264	0.4
107.08595	13.0
108.08916	0.5
109.06520	2.2
109.07162	0.3
109.10159	12.0
111.08079	2.9
115.05406	0.6
117.07022	5.2
119.06071	0.4
119.08583	20.6
120.08871	0.5
121.06528	3.9
121.10149	6.9
123.08073	3.3
123.11699	1.8
125.09715	0.5
126.03138	0.3
127.03941	0.5
128.06232	1.5
129.05504	0.5
129.07019	3.8
130.07787	1.2
131.08565	13.5
133.06454	0.9
133.10132	10.7
135.08055	4.6
135.11662	2.8
137.05971	0.7
137.09601	1.9
141.07021	1.0
142.07738	2.4
143.08574	10.3
144.09315	1.5
145.06500	0.7
145.10127	18.8
146.07213	0.5
146.10582	0.7
147.04356	0.4
147.08044	4.3
147.11713	5.4
149.09624	2.5
149.13235	1.8
151.11169	1.0
153.07082	0.3
154.07767	0.3
155.08560	3.3
156.09317	2.0
157.10129	9.9
158.10812	1.1
159.08063	1.6
159.11694	12.2
160.08868	0.6
160.12120	0.5
161.09633	8.0
161.13252	5.3
163.11198	1.1
163.14859	1.2
167.08556	0.6
168.09370	0.6
169.10133	4.0
170.10876	1.5
171.11693	5.5
172.12341	0.5
173.09636	1.2
173.13263	9.0
175.07532	0.4
175.11174	2.9
175.14809	3.7
177.12767	1.4
177.16458	0.8
179.14243	0.6
181.10176	0.9
182.10945	0.8
182.57178	0.4
183.11685	4.6
184.12445	0.4
185.09636	0.5
185.13257	12.8
186.10437	0.8
187.11201	1.8
187.14830	10.0
189.09120	0.7
189.12770	6.6
189.16328	1.0
191.10649	0.6
191.14313	4.7
195.11728	1.4
196.12560	0.4
197.13269	3.1
199.11165	0.6
199.14842	6.0
201.12746	3.2
201.16365	3.6
203.14302	7.5
205.12299	0.6
205.15916	1.1
207.11688	0.6
209.13246	1.4
210.14961	0.5
211.14865	2.4
213.12852	1.0
213.16499	1.3
215.14346	3.6
215.17850	0.5
217.12233	0.5
217.15891	4.1
218.16176	0.5
219.13811	2.2
219.17398	0.8
221.13316	0.6
221.15244	0.9
223.06049	1.0
223.14946	0.6
225.16435	0.9
227.17831	0.9
229.15802	1.7
231.13838	1.1
233.15329	0.7
237.16348	0.9
239.17915	0.5
241.19460	0.4
243.17465	0.4
245.15259	0.6
251.18011	0.6
269.19107	0.4
290.19952	0.5
295.20554	0.5
371.27231	0.7
377.28378	1.2
389.28369	3.8
390.28989	0.5
407.29388	4.0
417.27853	0.9
425.30530	1.9
435.28925	2.4
453.30289	2.1
471.22522	3.0
471.31012	100.0
472.31363	9.7
491.17303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3105
Annotation	CHEBI:69590
Peak:m/z	Relative Intensity
53.03946	2.8
55.01867	2.5
55.05515	8.0
58.73234	1.2
65.03936	1.9
67.05509	18.2
69.03427	3.6
69.07071	11.6
70.55442	3.4
79.05484	15.5
81.03404	1.4
81.07062	29.5
82.95236	1.2
83.04993	3.5
83.08609	4.8
85.06520	1.9
91.05489	21.5
93.06472	2.0
93.07043	30.7
95.04937	3.9
95.08610	40.9
97.06512	3.8
97.10180	2.0
105.07034	48.3
106.07384	1.7
107.04939	2.7
107.08598	44.4
109.02827	1.7
109.06528	8.8
109.10161	38.2
111.08088	1.9
112.17169	1.4
115.05430	3.0
117.07012	10.6
118.07954	1.2
119.07777	2.9
119.08586	44.2
121.06522	15.1
121.10157	25.2
123.08080	6.0
123.11713	6.8
125.06018	2.6
125.09533	1.9
127.03911	1.9
128.06239	2.3
129.06978	6.3
130.07793	2.7
131.08582	24.4
133.06476	4.5
133.10132	30.4
135.08060	10.2
135.11699	12.5
137.06007	3.6
137.09625	12.4
137.13225	6.7
141.07031	2.7
142.07678	3.3
143.08569	17.6
144.09276	1.8
145.06448	2.3
145.10130	32.0
146.10414	1.3
147.08057	20.1
147.11705	13.3
149.09642	4.8
149.13266	5.1
151.07550	1.8
151.11224	1.7
155.08588	5.5
156.09348	4.2
157.10141	18.6
158.10835	2.6
159.08105	6.5
159.11697	21.6
160.12080	1.4
161.09657	12.7
161.13272	14.0
163.11240	2.5
163.14845	6.2
165.12741	1.5
167.08658	1.6
169.10158	7.4
170.10857	3.1
171.08006	2.4
171.11688	15.2
173.09608	3.3
173.13298	16.2
175.07629	1.6
175.11154	5.1
175.14819	11.0
177.09134	2.0
177.12764	4.6
177.16431	3.9
179.14296	4.9
181.10118	3.2
182.10831	2.0
183.11673	9.7
185.09692	2.2
185.13229	9.6
187.11150	4.8
187.14838	22.1
189.12723	8.3
189.16458	9.4
191.14343	11.5
195.11681	4.2
197.13268	7.5
199.11166	4.3
199.14827	10.6
201.12741	5.8
201.16370	7.6
203.14323	100.0
204.14626	4.5
205.12132	2.9
205.15894	30.2
207.11688	2.3
209.13269	4.4
211.14848	5.8
213.12805	2.4
213.16412	5.6
215.14311	7.7
215.17873	2.8
217.12305	3.0
217.15875	18.1
219.13782	2.6
219.17451	3.0
221.13437	2.3
223.14856	1.8
225.16386	3.5
227.14386	2.6
227.17957	3.7
229.15857	12.0
231.13792	3.0
231.17390	8.2
237.16364	1.8
239.14349	2.2
239.17992	2.5
241.15929	2.6
241.19525	2.6
243.13817	3.4
243.17491	4.2
245.15448	3.9
245.18733	3.2
251.18016	1.6
255.17587	2.8
257.15540	2.3
257.18982	2.6
269.18954	5.2
271.20474	2.6
281.18832	1.4
283.20529	3.1
297.18680	2.1
297.22076	1.9
307.24100	1.7
323.23767	1.5
325.25342	6.4
377.28323	2.4
389.28647	7.0
391.30038	2.1
397.27322	3.1
405.27820	13.7
406.28491	2.1
407.29474	26.4
408.29861	3.5
409.31036	25.7
410.31366	2.3
417.27869	3.9
423.28952	67.6
424.29126	7.1
425.30270	3.2
435.28842	19.3
436.29373	2.5
441.29837	3.6
453.29959	85.0
454.30383	7.9
471.30847	56.5
472.31210	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05506	4.9
57.07069	1.5
59.05006	2.2
67.05520	6.7
69.03459	1.3
69.07072	6.6
71.04998	1.9
71.31559	1.8
79.05509	3.9
81.07069	9.3
83.04987	6.8
83.08604	2.0
85.06527	1.6
91.05476	4.8
93.07036	9.1
93.27233	1.7
95.08618	11.7
97.06532	3.0
97.10136	1.3
99.04485	1.3
100.07822	1.4
105.07011	8.0
107.08587	10.5
109.06525	3.3
109.10157	12.5
109.69852	1.3
111.08098	1.5
117.07041	1.9
119.08585	6.9
121.06481	1.3
121.10139	13.6
123.08089	3.8
123.11726	6.8
131.08580	3.9
133.10149	6.9
134.98233	1.5
135.08070	19.8
135.11649	3.3
137.09656	3.7
137.13283	1.5
139.11182	18.6
143.08517	1.8
145.10133	7.9
147.08070	1.9
147.11703	3.9
149.09627	5.8
149.13277	1.9
149.26050	1.4
151.11179	2.3
157.10056	2.6
159.08099	3.6
159.11734	3.7
161.09669	2.6
161.13306	3.6
163.11198	2.5
173.09634	4.8
173.13274	5.2
175.11154	8.1
175.14827	2.2
177.09143	2.3
177.12743	2.2
185.13257	2.5
186.10411	3.6
187.11179	3.0
187.14847	5.3
189.12781	5.0
191.14255	3.6
200.11949	2.4
203.14352	1.7
205.15860	3.6
213.12662	1.3
215.14310	8.5
219.13780	3.7
219.60536	1.4
229.15883	1.9
231.13704	3.0
233.15369	100.0
234.15753	4.2
247.16919	8.4
297.33051	1.5
313.69507	1.4
315.23160	1.8
425.33902	1.8
435.32852	3.5
453.33603	17.7
471.34854	28.9
472.34897	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.32243	7.3
55.05512	15.7
57.07043	9.6
58.34713	8.3
67.05508	27.5
67.58377	7.7
69.07079	33.1
71.04974	8.4
71.33384	11.0
79.05512	17.0
81.07050	55.7
83.08614	9.8
91.05504	33.0
93.07030	46.8
93.19737	7.2
95.08603	80.4
95.10962	7.8
95.42847	8.8
97.10207	11.0
105.07028	53.3
107.08601	52.6
109.10190	41.2
119.08578	100.0
121.06493	11.0
121.10125	62.9
123.08089	12.3
123.11723	26.5
130.22421	7.7
131.08601	20.1
133.10146	40.4
134.98172	17.3
135.11714	30.9
137.09679	8.5
137.13254	11.6
143.08575	10.5
145.10132	33.6
147.11736	38.9
155.08620	9.3
157.10146	10.7
159.11711	26.1
161.13234	52.0
163.14781	12.6
171.11705	20.5
173.13344	19.7
175.14838	15.0
185.13237	13.0
187.14772	12.4
189.12752	29.5
189.16434	52.2
191.17990	15.3
198.18346	8.7
203.14297	12.9
203.18065	11.1
211.14771	12.6
233.15337	10.0
303.20331	8.9
337.27325	10.8
393.31409	11.3
407.32831	17.1
411.32571	18.9
413.70413	10.0
419.18707	8.8
435.32410	15.7
453.17941	23.0
453.33810	41.1
471.19061	64.4
471.25128	13.7
471.34357	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05522	6.1
56.62403	1.5
57.07088	2.4
58.62225	1.5
67.05509	7.2
69.07076	10.2
69.17355	12.4
70.86564	1.5
77.03531	1.6
79.05506	8.4
81.07067	23.9
82.41612	1.4
83.08619	5.2
91.05501	6.0
92.78606	1.4
93.07040	14.8
95.05004	2.0
95.08607	22.4
97.06538	3.8
97.10184	2.8
98.23357	3.3
98.95194	1.6
99.08068	1.7
105.07047	11.8
107.05006	1.6
107.08600	15.4
109.06544	3.7
109.10158	16.0
111.08112	1.8
117.07056	1.9
119.08590	16.2
121.06470	4.1
121.10153	20.0
123.08075	3.1
123.11714	8.8
125.06026	4.4
131.08612	3.7
133.10139	12.3
134.98213	4.6
135.08086	6.8
135.11726	4.5
137.09659	1.9
137.13297	2.4
139.07552	3.4
139.11336	1.8
143.08597	3.6
145.10123	13.2
147.07965	1.9
147.11681	7.7
149.09651	4.4
149.13315	2.4
153.09105	4.9
156.32942	1.5
157.10172	7.6
159.11725	9.9
161.09615	4.9
161.13295	2.6
163.11238	2.9
163.14822	2.6
165.09102	1.7
167.10640	3.2
169.10164	2.7
171.11740	5.8
173.09668	8.1
173.13329	5.3
175.11235	5.7
175.14703	2.1
177.09142	2.7
177.16501	2.3
181.12305	2.0
183.11697	2.2
185.13289	3.2
187.11232	7.0
187.14848	7.7
189.16345	7.2
194.07008	1.5
195.13815	1.9
196.12473	1.7
197.13324	3.1
197.36807	1.6
199.14894	2.9
201.16435	2.0
205.15921	4.0
207.17567	2.8
209.13472	1.9
211.14897	4.2
215.14325	9.6
215.17729	1.9
217.15939	6.2
223.17007	6.0
227.17944	2.3
229.15895	84.4
230.16338	6.3
231.17410	7.8
233.15373	19.3
237.18425	2.1
243.17441	2.8
247.16949	13.7
257.19128	4.3
270.94202	1.6
283.20566	10.1
297.22171	2.4
339.27142	1.7
358.31985	1.6
367.36041	1.9
407.32480	1.6
435.32559	13.6
453.33701	65.3
454.34048	6.1
471.18661	3.1
471.24176	2.9
471.34741	100.0
472.35107	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	471.347
Annotation	Lippiolide
Peak:m/z	Relative Intensity
53.03934	1.7
55.05501	7.5
55.40714	0.9
57.07068	2.8
67.05505	13.0
69.03422	1.4
69.06728	1.3
69.07072	20.3
70.83521	1.5
70.83842	1.1
71.04971	1.0
77.03917	1.1
79.05489	6.0
81.07058	22.8
83.04982	1.0
83.08621	4.9
89.80224	1.1
91.05486	5.7
93.07037	15.0
95.04927	2.1
95.08608	42.3
96.08920	1.0
97.06519	1.4
97.10146	3.5
102.34404	0.9
105.06374	1.1
105.07031	11.4
107.07867	1.2
107.08595	21.6
108.08917	1.5
109.06498	3.3
109.10159	31.3
111.08081	2.1
111.11721	7.1
119.08576	16.2
120.08870	1.1
121.06509	2.1
121.09287	1.5
121.10140	20.3
123.08075	15.0
123.11709	11.4
125.05984	1.3
125.09605	0.9
127.11208	1.3
131.08565	4.9
133.10138	11.4
134.10440	1.6
135.08026	3.3
135.11688	12.0
137.09633	10.7
137.13258	8.3
139.07539	1.1
139.11176	2.6
143.08571	1.2
145.10115	7.5
145.13483	1.0
147.08049	1.2
147.11678	6.9
149.09602	2.9
149.13245	7.2
151.11131	2.0
151.14812	1.4
157.10114	3.4
159.11708	10.9
161.09633	2.7
161.13293	7.9
163.11160	3.7
163.14792	3.7
164.15132	1.0
165.09119	1.8
165.12694	3.1
171.11647	4.0
173.09645	2.4
173.13249	6.2
175.11226	2.3
175.14795	4.2
175.59207	1.0
177.12744	5.7
177.16377	3.9
179.14291	2.0
181.12167	1.5
183.11655	1.8
185.13197	2.5
187.11221	1.2
187.14771	4.6
188.15250	1.6
189.12737	1.4
189.16418	7.4
191.14328	2.5
191.17978	7.7
199.14760	1.9
201.12701	1.7
201.16299	3.0
203.14218	1.9
203.17978	3.7
204.18144	1.0
205.12265	4.0
205.16049	2.0
205.19478	4.0
207.13728	0.9
211.14745	1.6
213.16310	1.1
215.14249	1.2
215.17886	2.7
217.15799	1.5
217.19487	2.9
219.13820	2.5
219.17497	2.3
227.17949	2.1
229.15849	2.2
229.19370	1.9
231.17381	2.1
231.21034	4.1
233.15332	3.8
235.17110	1.1
241.15773	1.0
241.19528	1.9
245.15269	1.3
247.16856	1.5
255.21083	5.2
273.22159	8.5
283.20462	1.4
315.26636	1.4
327.26678	2.8
329.24719	2.6
351.30426	1.6
369.31412	2.6
383.33078	6.2
384.17810	1.0
393.31357	1.8
411.32568	100.0
412.33029	9.4
435.32288	1.2
453.33664	8.8
471.34561	34.3
472.35086	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	471.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61754	3.1
55.05514	14.4
57.07069	8.5
67.05508	28.2
69.07063	28.8
70.36127	9.4
71.08633	3.5
79.05479	14.1
81.07055	59.8
83.08615	17.6
91.05476	14.5
93.07046	41.4
95.08606	100.0
97.10181	7.6
98.18826	3.2
105.07037	31.9
107.08596	64.8
109.06508	8.6
109.10160	84.6
111.08051	4.1
111.11705	7.1
117.07008	3.7
119.08585	45.4
121.10144	51.1
123.08093	3.9
123.10895	6.2
123.11716	57.8
131.08577	11.0
131.66147	3.6
133.10136	33.3
135.11696	38.8
137.05989	4.8
137.09573	3.5
137.13260	22.6
145.10138	14.5
147.11687	25.1
147.95532	3.3
149.13272	22.0
151.14830	5.0
153.12796	6.0
157.10245	4.3
159.11711	14.5
161.13249	42.2
163.14828	14.5
164.03654	3.4
170.92326	3.0
171.11734	6.1
173.13298	13.4
175.14864	14.3
177.12756	3.7
177.16420	12.1
179.14337	5.1
185.13287	4.5
187.14781	15.2
189.16415	11.8
191.14310	7.7
201.16386	6.2
202.13048	3.3
203.17917	15.0
205.15909	9.6
205.19604	8.7
215.17961	5.4
217.19530	6.8
219.21092	6.7
223.17361	3.3
228.30615	3.4
229.19521	5.5
231.21107	10.4
232.36546	3.4
247.20532	3.3
255.21309	3.8
257.44995	3.3
265.18088	8.5
283.24194	6.2
293.21136	5.1
297.25510	4.4
307.22665	6.0
319.19315	5.0
357.84189	3.4
393.35083	12.3
411.36520	7.1
453.32785	4.6
453.37961	5.7
471.34097	21.0
471.38495	32.0
472.38837	6.9
481.87659	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	471.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.6
57.07068	3.6
57.44609	3.0
59.04998	4.5
67.05492	12.1
69.07080	27.3
69.30342	19.6
73.06575	4.8
79.05483	9.6
81.07048	34.0
83.08624	9.2
88.88581	3.2
91.05489	7.3
93.07048	18.4
95.07574	3.1
95.08616	48.3
96.35333	3.5
97.06548	5.0
97.10178	4.9
105.07040	19.5
107.05021	3.8
107.08592	37.2
109.06503	7.2
109.10175	41.9
111.08115	7.7
119.08576	28.8
121.10129	32.7
123.08076	5.7
123.11714	22.4
131.08566	6.2
133.10109	19.0
135.11693	20.6
137.09621	6.1
139.15327	3.1
145.10161	12.5
147.11702	10.7
149.13261	7.3
151.11185	11.5
157.10101	4.8
159.11684	9.1
161.13257	15.6
163.11096	4.2
163.14824	9.9
165.12859	5.2
171.11649	3.1
173.13246	4.9
175.14824	18.6
177.12856	4.7
177.16359	42.4
185.13171	3.8
187.14864	4.7
189.16354	14.1
193.15916	4.2
201.16422	7.9
203.17924	4.4
207.17410	5.0
215.17854	4.9
217.15903	14.7
219.17444	100.0
220.17781	5.5
233.19019	14.9
263.04727	3.3
439.35837	9.0
471.38718	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
53.03949	5.3
55.01870	4.3
55.05517	0.9
57.03439	2.5
61.02921	2.7
67.05504	2.5
68.99795	1.4
69.03082	0.8
69.03431	10.7
69.07072	1.0
71.04973	2.1
73.02925	3.8
73.95210	0.4
76.34982	0.4
77.03914	0.6
79.05485	1.8
81.03417	12.1
81.07063	1.9
83.01334	0.5
83.04933	0.5
85.02903	30.7
85.06527	1.1
86.03233	0.6
87.00827	14.2
91.03947	1.0
91.05475	1.8
92.20886	0.4
93.07034	1.0
95.04970	3.3
95.08603	1.7
97.02892	17.2
97.06540	0.5
98.22530	0.6
99.04453	5.8
103.03951	0.8
105.01888	17.4
105.03391	100.0
105.07036	1.3
106.03727	1.9
106.07333	0.7
107.08591	0.7
109.02881	11.7
109.03630	0.4
109.10188	1.3
111.04427	0.7
115.03899	0.5
117.01840	1.7
117.06966	0.6
119.08566	1.2
121.10146	0.8
122.10514	0.5
123.04459	2.2
127.03917	27.1
128.48843	0.5
129.01833	1.4
131.05292	0.4
133.10101	0.7
145.04959	14.5
145.10115	1.4
147.02925	1.3
147.11778	0.5
159.02882	7.9
165.09119	0.8
171.11649	0.5
177.03975	0.5
189.09100	39.9
190.09465	1.6
193.08580	0.6
211.09526	0.7
213.03963	1.0
231.05000	6.4
249.06015	1.1
302.63663	0.5
310.62436	0.5
315.10715	0.5
386.95801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
51.57379	0.2
53.03948	3.5
54.33096	0.2
55.01876	2.1
55.05501	0.3
57.02274	0.3
57.03436	0.9
61.02920	0.7
65.03946	0.4
67.05508	2.5
68.05840	0.2
68.99788	0.6
69.03074	0.4
69.03428	4.5
69.07068	0.5
70.50594	0.2
71.04993	1.0
71.30643	0.4
73.02924	1.1
75.30247	0.2
77.03940	0.9
77.26387	0.2
79.05492	1.1
81.03416	5.0
81.07054	1.2
83.01331	0.3
83.04975	0.3
83.08642	0.3
85.02906	12.1
85.06530	0.7
86.03223	0.3
87.00829	5.3
91.03968	0.5
91.05492	1.7
93.07069	0.6
95.04969	3.3
95.08611	1.0
97.02889	5.0
99.04452	2.1
103.03941	0.2
105.01943	4.3
105.03391	100.0
105.07013	0.6
106.03725	2.2
107.08585	0.6
109.02197	0.4
109.02884	4.5
109.06509	0.3
109.10177	0.5
117.01862	0.8
117.07031	0.6
119.08580	0.5
121.10121	0.5
122.10464	0.3
123.04436	1.3
123.11694	0.4
127.03918	8.9
128.04285	0.3
129.01833	0.5
131.08655	0.2
133.10187	0.4
139.16115	0.2
145.04973	5.2
145.10127	1.1
147.02945	0.5
147.08009	0.4
159.02885	3.6
165.09117	0.2
185.13191	0.2
187.14848	0.3
189.09108	42.9
190.09436	1.6
213.04004	0.5
221.27739	0.3
224.17189	0.3
231.05005	1.8
290.16617	0.2
456.42670	0.2
472.31201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01879	1.8
55.05511	5.4
57.03431	1.6
67.05504	9.2
69.03426	9.3
69.07077	3.7
70.06587	3.1
70.56527	2.7
71.05013	3.5
72.08204	1.8
73.02943	2.2
79.05500	6.4
81.03430	4.0
81.07063	8.3
83.04983	2.4
83.08703	1.2
85.02908	26.3
85.03420	1.5
85.06525	2.2
86.09718	3.9
91.05478	11.6
93.07038	7.6
93.14320	1.4
95.04954	2.9
95.08598	7.5
97.02908	6.5
97.06538	2.9
98.06906	1.4
99.04466	1.3
103.05491	1.8
105.07034	14.5
106.07379	2.3
107.04917	1.5
107.08600	7.1
109.02876	3.7
109.06551	2.0
109.10162	3.4
111.08085	2.1
113.06065	1.3
115.05490	2.1
117.07018	6.7
118.36961	1.5
119.08584	19.0
120.08892	1.8
120.15194	1.3
121.06545	1.7
121.10174	4.0
122.10499	1.8
123.08105	3.0
123.11702	2.8
127.03945	9.0
128.06245	3.7
129.07014	3.4
130.07808	2.6
131.08600	5.7
133.06509	10.7
133.10175	4.6
134.10532	1.7
135.08020	1.5
135.11670	2.0
137.06004	2.5
139.11246	1.4
141.06982	2.1
143.08574	3.8
144.08919	1.6
145.04962	10.1
145.10115	23.2
146.10481	1.5
147.08064	3.1
147.11702	32.2
148.12062	1.7
149.09605	2.2
156.09354	6.8
157.10168	2.1
159.08043	2.8
159.11670	2.0
161.09680	3.1
163.06042	2.7
163.07451	1.6
165.09160	1.6
171.11696	7.2
173.09729	1.4
173.13339	2.8
187.14835	3.1
189.12752	100.0
190.13113	5.8
195.18266	1.3
203.14366	2.5
204.14647	1.7
207.13890	1.7
454.30756	1.4
472.31500	6.6
473.26849	2.0
473.33557	1.7
482.06824	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32099	0.4
53.03935	1.0
55.01864	0.5
55.05273	0.8
55.05518	8.9
57.03442	10.5
57.07077	2.3
58.99593	2.1
61.02896	0.5
67.05509	13.3
68.05846	0.5
69.03430	2.4
69.04353	3.6
69.04767	0.6
69.07069	1.9
71.04999	2.4
71.08636	4.5
79.05489	2.3
81.03410	1.3
81.07058	5.3
83.04980	1.6
83.08620	2.8
85.02905	5.0
85.06546	1.8
86.99073	3.5
91.05494	1.3
93.07038	2.3
95.04976	2.5
95.08618	1.2
97.02895	1.0
97.06545	0.6
99.04480	0.9
99.08105	3.8
105.00107	7.6
105.07044	1.9
107.08582	1.8
109.02870	0.7
109.06561	1.1
109.10162	10.5
113.04198	0.7
119.08568	1.0
121.10111	1.0
123.08056	0.7
123.11706	0.6
127.03915	1.7
127.11200	100.0
128.11513	2.4
129.07016	1.0
133.10153	0.8
135.11684	0.6
143.08557	0.7
145.04919	0.9
145.10104	1.5
147.07959	0.6
147.11601	0.6
153.12717	2.3
157.10400	0.8
159.04771	3.0
159.08215	0.5
159.11720	0.7
161.09595	0.5
171.79568	0.5
183.12100	0.5
185.10001	0.9
189.12788	0.6
203.62056	0.4
207.13857	0.7
211.11530	0.8
214.18024	1.5
229.12337	0.5
231.10522	1.3
249.11601	1.8
275.13113	2.2
472.18829	1.3
473.27209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91644	3.1
55.05510	11.5
55.38675	3.1
57.07067	5.8
57.42521	2.7
64.03333	3.3
67.05500	16.6
69.07070	30.2
69.12719	7.0
69.13128	23.6
71.04996	3.7
79.05497	7.5
81.07057	32.0
82.07396	4.0
83.05001	4.1
83.08628	11.3
85.73411	3.0
91.05499	10.0
92.58224	3.2
93.07051	24.1
95.04980	11.1
95.08611	56.0
97.06548	4.1
99.08118	3.1
105.07051	21.0
107.08599	41.2
109.06541	5.9
109.10169	34.8
110.10506	5.1
111.08119	5.3
111.11743	9.5
119.08593	36.8
121.10154	40.4
122.10474	3.9
123.08089	7.4
123.11705	24.0
124.12022	2.9
127.11251	4.4
131.08586	8.8
133.10143	26.6
135.08072	11.3
135.11685	25.6
137.09647	8.0
137.13263	8.4
145.10139	14.6
147.11719	12.4
149.09651	8.4
149.13286	10.6
151.11197	5.7
151.14810	6.2
157.10115	5.1
158.10843	4.9
159.11659	16.2
161.09619	5.4
161.13261	12.0
163.11171	13.9
163.14857	5.2
171.11682	3.9
173.13304	10.5
175.11224	9.4
175.14828	7.1
177.12750	19.2
177.16467	10.1
181.12190	6.6
185.13301	3.8
187.14893	11.2
189.12764	6.4
189.16447	12.7
191.14284	3.1
191.17981	14.3
199.14970	3.7
201.16422	10.0
203.14372	4.7
203.17964	8.6
205.12280	10.6
205.15930	18.5
205.19612	5.2
215.17836	4.1
219.17407	15.9
223.16914	63.1
231.17278	5.3
233.15605	4.8
233.19009	47.2
283.26523	4.6
369.31424	5.0
370.31799	12.8
409.34744	4.1
411.32404	4.2
412.32935	54.5
413.33490	7.4
419.32974	10.5
427.36194	4.0
432.28647	3.9
436.33020	4.7
437.34222	100.0
438.34683	8.9
454.34061	15.9
455.35175	27.9
472.22873	4.3
472.34851	46.3
473.19012	17.5
473.36325	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	473.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.8
69.01563	1.0
69.01971	3.7
69.03439	0.6
70.06587	1.5
72.08155	2.3
79.05475	0.6
81.03421	0.7
84.04505	0.6
84.08144	0.6
85.02896	1.1
86.09715	6.3
91.05497	0.7
93.07029	1.1
95.08611	0.7
95.93552	0.6
97.02887	0.5
105.07000	0.8
107.08615	0.9
109.02856	0.5
109.10212	0.5
111.04439	0.5
117.07124	0.5
119.08556	1.1
121.10117	0.7
130.69899	0.5
131.08553	0.5
132.67937	0.5
133.10139	0.8
135.63782	0.6
138.63011	0.4
139.43021	0.5
143.03162	0.7
146.77457	0.4
165.09181	0.6
181.38173	0.5
189.12828	0.8
203.05290	6.6
207.13789	0.8
215.14082	0.6
225.14859	1.4
243.13541	1.1
249.14587	3.2
251.12563	0.6
290.88214	0.5
293.13632	1.5
293.26572	0.5
311.14667	14.7
312.14957	0.6
392.36234	0.6
393.60312	0.5
411.19891	1.2
413.17627	1.2
425.30511	1.5
471.54248	0.5
473.19891	100.0
474.20239	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84464	0.6
53.03948	3.3
55.01884	3.0
55.05503	3.4
57.03441	2.3
61.02944	1.2
63.58709	0.8
67.05517	2.9
67.41096	0.7
68.99802	1.0
69.03432	10.2
69.04488	0.8
69.07066	6.0
69.33638	3.9
69.34058	1.2
70.06590	17.7
70.06950	1.1
71.01339	0.9
71.04987	1.5
71.06917	1.5
72.08155	16.0
72.08533	1.2
73.02926	2.4
79.05485	4.7
81.03417	8.2
81.07061	5.4
81.70631	0.6
83.05012	2.9
84.04520	1.6
84.08175	2.3
85.02907	16.2
85.06564	2.3
86.09703	58.7
87.00819	7.0
87.10065	1.5
91.05482	5.3
93.07046	8.1
93.46593	0.7
95.04969	11.8
95.08633	1.9
97.02887	5.6
97.06558	2.9
98.60983	0.7
99.04452	4.3
100.11301	1.1
103.03996	1.1
105.01875	4.4
105.07032	8.5
107.05007	2.0
107.08590	6.5
109.02878	7.7
109.06522	3.9
109.10175	0.9
111.04482	1.2
111.08089	0.9
111.11794	0.6
117.07072	2.2
118.06590	1.1
119.05005	0.7
119.08562	8.3
119.09306	0.6
120.08146	1.0
121.06552	1.8
121.10134	6.9
121.84908	0.7
123.08087	5.4
123.11722	0.8
125.06026	2.5
127.03915	12.3
127.04764	1.0
129.01898	1.7
130.05023	0.8
130.07837	0.9
131.08600	3.2
133.06473	1.0
133.10181	1.9
134.06024	1.1
135.08136	1.4
135.11783	2.0
136.07680	0.7
137.06042	2.2
139.07614	1.5
139.11183	1.3
143.07149	0.7
143.08592	1.5
145.04956	5.4
145.10126	7.6
145.11130	0.9
146.06099	2.4
147.02896	0.8
147.04518	1.2
147.08096	0.9
147.11682	3.2
148.06047	3.4
148.99818	0.7
149.09676	2.1
151.07535	13.0
159.02887	5.6
159.08067	0.8
159.11783	1.7
161.13350	1.1
163.11180	30.1
165.12802	1.0
169.13446	0.7
171.11662	1.4
173.09634	1.0
173.13347	1.9
179.14388	1.6
181.12320	2.4
185.16498	11.7
187.11316	2.8
189.12782	6.5
191.10770	2.3
191.14436	1.9
203.05307	1.4
205.12367	2.8
207.13808	14.8
207.15579	1.0
209.11845	2.0
211.07671	0.6
213.12654	0.8
213.15993	9.9
215.10782	1.8
223.13414	1.8
225.14856	5.7
229.03635	1.0
231.04976	3.1
233.11833	1.5
251.12930	0.7
261.14444	17.5
261.80798	0.8
293.17249	3.4
295.19049	1.2
311.18521	2.7
326.24619	1.3
355.17297	0.7
395.13559	1.0
403.15524	0.7
422.24927	0.8
423.22028	2.3
423.72238	1.6
429.17529	1.5
437.14728	0.9
455.19647	0.8
472.36185	0.8
473.23865	100.0
474.24121	6.1
490.81299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
54.18909	3.0
55.01868	7.0
55.05507	6.8
57.03432	8.2
61.02908	4.4
67.05492	14.7
68.99783	3.8
69.03424	37.6
69.07075	8.2
70.06585	9.3
71.04988	10.6
72.08143	10.7
73.02917	6.7
79.05486	10.9
81.03410	24.7
81.07054	13.9
82.72563	3.1
83.04972	9.3
83.08600	3.6
85.02903	61.9
85.06542	4.8
86.09702	43.0
87.00827	20.5
88.39535	2.7
91.05480	11.1
92.96785	3.3
93.07037	20.5
95.04953	5.8
95.08594	25.2
97.02901	27.7
97.06548	5.0
98.22537	6.8
99.00904	2.7
99.04459	14.0
99.08112	4.0
105.01841	16.6
105.07009	24.1
107.04948	4.6
107.08568	20.0
109.02875	19.9
109.06527	9.2
109.10155	7.0
111.08111	6.6
114.92265	2.6
117.01844	3.5
119.08574	18.1
121.06510	4.1
121.10150	26.3
123.08055	22.2
127.03909	38.0
127.07558	5.6
129.06996	4.9
131.08563	6.9
133.10150	11.6
135.08078	6.3
135.11720	4.7
137.09619	19.9
145.04971	13.5
145.10147	9.5
147.08064	5.2
147.11702	18.1
149.09628	49.7
151.07558	12.8
159.02924	14.1
159.11674	3.7
161.09679	4.0
161.13249	18.8
163.11209	15.3
165.09120	6.5
165.12784	10.0
171.11732	7.7
174.10396	3.8
177.12698	5.0
179.14308	11.4
185.16502	5.4
189.12733	49.2
189.14362	4.0
201.12529	2.9
205.12239	12.2
207.13806	100.0
208.14304	6.7
209.85812	2.9
213.16069	3.6
216.43033	3.0
225.14856	61.0
226.15256	5.1
231.05040	7.3
261.14346	3.5
287.83661	2.8
292.26413	7.4
293.26758	6.2
305.17850	3.0
311.14789	7.0
311.18231	4.9
315.15854	3.2
434.87811	3.9
462.05444	2.9
473.20074	46.0
473.23257	45.9
474.21021	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	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01867	2.7
55.05509	3.0
57.03425	1.9
61.02916	1.7
61.21542	0.8
65.03899	1.0
67.05495	2.9
68.99799	1.1
69.03426	10.0
69.07050	4.7
70.06596	8.1
71.04978	3.7
71.11239	1.0
72.08157	7.5
73.02922	2.4
79.05489	3.6
81.03410	7.9
81.07065	4.6
83.04975	3.6
83.76996	0.8
84.08147	2.2
85.02911	15.8
85.06542	2.5
86.09704	28.0
87.00828	5.3
91.05469	5.3
93.07056	4.5
95.04980	6.6
95.08627	5.2
97.02905	7.0
97.06518	2.1
99.04468	5.0
99.05006	0.9
99.08131	1.1
103.05474	1.2
105.01851	3.3
105.07034	8.6
107.04945	1.7
107.08595	5.9
109.02877	8.7
109.06480	4.0
109.10166	2.1
111.08068	1.2
113.06018	1.8
113.09615	1.7
117.07060	1.3
119.08580	13.8
121.06505	1.4
121.10142	12.3
123.08049	7.1
123.11736	1.1
125.05988	1.2
125.09619	1.4
127.03913	12.2
127.07607	1.4
128.06235	1.1
129.07086	1.1
131.08575	3.5
133.10129	3.0
135.08075	2.0
135.11714	1.7
137.06000	1.3
137.09628	1.2
137.13297	1.3
143.08569	1.5
145.04961	3.8
145.10115	3.6
147.04440	3.2
147.08008	1.6
147.11710	8.5
149.09621	3.4
151.07549	2.8
151.11237	1.0
156.09351	1.3
159.02893	2.9
159.11691	1.4
161.13258	6.5
163.11168	5.8
165.12778	2.8
167.10678	1.5
171.11708	2.4
173.09561	1.1
173.13252	4.5
177.12807	1.9
179.14369	5.5
181.12289	0.9
185.16516	5.7
189.12764	9.8
191.10727	1.3
191.14322	3.9
203.05341	1.5
207.13783	25.3
213.12360	0.9
213.15948	4.7
225.14835	16.1
231.05028	2.0
249.14911	1.1
261.14389	9.2
293.14267	1.0
293.17282	4.7
295.18823	2.6
311.18326	3.3
369.18625	1.6
423.21692	1.2
429.16714	1.1
437.15369	1.0
443.22638	1.0
473.23901	100.0
474.24329	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	473.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.5
56.96563	12.2
57.01645	1.6
57.03449	7.5
67.05508	12.9
69.07059	5.4
71.32333	1.9
79.05498	5.1
81.07059	15.6
83.08620	3.3
91.05481	3.7
91.44440	1.6
92.48127	1.7
93.07032	5.4
95.08612	13.3
97.10136	1.5
98.98446	13.4
102.92644	2.4
105.07021	3.5
107.08595	7.0
109.10175	6.4
118.92094	4.1
119.08592	5.0
121.10139	5.7
123.11737	2.7
133.10129	5.1
134.98187	3.1
135.11732	3.7
136.93120	21.2
136.94043	16.9
136.99973	10.0
143.08604	1.9
145.10039	1.9
147.11684	2.1
149.13252	2.5
154.94177	50.3
155.01050	11.2
155.08434	1.6
165.09233	1.7
172.95241	76.3
177.95827	2.1
190.96294	34.8
192.95847	1.8
193.02727	2.2
195.96812	3.7
210.96793	15.1
211.03699	4.0
212.98347	2.5
213.98076	2.8
228.97858	30.6
246.98996	6.1
319.19431	20.7
320.19592	1.7
337.20517	31.7
337.26959	9.1
338.20984	3.3
360.21939	2.6
393.09686	2.8
399.16016	3.6
413.69846	1.6
417.16586	1.7
437.34097	4.0
455.18658	22.4
455.35370	3.2
473.19873	100.0
473.26312	7.1
474.20099	8.9
496.21475	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	473.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
55.05535	1.8
57.03435	7.5
57.07087	1.7
61.02932	7.2
67.05512	3.1
69.03430	16.6
70.06611	6.2
71.01360	3.4
71.04996	1.5
71.35104	1.5
72.08162	3.2
73.02917	38.6
74.49047	1.2
75.07087	1.6
79.05487	2.2
81.03429	7.3
81.07072	3.9
83.05003	2.3
84.08135	1.8
85.02900	30.6
86.09705	11.8
87.04482	3.5
91.05507	4.0
93.07077	4.1
93.94855	1.3
95.04970	1.6
95.08623	5.9
97.02893	20.7
104.30894	1.3
105.07016	7.5
107.08626	5.5
109.02863	3.0
109.10229	3.0
115.03919	11.0
115.05449	1.7
117.07048	5.7
119.08619	5.8
121.10187	3.8
127.03927	8.5
128.06210	1.8
128.30646	1.3
129.07037	3.4
130.06607	4.2
131.08606	2.9
132.08205	1.9
133.04974	7.7
133.10155	2.1
133.99005	2.0
135.08115	4.2
135.11716	2.2
137.06041	3.8
141.07045	1.8
143.07373	10.3
143.08472	3.2
144.08083	97.9
144.58406	1.4
145.04935	8.7
145.08479	3.9
145.10127	3.0
147.11725	4.3
149.09740	1.4
156.08061	7.3
157.08997	2.7
157.10172	2.9
158.09657	38.6
158.10858	2.3
159.09952	1.6
159.11826	4.0
160.07602	7.7
162.07817	2.3
162.09140	61.6
163.06049	4.5
163.11125	1.4
167.07367	2.2
168.08083	9.6
170.09715	2.5
172.07590	2.3
173.13264	1.7
174.09154	12.3
182.09737	2.1
182.12924	1.7
183.11647	2.5
184.07677	5.8
185.13324	3.6
186.09129	39.5
187.11226	1.6
199.14772	1.7
201.12747	2.3
203.05460	2.3
203.14363	4.0
203.75082	1.7
204.10191	68.5
205.10611	2.8
215.14207	1.5
216.10175	1.6
219.13918	1.6
222.09258	1.9
223.06133	4.6
224.06483	1.7
224.10756	1.6
225.11092	1.6
225.14835	1.8
227.14452	1.6
228.10339	3.9
240.10330	4.1
252.10294	2.4
258.11292	10.0
270.11356	4.6
276.12308	18.9
288.12244	10.8
293.17407	5.4
294.13361	8.7
306.13351	24.6
306.16550	1.7
318.13425	2.3
324.14569	5.3
378.86804	1.7
419.29523	2.3
420.16745	6.3
425.30380	20.6
429.17590	5.9
438.17477	9.9
455.22342	1.9
473.16006	4.4
473.23047	100.0
473.32678	4.9
474.16782	2.8
474.23453	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	473.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38703	1.3
53.92953	1.4
55.01867	4.5
55.05517	1.7
57.03439	6.8
57.64613	1.6
59.04991	1.8
61.02927	5.1
67.05508	2.9
69.03425	13.8
69.07069	2.7
70.06593	3.0
70.58503	3.0
71.01357	2.5
72.08168	3.5
73.02921	39.8
73.85207	1.3
79.05492	2.4
79.56213	1.3
81.03425	7.4
81.07074	2.5
83.08661	1.7
85.02911	30.3
86.09704	9.8
91.03956	1.7
91.05508	4.4
93.07061	3.0
95.08611	4.2
97.02899	21.6
97.06522	1.6
99.04456	2.8
103.03986	3.5
105.07006	2.8
107.05007	1.6
107.08629	5.7
109.02907	3.1
109.10213	1.9
112.04526	1.6
115.03935	9.1
117.07063	4.7
118.06557	1.8
119.08615	4.9
121.10172	2.0
127.03922	7.6
129.07030	3.1
130.06592	6.2
131.08640	3.4
132.08089	2.7
133.04990	6.9
133.10196	3.0
135.08054	4.2
137.06030	3.4
143.07344	9.6
143.08475	2.8
144.08093	100.0
145.05009	8.7
145.08456	5.4
145.10175	3.0
147.11700	2.9
156.08131	8.4
157.08864	4.9
157.10120	2.3
158.09657	43.2
159.11731	2.1
160.07631	6.5
161.09619	1.9
162.09148	62.6
163.09601	1.9
163.11150	1.6
167.07321	2.4
168.08151	6.5
170.09615	3.3
171.11736	2.2
174.09126	12.0
180.08188	1.8
182.09729	1.6
183.11575	1.7
184.07681	6.4
186.09145	40.2
186.10651	2.9
189.12971	1.8
194.09866	2.6
198.09181	3.0
201.12726	1.8
203.14366	2.7
204.10208	63.7
205.10637	4.6
210.09285	1.9
212.10791	2.3
215.14201	1.4
216.10217	3.0
222.09213	1.6
223.06009	2.9
224.06461	1.9
224.10765	2.4
225.06697	1.9
225.14836	2.5
228.10307	2.8
233.56320	1.5
240.10252	5.1
252.10278	2.5
257.06992	1.4
258.11295	11.6
270.11426	4.3
276.12305	21.0
276.14966	1.9
277.12756	2.0
288.12344	12.5
293.17294	2.5
294.13431	8.3
306.13361	23.0
307.13663	2.4
307.20575	1.8
324.14590	5.7
336.14661	2.0
402.15753	1.8
420.16925	4.5
425.30365	10.8
429.16946	3.5
437.30737	1.9
438.17664	9.8
473.22839	70.3
473.32986	6.2
474.23505	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	473.2358
Annotation	Tyr Lys Tyr
Peak:m/z	Relative Intensity
55.05506	0.3
56.90602	0.3
59.79614	0.3
65.86655	0.2
66.83405	0.2
69.03410	0.3
70.06592	2.2
71.06924	0.3
71.31565	0.3
72.08152	2.0
83.16530	0.2
84.04507	0.7
84.08154	1.2
85.02906	0.6
86.09708	2.6
91.05445	0.2
97.02903	0.3
101.34035	0.3
102.05517	0.4
103.05486	0.4
107.31181	0.2
110.07181	0.5
119.04988	0.3
127.03891	0.5
129.10231	1.1
136.07590	0.5
145.10121	0.9
147.04419	0.3
149.05933	0.3
165.00093	0.4
167.07086	0.3
169.06183	0.4
191.10706	0.4
193.08594	0.3
199.00604	0.3
203.05450	0.3
207.06714	0.5
227.99826	0.3
246.26826	0.2
269.07993	0.2
311.18460	1.0
327.06488	0.6
401.40396	0.3
413.07498	0.3
455.22638	0.5
473.23627	100.0
474.23941	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	1.6
55.05275	1.4
55.05519	19.8
57.03452	7.2
57.07082	7.5
65.03989	1.0
67.05505	20.2
68.51228	1.3
69.07071	26.1
70.11897	2.7
70.12225	2.5
71.08654	5.8
75.92210	1.1
79.05500	8.8
81.07060	28.2
83.05013	1.6
83.08625	16.6
85.10175	1.8
91.05491	3.2
91.41989	1.1
93.07055	17.0
95.08612	27.6
97.06563	2.6
97.10171	10.0
105.07040	4.8
107.08601	14.2
109.06484	1.2
109.10156	17.5
111.11709	2.6
119.08576	8.7
121.10146	16.4
123.11717	7.8
131.08539	1.2
133.10152	6.2
134.98193	100.0
135.08060	1.7
135.11690	8.9
137.13312	2.2
143.08533	1.3
145.10172	2.1
147.11681	6.5
149.13266	3.7
151.14844	1.5
157.10175	1.4
159.11639	3.2
160.99281	1.1
161.13304	2.8
163.14809	3.4
173.13283	2.7
175.14836	4.0
176.00777	1.3
177.16383	4.3
187.14876	1.9
189.16466	1.7
189.79703	1.1
191.17984	2.8
201.16406	3.2
203.17982	2.9
205.12274	1.5
205.19444	1.4
209.01974	1.6
217.19539	1.5
224.94765	1.2
233.18752	1.1
243.21164	1.8
249.15047	1.7
257.22754	1.8
266.12488	1.4
271.19739	1.3
273.21942	1.3
286.51849	1.6
288.54492	1.2
307.27286	1.4
313.17023	1.5
329.29037	1.2
339.28934	46.3
340.29236	2.9
361.27161	4.4
367.26340	1.7
419.33411	1.8
427.35699	4.5
437.34335	9.0
455.35425	7.6
473.19809	2.5
473.26395	38.7
473.36432	9.5
474.26303	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82745	2.7
51.93950	2.9
53.03945	5.2
55.05515	60.8
57.03442	36.9
57.07078	56.1
67.05505	61.0
69.07070	86.4
69.10699	9.5
69.11111	19.6
71.05006	6.1
71.08636	33.1
75.04478	16.9
79.05494	31.2
80.04359	3.3
81.06583	5.3
81.07060	92.3
83.04960	6.3
83.08623	62.6
85.06551	6.0
85.10203	19.2
87.04462	4.4
91.05501	9.0
93.07040	44.3
95.08611	93.1
97.06516	17.2
97.10172	32.1
98.23412	4.8
105.07047	7.3
107.08582	36.7
109.10147	42.7
111.08115	11.6
111.11017	3.7
111.11745	11.5
115.07521	4.1
119.08613	9.1
120.39983	3.0
121.10137	51.1
123.11710	25.2
125.09638	13.1
125.13300	5.2
131.08598	3.9
133.10155	9.7
134.99730	3.1
135.11691	34.6
137.13266	6.1
139.11192	11.0
145.26047	2.9
146.33072	3.2
147.11732	7.6
149.13264	20.4
151.11150	4.2
153.12747	6.3
154.94173	5.9
161.09709	3.7
163.14842	12.1
167.14349	4.3
172.95255	6.6
173.13295	5.5
175.14867	5.9
177.16457	7.7
181.15874	6.2
187.14893	4.2
189.16393	5.9
190.96297	4.5
191.17976	5.6
195.17514	6.3
209.19104	5.8
228.97992	4.2
236.14861	6.7
261.25793	10.0
279.26807	19.3
289.25314	10.4
307.26245	27.3
343.28439	100.0
344.28778	4.1
381.29941	48.4
395.00162	3.7
399.31030	46.4
455.34021	22.2
473.19614	11.1
473.35275	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01878	4.5
55.05515	55.4
56.98742	1.8
57.03443	23.1
57.07081	34.9
59.04998	2.3
59.40575	1.7
65.03954	2.3
66.12164	1.9
66.27077	1.8
66.70728	1.9
67.05511	60.9
69.03434	3.0
69.07073	68.0
71.05003	4.7
71.08635	18.5
71.27770	2.1
71.30693	3.6
71.54633	2.0
72.07643	1.8
73.06548	2.6
75.04482	4.8
79.05494	34.7
81.07066	82.7
82.07397	2.8
83.04980	6.2
83.08632	51.7
85.06548	5.6
85.10192	12.9
86.12589	2.0
89.92168	2.0
91.05466	15.1
93.06462	3.5
93.07053	47.2
94.07388	2.2
95.04974	5.4
95.08615	100.0
96.08927	2.9
97.06535	15.8
97.10182	26.4
99.04436	2.9
99.08092	8.0
99.11702	2.3
101.06037	2.3
105.04511	1.9
105.07044	24.8
107.08604	55.2
109.06550	7.4
109.10168	57.2
110.61636	1.8
111.08083	15.5
111.11736	10.5
113.06029	6.5
115.07539	3.1
117.07018	5.1
119.08588	36.5
120.08933	2.6
121.06499	5.5
121.10160	60.7
122.10510	3.4
123.08072	7.4
123.11723	32.6
125.09647	10.9
129.09123	3.9
131.08557	9.3
133.06517	2.3
133.10143	28.8
134.10425	3.8
135.08078	8.5
135.11707	39.9
137.09633	9.3
137.13274	9.9
139.11208	12.0
143.08566	3.5
143.10690	3.4
145.10121	17.3
147.08075	3.8
147.11688	15.7
149.09624	5.4
149.13271	25.9
151.11211	4.8
151.14847	6.2
153.09084	2.1
153.12729	5.6
156.09248	2.7
157.10165	9.9
159.08006	2.6
159.11720	12.7
161.09691	3.3
161.13252	12.8
163.11217	8.2
163.14876	11.1
165.09111	3.6
165.12750	2.4
167.14304	5.2
169.10124	3.7
171.11707	5.5
171.13817	2.3
173.09651	1.9
173.13318	9.7
175.11250	4.7
175.14864	11.6
177.09140	2.5
177.12804	4.5
177.16396	11.4
179.10718	2.8
179.14307	3.9
185.13243	7.3
185.15359	2.2
187.14825	9.1
189.12848	3.1
189.16394	19.8
191.14262	3.7
191.18013	10.4
193.15919	3.7
195.17380	4.0
197.13309	3.2
199.14795	4.9
199.98904	2.0
201.12616	2.5
201.16400	5.1
203.14323	3.7
203.17938	6.0
205.12306	2.3
205.15878	3.5
205.19501	4.5
207.17448	8.6
209.19017	3.7
213.16324	3.5
215.14398	4.7
215.17917	3.9
217.15904	4.2
217.19586	3.7
227.17953	2.6
229.15945	2.2
231.17473	2.1
233.15268	3.5
233.18843	2.8
239.17909	3.9
241.19270	2.8
243.17439	2.4
247.16968	2.2
249.18480	2.8
261.25735	11.5
275.20172	2.3
277.21896	2.3
279.26892	13.9
280.12540	2.2
285.18399	2.6
285.21838	2.0
289.25299	8.9
307.26407	17.1
325.27924	2.1
337.14542	2.1
343.28479	63.4
343.32651	3.8
344.28806	2.4
377.28217	2.3
381.29980	32.6
391.29767	2.2
395.25558	4.6
399.31030	38.5
409.30682	2.3
413.30826	2.4
427.32129	3.5
437.29709	3.4
437.34943	3.9
455.34326	13.9
473.35471	42.2
474.32813	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	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
53.18275	3.3
55.05520	24.8
57.03459	3.8
57.07079	10.5
57.69597	3.6
58.37302	3.6
67.05510	36.8
67.05850	5.9
69.03427	20.4
69.07073	58.7
69.18262	17.5
69.18688	13.2
71.04992	5.1
71.08634	6.9
73.02906	3.8
79.05497	17.3
81.07059	100.0
83.08624	39.3
83.17706	4.5
83.56591	3.5
85.02908	61.8
85.06535	8.0
91.05494	10.6
92.37953	3.8
93.07050	19.8
95.04998	6.8
95.08617	90.5
97.02890	13.2
97.06554	5.4
97.10175	16.5
97.87160	3.7
98.23333	4.2
99.04456	4.3
99.08118	8.9
105.07042	13.8
107.08602	26.5
109.02896	4.4
109.06498	5.1
109.10159	63.2
111.08109	8.9
111.11726	19.9
117.07088	6.0
119.08608	12.7
119.52973	3.5
120.12787	4.1
121.10155	16.6
123.11698	39.1
125.13287	12.7
127.03950	14.8
131.08569	6.3
133.10120	9.1
135.11684	11.1
137.13232	21.2
145.04977	18.7
145.10129	5.2
147.11668	5.1
149.13245	14.8
151.14845	7.4
159.11717	11.1
163.06000	19.5
163.11183	4.2
163.14822	7.9
165.16446	7.4
167.14542	4.0
173.13242	5.8
179.18077	4.7
187.14740	4.0
189.86365	4.0
191.14325	10.1
214.25214	3.8
219.21107	4.0
275.27362	5.3
281.15799	5.0
293.28384	13.0
338.77765	3.7
355.45959	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	473.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	7.0
55.05507	37.8
57.07072	14.1
62.78789	5.9
65.95279	5.4
67.05502	45.7
68.30859	5.7
69.03426	19.3
69.07071	49.0
69.10593	26.9
69.11026	22.3
71.04999	11.4
79.05480	28.7
81.03410	8.5
81.07057	92.9
83.04986	11.8
83.08615	18.8
85.02908	25.1
85.06524	13.7
91.05485	33.7
92.73587	5.4
93.07050	48.2
95.04977	12.5
95.08613	100.0
97.02899	7.8
97.06499	8.0
97.10171	11.4
97.72043	5.1
99.04456	7.0
99.08076	6.5
104.28268	4.9
105.04543	6.2
105.07035	50.9
107.08591	51.7
109.06493	17.5
109.10154	77.4
111.08093	11.0
111.11716	11.1
117.07029	8.3
119.08576	51.6
121.06547	16.7
121.10151	52.2
123.08025	15.3
123.11748	35.4
125.09645	13.0
127.03936	11.2
130.07939	5.8
131.08559	24.3
131.17264	6.1
133.06511	7.0
133.10120	47.7
135.08081	28.6
135.11705	30.9
137.09633	20.0
137.13269	14.8
142.07826	6.5
143.08531	10.0
145.10127	27.6
147.07994	8.4
147.11668	17.8
149.09637	14.9
149.13255	24.7
151.07509	7.4
151.11110	7.4
151.14746	6.8
157.10153	14.0
159.08003	6.6
159.11691	28.5
161.09645	9.0
161.13258	18.8
163.11183	14.1
163.14812	10.4
165.09146	80.2
165.12784	6.4
167.07008	6.9
167.14415	6.3
169.10109	7.9
171.11668	14.2
173.13297	24.8
175.11217	13.3
175.14827	12.3
176.15152	6.4
177.09145	14.5
179.78949	5.4
181.12262	6.9
185.13167	8.3
187.11226	7.5
187.14789	14.1
189.09074	10.6
189.12801	8.1
189.16414	11.1
191.10623	13.4
191.14380	8.0
197.13129	6.1
199.14864	6.9
203.10632	6.9
205.12244	14.0
209.15440	7.1
213.12846	7.4
215.14447	6.6
215.17938	10.3
231.13766	6.8
241.16037	7.4
249.18362	7.9
264.59985	6.7
289.05518	7.0
311.05374	7.4
314.08588	5.5
427.31665	10.4
437.34555	7.4
455.35565	14.0
473.23926	11.7
473.36197	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	473.3628
Annotation	Salaspermic acid
Peak:m/z	Relative Intensity
50.89278	1.1
53.03946	2.0
55.05511	15.1
56.72668	1.1
57.07080	5.4
67.05502	15.9
69.03428	1.6
69.07070	49.8
69.79022	1.0
71.05002	1.7
71.08658	1.4
79.05504	11.0
81.07056	40.6
81.07519	2.2
83.05003	1.6
83.08624	12.5
84.30922	1.2
85.06550	1.6
91.05482	9.4
93.07050	31.9
93.07626	2.0
95.04974	2.6
95.08611	65.7
96.08965	2.3
97.06548	4.5
97.10161	5.6
98.22611	3.5
99.04482	2.4
100.03533	1.0
105.07036	27.0
106.06259	1.3
107.08596	55.7
108.08971	1.3
109.06556	2.4
109.10158	43.0
111.08113	2.6
111.11720	13.9
117.06972	1.4
119.08591	36.9
121.06570	1.5
121.10144	69.5
122.10488	1.8
123.08092	6.0
123.11711	23.4
125.09612	1.3
127.07576	1.3
131.08603	5.1
133.10133	29.1
135.08089	4.4
135.11694	33.4
135.12671	1.8
137.09639	2.9
137.13264	20.3
139.07632	1.7
139.11232	3.1
143.08578	1.6
145.10100	10.1
147.08099	2.0
147.11697	21.8
149.09625	5.6
149.13277	15.9
151.11290	3.1
151.14873	2.7
153.09146	4.7
155.10718	1.3
157.10152	2.5
159.11699	10.4
161.09682	2.7
161.13252	17.2
161.14360	1.3
163.11240	5.1
163.14824	30.8
164.15294	1.3
165.09189	2.0
165.12755	2.1
165.16377	1.2
167.10706	5.8
169.10165	1.3
169.12312	1.6
171.11751	4.6
173.13277	9.5
175.11275	3.0
175.14833	16.6
175.16183	1.4
177.12863	2.9
177.16402	35.1
178.16727	2.4
179.14381	3.0
181.12244	21.9
181.13820	1.4
185.13283	2.6
187.14877	6.8
189.12787	2.3
189.16388	22.5
190.16722	1.9
191.14357	3.3
191.17973	14.3
193.12202	2.0
193.15948	2.6
195.13850	3.5
199.14890	2.1
201.16370	17.3
203.14777	1.0
203.17946	22.7
203.19646	1.6
205.16032	3.6
205.19630	4.1
207.13840	3.2
207.17464	1.9
209.15331	2.5
213.16467	1.6
215.18051	4.5
217.15997	2.6
217.19536	11.5
219.17422	1.3
221.15463	3.5
221.19031	2.4
223.17009	6.7
227.17960	1.8
229.19560	3.6
231.17494	4.1
231.21057	13.0
233.15463	2.1
233.19061	1.9
235.17018	4.3
241.19630	1.7
243.21220	3.8
245.22711	1.3
247.16954	1.7
247.20648	2.1
249.18556	3.0
253.19580	2.1
255.21254	1.3
257.22739	6.7
263.20239	1.6
265.21747	4.1
271.21118	1.3
271.24347	5.0
275.20361	1.9
281.22729	2.3
285.22348	1.2
289.21692	1.3
293.21237	1.1
299.23773	2.3
311.22247	1.3
317.24875	4.7
327.23102	2.1
345.24298	3.5
359.25723	1.2
363.25308	2.6
395.29309	1.7
409.34857	3.1
413.30054	2.0
413.34686	2.1
419.33478	1.8
427.35742	27.7
428.36362	1.4
437.34363	9.6
455.35345	28.0
456.35651	2.4
473.36371	100.0
474.36591	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	473.3629
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
52.14450	2.3
53.03955	3.6
55.05512	20.2
56.44236	2.8
56.66367	2.5
57.07078	10.5
65.03964	2.6
67.05513	27.9
69.07070	31.1
69.28591	6.9
69.29002	10.1
71.04989	2.7
71.08633	2.3
71.12902	2.4
78.87688	2.9
79.05497	16.6
81.07062	55.6
83.04992	4.1
83.08638	16.5
85.06565	3.9
91.05488	22.0
93.07053	57.6
95.04982	4.2
95.08610	87.5
97.06541	4.9
97.10162	5.9
105.07033	44.0
106.20932	2.3
107.08601	84.6
109.06532	6.5
109.10162	63.5
111.08097	3.7
111.11716	5.4
112.90959	2.4
117.07029	3.1
119.08582	65.3
121.06519	4.2
121.10152	100.0
122.10474	3.4
123.08096	9.7
123.11711	80.0
125.06043	2.9
125.09644	6.0
127.07617	3.4
127.11190	6.1
130.57813	2.9
131.08566	9.4
133.10141	58.3
133.89682	3.5
134.98236	5.1
135.08089	8.9
135.11697	70.0
135.12683	4.7
137.09648	6.2
137.12416	2.5
137.13289	16.5
139.07578	3.6
139.11224	10.8
143.08531	3.6
145.10162	20.6
147.08092	4.0
147.11694	50.4
149.09639	5.7
149.13266	32.5
151.07568	3.0
151.11263	3.7
151.14851	16.4
153.09117	5.0
157.10156	6.6
159.11710	16.1
161.09709	3.0
161.13269	37.6
163.11240	3.5
163.14845	20.3
165.09282	3.1
165.12813	4.3
167.10674	3.7
171.11629	4.6
173.13315	13.2
175.11253	3.0
175.14825	26.2
177.16393	21.9
181.12245	8.3
183.11575	2.5
183.13837	5.0
185.13361	4.9
187.14801	13.9
189.16393	40.4
190.16837	5.1
191.17986	40.3
192.18275	2.9
193.15820	3.5
199.14917	4.2
201.12852	2.7
201.16414	19.8
203.17958	56.6
207.13913	3.1
207.17406	5.0
215.14340	3.3
215.17888	7.5
217.16006	5.8
217.19513	44.8
219.17484	13.8
227.17966	4.0
229.19478	4.2
231.21101	2.8
235.17012	10.3
237.18550	7.4
245.22714	6.4
247.16974	6.3
249.18573	3.6
255.21140	4.5
265.18024	9.9
327.63928	3.0
409.34390	3.0
413.34186	6.1
419.32590	3.3
419.44144	3.2
427.35773	24.1
437.34290	22.3
455.35303	38.0
473.25372	5.0
473.36597	68.3
474.36392	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	473.3627
Annotation	Hispidone
Peak:m/z	Relative Intensity
53.03945	2.5
55.05508	8.3
56.47381	2.0
57.03441	3.4
57.07075	35.9
67.05515	20.2
69.03423	3.1
69.07070	25.2
69.16270	7.4
69.16703	6.5
69.74492	1.8
70.04764	2.0
71.04994	2.0
79.05483	9.7
81.07057	25.7
83.08598	11.4
85.06569	2.9
91.05479	12.6
93.07037	20.0
95.04992	4.7
95.08609	51.1
97.06511	4.8
97.10171	5.1
98.23454	2.4
104.17665	1.7
105.07032	22.4
107.08589	35.9
109.06523	5.6
109.10154	63.4
110.10497	2.4
111.08080	7.5
111.11745	9.2
113.05981	1.8
117.07013	4.5
119.08586	30.7
119.48879	1.9
121.06557	2.8
121.10139	37.5
123.08083	18.9
123.11697	19.4
125.06023	1.9
125.09587	3.6
127.11196	28.6
131.08569	9.1
133.10126	22.6
135.08119	4.6
135.11725	16.6
136.12076	2.0
137.09641	5.8
137.13295	13.2
139.07578	2.6
139.11165	1.9
143.08582	4.3
145.10129	14.4
147.08031	2.7
147.11679	16.6
149.09625	3.6
149.13255	9.6
151.11191	2.4
151.14793	2.5
153.09111	2.0
156.09348	2.5
157.10153	8.2
159.11668	11.7
161.09639	3.6
161.13271	13.6
163.11205	5.9
163.14876	4.6
165.09111	4.2
165.12796	4.6
171.11714	5.5
173.09642	2.3
173.13289	7.7
174.03145	15.9
175.11198	4.2
175.14803	13.7
177.12805	3.7
177.16380	2.9
180.50958	1.7
181.12209	2.3
185.13269	4.2
187.14777	8.8
189.12741	3.3
189.16425	10.3
191.17953	5.0
193.12265	2.5
193.15929	3.8
195.13786	2.1
199.14862	3.9
201.16339	3.8
203.14529	1.9
203.18002	5.3
217.19540	2.6
221.15428	2.9
233.18977	2.6
235.16969	2.1
235.20581	8.5
243.17282	2.1
250.06290	100.0
255.21095	2.7
257.22638	3.4
273.21994	2.0
274.12158	2.0
275.23758	5.0
299.23776	2.4
303.19742	3.3
303.23090	4.5
306.12527	54.6
306.16043	3.2
362.14227	4.6
362.18765	83.1
369.28018	2.7
418.25024	42.8
427.35577	2.4
429.33829	4.1
437.34204	8.1
439.35727	3.5
455.35165	21.0
473.26959	3.7
473.35373	28.3
474.30664	9.2
487.97391	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	473.3631
Annotation	3-epimaslinic acid
Peak:m/z	Relative Intensity
52.71692	11.2
55.05512	18.6
57.47211	11.4
67.05480	23.9
67.94450	10.2
69.07076	41.2
79.05501	13.2
81.07050	42.9
83.08618	22.1
89.72286	10.6
91.05471	22.9
93.07056	46.1
94.08400	10.5
95.08607	65.5
97.10194	16.8
105.07059	25.3
107.08607	58.6
109.10203	33.9
119.08604	22.7
121.06522	61.2
121.10138	94.2
123.11702	19.2
123.55138	11.3
133.10179	14.2
135.08131	15.1
135.11725	43.7
147.11676	23.7
149.13286	12.0
159.11815	15.2
161.13348	16.0
163.14967	12.1
173.13403	11.1
187.14862	13.8
191.17955	100.0
205.19576	33.1
239.62184	10.6
273.18607	22.3
298.72610	11.3
318.99384	11.3
437.33765	13.1
455.35004	23.9
473.35004	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	474.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05512	1.4
55.87615	0.7
56.05031	1.9
56.87482	0.6
64.12217	0.6
69.07058	0.9
69.35455	4.1
70.06590	8.3
71.04975	0.9
72.08159	9.4
74.02424	1.3
76.04018	0.7
80.04982	0.9
83.06117	3.9
84.04034	1.3
84.04506	14.9
84.08144	5.3
85.02927	1.5
86.00661	1.1
86.09713	12.7
94.06628	0.7
95.05003	0.7
96.04491	1.2
98.00572	0.9
99.05550	0.8
101.00655	0.7
102.05524	1.2
107.06036	1.7
109.02881	1.1
109.07616	1.8
110.07169	2.3
110.99075	1.0
115.02157	5.9
120.08054	0.7
122.00594	1.8
123.04416	0.9
124.02220	1.1
124.99299	2.1
126.00106	4.0
127.03921	3.2
129.06602	4.0
129.10262	4.4
130.04987	2.6
135.05531	0.8
136.02158	1.5
136.03902	2.2
136.08658	0.7
137.05949	0.7
139.00867	4.1
140.01601	1.3
140.04662	1.1
141.05553	0.8
141.10286	0.8
143.01608	4.6
143.11780	0.8
144.06534	1.1
145.06064	1.5
149.04715	1.9
150.00113	0.9
150.05405	0.8
151.00781	0.8
152.01648	2.6
153.06613	3.9
154.03171	2.2
155.08176	0.7
157.09697	1.2
157.13383	0.7
161.09229	2.1
163.02660	1.3
163.06294	1.0
164.01682	2.5
164.03400	2.4
165.02515	0.8
166.04999	2.5
167.00386	4.6
167.01633	1.2
168.01122	2.1
169.04958	1.9
171.01102	2.4
172.01833	0.8
178.05000	3.3
178.97885	0.7
179.05769	2.9
179.98819	1.4
180.01160	6.7
181.01895	5.2
181.03560	1.6
181.06224	1.5
182.00391	0.7
182.02715	17.3
183.98355	0.8
185.02649	1.6
186.12440	1.5
187.10744	1.2
194.02722	1.5
194.04312	1.0
194.99825	5.8
195.03502	0.9
196.00623	4.8
196.04266	11.1
196.06067	5.3
197.01413	27.7
197.99806	1.3
199.00624	6.1
199.07137	1.8
201.02159	1.0
208.06088	1.1
209.10381	1.4
210.02200	100.0
211.02890	9.8
212.03772	44.5
212.05913	1.0
213.02179	4.8
213.03976	1.0
224.03751	10.5
225.02170	0.9
226.05396	3.7
227.09264	0.7
228.13448	0.9
238.01683	5.5
242.04808	13.0
253.01527	0.8
257.07840	0.9
261.14484	1.7
267.04306	1.8
271.02814	0.7
281.05795	1.2
284.04599	1.6
295.03873	1.1
299.06995	1.4
308.05795	1.3
313.04895	49.4
314.05240	2.1
327.06467	41.3
327.20010	0.9
328.04926	2.0
345.07236	0.9
353.08051	0.6
367.06400	0.7
385.35834	0.7
399.03787	0.8
399.08643	12.6
399.13821	1.0
473.23898	1.0
475.17349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03509	0.5
55.05521	0.5
56.18863	0.4
60.40545	0.4
65.93507	0.4
69.18976	0.4
69.50732	1.9
70.06588	1.6
72.08168	3.4
78.50622	0.4
83.06088	0.5
84.08154	3.3
84.93962	0.4
86.09715	3.5
90.01640	0.5
104.04964	0.9
105.03403	0.7
111.05563	3.4
120.04487	3.0
123.05547	0.5
126.06663	2.5
129.10246	1.9
130.08656	1.0
132.04463	24.5
134.05995	4.2
137.04688	2.1
140.08154	0.5
147.11299	1.0
151.06151	11.0
158.06073	0.7
177.04126	0.7
187.10765	1.3
194.06781	4.9
195.07520	0.7
201.12578	0.4
202.09731	1.8
215.10229	0.8
216.11417	0.6
227.09254	0.6
229.11909	0.5
230.09201	1.2
232.10957	0.6
242.09285	4.5
252.08731	0.5
257.10324	4.1
259.11902	10.9
260.12219	0.7
260.19797	0.6
284.11389	4.6
302.12476	16.8
302.73682	0.4
303.12872	0.8
321.12238	0.4
327.11975	4.0
345.13055	100.0
346.13385	6.2
456.16180	0.7
474.17419	7.6
474.29297	3.5
475.17453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.0
62.84537	0.5
63.94386	0.5
69.03449	1.2
69.07073	1.2
70.06596	1.2
70.64229	1.3
72.08161	1.6
73.17953	0.5
80.33336	0.5
84.08147	2.5
85.02916	1.9
86.09713	100.0
87.10049	1.5
97.02912	0.8
98.97607	1.6
99.93740	0.6
115.07085	0.5
120.97817	0.5
127.03918	2.1
129.10257	1.2
132.10216	77.6
133.10570	1.5
145.04950	1.2
216.98766	0.5
218.98372	0.6
224.08171	0.7
230.07298	0.7
277.60968	0.8
283.06705	0.5
284.52243	0.6
300.07724	1.1
345.13055	1.1
379.04266	0.8
384.67087	0.7
400.09409	1.3
474.17209	1.2
474.25769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.5
55.01884	6.4
55.05507	11.9
57.03440	4.9
61.02928	3.1
65.03941	4.1
67.05492	12.7
67.56382	1.9
68.99815	3.1
69.03436	19.6
69.07066	12.5
69.76144	2.1
70.06599	7.8
71.04996	5.6
71.31082	2.7
71.31447	3.1
72.08168	11.6
75.19344	2.0
76.62778	2.3
79.05492	13.1
81.03425	12.0
81.07060	22.0
83.01334	2.8
83.04989	8.9
84.08119	2.4
84.08943	2.5
85.02905	27.8
85.06560	6.3
86.09708	28.4
87.00854	10.2
87.10038	4.6
91.05481	30.2
91.88562	2.2
93.07053	26.2
95.04977	43.2
95.08614	10.8
97.02921	10.5
97.06538	8.9
99.04480	6.0
103.05458	4.2
105.01895	8.8
105.07032	62.2
106.07429	3.6
107.04982	2.7
107.08601	27.7
109.02868	11.7
109.06543	9.6
109.10201	4.4
111.00813	2.9
111.08094	3.7
115.03904	2.7
115.05459	3.0
117.07016	10.7
119.04956	6.4
119.08580	71.9
120.08952	4.3
121.06523	7.4
121.10127	24.1
122.10515	3.9
123.08089	4.3
125.05954	3.2
127.03920	17.7
127.07618	3.3
128.04298	3.3
129.01910	4.2
129.07021	8.4
129.10310	2.6
131.08563	33.7
133.10136	21.1
135.08102	7.7
135.11734	4.8
137.06038	5.2
137.09695	2.9
139.11250	8.3
143.08568	17.1
144.09375	8.4
145.05014	6.9
145.10129	32.2
145.11105	2.8
147.04404	34.4
147.08099	3.0
147.11688	84.1
148.12015	3.7
149.09705	9.6
149.13342	7.2
151.07596	7.2
151.11227	3.1
153.09190	2.7
156.09415	3.2
158.10912	11.5
159.02940	4.6
159.08011	2.6
159.11723	8.0
161.13391	3.0
162.13655	4.1
163.07739	2.3
163.11218	12.8
163.14844	4.0
164.11530	2.7
165.12752	4.5
166.08745	2.4
171.02931	2.2
171.11700	3.6
173.09731	4.2
173.13257	92.2
174.13623	5.4
175.15004	3.9
180.14729	2.8
181.12184	5.2
187.11012	13.3
189.12794	3.3
191.10661	14.4
191.14299	63.5
192.14754	3.4
197.09468	2.4
205.12265	6.1
207.13922	6.0
207.43617	2.5
208.14218	9.5
209.11790	9.9
209.15370	16.6
215.10738	6.3
225.14807	2.4
226.15213	5.7
227.16382	13.4
231.05078	6.4
233.11902	7.2
251.12790	6.0
262.14731	2.8
269.13925	3.0
335.09662	6.0
343.13693	6.6
351.93167	2.2
388.42590	2.6
439.16183	3.3
474.24084	96.6
475.18002	100.0
475.24915	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	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01863	2.8
55.05510	3.1
55.23944	2.0
57.03439	2.9
59.04967	2.0
61.02929	3.3
67.05509	2.3
69.03429	55.9
69.07049	4.1
71.05013	2.4
73.02922	2.3
78.74152	2.0
79.05488	2.3
81.03423	7.9
81.07041	5.1
83.04977	4.2
85.02909	31.1
87.00854	10.2
91.05506	3.2
93.07085	2.4
95.08632	10.0
97.02882	9.9
97.06547	3.8
99.04488	4.3
105.01887	7.6
105.07050	5.8
107.08604	16.0
109.02873	5.8
109.06530	3.7
109.10150	2.0
111.08059	2.8
119.08604	7.1
121.06488	3.2
121.10126	10.0
123.08070	2.3
123.11696	5.9
125.09637	19.5
125.14502	2.0
127.03879	14.7
131.08582	4.7
133.10152	6.7
135.08037	9.7
135.11690	4.8
145.04980	9.4
145.10095	3.4
147.11736	3.4
149.09601	6.6
149.13266	5.6
153.09142	6.6
158.10950	2.6
159.02858	4.9
161.06021	2.5
163.14839	2.4
165.09131	3.9
165.12807	2.6
173.13266	23.6
177.05603	2.2
191.14304	81.7
192.14607	2.5
209.08051	4.5
209.15367	100.0
210.15753	6.4
231.05043	3.6
251.09154	2.7
329.11917	2.2
474.33151	2.9
475.32410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.8
57.07096	2.6
67.05510	8.3
69.03435	18.0
69.07087	4.9
71.04974	2.9
79.05505	5.3
79.99306	2.2
81.03433	4.4
81.07068	11.4
83.05002	3.8
83.08636	2.3
85.02900	11.0
85.06545	3.7
87.00861	4.3
91.05505	6.4
93.07038	11.2
95.04974	4.5
95.08605	14.9
97.02910	4.6
97.06541	7.3
105.01860	2.5
105.07047	10.2
107.04951	2.8
107.08585	16.6
109.02888	3.7
109.06513	11.5
109.10166	9.8
111.08067	4.5
117.07065	4.5
119.08589	8.4
119.27546	2.4
121.06516	7.6
121.10152	12.5
123.08109	5.6
123.11761	4.2
127.03903	7.0
129.07050	2.2
131.08557	12.9
133.10143	5.9
135.08069	13.2
135.11707	5.4
138.59935	2.2
143.08624	2.6
145.04938	3.9
145.10123	9.6
147.11720	6.3
149.09648	6.1
149.13249	6.4
158.10927	6.9
161.09717	2.5
163.11194	3.3
163.14873	7.7
165.09128	8.5
173.13283	30.9
191.14320	100.0
192.14619	5.8
205.12329	3.3
209.15375	51.8
229.19128	2.3
338.72321	2.6
383.46637	2.4
413.84473	2.9
439.45740	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	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01860	0.9
55.05507	2.1
57.03441	0.8
57.07073	0.5
61.02933	0.9
65.03929	0.9
67.05509	2.7
69.03434	4.7
69.07064	1.7
70.06585	1.2
71.05002	1.0
72.08152	0.6
73.02917	0.7
79.05505	3.9
80.59969	0.5
81.03420	2.4
81.07067	4.2
83.08639	0.7
85.02912	7.6
86.09717	1.2
87.00829	4.3
91.05487	12.9
93.07064	5.4
95.04971	1.2
95.08599	1.5
97.02884	3.3
97.06506	0.6
99.04439	1.3
103.05481	1.6
105.01878	5.0
105.07040	19.0
107.04955	0.5
107.08608	4.5
109.02910	2.8
109.10120	0.7
111.77230	0.5
115.03922	0.6
115.05445	2.2
116.06246	2.1
117.07037	6.0
119.04926	0.5
119.08589	25.7
120.08903	0.6
121.06467	0.6
121.10153	5.5
123.08053	0.7
125.05952	0.6
127.03926	5.3
127.05396	0.6
128.06219	2.0
129.07008	7.6
130.07819	2.8
131.08578	33.2
132.08894	0.9
133.10136	6.5
135.08064	1.6
135.11667	0.5
137.05986	1.5
141.07002	0.7
142.07767	1.0
143.08562	21.8
144.09380	5.7
145.04962	3.1
145.10133	17.0
146.10503	0.8
147.11696	20.7
148.12044	0.6
149.09641	1.0
149.13274	1.6
151.07574	1.1
156.09355	1.1
157.10120	1.4
158.10931	20.0
159.02898	1.0
159.11359	1.1
165.09122	1.1
165.12724	1.0
167.07002	0.5
171.11691	1.3
173.13271	100.0
174.13643	4.1
175.14790	2.6
189.12704	0.6
191.14326	15.9
192.14636	0.9
193.12282	0.5
209.04434	0.5
209.15437	0.7
231.04997	2.0
245.94312	0.6
299.16400	0.7
322.50510	0.6
461.44925	0.5
475.21552	2.5
475.32327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.8
57.06828	3.1
57.07074	18.2
57.25845	2.8
58.90203	3.4
61.55684	2.6
67.05505	5.9
67.32933	3.3
69.07075	4.7
69.97406	6.7
69.97794	7.0
71.05028	3.3
79.05476	6.4
81.07061	12.0
83.04966	3.5
83.08621	2.8
85.02931	2.6
91.05497	5.9
93.07053	5.3
94.29516	3.1
95.08618	11.5
105.07036	12.2
107.08622	6.7
109.02864	4.1
109.10191	8.7
119.08595	10.9
120.50974	2.7
121.10133	7.3
123.11727	4.2
131.08591	5.4
133.10095	4.3
134.28351	3.0
135.11638	3.7
145.10100	4.8
147.11662	5.4
149.02348	100.0
150.02657	4.1
165.09119	20.5
166.09438	4.2
175.07535	5.8
177.09102	4.4
179.14182	2.8
183.11798	3.1
190.33644	3.7
191.08569	44.9
203.06879	5.7
205.08557	7.3
205.12221	5.0
271.05875	4.7
277.14410	24.4
300.89169	3.2
447.25143	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	474.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82048	1.1
55.05506	2.1
57.03442	8.1
57.07071	7.7
58.06603	40.8
59.07387	13.3
60.08163	10.3
66.17983	1.0
67.05502	3.3
69.07064	1.7
71.08633	5.2
71.31735	1.7
75.04487	2.6
79.05468	2.0
79.05908	1.1
81.07055	3.4
83.08643	3.8
85.02940	1.6
85.10185	3.6
87.04488	3.4
91.05501	1.7
95.08624	4.8
97.10201	1.6
105.05520	1.3
107.08566	1.8
109.10161	2.1
110.43369	1.2
117.18929	1.5
118.39840	1.2
119.08591	1.4
131.07060	1.4
131.08530	1.2
133.10115	1.8
134.98141	2.7
136.98680	1.2
144.10168	8.8
154.61801	1.1
154.94073	1.2
162.11259	1.6
172.95239	2.8
190.96356	2.6
210.43207	1.1
220.56639	1.1
228.97972	1.9
236.14922	84.9
237.15309	2.7
272.42990	1.3
313.27411	2.3
338.27460	1.4
354.25949	1.1
456.36823	27.2
457.37006	3.3
474.20221	5.9
474.37894	100.0
475.38229	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	474.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	70.3
67.05502	24.1
69.07076	20.0
71.32761	17.5
72.04240	10.6
79.05511	10.1
81.07064	20.9
91.05475	15.1
93.07076	12.3
95.08604	49.0
105.07028	20.1
107.08598	31.2
107.26654	10.2
109.10155	41.5
110.41148	11.4
119.08600	24.3
121.10117	23.0
123.11763	13.2
133.10124	21.0
135.08009	13.6
135.11705	11.2
145.10033	12.0
158.20927	10.1
177.16347	13.4
201.16522	11.7
203.17967	14.8
217.19382	20.8
250.06296	82.7
251.04694	100.0
306.12625	29.3
307.10867	22.3
362.18713	91.8
363.17050	83.8
418.25018	50.3
419.23801	22.3
439.35474	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	474.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40183	17.1
57.07078	63.1
60.90895	13.9
67.05490	20.5
69.07085	42.5
71.32700	16.9
75.04340	14.1
77.24076	14.3
81.07064	77.9
91.05478	25.8
92.81873	15.1
93.07047	50.4
95.08617	100.0
98.43649	15.9
98.87296	15.8
101.06107	17.6
105.07040	35.0
107.08595	63.1
109.10181	67.7
119.08601	26.1
121.10166	56.0
122.37822	18.2
123.11703	29.2
133.10129	56.7
135.11705	21.0
137.13268	18.4
143.08664	18.1
145.10092	16.6
147.11725	16.3
149.13277	35.0
151.14851	16.6
159.11720	30.5
161.13261	17.1
173.13330	16.1
233.19093	27.1
250.06293	97.7
251.04756	56.9
269.22772	19.0
306.12524	57.5
307.10809	28.6
362.18756	89.6
363.17221	54.5
418.25113	46.0
439.35770	85.8
457.36441	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1238
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
55.05495	0.3
58.00391	0.1
67.01862	0.7
67.05500	0.2
68.99803	0.4
69.03429	0.3
69.07084	0.3
70.63900	0.3
75.80791	0.1
79.05489	0.4
81.03439	0.3
81.07041	0.6
83.08614	0.2
84.08160	0.2
85.02898	0.5
87.00822	0.2
91.05473	1.1
93.07027	0.3
95.08607	0.6
97.02900	0.2
99.04446	0.2
103.05440	0.1
105.07048	0.7
107.08579	0.5
108.85291	0.1
109.02865	0.3
109.10130	0.3
119.04945	1.9
119.08565	1.3
121.02846	0.7
121.10122	0.3
127.03901	0.3
131.04919	0.2
133.10147	0.7
135.11688	0.3
137.05968	0.7
141.06879	0.1
145.02856	0.6
145.10149	0.2
147.11650	0.2
151.07532	0.6
153.01825	4.5
163.03934	0.2
163.11163	0.2
165.09117	1.0
167.07069	0.3
171.02892	0.7
171.04236	0.1
175.14816	1.4
184.86836	0.2
199.14908	0.1
203.07098	0.2
205.12166	0.2
225.05432	0.3
229.04913	0.4
241.21710	0.1
243.06445	0.3
271.06000	100.0
272.06345	5.9
464.57196	0.2
475.12045	1.1
475.32401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01874	8.8
55.05511	5.3
57.03444	3.1
57.67764	1.6
65.03952	1.7
67.05511	9.1
69.03411	3.8
69.07076	17.4
69.61951	1.6
70.65563	3.7
71.01361	2.3
71.04993	9.4
73.02924	2.7
79.05492	11.9
81.07065	22.5
83.01350	3.4
83.04983	8.7
85.02923	2.5
85.06543	5.6
86.09705	7.4
91.05481	14.6
93.07047	26.7
95.04971	100.0
95.08619	8.1
97.06538	9.8
99.04453	4.6
101.02366	2.2
103.61740	1.4
105.07034	26.5
107.04945	5.2
107.08603	14.3
109.06509	15.0
110.09621	2.8
111.00797	4.9
111.04450	2.0
111.08108	2.7
115.03909	1.9
117.07039	5.8
119.04928	1.8
119.08585	8.1
120.08122	2.3
121.06519	7.7
121.10150	20.5
123.04413	1.8
123.08060	2.7
125.06010	7.5
126.01244	1.5
127.07525	4.5
129.01857	6.9
130.07784	3.1
131.08583	12.8
133.06436	3.7
133.10126	4.3
135.08047	2.3
135.11699	9.8
137.05971	6.3
138.09125	3.6
139.07491	3.5
139.11160	7.5
143.03404	2.9
143.07080	3.7
143.08539	2.1
145.10130	35.3
146.06046	1.7
147.11626	1.8
149.06010	2.1
149.09625	5.0
151.07494	10.6
153.05397	2.0
155.06984	6.0
158.07262	2.2
159.08070	1.9
159.11668	15.2
160.12653	1.6
161.04521	2.2
161.09633	3.0
163.11177	21.3
165.09061	2.3
166.08647	6.6
166.17847	1.4
169.10153	3.7
171.02892	7.9
173.09613	11.3
177.05489	1.9
177.12708	1.7
181.12280	8.9
187.11188	21.8
189.03963	4.0
191.09073	2.2
191.10675	25.1
197.69710	1.5
205.12265	17.0
209.11734	19.1
215.10744	14.7
223.13292	2.0
231.05032	13.5
233.11740	19.8
251.12865	13.4
269.13821	3.4
369.15140	3.8
393.14853	2.0
400.77246	1.4
421.14871	2.6
439.15814	6.5
457.17276	2.3
475.18106	2.7
475.24890	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01870	8.5
55.05506	4.5
57.03438	3.7
59.04989	1.3
61.02898	2.3
65.03941	1.7
67.05509	8.7
68.99763	1.8
69.03428	18.5
69.07069	8.2
69.09124	12.5
71.04994	13.6
73.02911	4.1
79.05496	8.1
81.03410	14.1
81.07058	13.5
83.04957	6.4
83.08609	1.7
85.02904	29.8
85.06570	6.5
86.09702	4.8
87.00825	11.2
87.04453	1.4
91.05475	10.6
93.07031	15.6
95.04971	18.8
95.08596	15.2
97.02901	12.6
97.06548	7.1
99.04453	32.6
99.08081	7.1
103.05479	2.0
105.01850	7.3
105.07040	12.3
107.04970	3.1
107.08586	22.6
109.02885	11.4
109.06522	9.3
109.10194	7.5
111.04417	2.4
111.08080	4.2
113.05977	1.8
113.09657	1.5
115.07555	2.2
117.07020	3.4
119.08575	7.3
121.06501	8.5
121.10159	18.6
123.08086	10.0
123.11697	3.9
125.05997	2.3
125.09628	4.3
127.03920	21.0
127.07581	1.9
129.01857	2.1
131.04930	2.5
131.08582	7.7
133.10138	11.6
135.08063	5.7
135.11687	5.2
136.07564	7.9
137.05966	5.7
137.09601	2.4
139.11159	5.8
143.37968	1.2
145.04967	8.5
145.10144	7.9
147.02895	1.7
147.11679	8.3
148.11940	1.3
149.09625	27.2
149.13246	12.8
151.07535	7.9
151.11185	14.4
152.07018	2.7
153.09111	5.8
159.02905	6.5
159.08112	1.7
161.09607	1.4
161.13210	1.6
163.07512	3.0
163.11194	5.9
163.14799	7.7
164.06973	6.5
165.09138	1.8
167.10855	1.3
169.12242	4.9
171.02895	1.8
173.09717	3.1
173.13232	12.4
182.08308	1.4
183.13782	7.9
187.11212	3.7
189.03937	2.7
191.10675	7.8
191.14308	23.3
195.34355	1.3
205.12195	2.5
209.11794	3.1
209.15367	41.2
215.10696	2.4
227.16417	30.4
228.16782	2.1
231.05008	4.1
233.11714	3.2
251.12787	2.8
271.06061	2.6
439.15567	1.7
475.15662	3.0
475.17844	2.4
475.22311	13.0
475.32510	100.0
476.32590	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58722	2.8
51.61154	2.6
53.03944	7.9
55.01875	11.5
55.05507	5.9
57.03440	8.7
59.04985	3.2
61.02933	5.1
62.65926	2.0
67.05499	14.8
68.99784	5.2
69.03430	30.0
69.07080	14.8
71.04992	23.5
72.08130	2.6
73.02915	7.9
79.05491	14.5
81.03416	23.5
81.07061	29.6
83.04989	12.4
83.08624	5.1
85.02908	54.6
85.06586	12.9
86.09717	4.5
87.00816	25.3
91.05475	15.2
93.07047	33.1
94.05196	2.6
95.04976	30.6
95.08607	31.0
97.02891	21.2
97.06536	9.7
99.04459	48.5
99.08092	11.5
105.01899	14.8
105.07021	22.2
107.04963	8.4
107.08593	40.1
109.02876	28.3
109.06528	15.2
109.10155	19.0
111.08087	8.8
113.09644	3.7
115.05432	2.9
117.07043	5.4
119.08573	16.6
121.06480	17.9
121.10140	39.4
123.08070	19.9
123.11710	9.8
125.06015	6.4
125.09631	8.9
127.03916	34.4
127.07563	4.6
129.01848	4.6
131.08557	14.4
133.10129	19.2
135.08076	14.4
135.11716	9.7
136.07608	10.7
137.05998	8.5
137.09660	6.0
139.07573	5.3
139.11185	6.5
139.55904	2.3
143.03363	2.6
143.08562	4.4
144.09233	2.9
145.04926	18.1
145.10110	15.6
147.11717	10.6
149.09624	67.7
149.13248	16.7
151.07570	8.6
151.11194	22.8
153.05434	3.1
153.09131	5.1
159.02908	6.5
159.11646	3.7
163.11217	9.2
163.14835	19.5
164.07104	10.8
165.09198	4.2
167.10542	2.9
169.12288	6.0
173.09636	4.0
173.13281	18.9
181.12239	2.8
183.13797	11.6
187.11194	4.4
189.12746	2.6
191.10696	8.3
191.14317	52.2
192.14645	3.6
205.12251	4.8
209.11746	4.4
209.15370	80.2
210.15759	4.0
219.13702	3.4
227.16400	43.8
231.05092	8.1
233.11708	6.9
251.12816	5.7
271.06165	4.7
317.17194	3.5
347.65814	2.4
389.68530	2.6
475.22568	13.4
475.32562	100.0
476.32596	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.01871	6.8
55.05511	7.7
57.03445	7.0
57.07076	2.7
59.04980	2.5
61.02914	4.0
67.05497	9.1
68.99783	2.3
69.03431	20.6
69.07077	6.7
70.52788	3.0
70.53121	1.5
71.00670	1.1
71.04599	1.7
71.04993	32.3
73.02917	4.2
79.05474	7.4
81.03416	20.2
81.03860	1.8
81.07055	18.7
83.01308	1.2
83.04977	5.6
83.08621	7.4
85.02905	41.9
85.06544	12.5
87.00828	21.5
91.03929	1.4
91.05476	10.4
93.07043	17.3
95.04972	19.0
95.08602	19.5
97.02882	14.2
97.06527	15.0
99.04453	84.4
99.08093	3.7
100.04803	1.6
105.01862	11.1
105.04529	1.5
105.07033	20.1
107.08595	30.7
108.08941	2.0
109.02884	18.7
109.06515	27.9
109.10140	15.7
111.04446	1.2
111.08064	5.9
113.09659	5.3
115.07575	5.9
117.01847	1.5
117.07012	3.2
119.08598	17.4
121.06497	6.3
121.10146	22.6
123.08059	16.7
123.11704	12.8
125.06004	3.2
125.09622	6.5
127.03915	29.2
127.07570	2.0
129.01866	1.8
131.08572	10.9
133.10123	55.4
134.10468	1.8
135.08057	8.1
135.11673	3.8
136.07555	2.2
137.06001	1.5
137.09654	3.2
139.07549	3.1
139.11218	6.4
143.07121	1.5
143.08510	2.2
144.09244	1.5
145.04951	9.3
145.10150	8.4
147.02885	1.5
147.11676	26.6
149.09598	4.5
149.13268	21.1
150.13510	1.5
151.07555	5.7
151.11174	18.8
153.09096	10.5
157.10074	1.5
158.10883	2.8
159.02882	7.8
161.13289	4.3
163.07510	1.8
163.11197	3.5
163.14839	5.8
164.07082	2.7
165.09100	2.9
165.12718	8.8
167.10617	2.6
167.14354	1.4
169.12251	18.3
171.10184	3.2
171.11578	1.4
173.13264	24.8
174.13617	2.0
175.11223	4.5
179.14345	2.4
183.13795	21.6
189.12708	3.8
191.10709	1.5
191.14296	40.7
192.14632	6.9
193.12210	4.5
207.13820	3.0
209.15369	69.8
210.15636	1.8
211.13303	3.4
217.12202	6.0
225.14745	2.8
227.16414	100.0
228.16791	4.9
231.05014	4.1
235.13353	6.3
251.16368	1.4
253.14354	3.1
333.67950	1.2
373.53659	1.3
406.18881	1.3
456.16147	1.4
475.21332	3.3
475.32648	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01868	0.4
55.05511	0.6
57.03428	0.6
59.04996	0.1
61.02921	0.3
65.03939	0.2
66.55355	0.1
67.05504	0.7
68.99800	0.2
69.03432	1.8
69.07068	0.8
71.01385	0.1
71.04993	1.1
71.30992	0.1
73.02914	0.4
79.05481	0.7
81.03413	1.4
81.07053	1.6
83.04983	0.6
83.08621	0.4
84.44049	0.1
85.02905	3.0
85.06541	0.6
86.09719	0.3
87.00832	1.5
91.05473	1.0
93.07045	1.5
94.06531	0.1
95.04964	2.4
95.08614	1.1
95.83443	0.1
97.02905	1.0
97.06539	1.3
99.04456	0.8
99.08102	0.4
102.52640	0.1
103.05420	0.2
105.01865	1.1
105.07030	2.0
107.08604	1.6
109.02885	1.2
109.06520	2.4
109.10154	1.1
110.06843	0.2
111.04456	0.2
111.08093	0.5
113.09669	0.2
115.07578	0.4
117.01814	0.2
117.07012	0.2
119.08583	1.0
121.06528	0.4
121.10147	2.0
122.10457	0.2
123.04442	0.3
123.08061	0.5
123.11679	0.4
125.05986	0.3
125.09640	0.5
127.03918	2.2
127.07517	0.2
128.04256	0.2
131.08563	1.1
133.10129	5.1
134.10452	0.4
135.08022	0.8
135.11685	0.5
137.05977	0.5
139.11209	0.4
140.05864	0.1
142.83047	0.1
143.08533	0.2
145.04962	0.8
145.10168	0.7
147.11682	2.1
148.12047	0.2
149.09584	0.7
149.13269	0.6
151.07565	0.8
151.11182	0.4
153.09122	1.0
158.10947	0.3
159.02881	0.7
159.11720	0.1
161.09547	0.1
163.03836	0.1
163.07527	0.3
163.11147	0.3
163.14830	0.4
165.12753	0.8
167.10605	0.2
167.14479	0.1
169.12244	0.2
171.02907	0.1
171.10179	0.4
173.13261	2.2
174.13647	0.2
175.14679	0.2
183.13829	0.2
187.14384	0.2
189.09042	0.1
189.12695	0.1
190.91017	0.1
191.14307	3.4
191.15994	0.3
192.14690	0.5
207.13831	0.2
209.15361	7.3
210.15800	0.4
213.11218	0.1
227.16428	3.6
228.16692	0.3
231.05002	0.4
271.05954	0.6
288.91342	0.1
315.34436	0.1
457.31418	0.5
475.32526	100.0
476.32840	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01864	5.5
55.05513	24.1
56.52079	1.5
57.03428	3.2
61.02918	3.5
67.05496	6.8
69.03427	21.4
69.07061	7.9
69.24868	8.3
69.25269	3.5
70.06608	3.1
71.04987	7.4
72.08172	2.2
73.02911	5.2
79.05500	7.8
81.03426	13.0
81.07059	11.1
83.04978	22.6
83.08620	13.4
85.02905	37.4
85.06538	5.5
86.09715	7.9
87.00821	17.1
87.04461	1.7
91.05466	7.3
93.07060	11.0
95.04968	19.8
95.08620	6.8
97.02889	15.3
97.06524	6.8
97.10168	6.4
98.23378	3.5
99.04453	6.8
99.08147	2.1
104.05349	1.6
105.01882	13.6
105.07013	19.6
107.08604	22.2
109.02886	15.0
109.06536	10.6
109.10149	11.3
111.08083	6.7
117.06979	1.9
119.08592	6.8
121.10142	27.5
123.08042	5.2
123.11715	5.7
125.09625	6.6
127.03924	22.5
127.62086	1.9
129.10233	2.0
131.08578	4.5
133.06488	8.8
133.10124	14.5
135.08070	6.1
135.11693	5.8
137.09683	2.2
139.11226	2.2
145.02832	2.0
145.04955	7.6
147.04518	2.5
147.11716	4.5
149.13264	5.7
151.11188	22.3
153.09097	5.6
159.02887	2.5
159.11642	2.4
161.05991	17.0
163.11215	3.5
163.14856	7.1
165.12791	2.5
165.21207	1.8
167.14307	30.0
173.09663	1.6
173.13242	8.6
177.05545	4.5
179.14380	3.0
191.14299	21.2
192.14644	1.8
193.08572	14.5
209.15376	100.0
210.15649	3.9
227.16492	9.7
231.05061	5.1
231.11546	1.7
277.09830	1.7
431.18939	2.0
475.17514	13.6
475.24921	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01893	3.5
55.05517	19.7
57.03436	3.2
59.01284	3.2
67.05521	6.7
69.03427	23.1
69.07067	8.8
69.28097	22.6
70.06600	7.8
71.04986	9.5
72.08151	7.8
75.02991	2.8
79.05491	8.7
81.03427	15.7
81.07059	10.8
83.04980	14.9
83.08608	11.7
84.04510	5.0
84.08135	6.5
85.02903	43.2
85.06567	4.2
86.09713	33.6
87.00825	15.3
87.10049	3.2
88.27708	3.2
91.05496	5.5
93.07042	7.9
95.04975	7.3
95.08595	6.4
97.02907	11.9
97.06515	11.5
97.10182	4.4
97.99425	3.9
99.04459	6.6
105.01864	11.4
105.07047	24.7
107.08597	21.7
109.02889	16.4
109.06524	11.4
109.10164	13.4
111.08084	5.9
119.08614	6.8
121.06441	3.8
121.10146	24.5
123.08073	4.1
123.11689	6.3
125.09657	7.9
127.03937	28.0
127.07525	3.1
131.08577	5.0
133.06502	16.3
133.10155	15.2
135.08052	3.9
137.05984	5.4
145.02878	4.7
145.04945	7.2
147.04338	4.5
147.11674	7.6
149.13248	5.4
151.11192	15.7
153.09151	6.4
161.05984	35.3
162.05592	3.2
163.11180	4.0
163.14801	4.9
166.08672	4.9
166.96706	3.3
167.14319	25.8
173.13252	12.1
173.36058	3.3
177.05487	13.2
179.14310	10.8
187.11070	4.5
191.10701	4.1
191.14369	17.4
193.08629	26.8
197.12657	3.2
209.15387	100.0
210.15614	4.1
215.13953	5.8
227.16409	19.9
231.05011	6.8
233.15155	3.6
295.18878	3.9
328.49188	3.4
431.18747	7.3
475.17770	44.2
475.24942	41.7
476.25427	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	475.2518
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
51.77758	0.4
55.05497	0.5
67.05521	0.3
68.67307	0.3
69.03417	0.6
69.05211	2.7
70.06583	0.7
72.08153	1.0
81.03413	0.5
81.07040	0.8
84.04502	0.6
84.08114	0.4
85.02916	0.6
86.09699	1.3
89.61910	0.3
91.05461	0.4
93.07021	0.9
95.04967	0.4
95.08601	0.7
97.02906	0.4
97.06531	0.4
99.08128	0.3
105.07026	1.0
107.08602	1.8
109.10185	0.3
115.05431	0.4
117.47088	0.3
119.08564	0.6
121.06487	0.5
121.10138	0.9
123.08022	0.4
127.03922	0.6
129.10120	0.3
129.54770	0.3
131.08545	0.6
133.06522	0.6
133.10123	1.1
135.08005	0.4
137.05963	0.7
137.09634	0.3
139.11139	0.4
142.08665	0.4
147.11713	0.4
149.09618	0.4
149.13290	0.7
151.11153	0.4
161.05995	0.7
163.07536	0.4
163.14833	0.6
173.13254	0.7
187.10765	1.5
191.14334	2.8
193.08566	0.9
203.05266	3.5
209.15395	1.1
215.10292	0.6
227.16411	1.7
243.13411	0.9
295.18805	9.4
313.19830	2.3
363.55957	0.4
475.25098	100.0
476.18820	0.5
476.25449	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	475.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05506	0.3
66.22172	0.2
67.05517	0.7
68.27170	0.2
69.03431	1.1
69.07072	0.6
71.04979	0.5
71.31345	0.5
72.84129	0.3
79.05505	0.7
81.03422	0.6
81.07050	1.7
82.53174	0.2
85.02922	1.1
85.06555	0.3
86.09737	0.8
86.43688	0.2
87.00838	0.6
87.04501	0.5
91.05459	0.5
93.07062	1.3
94.97176	0.3
95.04966	2.8
95.08619	0.5
97.02916	0.6
97.06550	0.5
99.04485	0.8
99.30773	0.3
101.44747	0.2
105.01900	0.4
105.07032	1.4
107.08607	0.9
109.02894	0.5
109.06537	0.9
116.57940	0.3
119.08602	0.4
121.06523	0.3
121.10132	1.9
123.08094	0.4
123.11708	2.4
123.13126	0.3
127.03951	0.6
131.08611	0.6
133.10139	0.6
137.06029	0.4
139.11209	0.4
145.05031	0.4
145.10147	1.2
147.11705	0.8
149.09656	0.8
151.07597	0.4
151.11171	1.4
153.09113	0.4
160.45029	0.3
161.05959	0.3
163.07523	0.4
163.11214	0.4
165.12851	0.4
167.10684	2.5
171.02803	0.4
173.09615	0.4
173.13290	0.4
176.50864	0.3
182.23532	0.3
187.11273	0.6
191.10674	0.4
191.14398	0.8
194.29424	0.3
199.98621	0.2
205.12318	0.6
209.11827	0.7
209.15298	1.5
215.10736	0.4
227.16389	2.3
231.05032	0.5
231.45401	0.2
233.11732	0.5
251.12814	0.5
295.18164	0.3
313.19858	2.8
431.16824	1.1
457.23987	0.4
475.16278	4.4
475.25201	100.0
476.15790	0.4
476.25504	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	475.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37054	0.3
54.64098	0.2
55.01874	0.4
55.05505	0.6
63.54858	0.2
67.05501	0.5
69.03431	0.4
69.07060	0.8
70.02204	0.3
70.02554	0.7
70.26863	0.2
71.04997	0.3
72.08146	0.5
74.01126	0.2
79.05488	0.8
81.07055	1.0
83.04974	0.3
85.02898	0.5
85.06531	0.2
86.09713	0.6
91.05488	0.7
93.07044	1.4
95.04976	3.9
95.08615	0.5
97.02908	0.4
97.06532	0.7
99.04436	0.3
103.05499	0.2
103.49187	0.3
105.07041	1.6
107.04957	0.3
107.08605	1.0
109.06517	0.7
109.10172	0.3
111.00813	0.3
114.40437	0.2
119.08588	0.6
121.06515	0.4
121.10174	1.0
122.91855	0.3
125.06033	0.2
129.01877	0.3
131.08559	0.3
133.06563	0.3
133.10104	0.6
135.11609	0.3
137.05972	0.4
139.11211	0.3
141.81154	0.2
142.08618	0.2
145.10136	1.4
147.04419	0.3
147.11726	0.4
151.07541	0.5
159.11687	0.4
161.05931	1.1
163.11209	0.6
171.02888	0.6
173.09596	0.5
173.13277	0.4
181.12282	0.4
187.11099	1.3
189.12390	0.2
191.10724	0.8
191.14415	1.2
193.08638	0.5
203.05246	3.0
205.12239	0.4
209.11699	0.7
209.15364	0.7
215.10695	0.7
227.16383	0.7
228.91907	0.3
231.04997	0.5
233.11752	0.6
251.12943	0.4
295.18811	9.7
295.22186	0.5
296.19064	0.4
313.19751	2.1
322.99060	0.2
439.16037	0.5
475.25119	100.0
476.25500	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	475.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
60.71655	0.5
67.05505	5.3
69.07068	2.7
79.05476	1.5
81.07053	5.9
83.04987	0.8
83.08608	0.9
84.16371	0.6
91.05479	2.0
93.07056	1.1
95.04922	0.6
95.08608	4.9
95.84975	0.5
95.99780	0.5
101.06077	0.5
105.07050	0.6
107.04945	1.3
107.08624	1.5
109.06461	0.6
109.10158	6.9
113.09634	0.8
117.06976	0.6
119.08584	3.3
121.06546	0.6
121.10138	1.5
122.07284	2.3
123.11697	1.5
133.10100	0.6
135.08061	0.8
135.11737	0.7
137.05977	0.9
137.09619	11.8
147.11661	0.6
149.09610	3.9
149.13281	0.8
161.06033	0.7
165.09120	100.0
166.09470	3.7
167.07138	1.0
175.07561	0.9
177.09142	1.1
179.10693	0.7
189.09183	0.7
190.09900	0.9
191.14330	0.8
203.10796	0.9
205.12233	7.8
216.75093	0.6
323.25696	1.1
341.41556	0.5
429.33643	0.9
439.32111	0.6
446.12036	0.5
462.27277	0.6
475.16806	1.0
475.34106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.39410	1.9
55.05518	7.7
56.47364	2.0
57.07048	2.3
59.70558	1.5
65.03941	3.8
67.05507	16.6
69.03436	8.5
69.07073	8.9
69.58168	3.8
69.58558	4.4
75.04996	2.0
79.05491	11.9
81.07056	25.9
82.00474	1.9
83.04990	2.7
83.08638	3.2
85.06570	2.0
91.05488	15.0
93.07049	32.3
95.04977	14.1
95.08614	44.3
97.06537	5.8
97.10178	2.4
98.22646	2.0
103.24935	1.7
105.07030	30.1
107.05006	1.7
107.08602	35.2
109.06541	5.1
109.10164	32.8
111.08067	4.4
117.07004	7.3
118.19524	1.6
119.08578	32.2
121.06538	5.7
121.10142	21.4
123.08110	9.8
123.11710	7.5
129.06996	4.0
131.08569	15.6
133.06479	2.3
133.10152	23.3
135.08035	5.6
135.11700	12.4
137.09634	7.5
137.13277	6.3
142.07823	2.4
143.08578	9.5
145.10141	22.3
147.08073	7.6
147.11710	15.1
149.02380	7.9
149.09636	7.2
149.13289	5.6
150.02710	4.8
151.11232	3.0
153.12767	2.1
155.08559	4.1
157.10152	11.9
158.10674	1.9
159.11697	18.4
161.09692	6.6
161.13245	13.5
161.67303	1.7
163.11237	3.5
163.14833	4.9
169.10139	5.7
170.10722	2.1
170.70758	1.7
171.11757	8.9
173.09717	2.5
173.13220	10.8
175.11230	4.3
175.14825	9.1
177.16403	3.9
179.14326	2.6
181.91832	1.6
183.11700	4.0
185.13266	7.0
187.14824	16.6
189.12680	2.7
189.16412	6.7
191.14319	6.2
193.05009	3.1
197.13141	4.4
199.14813	5.1
201.16415	6.7
202.13524	1.9
203.14337	43.3
203.17943	3.8
205.15891	18.9
209.25056	1.9
211.14856	4.7
213.16357	4.6
215.14359	4.5
217.15881	9.1
219.17331	3.2
225.16455	3.3
227.17961	2.5
229.15900	5.8
231.17485	8.2
239.18015	2.0
243.13800	1.8
243.17400	3.7
245.18983	2.0
249.18567	2.7
253.19528	2.6
255.17436	3.3
257.19080	2.7
260.03961	1.8
265.19522	2.0
269.19006	3.6
281.22842	1.9
365.28439	2.1
391.30228	2.9
403.30017	7.7
405.10870	2.8
409.31018	100.0
410.31494	9.4
421.30920	24.3
422.31439	2.8
430.11273	1.7
431.12375	2.9
439.32123	61.7
440.32413	5.2
450.33893	2.5
457.33087	9.3
475.15070	8.8
475.26224	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.05518	22.0
57.07079	7.4
66.57018	2.4
67.05502	30.8
69.07074	29.7
69.16131	19.9
72.94852	2.9
79.05499	29.2
81.07058	90.3
83.04976	6.2
83.08614	13.9
85.06549	8.6
86.07298	2.9
91.05468	28.4
93.07051	72.7
95.04987	4.6
95.08614	95.9
95.09228	5.6
96.08954	2.8
97.06525	4.1
97.10194	6.2
105.07037	56.6
107.08595	89.0
108.08909	3.0
109.06508	6.5
109.10158	60.7
111.08080	5.5
111.11732	5.5
117.06998	6.8
119.08589	63.0
121.10144	100.0
122.10451	3.0
123.08082	6.9
123.11710	30.3
131.08582	16.4
133.10127	48.5
135.08015	5.5
135.10675	4.0
135.11700	70.9
137.09601	3.8
137.13269	12.1
139.07568	3.7
139.11198	16.8
141.09113	3.6
143.08556	11.9
145.10133	28.2
147.11708	43.0
149.09599	7.0
149.13254	32.2
151.14856	3.3
155.08527	3.2
157.10194	13.6
159.11693	25.8
161.13281	37.3
163.11205	5.1
163.14845	21.4
167.10779	4.2
171.11702	13.2
173.09695	3.1
173.13268	16.3
175.11238	7.6
175.14879	20.8
177.12799	6.5
177.16455	10.5
181.12267	4.4
185.13271	6.9
187.11201	4.4
187.14818	21.2
189.12759	12.5
189.16383	26.0
191.14334	4.7
191.17949	20.6
195.11650	3.2
199.14987	5.0
201.16380	12.4
203.17970	16.1
205.15892	4.7
207.13765	3.5
213.16396	5.7
215.17993	9.5
217.19539	35.4
219.13802	3.3
221.15437	2.8
229.19656	4.5
231.17303	3.3
241.19586	3.5
243.21210	4.0
245.15352	4.3
247.16975	4.0
255.21083	4.6
257.22650	6.7
287.20068	6.6
301.21655	4.6
303.23090	5.0
351.30460	5.7
361.29037	4.1
369.31439	10.8
379.29913	22.3
397.30933	31.5
411.32364	3.6
415.32065	75.0
416.32510	8.3
421.30896	4.0
439.31897	15.1
444.83548	2.9
457.32404	21.1
458.33597	4.7
475.32605	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.342
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.03935	5.9
53.59822	2.7
55.05504	20.4
57.07080	6.8
57.67219	2.8
65.03927	3.5
67.05509	40.0
69.07074	36.2
69.23176	13.5
69.23579	6.5
79.05496	28.4
81.07063	98.6
83.05016	3.2
83.08617	11.0
85.06544	11.7
91.05488	24.8
93.07050	70.8
95.04998	5.6
95.08612	90.5
97.06519	6.2
97.10186	7.5
105.07041	51.3
107.08601	96.2
109.06526	5.1
109.10164	69.3
111.08101	5.5
113.09653	4.2
117.07054	7.4
119.08578	76.8
121.06493	3.2
121.10149	100.0
123.08126	4.5
123.11717	38.4
131.08597	12.7
133.10135	53.4
135.11697	74.4
137.13277	11.8
139.11194	21.5
143.08568	9.3
145.10135	25.1
147.11688	45.4
149.13269	32.7
157.10147	11.5
159.11682	27.9
161.13255	41.5
163.11198	5.2
163.14844	19.1
171.11729	9.7
173.13249	14.5
175.11259	7.2
175.14813	22.5
177.16354	4.8
185.13287	6.0
187.14871	11.1
189.12767	16.4
189.16400	35.3
191.14378	4.3
191.17928	23.4
193.00821	2.9
193.12231	4.5
199.14873	4.7
201.12807	4.4
201.16403	17.4
203.17888	16.1
205.19421	3.7
207.17395	14.1
211.14867	4.5
213.16458	8.0
215.18027	9.5
217.19530	47.4
227.17992	4.4
229.19510	4.9
235.16953	8.3
257.22711	4.3
285.22327	5.4
303.23074	7.9
332.16693	3.6
351.30493	8.9
361.28845	5.4
369.31555	10.9
379.29901	26.3
397.31061	35.1
415.32077	79.2
416.32318	6.3
439.36218	5.8
457.32623	21.7
475.38251	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	475.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01865	0.3
55.05513	2.0
55.58636	0.2
57.07080	0.5
60.65393	0.3
64.04536	0.3
65.03936	0.5
67.05505	5.3
69.03422	1.2
69.07074	2.0
69.15388	0.6
69.15790	1.6
70.06570	0.4
71.04999	0.4
79.05477	1.4
81.03425	0.4
81.07063	5.8
82.41017	0.3
83.04980	1.3
83.08628	1.0
84.04515	0.3
84.08128	0.4
85.02892	1.2
91.05496	1.7
93.07066	1.7
95.04979	0.7
95.08610	5.3
97.02866	0.6
97.06541	0.3
97.10166	0.4
100.11278	0.5
101.06001	0.8
103.05433	0.3
105.01878	0.5
105.07029	1.3
107.04955	0.6
107.08579	1.8
109.06520	1.4
109.09448	0.5
109.10160	7.5
111.04446	0.4
112.77675	0.3
112.84132	0.3
113.09612	0.3
113.80603	0.5
117.07004	0.4
119.08576	3.7
119.63150	0.3
121.06523	0.3
121.10190	1.6
122.07275	2.1
123.11700	1.2
125.06015	0.4
131.04968	0.3
131.08534	0.7
133.10085	1.3
134.10443	0.7
135.08038	1.1
135.11700	1.1
137.05968	1.0
137.09615	13.0
137.13269	0.6
145.10181	0.5
147.11743	0.9
149.09618	2.9
149.13269	1.1
151.07568	1.1
151.14842	0.6
158.95334	0.3
159.08038	0.3
159.11658	0.5
161.06003	0.4
161.09601	0.3
163.14780	0.7
165.09119	100.0
166.09457	3.2
167.07076	0.7
173.13222	0.6
174.13541	0.4
175.11235	0.4
177.09140	1.6
177.12753	0.4
179.10701	0.9
181.04967	0.7
187.11229	0.4
189.09113	0.4
189.12752	0.6
190.09898	1.1
191.10710	0.6
191.14296	0.9
192.14636	0.9
193.15852	0.3
201.12531	0.3
203.10672	1.2
203.57129	0.3
205.12257	6.4
210.15518	0.4
253.25046	0.4
261.54886	0.3
271.06036	0.8
285.78699	0.3
323.25781	1.0
357.18631	0.4
411.33160	0.4
429.33423	0.8
439.31967	0.5
475.15631	0.4
475.21347	2.3
475.33606	3.0
476.30887	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	475.3787
Annotation	Soyasapogenol A
Peak:m/z	Relative Intensity
53.03950	3.1
55.05517	17.5
57.03439	4.4
57.07075	9.3
59.05013	2.6
62.74628	1.8
67.05507	22.9
68.50309	2.2
68.50670	1.8
69.03437	4.7
69.07066	37.4
71.05007	4.7
71.08647	2.8
79.05495	21.4
81.07061	57.5
82.07385	2.0
83.04992	4.2
83.08624	13.6
85.06531	5.6
91.05479	16.3
93.07050	66.8
94.07344	3.0
95.04952	4.2
95.08608	77.0
96.08958	2.4
97.06544	8.5
97.10162	8.1
98.23450	3.8
98.98460	5.7
99.04477	3.2
99.08050	2.2
101.05991	2.4
105.07029	33.7
107.08595	96.4
109.06508	7.6
109.10155	49.6
110.10449	2.9
111.08070	10.3
111.11735	3.1
117.06998	4.0
119.08584	35.4
121.06557	3.8
121.10138	77.1
122.10456	3.6
123.08076	8.3
123.11703	27.3
125.09615	7.5
131.08574	13.2
133.10136	33.9
135.08046	4.7
135.11716	32.8
137.00012	4.4
137.09618	4.0
137.13275	18.6
139.07504	2.5
139.11205	7.7
141.07034	2.0
141.09062	3.0
143.08549	7.6
145.10133	21.7
147.08066	2.1
147.11684	21.7
149.09615	6.6
149.13260	100.0
150.13591	4.8
151.11101	3.4
151.14845	2.4
153.09146	2.7
153.12767	4.5
155.01064	5.0
157.10164	11.8
159.11705	32.5
161.09642	3.9
161.13300	20.2
163.11203	7.1
163.14833	8.4
165.12827	2.9
167.10689	4.7
167.14276	4.3
169.10139	4.7
171.11678	6.9
173.13300	10.0
175.11140	3.8
175.14827	10.4
177.12718	5.6
177.16415	17.1
181.12274	5.0
183.11812	4.2
185.13300	5.6
187.11153	3.2
187.14845	10.9
189.16389	11.4
191.05319	2.0
191.17950	5.7
193.15945	3.4
195.17465	3.5
197.13235	2.5
199.14853	6.4
201.12698	3.2
201.16393	36.8
203.14470	2.7
203.17953	5.7
205.15865	11.9
207.17485	3.0
211.14919	2.7
213.16330	2.8
215.17982	7.6
217.19547	2.6
219.13762	2.3
219.17487	6.6
221.15266	3.1
223.16911	36.1
225.16402	3.8
227.17859	3.9
233.19003	6.5
237.18509	3.6
239.18164	3.3
243.17473	9.8
243.21204	3.0
249.18585	2.2
251.20120	5.5
257.22662	2.8
261.18533	16.3
267.85858	2.3
281.22729	5.4
282.10333	2.2
285.22089	3.5
293.24527	3.1
299.23688	7.5
301.25327	3.7
303.23138	2.3
307.26248	3.8
313.27332	2.1
317.24390	2.9
339.28580	3.1
385.30383	2.1
403.33398	2.1
421.34723	21.0
422.34854	2.6
423.32132	2.8
439.35837	51.5
440.36179	5.0
457.37088	32.8
458.36993	3.8
475.32114	3.4
475.38232	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05512	6.2
57.07075	3.2
60.67793	1.5
67.05506	11.0
69.07077	10.9
71.04991	1.4
71.31744	1.4
79.05488	5.6
81.07062	20.5
83.04975	1.6
83.08629	10.5
85.06514	1.4
91.05480	3.7
93.07059	11.0
95.05022	1.9
95.08614	33.5
97.06556	1.6
97.10178	3.4
101.05999	1.4
105.07040	5.9
107.08602	32.3
109.10162	32.1
111.08082	2.6
111.11719	4.9
119.08596	6.1
121.10144	13.7
123.08057	1.5
123.11697	10.2
125.09640	34.5
131.08614	1.6
133.10127	4.9
135.11736	8.5
137.13255	5.8
143.10640	4.2
145.10120	3.1
147.11710	5.1
149.13243	9.2
153.09091	5.4
159.11694	2.1
161.13312	4.3
163.14848	4.6
171.10170	100.0
172.10542	2.7
175.14742	2.0
177.16377	4.7
181.41602	1.5
187.14821	2.8
191.17958	5.1
203.17966	3.1
205.19481	7.4
219.21069	1.4
227.18011	1.6
251.04701	12.6
287.27350	4.2
307.10959	2.8
363.17221	9.8
439.36053	3.3
457.36371	4.4
475.31973	9.1
475.37747	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	475.3784
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.03955	3.7
54.07386	2.0
55.05516	19.7
57.03445	2.9
57.07063	11.7
58.25455	2.4
67.05512	30.2
69.07071	44.4
71.04988	3.1
79.05496	21.2
81.07061	64.6
83.04994	5.1
83.08622	17.3
85.06554	7.1
91.05472	18.7
93.07050	40.0
95.04983	10.7
95.08613	100.0
97.06548	12.3
97.10187	9.2
99.04471	4.3
105.07040	42.4
106.64558	2.2
107.08600	65.8
109.06554	12.9
109.10162	59.3
111.08106	10.9
111.11729	13.4
117.07034	3.6
117.64526	2.2
119.08585	66.6
121.06511	3.2
121.10147	62.6
122.10532	2.6
123.08087	16.3
123.11719	37.0
123.12559	3.1
125.09607	3.2
131.08591	10.5
133.10139	59.9
135.08080	9.8
135.11699	40.4
135.12679	3.4
137.09637	10.1
137.13257	32.4
139.07588	2.8
139.11162	4.0
143.08572	5.3
145.10143	32.9
147.08000	2.9
147.11691	37.9
149.09648	7.7
149.13286	18.9
151.11179	10.1
155.08333	2.5
156.09258	2.4
157.10156	13.5
158.10800	2.5
159.11694	34.8
161.09668	3.9
161.13248	15.3
163.11168	4.8
163.14844	11.7
165.12848	4.6
167.10692	5.6
169.10141	2.8
171.11684	7.9
173.13242	14.9
175.11324	3.2
175.14835	14.4
177.12799	4.4
177.16394	12.3
179.14302	4.4
185.13266	5.4
187.14815	12.3
189.12755	3.4
189.16400	75.4
190.16753	3.1
191.14410	4.8
191.17978	22.6
191.70003	2.1
193.12346	3.4
193.15968	3.2
195.00323	5.6
195.13878	3.6
197.13370	2.6
199.14772	5.3
201.16374	54.3
201.18144	3.0
203.14520	2.8
203.17986	8.0
205.15945	5.3
205.19545	4.7
207.17445	94.2
208.17838	4.5
213.16447	5.0
215.17978	18.8
217.19493	4.8
219.17467	5.9
221.19019	6.4
227.17958	4.3
229.19730	3.0
231.17484	3.5
233.19006	18.4
235.17043	4.4
241.19524	5.8
243.21115	5.6
245.19104	3.4
247.17061	3.4
249.18599	6.6
251.20175	3.7
255.21123	3.7
261.22089	2.7
269.22681	9.5
283.23969	2.7
285.22217	3.5
291.23447	3.3
303.23251	4.8
315.53305	2.5
343.26263	3.5
397.31281	5.4
411.32370	3.1
421.34973	11.2
429.32965	5.4
429.37900	5.9
439.35901	60.3
440.36127	6.2
457.37399	25.4
458.36865	2.6
460.44910	2.4
475.31894	3.2
475.38702	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3787
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.03954	3.3
55.05515	20.8
56.89300	2.1
57.03438	8.8
57.07082	21.9
58.37559	2.0
61.02931	23.2
65.03949	2.0
66.29332	1.9
67.05511	30.1
69.03427	14.7
69.07071	40.3
70.12853	2.2
71.04992	6.0
71.08637	11.8
73.02920	9.9
75.03660	2.0
79.05485	14.5
81.03416	7.2
81.06583	3.1
81.07063	61.8
83.05013	4.5
83.08624	26.4
85.02911	23.8
85.06559	7.5
85.10196	5.8
91.03950	13.8
91.05476	16.3
93.07049	42.1
95.04980	8.4
95.08611	100.0
96.08935	2.6
97.02898	21.1
97.06543	15.4
97.10174	9.6
99.04469	5.1
101.02403	2.8
103.03931	4.7
104.32327	1.9
105.07042	32.5
107.08598	50.1
109.02929	4.3
109.06541	5.9
109.10160	70.6
111.08093	12.2
111.11687	10.3
113.09648	5.2
115.07491	2.4
119.08589	67.2
121.06600	5.2
121.10149	63.4
123.08083	13.8
123.10808	3.6
123.11709	64.9
123.12556	4.3
125.09616	4.5
127.03888	11.5
129.07016	3.3
131.08598	8.9
133.10136	64.1
134.10446	2.7
135.08078	3.4
135.11702	49.1
137.09644	9.6
137.13252	23.8
139.07571	2.8
139.11209	7.3
143.08614	4.6
145.04956	4.7
145.10118	17.1
147.04413	12.1
147.08087	5.0
147.11700	39.4
147.12770	3.9
149.09604	4.7
149.13266	30.2
151.11230	7.8
151.14842	4.1
155.08517	2.5
156.01364	2.3
157.10197	7.4
159.11664	14.8
161.09657	4.3
161.13255	17.2
163.11189	5.8
163.14807	15.5
165.12810	3.5
165.16357	5.0
169.10126	3.5
171.11713	7.3
173.13284	9.6
175.14828	8.9
177.12794	4.5
177.16379	5.9
181.12318	3.2
183.06662	2.6
185.13274	5.4
187.14859	7.8
189.12775	5.8
189.16412	98.9
190.16820	4.5
191.14345	4.4
191.17989	18.2
193.15964	3.0
197.13329	2.6
199.14938	5.3
201.07587	4.4
201.16431	13.5
203.17976	8.5
205.15985	2.4
205.19510	15.3
207.17447	87.4
208.17897	2.7
213.16371	3.1
215.17957	8.0
217.15942	4.9
217.19530	7.4
219.17491	8.3
221.18942	2.9
227.17990	2.8
229.15868	2.9
229.19539	4.8
231.17455	4.3
233.18951	11.6
235.14864	3.9
235.16956	39.4
239.23738	13.6
241.19489	3.3
243.21260	2.9
249.18448	4.5
251.20038	2.8
253.18018	9.0
255.21306	3.3
259.20779	2.8
285.68033	2.7
287.20276	3.1
287.23502	2.4
313.27386	43.9
343.26416	10.1
369.27957	11.9
379.30078	3.8
397.31107	10.8
403.33835	4.7
411.32416	4.3
415.32004	9.7
421.34720	15.4
428.51910	2.2
429.33527	10.0
439.35941	56.3
440.35999	8.3
457.37402	43.8
458.37341	3.2
475.32092	9.3
475.37784	30.7
476.38464	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	475.3786
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
51.02864	2.5
53.03950	4.6
55.01863	2.7
55.05515	22.1
57.03429	7.2
57.07078	22.6
61.02925	13.1
67.05502	30.3
69.03424	11.7
69.06724	3.5
69.07070	37.7
69.18339	20.6
71.01369	2.9
71.04990	19.2
71.08642	14.4
73.02921	5.9
79.05492	27.7
81.03431	7.5
81.07056	64.3
83.04992	5.9
83.08625	22.8
85.02905	19.1
85.06548	9.2
85.10184	6.3
91.03968	8.2
91.05500	16.5
93.07047	65.6
94.07377	2.7
95.04952	7.1
95.08611	86.3
97.02896	14.6
97.06538	10.1
97.10164	8.4
99.04469	8.3
99.08096	9.8
101.06047	2.6
105.07035	44.5
107.07851	4.9
107.08596	100.0
108.08932	3.3
109.06523	8.4
109.10164	74.9
110.10489	2.4
111.08061	12.7
112.29048	2.6
115.07553	4.6
117.07008	4.5
119.08585	56.2
121.06506	6.3
121.10144	67.4
123.08076	9.7
123.11717	42.8
125.09633	10.3
127.03928	5.1
127.11210	15.4
129.05421	2.5
129.07008	5.5
131.08583	18.0
133.10133	46.4
135.08069	9.1
135.11679	54.9
137.05965	3.2
137.09613	13.5
137.13228	13.9
139.11189	6.3
143.08589	7.1
145.10138	26.5
147.08031	6.0
147.11705	30.4
149.09598	7.1
149.13252	46.6
149.41013	2.5
151.07469	2.8
151.11194	6.3
151.14754	4.7
153.12714	6.8
155.08572	4.1
157.10120	9.6
159.11726	26.7
159.15308	2.5
161.09634	7.4
161.13239	23.1
163.11169	7.5
163.14832	13.1
165.12801	8.3
166.12959	2.4
167.14325	5.4
169.10167	5.7
171.11688	10.2
173.09560	3.1
173.13278	18.8
175.11259	5.1
175.14873	19.2
177.12746	8.0
177.16365	12.8
179.10651	4.4
179.14284	5.8
181.12277	6.4
183.11707	8.7
185.13290	11.0
187.14899	15.2
189.12746	7.0
189.16380	27.8
191.14310	6.9
191.17958	8.7
193.15977	4.5
197.13303	4.8
199.14848	8.9
201.12694	3.3
201.16389	20.6
203.14311	4.4
203.18015	7.9
205.15891	7.8
205.19472	3.4
207.17400	6.0
211.14801	5.6
213.16383	5.6
215.14310	3.0
215.17955	5.3
217.15877	4.0
217.19521	3.1
219.17491	8.0
221.15332	3.3
225.16537	4.4
227.17926	4.4
229.15784	3.0
229.19556	4.1
231.17435	4.2
233.18761	3.3
235.16855	4.0
239.23663	7.5
241.19540	2.9
243.21149	3.4
249.18512	5.3
259.20590	2.8
273.22052	3.4
275.20096	3.5
289.21866	3.5
291.23212	4.8
299.23660	2.6
303.23245	2.8
313.27374	28.9
317.24652	9.7
329.28677	6.3
335.26038	3.0
337.24927	3.1
369.27698	2.9
393.31540	3.6
397.26996	3.8
411.32571	10.6
421.35135	6.2
429.33804	6.8
439.36533	17.4
440.36337	3.9
457.37552	37.7
458.37717	4.2
475.31937	9.4
475.38196	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	475.3785
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
53.03945	4.5
55.01873	6.5
55.05314	1.5
55.05517	18.7
57.03425	4.6
57.07073	10.2
59.05010	2.9
62.06078	5.7
65.03934	1.9
67.05508	37.9
69.03425	4.9
69.07071	34.0
69.55132	5.1
69.55543	2.5
71.04976	4.0
79.05494	24.2
81.07059	55.7
83.04978	5.9
83.08616	15.8
85.06544	10.0
89.70284	1.6
91.04957	2.1
91.05489	24.0
93.07049	56.9
95.04961	7.0
95.08611	88.5
96.08920	3.0
97.06542	16.5
97.10191	7.7
98.23228	2.8
99.04501	2.4
99.08101	32.0
101.05993	1.6
105.07035	45.5
106.07383	1.9
107.08601	100.0
108.08920	2.1
109.06532	9.2
109.10162	79.6
110.10459	2.6
111.08087	29.1
111.11709	3.5
113.05994	2.4
113.09642	5.6
115.07554	2.0
117.07003	7.9
119.08586	84.9
120.08909	2.9
121.06485	5.6
121.10147	67.7
122.10510	2.6
123.08092	13.5
123.11713	41.7
125.06017	3.2
125.09608	7.7
127.07597	7.6
127.11166	11.6
129.06998	4.6
130.07806	1.6
131.05005	1.7
131.08585	14.2
133.10133	72.7
134.10492	2.6
135.08078	8.2
135.11696	75.6
135.30324	1.6
137.05885	1.9
137.09639	11.0
137.13287	8.2
139.07541	2.7
139.11183	11.5
141.07001	1.9
142.07745	2.0
143.08580	9.1
144.09346	3.9
145.10138	31.3
147.08049	2.5
147.11691	45.1
148.12006	2.5
149.09625	6.4
149.13261	27.1
150.13615	2.1
151.07610	1.7
151.11177	16.3
151.14833	2.7
153.12746	6.1
156.09261	2.7
157.10129	14.6
158.10851	1.9
159.11707	34.1
160.12250	2.7
161.09650	5.8
161.13255	28.4
163.07536	2.0
163.11197	10.5
163.14813	17.7
165.09108	5.7
165.12758	7.5
167.14334	2.5
169.10089	3.8
171.11708	14.8
173.09669	2.0
173.11852	1.9
173.13243	25.3
174.13962	1.9
175.11235	5.4
175.14838	29.9
176.15074	2.0
177.08975	1.8
177.12750	7.3
177.16347	8.1
179.10654	2.4
179.14346	6.2
181.12138	2.2
183.11754	6.5
183.13713	2.1
185.13303	9.0
187.14856	19.6
188.15361	3.1
189.12747	5.8
189.16396	67.8
190.16769	3.7
191.10663	2.4
191.14339	7.1
191.17924	6.6
193.12398	2.2
193.15924	11.0
197.13309	2.5
199.11110	1.8
199.14799	15.1
201.12743	2.6
201.16403	14.8
203.14345	3.8
203.17943	11.1
205.15936	3.3
205.19548	2.6
207.17456	64.4
208.17787	2.9
209.13251	2.0
211.14790	4.1
213.16397	13.1
215.17963	11.3
217.15886	24.1
217.19513	3.5
219.17468	6.0
225.16379	4.1
227.17973	6.5
229.19568	5.5
231.17447	8.0
231.21077	3.5
233.15390	2.3
233.19000	4.3
235.16946	11.4
239.17926	1.7
241.19521	4.0
243.21165	4.8
245.15265	1.8
245.19073	5.3
245.22606	2.7
255.21085	4.6
257.22559	3.5
259.20627	4.5
261.22156	3.3
267.20856	1.9
269.22653	2.3
271.20639	3.8
273.22134	20.5
281.22620	2.4
283.24149	5.0
285.22125	7.3
291.23233	9.7
301.25201	2.8
304.26312	10.1
313.25174	3.1
317.25070	1.9
331.26257	2.5
335.25873	14.4
351.26651	2.7
367.29843	4.4
369.27954	2.9
379.25925	2.9
379.30084	2.4
396.14948	1.7
397.27237	4.6
397.35104	4.0
415.28116	2.4
415.35638	4.5
421.34698	17.1
439.35962	41.7
440.36279	3.5
457.36929	62.4
458.37076	5.2
475.31235	2.7
475.33475	2.5
475.37720	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57377	0.7
53.03940	2.2
55.01874	2.1
57.56168	0.8
60.04510	0.8
61.02931	1.0
69.03434	3.1
69.09377	5.0
70.41414	0.7
79.05504	5.5
79.05884	0.9
81.03415	2.6
84.04519	0.7
85.02897	5.3
86.09702	2.1
87.00836	2.2
87.10082	1.0
89.03909	0.9
91.05481	2.5
95.04965	1.3
97.02899	3.0
99.04451	1.1
103.05476	6.4
105.01891	1.1
105.07032	53.8
106.07362	1.4
108.04510	1.7
109.02863	1.6
109.85172	0.8
115.05463	10.0
118.04153	4.7
127.03899	2.5
131.04939	1.2
133.06494	51.7
134.06828	1.3
137.06029	0.9
143.06018	3.6
145.04924	1.9
159.02873	1.9
161.05989	100.0
162.06303	3.0
168.23869	0.9
193.08609	83.1
194.08897	1.6
209.15561	0.9
230.17802	0.9
248.07744	0.9
338.07468	1.5
432.19495	1.0
476.18121	1.8
476.25290	1.5
477.18320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10738	0.8
53.03933	2.7
55.01880	3.9
57.03434	0.9
60.76414	0.6
61.02918	0.9
69.03428	4.7
70.06589	0.9
72.08149	0.7
73.02918	1.5
73.42854	0.6
79.05489	6.1
80.47221	0.6
81.03416	6.3
85.02905	14.4
86.09698	0.8
87.00825	5.7
91.05497	1.5
95.04930	0.7
97.02905	5.4
98.22618	1.4
99.04456	2.2
103.05474	6.7
105.01878	3.8
105.07030	47.8
106.07366	1.3
108.04460	2.9
109.02895	3.9
115.05462	7.9
117.01809	0.9
117.43988	0.7
118.04184	3.6
119.04932	1.2
124.38731	0.7
126.05531	2.2
127.03921	8.6
131.04897	1.5
133.06490	46.3
134.06851	1.1
143.05020	0.7
143.06017	3.5
145.04950	3.5
159.02881	3.3
161.05978	100.0
162.06320	3.0
179.83351	0.7
193.08604	82.4
194.08986	2.5
212.05727	0.8
230.06505	1.1
231.05016	0.9
248.07631	1.8
385.45520	0.7
450.68530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79102	1.0
53.03955	1.8
55.01875	2.9
65.02106	0.8
67.05629	0.8
69.03441	2.0
69.39517	2.4
69.39939	2.7
79.05489	5.7
80.71513	0.8
81.03426	3.3
85.02914	4.8
86.09798	0.8
87.00848	2.8
90.04723	1.0
91.05476	2.0
95.04954	1.6
97.02908	3.0
99.04492	1.6
103.05470	8.3
105.01892	1.3
105.07035	55.2
106.07363	2.0
109.02928	0.9
115.05443	12.2
118.04169	4.4
127.03915	4.0
131.04919	1.1
133.06496	56.3
134.06821	1.0
143.06020	4.5
145.04962	1.7
159.03001	1.2
161.05986	100.0
162.06390	2.5
193.08609	83.0
194.08963	2.2
197.38181	0.8
231.04977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11990	1.0
53.03952	1.6
55.01864	1.1
55.05518	1.8
57.01336	0.9
61.02931	1.9
67.05516	1.3
68.99793	1.2
69.03435	4.4
69.07072	7.8
69.27729	7.0
70.31462	1.1
74.99891	1.1
75.65251	1.1
81.03412	3.9
81.07070	2.7
83.78151	1.0
85.02906	10.5
87.00837	3.5
91.05480	3.2
93.07058	2.3
95.08624	5.4
97.02893	5.4
99.04465	2.2
105.01897	3.4
105.07021	7.4
107.08617	3.4
109.02897	5.0
109.10139	1.7
119.08576	32.5
121.10143	3.7
127.03925	5.5
131.08563	2.0
133.10132	28.6
134.10480	1.3
135.11653	2.2
137.05870	1.2
137.91501	1.3
145.04974	3.8
145.10127	1.9
147.11685	6.4
159.02928	2.3
175.14827	100.0
176.15189	6.3
177.16417	2.7
193.12328	1.4
193.15912	2.8
457.06418	1.2
476.32623	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01870	3.9
55.05524	2.1
57.03432	2.8
61.02930	1.8
67.05506	3.1
68.99789	1.1
69.03429	12.2
69.07076	2.8
71.04993	51.2
73.02912	2.4
79.05492	1.7
81.03421	10.6
81.07065	8.5
83.08638	1.4
85.02907	33.7
87.00829	14.1
87.08110	2.1
91.05492	2.1
91.71309	0.9
93.07045	4.1
95.08611	5.5
97.02896	13.5
98.22548	1.9
99.04459	4.0
105.01871	13.5
105.07025	4.2
107.04929	1.0
107.08595	6.3
107.13833	0.8
109.02882	10.4
109.06508	1.7
109.10176	2.6
117.01866	1.4
119.08566	4.8
121.10144	27.3
123.08089	2.5
123.11707	30.2
124.12021	1.3
127.03915	19.9
127.04784	1.6
128.04262	0.9
129.01839	1.1
133.10146	3.4
135.11673	2.6
137.09653	3.5
144.70580	0.8
145.04970	7.7
147.11742	1.0
149.09657	0.9
149.13286	2.3
151.11186	6.3
159.02917	4.4
165.09099	7.3
165.12779	5.6
166.09497	2.3
167.07097	1.6
167.14323	0.9
175.14807	8.1
177.16394	1.2
181.05016	1.6
193.15884	100.0
194.16232	4.6
211.16925	36.3
212.17320	1.1
213.03935	1.9
229.18005	2.3
231.05005	4.2
233.07996	0.9
249.06006	1.1
476.19379	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71465	1.8
53.03946	2.4
53.22949	1.4
55.05511	4.7
57.07076	4.3
64.33553	1.5
67.05515	5.5
69.03432	4.5
69.07071	6.5
69.14173	1.5
70.06594	1.8
70.53772	4.8
71.04997	3.5
73.02915	1.6
79.05500	11.9
81.03432	2.2
81.07056	17.1
85.02930	10.8
87.00842	5.7
91.05474	17.2
93.07053	22.0
95.04964	1.8
95.08604	25.5
97.02908	5.6
99.08105	9.7
103.05464	2.5
105.01895	9.4
105.07035	71.5
107.08592	29.8
107.09292	2.4
109.02892	3.6
109.10153	4.1
113.09639	4.1
117.07054	3.2
119.08582	64.1
121.10144	7.5
123.08070	2.4
123.11714	6.0
127.03941	8.3
131.08556	2.3
132.07407	1.6
133.10130	82.9
134.10468	3.3
135.11702	45.5
137.05983	2.9
137.09616	7.7
145.04962	5.1
147.11703	8.1
149.13264	2.4
165.09106	7.6
166.09346	1.9
175.14832	100.0
176.15141	4.5
193.15862	10.9
231.05029	5.2
246.29758	1.9
271.06046	5.1
272.06357	10.9
388.13742	1.6
476.18494	3.9
476.30905	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	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01860	1.5
55.05504	7.4
57.03448	2.4
57.07078	4.5
61.02919	2.9
67.05493	7.3
69.03425	6.6
69.07067	10.8
71.04990	4.9
71.31232	2.2
71.31583	1.8
73.02920	6.0
79.05492	17.7
81.03422	5.6
81.07062	19.1
83.04967	1.7
83.08624	2.6
84.04501	3.1
85.02903	17.6
85.06570	2.2
86.06066	9.9
87.00824	4.4
87.04483	1.7
91.05482	16.8
93.07051	23.3
95.04986	3.9
95.08614	32.0
97.02879	10.4
97.06538	2.0
99.04447	2.4
99.08072	7.7
103.05476	2.3
105.01877	6.5
105.07029	91.5
106.07387	3.5
107.07861	1.9
107.08595	37.6
108.08927	2.0
109.02850	2.9
109.06526	2.4
109.10144	6.7
110.10507	1.4
111.08118	1.7
113.09650	4.6
115.03931	2.2
117.07063	3.5
119.08582	69.2
121.10149	11.1
123.08070	1.5
123.11705	8.3
127.03931	9.2
130.05031	2.3
131.08569	3.7
133.10127	81.7
134.10507	2.9
135.11694	46.3
135.12688	3.0
136.11981	2.3
137.09621	9.0
138.11765	1.3
138.76973	1.4
145.04951	7.9
145.10121	2.8
146.10909	1.3
147.11659	20.9
149.13277	4.6
161.09596	2.9
161.13354	1.7
163.06018	1.8
165.09117	3.0
175.14828	100.0
176.15173	5.3
188.11513	1.7
193.12267	4.2
193.15862	11.9
204.69153	1.5
208.15416	1.5
231.05031	2.7
270.57913	1.6
287.05508	3.4
296.26053	1.8
476.32816	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05516	10.2
57.03447	8.7
59.16048	0.6
65.03950	1.9
67.05509	37.1
69.07079	8.7
69.29704	3.3
71.04964	0.7
76.77663	0.5
79.05501	20.1
80.05828	0.6
81.07063	32.7
82.07406	0.9
83.04988	1.2
83.08624	3.0
83.09047	0.7
91.05492	8.5
93.07050	20.0
95.04977	1.7
95.08614	23.6
97.06541	1.1
97.10187	1.2
98.06023	0.6
98.98453	0.9
103.05470	0.5
105.07037	4.6
107.08612	8.5
107.98119	0.5
109.06516	0.9
109.10159	9.1
111.08095	0.7
117.07029	1.5
119.08573	3.9
121.10152	5.8
123.11725	2.2
131.08580	1.8
133.10147	2.4
135.11699	3.0
137.13205	0.7
145.10182	1.3
147.11752	1.4
149.13281	0.9
159.11746	0.8
161.13284	0.9
164.92084	2.0
180.76964	0.5
261.22177	0.8
304.26312	5.5
305.26804	0.9
335.25818	100.0
336.26154	8.7
351.45718	0.7
379.56525	0.5
500.60791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.05521	11.6
57.03431	5.0
61.59425	1.9
62.06094	45.2
65.03944	1.7
67.05504	41.2
67.05836	3.0
69.07071	11.6
70.94118	3.0
79.05499	24.3
81.07057	32.7
83.08618	3.5
90.78075	1.5
91.05466	14.6
93.07053	28.6
95.04929	2.0
95.08611	27.8
97.06541	1.8
97.10196	2.3
98.06080	6.5
98.98465	13.0
105.07051	7.7
107.08596	11.4
109.10194	9.4
117.07034	3.1
119.08585	6.3
121.10161	11.2
123.11721	2.9
124.01645	3.0
131.08554	3.9
133.10155	6.9
135.11714	3.6
142.02679	2.7
145.10100	3.3
147.11765	4.6
149.13251	2.1
155.01070	4.9
159.11685	3.0
161.13310	3.3
164.92043	3.3
173.02142	2.0
173.13387	1.9
187.14951	2.5
198.05193	2.4
216.06320	3.9
261.22171	8.3
284.95929	1.8
304.26367	40.8
305.26901	2.8
317.24805	2.4
335.25812	100.0
336.26346	8.1
340.43842	1.6
458.26080	2.9
476.28107	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	476.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98032	0.6
53.03950	1.8
57.07075	0.6
65.03947	1.4
67.05514	1.1
69.07056	1.7
70.47311	1.2
76.73080	0.6
79.05496	16.6
79.05960	0.9
81.07067	0.8
89.06030	0.7
91.05487	31.5
92.05782	0.9
95.04974	1.9
98.34757	0.6
103.05479	8.2
103.20640	0.6
105.07034	75.6
106.06616	0.9
106.07365	2.0
107.08599	3.7
112.52351	0.7
133.06499	52.7
134.06819	1.2
135.08057	100.0
136.08382	2.6
151.07553	15.8
166.87407	0.7
181.10182	2.4
198.12787	27.6
276.30377	0.6
279.17767	33.3
280.18015	2.0
413.14746	0.7
477.33447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	0.7
67.05519	0.8
69.03435	0.8
69.07055	1.2
70.06585	0.6
70.68522	1.2
72.08163	0.5
73.02911	1.0
73.06555	2.2
81.07062	1.1
83.04975	0.9
84.08152	0.6
85.02906	1.2
86.09699	1.5
87.04469	6.5
89.06032	100.0
90.06378	1.4
91.05474	1.0
93.07059	1.0
95.04986	2.7
95.08610	0.7
96.05298	0.9
97.06496	0.8
105.07014	0.8
107.07095	1.8
116.10759	1.1
117.09129	0.9
126.25269	0.6
131.07043	2.6
133.08604	59.9
134.08983	1.1
137.05977	0.9
144.85468	0.5
146.10580	0.9
147.08078	2.8
162.56757	0.5
174.87646	0.6
175.09702	2.0
177.11223	20.5
221.13817	3.2
226.90578	0.5
230.17604	1.4
239.14954	0.9
265.16525	1.4
283.17480	0.8
327.20193	0.9
371.22873	1.1
415.25494	1.2
459.27994	6.6
476.25464	19.9
477.18036	1.0
477.25439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1369
Annotation	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
Peak:m/z	Relative Intensity
50.19250	0.6
53.03946	0.7
55.01862	0.7
67.05497	1.2
69.03424	2.7
69.07062	1.3
71.31296	1.0
71.42298	0.7
79.05492	0.9
81.03413	2.9
81.07047	2.4
85.02907	2.6
85.06550	0.8
87.00829	0.9
93.07046	1.6
95.08620	1.6
99.04458	0.8
103.54016	0.6
105.03374	2.0
105.07011	1.3
109.02878	1.2
109.10176	1.5
119.08569	1.2
121.06531	0.8
121.10181	0.6
127.03909	1.2
133.10110	0.8
135.08025	0.7
145.02600	1.0
145.10069	0.7
147.11714	1.3
151.21869	0.6
153.12642	0.6
165.09108	1.9
167.03084	0.7
208.27066	0.7
227.05284	2.0
229.08350	7.9
269.09952	3.5
271.04160	6.6
278.65576	0.6
311.11014	18.6
355.09988	33.1
356.10403	1.1
373.12717	0.9
391.13565	8.2
422.43698	0.7
433.08444	0.8
433.14679	54.1
434.15152	5.2
477.13647	100.0
478.13937	8.0
494.07663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01877	17.3
55.05507	11.6
55.64619	1.5
57.03434	4.0
57.07073	1.7
57.55291	1.5
61.02921	3.4
65.03934	2.7
67.05509	22.0
69.03430	6.8
69.07016	20.3
69.07301	6.2
71.05003	18.6
73.02932	3.0
77.03920	2.4
79.05499	32.2
81.03404	3.6
81.07063	66.3
81.32316	1.6
83.01336	4.7
83.04992	28.9
83.08615	8.1
85.02907	5.3
85.06551	10.0
86.09708	2.2
87.00829	3.2
87.04475	3.4
91.05482	26.2
93.07052	74.5
95.04979	32.0
95.08615	55.9
95.09227	2.6
97.02887	3.3
97.06539	45.2
97.07137	3.7
99.04454	26.7
99.34307	1.8
101.06022	3.6
103.05467	2.0
105.07037	58.4
106.07374	1.9
107.04974	5.9
107.08611	36.3
109.02899	1.9
109.06537	32.0
109.10159	11.3
111.00825	10.8
111.08096	43.7
113.06030	7.4
115.03932	4.3
115.05442	2.5
117.07033	4.0
119.04943	3.9
119.08588	31.3
120.08115	3.6
120.08911	1.7
121.06514	76.6
121.10200	8.7
122.06849	3.0
123.04381	8.3
123.08102	11.2
123.10895	2.7
123.11711	20.5
125.06012	21.2
127.03933	2.6
127.07560	15.5
128.06245	3.8
129.01833	9.1
129.07028	5.6
131.08572	10.5
132.58975	1.6
133.06531	5.6
133.10136	31.2
133.11066	2.8
135.04431	4.4
135.08080	18.4
135.11763	2.7
137.05989	4.8
137.09599	2.4
139.07555	42.5
141.05486	4.6
141.06992	2.2
142.07823	5.5
143.03433	5.8
143.07037	15.3
143.08560	9.4
145.10136	7.7
147.08049	6.6
147.11702	73.0
148.12111	3.2
149.09586	3.9
149.13278	5.7
151.07552	4.1
151.11192	11.7
153.09106	2.1
155.07059	2.2
155.08582	2.4
156.09390	2.4
157.06519	3.0
157.08635	17.3
157.10141	16.5
158.07303	2.1
158.86147	2.0
159.06573	15.7
159.07944	3.3
161.04474	5.0
161.05986	3.9
161.09618	2.5
161.13290	12.3
163.11166	2.1
165.09152	2.8
165.12784	28.0
166.07800	3.9
169.12247	44.6
171.02896	15.0
171.08095	2.2
171.11694	18.1
173.08197	2.2
173.09636	4.4
173.13292	3.0
175.11208	57.2
176.11559	3.4
181.10110	3.5
189.03954	4.5
189.12756	28.1
191.10663	2.1
191.14240	1.9
193.12257	79.1
194.12685	2.1
195.36996	1.9
199.11185	26.3
207.13869	15.2
208.14102	1.9
211.13303	75.4
212.13734	3.7
217.12248	98.5
218.12520	2.7
225.14940	3.4
229.14369	35.2
229.16669	2.2
231.05011	29.7
235.13307	100.0
236.13672	6.1
253.14363	70.9
254.14767	1.8
271.15402	4.0
281.75781	2.3
289.05313	7.2
327.10672	2.2
356.12598	1.6
423.16592	11.7
441.17770	8.5
448.97485	1.8
477.17529	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05514	22.6
57.07079	3.3
65.03956	3.4
67.05514	21.1
69.03429	22.0
69.07070	14.9
70.23839	5.7
70.24168	4.6
71.04992	7.9
73.02905	3.4
78.48182	3.2
79.05505	11.2
81.03420	11.3
81.07060	24.2
83.04980	31.9
83.08624	13.7
85.02906	20.9
85.06564	18.1
85.54345	3.2
86.06070	40.2
87.00829	9.0
87.06410	7.1
91.05453	7.8
93.06532	3.1
93.07056	14.6
95.04978	9.2
95.08620	22.5
97.02911	7.0
97.06533	4.3
97.10184	6.2
99.04477	3.6
99.08098	8.1
105.01873	6.5
105.07048	9.5
107.08611	22.9
109.02931	7.3
109.06602	4.0
109.10152	44.9
111.08114	2.8
119.08585	13.5
120.08945	4.1
121.10149	5.3
123.11720	23.0
125.09650	9.0
127.03916	12.4
127.11200	8.7
127.15116	3.2
133.10141	8.9
135.11719	13.7
137.09686	5.4
145.04961	5.5
145.10078	3.5
147.11693	7.1
149.13272	12.4
151.11206	4.2
153.12738	4.5
165.09076	16.0
166.09525	5.1
167.14363	14.5
169.12238	34.4
171.13776	4.2
172.57799	3.2
175.14880	8.3
185.15457	9.0
193.15880	11.4
209.15341	5.3
211.16948	71.1
229.17993	100.0
230.18411	4.3
231.05043	4.1
251.83936	3.2
253.17996	4.6
255.11456	4.2
262.18198	3.4
477.14288	4.1
488.72931	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	477.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06083	1.1
55.05515	1.7
56.51445	1.3
64.16700	1.1
67.05507	2.9
75.10001	1.2
81.07066	3.8
88.82175	1.3
91.05466	1.5
93.07056	4.6
95.04969	1.2
95.08620	2.1
98.22528	1.9
105.07053	2.9
107.08606	4.2
109.10163	2.7
111.08123	1.3
119.08574	2.9
121.10137	2.1
131.08626	1.7
133.10133	2.7
135.08061	1.6
135.11720	1.8
143.08510	1.7
145.10185	1.9
147.11668	1.7
151.11320	1.3
184.99188	1.8
185.04245	4.5
197.07350	1.1
315.19308	98.0
315.57809	1.2
316.19690	6.8
399.90549	1.1
477.24600	100.0
478.24850	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	477.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.6
54.63291	6.0
55.05516	22.1
57.03426	6.2
59.36794	5.6
67.05524	31.0
69.03426	10.6
69.07072	10.7
69.68111	6.5
71.30004	8.9
79.05487	34.5
81.07073	63.3
83.04984	71.9
91.05480	46.2
93.07058	72.6
95.04990	14.1
95.08609	69.4
96.08927	7.7
103.05471	6.8
105.07042	58.6
107.08583	31.6
109.06520	42.6
109.10168	22.7
111.04462	31.7
111.08086	36.0
115.05465	10.3
115.71647	5.2
117.07062	35.4
119.08585	77.7
120.08964	7.1
121.06514	24.9
121.10148	24.2
123.08103	10.5
123.11747	10.9
128.06230	20.8
129.06995	17.5
131.08575	37.1
131.09393	5.5
133.06532	7.9
133.10132	55.1
135.08083	23.7
135.11710	11.3
137.05981	57.6
139.07521	29.2
141.06961	18.0
142.07848	8.3
143.08580	33.9
144.09203	5.7
145.06467	15.6
145.10098	35.5
147.11684	23.7
149.09605	7.1
153.06897	7.2
154.07808	15.3
155.08542	29.0
156.09364	19.0
157.10124	25.4
159.08037	9.1
159.11751	29.3
161.09621	10.8
161.13322	6.7
167.08632	15.6
168.09401	9.1
169.10130	38.3
170.10899	9.8
171.08073	12.9
171.11710	33.7
173.09628	23.1
173.13271	9.0
175.11162	7.9
179.08592	25.6
180.09296	9.7
181.06761	6.1
181.10127	18.0
182.07161	6.0
182.10887	7.1
183.11710	24.5
184.12332	5.9
185.09573	14.7
185.13280	17.6
187.11234	23.3
189.09082	9.2
192.09328	7.5
193.10158	20.6
194.10869	12.4
195.11732	13.6
196.12450	7.9
197.09613	43.9
197.13333	18.5
199.11198	7.1
205.10126	8.4
206.10982	11.3
207.11699	17.8
208.12396	7.8
209.09613	10.3
209.13272	22.3
210.10403	9.7
211.11247	11.1
211.14835	6.9
213.12851	7.5
215.10698	44.0
217.10208	8.7
218.10936	12.5
219.11751	17.4
220.12466	8.5
221.13229	19.1
223.11156	14.6
223.14890	15.2
225.12791	18.8
225.16367	7.9
227.14227	7.8
231.11667	17.0
232.12439	14.9
233.09683	6.4
233.13403	15.4
234.14076	10.6
235.11111	7.6
235.14865	18.8
237.12827	17.2
239.14351	13.1
243.11696	11.6
244.12610	11.3
245.13329	9.6
246.13940	6.6
247.11165	9.2
247.14883	9.1
249.12759	12.5
257.13208	10.8
259.14899	13.9
261.12683	15.3
261.16425	8.8
263.14319	14.2
263.21967	7.4
271.11163	6.7
271.14859	11.6
273.12756	7.6
273.16357	10.8
274.13333	8.2
275.14487	10.5
275.17963	10.7
276.15161	7.1
277.16040	7.3
277.19495	8.7
285.12943	7.8
285.16135	6.9
287.14432	12.4
288.15186	8.7
295.16998	7.8
299.17938	8.0
301.15985	17.3
303.17432	9.4
315.19131	15.0
317.19208	8.5
319.17017	7.9
323.20126	12.7
326.16843	6.9
327.17340	10.9
333.18515	8.2
342.19925	10.1
345.18604	13.4
347.20157	10.7
349.21606	8.9
351.89264	7.0
356.11362	6.3
360.20804	10.6
403.18979	9.9
411.31668	17.5
412.53384	7.4
413.24771	18.9
423.23288	12.3
431.25955	60.6
441.24448	47.0
459.25192	100.0
460.25613	12.3
477.26147	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.07078	0.5
67.05491	1.0
69.03438	0.3
69.05924	2.9
69.07058	1.3
75.14706	0.3
79.05513	0.7
81.07043	1.3
83.08611	0.5
91.05476	0.6
93.07043	1.0
95.08599	1.6
105.07050	1.2
107.08592	1.5
109.10167	1.1
119.08546	1.2
121.06493	0.3
121.10172	1.0
123.08074	0.5
123.11710	0.7
131.08582	0.5
133.10133	0.9
135.08112	0.4
135.11674	0.5
145.10060	0.4
147.08028	0.3
147.11688	0.6
149.13234	0.7
157.10222	0.6
159.11737	0.7
161.13261	0.4
171.11646	0.3
175.14850	0.4
187.14766	0.3
189.16409	0.4
193.04910	0.3
201.99706	0.3
219.11571	0.3
228.91167	0.3
245.19052	0.4
281.18954	0.4
308.92841	0.3
376.08334	0.3
385.88516	0.3
412.40860	0.3
447.29114	0.4
477.33435	100.0
478.33777	11.8
495.34717	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05511	1.8
57.03443	0.5
59.29179	0.4
59.48484	0.4
65.03933	0.8
65.55872	0.5
67.05511	4.9
69.03431	1.5
69.07075	1.5
69.64278	0.4
70.63037	0.5
71.04974	0.4
71.30568	0.6
72.80173	0.5
75.69913	0.5
77.35023	0.4
79.05499	1.4
81.03410	0.7
81.07067	4.9
83.04971	0.9
83.08628	1.3
85.02901	1.8
85.06546	1.1
87.00848	0.8
91.05479	2.2
92.08408	0.5
93.07048	1.6
95.04972	0.7
95.08624	4.3
97.02925	0.6
97.06531	0.5
97.10165	0.8
99.04455	0.5
105.01842	0.8
105.07016	1.4
107.08585	1.7
109.02894	0.7
109.06525	1.0
109.10160	6.6
111.11719	0.6
117.07049	0.5
119.08584	3.8
121.06483	1.4
121.10165	1.3
122.07301	1.4
123.08053	0.7
123.11692	1.1
127.03916	1.6
129.06946	0.5
133.10167	1.0
135.08051	0.8
137.09630	10.7
137.13232	0.8
139.07564	0.5
143.98073	0.5
145.05005	0.6
145.10152	0.9
147.11665	0.7
149.09669	0.6
151.11172	0.6
159.02855	0.6
161.09698	0.8
163.11160	0.6
165.09126	100.0
166.09457	3.3
173.13280	0.6
175.11203	0.4
179.10716	0.9
189.12677	0.5
194.10571	1.0
195.11726	0.9
197.19006	0.7
239.72795	0.5
261.25778	0.6
272.40500	0.6
279.26871	0.5
455.11603	0.5
455.54211	0.5
459.28476	0.6
459.35007	0.6
477.20081	0.8
477.28552	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48306	1.8
55.05515	20.2
57.03429	2.4
57.06828	4.0
57.07080	43.2
58.79283	2.3
67.05509	19.0
69.07069	30.7
69.13454	17.1
71.08635	31.0
79.05486	12.3
79.80891	2.1
81.07060	36.1
83.04960	2.6
83.08620	22.9
85.10190	18.6
90.64811	1.9
91.05474	9.0
92.73364	2.1
93.07034	12.4
94.61929	2.2
95.08613	31.7
97.06532	7.3
97.10171	15.5
99.04473	5.6
105.07042	13.9
107.08601	9.9
107.90352	2.3
109.06506	18.7
109.10166	13.7
111.11756	2.8
111.81833	2.2
119.08594	8.5
121.06490	4.0
121.10161	7.0
123.08070	15.1
123.11687	5.8
125.06001	28.0
125.09660	2.9
125.13253	4.3
127.07574	33.6
131.08600	6.0
133.10159	7.3
135.08060	8.0
135.11685	2.5
137.05991	15.0
137.09666	3.0
137.13246	2.6
139.07549	100.0
145.10197	2.9
147.11700	4.8
149.05998	5.3
149.09587	4.6
151.07512	10.9
151.14851	2.9
163.07573	3.5
165.09096	5.7
167.07071	7.3
175.11180	2.9
175.14807	5.0
177.09111	14.0
178.96271	2.0
179.10622	2.9
182.20287	2.1
193.12207	3.1
205.80081	2.1
206.34543	2.5
207.13803	3.4
221.15486	3.9
249.14929	7.1
249.18449	3.5
291.23251	2.3
298.66891	2.7
301.28949	9.9
319.29929	11.8
347.33173	6.2
373.31174	3.0
385.34863	4.4
399.36377	4.2
403.35651	3.5
417.37354	22.6
418.37567	3.0
427.35788	9.7
440.78134	2.3
445.36780	92.8
446.37012	9.0
477.39429	34.7
478.39114	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	478.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.4
53.03935	1.4
55.01863	1.3
57.03436	0.9
60.04515	0.6
61.02929	0.6
67.05506	1.0
69.03421	2.7
69.40728	2.7
70.06593	1.2
71.05002	0.9
72.08134	0.6
73.02900	1.5
79.05486	3.2
81.03420	2.9
81.07056	1.5
84.08113	0.5
85.02908	5.8
85.06541	0.6
86.09695	0.6
87.00823	2.2
91.03965	0.4
91.05479	3.1
93.07031	1.5
95.04972	2.4
95.08640	0.6
97.02872	3.2
97.06513	0.6
98.06039	0.4
99.04434	0.8
103.05482	2.6
103.62530	0.4
105.01880	0.8
105.07043	4.0
107.04958	29.9
107.08608	1.2
108.04509	1.0
108.05246	1.1
109.02903	2.1
109.06482	0.5
111.04440	1.1
115.05473	2.4
117.06980	1.1
119.04996	0.6
119.08604	0.7
120.08105	0.8
121.06462	0.9
123.04417	0.5
123.08060	0.6
124.07584	0.4
127.03884	3.3
129.10243	0.5
131.04904	1.3
131.08575	0.5
133.06541	0.7
135.08058	9.0
136.07491	0.7
137.05984	1.0
140.10701	1.0
145.04947	1.7
145.07584	0.9
147.02905	0.5
147.04372	0.5
151.03908	0.4
151.07553	0.7
154.06255	1.6
159.02904	1.4
161.06020	0.6
163.03905	1.2
163.07550	14.6
164.08029	0.7
165.05479	0.6
167.07050	13.3
168.07426	0.6
170.90405	0.4
180.07889	2.5
195.10172	100.0
196.10503	4.0
213.11195	0.6
215.10565	0.5
248.07594	0.7
265.19379	0.5
281.10257	0.5
285.11841	0.4
285.15164	0.5
289.05023	0.6
347.77548	0.4
442.28271	0.5
478.18652	1.2
478.26065	1.0
479.31921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32679	0.6
53.03936	1.1
54.25304	0.5
55.01878	1.2
57.03428	0.8
69.03432	1.9
69.25106	3.9
79.05491	2.5
80.60178	0.6
81.03423	2.2
85.02899	5.1
86.09682	1.0
87.00839	1.3
91.05461	2.3
91.28001	0.6
93.37199	0.7
95.04965	0.9
97.02876	2.3
99.92999	0.6
103.05462	2.2
105.01863	1.3
105.07033	4.2
107.04958	24.7
108.04511	0.7
108.05244	0.7
109.02871	2.3
115.05449	1.5
120.08109	0.9
122.82481	0.6
123.04443	0.7
127.03897	1.7
135.08058	8.7
145.04941	1.4
154.06279	2.3
159.02878	1.0
163.07555	15.5
167.07040	14.3
180.07774	3.3
187.11076	0.7
195.10170	100.0
196.10486	4.2
231.59561	0.7
389.10849	0.8
478.25674	1.1
479.32233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.04966	0.3
53.01651	0.4
53.03950	0.9
55.01869	0.7
55.05516	13.6
57.03442	7.8
57.07076	1.8
57.68057	0.3
57.87264	0.3
62.06079	0.8
65.03941	0.8
67.05509	27.2
69.03405	0.3
69.07072	17.3
69.31768	1.3
69.32182	0.7
69.87654	0.3
71.04987	1.0
71.08630	0.9
72.28209	0.2
73.54969	0.3
79.05495	8.2
81.07062	28.7
82.07393	0.5
83.04536	0.3
83.04987	1.4
83.08629	7.8
85.05252	0.3
85.06533	0.8
85.10168	0.3
91.05486	5.8
93.07051	8.3
95.05004	0.9
95.08611	22.1
96.08966	0.5
97.06516	1.9
97.10175	3.9
98.06044	0.7
98.98489	0.8
99.08080	0.4
105.07047	4.7
107.08601	5.0
107.26907	0.3
109.06538	0.9
109.10160	7.5
111.08080	0.9
111.11702	0.8
113.09647	0.3
115.41335	0.3
119.08580	3.5
121.10141	3.5
123.11709	3.6
124.01607	0.6
125.09631	0.6
131.08557	0.4
133.10144	3.7
135.11707	1.8
137.13263	0.9
145.10138	0.4
145.17946	0.3
147.11671	2.0
149.13246	0.9
151.11201	0.6
151.14839	0.5
161.13275	1.4
163.14807	0.5
175.14854	1.1
189.16359	0.6
198.05411	0.4
216.06291	0.9
218.39143	0.3
245.22592	0.5
263.23688	1.5
306.27954	4.2
335.18558	0.4
337.27368	100.0
338.24048	0.5
338.27774	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	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
54.61666	0.8
55.05270	1.3
55.05515	16.7
55.05968	0.7
57.03444	5.3
57.07071	2.0
60.61752	0.8
62.06092	36.8
62.29762	0.7
65.03957	1.3
67.05510	35.8
67.43280	0.8
69.07071	17.0
69.62236	0.8
69.66893	2.2
69.67297	2.1
71.05013	1.3
71.08621	0.7
75.72717	0.7
79.04645	0.7
79.05500	8.4
79.73999	0.8
80.05828	1.0
81.07062	35.8
82.07390	1.0
83.04982	3.4
83.08622	8.4
85.06575	0.8
91.05476	6.9
93.07051	11.9
95.04969	0.9
95.08612	26.9
97.06519	2.2
97.10178	3.8
98.06068	5.0
98.98475	13.5
105.07037	5.2
107.08586	6.0
109.10163	10.8
111.08097	1.6
117.07011	1.1
119.08574	4.5
121.06518	0.8
121.10154	7.4
123.08140	1.0
123.11733	5.0
124.01604	1.9
125.33041	0.8
133.10130	5.2
135.08131	1.1
135.11711	3.8
137.13287	2.3
139.11127	0.8
142.02721	1.4
145.10127	0.9
147.11731	2.7
148.60474	0.9
149.13283	2.4
151.14799	0.9
155.01071	4.8
161.13292	1.5
163.14816	1.4
165.12726	1.5
169.10173	1.1
173.02132	1.5
177.16539	1.0
198.05260	2.2
209.13385	0.8
216.06363	3.5
221.93610	0.8
245.22643	2.3
263.23770	7.1
268.98816	0.9
306.27924	39.9
307.28256	1.7
319.26297	1.9
337.27365	100.0
338.27744	6.8
362.57639	1.0
379.11621	0.9
393.29416	0.9
397.12784	1.4
403.33423	1.1
415.31729	1.1
460.27985	1.9
478.29080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.13651	0.6
55.01856	0.9
55.05516	4.8
60.13626	0.7
62.06086	1.7
66.14169	0.6
67.05503	6.0
69.07075	4.8
70.57816	1.3
79.05502	2.1
81.07049	5.4
81.40808	0.7
83.08613	2.0
85.05299	1.4
93.07049	1.0
95.08622	4.6
97.10173	0.7
98.06062	11.6
98.98454	3.1
99.41740	0.7
109.10135	1.5
112.07597	1.1
121.37759	0.6
140.10748	1.0
142.18581	0.7
149.02309	2.3
192.10152	0.7
193.04988	3.2
196.16931	0.9
222.18433	0.8
240.65112	0.6
248.73894	0.6
298.11166	0.8
306.27893	100.0
307.28156	5.4
312.32495	0.9
337.27258	1.9
478.29190	0.9
478.35049	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	478.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.05511	8.5
57.07071	3.8
59.10080	1.1
60.60642	1.2
61.02868	1.1
67.05502	11.0
69.07074	9.4
70.42924	1.2
71.04992	5.7
79.05499	5.8
81.07060	19.7
83.08617	10.7
85.06539	14.1
91.05479	4.4
92.57344	1.3
93.07043	17.7
95.08605	34.7
97.06553	4.6
97.10175	11.2
99.04474	2.5
105.07040	15.1
107.08594	28.0
109.10162	23.9
111.08076	4.4
111.11758	1.6
113.09648	3.7
115.07540	1.5
117.07017	2.4
119.08589	23.6
121.10143	30.0
123.08031	2.6
123.11700	8.7
124.93772	70.3
125.09586	3.3
131.08572	8.1
133.10130	23.0
133.11075	2.5
135.08081	3.2
135.11684	14.9
137.09651	4.2
137.13269	3.7
139.11159	3.0
142.94823	32.3
143.08553	2.4
143.10703	6.0
145.10130	16.1
147.11667	14.9
149.09612	5.1
149.13274	10.2
151.11168	3.7
151.14847	2.0
153.09134	2.4
157.10129	4.1
159.11708	13.4
161.13274	13.2
163.11211	4.9
163.14807	6.6
167.10670	9.2
171.11681	2.6
173.13251	8.9
175.11188	1.2
175.14816	10.6
177.12767	3.9
177.16391	5.1
179.10591	1.4
179.14259	1.7
181.12276	7.2
185.13229	1.9
187.14813	11.1
189.16383	11.1
191.14322	3.5
191.18011	1.6
193.15923	9.4
195.13864	4.1
198.97411	5.1
199.14833	3.2
201.16402	15.6
203.14314	2.3
203.18030	8.0
203.19643	1.3
205.15927	9.7
207.17525	8.7
213.16394	4.4
215.18045	4.3
217.15927	2.8
217.19449	1.4
219.17372	6.7
221.15340	2.0
221.44110	1.3
223.16927	5.5
224.17393	1.5
229.19556	3.1
231.17494	3.0
233.19025	5.7
235.16977	1.8
237.18512	4.4
243.20882	1.5
249.18677	1.8
251.20151	2.5
269.22662	1.3
273.22141	1.8
283.24283	4.3
297.22574	1.7
297.25732	2.5
301.25266	1.8
315.26868	2.4
334.03186	1.2
337.24957	1.6
351.26810	2.2
377.41541	1.4
383.33224	2.5
389.32117	3.0
407.33105	23.1
425.34158	65.1
426.34357	6.3
432.22791	1.2
443.35110	18.3
444.35410	2.2
461.20422	24.9
461.36139	4.5
478.38885	2.8
479.21451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22741	0.5
53.03940	2.2
55.01877	0.9
57.03434	3.2
59.05011	0.6
61.02924	4.5
62.62991	0.5
67.05503	1.3
69.03432	14.3
69.03813	0.7
69.07063	0.6
70.67323	0.7
70.67668	0.8
71.04990	1.8
73.02925	2.8
76.97614	0.6
79.05480	0.6
81.03417	5.7
81.07058	1.2
85.02906	22.3
87.04455	2.6
91.03969	1.3
91.05481	1.2
93.07028	1.5
95.04963	0.6
95.08581	0.9
97.02893	11.3
97.06556	0.7
99.04452	2.3
101.02364	0.5
105.07029	1.3
107.08591	1.2
109.02902	4.2
109.06532	0.8
109.10177	0.7
117.07021	0.6
117.10609	0.5
119.08551	0.9
121.10117	1.1
127.03914	6.1
133.10115	1.0
145.04976	4.8
145.10127	0.5
153.30287	0.5
175.14842	0.8
176.15105	0.6
182.08415	1.2
190.59749	0.5
197.10736	2.7
198.09171	0.9
209.07114	0.7
210.07843	2.6
212.09450	0.7
225.10216	9.1
225.12274	0.8
226.10590	0.6
238.07347	0.7
240.08977	1.6
253.09743	5.7
255.11272	3.0
257.09167	2.2
268.08456	1.0
271.10812	7.1
281.09189	2.1
299.10260	61.4
300.10666	3.4
317.11313	100.0
318.11673	6.3
389.10913	0.5
426.14648	1.3
451.48352	0.5
479.16556	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	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19886	0.4
53.03948	2.5
67.05492	0.7
69.03436	0.8
70.06591	2.5
71.04992	0.4
71.31746	0.6
74.85499	0.4
79.05489	0.8
81.07048	0.6
82.07382	0.4
84.08131	0.8
85.02920	0.7
86.09698	0.7
91.05481	1.4
93.07060	1.0
95.04976	0.7
95.08652	0.6
105.07059	1.0
107.04952	0.5
109.02879	5.7
109.10181	0.5
120.08138	0.9
121.06525	0.6
130.06541	0.5
132.05795	0.5
133.10146	0.5
136.07510	0.4
137.05959	2.0
145.34132	0.5
149.05936	0.5
167.07072	1.4
173.02414	0.6
177.05473	0.7
185.04369	0.6
187.41190	0.4
191.06967	0.6
192.07814	1.1
213.18430	0.6
231.13525	3.5
245.06264	0.4
265.15192	3.1
271.04202	2.2
276.12161	0.4
289.05374	2.9
335.23145	0.7
374.43671	0.5
375.17789	1.3
393.18857	8.3
394.19174	1.0
417.18884	1.6
435.19907	37.8
436.20074	2.3
479.18878	100.0
480.19168	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.6
69.10569	4.6
91.05528	0.5
105.65227	0.6
108.96576	0.5
114.09154	0.7
137.06001	1.0
165.09070	0.5
178.79243	0.4
181.06464	0.6
231.13708	2.5
259.12982	1.0
271.04123	0.7
286.97162	0.5
375.18106	0.7
393.18790	10.3
418.71777	0.6
435.19897	31.8
436.20300	2.2
479.18900	100.0
480.19165	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	479.1891
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
54.53622	0.2
55.05510	0.4
55.23738	0.2
57.07064	0.3
66.99209	0.2
67.05508	0.5
69.03444	0.7
69.07088	0.4
70.45295	0.7
79.05496	0.6
81.07065	1.0
82.64084	0.3
85.02913	0.4
85.06543	0.4
90.74926	0.2
91.05497	0.5
93.07068	0.3
94.46271	0.2
95.04964	0.3
95.08612	0.6
97.02908	0.3
105.07035	0.6
107.08578	0.6
109.10201	0.5
113.05885	0.3
119.08585	0.3
121.10126	0.3
123.08051	0.4
123.11762	0.3
127.03945	0.3
131.08490	0.3
133.10165	0.4
135.11687	0.4
136.05206	0.5
136.32193	0.3
137.06026	0.3
149.02357	0.7
151.07600	0.3
153.01855	0.5
156.51775	0.3
157.10213	0.2
165.09126	1.2
171.00572	0.3
189.01675	0.6
203.03426	0.5
203.05235	0.4
229.04988	0.8
241.04741	0.3
242.05785	1.0
243.06229	0.6
245.07837	1.1
257.04462	5.1
257.10043	0.7
258.05252	0.9
261.07486	1.6
270.05377	0.7
271.06021	0.3
275.11020	4.8
285.03970	0.4
286.04706	1.6
287.05527	1.7
297.03934	1.6
299.12579	1.9
311.05545	0.8
317.13586	2.9
353.94263	0.2
361.06906	0.3
373.07175	0.5
389.06680	0.4
416.90140	0.3
423.12778	1.4
435.10641	1.6
436.11069	0.3
446.06146	0.6
461.08762	0.5
479.10278	4.8
479.18924	100.0
480.19250	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	479.1889
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
55.05511	1.0
62.91890	0.4
67.05499	1.5
69.03413	0.7
69.07064	1.0
69.24821	3.5
70.24921	0.4
70.35963	0.4
71.05029	0.4
79.05488	1.1
81.07075	2.1
83.04968	2.5
83.08622	0.4
85.02926	0.9
91.05479	1.0
93.07040	1.2
95.04967	0.7
95.08609	1.4
105.01820	0.6
105.07046	1.1
107.08575	1.1
109.10165	1.5
113.05783	0.4
117.07034	0.5
119.08575	1.2
121.06529	1.0
121.10134	0.8
123.11687	0.7
133.10143	0.9
135.08118	0.7
135.11720	0.7
137.06027	0.7
137.09625	1.0
141.06987	0.6
143.08643	0.6
145.10146	0.6
147.08173	0.5
147.11702	0.5
151.96825	0.6
159.11769	0.7
165.09096	5.0
166.09486	1.1
169.10072	0.5
209.21904	0.4
245.07947	0.7
261.07361	0.9
275.11029	6.8
317.13721	1.1
380.36084	0.4
423.12732	1.2
479.18912	100.0
480.19260	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.05509	4.0
60.93688	1.4
67.05508	5.9
69.03425	7.1
69.07063	3.9
71.04980	2.1
76.00002	1.3
79.05495	5.3
81.03425	5.1
81.07044	9.6
83.04990	2.9
83.08624	2.0
85.02908	9.6
85.06544	4.6
87.00830	2.0
88.60520	1.2
91.05486	6.4
93.07042	4.9
95.04962	2.2
95.08624	14.8
95.73540	1.3
97.02882	3.0
97.06521	1.9
97.10189	2.4
98.23299	2.6
99.04486	1.4
105.01877	4.1
105.07050	6.0
107.04982	1.6
107.08591	10.0
109.02898	4.7
109.06528	3.3
109.10155	3.1
113.09644	3.2
119.08622	4.3
121.10171	3.7
123.08104	3.2
125.09645	7.5
127.03886	7.2
129.07014	1.7
131.08563	2.7
133.10135	2.4
135.08046	3.1
135.11629	2.1
137.06003	4.0
137.13106	1.7
143.10718	1.9
145.04980	1.5
145.10129	3.0
147.08034	1.4
147.11757	1.9
150.55579	1.5
159.02972	1.2
161.13309	2.3
164.07103	1.9
165.09239	1.9
167.03477	1.5
171.11697	1.5
179.08578	2.0
185.09573	1.4
197.15445	1.9
225.12680	1.4
231.13643	5.4
245.06406	2.3
251.17824	1.4
289.05414	5.5
317.11472	1.4
381.05545	1.4
383.33197	1.3
393.18799	7.6
435.19925	31.7
436.19849	3.5
479.18896	100.0
479.30139	5.9
480.19342	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	479.217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	81.2
57.03440	2.4
57.05335	1.5
58.06605	11.0
61.01153	52.6
68.05016	1.8
69.03440	4.5
70.02944	6.4
70.06599	3.6
70.48399	2.7
70.48772	3.0
72.08155	1.3
73.02918	1.8
74.06082	100.0
75.02724	3.5
75.06418	1.4
81.07103	2.4
82.06555	1.9
84.04501	11.6
85.02895	4.2
86.06081	1.3
86.09703	40.5
88.03999	8.5
91.05461	2.9
94.06554	1.8
95.04932	1.6
97.02906	4.5
99.05573	1.5
100.03989	1.8
100.07603	4.0
101.07130	1.7
104.05330	82.3
105.07022	1.7
108.04481	7.0
110.02368	1.2
110.06042	6.9
111.05602	1.8
112.11205	3.4
120.08111	1.5
121.06551	1.7
124.11230	2.2
125.07114	4.1
126.05514	23.3
126.06355	1.9
127.03951	2.2
127.05023	2.3
127.08714	2.9
129.06635	2.4
130.04974	3.1
130.06837	2.3
131.08577	2.4
132.10199	26.8
136.03969	1.5
137.05949	1.6
138.05511	4.2
138.09175	2.3
141.13898	5.9
143.11806	1.3
144.06561	25.1
145.06082	3.6
145.10115	1.4
149.09515	1.3
151.07547	3.4
152.10741	1.9
153.06622	4.8
154.05074	1.7
154.08630	1.9
156.04787	9.3
158.11758	3.2
164.07152	1.4
169.13319	6.6
170.09241	1.6
171.07660	4.5
173.07504	1.3
174.05864	17.5
175.06288	1.4
175.08929	1.6
181.06122	1.6
183.07918	1.5
184.06761	1.4
187.14388	8.8
189.08746	11.0
192.02872	2.1
197.12964	7.6
199.07167	3.9
201.06937	22.5
201.08667	1.9
202.05327	4.2
210.03966	3.0
215.13905	46.2
215.15907	2.6
217.08182	22.6
219.07994	19.2
229.06271	1.4
233.14958	77.8
234.15311	3.0
243.13452	4.5
247.07486	54.0
248.07869	2.4
271.11008	1.6
284.16016	4.1
287.10352	7.7
299.10321	2.5
302.11908	1.8
302.82074	1.5
312.15601	1.5
317.11328	7.5
317.14807	2.4
320.12650	1.6
330.11182	8.2
330.16522	28.3
348.12256	27.8
348.17654	4.7
415.20142	3.4
443.19586	5.8
461.15063	1.9
461.20578	9.0
462.20270	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61724	0.6
67.05502	0.8
69.87280	1.2
69.87663	1.1
79.05495	0.9
81.07062	0.9
84.08133	0.7
91.05483	1.2
93.07056	0.6
98.23329	0.8
100.11220	0.7
103.05449	1.5
105.07032	0.9
106.06538	1.7
107.07321	1.1
107.08578	0.6
108.08120	2.6
111.04466	1.5
118.04169	0.6
119.08614	0.6
120.08099	2.8
121.06503	0.6
122.09673	0.9
131.04961	0.9
131.07262	1.3
132.08087	2.7
133.08856	1.1
134.09625	1.2
136.07591	1.8
137.05978	1.5
137.09615	0.6
144.08046	5.3
145.08839	2.1
146.09644	3.9
147.04485	0.7
151.72212	0.5
153.05447	0.6
158.09659	2.4
161.05962	1.0
164.07010	0.7
165.05385	0.8
165.09131	2.3
166.08623	12.1
167.07062	5.1
167.09341	1.2
172.37329	0.6
189.05550	0.9
190.08626	7.8
191.07016	6.2
203.09349	0.8
208.07646	0.9
208.11179	1.3
210.14937	0.7
213.02078	0.6
219.10361	0.6
222.09186	1.7
223.09888	2.9
226.08661	0.8
235.10031	0.8
236.10773	2.5
237.11447	1.9
238.12219	1.6
240.10199	1.5
250.08566	1.5
250.12190	0.7
251.09367	1.6
252.10187	2.5
252.13939	0.8
254.08115	1.4
254.11761	1.3
264.10132	2.1
265.11050	2.1
266.11722	4.1
266.15619	0.6
267.08853	1.1
267.12619	1.3
268.09717	4.2
268.12790	0.7
269.10477	1.8
270.11276	0.7
278.11584	0.6
280.09579	0.6
280.13290	0.8
281.10605	0.9
282.11258	5.5
282.42664	0.6
283.11923	4.3
284.09641	0.7
284.12823	12.5
285.13281	0.8
289.15506	3.6
296.12811	2.7
297.13644	2.1
298.14371	12.7
299.14941	0.8
310.10504	0.8
312.15936	2.2
324.12244	1.3
326.09946	0.7
326.13992	0.7
327.11194	1.1
341.12585	1.6
342.13400	8.8
343.13889	0.9
356.14932	41.9
357.15698	100.0
358.15982	6.9
393.18915	0.6
435.20169	3.2
470.36667	0.6
479.20297	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	479.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13271	6.8
53.06490	7.2
56.93332	8.6
60.80735	7.2
62.98251	15.1
67.05490	16.8
69.02989	8.1
69.03289	72.8
69.07072	24.6
79.05498	20.5
81.07050	32.4
83.08607	8.3
91.05515	18.6
93.07068	23.8
95.08609	36.0
97.06513	9.3
105.07039	31.2
107.08598	38.9
109.10159	26.0
117.07077	11.2
119.08620	39.3
121.06525	8.3
121.10155	33.3
123.11697	17.9
133.10114	23.1
135.08043	10.7
135.11708	9.0
143.08685	9.8
145.10132	29.3
147.11725	16.9
151.11264	9.3
155.08551	9.5
157.10242	10.5
159.11649	18.2
169.10036	7.4
169.92316	8.4
171.11803	9.6
173.09663	14.2
173.13319	11.1
175.11363	10.7
175.14963	9.4
183.11668	9.8
185.13303	10.9
189.16422	10.8
199.14835	10.3
209.56682	6.9
213.12697	7.9
229.12294	8.2
317.17902	15.4
329.56610	9.0
419.25034	9.6
479.26355	100.0
479.32797	29.4
480.26920	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	479.2619
Annotation	Pharboside G
Peak:m/z	Relative Intensity
54.84400	0.9
57.99764	0.7
79.05499	1.5
81.07063	1.7
91.05452	1.2
91.87815	0.8
93.07062	1.5
95.08619	2.7
105.07029	2.1
107.08590	2.5
109.10166	2.5
119.08596	1.8
119.63646	0.8
119.64481	0.8
121.10193	1.7
123.08099	1.1
133.10155	1.4
135.11699	1.2
183.11569	1.2
185.04216	7.5
201.08986	0.8
231.17754	1.0
299.19827	13.3
317.20877	90.4
318.21371	4.9
335.20764	1.1
479.26160	100.0
480.26456	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	479.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85332	0.4
67.05516	0.5
69.07080	0.6
69.31799	2.8
81.07056	0.9
89.06006	0.5
91.05503	0.6
93.07033	0.4
95.08610	0.6
98.23327	0.8
105.07043	0.7
107.08585	0.8
107.86127	0.4
109.10175	0.9
119.08588	0.7
121.10172	0.9
130.86580	0.4
131.08624	0.5
135.11662	0.5
146.89763	0.5
147.08081	0.6
149.13365	0.4
159.11613	0.5
189.16330	0.6
215.14380	0.7
420.36285	0.7
479.34988	100.0
480.35223	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	479.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.7
57.07072	7.9
58.64201	1.9
64.45861	1.7
65.03965	2.6
67.05507	16.0
69.07066	17.5
71.08620	2.4
71.69644	1.6
79.05505	9.8
81.07066	27.3
83.08621	5.9
85.06537	2.7
91.05479	12.7
91.80740	2.1
93.07050	25.9
95.08612	78.4
98.23369	4.1
105.07014	11.5
107.04980	2.4
107.08606	38.2
109.06538	3.7
109.10168	34.3
111.11740	2.7
115.05413	2.0
117.07047	3.5
119.08585	28.6
121.06512	43.8
121.10139	33.6
123.08076	16.8
123.11698	7.7
129.07033	2.6
131.08580	7.6
133.06490	4.8
133.10143	11.3
135.08067	8.1
135.11699	10.1
137.09619	3.9
137.13263	7.8
143.08545	4.8
145.10136	14.4
147.08051	22.1
147.11710	5.6
149.09624	6.3
149.13284	7.1
151.14816	44.1
155.08514	3.2
157.10101	8.2
159.08061	18.5
159.11697	8.5
161.09616	15.5
161.13293	3.9
163.14827	11.3
167.14343	2.1
169.10164	4.9
171.11714	8.3
173.09619	11.7
173.13274	6.9
175.11209	7.1
175.14819	4.0
177.16389	75.0
178.16747	2.2
183.11707	5.4
185.09750	1.8
185.13264	3.9
187.11200	10.6
187.14836	8.3
189.12773	3.9
189.16423	5.1
191.17938	6.3
193.10059	1.7
195.11702	4.3
197.13254	3.1
199.14856	4.7
200.11975	1.9
201.12820	10.2
201.16414	7.1
203.14243	1.8
209.13223	4.2
211.14845	6.2
213.12790	2.0
213.16382	4.8
215.14491	2.5
215.17996	4.2
217.80949	1.9
223.14780	2.6
225.16434	4.1
227.17992	2.7
229.15884	26.7
230.16162	1.8
237.16335	2.6
239.17941	2.9
241.19562	3.1
243.17477	38.9
247.17023	2.3
255.17474	3.5
257.19037	2.6
265.19525	3.4
269.18997	4.2
273.19177	1.9
279.21027	11.0
283.20428	5.2
295.20480	2.1
297.04486	1.8
303.19556	21.0
304.19965	2.0
305.22369	1.9
315.19574	2.3
329.21072	11.2
339.23203	6.2
343.22394	2.0
355.22690	3.0
369.24121	2.5
401.32040	10.3
419.33261	9.5
461.34335	20.7
462.33743	2.0
479.35901	100.0
480.35358	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	479.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22400	0.5
51.61699	0.5
53.03944	0.8
55.05516	3.3
57.07054	1.1
65.03912	0.5
67.05518	4.7
69.01707	0.9
69.02045	4.7
69.03414	1.0
69.06731	0.5
69.07067	6.6
71.08621	0.4
79.05498	4.1
80.09848	0.5
81.07064	10.5
83.08597	2.4
84.65235	0.4
89.05928	0.5
91.05061	0.4
91.05487	5.3
93.07053	9.4
95.04934	1.1
95.08610	12.1
95.68899	0.5
97.10166	0.7
98.22622	1.0
99.65867	0.5
105.06382	0.8
105.07034	10.6
107.08597	14.9
109.06524	0.9
109.09456	0.6
109.10161	8.8
115.05392	0.6
117.06989	2.1
119.08588	16.1
121.06506	3.3
121.10145	8.8
123.08054	1.4
123.11716	3.3
128.06218	0.7
129.06972	1.6
131.08582	6.1
133.09206	0.8
133.10129	10.7
135.08060	4.6
135.11705	7.7
137.09677	0.7
137.13234	1.3
141.07005	1.1
142.07793	1.7
143.08563	6.1
144.09322	0.8
145.06497	0.9
145.10120	13.4
147.07886	1.2
147.11694	6.9
149.09583	1.4
149.13219	1.8
155.08545	1.8
156.09296	1.7
157.10115	7.5
158.10921	0.9
159.08055	2.0
159.11702	7.1
161.09645	4.3
161.13263	4.4
163.14851	1.2
168.09322	0.8
169.10165	3.6
170.10875	1.2
171.11687	5.8
172.12309	0.7
173.09616	4.4
173.13261	5.1
175.11188	1.6
175.14864	2.8
176.11984	0.9
177.16394	1.7
181.10094	1.4
182.10887	1.0
183.11728	3.6
185.09677	1.0
185.13261	4.6
187.11188	12.3
187.14822	7.3
188.15302	0.6
189.16393	14.8
193.15907	2.0
195.11684	1.9
196.12477	1.1
197.13287	3.1
199.11220	2.0
199.14832	5.6
200.11986	0.6
201.12732	2.2
201.16426	3.2
203.14346	0.6
203.18013	2.2
207.11807	0.6
209.13254	2.0
211.14838	4.4
213.12799	2.7
213.16389	2.8
214.13451	1.1
215.14339	2.5
215.17859	0.7
216.15007	0.7
217.15910	2.7
221.13379	0.8
223.14803	1.2
225.12971	0.6
227.14302	2.5
227.17995	1.3
228.15042	1.2
229.15887	64.0
230.16254	3.9
231.17445	24.2
232.17770	1.1
237.16354	0.7
241.15872	1.1
243.17448	16.4
244.17896	0.6
251.18068	1.0
253.15887	0.9
253.19336	0.7
255.17357	1.1
255.21086	1.3
257.19022	9.0
263.18137	0.6
265.19553	0.9
267.17392	0.7
268.18234	0.8
269.19067	3.8
271.20508	0.6
272.20746	0.5
281.19012	1.3
283.20569	14.5
284.21094	0.9
285.22144	1.5
295.20844	0.8
297.22119	2.5
309.22412	0.6
309.25638	1.1
323.06146	0.5
323.24017	0.9
327.20093	0.7
335.24030	0.9
337.25418	0.7
350.06003	0.5
361.28851	0.6
401.32138	2.1
419.33112	13.5
420.33636	1.1
437.34418	0.8
461.34128	2.6
479.35233	100.0
480.35580	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	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.1
57.07080	75.5
58.07406	3.2
58.90580	2.8
67.05505	7.2
69.07075	13.8
71.05000	16.0
71.08636	68.8
77.01325	2.8
79.05495	5.0
79.26877	2.8
81.07043	11.7
83.08632	6.4
85.10182	42.4
89.06040	44.0
91.05483	5.4
93.07051	8.9
95.08619	10.6
97.10174	5.4
99.11710	6.9
105.07032	5.6
107.08561	9.4
107.50604	2.8
109.10149	6.8
113.13226	4.0
119.08622	5.6
121.06403	3.1
121.10150	5.4
125.06012	58.5
125.13322	3.0
130.32298	2.7
135.08043	7.0
135.11734	3.7
137.06035	4.4
139.07584	5.8
141.05455	4.1
141.16420	3.3
149.06091	5.2
149.13289	3.6
151.07552	32.1
153.05476	100.0
159.11729	5.4
163.07542	15.4
163.11258	4.1
165.09116	30.1
167.07095	5.8
173.09673	3.9
177.09106	15.3
179.10666	9.5
181.08661	5.8
183.06537	7.9
187.11115	3.4
191.10626	11.0
193.12271	4.3
195.10197	7.4
201.12775	4.2
207.13777	5.8
209.11696	6.5
215.14508	3.5
219.13974	6.8
223.13370	5.5
229.15787	4.3
233.15262	3.9
237.14735	7.8
247.17091	4.9
251.16507	5.0
261.18579	4.7
265.18051	9.1
279.19516	10.4
289.21579	3.6
293.21033	3.5
307.22815	4.5
321.24228	3.3
335.73596	3.6
419.35223	49.6
420.35645	5.2
479.35013	48.7
480.35028	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04050	1.4
55.05519	16.7
57.07083	80.9
63.42608	1.4
67.05508	8.6
69.03423	2.5
69.07073	36.9
71.04981	1.7
71.08238	3.7
71.08639	73.6
74.56303	1.4
79.05503	13.1
81.07066	37.8
83.04989	10.4
83.08630	23.8
85.06551	3.5
85.10192	44.9
87.04476	2.5
91.05495	4.1
93.07053	25.1
95.08614	28.7
97.06545	7.1
97.10186	15.4
98.23415	3.9
98.94542	1.6
99.08108	4.5
99.11731	8.0
101.06026	35.9
105.07068	1.5
107.08595	30.2
107.09285	2.3
109.06510	10.0
109.10167	17.1
111.04417	3.9
111.08082	9.1
111.11737	10.7
113.09669	4.0
113.13314	4.1
115.07571	6.0
121.06503	1.6
121.10141	19.9
122.09250	1.7
123.11731	9.3
125.06025	7.2
125.09647	4.0
125.13266	3.9
127.07567	91.6
127.14883	5.2
128.07877	1.9
129.05490	100.0
129.09166	2.6
135.11723	16.4
137.13278	5.4
139.07555	7.3
139.11176	2.6
139.14891	2.5
141.16335	2.4
143.07059	8.8
149.09651	3.2
149.13264	14.0
153.09126	5.4
153.12752	5.8
153.16473	1.5
157.08649	5.9
163.11160	2.9
163.14793	13.9
167.10684	3.0
167.14337	7.4
169.15961	1.9
171.10246	3.9
177.16383	12.0
179.17946	3.0
181.12332	3.1
181.15913	6.2
185.11766	2.9
191.14334	2.9
191.17978	6.0
195.17482	7.1
199.13348	4.0
205.16020	2.2
205.19557	5.1
209.15335	2.4
209.19096	4.6
213.14870	3.5
219.17581	2.0
219.21094	4.7
223.17017	2.1
223.20572	3.8
225.21994	1.5
227.16457	4.6
229.21127	1.5
233.22661	4.4
237.18631	1.7
237.22220	4.2
241.18175	2.9
247.20731	1.9
251.20337	2.4
251.23524	1.8
255.19748	2.1
265.21732	1.6
265.25394	1.6
282.56534	1.5
289.28955	11.4
307.29999	12.9
308.25180	1.6
317.28510	4.7
335.29599	1.9
353.30743	1.6
419.34595	1.7
432.78900	1.6
464.58679	1.5
471.82233	1.5
479.35178	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	480.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01865	2.3
57.03442	6.1
61.02925	8.6
69.03431	15.7
69.22786	2.6
69.23207	2.8
70.06564	1.1
71.05003	1.9
72.08141	1.8
73.02911	4.2
81.03414	6.7
84.04512	1.2
84.08142	2.6
85.02907	100.0
86.03223	1.7
86.09711	2.3
87.04455	2.2
91.03957	5.9
91.05495	1.8
93.07074	1.9
93.98294	0.6
95.04981	0.9
97.02900	25.1
97.25677	0.7
98.23421	0.8
99.04434	3.5
103.03979	1.8
103.05477	1.0
103.10106	0.7
109.02883	8.5
109.96177	0.8
115.03946	1.3
119.04955	0.8
120.08125	2.2
121.02078	0.7
121.02869	2.6
121.06512	30.3
124.07625	0.8
127.03921	25.0
129.10234	0.7
136.07613	1.5
138.05486	1.0
139.03966	0.7
141.06992	0.8
145.04962	40.7
147.04283	0.7
151.07564	1.7
155.07265	0.8
157.06487	1.2
159.08061	2.6
163.03961	0.9
163.06023	14.8
163.07346	0.8
165.05527	1.1
175.07547	2.1
179.07071	2.1
185.09857	1.5
187.07521	11.9
205.08635	7.9
217.08615	1.0
229.08540	4.7
235.09622	1.7
247.09628	4.4
265.10718	3.8
319.12906	1.4
436.97131	0.8
437.14349	1.6
480.21628	4.2
481.12671	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	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
56.05032	1.5
57.03439	0.6
57.07076	0.5
57.70801	0.3
58.06607	1.6
60.08167	18.4
67.05496	1.9
69.07063	1.3
70.06602	0.8
70.38319	0.3
71.07375	7.7
71.31966	0.4
79.05497	1.9
81.07062	1.6
83.08629	1.0
86.09707	52.8
87.10046	0.8
88.07632	0.5
93.07043	1.9
95.08630	0.9
97.06538	1.4
97.10140	0.6
98.98468	4.5
104.10744	99.4
105.11088	1.6
106.79247	0.4
107.08597	1.1
110.02312	0.4
121.10159	1.0
124.66486	0.4
125.00004	33.3
129.05479	0.6
135.11723	0.8
136.99930	0.3
163.03899	0.6
181.02686	0.6
184.07347	100.0
185.07666	1.9
198.73466	0.4
258.11032	0.7
290.32114	0.4
297.24231	1.3
432.90118	0.4
462.23459	0.7
462.29810	8.1
463.30353	1.3
480.30826	18.4
481.23160	0.7
481.31198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96598	2.4
57.07923	2.3
57.82967	2.2
67.53020	2.2
68.46812	2.3
69.03454	3.6
70.06582	2.6
71.31604	3.9
79.05508	2.9
81.07024	2.6
90.82655	2.3
91.05489	3.5
93.07070	3.4
95.08620	3.3
98.97584	7.8
107.08652	3.8
110.97604	3.6
114.09159	6.2
116.98594	3.1
119.08604	5.6
131.08591	5.0
137.05972	20.0
143.08614	2.7
145.10150	2.4
146.99742	2.6
157.10118	3.1
159.11649	3.7
167.07033	3.3
168.53777	2.5
169.01526	2.6
183.91200	2.7
187.14865	3.3
219.01767	3.3
233.15427	5.0
237.02769	7.8
254.04564	4.2
311.08014	4.0
395.10178	4.6
399.93274	3.1
413.11255	4.3
435.28870	3.1
437.12183	18.6
437.20901	7.2
481.11050	100.0
481.19986	15.5
481.30084	3.5
482.11157	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	481.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67785	0.6
69.06145	1.0
69.06544	3.5
81.62531	0.6
98.22537	1.0
156.11307	0.5
161.05981	1.4
163.77853	0.6
184.04976	4.7
185.04178	1.2
185.05727	2.0
212.37396	0.7
215.06792	24.7
216.07237	0.9
217.04678	0.7
227.05257	3.6
232.07060	10.2
233.07837	11.0
251.09067	0.7
271.04260	5.6
305.56430	0.6
395.13113	5.9
437.14191	43.7
438.14352	3.1
479.29373	0.8
481.13165	100.0
482.13516	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	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29525	5.1
70.06566	1.0
70.19844	0.8
72.08160	1.3
84.04462	1.0
84.08140	1.3
86.09707	2.3
101.37126	0.8
120.08118	3.0
137.05946	0.9
151.07556	1.8
175.37643	0.8
184.04944	2.2
193.14627	0.9
204.24458	0.8
215.06787	12.7
217.04778	2.0
219.68993	0.9
227.05261	2.8
232.07077	11.7
233.07851	9.8
271.04257	5.4
325.57248	0.9
395.13251	6.7
419.13400	1.2
437.14185	43.5
438.14447	2.9
481.13174	100.0
482.13388	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	481.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05484	1.9
57.07050	0.6
57.68346	0.4
59.04967	1.5
63.58025	0.4
67.05473	1.9
69.03387	1.7
69.07058	2.3
69.21159	3.3
71.04987	0.5
79.05503	2.9
81.03390	1.0
81.07050	2.7
83.04940	0.6
85.02864	1.9
85.06512	0.6
91.05485	2.6
91.73799	0.5
93.07043	3.7
95.04919	0.5
95.08614	4.2
97.02875	0.8
98.05251	0.5
98.22608	0.7
100.11238	0.7
105.01839	0.5
105.04456	0.5
105.05472	0.7
105.07040	4.1
107.08603	4.9
109.02878	1.1
109.06499	0.4
109.10115	1.2
111.11676	0.8
113.63648	0.5
117.07003	0.6
119.08578	5.0
120.41051	0.4
121.06478	0.4
121.10125	2.0
123.11687	0.6
127.03948	0.9
129.12700	1.7
131.08553	1.2
133.10132	5.6
135.11732	2.4
137.05959	1.5
137.09508	0.7
143.08543	0.7
145.10094	1.5
147.11693	1.3
149.13206	0.8
157.10101	1.1
159.11757	0.9
167.03021	0.6
173.13196	0.8
175.14751	1.1
185.04156	0.6
187.14832	0.6
203.05287	2.4
210.14650	0.4
215.10643	1.6
215.14104	0.6
217.12108	0.5
227.05206	1.0
233.11540	0.7
233.15150	0.8
245.06322	6.6
271.04330	1.1
289.05289	100.0
290.05655	2.9
437.21402	5.9
463.19357	3.3
464.20874	0.4
481.20407	61.9
482.20636	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	481.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01888	0.5
55.05507	1.2
60.17762	0.5
60.51777	0.5
67.05503	1.4
69.03432	1.5
69.07069	1.3
69.12354	1.2
69.12767	3.0
79.05502	2.1
81.03438	1.1
81.07076	2.1
83.04955	0.5
85.02924	1.1
91.05496	2.0
93.07048	2.0
95.04986	1.0
95.08615	2.7
97.02876	0.8
105.06385	0.5
105.07038	1.9
107.04910	0.5
107.08582	2.5
109.02893	0.8
109.10147	1.2
114.60137	0.6
117.07039	1.0
119.08573	3.0
121.06530	0.9
121.10141	1.7
123.11736	0.6
125.09624	0.6
127.03934	1.0
131.08597	1.8
133.10141	1.1
135.11693	0.7
137.05968	0.6
143.08606	1.0
145.10135	5.9
147.08118	0.9
147.11780	0.5
151.07622	0.5
155.08580	0.6
157.10147	0.8
159.11752	1.4
161.09772	0.6
161.13274	0.5
163.11188	0.5
169.10075	0.6
171.11655	1.1
173.09654	0.9
173.13319	0.9
175.14880	0.5
185.04247	0.8
187.14867	3.4
189.12816	0.7
196.24239	0.5
199.14900	0.5
201.16318	0.5
203.14429	1.6
213.16524	0.5
215.14357	1.0
233.15170	9.1
233.18794	0.5
271.04269	3.4
275.16135	1.0
377.19507	1.4
395.20450	9.4
417.27869	0.8
419.20419	1.8
419.25406	0.6
435.29004	1.0
437.21472	35.9
438.21863	2.3
470.53424	0.5
481.20471	100.0
482.20779	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	481.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.2
55.01880	2.0
55.05512	15.7
57.03440	10.8
57.07085	11.4
59.05008	5.0
60.47440	1.8
61.02948	2.0
67.05503	17.4
68.71538	1.7
69.03436	9.5
69.07070	33.1
69.07421	2.9
69.21860	10.8
71.05004	4.5
77.24449	2.0
79.05486	3.0
81.03413	9.6
81.07061	8.0
83.08619	8.1
85.02916	19.0
85.06539	2.4
87.00829	9.1
87.04491	3.7
89.05997	3.5
91.05476	2.1
93.07065	6.3
95.05019	1.7
95.08618	5.6
97.02905	8.4
97.10181	31.2
97.10775	3.0
98.22662	3.4
99.04491	3.9
105.01891	10.9
105.07053	6.7
107.08624	4.7
109.02903	7.0
109.10163	44.9
111.11768	4.5
115.11218	19.5
119.08526	3.6
121.10172	2.3
127.03915	12.0
127.11198	100.0
128.11581	2.3
129.07080	2.4
129.12782	5.1
133.10143	2.8
137.06046	3.5
145.04874	3.3
145.10208	3.8
145.12251	12.7
157.10092	2.5
159.02928	3.2
159.11665	2.3
161.13350	2.6
182.15363	1.6
183.60239	1.7
215.16417	2.6
231.04985	5.0
233.15439	2.4
233.17528	7.1
254.47850	1.7
276.96652	1.6
335.24991	2.0
481.20169	2.8
482.23932	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	481.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24090	1.7
51.35727	1.8
53.03942	3.9
54.80981	1.7
55.01886	2.1
55.05515	15.6
57.03442	10.5
57.07082	12.5
59.04991	4.0
61.49429	1.7
67.05512	15.6
69.03432	9.7
69.07066	27.7
69.18575	6.3
69.18994	10.1
71.04980	5.7
79.05506	3.6
81.03432	6.7
81.07056	7.1
83.08610	6.6
85.02901	19.7
87.00827	12.7
89.06013	1.9
91.05489	3.3
93.07036	5.3
95.04982	2.0
95.08626	5.4
97.02892	5.8
97.10176	31.3
98.03264	1.7
99.04462	3.3
105.01863	10.8
105.07045	4.8
107.08601	4.5
109.02869	7.7
109.06598	2.0
109.10159	49.3
111.11747	2.5
115.11215	18.6
119.08599	3.6
121.06516	2.9
127.03923	11.4
127.11198	100.0
129.12752	5.4
131.08562	4.1
133.10153	3.1
137.05986	3.2
143.08577	2.5
145.05002	6.2
145.10147	3.4
145.12234	13.5
147.11662	2.6
157.10158	2.4
159.11737	3.7
161.13269	2.6
198.15747	2.8
215.16420	3.3
231.05035	4.8
233.17505	7.8
241.73213	1.9
258.13391	2.1
290.54208	1.9
305.63565	2.1
481.29929	3.2
482.23700	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	481.2777
Annotation	Glucosilsteviol
Peak:m/z	Relative Intensity
55.05515	2.5
67.05491	2.9
69.07057	1.5
69.59795	2.5
69.60098	7.8
81.07043	3.6
91.05500	2.0
91.28558	1.3
93.02640	1.4
93.07062	4.6
95.08617	4.5
105.07010	3.7
107.08579	3.3
109.06527	1.9
109.10195	3.0
119.08592	4.5
121.10142	4.2
131.08568	1.5
133.10162	3.1
135.11684	2.5
142.07791	1.7
143.08582	3.2
147.11671	2.3
157.10092	2.0
159.11798	2.4
161.09686	1.8
161.13306	2.3
163.11212	1.7
173.09567	2.1
185.04214	17.7
185.13367	1.8
187.11230	1.8
187.14804	1.8
226.44881	1.3
301.21347	11.9
319.22427	70.4
320.22775	5.2
375.21478	1.4
398.55319	1.4
421.27637	1.7
463.28085	2.4
481.27783	100.0
482.28156	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	481.2948
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03943	5.6
55.01871	3.6
55.05512	11.7
57.07069	3.1
65.03938	4.7
67.05507	22.3
69.03427	6.3
69.07071	16.6
71.04997	2.7
79.05492	25.1
81.03416	3.7
81.07057	32.3
83.04989	5.2
83.08604	5.4
85.02901	3.2
91.05482	39.2
93.03376	2.2
93.07053	39.2
95.04980	4.7
95.08607	45.5
97.06504	3.3
97.10206	4.3
103.05476	3.0
105.07034	68.2
106.07396	2.6
107.04993	5.1
107.08595	56.5
109.06541	9.2
109.10162	18.1
109.35951	1.7
111.08098	2.4
115.05437	2.9
116.06247	4.7
117.07017	18.1
119.08584	90.8
119.09445	4.4
121.06493	15.5
121.10159	29.6
123.08096	4.7
123.11755	6.8
127.03932	9.3
127.05387	2.2
128.06197	13.0
129.07014	16.8
130.07805	6.0
131.08572	61.1
133.06500	4.3
133.10141	43.8
135.08061	14.4
135.11699	12.3
137.05977	19.3
137.09596	5.2
139.07549	2.3
141.07011	7.2
142.07748	13.4
143.08560	42.9
144.09425	4.3
145.06476	6.2
145.10121	83.3
146.10579	3.4
147.08060	17.4
147.11679	20.5
149.06012	4.9
149.09621	3.6
149.13277	9.0
151.07498	3.6
153.06964	2.6
153.09029	2.1
154.07761	2.1
155.07104	4.2
155.08574	20.8
156.09314	7.4
157.10117	37.8
158.10898	5.8
159.08051	11.0
159.11693	35.0
161.09653	20.7
161.13228	21.0
163.07516	5.1
163.11165	4.2
163.14853	6.7
165.07019	3.8
165.09157	2.3
167.07224	2.2
167.08585	7.3
168.09364	6.5
169.10147	22.9
170.10942	6.6
171.08098	6.9
171.11697	32.2
172.12367	4.3
173.09633	6.9
173.13264	27.4
175.07600	4.1
175.11217	9.0
175.14824	22.4
177.09164	4.8
177.12799	7.8
177.16396	3.7
179.08601	4.4
181.10104	10.2
182.10941	7.9
183.08067	3.0
183.11694	30.6
185.09669	6.2
185.13251	29.8
187.11243	8.8
187.14822	100.0
188.15121	4.0
189.09109	3.3
189.12708	17.7
189.16382	13.8
191.14354	8.6
193.10139	4.0
194.02747	2.6
194.10968	3.0
195.11697	12.5
196.12381	3.2
197.09592	3.6
197.13286	17.1
199.11243	6.3
199.14851	26.2
201.09053	2.6
201.12695	11.3
201.16409	29.3
203.10698	3.4
203.14326	59.2
203.17938	5.3
205.12193	2.5
205.15924	7.0
207.11763	4.7
207.13766	2.2
209.13284	11.9
211.11203	5.7
211.14835	8.5
213.12770	6.1
213.16371	19.6
215.10764	2.5
215.14336	14.1
215.18028	3.5
217.12259	10.4
217.15805	12.3
219.13870	5.8
221.13216	5.9
223.14862	7.6
225.12813	6.3
225.16451	9.3
227.10635	2.9
227.14378	7.9
227.17972	7.9
229.12332	7.7
229.15767	10.2
229.19434	2.5
231.13855	12.5
231.17416	4.7
233.15395	11.3
235.15010	3.7
237.12711	2.8
237.16422	7.9
239.14346	3.9
239.17941	9.2
241.15811	4.6
243.13939	11.9
243.17393	3.2
245.15359	9.8
247.16980	3.1
249.16498	3.6
251.17995	8.3
253.15854	3.1
253.19585	3.3
255.13773	2.4
255.21097	3.5
259.17017	2.6
261.14740	3.5
263.17957	3.1
265.19586	4.5
267.17450	3.8
267.21185	4.1
269.19083	3.1
275.17966	2.5
277.19476	3.3
279.17511	3.2
279.21173	5.5
281.22623	2.6
285.18582	2.3
291.21164	4.6
295.17062	2.5
303.20932	2.3
305.19067	4.1
307.11005	2.4
307.24188	5.7
309.18579	2.6
333.22183	2.4
335.23703	2.7
361.21274	2.7
371.27554	4.0
373.25049	2.8
389.28433	8.4
391.30078	4.2
399.26703	10.6
405.27750	3.4
407.29660	3.9
417.27905	43.1
418.28207	5.3
419.25787	7.7
419.30228	3.7
427.26334	3.2
435.28949	61.7
436.29233	4.5
437.26086	3.6
437.30951	6.2
445.27530	14.6
446.27966	2.8
451.28635	2.7
453.30206	3.0
463.28397	40.9
464.28610	4.9
481.29492	90.1
482.29730	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	481.2952
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03948	8.0
55.01878	10.8
55.05508	12.6
57.03438	3.2
61.02931	1.8
63.76681	1.5
65.03937	4.4
66.90517	1.5
67.05506	27.5
69.03433	16.1
69.07065	20.3
71.04986	4.0
71.08634	2.2
73.02905	1.6
77.03914	2.9
79.05497	28.6
81.03430	9.3
81.07060	38.4
83.04992	5.5
83.08618	6.0
85.02915	18.2
85.06541	2.3
86.18356	1.6
87.00832	8.2
91.01846	12.7
91.05485	46.4
92.46466	1.5
93.07053	46.7
95.04976	9.0
95.08611	56.2
97.02907	8.5
97.06533	3.5
97.10187	2.5
98.22634	4.1
99.04483	3.3
99.08091	1.8
103.05473	5.1
105.01871	7.9
105.04546	2.9
105.07039	74.1
105.07751	3.7
106.07368	2.2
107.04968	3.9
107.08600	57.0
108.08958	2.0
109.02894	7.3
109.06528	10.6
109.10164	19.4
111.00853	2.1
111.04511	1.7
111.08090	3.0
115.05434	9.0
116.06228	3.4
117.07032	24.4
119.04961	2.8
119.08584	95.4
120.08891	3.3
121.06522	16.1
121.10157	32.4
123.08092	4.5
123.11704	7.3
125.02354	1.6
125.06039	4.0
127.03925	24.6
127.97207	1.5
128.06229	16.3
129.07024	20.4
130.07796	6.7
131.04948	2.1
131.08575	63.2
132.08957	1.8
133.06459	5.8
133.10149	37.3
135.08070	15.5
135.11700	13.5
137.05975	9.1
137.09598	7.8
137.13255	2.2
139.07524	3.9
141.07004	9.8
142.07791	13.8
143.08569	40.6
143.09642	2.4
144.09314	5.1
145.04964	4.7
145.06516	5.3
145.10135	81.0
146.10553	4.8
147.08060	23.0
147.11699	28.2
148.59401	1.7
149.06032	2.6
149.09669	7.2
149.13266	7.5
151.07608	3.3
152.06187	1.7
153.01860	4.7
153.06979	2.7
154.07782	2.8
155.07053	4.7
155.08569	23.4
156.09354	11.6
157.06461	1.8
157.10139	39.3
158.10835	4.8
159.02864	2.6
159.08041	15.0
159.11702	42.4
161.05997	2.8
161.09630	15.9
161.13263	16.2
163.07629	4.0
163.11195	5.6
163.14923	7.8
165.07034	6.3
165.09158	3.8
166.07803	2.7
167.08566	7.4
168.09445	8.4
169.10156	26.8
170.10889	5.6
171.02934	2.7
171.08084	7.5
171.11694	32.5
172.08813	2.0
172.12334	3.7
173.05998	1.5
173.09627	10.4
173.13263	36.4
175.07657	3.1
175.11186	5.9
175.14819	23.4
177.09152	5.0
177.12753	7.4
177.16388	5.0
179.08597	6.3
179.10667	1.9
179.14293	2.1
181.10126	9.3
182.10966	4.8
183.08151	2.4
183.11694	27.5
184.12332	1.9
185.09654	6.4
185.13263	26.2
187.11281	8.3
187.14828	100.0
188.15248	4.1
189.09090	2.5
189.12744	16.8
189.16359	11.5
191.10655	3.5
191.14394	5.9
192.09283	2.5
193.10143	3.7
194.10916	2.1
195.08075	2.4
195.11740	12.3
196.12444	2.8
197.09641	3.9
197.13263	20.2
199.11177	9.6
199.14825	27.7
200.15338	2.0
201.09125	2.1
201.12753	7.9
201.16418	29.4
203.10728	2.4
203.14317	47.2
203.17958	4.7
204.14658	2.7
205.12271	4.7
205.15912	8.0
206.10989	2.1
207.11746	5.6
207.13791	2.5
208.12460	2.7
209.09639	2.6
209.13284	10.0
211.11185	5.7
211.14908	9.3
213.09090	2.5
213.12726	9.2
213.16356	15.7
215.10728	5.0
215.14294	16.0
215.17987	4.8
216.14734	1.8
217.12308	11.2
217.15825	10.7
219.11885	2.7
219.13879	6.8
219.17392	2.2
221.13287	5.1
221.15193	3.1
223.11259	2.3
223.14891	8.5
224.15663	2.5
225.12819	4.8
225.16396	13.1
227.10777	2.1
227.14365	7.4
227.18010	7.3
229.12311	9.0
229.15868	13.2
229.19536	2.0
231.05057	3.6
231.11906	2.1
231.13818	11.2
231.17558	3.8
233.15240	8.2
235.15077	3.3
237.16429	7.2
239.17969	10.4
241.15906	3.9
241.19565	6.2
243.13791	12.0
243.17473	3.0
245.15433	9.0
247.17058	3.9
249.16493	4.5
251.18010	5.6
253.16022	2.8
253.19569	5.3
255.13890	3.4
255.17477	3.4
255.21214	3.0
257.19177	2.0
261.14978	6.2
263.17966	3.5
265.15814	2.1
265.19559	2.4
267.17639	2.5
267.21030	2.4
269.19055	3.0
273.18661	2.1
275.20285	3.4
277.19510	4.6
279.17661	2.4
279.21140	4.4
283.20801	2.1
289.15918	2.4
289.19424	3.7
293.19226	2.1
295.20889	2.3
297.04001	4.7
307.20557	2.7
317.22906	2.3
321.18701	1.9
321.22272	2.2
321.25952	2.0
327.20221	2.0
333.22125	2.1
335.23645	3.1
347.20032	2.1
352.23785	2.2
371.27353	4.1
373.29153	3.3
389.28629	8.2
391.30243	3.6
399.26907	10.3
401.24249	2.3
405.27835	2.9
407.29742	3.3
417.27936	32.6
418.28098	3.2
419.25616	5.8
419.29694	6.8
427.26254	3.7
435.28973	53.9
436.29346	3.4
437.26050	3.1
437.31229	3.1
445.27432	15.2
446.27667	2.4
451.28479	2.7
453.30023	4.5
463.28488	38.1
463.34232	1.5
464.28619	4.0
481.20618	7.1
481.29544	80.5
482.23483	8.2
482.30103	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	481.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
53.82353	3.5
55.01873	5.8
55.05521	23.1
57.07073	5.2
57.29972	3.9
65.03948	6.6
67.05508	48.0
67.55969	3.3
68.34966	3.1
69.03024	28.4
69.03439	7.6
69.07069	22.8
71.04993	6.2
77.04338	3.6
79.05487	25.4
81.07063	57.0
83.04974	23.9
83.08634	11.2
85.06544	10.2
89.56466	3.7
91.05479	41.0
93.07039	49.6
95.04968	13.9
95.08617	86.7
95.09232	4.7
97.06537	10.1
103.05418	4.8
105.07030	61.4
106.07320	4.2
107.08596	61.9
109.06541	19.9
109.10175	38.7
111.04478	9.1
111.08067	15.4
115.05482	4.9
117.07004	17.6
119.08592	68.7
120.08913	3.7
121.06538	16.0
121.10145	39.4
123.08080	30.0
123.11720	15.1
125.09622	8.0
127.07539	5.6
128.06201	13.1
129.07048	15.8
130.07784	5.2
131.08595	35.1
133.06529	6.8
133.10143	38.4
135.08060	12.2
135.11700	14.7
137.09631	13.1
137.13245	8.1
139.07578	9.7
141.06966	12.8
141.09148	6.5
142.07785	15.2
143.08546	32.4
144.09283	7.3
145.06493	4.3
145.10124	47.5
147.08057	12.6
147.11688	22.8
149.09676	7.9
149.13277	7.8
151.11162	5.9
153.06979	5.0
153.09206	7.3
155.08575	36.7
156.09262	12.0
157.10139	51.3
159.08072	8.9
159.11713	46.0
161.09641	19.4
161.13281	14.6
163.11172	10.0
163.14873	6.8
165.07031	9.2
166.07753	3.7
167.08534	18.3
167.10683	3.4
168.09390	10.0
169.10136	36.5
170.10887	5.3
171.08078	9.3
171.11676	33.2
173.09650	13.2
173.13278	23.2
175.11177	6.9
175.14867	8.5
177.12900	3.8
177.16487	3.6
178.07747	4.6
179.08554	14.0
179.10759	6.7
180.09319	5.1
181.10132	27.6
182.10927	5.8
183.08098	3.8
183.10274	5.4
183.11705	28.6
184.12408	4.6
185.09598	12.7
185.13248	15.6
187.11171	13.6
187.14827	12.8
189.12776	14.0
189.16417	11.4
191.08638	4.2
192.09404	7.2
193.10114	23.2
194.10870	14.4
195.08046	7.6
195.10019	5.2
195.11687	35.7
196.12236	6.7
197.09631	10.4
197.13280	30.4
199.11182	14.0
199.14761	9.5
201.09108	4.8
201.12772	15.1
201.16466	8.1
203.10777	4.0
205.10156	8.9
205.12073	4.6
206.10921	17.0
207.11694	45.7
207.13701	5.0
208.12503	11.3
209.09625	9.6
209.13252	54.0
210.13841	5.5
211.11206	10.9
211.14842	9.0
213.09074	5.0
213.12737	9.3
213.16409	7.7
215.14278	7.5
217.12292	13.5
217.15955	8.4
219.11684	12.1
219.13768	4.2
220.12442	8.1
221.13264	42.3
222.13817	7.6
223.11349	7.2
223.14796	40.6
225.12749	20.0
225.16380	10.1
227.10739	7.4
227.14290	6.5
227.17976	4.7
229.15802	5.4
231.13763	6.4
232.12505	4.0
233.13237	9.8
233.15385	6.4
235.11183	5.2
235.14848	18.0
236.15472	4.4
237.12668	4.9
237.16391	13.9
239.14305	8.3
239.17976	4.9
243.13841	5.1
247.11337	4.7
247.14873	8.1
249.12839	8.0
249.16476	17.4
251.14368	11.7
251.17921	6.2
253.16019	4.8
253.19536	4.9
255.17560	4.0
257.15549	7.8
261.12717	5.9
261.16422	10.5
262.17191	5.5
263.14398	11.7
263.17984	25.7
264.18323	5.6
265.15945	15.1
265.19025	3.5
267.13800	16.2
267.17416	3.4
269.15384	15.4
273.16385	3.4
275.14038	4.0
276.18668	3.5
277.15897	7.0
277.19324	6.8
279.14111	4.6
281.15402	11.0
283.16992	14.3
285.18448	8.6
285.21823	4.8
291.17389	4.9
295.16953	11.0
297.18390	7.2
299.19971	5.5
305.19046	19.6
305.22189	5.1
309.18475	6.5
323.20013	40.8
324.20410	3.9
331.20395	7.0
341.21085	11.5
345.22089	5.2
349.21597	9.1
363.23218	5.7
364.24014	4.5
371.20044	5.9
379.22809	4.2
399.27505	4.2
403.26212	69.9
404.26874	6.6
407.22083	7.1
417.27966	14.9
421.31030	8.4
427.26297	13.2
435.28842	9.4
445.27377	38.2
446.27585	7.7
463.28299	100.0
464.28738	13.8
481.29175	25.8
481.34210	55.9
482.29404	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.9
55.05505	2.9
56.62368	0.4
57.07077	1.6
59.78609	0.4
64.79797	0.4
67.05506	3.8
69.03421	0.7
69.07068	6.9
70.46844	1.3
72.23171	0.4
79.05483	3.3
81.07066	8.9
81.08107	0.5
83.08624	2.0
83.21564	0.4
85.06599	0.5
89.06045	2.1
91.05476	4.5
93.07047	7.7
95.04974	1.7
95.08614	15.6
97.06551	1.5
97.10197	0.7
105.07038	8.0
107.08601	9.8
109.06524	1.5
109.10168	8.8
110.10409	0.4
110.88605	0.4
111.08078	0.5
111.11736	1.1
117.07042	1.2
119.04925	1.4
119.08579	11.0
121.06517	4.1
121.10162	8.8
123.08082	2.9
123.11712	4.9
128.06230	0.6
129.06990	1.4
131.08574	5.1
133.06503	1.1
133.08621	0.9
133.10133	7.1
135.08066	3.0
135.11705	5.4
137.09587	0.7
137.13240	3.2
142.07785	1.0
143.08546	3.8
145.10132	5.2
147.08086	2.7
147.11691	5.0
149.09669	1.2
149.13283	1.4
151.14862	1.1
155.08597	1.3
156.09369	1.7
157.10109	3.9
159.08058	1.4
159.11720	4.7
160.08658	0.5
161.09619	3.1
161.13261	5.0
163.11227	0.6
163.14867	2.2
167.08560	0.5
169.10158	1.5
170.10878	0.6
171.10300	0.4
171.11699	8.1
173.09618	1.4
173.13271	3.2
175.07635	0.5
175.11221	3.4
175.14796	2.4
177.12764	0.8
177.16377	3.7
181.10179	0.5
183.11745	1.6
185.09752	0.8
185.13252	2.5
187.11214	3.1
187.14853	2.8
189.12766	6.6
189.14493	0.5
189.14825	0.6
189.16393	6.5
191.14316	0.6
191.18019	1.7
195.11671	0.9
197.13292	1.6
199.11246	2.4
199.14856	2.0
201.12743	1.0
201.16400	1.7
203.14374	0.8
203.17982	1.6
205.19531	0.8
207.11685	0.7
209.13283	1.0
210.10268	0.4
211.11171	0.6
211.14822	1.3
213.12801	1.7
213.16385	1.4
215.10738	1.5
215.14323	0.6
215.17978	1.7
217.12265	15.8
217.15770	4.9
217.19473	0.8
218.12637	0.5
219.17323	0.7
225.16382	0.9
227.14339	0.7
227.18018	1.3
229.12213	2.5
229.16022	0.5
231.13785	0.6
231.17426	1.4
233.19016	2.0
237.16324	0.8
239.17926	0.7
241.15779	0.8
241.19586	1.2
243.17456	1.3
243.21146	0.8
245.19035	1.3
253.19559	0.7
255.17456	0.7
255.21115	1.0
257.22638	0.5
259.20587	1.1
267.20956	0.5
269.15402	2.3
269.18851	0.8
271.20752	0.7
283.17004	4.6
283.20291	0.9
285.22046	1.2
297.22089	0.8
299.23804	0.9
303.19464	0.8
307.24283	0.7
325.25177	2.3
353.24786	0.8
393.35153	1.0
403.29843	1.8
403.34064	1.2
421.30899	100.0
422.31271	8.7
463.35834	1.3
481.37625	15.8
482.36942	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05509	5.6
57.07063	1.9
64.16152	1.0
67.05511	8.6
69.07072	14.1
69.11302	7.2
69.11726	1.8
79.05493	5.5
81.07061	17.1
83.08615	3.2
89.06055	1.3
90.97384	1.0
91.05479	5.1
93.07041	9.9
95.04974	1.5
95.08613	26.6
96.08942	1.2
97.06541	4.7
97.10178	1.9
98.32479	1.2
105.07036	11.6
106.07414	1.1
107.08596	18.0
108.93349	1.1
109.06556	1.5
109.10156	17.6
111.08096	1.2
111.11721	3.7
117.07027	1.9
119.08582	17.2
119.09349	1.7
121.06496	2.5
121.10138	16.2
123.08092	1.7
123.11698	6.9
129.07039	2.2
131.08578	6.5
133.10127	30.4
135.08054	3.9
135.11711	12.3
137.09578	2.1
137.13255	5.1
143.08574	3.0
144.09358	1.1
145.10135	14.2
147.08138	1.8
147.11702	9.2
149.09590	1.8
149.13272	5.0
155.08614	2.9
156.09354	1.9
157.10167	6.6
159.08041	1.0
159.11670	11.2
161.09671	2.4
161.13232	6.8
163.11206	1.6
163.14856	3.5
169.10130	3.4
170.10883	1.2
171.11716	5.8
173.09598	1.5
173.13257	10.2
175.11253	1.5
175.14816	9.1
177.12737	1.3
177.16370	1.8
182.10915	1.0
183.11731	5.0
185.13275	3.6
187.11241	1.9
187.14819	9.8
189.12790	1.3
189.16411	12.1
191.17979	4.5
195.11719	2.9
196.12476	1.7
197.13298	4.5
199.14828	4.2
201.12767	1.2
201.16418	3.1
203.14342	2.9
203.17990	2.3
209.13235	2.5
211.14780	4.1
213.16360	4.3
215.14383	4.7
215.17995	3.2
217.15840	5.1
217.19540	1.4
219.17366	1.8
223.14816	1.4
225.16463	2.4
227.17969	1.5
229.15880	2.8
229.19592	2.7
231.17465	1.7
235.14882	1.1
237.16463	1.7
239.17920	2.7
241.19447	1.4
243.17409	2.5
243.21173	2.2
251.17960	1.4
255.21231	1.1
259.20697	1.6
265.19492	2.9
267.21158	1.7
279.20999	2.0
283.20490	2.3
285.22226	1.6
293.22736	1.0
295.24075	1.9
296.91522	1.1
309.25751	1.5
311.23590	1.1
313.25320	2.4
323.27319	4.8
335.27289	4.0
388.30978	1.1
403.33618	14.9
404.33563	1.2
410.16718	1.3
421.34647	100.0
422.34955	10.4
463.35806	5.0
481.36752	13.8
482.36765	1.6
490.60822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51061	1.6
53.03939	2.0
55.05513	10.1
55.65170	1.3
57.07073	5.4
67.05497	12.4
69.07069	17.5
69.25580	8.2
69.25989	2.3
71.08656	2.6
75.60629	1.4
79.05479	7.8
79.72453	1.4
81.07056	26.2
83.08627	10.3
89.06032	6.1
91.05479	12.2
93.07047	15.6
95.04974	3.1
95.08607	59.4
97.06544	1.6
97.10184	4.1
105.07025	20.9
107.08596	43.8
107.09283	3.4
109.06529	1.8
109.10153	28.0
109.10895	1.8
111.08076	2.8
111.11716	4.4
117.07032	3.7
119.08578	34.9
121.06530	1.4
121.10142	31.5
123.08059	7.3
123.11707	35.5
129.07018	2.7
131.08554	12.9
133.08612	4.5
133.09123	1.5
133.10124	24.8
135.08002	2.0
135.11705	15.5
137.09714	2.5
137.13289	6.4
143.08580	6.2
145.10124	19.3
147.08040	1.6
147.11705	18.7
149.13278	7.8
151.14827	14.8
155.08476	2.4
157.10146	12.2
158.10826	1.9
159.11705	16.1
159.94022	1.6
161.09642	4.9
161.13301	15.3
163.14862	6.8
169.10118	4.4
171.11713	12.0
173.09671	1.5
173.13258	12.0
174.13704	1.8
175.14873	6.0
177.12784	2.0
177.16367	9.6
182.10870	1.7
183.11768	5.1
184.12537	1.7
185.13240	10.1
187.14833	13.3
189.12740	2.6
189.16379	49.1
190.16728	1.7
191.17943	15.8
195.11845	4.1
196.12578	2.3
197.13280	5.2
198.13922	1.9
199.14830	10.8
201.12724	2.1
201.16380	13.2
203.14682	1.6
203.17995	18.8
205.19637	4.2
207.17477	2.1
209.13176	1.9
211.14868	5.2
212.15598	2.5
213.16446	5.3
215.14391	5.3
215.17996	4.5
217.15897	28.7
217.19325	1.9
219.17471	16.1
221.13313	2.1
225.16479	5.3
227.17943	8.9
229.19566	2.2
231.17439	3.3
231.21141	2.9
233.19003	21.6
237.16396	2.3
239.17934	2.3
241.19592	5.3
243.17424	3.9
249.14810	13.5
249.18600	2.6
251.17853	2.7
253.19408	2.6
255.17482	2.1
261.21957	3.0
265.19589	7.0
267.21222	3.0
275.16425	4.6
275.23807	2.7
277.18042	6.5
283.17615	4.8
283.20505	2.8
313.25427	2.3
325.21698	3.1
327.26685	10.4
403.33514	25.4
421.34622	60.4
422.34961	6.4
439.35776	2.8
453.59360	1.5
463.35818	5.3
481.36777	100.0
482.37003	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	481.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.0
60.44844	3.3
65.03965	3.7
67.05492	7.9
69.07054	8.1
71.32606	4.4
79.05493	7.3
81.07057	18.0
83.08619	8.1
89.06029	14.2
91.05492	15.2
93.07051	22.4
93.07536	3.8
95.04963	5.0
95.08611	29.4
105.07030	11.6
107.08624	19.7
109.06524	3.6
109.10149	10.7
119.08573	29.1
121.06501	79.3
121.10146	15.6
123.08069	30.8
128.00124	3.3
131.08522	4.7
133.08574	4.6
133.10144	9.2
135.08052	18.8
137.09627	6.7
145.10159	9.5
147.08054	8.1
147.11630	4.5
149.09615	9.9
149.13295	3.4
157.10120	6.3
159.08101	7.9
159.11690	11.6
161.09644	29.5
161.13252	4.2
163.07393	4.6
171.11652	3.5
173.09616	10.7
173.13286	6.2
183.11699	4.1
185.13187	4.3
187.11186	8.0
189.12720	7.0
201.12759	10.7
201.16435	6.4
215.18036	3.4
243.17448	100.0
244.17693	7.9
261.18655	6.4
283.17526	7.4
303.19543	43.2
308.13974	3.3
371.25436	3.6
481.31314	22.7
481.36487	47.4
482.32623	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	481.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43882	0.6
55.05487	2.1
57.07045	1.4
58.26532	0.6
67.05495	6.7
69.07066	5.9
69.49136	4.7
79.05496	3.8
81.07063	10.3
83.04945	1.1
83.08582	2.8
91.05486	4.2
93.07045	9.2
95.08054	1.2
95.08608	17.1
97.10162	1.1
102.45998	0.7
103.05362	0.7
105.06380	1.0
105.07037	13.5
107.08599	13.7
108.03762	0.7
109.06532	1.4
109.09455	1.3
109.10157	21.2
109.81107	0.7
110.10489	0.9
115.05397	1.0
117.07011	1.8
119.08581	17.1
121.06477	1.6
121.10139	13.3
123.08068	3.1
123.11707	4.4
128.06177	0.8
131.08580	4.5
133.10129	100.0
134.10435	3.5
135.08064	1.1
135.11682	7.9
137.13292	1.6
142.07809	0.9
143.08578	3.6
145.10141	6.2
147.08107	1.7
147.11694	16.1
149.09677	0.8
149.13249	6.4
151.11194	1.4
155.08517	0.9
157.10081	3.5
158.10896	1.5
159.11711	8.0
161.09654	1.0
161.13248	8.1
163.14821	4.0
169.10158	1.2
171.11713	4.2
172.12511	0.8
173.09665	1.0
173.13260	12.8
173.14629	1.1
175.14825	8.6
177.16418	1.3
183.11732	1.4
185.13324	2.8
187.14789	5.4
189.12985	1.0
189.16382	16.5
191.17894	1.3
197.13298	1.8
199.14818	5.1
201.16383	6.5
203.14450	0.9
203.17984	1.8
205.19542	0.9
211.14709	0.9
213.12810	0.7
213.16376	5.0
214.17256	0.9
215.14363	0.8
215.18047	3.2
217.15887	8.7
225.16461	1.0
227.17970	1.7
229.19734	0.9
231.17531	1.8
239.17978	1.2
241.19585	1.1
243.17580	0.9
243.21182	1.0
253.19395	0.8
257.22644	23.7
258.23239	1.5
267.21182	1.4
275.23825	1.8
282.95880	0.7
289.88498	0.7
295.24399	1.5
317.25000	1.6
333.24484	2.1
403.34091	2.1
416.84293	0.8
421.34940	2.5
453.33890	1.2
463.36331	2.2
481.37286	25.9
482.37537	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	481.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.9
57.07080	0.6
57.94976	0.3
67.05500	2.4
69.07069	3.9
69.30385	2.2
79.00326	0.3
79.05479	1.7
81.07059	6.4
81.49661	0.3
83.08620	1.5
85.10094	0.4
90.89574	0.3
91.05486	2.7
93.07043	4.1
95.08607	11.4
97.06526	0.5
97.10191	0.5
105.07035	4.8
107.08601	6.2
108.09087	0.4
109.06513	1.2
109.10158	6.2
111.11723	1.1
117.07033	0.8
119.08582	8.3
121.06487	4.2
121.10146	4.2
122.10504	0.4
123.08067	3.1
123.11720	2.3
130.39137	0.4
131.08562	1.6
133.10129	6.0
135.08092	1.3
135.11691	4.4
137.09604	0.6
137.13257	1.6
141.19577	0.3
143.08565	2.3
145.10103	3.5
146.16377	0.4
147.08037	2.6
147.11681	3.2
149.09648	1.0
149.13271	1.1
151.11172	0.4
151.14871	1.2
156.09331	0.5
157.10132	3.1
158.10847	0.4
159.08070	1.0
159.11699	2.9
160.08878	0.4
161.09645	4.7
161.13237	1.8
163.11211	0.7
163.14821	0.7
166.50133	0.4
169.10078	0.7
171.11691	4.0
173.09636	1.0
173.13229	2.1
175.11212	1.6
175.14893	1.3
183.11630	2.4
185.13268	1.3
187.11197	1.1
187.14828	1.5
189.12749	1.3
189.16400	7.6
190.16750	0.5
197.13237	0.5
198.14024	3.8
199.14801	2.9
200.12100	0.4
201.12773	0.5
201.16344	2.6
202.13565	2.4
203.14278	0.5
203.17961	0.9
211.14827	0.8
212.15704	0.4
213.16371	12.0
214.16716	0.5
215.14407	1.8
215.17993	1.0
217.15880	27.3
218.16234	1.5
219.17473	0.4
225.16484	0.6
227.17931	1.1
229.15907	1.3
229.19592	0.5
231.17580	0.4
234.80704	0.3
239.18053	0.4
241.19630	0.8
243.17429	4.5
244.17807	0.4
249.18727	0.4
265.19257	0.4
267.21066	1.3
269.19025	0.5
275.16501	0.6
281.22577	0.9
283.20633	0.4
285.22101	0.6
303.19516	2.3
315.19705	0.4
317.21289	0.8
329.21115	0.4
371.25870	3.8
372.26364	0.5
385.27341	0.7
403.33679	1.5
421.34698	2.7
422.34012	0.4
426.69891	0.4
448.40704	0.4
463.35800	1.6
481.36774	100.0
482.37134	11.2
482.44131	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54751	1.5
53.03949	3.8
55.05516	5.8
57.07082	3.5
67.05510	11.2
69.07082	12.3
69.11295	10.8
69.11714	3.6
79.05515	6.1
80.18832	1.5
81.07055	13.9
83.08628	6.1
89.06051	7.3
91.05476	11.3
93.07043	21.6
95.04963	2.7
95.08610	30.1
95.09166	2.6
97.06564	2.0
97.46558	1.4
105.07020	9.6
107.04935	2.5
107.08587	18.7
107.09174	1.6
109.06555	2.8
109.10144	15.4
111.11797	1.9
116.88294	1.4
117.06969	2.0
119.08582	28.2
121.06513	72.1
121.10146	16.2
121.45638	1.5
123.08063	30.1
123.11653	8.9
125.09627	4.1
131.08589	6.6
133.06511	3.8
133.08664	5.2
133.10156	12.4
135.08046	15.6
135.11710	3.9
137.09657	6.4
137.13303	5.3
143.08607	2.7
145.10107	10.7
147.08073	5.8
147.11688	4.6
149.09627	8.1
151.14857	5.2
157.10147	4.1
159.08061	8.6
159.11679	8.4
161.09628	29.0
161.13248	2.6
163.11307	2.7
163.14804	2.4
169.10138	2.9
171.11729	4.3
173.09630	9.6
173.13312	4.3
175.11263	5.6
177.16432	4.8
183.11726	4.0
185.13292	4.0
187.11256	6.5
187.14888	6.2
189.12724	7.9
191.18015	1.9
197.13307	3.1
199.14880	3.6
200.11955	1.9
201.12762	10.9
201.16368	8.0
209.63669	1.7
213.12708	3.2
215.17949	3.7
217.15948	2.7
223.14980	1.9
225.16490	3.6
227.17888	9.1
228.15327	1.9
229.15875	4.1
243.17458	100.0
244.17754	5.4
261.18555	6.1
265.19540	2.0
267.21487	1.9
283.17679	2.9
293.22693	2.4
303.19516	52.5
304.19998	2.9
317.21274	1.8
327.27063	3.0
329.21307	2.2
360.47464	1.7
371.25983	7.1
403.33591	7.8
416.55353	1.9
421.34689	13.6
463.36081	4.8
481.36777	81.6
482.37164	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	481.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.8
57.07076	5.6
63.10505	2.9
67.05508	24.6
69.07072	27.3
69.15528	16.0
69.15932	7.0
71.08612	3.3
79.05493	15.9
81.07063	39.8
83.08618	15.6
91.05485	19.1
93.07058	29.3
95.08607	66.9
97.10159	4.5
105.07036	28.7
107.08601	79.7
109.06477	5.0
109.10162	43.8
111.08090	6.3
111.11710	6.5
114.81870	3.1
117.07011	6.8
119.08586	30.9
121.10154	46.9
123.08053	9.8
123.11704	60.9
125.09606	4.5
129.06996	6.6
131.08568	23.7
133.10138	49.3
133.43890	3.1
135.11694	23.6
137.13242	9.9
142.07779	4.0
143.08534	19.8
144.09352	6.2
145.10124	48.6
147.11678	13.2
149.09598	3.7
149.13248	7.9
151.14833	22.9
153.06960	3.8
155.08577	3.6
156.09349	7.0
157.10097	25.8
158.10941	3.9
159.11687	43.9
161.13223	7.2
163.14851	11.3
165.16312	3.9
169.10150	8.1
170.10912	3.3
171.11710	21.2
173.13289	13.9
175.14784	5.4
177.16396	21.4
181.15900	5.2
183.11697	11.5
184.12483	4.6
185.09727	3.5
185.13249	19.8
187.14825	12.4
189.16371	8.5
191.17909	9.0
195.11713	5.3
195.17494	3.5
197.13319	19.6
199.14841	6.1
201.16403	41.7
203.17949	3.7
209.13339	3.9
211.14781	7.1
212.15604	12.7
213.16414	12.4
215.17937	4.1
217.15883	3.9
219.17412	9.4
221.19063	3.0
223.14854	7.8
225.16322	7.8
227.17946	56.7
233.19125	9.3
237.16418	4.6
239.17950	4.3
241.19518	6.9
243.17586	3.6
245.18964	9.5
251.18031	5.2
253.19354	4.7
264.21967	3.0
265.19574	13.4
267.21255	3.3
269.19220	3.2
269.22659	2.9
283.24380	3.4
287.19998	9.3
293.22635	5.1
309.25681	5.8
313.25403	4.8
327.26913	22.3
353.28427	11.7
363.30551	4.0
403.33554	37.3
421.34628	100.0
422.34970	14.4
463.35614	4.0
481.36826	24.3
482.37219	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	481.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.05522	10.4
57.07068	5.1
64.96101	1.8
67.05509	15.9
69.07075	22.8
71.31866	2.2
79.05495	10.0
79.84906	1.6
80.14344	1.4
80.57194	1.6
81.07060	34.3
83.04982	1.7
83.08610	5.8
85.06567	2.1
89.06036	3.6
91.05466	10.5
93.07044	21.3
95.04971	3.4
95.08614	61.4
96.80997	1.4
97.06520	4.0
97.10173	5.6
99.85045	1.7
105.07033	22.2
105.28249	1.5
107.08592	26.6
109.06536	3.9
109.10162	28.9
111.08103	4.8
111.11687	2.4
117.06969	3.1
119.08582	34.4
121.06505	3.4
121.10149	27.1
123.08080	3.8
123.11712	17.8
125.09624	3.0
129.06976	3.7
131.08562	11.2
133.10135	25.0
135.08098	3.7
135.11688	14.1
137.09634	2.8
137.13228	11.4
139.11238	1.7
142.07805	2.6
143.08566	11.6
145.10121	19.9
147.08087	3.2
147.11671	13.2
149.09601	4.5
149.13263	8.1
151.11165	2.8
151.14847	3.0
155.08592	4.1
156.09344	5.6
157.10168	18.3
158.10878	1.9
159.08109	2.2
159.11703	18.2
161.09641	5.2
161.13275	10.2
163.11188	2.0
163.14845	5.3
163.55698	1.5
169.10112	5.9
170.10948	2.9
171.11693	19.7
172.12448	1.7
173.09605	2.8
173.13271	15.2
175.11273	2.2
175.14857	10.0
177.16376	2.0
181.10213	1.5
183.11708	13.1
185.13271	14.4
186.13914	2.1
187.11206	4.5
187.14806	16.2
189.12741	4.3
189.16440	13.7
191.14366	2.0
191.17978	3.2
195.11691	2.6
197.13290	10.2
199.14847	17.8
201.12749	3.9
201.16435	5.7
203.14297	3.2
203.18002	2.5
205.15775	2.1
207.11652	2.8
209.13293	4.3
211.14853	6.5
212.15529	2.2
213.16373	11.1
215.14207	3.5
215.17920	3.1
217.12247	6.1
217.15845	11.3
217.19446	5.0
223.14828	4.5
225.16432	5.8
226.17216	2.3
227.14288	2.7
227.18056	9.4
227.19977	1.9
229.15840	2.2
229.19415	4.8
233.13344	1.8
233.15375	6.3
235.20549	5.4
237.16470	3.9
239.17928	5.7
241.19533	19.5
243.17339	3.8
249.18538	2.6
253.19542	4.1
255.17323	2.6
255.21071	6.4
265.19467	2.4
267.17386	2.2
267.20981	1.8
269.19052	4.5
271.20609	6.7
279.21143	2.4
281.22656	2.5
283.17038	1.8
283.20541	4.1
285.18549	2.4
285.22232	1.8
297.22018	2.4
301.21722	2.3
307.24289	1.6
331.22635	2.5
379.33841	2.3
393.35382	2.7
403.29449	3.5
403.33752	4.9
421.29919	8.0
421.34848	7.7
461.10428	1.8
463.32059	3.3
481.29303	12.0
481.36481	100.0
482.36780	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	482.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01881	2.6
56.96574	2.1
57.03441	5.4
60.25805	1.0
61.02928	8.4
69.03434	14.6
70.06570	1.1
71.05013	1.4
71.30768	1.4
73.02916	3.8
81.03420	8.3
83.01364	1.4
85.02911	100.0
86.03246	1.4
87.04469	1.7
91.03981	6.0
97.02901	23.1
98.97578	2.2
99.04456	4.7
103.03935	2.5
109.02887	49.9
110.03195	1.0
110.07230	1.1
116.98627	1.1
120.08150	1.4
123.04480	2.2
127.03920	22.6
141.04382	1.4
141.05473	33.5
145.04968	42.5
145.06125	2.3
147.04428	1.2
151.03877	1.0
163.06009	14.4
165.05487	1.3
177.05484	3.8
199.99796	1.4
207.06573	3.6
216.98695	6.8
228.98833	1.4
234.99765	4.0
249.07617	1.7
258.99835	1.9
267.08704	2.9
270.99667	2.1
271.08249	1.3
289.01074	1.7
303.04837	1.1
361.03070	1.4
459.07224	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08493	1.8
53.03748	2.0
53.03944	13.7
55.01883	10.7
55.05503	13.2
57.03430	7.5
60.00117	1.9
61.02915	4.7
61.65831	1.9
63.02382	2.8
65.03938	7.5
65.14008	1.9
66.30341	2.4
67.01877	5.0
67.05502	15.1
68.99786	5.1
69.03429	41.2
69.07057	11.3
69.56426	5.3
69.56837	6.5
71.04992	25.4
73.02921	8.1
77.03957	2.8
79.05490	24.2
81.03419	27.5
81.07066	23.2
82.07392	4.4
83.04989	5.7
83.08611	2.4
85.02906	100.0
86.03197	3.0
87.00829	50.4
87.04488	2.5
89.89135	2.4
91.01839	80.1
91.05477	38.2
92.05830	5.1
93.03379	3.9
93.07057	21.0
94.07391	4.0
95.04967	5.2
95.08610	27.0
96.08937	6.2
97.02895	39.9
97.06474	2.9
98.03291	2.7
99.04445	15.3
103.03962	2.2
103.05479	8.2
105.01865	74.8
105.07029	40.8
106.07379	8.9
107.04971	6.9
107.08588	28.0
108.08892	3.6
109.02877	35.4
109.06521	4.4
109.10165	11.6
110.10522	5.1
111.04470	3.3
111.08121	6.4
115.05444	21.2
116.06266	2.9
117.01820	2.3
117.07035	16.6
118.07339	2.3
119.04948	6.5
119.08580	48.4
120.08923	11.7
121.06516	8.2
121.10152	13.6
121.10887	2.2
122.10529	4.1
123.11700	4.5
127.03917	82.3
128.04269	3.5
128.06219	40.0
129.01834	3.7
129.07008	26.2
129.73140	2.4
130.07381	3.7
131.04997	3.0
131.08565	28.8
132.08916	6.5
133.06494	8.5
133.10133	19.4
133.11142	2.3
133.11359	1.9
134.10477	5.6
135.08032	10.6
135.11702	4.6
137.06023	3.8
137.09605	3.8
141.07001	19.2
142.07799	11.8
142.12297	2.5
143.08588	25.4
144.08939	7.6
145.04974	40.1
145.06493	6.2
145.10120	37.8
146.10509	12.8
147.02858	3.1
147.08069	7.3
147.11697	15.3
148.08372	3.1
148.12009	5.4
149.09618	3.1
150.13618	2.3
152.06262	8.9
153.06956	11.8
154.07793	5.0
155.07411	3.2
155.08539	17.7
156.09268	8.8
157.06477	5.4
157.10115	20.0
158.10573	7.4
159.02850	12.1
159.08086	5.2
159.11710	17.1
160.12065	7.5
161.09647	6.5
161.13289	7.2
162.13582	3.3
163.07552	2.5
163.14857	3.6
165.06990	30.0
166.07748	8.0
167.08572	6.2
169.06511	5.5
169.10085	10.3
170.10748	5.1
171.08058	6.1
171.11700	16.9
172.12019	5.2
173.09698	3.3
173.13234	9.1
174.13641	5.4
175.11157	5.0
175.14879	9.7
176.15082	3.1
177.12718	2.9
177.16533	3.5
178.07892	2.7
179.08484	4.0
180.09294	4.6
181.10161	7.8
182.10745	3.4
183.08041	2.9
183.11694	9.2
184.12051	6.4
185.09694	3.9
185.13329	11.1
186.13593	5.9
187.07597	2.9
187.11273	4.7
187.14833	50.0
188.11562	3.0
188.15166	24.6
189.03932	3.5
189.12770	7.0
189.16432	3.9
190.13098	5.0
190.16745	3.5
191.14333	2.9
193.10083	3.7
195.11757	7.8
196.12148	3.5
197.09627	2.8
197.13251	7.5
198.13632	4.2
199.11264	14.8
199.14862	11.0
200.15221	4.1
201.12712	4.5
201.16396	10.8
202.16707	7.4
203.14291	20.1
204.14673	11.5
208.12085	2.5
209.13220	3.2
211.14821	3.6
213.04005	3.9
213.12735	3.9
213.16339	4.3
214.16832	3.2
215.10651	2.9
215.14362	5.6
216.14635	6.2
217.10204	2.4
217.12297	4.6
217.15944	7.6
218.16330	2.5
219.13867	4.0
221.13385	2.9
223.14870	3.5
225.16394	7.0
226.16722	2.6
227.14262	2.8
229.12283	3.2
229.15851	5.1
230.12564	3.1
231.05035	27.7
231.13887	5.1
237.16486	3.1
238.16867	2.4
239.18011	3.3
240.18344	4.1
243.13789	3.3
245.15369	3.2
246.15742	3.1
249.06070	9.6
252.18253	2.9
253.12343	3.0
280.18829	3.1
280.21603	2.9
360.31793	2.3
372.27750	2.8
384.16360	4.5
390.28625	4.8
392.30347	4.2
400.27161	3.8
417.27676	3.5
418.28198	16.6
420.30359	2.9
428.26291	3.0
435.29010	6.7
436.29324	24.5
438.31357	4.1
446.27954	5.4
454.30313	3.0
463.28424	6.4
464.28687	18.2
481.29553	15.7
482.23373	40.1
482.29794	45.7
483.22266	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	482.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	16.1
55.05517	13.5
57.07085	11.6
63.89888	5.7
65.03944	25.0
67.05492	23.3
69.03431	30.8
69.07064	12.7
69.29844	43.2
71.04991	20.9
72.00542	6.1
76.81132	5.9
79.05494	23.1
81.03406	25.0
81.07050	26.8
83.08615	11.3
85.02908	52.8
85.06559	8.5
85.76858	7.2
87.00831	20.0
91.05476	23.5
93.03406	100.0
93.07037	23.1
95.04973	15.8
95.08614	24.2
97.02885	19.4
98.97598	7.8
99.04459	6.7
100.11233	7.9
105.01877	12.0
105.07047	40.3
107.04961	7.6
107.08591	28.1
109.02877	14.8
109.10169	14.8
115.05457	27.1
117.07024	11.5
119.08581	15.8
121.10127	9.5
127.03918	27.9
128.06219	41.7
129.07037	40.7
131.08537	9.2
133.06549	7.4
133.10138	12.1
141.06973	24.3
142.07791	19.3
143.08556	24.7
145.05003	10.7
145.06393	8.7
153.06981	22.3
155.06038	8.7
155.08553	19.7
157.06447	11.4
157.10120	10.8
159.02849	10.4
159.11575	9.0
165.07050	22.5
169.06502	13.7
169.10114	7.7
171.07974	10.6
171.11621	8.8
173.13333	8.5
199.11206	71.9
224.08470	8.6
229.68607	7.9
231.05075	11.0
331.44864	7.2
421.31949	7.6
482.20746	12.7
482.28650	8.2
483.21634	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	482.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01867	6.5
55.05503	7.4
57.03440	9.0
67.05517	11.7
69.03430	14.6
69.07060	7.0
70.06602	7.5
71.04984	28.9
71.31111	4.2
73.02918	17.5
77.52973	3.8
79.05495	46.9
80.73909	3.8
81.03430	14.8
81.07056	29.0
83.04991	7.8
85.02903	24.7
85.06553	5.7
91.05484	18.2
91.57823	3.4
93.07040	92.4
95.04982	4.5
95.08611	22.4
97.02888	12.8
97.06560	9.8
99.04382	3.7
103.05450	3.6
105.07019	20.3
107.08595	57.0
109.02882	5.1
109.06541	14.1
109.10165	11.4
117.07007	4.5
119.08607	11.1
121.06512	8.2
121.10149	100.0
123.11729	5.6
125.09608	5.6
126.75021	4.0
127.03939	11.1
127.07528	25.7
131.08586	9.8
133.04930	6.5
133.10132	4.9
135.08054	8.8
135.11688	26.7
143.08571	5.3
145.04916	7.3
145.10139	11.2
147.11652	5.4
149.09660	24.9
149.10677	4.4
153.09073	28.2
153.12738	14.6
157.10143	11.4
157.32785	3.6
164.07104	4.3
167.10666	29.3
171.11635	4.0
171.13797	18.2
173.13344	6.6
185.11699	28.2
203.14241	4.7
217.14407	12.1
249.18549	5.8
285.20599	11.1
482.26312	14.8
483.14792	3.8
483.30734	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	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01860	5.7
55.05498	4.5
57.03437	13.6
58.76187	1.2
59.05001	1.2
61.02923	10.3
65.03912	1.8
67.05501	6.2
69.03086	1.7
69.03428	24.8
69.07063	4.6
70.52881	3.6
71.01344	4.1
71.04977	2.4
73.02916	48.3
77.23560	1.2
79.05492	13.5
81.03400	7.1
81.07056	9.7
83.04980	3.0
85.02904	55.0
87.04472	3.3
91.03930	1.9
91.05475	18.5
93.07040	81.7
95.04965	4.8
95.08615	10.5
97.02887	36.7
97.03504	2.4
97.06525	4.8
99.04455	3.7
103.03944	2.9
105.07030	9.7
107.08590	100.0
108.08942	2.4
109.02880	5.9
109.06499	2.6
109.10139	6.2
111.15865	1.3
115.03922	20.6
119.06072	1.6
119.08575	4.2
121.10147	5.5
127.03920	17.4
131.08571	1.9
133.04950	24.6
133.10138	2.6
135.11691	72.3
136.11998	3.4
145.04965	20.4
145.10109	1.5
147.11673	2.2
149.09552	3.0
153.12756	7.9
159.11691	2.7
163.06035	9.7
163.11166	1.9
175.11165	1.5
184.48347	1.3
188.35164	1.1
189.12706	1.6
193.04985	1.9
219.13766	1.4
223.05984	2.7
229.15335	1.4
241.07141	3.8
249.14822	2.0
259.08191	6.1
267.15829	3.9
295.10272	1.7
326.83844	1.3
331.92334	1.2
351.99228	1.4
367.08676	1.3
407.24741	1.2
496.64047	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18656	2.6
55.01867	3.7
55.05515	10.8
57.07066	3.5
61.85976	2.6
63.96295	2.9
66.47995	3.0
67.05494	3.5
68.99795	3.4
69.03422	4.0
69.07071	64.9
69.52791	12.5
71.04991	6.2
71.08617	2.5
79.05495	3.6
81.03423	5.1
81.07044	4.8
83.08636	3.3
85.02909	11.3
85.79657	2.6
87.00826	4.6
89.91171	2.6
91.05491	6.0
93.07075	4.8
95.08646	5.4
97.02945	5.8
98.22658	3.4
99.04562	2.5
105.01873	4.6
105.07058	4.4
107.08624	5.2
109.02900	3.1
109.10174	3.0
111.08102	2.6
111.11724	100.0
119.08582	3.2
121.10164	2.9
127.03918	10.3
128.06255	3.7
129.12762	4.5
131.08592	5.1
133.10150	5.6
171.11662	2.7
199.16980	27.4
201.93164	2.8
217.18025	14.8
270.00568	2.7
281.66348	2.8
475.82367	2.7
483.22119	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.1
55.01882	4.9
55.05505	9.3
57.03454	6.5
57.07070	11.7
57.68982	2.8
61.02913	4.2
69.03435	24.0
69.07071	57.6
71.04989	8.0
73.06568	7.8
81.03419	20.0
81.07069	7.9
85.02906	49.0
87.00843	26.7
87.78379	3.2
89.06024	31.3
91.05529	3.0
93.07078	4.8
95.08611	8.6
97.02891	30.1
99.04462	11.2
105.01869	36.7
107.08643	5.1
109.02888	24.2
109.10177	5.0
111.11722	83.3
119.08598	4.0
121.10173	5.1
127.03934	35.9
129.12766	100.0
133.10025	3.9
145.04990	20.0
159.02917	9.7
171.08176	3.8
178.85555	3.1
195.11633	3.6
198.76073	3.3
199.16980	11.1
217.18030	10.1
231.05003	5.7
312.53833	3.8
343.02728	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
55.14458	0.3
56.05018	1.1
57.07076	3.1
58.06577	1.5
59.07380	0.4
60.08163	17.5
67.05505	1.1
69.07056	0.8
69.83578	1.3
71.07372	7.3
71.08636	2.1
72.08965	0.3
76.32254	0.3
80.18494	0.3
81.07058	1.0
83.08622	0.8
85.10180	0.6
86.09703	48.6
89.05979	0.4
95.08607	1.4
98.98464	3.8
104.10740	98.8
105.11057	1.4
109.10162	0.7
120.98701	0.3
125.00001	28.6
138.53813	0.3
163.01572	1.0
184.07336	100.0
185.07681	1.2
239.29230	0.3
258.11035	1.3
299.25839	2.2
387.08884	0.3
405.23907	0.5
452.03918	0.3
464.31369	8.5
482.32410	21.5
483.32922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
57.06795	4.4
57.07079	68.5
67.05504	9.1
69.07072	18.9
71.08636	59.8
71.31317	3.5
73.06561	4.8
79.05503	5.3
81.07074	22.2
83.08626	6.8
85.10181	38.4
87.04461	2.8
89.06037	100.0
91.05489	7.7
93.07055	14.4
95.08609	30.6
96.08947	2.3
97.06563	2.8
97.10188	6.1
99.08123	2.6
99.11733	4.3
101.83205	2.2
105.07040	17.8
105.86272	2.0
107.07036	4.5
107.08598	18.4
109.06561	4.3
109.10145	14.8
111.11758	4.7
113.13316	5.0
115.09924	2.0
117.09148	5.2
119.08578	21.0
120.08953	2.5
121.10159	19.0
123.08085	2.8
123.11704	12.6
127.14857	2.4
129.07048	3.5
131.08575	9.0
133.08614	61.5
133.10086	12.9
135.08072	4.9
135.11668	12.8
137.05614	2.6
137.13274	4.2
142.07857	4.0
143.08574	5.4
145.10161	10.4
147.07878	2.3
147.11691	9.7
149.13252	4.0
157.10149	5.7
159.11726	9.1
161.09676	5.4
161.13289	5.5
163.14841	3.9
169.10239	2.8
171.11674	5.5
173.09650	3.5
173.13309	9.8
175.11272	4.0
175.14813	7.4
177.11276	19.5
181.10190	2.4
183.11734	3.7
185.13306	3.8
187.11200	2.7
187.14890	4.5
189.12674	3.0
189.16426	9.8
191.17883	2.4
195.12079	3.1
199.14824	4.1
200.24051	2.3
201.16374	3.8
203.18135	3.4
211.11226	2.4
215.14455	3.2
219.17406	2.7
220.69391	2.4
222.01213	2.8
227.14174	2.4
227.17966	2.6
228.14742	2.7
229.19548	2.3
231.13734	3.4
239.14828	3.4
257.19046	2.3
269.19107	2.5
283.17529	26.2
377.32458	3.3
404.30255	2.8
405.31619	4.3
422.31335	3.5
423.32538	7.5
454.34412	2.8
464.32217	3.2
465.38324	13.0
482.32138	12.9
482.37146	12.4
483.29926	7.6
483.35672	20.8
502.71457	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.7
59.00408	1.1
69.03432	2.4
82.99888	4.0
85.02896	2.7
85.11654	1.3
97.02907	2.0
98.97585	9.1
101.00876	16.2
110.97571	3.7
113.00915	3.9
115.02441	4.9
116.98610	3.1
119.01923	27.0
124.99109	1.4
126.69043	1.3
127.02409	2.2
128.98627	2.7
129.03972	1.4
131.01915	12.7
133.03474	11.3
137.03000	2.2
139.02342	1.9
142.90414	1.7
143.00171	4.2
143.01888	23.5
143.02980	1.4
145.03476	15.7
146.03709	1.1
146.99655	1.5
147.01334	2.2
149.01205	1.3
149.02922	1.3
151.04622	1.4
155.01910	21.5
157.03453	11.9
158.99745	3.2
161.01550	1.9
161.02965	22.0
165.65570	1.2
167.01881	7.7
169.03554	3.7
170.99670	2.7
171.05051	5.0
173.02959	32.5
174.03111	1.8
175.04539	16.2
177.00826	2.9
177.02451	3.4
179.01932	5.5
183.01404	1.7
183.05174	2.0
185.01366	1.6
185.02971	40.8
186.03119	2.9
187.04568	5.2
189.00803	2.1
189.06201	1.4
191.03967	2.2
197.02943	18.5
201.00731	3.0
201.02423	25.5
201.06102	4.5
202.02498	2.8
203.03986	14.6
209.02966	1.7
211.04623	2.8
211.90672	1.4
213.02423	4.5
215.03983	13.0
219.01744	3.0
219.03516	56.0
220.03752	3.6
221.05083	5.2
227.04008	10.5
229.05640	1.2
231.01526	2.0
231.03589	9.1
235.06694	3.4
237.02705	5.6
237.04765	2.5
237.65807	1.3
239.04109	1.8
240.02213	1.7
243.03548	1.9
243.30563	1.3
245.05075	100.0
246.05247	7.2
249.04646	5.9
255.03406	2.4
257.05112	8.3
261.04779	13.8
263.06180	14.6
267.03839	1.6
273.04703	1.6
275.06125	14.1
279.05643	3.9
279.09122	1.3
285.04660	1.5
293.07196	4.7
303.05722	14.7
303.09183	2.3
305.07071	11.0
306.07510	1.4
309.04980	2.9
321.06635	19.4
321.10431	5.0
322.06921	2.0
335.08060	2.3
337.09665	3.6
363.07587	2.8
365.09305	5.3
405.07010	1.4
483.16943	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	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20777	0.5
61.50848	0.4
69.03439	0.8
70.06596	1.3
71.04977	0.7
72.08165	0.9
76.26187	0.5
79.05497	0.6
81.07041	1.2
85.02939	0.8
91.05473	1.5
91.39552	0.5
93.07022	1.2
95.04954	0.6
95.08608	1.0
98.09699	0.9
98.23360	1.1
105.07059	1.2
107.08612	0.8
110.07204	0.8
114.09129	0.9
119.08607	1.1
127.03983	0.5
129.07039	0.6
129.10358	0.5
130.98460	0.4
131.08531	1.0
133.10149	0.8
137.06032	1.2
142.07797	0.6
143.08580	0.9
145.10150	1.4
156.09355	0.7
157.10114	0.7
159.11717	1.3
169.04779	0.7
171.11771	0.6
173.13310	0.9
185.04239	1.3
185.13318	0.9
187.14767	0.5
191.06978	0.5
199.14816	0.6
203.14287	1.2
205.04724	9.8
215.14285	0.6
217.08395	6.8
219.06328	0.8
227.05215	2.7
234.08653	7.9
235.09425	9.8
241.11635	0.5
271.04196	3.5
329.26257	0.5
372.39557	0.6
380.56281	0.5
397.14746	5.0
421.14658	1.5
439.15771	33.1
440.15652	2.5
447.29034	0.5
465.13339	2.2
465.30240	0.6
483.14731	100.0
484.15060	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	483.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
54.23540	0.7
55.01863	2.5
55.02096	0.7
55.05498	2.2
57.03444	1.6
57.07064	0.7
61.02915	1.4
61.45633	0.6
67.05494	3.3
68.99779	1.0
69.03438	12.6
69.07066	1.6
70.51126	1.0
70.51443	1.1
71.04984	2.2
73.02908	3.0
79.05491	2.5
79.36615	0.7
81.03423	11.5
81.07045	5.2
85.02905	15.6
85.06545	0.9
87.00826	6.5
91.05476	3.6
93.07044	4.8
95.04964	2.2
95.08612	11.9
97.02896	6.2
97.06516	2.1
99.04464	4.3
100.11259	1.3
105.01859	4.2
105.07034	7.8
107.08607	5.3
109.02885	11.9
109.06497	1.5
109.10161	3.4
111.08082	2.3
117.07014	0.8
119.08591	11.8
121.06490	3.2
121.10151	7.0
123.08042	1.5
127.03917	14.7
128.06204	1.2
129.01869	1.3
129.07043	1.4
131.08553	3.2
133.10133	8.7
135.08038	5.6
135.11714	1.4
137.05998	0.7
137.09587	2.0
141.07079	0.8
142.07782	1.7
143.08572	1.5
145.04979	5.0
145.10120	4.1
146.07262	0.8
147.02847	0.8
147.08047	3.0
147.11667	4.7
157.10143	4.5
159.02887	6.5
159.08043	1.3
159.11664	3.0
161.09613	11.3
161.13258	1.7
163.11124	0.8
171.11633	1.9
173.13274	1.8
175.11227	7.5
175.14836	3.1
184.12560	0.8
187.14815	1.0
188.11989	0.9
189.12784	4.6
189.16383	20.8
190.16699	1.4
199.11104	0.8
199.14864	2.9
201.16408	1.5
203.14319	3.6
217.15880	100.0
218.16248	5.1
219.17422	1.6
231.05029	2.9
235.14621	1.1
235.16942	18.2
236.17233	1.2
256.74963	0.7
344.47556	0.7
397.23459	0.8
399.30911	0.7
414.05087	0.8
421.30853	1.4
437.30405	3.0
439.32141	5.4
483.16476	4.8
483.22726	0.7
483.30936	2.9
483.37378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05515	70.3
56.05841	2.0
57.07087	1.9
61.09007	1.3
65.61120	1.4
67.05519	2.3
69.07085	3.8
69.22083	7.7
71.04985	1.4
74.12019	1.3
75.04485	1.8
79.05489	2.5
79.45052	1.1
81.07053	6.0
83.04986	100.0
83.08620	2.1
85.06541	1.6
85.91571	1.2
87.08093	1.9
91.05518	3.1
93.07058	5.6
95.08595	7.1
97.06493	1.3
98.22571	1.4
105.07043	5.2
107.08574	6.8
109.06568	1.8
109.10178	5.7
117.06996	1.9
119.08592	8.1
121.06517	1.8
121.10146	8.3
123.08089	2.2
123.11686	3.1
130.26486	1.2
131.08624	2.3
133.10135	6.8
135.08049	2.6
135.11732	3.3
137.09621	2.1
143.08557	1.4
145.10147	5.1
147.08142	1.4
147.11664	2.8
149.09587	2.0
155.08479	1.6
156.09380	2.2
157.10159	3.4
158.07246	1.9
158.53706	1.4
159.08060	3.2
159.11707	5.0
161.09602	3.7
161.13231	1.8
169.10138	1.3
171.08145	1.7
171.11679	2.7
173.09698	1.2
173.13211	2.6
175.11281	2.1
175.14874	2.0
179.10703	1.8
185.13280	2.0
187.14819	1.7
187.72646	1.2
189.09100	2.7
189.16498	1.9
191.10759	1.2
192.94203	1.2
195.11804	1.4
199.11287	1.2
201.12689	2.0
204.07854	2.6
211.14723	1.4
214.56766	1.3
217.12140	1.8
219.10211	3.4
223.14893	1.8
230.55305	1.5
233.15361	1.6
247.09554	8.7
250.10204	1.7
261.11288	2.7
262.12018	11.7
263.06882	1.9
263.10565	1.8
264.07938	2.4
265.08630	2.4
265.12061	1.6
275.07123	1.2
277.08682	2.6
278.09299	3.1
279.10101	1.9
281.08017	2.4
283.05594	1.5
289.08746	2.6
290.09402	1.6
291.06543	1.8
291.10150	3.7
292.07416	1.2
292.10886	3.2
293.08102	4.9
293.11383	2.0
294.08853	3.9
295.09335	1.3
303.06619	2.0
303.10101	3.1
304.11038	1.4
305.08118	4.7
305.11447	1.9
306.08939	2.3
306.12286	1.4
307.06284	1.3
307.09619	5.0
308.10617	2.9
309.07675	4.6
309.11041	2.4
310.08554	1.6
313.11014	1.7
317.08060	2.5
317.11658	1.6
318.08936	1.7
319.06165	1.8
319.09738	4.7
320.10452	4.4
321.07748	2.5
321.11224	5.5
322.08386	5.0
322.12045	3.1
323.09119	4.4
323.12683	2.8
324.09872	3.2
325.10822	2.2
329.11569	1.9
331.09561	2.0
332.10394	1.7
333.07611	2.5
333.11316	2.6
334.08359	4.1
334.12085	2.4
335.05463	3.0
335.09213	5.5
335.12857	3.8
336.10037	3.7
337.07031	3.0
337.10733	11.7
338.07990	2.6
338.11456	4.7
339.08725	2.0
339.12344	4.9
346.11835	1.9
347.09076	4.3
347.12753	2.5
348.09882	4.4
349.06943	2.2
349.10651	11.6
349.14276	1.7
350.07751	4.0
350.11584	3.6
351.08582	5.0
351.12372	8.3
352.09338	3.8
352.13065	3.3
353.10172	5.2
353.14020	5.3
356.12497	2.4
361.10651	3.7
361.14545	1.9
362.11465	1.5
363.12183	8.9
364.09158	2.4
364.13062	4.0
365.10141	12.1
365.13983	5.4
366.10840	3.0
366.14838	1.7
367.07849	2.0
367.11664	9.2
367.15543	5.1
368.12534	3.4
369.17062	2.3
373.14447	2.4
375.12045	2.1
376.12695	1.6
377.13867	2.8
379.11475	9.8
379.15799	1.9
380.12592	8.5
381.13306	16.3
382.14151	2.5
384.11768	1.8
389.13797	2.2
391.19220	1.8
394.14072	9.9
395.14938	18.9
396.16016	7.2
397.12689	12.6
398.13580	2.8
399.14444	8.7
401.19656	2.7
405.17023	7.4
407.14966	2.5
409.16373	5.6
409.21133	7.3
411.14160	11.4
412.15256	9.5
413.15912	5.1
414.16785	18.9
415.17319	5.3
419.18619	8.3
420.19400	7.4
421.16110	3.3
422.17081	3.8
423.21625	3.0
427.17480	22.4
436.18906	2.5
437.19604	12.5
447.29303	2.0
451.21240	21.5
452.21863	15.0
465.29718	5.9
468.21329	1.8
483.23785	78.2
483.30844	24.6
484.24219	6.7
484.30948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15791	6.9
55.05505	39.1
57.03439	7.4
57.07067	17.1
58.65830	5.8
67.05503	26.7
69.03442	8.2
69.07066	62.8
69.31121	26.6
69.31541	16.3
79.05498	15.0
81.07052	41.6
83.08636	32.1
85.06525	7.3
91.05491	26.8
93.07044	38.1
95.08603	68.7
97.06534	12.0
97.10188	17.3
98.98469	16.8
105.07037	36.8
107.08585	58.0
109.10173	38.2
111.08099	8.8
111.11723	16.9
119.08595	52.4
121.06466	7.1
121.10153	52.1
123.08083	7.6
123.11705	29.4
131.08569	29.4
131.87866	6.2
133.08473	6.7
133.10130	34.0
135.08067	9.6
135.11705	22.4
136.25540	6.7
143.08630	12.5
145.10123	31.9
147.07996	9.8
147.11723	26.4
149.09650	9.3
149.13275	14.4
155.01074	7.5
157.10164	42.3
159.08078	10.7
159.11717	19.9
161.09628	8.5
161.13271	20.3
163.14832	19.2
167.14337	13.3
169.10138	25.5
171.11699	14.3
173.09665	10.1
173.13333	10.1
175.11162	13.7
175.14917	19.0
177.16336	8.8
181.10098	9.9
181.19008	6.5
182.51346	7.3
183.11703	10.3
185.09645	12.0
185.13269	17.8
187.14835	23.2
189.09242	7.3
189.12793	17.6
189.16415	33.0
191.14368	6.6
191.17850	7.4
195.11739	14.4
197.13289	17.5
199.11177	10.0
201.12793	14.5
201.16402	13.6
203.14391	14.7
213.12720	12.9
213.16441	8.0
215.14433	9.2
215.18027	8.3
219.13925	8.0
223.14862	7.7
227.83762	7.1
229.15916	8.5
233.15459	11.8
241.15262	6.7
265.19479	27.9
287.20078	10.6
311.25769	94.0
318.51697	7.1
353.24847	17.3
405.31647	15.9
413.23755	7.6
423.32843	100.0
465.29117	13.4
465.34613	12.0
483.30557	88.3
483.35031	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01869	1.3
55.05510	11.1
57.03423	1.8
57.07077	2.3
60.53073	1.0
65.03941	3.1
67.05502	18.8
69.03436	4.2
69.07069	9.7
69.22935	6.9
70.02940	2.3
70.06596	2.5
71.04985	5.2
72.98800	1.3
77.03931	1.5
79.05492	23.7
79.05909	2.0
81.03429	3.5
81.07062	32.1
83.04983	4.5
83.08625	3.7
84.04509	1.7
85.02905	3.3
85.06548	3.2
86.09725	1.8
91.05479	36.0
93.07046	37.6
95.04968	19.7
95.08607	36.9
95.09215	1.3
97.06522	6.1
97.10193	2.4
99.05549	1.3
103.05470	4.5
105.07031	75.5
106.07337	1.8
107.04981	2.9
107.08595	33.2
107.09278	2.1
109.06524	8.8
109.10159	15.2
111.08105	3.4
113.06023	1.7
115.05395	6.1
116.06255	3.2
116.63570	1.3
117.07021	23.6
117.07819	1.4
119.04942	2.6
119.08581	65.9
120.08911	2.2
121.06464	9.6
121.10152	20.6
122.10635	1.2
123.08073	6.8
123.11701	3.5
125.09654	2.5
128.06223	10.6
128.43855	1.2
129.07007	19.4
130.07811	7.7
131.04955	3.0
131.08568	66.7
132.08968	1.8
133.06488	11.4
133.10130	34.6
135.08072	12.6
135.11702	7.4
137.06000	2.3
137.09642	2.7
139.07570	1.7
141.07011	8.8
142.07762	14.6
143.08568	50.9
144.09373	6.1
145.06119	7.1
145.10126	100.0
146.10536	3.4
147.02634	1.3
147.08054	18.4
147.11678	19.8
148.08441	2.0
149.06006	2.7
149.09641	7.4
149.13312	5.4
151.07565	2.1
153.05505	1.3
153.07001	2.6
153.09091	1.3
154.07745	2.4
155.08557	15.7
156.09338	14.7
157.10124	58.8
158.07265	1.4
158.10899	7.2
159.08096	10.4
159.11697	56.2
160.12094	1.8
161.09647	18.7
161.13234	17.7
163.07549	1.8
163.11153	2.5
163.14839	4.2
165.06949	1.3
165.12773	1.4
167.07219	1.9
167.08597	5.7
168.09340	5.6
169.10132	24.6
170.10907	10.4
171.08109	2.7
171.11687	34.6
172.08815	2.0
172.12367	2.9
173.09756	7.6
173.13255	52.3
174.13647	2.3
175.11217	10.7
175.14821	20.4
177.03299	1.9
177.09268	1.3
177.12790	5.4
177.16475	1.8
179.08586	1.7
181.10107	7.0
182.10924	4.8
183.08157	1.5
183.11679	28.9
184.12419	3.9
185.09782	5.8
185.13260	89.0
186.10483	2.2
186.13663	3.9
187.11241	8.9
187.14824	57.6
188.15179	2.9
189.09093	2.2
189.12741	15.8
189.16341	5.9
191.10675	2.2
191.14294	6.8
193.10150	3.2
193.12306	1.3
193.15860	2.1
194.08168	2.0
195.11633	7.7
196.12550	3.1
197.13263	24.8
198.13614	1.6
199.11230	3.4
199.14821	45.8
200.15237	2.3
201.12744	28.9
201.16383	22.5
201.18150	1.7
203.14311	62.5
203.18019	2.4
204.14774	3.7
205.10205	1.7
205.12212	2.2
205.15907	4.8
207.11887	2.2
207.13754	2.0
209.13249	7.7
211.04231	1.6
211.11443	1.1
211.14832	17.3
213.12781	7.3
213.16373	12.8
215.14316	19.6
215.17909	2.2
217.12488	2.0
217.15887	23.3
219.11774	1.7
219.13797	18.6
219.17401	1.8
221.13333	3.8
221.15405	8.1
223.14847	5.0
225.16394	6.2
227.14307	6.3
227.18033	3.8
229.15869	18.1
231.13771	6.4
231.17412	5.5
233.15359	4.1
235.04295	2.2
235.13078	1.5
235.15051	2.7
235.16978	1.8
237.16553	3.2
237.18953	1.1
239.17915	3.0
241.15857	2.5
243.17470	2.9
245.13210	1.7
245.15393	9.2
247.14937	1.3
247.17058	3.9
249.16605	3.0
251.17973	3.2
253.19499	1.4
255.17384	1.8
257.15610	2.4
257.18896	1.9
259.17032	2.0
263.16360	1.7
267.17313	1.4
269.19092	2.0
271.16956	1.6
275.17944	2.1
277.19470	1.3
280.06482	1.5
315.21255	1.2
337.21527	1.4
343.24634	1.6
355.09531	6.9
359.23441	1.6
361.25296	1.3
371.27466	2.8
383.27359	3.2
389.28430	4.8
391.30258	2.1
401.28445	13.5
403.30231	2.8
407.29526	3.5
417.27914	2.6
419.29425	20.7
420.29758	2.1
421.31400	1.9
429.27951	5.8
435.28870	8.6
437.30508	18.4
447.29016	18.7
448.29364	2.9
453.30267	2.1
455.31558	2.1
465.29971	33.9
465.36551	1.9
466.30377	3.0
483.19525	12.2
483.31100	71.8
484.18155	1.9
484.31454	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	483.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05515	3.2
57.07066	1.4
67.05504	4.8
69.07072	5.7
69.23389	3.0
69.23800	0.7
77.03907	0.5
79.05493	7.0
81.07060	14.0
83.08602	1.6
85.06536	0.8
87.34548	0.4
89.06032	2.7
90.06323	0.5
91.05476	6.9
93.07045	14.1
95.04967	1.6
95.08607	14.4
96.08908	0.6
97.06523	2.0
97.10180	0.9
99.08074	2.1
105.04528	0.8
105.06374	0.7
105.07036	8.5
107.04939	1.5
107.08596	16.1
109.06502	1.5
109.10157	12.5
111.08085	3.6
111.11728	0.5
117.07032	1.4
119.07774	0.8
119.08582	11.9
120.08951	0.5
121.06509	47.4
121.10143	15.0
121.11016	0.9
122.06849	1.4
122.10451	0.5
123.08073	8.1
123.11721	9.8
125.05989	11.4
129.06996	0.7
129.28065	0.5
130.07756	0.5
131.08548	2.9
133.08571	1.2
133.10133	15.4
134.08905	0.5
135.08081	2.8
135.11697	4.9
137.13246	0.9
139.07542	14.8
142.07716	0.7
143.08545	1.9
144.09317	0.6
145.10132	6.0
147.08060	1.1
147.10776	0.6
147.11708	6.2
149.09645	2.2
149.13258	19.2
150.13614	0.5
151.11169	0.9
156.09409	0.8
157.10126	2.0
159.08029	1.8
159.11678	3.4
161.09630	3.0
161.13278	7.9
163.07565	1.9
163.11188	0.9
163.14836	3.3
167.10576	0.5
169.10123	0.8
171.11670	2.0
172.12410	0.7
173.09566	2.3
173.13205	3.8
175.11194	4.8
175.14827	2.1
177.09084	1.8
177.16386	1.3
179.10716	1.2
183.11685	0.8
185.13246	1.9
187.11226	1.1
187.14833	7.5
189.12749	12.5
189.16353	6.7
190.13068	0.6
190.16858	0.6
191.10667	1.6
191.14339	1.3
191.17972	5.0
193.12386	0.6
197.13266	1.9
199.11174	0.6
199.14854	1.0
200.12010	0.6
200.56993	0.5
201.12721	1.5
201.16380	1.3
203.10686	0.5
203.14314	1.4
203.17990	0.9
205.15877	2.1
211.14738	0.7
213.12759	0.6
213.16319	0.5
215.14323	12.7
215.17871	1.0
216.14706	0.5
217.15854	2.9
219.13806	6.1
225.16464	0.7
227.14569	0.5
227.17928	0.9
229.15901	0.6
229.19472	0.5
231.17322	0.7
233.15363	100.0
234.15717	5.3
235.16971	0.7
239.17886	0.6
241.19585	1.0
243.17441	1.7
245.15472	0.6
245.19020	1.0
247.16980	1.2
261.18558	3.5
269.19110	1.5
275.20193	3.3
283.17444	0.6
284.17935	1.2
287.20126	3.1
293.36493	0.5
299.19983	1.0
301.21564	3.0
313.21530	1.4
327.23209	1.2
381.27744	0.6
387.70963	0.5
389.10904	0.5
405.31445	1.7
423.32590	25.2
424.32901	1.9
441.33624	0.7
465.33649	1.0
483.34857	15.0
484.34964	1.5
484.63120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05507	3.1
57.07075	1.3
62.96570	0.7
65.03922	0.9
67.05505	6.0
69.03420	1.3
69.07072	6.9
69.10932	5.7
73.49458	0.7
79.05492	7.2
81.07056	13.6
83.08624	3.0
89.06010	1.0
91.05489	6.2
93.07047	12.8
93.98332	0.8
95.04947	2.9
95.08611	21.1
96.08900	1.0
97.06524	3.5
97.10156	1.0
102.70251	0.7
105.07028	15.6
107.04993	1.1
107.08603	16.3
108.71705	0.7
109.06520	1.9
109.10156	9.0
111.08071	2.2
115.05479	0.8
117.07019	1.9
119.08586	37.6
120.08908	1.6
121.06511	4.0
121.10143	10.9
123.08089	1.8
123.11703	4.5
125.05988	8.8
129.07013	1.5
130.07851	1.3
131.08557	11.7
133.06471	0.8
133.10135	26.3
134.10458	3.3
135.08034	3.5
135.11687	8.6
137.09648	1.2
137.13252	1.1
137.69864	0.7
139.07544	10.4
142.07809	0.9
143.08577	5.0
144.09212	0.9
145.10136	14.3
146.10741	0.9
147.07980	1.5
147.11684	18.7
148.12057	1.6
149.09593	1.5
149.13237	2.0
151.11163	0.8
155.08548	1.5
157.10158	4.3
158.10881	1.7
159.08018	2.5
159.11676	6.6
160.12285	1.2
161.09674	1.8
161.13271	5.8
163.11133	1.4
163.14824	2.4
169.10100	2.7
171.11703	4.6
172.12306	0.7
173.09680	4.4
173.13258	22.8
174.13712	1.6
175.11159	2.1
175.14851	5.0
177.09109	1.0
177.12755	2.1
177.16431	1.8
183.11711	4.1
185.09613	1.0
185.13240	2.1
187.11168	2.2
187.14839	3.9
189.16386	100.0
190.16734	4.4
190.35350	0.8
191.14343	4.7
191.18024	1.5
195.11613	1.1
197.13257	2.8
197.74982	0.9
199.11270	1.6
199.14778	1.6
201.12753	27.0
201.16420	2.8
203.14297	1.8
203.17967	3.1
205.19501	3.5
207.17381	1.8
209.13234	1.4
211.14844	0.9
213.12650	0.8
213.16402	2.1
215.14313	54.6
216.14693	2.1
217.15860	7.3
218.16176	1.0
219.13806	55.8
219.17328	2.3
220.14124	2.1
229.15829	3.6
231.17349	1.2
233.15385	17.5
235.16840	2.3
243.17419	2.2
249.18481	17.2
258.22818	1.1
269.18958	3.3
301.21548	0.9
387.30276	0.9
405.31561	6.2
423.32480	10.7
451.28201	0.9
455.35089	1.0
465.33597	16.1
466.33914	1.2
483.34589	43.4
484.35043	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	483.381
Annotation	Unknow
Peak:m/z	Relative Intensity
63.37156	1.0
67.05496	2.1
69.33238	1.4
69.33645	4.8
79.05515	1.1
81.07052	2.6
89.06023	4.9
93.07034	2.6
95.08612	2.7
98.22545	1.0
105.07033	2.6
107.08608	3.4
109.10138	1.6
117.05543	1.5
119.08577	3.2
120.41945	0.9
121.10182	1.3
123.11720	1.4
131.08603	1.7
133.08559	1.8
133.10146	2.1
135.11696	2.3
137.11493	0.9
142.07597	1.0
145.10201	1.1
147.11720	2.2
147.65497	0.9
159.11696	1.5
161.13222	1.4
173.13324	2.0
177.12828	1.2
187.14937	1.0
189.16434	8.0
201.12711	2.2
201.16393	1.1
215.14354	2.7
219.13795	4.1
223.43234	0.9
262.42331	1.1
264.27368	1.0
284.17813	1.3
353.57675	1.1
405.31238	1.5
453.31055	1.9
453.37088	35.1
454.37183	2.6
465.33566	2.0
483.38434	100.0
484.38675	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56903	0.4
55.05510	1.7
57.07080	1.3
63.16018	0.5
67.05511	2.9
69.07065	4.0
69.10703	2.2
69.11118	1.6
69.93169	0.5
70.44701	0.5
79.05495	1.6
81.07056	7.0
83.08636	1.0
89.06040	0.9
91.05508	1.6
93.07043	3.7
95.08608	10.6
97.10183	1.0
98.22535	0.4
105.07008	2.4
107.08595	7.2
107.09276	0.5
109.06520	0.8
109.10156	10.3
109.10902	0.7
109.82686	0.6
111.11719	1.4
119.08564	2.7
121.06523	1.4
121.10146	7.4
123.08081	1.2
123.11711	7.0
131.08618	0.5
133.10138	2.2
135.08096	3.0
135.11682	4.4
137.09615	0.5
137.13292	2.8
143.66504	0.5
145.10100	2.1
147.11728	1.3
149.09642	1.4
149.13287	3.9
159.11716	1.4
161.09645	1.0
161.13290	1.5
163.11221	1.0
163.14877	1.6
167.14162	0.5
169.10103	0.5
171.11597	0.6
173.13297	1.3
175.11205	0.5
175.14877	1.4
177.12787	0.8
177.16388	0.9
185.13287	0.6
187.14879	1.3
189.16429	1.7
191.14340	0.5
191.18033	0.9
195.18085	0.5
199.14890	0.6
201.16457	1.0
203.14421	1.1
203.17999	0.6
205.15913	2.0
205.19534	0.8
219.17470	2.2
231.21101	0.6
241.19562	0.4
287.23740	1.8
301.25204	2.8
331.00110	0.5
367.84644	0.5
405.34976	0.8
423.36127	1.3
483.38342	100.0
484.38678	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.7
57.07075	4.0
60.94404	0.9
65.03920	1.2
67.05507	11.1
69.03429	1.9
69.07065	10.0
69.28426	5.1
70.06569	1.5
70.45274	0.8
71.08613	2.4
72.74536	0.8
79.05482	5.7
81.07063	18.2
83.08617	4.7
88.07629	2.3
89.06053	1.1
91.05479	7.2
93.07046	16.2
95.08605	47.3
96.08932	1.1
97.06541	1.7
97.10178	1.4
99.08094	1.9
100.42953	0.9
101.43395	0.8
102.37319	0.9
105.07030	15.2
107.08592	31.0
109.06519	3.5
109.10159	25.6
111.08083	2.4
111.11707	1.0
113.93218	0.8
117.06997	2.1
119.08577	24.1
120.08899	1.2
121.06531	2.1
121.10139	19.1
123.08070	33.8
123.11706	9.4
125.09624	4.0
131.08562	7.2
133.08621	1.1
133.10127	15.9
135.08040	5.8
135.11705	14.1
137.09633	2.4
137.13257	2.1
143.08585	2.2
145.10121	9.6
147.11690	30.6
149.09622	2.6
149.13258	3.4
151.11203	1.1
151.14882	1.0
157.10120	2.8
159.08046	1.7
159.11682	11.5
160.12059	0.9
161.13248	10.6
163.11194	1.8
163.14841	4.0
171.11690	3.3
173.13246	15.2
174.13977	0.9
175.11215	1.9
175.14832	5.1
177.12775	1.4
177.16411	2.5
183.11716	1.6
185.13266	1.7
187.14742	4.2
189.16377	26.7
190.16759	1.3
191.14302	1.1
191.17967	3.6
197.13196	0.9
199.14775	2.1
200.20146	2.5
201.12715	2.3
201.16373	23.9
201.18169	1.6
203.17979	3.4
205.15863	1.1
207.17328	1.1
213.16331	1.2
215.17953	4.5
217.15811	1.2
217.19440	4.9
219.17442	100.0
220.17737	5.0
225.16423	1.3
227.17865	1.3
228.23308	1.9
233.15337	2.1
233.19019	13.3
239.17667	1.5
243.21016	1.1
245.18933	1.5
249.18481	4.5
251.90442	1.0
255.21106	1.1
257.22784	1.1
269.22592	1.0
273.22006	1.0
283.26352	1.8
311.29382	2.0
395.33188	2.1
405.31021	1.7
405.35535	1.4
423.31985	11.4
441.33401	3.1
465.33295	2.1
483.39050	44.1
484.38602	4.7
484.47144	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08246	3.7
51.11980	3.6
53.14227	3.3
55.05508	26.4
57.07071	13.4
65.03989	4.7
66.39842	3.4
67.05500	26.7
69.07059	43.7
69.13644	31.5
71.08617	10.6
79.05489	21.4
81.07060	56.6
83.05006	4.9
83.08636	19.9
88.07634	4.5
89.06047	9.8
91.05490	16.0
93.07039	37.2
95.05031	4.5
95.08610	100.0
96.08923	4.4
97.06541	3.9
97.10172	11.6
98.22626	7.1
101.29540	3.8
102.09171	5.2
105.07044	29.5
107.08594	68.8
109.06511	6.8
109.10156	72.8
111.08047	4.6
111.11723	9.7
119.08579	47.9
121.06541	11.8
121.10143	58.0
123.08088	11.0
123.11723	30.0
125.05997	7.8
125.09639	5.0
129.07001	6.9
131.08554	15.8
133.10138	48.3
135.08072	13.5
135.11702	32.3
137.13271	14.5
139.07582	11.4
142.07834	3.5
143.08589	8.6
145.10110	29.4
146.59624	3.3
147.11732	26.5
149.09602	6.8
149.13271	10.3
151.14848	11.5
157.10143	15.4
159.11702	25.5
161.09689	10.9
161.13232	22.5
163.14833	10.3
169.10152	4.9
171.11755	11.8
172.12425	4.5
173.13187	18.6
175.14844	13.6
177.12715	6.3
177.16417	9.2
183.11719	8.5
185.13263	10.5
185.48114	3.7
187.14835	20.6
189.11238	5.0
189.12814	11.2
189.16362	33.0
191.14276	5.5
191.17976	16.3
197.13298	8.9
199.14717	6.7
200.20088	4.9
201.16422	11.2
203.17918	12.7
204.41220	5.0
205.15880	4.9
205.19543	11.1
213.16423	5.6
215.14284	10.7
215.17957	12.1
217.15932	5.6
217.19528	10.0
219.17505	23.4
227.12607	4.9
227.17827	7.5
231.17473	7.2
233.15359	52.1
239.17931	4.6
241.19633	6.8
243.21071	7.4
245.22505	5.6
249.18535	4.4
253.19550	4.7
255.21191	4.9
269.22635	13.2
277.18030	6.6
283.26404	6.3
295.24313	4.5
311.29483	5.1
327.23157	5.2
369.52573	3.7
405.30890	6.3
405.35416	10.4
423.31491	21.2
423.36887	11.5
441.33542	5.0
465.37469	39.9
466.37894	5.7
483.37930	36.3
484.37469	4.1
484.47079	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	483.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02329	0.4
53.03917	0.8
55.05516	3.7
57.07037	1.5
65.16305	0.5
67.05502	3.3
69.07072	4.4
79.05486	2.9
81.07060	7.6
83.08582	1.8
89.47596	0.4
89.82343	0.5
91.05473	4.6
93.07039	4.0
95.08612	11.2
97.10121	0.6
102.44720	0.4
103.05412	0.5
104.39288	0.4
105.07031	33.2
106.07343	0.7
107.08594	11.4
109.10162	5.2
110.98467	0.4
117.06992	0.8
119.08584	35.7
120.08882	0.8
121.09413	0.4
121.10143	4.8
123.07939	0.4
123.11649	1.2
131.07880	0.4
131.08574	3.9
133.10129	39.9
134.10434	0.6
135.11594	1.0
135.76263	0.4
145.09044	0.4
145.10123	6.7
146.10840	1.7
147.11687	36.7
148.11987	1.0
159.11633	1.9
160.12492	2.2
161.13268	7.1
162.65234	0.5
174.14059	0.8
175.14754	0.5
175.43069	0.5
189.16383	26.2
190.16711	0.8
207.83327	0.5
219.17482	0.4
277.17981	100.0
278.18341	4.7
401.51862	0.5
483.38364	23.8
484.38858	2.0
484.47247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84442	0.3
53.89275	0.3
55.05507	1.7
57.07062	0.9
63.16083	0.3
67.05510	3.2
69.03416	0.9
69.07069	4.5
69.84324	0.3
79.05504	1.8
81.07060	8.3
83.04996	2.9
83.08641	1.9
83.09042	0.4
83.89424	0.4
91.05483	2.0
93.07055	5.4
95.04973	1.5
95.08610	16.2
96.08997	0.4
97.06517	0.5
97.10175	1.2
98.23353	1.4
105.07037	4.5
107.08595	9.2
109.06541	0.9
109.10160	8.9
111.08086	1.0
111.11731	1.2
111.80724	0.3
117.07064	0.4
119.08578	6.6
121.06526	1.1
121.10152	9.0
123.08044	2.5
123.11718	5.3
125.09639	0.5
131.08582	1.5
133.10135	6.3
135.08058	3.6
135.11699	9.5
137.09636	1.1
137.13264	3.8
139.11185	0.7
143.08549	0.5
145.10124	1.9
147.08041	0.4
147.11685	4.4
149.09628	11.6
149.13274	2.5
150.09958	0.6
151.14807	0.4
157.10124	0.7
159.11673	2.4
161.09616	0.7
161.13258	3.2
163.11197	1.1
163.14870	1.3
165.12825	0.5
171.11700	0.6
173.13239	1.8
175.11220	1.0
175.14836	2.9
177.12804	0.8
177.16385	3.4
185.13348	0.5
187.14857	1.4
189.12865	0.6
189.16409	6.9
191.14392	0.5
191.17935	3.9
193.16042	0.3
196.95781	0.4
199.14859	0.7
201.16388	0.8
203.14317	0.4
203.17975	0.5
205.16011	0.4
205.19537	1.0
209.19165	0.4
213.16415	1.0
215.17979	2.7
217.15942	0.5
219.17412	0.3
227.17961	0.6
229.19577	0.8
229.37450	0.4
231.17485	1.2
233.19000	5.6
243.21118	0.9
245.19089	1.0
255.21149	0.4
259.20517	0.5
259.24332	0.7
261.22040	0.7
269.22702	0.8
277.17978	5.8
281.22485	0.4
284.29398	0.3
285.22180	0.7
287.23721	5.6
307.43588	0.3
345.24219	0.8
377.58884	0.3
405.35080	1.1
423.36133	2.2
483.38351	100.0
484.38699	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	483.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86761	3.2
55.05506	18.5
57.07074	8.8
67.05516	26.2
69.07078	31.0
69.20979	13.0
69.21378	10.5
70.06564	4.1
79.05015	3.6
79.05460	20.5
81.07062	61.3
82.36156	3.8
83.08617	7.9
88.07632	5.7
89.06034	11.7
91.05492	10.3
93.07040	22.7
95.08609	100.0
97.10155	8.8
105.07047	20.2
107.08598	62.1
109.10159	67.7
111.11726	12.3
119.08576	33.3
121.10128	51.3
123.08063	13.5
123.11716	33.4
125.09628	4.1
131.08559	7.6
133.08560	3.9
133.10150	31.1
133.11086	4.4
135.08086	8.9
135.11681	24.2
137.13234	19.6
143.08629	3.8
145.10117	16.1
147.11719	29.2
149.09605	6.8
149.13271	16.1
151.11172	4.3
157.10135	7.9
159.11719	18.0
161.13214	20.2
163.14836	16.5
171.11694	6.0
173.13303	13.4
175.14789	23.7
177.16402	30.1
182.41051	3.4
187.14806	10.5
189.16422	12.4
191.14417	5.1
191.17935	13.7
199.14847	8.7
200.20036	4.7
201.16383	10.8
203.17944	12.0
205.19597	11.0
207.17551	5.1
213.16365	6.9
215.18036	5.4
217.15901	14.9
217.19505	13.4
219.17450	53.0
219.20792	4.2
229.19470	4.8
231.17412	6.3
231.21017	18.3
233.19014	13.1
259.20657	4.3
269.22543	7.3
297.61749	3.9
345.24277	4.4
379.71381	3.6
405.35156	22.0
423.36063	50.4
424.36414	4.3
475.98907	4.0
483.38452	58.1
484.39908	3.9
484.47141	15.9
487.47037	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	483.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.05512	2.9
57.07078	1.1
65.03933	0.7
67.05508	4.6
69.07073	4.9
71.08624	0.7
79.05490	2.4
81.07056	7.1
83.08609	2.9
89.06025	0.6
91.05460	3.5
93.07050	6.9
95.08611	16.4
97.06528	0.7
97.10176	1.8
99.08115	1.2
105.07030	5.7
107.08597	21.2
108.08900	0.7
109.06492	1.5
109.10168	10.2
111.08089	1.5
111.11749	1.0
117.06999	0.6
119.07768	1.0
119.08584	13.7
121.09292	1.1
121.10143	17.3
123.08080	2.2
123.11715	4.5
125.09645	0.6
131.08557	1.9
133.10146	8.1
135.08096	1.2
135.11710	10.0
137.09613	1.1
145.10126	4.0
147.11700	3.7
149.09645	4.1
149.13272	3.2
151.11221	1.0
159.11719	5.0
161.13286	7.1
163.11166	1.4
163.14828	0.9
171.11720	1.0
173.13268	3.4
175.14830	10.3
176.15329	0.5
177.12842	1.1
177.16388	31.6
178.16733	1.3
187.14868	1.3
189.16403	4.8
191.14330	1.3
191.17950	5.1
199.14774	0.8
201.16417	5.1
203.11949	0.6
203.17957	2.5
205.15788	1.2
215.17961	1.4
217.19601	1.0
219.17448	100.0
220.17795	3.6
225.16339	0.7
231.17378	1.5
233.19032	7.6
269.23898	0.5
274.60046	0.6
308.76321	0.6
405.34869	0.8
423.36218	4.1
433.81415	0.6
465.36884	1.0
483.38425	12.7
484.38721	1.0
484.46503	0.8
509.78156	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.6
53.00302	2.9
53.03946	9.0
55.01876	10.8
55.05507	4.9
57.03434	6.3
58.87753	1.1
59.23621	1.2
61.02942	5.5
65.03939	26.5
67.05511	9.2
68.99792	4.8
69.03433	49.4
69.07068	3.2
69.20616	9.4
69.36600	1.2
71.04996	37.0
73.02917	5.9
77.03937	1.6
79.05495	23.4
81.03423	26.5
81.07062	8.1
83.04983	1.2
85.02909	98.4
86.03224	1.7
87.00831	55.0
87.04469	1.9
91.03968	1.9
91.05482	40.0
92.05805	1.4
92.12454	1.2
93.03410	100.0
93.07053	11.6
94.03717	2.2
95.04976	10.4
95.08618	11.6
97.02898	38.9
97.06554	3.9
99.04452	15.0
103.05491	3.2
105.01871	77.7
105.07037	18.5
107.04971	6.1
107.08592	11.2
108.04490	2.4
109.02884	27.5
109.06532	2.8
109.10183	2.8
111.04437	1.3
111.08088	1.3
115.03988	1.5
115.05454	15.5
116.06254	5.9
117.01859	3.5
117.07016	15.8
119.04958	1.2
119.08578	16.9
121.06536	9.2
121.10133	3.5
127.03919	75.3
128.04333	1.2
128.06204	14.0
129.01830	3.1
129.07008	17.5
130.07718	1.3
131.04944	4.7
131.08572	21.7
133.06557	2.3
133.10155	5.4
135.08066	11.5
141.07016	13.3
142.07784	10.0
143.08568	11.7
145.04965	39.2
145.06456	5.3
145.10133	10.3
147.02858	2.7
147.08067	4.0
147.11682	2.2
152.06271	1.8
153.06996	11.1
154.07770	3.4
155.06099	2.3
155.08563	14.5
156.09338	2.0
157.06479	3.5
157.10167	5.8
158.07393	1.6
159.02881	14.0
159.08060	5.8
159.11723	3.7
161.09660	1.5
161.13251	3.4
165.07045	3.4
167.08652	5.9
168.09358	2.6
169.06416	2.2
169.10115	3.9
171.02893	2.0
171.08043	3.6
171.11720	3.6
173.09642	5.4
173.13286	5.0
175.14813	2.2
179.08488	1.5
181.10168	2.6
182.07156	1.3
183.08124	3.4
183.11758	2.5
185.09552	1.4
187.14835	5.8
189.03957	3.7
195.11577	1.5
197.09590	1.8
197.13304	2.5
199.11182	3.7
199.14877	2.0
201.12784	14.0
201.16315	1.9
203.14317	4.9
205.15976	2.2
206.11179	1.3
211.11134	1.5
213.04001	4.3
213.12746	1.8
213.16466	1.7
217.15881	2.6
221.09683	1.6
225.12715	1.8
229.15974	1.9
231.05013	24.2
231.17326	1.7
243.13895	2.8
249.06070	10.1
255.13788	1.8
273.14853	1.8
291.13742	1.3
309.14853	1.9
367.26791	1.4
393.31454	1.5
395.15335	1.4
403.29770	1.5
421.31036	1.8
467.31488	2.3
485.32675	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	2.8
53.03938	8.0
55.01865	8.1
55.05506	4.6
56.48166	1.4
57.03429	6.3
61.02921	3.1
64.54243	1.5
65.03946	20.2
67.05486	6.0
68.99784	4.3
69.03431	39.5
69.07064	2.2
69.12464	10.5
71.04993	37.2
73.02917	4.6
77.03917	1.7
79.05488	17.9
81.03420	21.4
81.07045	5.3
82.43372	1.4
85.02907	81.7
87.00827	36.6
87.04507	2.0
87.42822	1.5
91.05485	38.9
93.03407	100.0
93.07063	8.6
95.04977	7.3
95.08601	7.4
97.02889	26.9
97.06515	1.6
98.23286	2.6
99.04462	12.2
103.03958	1.6
103.05446	2.5
105.01869	53.3
105.02559	3.2
105.04535	1.7
105.07034	16.1
107.04973	5.0
107.08599	5.5
109.02870	23.6
109.06504	2.7
115.05477	13.7
116.06241	4.5
117.01836	1.7
117.07023	15.2
119.04899	2.1
119.08577	6.9
121.06508	6.6
121.10154	2.1
126.05538	1.7
127.03921	54.5
128.06210	14.8
129.01875	4.4
129.07019	17.3
130.07751	2.7
131.04948	5.7
131.08582	18.0
133.06490	2.5
133.10162	3.0
135.08012	7.6
141.06952	11.4
142.07794	8.7
143.08545	7.1
144.09329	2.2
145.04968	30.7
145.06458	6.3
145.10133	8.6
147.02898	1.8
147.08051	3.0
152.06189	2.3
153.06999	12.8
154.07817	3.7
155.06029	1.6
155.08531	12.4
157.06468	3.3
157.10123	6.6
158.07249	2.2
159.02907	11.5
159.08125	8.6
159.11685	1.9
161.13316	1.9
165.06998	4.2
167.08559	5.9
168.09329	4.0
169.10188	3.1
171.08063	4.5
171.11745	4.3
173.09642	5.5
173.13260	2.3
181.10182	3.2
183.08072	2.7
183.11682	3.9
187.14886	3.1
189.03972	3.3
197.09674	2.6
199.11301	3.2
200.03996	1.6
201.12732	10.3
211.11021	1.9
213.03947	3.5
213.09102	2.2
213.12766	2.0
215.10602	1.8
215.14308	2.2
223.11148	1.9
231.05005	19.0
249.06012	6.0
255.13826	2.8
284.09827	2.2
309.14777	2.9
309.18216	1.6
317.50052	1.7
467.32513	1.8
485.32419	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	484.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.5
55.01869	10.9
55.05506	5.0
57.03069	2.9
57.03434	4.5
57.09076	3.3
61.02927	4.7
65.03944	23.8
67.05501	6.7
69.03433	41.1
69.14468	11.0
69.14892	11.2
71.04991	36.7
72.43385	2.8
79.05486	23.5
81.03416	23.6
81.07062	7.7
83.05000	3.7
85.02909	82.8
87.00828	30.6
91.05482	47.8
93.03407	100.0
93.07056	6.4
95.04980	7.4
97.02903	30.5
99.04465	8.9
103.05456	7.3
105.01874	44.7
105.07029	25.2
107.08607	5.8
109.02853	22.4
115.05456	21.6
116.06223	7.5
117.07024	21.4
119.08594	6.5
121.06516	11.3
127.03912	46.9
128.06209	14.3
129.07011	24.7
131.04921	4.9
131.08592	29.4
135.08092	10.3
141.07010	17.6
142.07793	10.4
143.08578	8.8
144.05713	4.8
145.04968	27.6
145.06509	10.4
145.10156	7.6
147.07971	4.2
152.40277	3.6
153.07001	12.8
155.08563	14.6
157.06517	3.9
157.10184	3.3
159.02953	11.0
159.08090	11.1
168.09248	3.2
169.97821	2.9
171.08073	7.1
172.08870	3.3
173.09639	7.0
182.34479	4.1
183.08061	3.1
201.12709	16.6
231.05042	19.1
245.35382	3.1
249.06137	6.7
442.28464	3.1
461.63721	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	484.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	50.5
55.05503	19.8
69.03419	31.3
69.15466	100.0
73.38431	11.7
79.05483	25.2
81.03442	11.9
81.07065	13.9
84.03869	12.1
85.02908	30.3
87.00828	17.1
89.38621	13.1
91.05491	28.4
97.02881	15.9
105.07041	26.1
107.08574	12.7
111.08092	87.9
121.06516	13.4
126.60235	11.3
127.03944	28.9
131.08606	14.3
135.08063	18.0
142.69341	12.4
157.64998	12.0
181.97423	12.5
203.30498	13.6
309.96790	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	484.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00945	0.5
53.03938	1.9
55.01875	1.6
55.05508	4.1
57.03426	1.9
57.07064	1.0
59.04990	2.2
61.02914	2.4
65.03943	1.1
67.05491	1.3
69.03429	10.1
69.07059	2.1
69.16920	3.7
70.06591	2.0
71.04982	2.3
73.02919	1.6
73.75946	0.6
79.05499	5.9
81.03417	3.2
81.07055	19.4
83.04987	1.2
83.08624	0.9
83.47977	0.5
85.02907	26.0
85.06538	1.4
86.09686	0.8
86.24219	0.5
87.04466	0.8
91.03970	0.8
91.05486	1.9
95.04993	0.7
95.08601	1.7
97.02895	9.1
97.06520	1.1
97.10165	9.9
97.63177	0.5
98.06028	0.5
99.04440	0.9
105.07022	1.1
107.08585	7.8
109.02876	1.8
109.10149	1.9
111.08120	0.8
119.08543	0.7
123.04432	1.3
125.09629	100.0
126.09158	1.1
126.10017	2.0
127.03906	7.0
127.11182	3.8
137.06039	0.9
137.09613	1.8
143.10678	20.1
145.04932	6.4
151.07555	0.7
155.03392	1.1
155.10667	2.5
155.14362	0.8
163.06052	3.2
165.70126	0.6
173.11714	1.8
173.15277	0.6
179.03419	1.1
197.04469	0.8
223.07555	2.5
245.06755	0.6
266.36813	0.6
269.08002	0.6
269.13943	2.8
287.14883	6.4
305.15976	7.0
322.12833	0.9
325.11169	1.8
366.33044	0.6
411.18744	0.6
425.13220	1.2
484.14713	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15903	4.7
53.00307	4.6
53.03944	17.5
54.11237	4.4
55.01867	16.1
55.05517	15.9
57.03444	8.0
59.04987	4.9
61.02941	9.0
65.03935	19.0
67.05504	55.0
69.03434	61.9
69.07075	16.9
69.33580	28.6
71.04974	9.0
73.02902	7.2
79.05489	56.6
81.03428	17.0
81.07060	56.5
83.04967	15.7
83.08583	5.7
84.04540	6.1
85.02907	51.5
85.06554	6.0
87.04481	13.7
91.05481	88.9
93.03410	54.1
93.07060	44.0
95.04969	24.0
95.08612	100.0
97.02892	15.6
97.06535	10.8
99.04449	12.2
103.05475	10.5
105.04498	6.0
105.07034	88.4
107.04970	14.4
107.08611	20.3
109.06531	14.4
109.10178	13.6
111.04420	9.7
111.08096	7.4
113.05979	5.4
115.03917	5.8
115.05478	14.5
117.07003	21.9
119.04903	6.1
119.08585	49.8
121.06507	43.8
121.10137	21.6
123.08102	8.2
127.03921	10.5
127.07565	5.7
128.06206	15.2
129.06993	30.5
131.04886	6.2
131.08582	47.5
133.06490	13.9
133.10132	42.3
135.08069	5.7
135.11720	7.4
137.05946	6.3
137.09631	6.3
139.25488	5.2
141.06989	7.9
141.09067	4.9
142.07782	12.7
143.08571	23.8
145.04976	10.8
145.06482	5.3
145.10153	24.8
147.08031	29.3
147.11697	15.4
149.09596	8.5
151.11122	12.2
153.07018	7.4
154.07785	7.8
155.08530	8.9
157.10187	26.3
159.08080	5.8
159.10229	13.3
159.11708	16.8
160.08749	5.2
161.09593	17.4
165.06961	7.9
169.10143	13.4
169.12228	7.4
171.11722	13.5
173.09621	11.8
173.13191	6.5
175.11263	15.8
181.10130	5.2
183.11678	8.1
185.13257	8.4
187.11247	6.6
187.14766	6.7
193.12320	5.6
211.11267	5.2
211.13293	15.6
213.16246	4.4
223.14827	5.8
256.15424	21.1
259.16937	32.6
277.17990	9.8
287.05524	7.1
305.17487	35.6
437.26913	6.8
484.28702	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	484.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.8
55.05525	2.0
57.03444	5.3
59.05011	1.9
61.02929	4.1
67.05517	3.1
69.03432	10.6
69.07069	5.5
70.53042	2.5
71.08634	44.1
71.46926	0.9
71.56764	0.9
73.02918	18.4
73.03308	1.5
78.57958	1.0
79.05524	1.4
81.07063	3.2
85.02906	23.1
87.04457	1.6
91.05497	2.3
93.07039	4.9
95.04974	4.2
95.08610	9.2
97.02890	17.4
98.03259	1.3
99.04459	1.5
99.08094	100.0
100.08422	1.9
103.03974	1.0
105.07007	6.5
107.08617	4.0
109.02911	1.8
109.10146	1.9
111.08113	0.9
115.03944	5.9
119.08582	9.2
121.06570	1.6
121.10189	2.9
127.03939	5.0
129.12761	9.5
131.08543	2.9
133.04971	8.6
133.10139	2.6
134.63879	1.0
135.11768	1.3
143.08594	2.2
145.04971	7.0
145.10130	5.8
147.11679	1.5
154.32634	0.9
155.08482	1.8
155.14362	1.6
157.10088	1.6
159.11668	2.6
161.13324	3.1
163.06062	2.5
171.11740	1.5
173.15373	66.5
174.15770	2.4
177.12642	0.9
177.16307	1.1
182.02238	1.2
183.11797	1.1
185.13210	1.0
187.14876	5.4
189.12744	1.3
189.16428	1.4
201.16325	1.6
203.14267	5.0
213.16423	1.4
215.14363	1.3
217.15887	1.4
241.07146	1.5
323.90485	1.0
361.14737	1.1
467.31555	1.5
485.32526	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01865	3.2
55.05503	3.2
57.03432	4.3
57.07075	55.8
59.04994	0.8
61.02919	2.9
62.16885	0.7
67.05499	2.8
69.03429	11.1
69.07058	1.5
71.01363	0.7
71.04994	4.9
71.30873	0.9
73.02917	10.8
79.05491	2.8
81.03419	6.4
81.07054	7.8
83.04973	0.9
85.02908	18.3
85.06545	14.5
87.00839	1.7
87.04468	1.2
91.05496	3.6
93.07058	4.2
95.04964	2.3
95.08589	5.8
97.02885	11.2
97.06511	1.2
99.04444	2.8
99.08083	1.2
105.01851	1.1
105.07026	5.9
106.07358	1.0
107.04987	1.0
107.08599	5.2
109.02868	4.9
109.06525	2.5
109.10148	3.1
111.08086	0.8
115.03925	2.8
117.07007	1.8
119.08575	5.3
121.06494	1.2
121.10175	3.7
123.08090	1.0
123.11700	1.4
125.05958	0.8
127.03921	8.9
127.07560	0.8
127.11152	0.8
129.07014	1.0
131.08574	2.8
133.04958	3.6
133.10121	4.8
135.08049	1.8
135.11726	2.0
137.09520	0.7
137.13263	3.2
143.08482	1.3
144.09267	1.1
145.04945	4.5
145.10132	3.3
147.08028	1.1
147.11688	2.6
149.09604	1.2
151.11182	1.1
155.14307	100.0
156.14644	3.5
157.10135	1.4
158.10733	0.8
159.02916	0.9
159.11649	5.6
161.09651	1.1
161.13213	1.0
163.07510	1.5
163.11195	1.2
169.08601	1.2
169.10089	1.1
173.13168	1.6
173.15375	34.3
174.15678	1.0
175.11119	1.0
175.14835	1.2
177.12807	1.8
185.13174	1.0
187.14839	1.7
189.12654	0.7
189.16414	0.7
191.14253	0.9
195.11501	0.8
201.12604	0.9
201.16385	1.3
203.14326	1.7
204.12039	0.7
210.46381	0.7
219.13763	5.0
219.17384	1.7
231.05019	1.2
237.14796	2.2
237.18533	1.0
241.07019	0.7
259.07971	0.8
329.49951	0.7
399.20212	1.0
441.21158	1.6
484.17960	1.2
484.31284	1.0
485.20657	7.0
485.32404	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.1
57.07076	31.7
58.75729	1.3
61.86957	1.1
69.07061	2.0
71.08635	29.6
73.06563	6.6
83.08623	2.7
85.10187	27.5
87.03961	1.3
87.04453	2.9
88.92719	1.2
89.06035	100.0
96.36905	1.3
99.11742	3.5
106.36701	1.4
107.07068	3.7
117.09152	4.1
130.08646	2.4
133.08609	47.8
133.09599	2.6
136.40976	1.3
136.93121	2.5
141.16423	4.4
150.95660	1.3
168.95824	2.0
172.95203	1.7
177.11232	18.4
185.19064	6.6
186.96829	4.5
204.97891	2.2
221.13934	2.4
229.21623	11.1
239.14940	1.8
273.24194	5.7
283.17374	1.7
317.17899	5.2
327.20248	6.0
335.19006	1.9
394.61227	1.4
464.11469	1.5
467.35803	9.9
485.32635	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.8
57.07071	16.4
67.05511	4.3
67.29488	1.9
68.82517	2.1
69.07068	5.8
70.06597	13.2
71.08638	8.9
71.22385	3.8
73.02926	2.7
81.07049	9.7
83.08629	2.7
83.97469	2.0
88.07647	19.4
91.05479	2.9
93.07060	5.7
95.08613	21.7
97.10188	5.8
99.55128	1.9
102.09181	13.3
105.07042	2.7
107.08624	12.8
109.10170	8.1
111.11720	2.3
113.58479	1.9
119.08598	9.8
119.36781	2.0
121.10156	8.9
123.08091	8.0
123.11733	5.5
131.08586	2.5
133.10161	6.5
135.08052	3.4
135.11722	7.5
137.09595	4.5
145.10165	4.2
147.11731	6.9
149.09618	4.8
150.10446	6.8
151.11189	4.1
159.11673	6.4
161.13307	2.9
163.11232	3.8
173.13301	3.3
177.12811	4.8
186.07329	2.2
189.16415	6.3
191.17950	4.4
200.20096	12.9
201.16414	5.9
219.17458	22.3
228.23247	30.1
234.19803	33.7
239.18262	2.2
256.26443	2.4
283.26343	30.7
294.57803	2.3
311.29422	17.6
398.80222	2.1
469.36807	86.1
470.37137	7.9
484.38995	11.0
484.47256	100.0
485.47632	5.4
500.67361	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42681	0.3
55.05508	2.1
57.07082	14.8
58.06573	1.5
67.05509	3.6
69.07076	3.2
69.25619	1.2
69.26043	1.3
69.59258	0.3
70.06598	13.3
70.07388	0.4
71.08636	7.7
72.08136	0.3
73.02897	1.4
79.05470	1.2
81.07064	4.6
83.08633	2.5
84.08141	0.4
85.06519	0.6
85.10189	3.7
87.04452	0.3
88.07638	17.6
89.07946	0.3
91.05445	1.1
93.07060	1.8
95.08616	5.7
96.08929	0.6
97.06540	0.6
97.10152	1.1
102.09189	11.7
105.07004	1.4
106.07262	0.3
106.08630	0.9
107.08615	2.2
108.08865	0.5
109.10170	2.6
111.08054	0.4
111.11767	0.3
119.08590	2.2
120.08893	0.6
121.06502	0.4
122.10440	0.5
123.11712	1.8
125.05904	0.5
125.09646	0.4
131.08531	0.4
133.10136	2.3
134.10451	0.7
135.11674	1.3
136.54474	0.3
137.13268	0.4
139.07539	0.4
145.10109	0.7
147.11664	1.1
148.12051	0.4
149.09561	0.8
149.13255	0.7
151.07584	0.3
151.14857	0.4
155.32944	0.4
157.10121	0.6
159.11638	0.5
161.13278	0.8
163.14749	0.6
171.11664	0.7
172.12143	0.3
173.13174	0.8
175.11182	1.0
175.14778	0.9
177.12851	0.4
184.20580	0.5
187.14778	0.9
189.16370	2.0
190.16838	0.5
191.17934	0.9
200.71181	0.3
201.12724	0.5
202.21669	0.5
203.14354	0.4
205.15829	0.6
215.14247	0.7
217.15857	1.2
218.16266	0.4
219.17459	0.4
220.14305	0.4
228.23238	43.7
229.23572	1.4
233.15469	1.7
234.15694	1.3
246.24310	4.1
248.02962	0.3
255.23212	5.1
256.26352	4.0
271.20468	0.5
283.26328	48.8
284.26791	2.1
284.29465	0.3
424.32932	1.9
484.35330	4.2
484.47275	100.0
485.35916	1.5
485.47598	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.6
55.01882	14.7
55.05511	23.8
57.03443	9.2
57.07071	3.7
57.86228	3.3
61.02909	6.1
65.88570	2.9
67.05511	35.1
68.99803	4.8
69.03433	36.7
69.07062	16.6
71.04998	22.7
71.20868	5.2
72.08125	4.6
72.28335	2.9
73.02927	6.2
75.88794	3.2
79.05499	30.7
81.03409	25.5
81.07064	100.0
83.04991	8.3
83.08646	3.6
85.02916	65.9
85.06531	10.4
86.09718	5.9
87.00829	17.6
91.05479	37.6
93.07052	64.1
95.04979	16.9
95.08611	47.4
97.02897	25.7
97.06548	10.3
99.04456	10.1
99.08098	18.0
100.35571	3.0
101.02391	4.5
103.03922	3.8
103.05435	4.4
105.01891	11.8
105.07041	88.4
106.07350	3.2
107.04964	5.5
107.08599	46.7
109.02908	20.6
109.06541	12.1
109.10165	48.1
111.08086	6.9
115.03960	8.3
115.05499	3.7
117.07021	9.9
119.04923	3.3
119.08588	57.6
121.06522	7.3
121.10146	42.1
123.04449	3.3
123.08071	12.2
123.11707	19.2
125.05983	3.6
125.09634	25.9
127.03929	38.3
127.07555	14.9
127.11261	9.9
129.01880	3.5
129.07014	6.2
131.08562	28.0
133.10138	67.7
134.10477	4.6
135.08051	7.3
135.11681	17.9
137.09624	15.2
143.08569	11.0
143.10692	8.6
145.04971	10.6
145.10126	40.3
145.12187	5.1
147.02910	3.7
147.04492	4.4
147.08057	7.2
147.11703	46.6
149.09628	6.6
149.13301	7.4
151.11206	10.3
155.10719	5.7
156.09457	3.2
157.10136	19.2
159.02892	8.4
159.08084	4.3
159.11703	30.3
161.09660	5.1
161.13229	16.7
163.11208	8.7
167.10643	5.8
171.11734	8.3
173.09639	3.9
173.13278	12.0
175.14842	6.3
179.10812	3.1
183.11655	10.4
185.13260	11.7
186.55925	3.2
187.14806	16.1
189.16504	3.9
191.17982	4.5
195.11761	3.5
197.13231	5.5
199.14825	9.4
201.12720	3.5
201.16362	25.7
203.14282	5.8
203.18007	9.6
205.15877	5.0
215.18034	3.5
219.13893	4.5
219.17441	43.6
231.05051	4.6
237.18533	12.8
241.19759	3.6
332.90509	3.4
441.21060	7.7
467.18158	4.5
467.31744	5.4
485.18982	21.0
485.24847	4.2
485.32269	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	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	13.8
55.01870	11.8
55.05515	12.2
57.03430	4.7
59.05016	4.5
61.02915	5.6
64.07558	3.3
67.05511	28.8
68.99789	3.4
69.03429	37.6
69.03779	4.6
69.07066	13.2
70.06565	3.2
70.66016	6.4
70.66352	2.7
71.04990	18.9
73.02929	4.7
79.05497	21.5
81.03415	33.5
81.07059	78.7
83.04995	5.7
83.08602	4.9
85.02431	4.8
85.02906	57.7
85.06524	4.2
87.00832	24.3
91.04018	3.4
91.05484	21.3
93.07044	83.2
95.04961	12.7
95.08608	45.7
97.02900	22.9
97.06519	34.5
99.04463	9.1
99.08097	3.1
105.01882	7.6
105.07028	47.3
107.04939	3.1
107.08597	30.7
109.02879	20.8
109.06541	17.5
109.10133	28.1
109.48188	2.7
111.04484	5.0
111.08084	8.3
113.06048	6.1
115.03927	5.4
117.07024	7.9
119.08583	38.2
121.06550	3.8
121.10139	30.0
123.08080	31.4
123.11707	33.5
125.09641	10.7
127.03917	33.0
127.07510	5.0
129.01814	5.1
129.07040	3.6
131.08585	16.4
133.10144	34.4
135.08083	3.6
135.11711	8.9
137.06039	16.8
137.09624	11.1
142.07773	4.3
143.08531	5.2
143.10629	3.2
145.04942	10.1
145.10124	22.5
147.11690	35.1
149.09637	9.1
149.13228	6.1
151.11208	25.5
155.08557	4.2
157.10133	8.9
157.44382	2.7
159.02919	14.8
159.08109	3.0
159.11688	30.0
161.09671	4.7
161.13226	10.3
163.11183	10.3
171.11717	6.2
173.13286	5.5
175.11201	3.7
177.12715	5.5
181.10255	3.5
185.13248	6.3
187.14795	5.8
189.12892	4.0
191.14355	3.9
191.17874	3.2
198.55850	3.1
199.07556	4.9
201.16341	21.6
203.10611	5.1
203.17982	4.5
213.12831	4.7
217.15918	6.6
218.81232	2.5
219.17444	100.0
228.52718	2.8
231.04976	5.6
237.18452	6.8
239.02869	3.0
247.16815	3.0
259.07553	3.4
291.10016	4.6
295.13226	3.4
323.12677	8.3
381.22644	3.1
467.22543	5.5
485.24106	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
53.03950	7.0
55.01871	7.6
55.05516	17.1
57.03426	5.0
57.07077	3.4
60.69326	1.8
61.02930	3.0
65.03923	1.9
67.05512	30.6
68.99796	3.5
69.03433	27.0
69.07064	12.9
69.12124	14.5
71.01375	2.1
71.04994	21.7
73.02913	3.9
79.05497	25.3
81.03431	13.1
81.07061	92.6
83.04991	8.8
83.08624	6.3
83.09695	1.8
85.02909	38.6
85.06527	4.3
87.00825	17.3
91.05487	33.0
93.07051	47.5
95.04977	14.3
95.08613	53.9
97.02896	16.0
97.06539	10.1
97.10155	2.3
99.04444	6.0
99.08087	16.8
99.08677	2.3
103.05477	2.4
105.01870	9.0
105.07035	100.0
107.04979	3.0
107.08596	43.7
109.02834	10.7
109.06542	7.9
109.10161	49.4
111.04444	1.8
111.08070	4.2
115.03937	5.9
115.05467	3.2
117.07040	11.1
119.08585	63.1
121.06540	2.6
121.10160	37.6
123.08033	4.9
123.11721	20.2
124.83406	1.8
125.09632	38.0
127.03909	16.5
127.07565	20.1
127.11202	3.9
129.01871	4.4
129.07036	5.2
130.07753	1.9
131.08575	22.4
133.06592	2.9
133.10138	80.1
134.10516	2.7
134.35172	1.8
135.08102	2.1
135.11697	11.4
137.09631	13.3
139.11151	3.8
141.07069	2.7
142.07762	4.7
143.08592	9.8
143.10669	22.8
144.09373	2.5
145.04962	4.1
145.10135	27.7
147.08084	3.3
147.11702	56.1
148.12006	2.4
149.09660	7.3
149.13269	7.0
151.11171	5.6
155.08542	2.3
157.10110	10.2
159.02870	5.9
159.11719	22.6
161.09631	3.9
161.13229	15.9
163.11160	4.5
167.10690	3.6
169.10056	3.3
171.11679	3.7
173.09726	3.3
173.13289	11.1
175.11205	5.7
175.14796	6.0
177.12730	3.7
177.16322	2.8
179.10736	1.8
183.11661	3.5
185.13287	3.9
187.11238	3.3
187.14832	9.5
189.12761	2.8
189.16347	2.1
191.14200	1.8
191.17979	2.3
193.15807	2.2
199.14821	3.9
201.03987	2.5
201.12827	3.0
201.16403	19.7
203.14328	7.7
203.17957	15.3
205.15886	2.9
211.14914	2.6
213.16359	4.4
217.15836	3.5
219.17445	41.9
220.17732	2.8
221.19022	2.7
225.16458	2.5
231.04984	4.8
233.11771	3.9
237.18330	10.4
243.17455	3.2
421.31064	2.1
449.21555	2.5
467.31311	5.6
485.32599	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.8
53.89067	2.9
55.01872	9.9
55.05527	16.4
57.03436	5.8
61.01108	2.7
61.02924	5.2
64.99247	2.7
65.03962	3.7
67.05508	33.0
68.99763	2.9
69.03431	36.2
69.07072	14.3
70.06608	3.4
71.04987	27.4
71.10651	5.0
72.29394	2.9
74.67960	3.3
79.05500	33.7
81.03436	23.8
81.07059	100.0
83.04986	7.3
83.08614	4.6
83.30052	3.1
85.02912	51.6
85.06541	4.3
87.00842	22.5
87.04474	3.8
91.05480	37.0
93.00222	2.7
93.07051	52.8
95.04979	12.2
95.08614	47.3
97.02901	19.5
97.06532	13.3
98.97621	3.1
99.04440	10.6
99.08096	21.7
103.05477	3.4
105.01889	8.4
105.07037	89.1
106.07426	4.1
107.08596	45.2
109.02891	20.4
109.06516	12.5
109.10156	58.3
115.03960	7.6
115.05447	3.2
117.07040	6.9
117.14945	3.4
119.08582	46.4
120.08846	3.5
121.06509	7.8
121.10156	41.2
123.08058	10.3
123.11704	25.1
123.20077	3.0
125.09627	38.7
127.03939	22.4
127.07565	19.1
127.11202	11.6
129.01852	5.2
129.07007	8.1
131.08548	22.8
133.10136	79.2
135.08014	3.8
135.11702	13.3
137.05992	6.3
137.09642	20.4
139.11171	4.2
139.68080	2.8
141.00340	3.0
143.08583	8.7
143.10654	14.1
145.05072	6.0
145.10114	30.3
147.11694	55.7
149.09602	6.5
149.13292	8.1
151.11185	15.0
157.10144	6.3
159.02925	10.2
159.11687	24.8
161.13261	17.1
163.11160	8.6
167.10677	3.9
169.10126	3.6
171.11713	6.9
173.13309	6.4
175.11203	6.9
181.10031	3.3
183.11781	3.0
185.13158	2.9
187.14851	6.2
201.16408	20.9
203.17982	11.3
213.04190	4.5
219.17445	64.7
237.18510	16.8
241.15974	3.5
247.04735	4.2
485.23749	5.5
510.62503	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	485.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	2.8
51.02386	2.7
53.03951	14.7
55.01864	15.1
55.05515	15.8
57.03427	10.3
57.07073	4.8
59.04993	5.8
61.02918	7.4
67.05505	24.3
68.99786	9.8
69.03428	48.9
69.07066	13.4
71.04993	22.9
73.02916	12.1
79.05485	18.2
81.03421	42.3
81.07057	79.0
83.04982	8.7
83.08626	6.8
85.02901	71.0
85.06535	4.1
87.00836	33.7
91.05488	21.8
93.07046	94.2
95.04955	9.5
95.08609	47.4
97.02897	27.8
97.06532	22.3
99.04483	17.9
99.08076	6.4
100.11246	4.4
105.01836	23.0
105.07018	43.2
106.48611	2.8
107.08595	31.3
109.02880	37.6
109.06525	17.8
109.10122	17.5
111.08080	4.5
113.06030	4.7
113.09658	3.5
115.03958	3.5
117.01836	4.8
117.07036	9.2
119.08583	34.3
121.06473	3.1
121.10136	23.7
122.10490	2.9
123.08086	21.1
123.11702	44.1
125.09652	8.3
127.03914	70.4
127.11192	9.2
128.04262	3.2
128.06177	3.2
129.01826	6.4
129.06955	3.2
131.08546	17.0
133.10130	65.1
133.11052	5.4
135.11731	15.8
137.09659	4.6
143.08521	5.1
143.10703	4.0
145.04979	25.0
145.10110	23.0
147.02948	3.8
147.11679	23.2
149.09604	4.2
149.13266	5.6
151.11174	38.5
153.12737	5.0
155.10683	4.3
157.10118	4.8
159.02893	20.5
159.11707	19.3
161.13255	14.0
163.11215	9.3
163.14853	4.0
171.11662	5.8
173.13310	7.1
175.11197	3.2
175.14868	9.1
177.12759	5.4
185.13129	3.9
186.04564	3.6
191.14302	6.6
191.17879	4.4
201.16370	30.3
203.14211	4.5
217.15706	3.9
219.17441	100.0
219.19507	6.4
220.18011	3.1
231.05038	9.9
237.18509	14.3
316.43533	3.0
385.11777	3.0
485.15677	3.3
485.24051	3.8
485.32614	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.4
53.03950	7.0
55.01871	7.6
55.05516	17.1
57.03426	5.0
57.07077	3.4
60.69326	1.8
61.02930	3.0
65.03923	1.9
67.05512	30.6
68.99796	3.5
69.03433	27.0
69.07064	12.9
69.12124	14.5
71.01375	2.1
71.04994	21.7
73.02913	3.9
79.05497	25.3
81.03431	13.1
81.07061	92.6
83.04991	8.8
83.08624	6.3
83.09695	1.8
85.02909	38.6
85.06527	4.3
87.00825	17.3
91.05487	33.0
93.07051	47.5
95.04977	14.3
95.08613	53.9
97.02896	16.0
97.06539	10.1
97.10155	2.3
99.04444	6.0
99.08087	16.8
99.08677	2.3
103.05477	2.4
105.01870	9.0
105.07035	100.0
107.04979	3.0
107.08596	43.7
109.02834	10.7
109.06542	7.9
109.10161	49.4
111.04444	1.8
111.08070	4.2
115.03937	5.9
115.05467	3.2
117.07040	11.1
119.08585	63.1
121.06540	2.6
121.10160	37.6
123.08033	4.9
123.11721	20.2
124.83406	1.8
125.09632	38.0
127.03909	16.5
127.07565	20.1
127.11202	3.9
129.01871	4.4
129.07036	5.2
130.07753	1.9
131.08575	22.4
133.06592	2.9
133.10138	80.1
134.10516	2.7
134.35172	1.8
135.08102	2.1
135.11697	11.4
137.09631	13.3
139.11151	3.8
141.07069	2.7
142.07762	4.7
143.08592	9.8
143.10669	22.8
144.09373	2.5
145.04962	4.1
145.10135	27.7
147.08084	3.3
147.11702	56.1
148.12006	2.4
149.09660	7.3
149.13269	7.0
151.11171	5.6
155.08542	2.3
157.10110	10.2
159.02870	5.9
159.11719	22.6
161.09631	3.9
161.13229	15.9
163.11160	4.5
167.10690	3.6
169.10056	3.3
171.11679	3.7
173.09726	3.3
173.13289	11.1
175.11205	5.7
175.14796	6.0
177.12730	3.7
177.16322	2.8
179.10736	1.8
183.11661	3.5
185.13287	3.9
187.11238	3.3
187.14832	9.5
189.12761	2.8
189.16347	2.1
191.14200	1.8
191.17979	2.3
193.15807	2.2
199.14821	3.9
201.03987	2.5
201.12827	3.0
201.16403	19.7
203.14328	7.7
203.17957	15.3
205.15886	2.9
211.14914	2.6
213.16359	4.4
217.15836	3.5
219.17445	41.9
220.17732	2.8
221.19022	2.7
225.16458	2.5
231.04984	4.8
233.11771	3.9
237.18330	10.4
243.17455	3.2
421.31064	2.1
449.21555	2.5
467.31311	5.6
485.32599	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65525	1.5
53.03946	2.4
54.10188	1.4
54.15309	1.4
55.01871	4.7
55.05513	8.1
57.03437	2.2
57.07077	2.5
63.08844	1.7
65.03922	2.0
67.05513	15.2
68.94286	1.6
69.03434	17.4
69.07073	9.6
69.08397	2.8
69.08795	10.0
71.04999	7.9
71.91124	1.5
73.02951	3.3
77.64864	1.9
79.05502	12.5
80.69056	1.4
81.03423	8.9
81.07068	30.4
83.04993	5.8
83.08626	4.2
85.02913	20.7
85.06551	2.7
87.00832	8.4
90.99036	1.7
91.05481	20.9
93.07050	24.6
95.04982	15.2
95.08609	24.6
97.02880	7.9
97.06556	8.7
97.10164	1.8
99.04444	2.3
103.05456	1.6
105.01895	7.6
105.07040	43.6
107.04947	2.2
107.08589	23.9
109.02905	5.8
109.06533	6.7
109.10161	22.4
111.08086	30.1
115.76931	1.7
117.07024	6.1
119.08580	29.0
121.06541	4.9
121.10146	19.8
123.08073	6.1
123.11712	12.6
125.09609	9.0
127.03915	12.5
127.11191	2.8
128.06203	1.6
129.07021	1.8
131.08556	14.6
133.06573	1.9
133.07605	1.6
133.10126	50.8
135.08055	7.6
135.11697	19.4
137.09604	3.6
142.07806	2.6
143.08575	8.9
145.04944	4.5
145.10103	22.1
147.08040	2.2
147.11671	11.8
149.09615	13.3
149.13240	6.0
151.11176	3.9
155.08522	11.9
156.08932	10.7
157.10147	8.8
159.02927	3.8
159.08069	2.7
159.11690	15.6
161.09624	3.1
161.13254	13.7
163.11171	6.4
163.14810	3.1
169.10150	3.2
171.11737	5.3
173.13281	5.2
175.11261	2.5
175.14838	6.1
177.12871	1.8
177.16394	2.7
179.14365	1.7
183.11742	3.5
185.13255	4.1
187.14801	10.4
189.12769	4.1
189.16345	1.8
191.14311	2.4
191.92892	1.7
199.14847	5.3
201.16391	12.4
203.14342	8.4
203.17950	2.0
204.15106	2.4
205.15825	4.4
213.16374	3.6
215.14398	2.8
217.16072	2.4
219.17453	100.0
220.17857	6.5
227.17940	2.4
229.15915	2.6
232.53178	1.9
237.18498	19.2
241.19724	1.9
248.00716	1.6
403.30075	1.8
441.20996	3.6
449.30600	2.4
467.31491	5.3
485.13971	2.8
485.20490	4.4
485.32727	21.1
486.31702	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01873	6.3
55.05510	8.6
57.03426	3.0
57.07080	2.4
61.60313	1.8
63.25506	2.1
65.02464	2.1
65.03932	4.6
67.05505	26.1
68.14501	2.3
69.03425	17.4
69.07071	19.9
70.06610	2.2
71.04999	6.1
71.31445	3.2
79.05496	23.0
81.03436	7.8
81.07066	38.1
83.04979	9.4
83.08624	6.2
85.02894	14.7
85.06550	4.0
86.09705	3.1
87.00832	7.0
87.04486	2.3
91.05476	32.2
93.07047	44.5
95.03995	2.0
95.04970	34.2
95.08611	71.1
97.02914	5.9
97.06529	12.0
99.04465	5.3
99.08068	2.4
103.90010	2.1
105.01894	7.5
105.07037	46.3
105.07745	2.3
107.08601	44.9
109.02888	5.5
109.06486	10.0
109.10168	28.2
109.71287	2.0
111.04434	2.4
111.08083	26.1
113.09661	2.1
117.07069	7.3
119.08586	75.1
121.06525	10.6
121.10156	33.0
123.08085	8.1
123.11690	14.0
125.09655	3.6
127.03906	10.7
128.06235	4.2
128.24646	2.2
129.07039	9.4
131.08568	25.6
133.06503	2.9
133.10138	36.5
133.11043	2.9
135.08073	12.4
135.11702	28.6
135.41939	1.7
137.06042	4.2
137.09627	7.9
137.13322	2.0
141.30989	1.9
142.07793	4.1
143.08601	15.6
145.05008	5.0
145.10124	47.6
147.08089	5.7
147.11693	17.4
149.05934	3.1
149.09630	21.1
149.13310	11.6
151.07608	2.1
151.11192	4.2
155.08563	13.7
156.09030	7.8
157.10095	19.5
159.08185	3.0
159.11697	27.3
161.06012	2.1
161.09689	7.7
161.13231	21.1
163.11194	11.6
163.14891	6.6
169.10149	6.0
171.11687	12.5
173.09673	5.4
173.13235	15.7
175.11089	3.6
175.14793	14.6
177.16429	7.0
179.14278	3.0
182.10918	2.5
183.11707	6.2
185.13362	8.9
187.11397	2.4
187.14841	36.2
187.16360	3.1
189.12793	7.4
189.16432	11.1
191.14418	6.4
197.13303	6.4
199.14795	12.9
201.12840	2.4
201.16397	26.1
201.18199	2.7
203.14317	36.5
203.18045	2.8
204.14978	2.2
205.15958	9.5
211.14908	5.1
213.16438	9.2
215.14430	9.1
215.18033	3.0
217.15910	10.5
219.14066	5.4
219.17453	100.0
220.17883	4.9
225.16495	3.8
227.14488	2.4
227.18018	4.7
229.15947	6.4
231.13979	3.1
231.17555	6.5
233.15427	3.3
237.14784	5.2
237.18501	23.1
243.17366	4.0
245.15480	4.7
267.21274	2.6
279.20959	2.4
367.26590	2.2
403.30338	5.1
421.31009	7.2
431.29343	2.4
437.30707	3.5
439.32227	4.4
441.21143	3.2
449.30664	7.6
467.31555	16.1
485.20679	7.3
485.32779	87.1
486.32913	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	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
53.03952	6.1
54.86914	1.2
55.01871	5.3
55.05513	16.5
57.03442	4.2
57.07055	3.8
57.52366	1.3
60.56607	1.0
61.02915	1.8
65.03938	4.4
67.05508	30.0
68.99795	1.6
69.03436	18.0
69.07068	13.0
71.04995	14.7
71.08617	1.0
71.30453	1.4
71.30792	1.3
73.02914	1.8
76.70918	1.0
77.03943	1.4
79.05499	25.9
81.03424	10.6
81.07062	57.2
82.07399	2.1
83.04982	12.1
83.08619	5.7
85.02911	17.3
85.06549	5.0
86.33341	1.1
87.00828	5.2
91.04906	1.2
91.05068	0.8
91.05481	31.1
93.07050	53.6
94.07341	1.7
95.04974	37.9
95.08609	84.6
97.02889	7.8
97.06523	11.3
97.10165	4.1
99.04462	6.1
99.08104	6.9
103.05450	2.2
105.01852	4.6
105.04530	2.1
105.07032	74.0
107.08599	48.3
109.02887	7.2
109.06528	13.0
109.10157	34.8
111.04475	1.6
111.08092	5.4
113.06078	1.1
115.03964	2.2
115.05451	2.8
117.07005	11.3
119.08584	90.0
120.08958	2.0
121.06522	8.7
121.10146	45.8
123.04404	1.4
123.08078	12.3
123.11720	14.4
125.05996	1.7
125.09643	13.7
127.03918	10.6
127.07574	6.1
127.11188	3.1
128.06229	5.4
129.01881	1.3
129.06995	7.5
130.07785	3.1
131.08572	32.3
131.09488	2.4
133.06505	2.2
133.10132	57.0
134.10498	1.8
135.08064	8.8
135.11684	19.9
137.05983	2.3
137.09624	9.1
137.13298	1.8
139.07506	2.4
139.11203	3.5
141.06969	2.9
142.07727	5.8
143.08566	18.1
143.10707	3.9
144.09357	2.5
145.04970	3.4
145.06561	1.4
145.10126	48.1
147.08057	9.7
147.11691	32.5
149.09622	8.8
149.13246	9.1
151.07564	2.0
151.11206	5.6
155.08577	8.1
155.10577	1.3
156.09315	4.1
157.10133	22.2
158.10945	2.4
159.02893	2.7
159.08092	4.8
159.11688	31.4
161.09641	7.5
161.13272	18.0
163.07585	2.8
163.11182	6.3
163.14842	7.1
165.09097	2.1
165.12753	1.8
167.08598	2.1
167.10728	2.7
168.09242	1.8
169.10156	9.3
170.10956	3.3
171.08015	1.9
171.11681	13.0
173.09651	4.7
173.13258	22.2
175.11159	6.1
175.14824	15.5
177.09122	2.0
177.12746	3.5
177.16406	4.5
179.10712	1.7
179.14307	2.8
181.10182	1.7
182.10852	2.0
183.11671	7.6
185.13268	11.0
187.11278	3.6
187.14824	35.8
189.09161	1.6
189.12801	9.4
189.16403	12.2
191.10724	1.7
191.14352	5.0
193.10062	1.4
195.11771	1.9
196.12675	1.5
197.13246	6.7
199.11186	1.2
199.14830	15.8
201.12741	3.7
201.16379	24.8
201.18147	1.7
203.14314	35.5
203.17961	8.3
205.12254	1.4
205.15875	10.8
207.13828	1.6
209.13341	3.0
211.14848	5.0
213.12738	2.1
213.16350	12.7
215.14333	10.2
215.17868	5.8
217.15884	14.3
219.13986	2.7
219.17444	22.4
219.19498	1.5
220.17831	1.6
221.15416	2.1
223.14935	1.6
225.12845	1.7
225.16415	4.5
227.14372	1.6
227.17964	3.0
229.15883	8.9
229.19545	1.8
231.04913	1.5
231.13893	3.2
231.17470	6.3
233.11603	1.4
233.15393	3.5
235.17015	1.5
237.16441	2.2
237.18484	7.1
239.18013	2.9
241.15919	1.6
241.19626	1.7
243.17409	1.7
245.15446	1.8
245.18889	2.5
247.17038	3.6
249.14801	1.6
251.18073	1.7
253.19673	3.3
255.17525	1.3
255.20918	1.3
259.17044	1.7
261.18491	2.6
265.13770	1.5
267.21143	1.7
273.18701	1.6
281.22464	1.4
287.23575	1.3
291.05899	2.4
307.24176	1.6
337.69247	1.3
385.28619	1.9
399.19882	2.8
403.29996	7.1
405.31906	2.5
421.30933	8.4
423.32773	3.1
431.29654	2.4
437.30371	2.8
439.32126	6.1
441.20886	3.9
449.30353	6.5
467.31641	20.0
468.31781	1.6
485.21082	11.4
485.32663	100.0
486.32748	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	485.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
62.42275	0.3
67.05498	0.9
67.70925	0.4
69.07066	1.3
69.81293	0.8
69.81682	0.8
79.04838	0.3
79.05491	1.3
81.07065	2.0
83.49698	0.3
91.05480	1.2
93.07047	1.5
95.03468	0.3
95.08611	2.4
96.10482	0.3
97.06519	0.7
105.07057	2.5
107.04903	0.4
107.08596	2.7
109.06544	0.7
109.10165	2.0
111.08060	0.5
119.08588	3.4
121.06520	0.4
121.10141	3.0
123.08077	0.8
123.11711	1.6
131.08646	0.9
133.10141	2.0
135.08086	0.8
135.11697	1.7
137.05972	2.7
137.09631	0.5
139.11191	0.7
142.07739	0.5
143.08548	0.7
145.10133	1.4
147.08109	0.6
147.11674	1.5
149.09644	0.9
149.13248	0.6
150.28761	0.4
157.10193	0.9
159.08116	0.5
159.11682	1.8
161.05959	0.5
161.09683	0.6
161.13293	0.6
163.11084	0.4
165.12868	0.4
166.09300	0.4
169.10100	0.3
171.11699	0.9
173.09671	0.5
173.13290	1.0
175.07582	0.8
175.11229	0.8
175.14905	0.6
179.14603	0.4
185.13245	0.5
187.11209	0.5
187.14847	0.9
189.12784	0.9
189.16457	0.7
195.11786	0.6
197.13374	0.6
199.11156	0.4
199.14861	0.7
201.12788	0.5
201.16368	0.6
203.14362	0.5
203.17937	0.4
225.12682	0.4
233.15271	1.7
249.18655	0.5
251.10690	0.6
279.10123	0.7
283.17017	0.4
299.20221	0.4
311.12799	1.0
411.26816	0.6
421.31235	0.5
449.31012	0.7
467.32257	1.9
485.30899	100.0
486.31268	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55501	2.4
53.03936	3.9
55.05520	15.2
56.51841	2.7
58.01618	2.8
61.92625	2.6
67.05511	16.3
69.03418	9.0
69.05006	16.5
69.05408	8.4
69.07052	16.9
70.06599	4.4
71.04984	4.6
79.05503	19.4
79.05899	3.2
81.03420	4.1
81.07056	42.5
83.04992	17.5
83.08601	8.3
85.02911	12.8
85.06565	3.1
86.09702	5.2
87.00844	3.4
91.05491	29.6
93.07045	39.9
95.04985	7.4
95.08609	52.6
97.06522	7.6
100.11268	7.6
103.05464	5.8
105.07027	66.5
107.08592	64.7
109.06480	16.0
109.10148	26.9
111.08089	4.9
115.05486	4.2
117.07030	12.0
119.08576	95.6
120.08118	5.0
121.06541	6.3
121.10148	35.0
123.08086	10.6
123.11709	9.2
125.09635	13.4
128.06241	6.6
129.07010	13.6
130.07877	5.9
131.08563	52.2
133.06500	3.3
133.10129	51.5
135.08057	11.7
135.11691	18.3
137.05969	48.9
137.09625	7.2
138.06349	4.8
141.06944	4.1
142.07773	9.3
143.08562	27.8
145.10117	100.0
146.10535	3.6
147.08022	2.9
147.11673	29.0
149.09621	7.9
149.13280	12.5
151.07510	3.2
155.08556	8.7
156.09329	8.2
157.10141	42.1
158.10828	4.1
159.11693	54.5
160.12106	3.9
161.06017	11.7
161.09662	4.5
161.13264	23.2
163.07578	7.1
163.11221	6.1
163.14799	5.9
165.07069	2.9
167.08537	3.5
169.10112	12.8
170.10873	12.6
171.11670	31.4
172.12422	5.9
173.13248	50.2
175.07666	5.4
175.11266	4.7
175.14832	20.9
177.16379	10.8
179.14294	4.4
181.10083	4.7
182.10950	4.6
182.15410	5.4
183.11713	35.5
184.12427	3.6
185.13252	56.8
186.13597	5.6
187.14827	86.0
188.15240	4.2
189.12787	6.0
189.16377	14.3
191.14296	10.7
191.18015	3.1
193.10237	3.7
193.15926	3.8
195.11679	6.5
197.13307	19.2
199.07504	17.9
199.14793	42.0
200.15196	3.2
201.12714	4.5
201.16386	46.4
202.07780	5.3
203.08554	7.9
203.14343	18.6
203.17978	7.7
205.15858	11.1
209.13283	9.4
211.14854	9.7
213.12727	4.5
213.16451	16.8
214.14404	3.8
215.14320	6.4
215.17993	6.3
217.15851	15.9
219.08066	4.7
219.17470	7.9
221.15254	3.7
223.14792	8.1
225.16370	9.4
227.17976	8.2
229.15894	8.2
231.08098	9.9
231.13853	6.6
231.17464	4.7
233.15306	4.9
235.08582	3.1
237.16336	4.5
239.17972	5.1
241.19464	5.2
245.15356	10.9
248.08163	5.0
251.17928	6.2
253.19542	5.8
259.07565	6.1
263.10596	5.4
263.18045	3.0
265.19589	4.7
267.21030	3.1
276.07767	5.2
277.08670	3.8
277.19604	4.0
279.21106	4.8
291.10208	18.0
292.10876	8.0
299.20087	3.5
323.12817	36.2
324.13187	5.1
387.30362	6.1
403.29962	15.1
405.31485	13.1
409.27426	3.4
419.29382	4.7
421.30902	17.8
423.32535	8.3
431.29581	15.7
437.30377	4.4
439.31909	7.1
449.30420	27.2
450.31219	4.0
454.34677	4.7
467.31638	31.3
485.32614	49.6
486.32990	3.2
489.44165	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	485.3263
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03945	2.8
55.01876	1.3
55.05517	5.7
57.07080	1.7
65.03938	2.8
67.05505	18.5
69.03432	8.4
69.07065	8.4
69.18070	6.5
71.05003	1.6
72.99510	1.0
74.77799	1.1
75.24254	1.3
79.05493	14.8
81.03417	1.6
81.07059	25.6
82.37143	1.0
83.04994	4.0
83.08632	2.2
85.02934	1.8
85.06530	1.2
85.28849	1.0
91.05484	23.7
93.07047	27.6
95.04362	1.6
95.04967	31.2
95.05556	2.2
95.08607	64.2
96.08973	1.2
97.06517	5.7
97.10163	1.8
98.22617	2.3
99.04475	2.4
103.05460	1.8
105.04549	1.2
105.07036	37.3
107.07865	1.8
107.08598	34.4
109.06519	9.2
109.10170	17.7
111.08077	2.9
115.05437	1.6
116.06197	1.3
117.07027	11.0
118.11342	1.1
119.08583	71.2
120.08901	1.3
121.06497	5.5
121.10149	22.3
123.08082	7.3
123.11685	5.1
125.09640	1.9
128.06230	2.7
129.06984	6.3
130.07768	1.7
131.08571	28.2
131.09492	2.1
133.06523	3.8
133.10129	24.0
135.08047	8.0
135.11702	9.5
137.09627	2.6
137.13248	1.4
141.07051	1.7
142.07797	4.7
143.08559	14.0
145.10127	32.9
146.10487	1.4
147.08061	7.9
147.11690	15.7
149.09615	7.4
149.13246	5.7
155.08592	4.7
156.09383	3.4
157.10129	19.1
159.08075	3.6
159.11696	22.8
161.09621	7.7
161.13242	15.6
163.07535	1.7
163.11298	3.8
163.14861	5.0
165.09117	1.4
169.10135	7.4
170.10895	2.0
171.11678	13.5
173.09596	1.6
173.13251	15.0
175.11223	3.5
175.14832	14.1
177.12845	2.7
177.16405	4.0
179.14462	1.5
181.10168	1.9
183.11691	5.9
184.12349	1.7
185.09731	1.3
185.13232	9.6
187.11163	1.5
187.14821	42.0
188.15231	1.4
189.12785	6.8
189.14798	1.4
189.16386	10.7
191.14308	3.1
195.11798	2.6
197.11520	0.9
197.13290	6.6
199.14828	12.5
201.12675	1.9
201.16389	14.5
203.14314	34.6
203.17963	2.5
204.14708	1.7
205.15868	10.0
207.13826	1.3
211.14879	4.5
213.12810	1.3
213.16370	11.7
215.14297	8.8
215.17972	3.9
217.15875	16.8
219.13858	2.0
219.17505	4.4
221.15443	1.3
223.14828	1.7
225.16422	1.9
227.17992	4.6
229.15874	6.4
231.13820	1.8
231.17444	6.4
233.15422	4.5
239.17966	1.5
241.15907	2.1
241.19577	1.8
243.17529	1.7
245.15347	1.7
245.18974	1.9
247.16997	3.2
253.19646	3.3
255.21136	1.3
257.19040	2.1
259.45804	1.1
269.18979	1.4
299.23657	1.1
307.24176	1.2
369.27786	1.3
387.30560	1.2
403.29904	8.3
405.31693	2.7
421.31036	10.1
422.31372	1.4
423.32608	4.2
431.29318	1.6
437.30472	2.1
439.32175	6.2
449.30621	6.7
455.31754	1.3
467.31577	17.9
468.31610	1.4
485.32645	100.0
486.32977	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	485.3262
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.02391	0.9
53.03942	2.1
55.01865	1.5
55.05509	9.6
57.03421	1.5
57.07074	1.6
62.69298	0.7
65.03938	2.6
67.05504	22.2
69.03432	10.7
69.06716	1.0
69.07072	9.4
69.80141	0.8
70.78291	0.9
71.04993	1.7
72.99764	0.7
77.03904	0.7
79.05492	15.9
81.03413	3.3
81.07058	25.4
82.07393	0.8
83.04977	6.5
83.08617	4.2
85.02905	2.8
85.06538	1.1
91.05478	23.9
93.06573	0.5
93.07043	32.7
95.04968	32.1
95.08607	60.7
96.08907	1.3
97.02907	1.1
97.06532	7.3
97.10149	1.5
99.04454	2.2
99.08047	0.9
103.05472	2.1
105.07030	41.7
106.07323	0.9
107.04946	1.0
107.08595	33.2
107.78873	0.8
108.08938	1.2
109.02876	1.0
109.06535	7.8
109.10156	16.9
111.04448	0.9
111.08086	2.6
115.05444	2.7
116.06258	1.2
117.01836	0.8
117.07012	9.9
118.25991	0.8
119.04905	1.0
119.08582	70.3
120.08864	1.7
121.06538	6.1
121.10149	26.9
123.08064	8.1
123.11699	5.6
125.06001	0.9
125.09615	1.2
127.03935	2.8
128.06223	3.3
129.01773	0.7
129.06996	6.3
130.07814	1.4
131.08565	30.7
132.08914	1.2
133.06500	3.5
133.07401	0.8
133.10132	28.4
134.10503	0.8
135.08051	6.8
135.11694	9.9
137.09598	3.9
137.13271	1.7
141.07028	2.8
142.07761	5.6
143.08571	16.3
144.09314	3.1
145.06516	1.3
145.10120	34.8
147.08040	8.9
147.11687	16.2
148.12054	1.1
149.06023	2.4
149.09583	6.8
149.13260	6.5
151.07581	1.1
151.11290	0.9
153.09052	0.8
155.08569	5.7
156.09326	3.2
157.10120	18.8
158.10886	2.4
159.08015	3.8
159.11682	21.7
161.09613	8.9
161.13248	12.6
163.07503	1.7
163.09927	0.7
163.11107	4.1
163.14813	6.4
165.12775	1.6
167.08521	1.4
169.10106	5.9
170.10875	2.2
171.08006	0.8
171.11693	12.7
172.12312	1.2
173.09628	2.8
173.13264	17.4
174.10324	1.1
175.11221	3.3
175.14827	14.4
177.09062	1.0
177.12787	2.7
177.16351	3.8
179.10617	1.2
179.14278	2.1
181.10129	1.3
181.34702	0.8
182.10883	1.5
183.11664	5.2
184.12457	1.8
185.13245	9.4
187.11266	1.8
187.14816	43.5
188.15216	1.7
189.12761	6.9
189.16391	12.7
191.14279	6.0
191.18146	1.0
193.09955	0.8
193.15901	1.1
195.11661	2.1
197.13237	7.6
199.11220	1.1
199.14818	14.8
201.12825	3.5
201.16394	17.5
201.18201	1.5
202.16792	0.9
203.14311	38.0
203.17978	3.5
204.03387	0.8
204.14690	1.3
205.15878	12.0
206.16307	0.8
207.11661	1.3
209.13260	1.0
211.14850	4.0
213.12798	1.1
213.16360	11.4
215.14357	10.2
215.17918	4.0
217.12541	1.3
217.15869	13.6
217.19302	0.9
219.11989	1.0
219.13864	3.3
219.17456	3.5
221.13287	0.9
221.15367	1.7
223.14818	1.7
225.16389	2.4
227.14403	1.6
227.17964	4.4
229.15941	7.4
229.18231	0.9
229.19325	1.3
231.13869	1.5
231.17386	7.6
233.15331	5.8
235.17029	1.0
237.14839	2.3
239.17999	2.8
241.15825	1.4
241.19537	2.0
243.17386	1.9
245.15411	3.8
245.19070	2.2
247.16823	3.6
251.18034	1.2
253.15910	1.0
253.19511	2.1
255.17331	1.0
257.19019	1.5
259.16934	1.8
265.19537	1.0
267.21170	1.9
269.19110	1.1
269.22876	0.8
271.16852	0.9
273.18582	1.1
273.28448	0.9
277.19366	0.7
279.21106	1.1
281.19156	0.9
281.22733	2.2
283.20547	1.0
303.21277	0.9
325.21710	1.2
325.25323	0.8
353.24701	1.1
385.28638	1.0
393.31793	1.4
403.29907	7.8
405.31589	2.7
412.95795	0.7
419.66788	0.9
421.31018	11.7
423.32465	2.9
431.29514	3.3
437.30472	2.1
439.32239	3.9
449.30460	7.4
450.30597	1.2
467.31586	14.7
468.31705	1.6
485.20660	3.6
485.32605	100.0
486.32874	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	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.80415	0.5
53.03948	2.4
55.01862	1.1
55.05270	0.7
55.05515	9.5
55.58321	0.5
56.50975	0.6
57.03433	1.4
57.07076	1.5
57.45489	0.5
64.75177	0.6
65.03935	3.0
67.05506	18.0
69.03430	6.7
69.07074	10.3
69.90302	2.5
71.04995	1.2
71.74146	0.6
73.02917	0.7
77.03909	0.9
79.05500	15.8
79.05961	0.8
81.03426	2.1
81.07063	24.7
83.04993	5.4
83.08619	3.0
85.02917	1.7
85.06585	0.8
87.00827	0.6
91.04891	0.7
91.05482	23.4
93.07049	29.8
94.07369	0.7
95.04977	31.4
95.08611	66.2
96.08954	2.2
97.06531	4.8
97.10164	1.7
98.23344	0.8
99.04457	2.6
99.08135	1.0
103.05472	1.5
105.04537	1.2
105.07036	40.0
107.04927	1.1
107.08598	32.6
108.08932	0.8
109.02856	1.2
109.06520	6.8
109.10155	16.4
111.08095	2.4
111.11736	0.7
115.05463	2.2
117.07022	8.8
119.08584	68.7
120.08917	2.3
121.06524	5.4
121.10149	24.6
122.10513	1.1
123.08064	6.1
123.11728	4.7
125.09666	1.0
127.03964	1.1
128.06238	2.6
129.07010	6.9
130.07793	2.0
131.08569	27.9
132.08965	0.7
133.06502	2.9
133.10132	24.6
134.10446	0.7
135.08063	7.2
135.11691	9.7
137.09615	2.9
137.13271	2.1
139.07567	0.8
139.11203	0.9
141.06982	2.0
142.07797	4.4
143.08565	15.6
144.09314	1.4
145.06543	1.1
145.10129	35.9
146.10516	1.5
147.08035	7.7
147.11691	14.5
149.05923	0.9
149.09613	6.4
149.13280	5.8
151.11218	1.6
153.09047	1.4
155.08588	6.5
156.09384	3.8
157.10146	18.3
158.10846	1.4
159.08073	2.7
159.11693	20.7
159.12978	1.1
161.09612	7.2
161.13248	15.1
162.79227	0.5
163.07544	1.9
163.11169	1.9
163.14816	5.5
165.09198	1.5
165.12793	0.7
167.08545	1.3
169.10130	7.6
170.10887	2.5
171.11696	11.6
172.12430	1.2
173.09624	3.6
173.13271	15.8
174.10330	0.6
175.11252	3.2
175.14828	14.1
175.16371	0.7
176.15060	0.8
177.09120	1.1
177.12781	2.5
177.16331	4.9
179.08548	0.7
179.14325	2.0
181.10165	1.5
182.10960	1.0
183.11729	4.4
184.12508	1.2
185.09689	1.4
185.13264	10.5
187.11258	2.7
187.14827	41.8
188.15167	1.4
189.12738	6.6
189.16389	11.7
190.16667	0.6
191.10812	0.6
191.14323	3.7
193.10196	0.8
193.15936	0.7
195.11684	0.8
196.12468	0.7
197.13330	5.2
199.11191	0.6
199.14824	12.3
201.12842	3.2
201.16380	16.9
203.14320	34.0
203.17935	1.8
204.14682	1.4
205.15894	11.6
207.17416	0.6
209.13272	2.5
211.14825	4.1
213.12830	1.9
213.16391	13.0
214.16737	0.9
215.14348	8.4
215.17937	3.7
217.15872	15.8
217.17818	1.1
218.16272	0.9
219.13885	2.3
219.17426	4.9
221.13351	0.9
221.15282	1.5
223.14911	1.7
225.16373	3.7
227.14398	1.4
227.17984	3.9
229.15863	8.2
229.19513	1.5
231.13838	1.7
231.17471	6.8
233.15379	6.3
235.14943	1.0
235.16974	0.9
237.16394	2.5
237.18542	1.0
239.17976	3.2
241.15913	1.2
241.19490	1.9
243.17508	2.4
243.21126	0.8
245.15417	2.0
245.19055	1.9
247.16943	3.6
249.14876	1.1
249.18594	0.8
251.18069	1.4
253.19672	2.5
255.17479	1.1
257.19067	1.1
259.17020	2.1
261.18555	0.8
267.17435	1.0
267.21170	1.8
271.20618	1.4
273.18643	0.9
275.17975	0.8
277.17816	0.8
279.21194	0.8
295.20493	0.8
297.22137	1.0
299.20081	0.9
307.24130	1.1
309.25726	1.1
325.25238	1.1
327.23367	1.5
339.27060	0.9
353.24698	1.0
363.26962	0.9
367.26349	1.3
385.28766	1.8
387.30634	0.7
391.30249	0.8
393.31638	1.7
403.30026	7.3
405.31570	3.0
406.32010	0.7
421.31015	11.1
422.31357	1.4
423.32681	4.6
431.29388	2.4
437.30499	2.5
439.32211	4.8
449.30545	7.1
467.15768	0.8
467.31573	16.6
468.32434	1.4
485.32657	100.0
486.33020	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3262
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03927	1.3
55.01860	0.8
55.05509	6.9
55.88554	0.8
57.03425	1.0
57.07064	1.1
59.07281	0.8
59.71505	0.8
63.59183	0.8
65.03941	3.3
67.05506	19.6
68.34829	0.8
69.03423	7.9
69.07069	8.3
69.19847	4.5
71.05000	0.9
79.05492	17.2
81.03403	2.5
81.07059	26.3
83.04990	6.0
83.08616	4.2
85.06570	1.2
91.05479	21.7
93.07046	31.5
95.04969	35.6
95.08607	67.2
96.08951	1.2
97.06516	5.3
97.10137	2.8
99.04462	2.4
103.05443	1.5
105.04498	1.2
105.07032	44.3
107.04955	1.0
107.08591	33.9
108.08936	1.0
109.06522	7.8
109.10155	16.8
111.08089	2.9
113.05990	0.8
115.05472	2.4
116.06272	0.9
117.07020	8.9
119.08580	75.0
120.08901	2.0
121.06519	5.6
121.10143	22.2
122.10545	0.9
123.08060	6.9
123.11668	4.0
125.05988	1.0
125.09605	1.0
128.06244	3.1
129.07010	6.3
130.07741	2.3
131.08569	31.5
133.06500	2.9
133.10126	29.6
134.10480	1.0
135.08070	6.6
135.11659	9.2
137.05992	0.8
137.09612	5.0
137.13239	1.6
141.07013	2.5
142.07794	4.6
143.08568	16.5
144.09308	2.3
145.06467	1.3
145.10123	38.8
146.10501	1.8
147.08044	9.9
147.11690	15.3
149.09627	6.7
149.13264	7.0
151.11246	1.0
154.07764	1.3
155.08545	4.8
156.09319	2.9
157.10132	21.5
157.11444	1.9
158.10870	2.4
159.08049	2.6
159.11697	24.9
159.12990	1.9
161.09666	6.6
161.13249	15.9
163.07623	1.2
163.11195	3.5
163.14827	5.8
165.09062	1.2
167.08568	1.1
168.09386	1.6
169.10132	7.0
170.10905	2.5
171.08095	1.4
171.11688	13.1
172.12427	1.6
173.09601	2.9
173.13249	17.6
173.14629	1.4
175.11192	3.7
175.14818	14.4
177.12758	2.0
177.16382	4.8
179.14363	1.7
181.10118	1.8
182.10869	2.2
183.11656	5.6
184.12466	1.7
185.13246	8.7
187.11253	1.8
187.14815	40.5
188.15236	1.2
189.12762	6.9
189.16365	12.6
191.14270	5.8
193.10110	1.4
193.15779	1.2
195.11667	2.5
196.12474	1.0
197.13257	6.0
199.14816	13.4
201.12764	3.0
201.16406	16.2
202.16862	0.9
203.14313	38.8
203.17841	1.5
204.14754	1.6
205.15868	13.4
207.13744	1.9
209.13301	1.3
211.14867	4.3
213.16350	12.7
215.14348	8.7
215.17973	3.9
217.15883	15.6
218.16383	1.0
219.13843	1.1
219.17438	8.1
220.17787	1.4
221.13200	0.8
221.15315	1.3
223.14909	2.1
225.16399	2.6
227.14305	1.9
227.17949	6.5
229.15828	8.1
229.19417	2.0
231.13737	1.5
231.17368	6.5
233.15372	5.1
235.16942	1.0
237.16289	1.1
239.17970	3.3
241.15799	1.0
241.19539	2.5
243.17467	1.7
245.15421	2.2
245.19061	1.1
247.16934	3.0
251.18002	1.9
253.19594	2.8
255.21040	1.4
257.19022	1.8
259.16965	2.2
267.21082	1.6
273.18652	1.6
277.18207	1.1
281.19226	0.9
281.22324	1.0
283.20587	1.0
291.21042	1.0
307.24255	1.7
309.25879	0.9
327.23306	1.1
385.28818	2.0
391.30402	0.8
393.31833	1.2
403.29849	5.8
405.31421	2.7
421.31131	9.8
423.32565	3.3
431.29416	2.3
437.30542	2.1
439.32111	4.4
449.30542	7.6
467.31607	17.6
468.32050	1.4
485.32611	100.0
486.32999	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3261
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03950	4.6
55.05503	9.1
55.70540	1.7
65.03930	3.4
67.05506	23.5
69.03434	7.4
69.07066	10.5
69.19864	11.0
79.05497	19.6
81.03439	3.3
81.07058	26.9
83.04958	4.4
83.08615	3.9
91.05479	29.9
93.07043	33.7
95.04967	34.7
95.08607	75.0
97.06550	5.0
99.04475	3.3
105.04549	1.8
105.07033	49.2
107.04982	2.2
107.08597	35.0
109.06518	7.3
109.10143	16.6
117.07037	11.0
119.08576	80.3
120.08927	2.3
121.06511	8.5
121.10133	26.0
123.08084	5.3
123.11706	4.5
125.09698	2.3
128.06235	2.9
129.07022	7.3
130.07806	2.0
131.08565	34.1
133.06483	3.8
133.10133	27.1
135.08061	7.3
135.11700	13.7
137.09595	3.5
141.06970	3.4
142.07790	5.7
143.08562	17.1
144.09369	2.1
145.10129	37.9
146.10535	1.9
147.08066	7.2
147.11693	14.3
149.09651	5.6
149.13261	5.4
155.08553	5.8
156.09331	5.1
157.10127	17.7
158.10915	2.8
159.08064	2.2
159.11713	21.8
161.09590	5.7
161.13239	13.7
163.14830	5.5
169.10135	7.1
170.10930	2.2
171.11725	12.4
172.12372	2.4
173.13268	18.4
175.11183	3.3
175.14839	12.9
177.12865	1.8
177.16418	5.0
179.14255	2.9
181.10115	2.5
182.10867	2.0
183.11728	5.3
185.13271	10.6
187.14815	38.1
189.12747	5.7
189.16335	12.5
191.14392	4.7
195.11526	2.2
197.13278	7.9
199.14789	14.6
201.16386	18.3
202.41653	1.7
203.14325	37.9
204.14717	1.8
205.15898	9.5
211.14879	5.0
213.16356	13.2
215.14305	12.1
215.17961	3.6
217.15869	12.7
219.17557	3.3
221.15294	1.9
225.16322	3.0
227.17946	5.2
229.15865	9.5
229.19525	2.2
231.17517	6.1
233.15404	5.3
235.11458	1.9
239.18109	2.2
241.16002	2.1
241.19640	2.4
243.17427	2.0
245.15388	2.5
247.16949	3.9
253.19511	3.1
258.74429	2.0
403.29996	6.2
405.31543	2.7
421.30960	9.7
423.32562	4.4
431.29803	2.4
437.30560	3.0
439.32214	5.7
449.30588	9.6
467.31616	18.8
468.32120	2.1
485.32611	100.0
486.32626	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.7
51.02366	1.1
52.16346	0.5
53.00306	1.4
53.03938	5.7
55.01865	6.5
55.05508	11.0
57.03437	3.5
57.07065	2.4
59.04975	0.8
61.02921	3.2
65.03938	14.7
66.04280	2.8
66.04623	0.6
67.05503	26.4
68.05816	0.8
68.99791	2.6
69.03428	31.3
69.07066	13.1
69.15990	2.1
69.16412	2.0
70.03766	3.9
71.01356	0.7
71.04992	20.7
72.05327	3.7
73.02908	2.6
77.03932	1.7
79.05489	28.5
80.05825	2.5
81.03418	14.7
81.03903	0.8
81.07053	35.4
82.03745	3.2
82.07380	1.2
83.01366	0.5
83.04985	6.0
83.08604	4.8
85.02902	45.9
85.06534	1.4
86.03234	8.2
87.00829	25.2
87.04453	0.7
88.01162	4.2
91.03931	1.1
91.05478	41.2
92.05807	5.7
93.03403	39.9
93.07043	37.1
94.03735	14.4
94.07382	1.8
95.04966	39.1
95.08603	73.1
96.05271	1.3
96.08936	2.4
97.02886	20.3
97.06524	6.9
97.10175	2.2
98.03239	4.7
98.23373	1.3
99.04446	8.0
99.08072	1.3
100.04800	1.7
103.05463	3.6
105.01862	37.8
105.03387	1.1
105.04502	1.2
105.07026	52.0
106.02192	5.3
106.06735	0.5
106.07345	3.3
107.04961	3.6
107.08589	41.9
108.05286	0.9
108.08919	1.9
109.02870	16.1
109.06514	11.4
109.10149	21.4
110.03204	4.3
111.04429	1.0
111.08066	3.1
112.33945	0.6
115.03947	0.8
115.05434	8.1
116.05682	1.3
116.06360	1.0
117.01859	2.0
117.07030	16.5
118.07296	3.0
119.04944	1.3
119.08578	79.6
120.08919	2.2
121.06502	10.6
121.10136	30.2
122.06873	2.2
122.10450	0.9
123.08061	7.8
123.11712	5.8
125.05939	0.7
125.09623	1.7
127.03914	34.9
127.11189	0.7
128.04251	11.9
128.06209	10.6
129.01833	1.6
129.07068	11.5
130.07393	3.7
131.04935	3.4
131.08566	38.3
132.05264	1.0
132.08871	4.6
133.06491	4.8
133.10123	29.0
134.10464	1.3
135.08057	11.2
135.11693	10.5
136.08415	2.3
137.05986	1.8
137.09590	5.5
137.13235	1.8
139.07581	0.9
141.06978	6.5
141.09171	0.7
142.07823	8.3
143.08572	20.4
144.09364	3.1
145.04964	14.5
145.06439	4.1
145.10117	41.9
146.05327	5.6
146.06850	1.9
146.10500	2.2
147.02884	1.7
147.08051	9.2
147.11681	19.3
148.08469	0.8
148.11958	0.6
149.09627	6.3
149.13248	7.1
151.07555	2.3
151.11150	1.7
153.07014	3.9
153.09142	1.7
154.07364	4.3
155.06030	1.0
155.08557	8.5
156.09238	6.0
157.06528	1.3
157.10126	22.0
158.07024	0.7
158.10776	2.7
159.02896	6.6
159.08090	5.6
159.11684	26.1
160.03242	2.1
160.08469	0.9
160.12131	1.6
161.09628	7.6
161.13248	16.8
163.07576	2.0
163.11209	2.4
163.14819	6.0
165.06972	1.5
165.12764	1.5
166.07437	1.7
167.08536	3.3
167.10814	0.8
168.09248	3.0
169.10129	9.3
170.10938	3.5
171.08029	2.0
171.11682	14.3
171.13072	1.0
172.08530	1.2
172.12273	1.5
173.09628	5.2
173.13258	17.9
174.10027	1.4
174.13641	1.1
175.07645	0.6
175.11227	4.0
175.14813	15.3
177.08995	1.0
177.12779	3.3
177.16382	4.9
179.08394	1.0
179.10681	0.9
179.14325	1.9
181.10097	2.4
182.10849	2.2
183.07912	0.8
183.11699	6.6
184.08525	0.9
184.12355	2.1
185.09589	2.4
185.13243	10.1
185.14760	0.8
186.13666	0.9
187.11212	2.3
187.14813	40.6
188.15228	1.9
189.03951	2.1
189.09079	1.0
189.12755	7.1
189.16380	13.8
191.10699	1.2
191.14308	6.4
193.10080	1.3
193.15796	0.9
195.08057	0.9
195.11684	2.5
196.12376	1.1
197.13237	6.8
198.13734	0.9
199.11169	2.0
199.14804	14.9
200.11627	1.3
201.09294	0.7
201.12759	7.4
201.16389	18.7
202.13098	4.8
202.16721	1.1
203.14311	37.7
203.17874	3.8
204.14746	1.8
205.12114	0.7
205.15872	11.9
207.11676	1.7
207.13637	1.0
208.12331	0.8
209.09625	0.9
209.13193	2.9
211.11212	1.2
211.14787	4.3
212.11588	0.8
213.03973	1.3
213.12817	0.7
213.16373	12.7
214.13383	0.7
215.14308	8.2
215.17870	3.6
216.14656	0.8
217.15877	14.6
218.16200	0.6
219.13826	1.3
219.17415	3.9
221.13347	0.8
221.15347	1.4
223.14938	1.5
225.12859	0.8
225.16389	3.5
227.14365	1.3
227.17941	4.6
228.14772	0.8
229.15848	9.3
229.19466	1.4
230.16243	1.3
231.04987	8.1
231.13832	1.1
231.17398	7.0
232.05348	5.6
233.15327	5.5
237.14583	5.0
239.17885	3.0
241.15961	2.1
241.19547	2.1
243.17542	1.5
243.21077	0.6
244.14185	0.9
245.15366	2.6
245.19052	1.1
247.16963	3.3
249.06120	2.7
249.18512	0.9
250.06415	2.1
251.18033	1.2
253.19525	2.7
255.13708	0.7
255.17470	1.0
255.21004	0.9
256.14105	0.8
257.19019	2.1
259.17090	0.8
265.19681	0.8
267.21176	1.3
271.20483	1.3
273.18521	1.1
275.16479	0.9
277.17798	0.7
281.19080	0.7
281.22629	1.4
283.20468	1.1
292.13986	0.7
305.23080	0.9
307.20758	0.7
307.24268	0.9
309.22064	1.0
309.25500	0.9
310.15085	1.2
325.25214	1.4
327.23361	1.0
349.25394	0.7
353.24823	1.4
365.28568	1.0
385.28857	1.0
387.30515	0.9
391.29990	0.8
393.31689	1.5
403.30005	7.1
405.31577	2.5
411.28723	0.8
419.29599	0.9
421.30975	10.3
422.31064	0.6
423.32611	3.4
431.29391	3.3
437.30435	3.1
439.32092	5.3
441.15341	1.4
441.32935	1.0
449.30493	7.9
450.31256	0.7
467.31516	17.1
468.32059	2.6
485.14099	6.4
485.32608	100.0
486.14832	0.8
486.32849	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	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.02381	0.9
53.03945	1.5
53.25608	0.6
53.26390	0.6
55.01872	1.8
55.05517	9.9
57.03424	0.8
57.07066	1.7
59.05009	0.6
65.03942	2.8
67.05510	22.0
67.05878	1.1
69.03085	0.7
69.03434	9.3
69.07074	11.6
69.12001	5.2
69.20924	0.6
71.04993	3.0
72.52020	0.6
77.03929	1.2
79.05055	1.1
79.05499	15.2
81.03434	3.7
81.07063	28.5
82.07396	0.9
83.04987	6.4
83.08617	4.0
85.02901	3.3
85.06537	1.7
86.06857	0.5
87.00826	1.3
91.05485	24.7
92.05787	0.6
93.07049	34.5
94.07356	1.1
95.04068	0.7
95.04975	37.2
95.08613	69.5
96.08959	1.4
97.02906	1.6
97.06531	6.8
97.10152	1.4
99.04460	2.8
99.08115	1.4
103.05466	1.8
105.01860	0.9
105.04551	1.2
105.07036	48.9
106.07347	0.8
107.04960	1.1
107.08598	35.0
109.02890	1.2
109.06514	7.7
109.10162	20.6
111.08083	2.1
115.05436	1.6
116.06233	1.2
117.07021	10.3
119.08587	77.9
120.08946	1.9
121.06514	6.9
121.10152	25.3
122.10493	0.7
123.08065	8.9
123.11712	7.5
125.09648	3.4
125.12434	0.5
127.03927	2.5
127.07526	1.4
128.06252	3.4
129.07022	7.3
130.07802	2.3
131.08580	27.7
133.06511	2.1
133.10136	31.9
135.08078	7.1
135.11705	11.2
137.09622	4.7
137.13301	1.8
141.06993	2.5
142.07784	5.1
143.08565	16.2
143.10664	0.8
144.09344	2.0
145.04955	0.6
145.06488	2.3
145.10135	36.3
147.08066	10.4
147.11693	19.0
149.09624	6.6
149.13245	7.5
151.07573	0.7
151.11194	2.2
153.09079	1.4
155.08592	6.1
156.09361	4.5
157.10141	21.1
157.11429	1.2
158.10864	2.2
159.08096	2.9
159.11700	24.4
160.11989	0.6
161.09644	7.7
161.13272	16.4
161.14563	1.3
162.13647	0.9
163.07542	2.1
163.11195	3.2
163.14806	6.2
165.09169	1.1
165.12767	1.5
167.08543	1.4
167.10722	0.8
168.09436	0.9
169.10153	9.1
170.10907	3.0
171.08133	0.9
171.11691	13.1
172.12238	0.8
173.09717	3.0
173.13263	17.4
173.25244	0.6
174.10307	0.6
175.07695	0.8
175.11212	3.6
175.14836	14.1
177.12790	2.6
177.16356	4.9
179.08546	0.7
179.10616	0.6
179.14349	2.4
180.09386	0.6
181.10123	1.9
182.10921	1.9
183.11682	5.4
184.12456	1.3
185.09718	0.7
185.13240	9.5
186.13701	0.6
187.11237	2.5
187.14833	36.9
188.11971	0.7
188.15204	1.0
189.12756	7.3
189.14212	0.6
189.14563	0.7
189.16382	11.4
190.13272	0.7
191.10645	0.7
191.14293	4.9
193.10123	0.9
193.15903	1.1
195.11710	2.5
196.12395	0.8
197.13295	6.4
199.11151	0.6
199.14822	13.6
200.15228	0.5
201.12761	2.6
201.16409	18.2
202.16666	0.9
203.14326	36.4
203.17996	3.2
204.14690	1.5
205.12305	0.8
205.15912	11.7
207.11717	0.6
207.13956	0.6
209.13315	2.4
211.14815	5.4
213.12764	0.9
213.16388	12.2
215.10774	0.6
215.14340	8.4
215.17909	4.5
216.14726	0.6
217.12347	0.9
217.15895	15.0
218.16254	1.0
219.13895	1.6
219.17447	8.1
221.13342	0.9
221.15378	1.1
221.47229	0.5
223.14827	2.1
225.16357	3.2
227.14343	2.2
227.17928	4.4
229.15889	8.3
229.19551	1.7
231.13823	1.6
231.17441	7.0
233.15381	5.2
235.14749	0.7
235.16930	1.0
237.09282	0.6
237.16402	1.7
237.18539	1.3
239.17995	3.0
240.18192	0.6
241.15915	1.4
241.19624	2.5
243.17517	2.2
243.20963	0.7
245.15323	1.7
245.19086	2.1
247.17014	2.6
249.14854	1.2
249.18602	0.8
250.12395	0.5
251.18007	1.0
253.19600	3.3
254.19843	0.6
255.17548	1.1
255.21143	0.7
257.19086	1.7
259.16980	1.6
265.19589	1.3
267.21048	1.1
269.18942	0.8
271.20660	1.3
273.18622	1.3
281.18954	1.0
281.22498	0.9
283.20477	0.7
285.22147	0.9
291.20941	0.8
299.20221	1.1
305.22720	0.8
307.20850	0.7
307.24261	1.5
327.23264	0.8
339.27075	0.9
353.24982	0.7
375.30432	1.4
385.28687	1.6
387.30368	0.7
403.29977	6.6
404.30200	0.7
405.31525	2.6
413.28336	0.6
421.31067	9.3
422.31137	1.2
423.32846	3.5
424.33008	0.8
431.29453	2.2
437.30508	2.2
439.32196	4.6
441.20880	0.9
449.30576	6.8
450.30795	1.2
467.31595	16.9
468.31772	2.1
485.20584	2.8
485.32657	100.0
486.33005	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	485.3261
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
52.54634	1.1
53.03938	2.9
55.01873	1.4
55.05506	8.2
57.07069	1.9
65.03937	3.8
67.05505	23.9
68.97193	0.9
69.03431	9.1
69.07063	11.4
69.09698	5.2
69.10120	4.0
71.04996	1.5
79.05483	17.3
80.13325	1.2
81.03414	2.3
81.07056	28.8
82.07403	1.2
83.04979	5.9
83.08622	3.3
85.06566	1.0
91.05470	24.5
93.07043	33.8
95.04357	2.0
95.04966	40.8
95.08604	85.7
96.05311	1.1
96.08935	2.1
97.06525	7.3
97.10172	1.7
99.04458	3.8
99.08081	1.2
103.05497	1.7
105.04547	1.3
105.07027	50.8
106.07354	1.2
107.04958	2.6
107.07850	1.9
107.08588	38.4
109.06523	8.2
109.10136	19.9
111.08081	3.3
115.05468	1.6
116.06228	1.8
117.07013	9.9
119.08577	91.3
120.08949	1.1
121.06503	7.3
121.10143	27.5
122.10509	1.3
123.08047	8.4
123.11671	6.4
125.06002	1.6
125.22249	1.0
128.06218	4.1
129.07004	8.3
130.07800	3.4
131.08569	33.7
133.06500	3.7
133.10117	32.9
135.08055	8.1
135.11694	10.8
137.09605	5.0
137.13246	2.1
141.07028	1.9
142.07773	4.6
143.08578	20.3
144.09349	1.6
145.06512	2.1
145.10121	41.9
146.10440	1.7
147.08043	9.8
147.11690	18.0
149.06049	1.2
149.09621	7.1
149.13269	5.0
153.09113	1.1
155.08556	6.7
156.09341	3.6
157.10114	23.2
158.10854	3.6
159.08086	3.2
159.11682	26.2
160.11989	1.7
161.09563	5.5
161.13254	17.8
162.13560	1.7
163.07599	1.4
163.11197	2.0
163.14824	6.4
165.12679	2.2
167.08586	1.5
169.10161	7.9
170.10921	2.6
171.08049	1.2
171.11668	13.7
172.12392	1.9
173.09682	2.7
173.13242	20.8
175.11159	2.5
175.14812	19.2
177.12732	3.1
177.16425	4.7
181.10085	2.2
182.10823	1.6
183.11699	7.8
184.12503	2.7
185.13245	10.1
187.11208	2.7
187.14818	37.9
188.15259	2.2
189.12730	9.3
189.16373	14.9
191.14272	6.0
193.15900	1.1
195.11661	2.4
196.12564	1.5
197.13324	6.8
199.11446	1.0
199.14827	14.9
201.12701	2.5
201.16371	18.1
203.14313	48.2
203.17993	3.1
204.14639	1.9
205.15886	15.7
207.13898	1.6
209.13246	1.4
211.14853	6.0
213.12947	1.5
213.16368	14.6
215.14313	10.7
215.17976	4.3
217.15865	15.3
219.17395	2.9
221.15271	2.1
223.14888	1.8
225.16464	5.0
227.14328	2.3
227.17909	5.4
229.15894	9.6
229.19591	1.9
231.13789	1.7
231.17451	8.0
233.15327	6.3
235.14876	1.4
235.17049	1.7
237.16354	1.8
239.18019	4.3
241.15894	1.6
241.19583	1.7
243.13841	1.2
243.17497	1.3
245.15453	3.0
247.16998	3.6
249.14793	1.4
250.68481	1.1
251.17889	1.7
253.19576	3.2
255.21193	1.8
257.18970	2.0
259.16910	3.6
263.17960	1.3
267.21161	1.8
269.19009	1.4
271.20572	2.0
279.21045	1.2
285.22092	1.3
291.21017	2.0
307.24326	2.2
323.27008	1.3
347.27625	1.3
385.28751	1.8
393.31839	1.7
403.29910	8.6
405.31351	2.7
421.31018	13.0
423.32587	4.1
431.29346	2.9
439.31754	6.2
449.30664	7.6
467.31522	17.5
468.31656	2.1
485.32614	100.0
486.32953	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	485.3263
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
52.23335	1.1
53.03943	2.7
55.01881	1.2
55.05511	8.6
57.03442	1.4
57.07063	2.0
65.03935	3.2
67.05508	21.1
69.03429	7.6
69.07067	9.8
69.60304	0.9
71.04994	2.1
71.08623	3.6
72.08965	0.9
73.02927	1.2
77.03901	1.1
79.05054	1.6
79.05493	17.9
80.05848	0.8
81.03429	2.7
81.07059	24.7
83.04959	4.0
83.08617	3.5
85.02905	3.4
85.06550	1.0
91.05483	22.4
93.07048	36.5
95.04364	1.6
95.04971	33.0
95.08609	70.8
96.08845	1.1
97.02901	2.3
97.06527	6.4
97.10193	2.0
98.22523	1.4
99.04458	1.4
99.08087	7.9
100.08426	3.0
103.05470	1.9
105.07030	44.3
106.07336	1.1
107.04967	1.7
107.08598	33.9
109.06523	8.5
109.10151	18.0
111.08114	2.8
113.06080	1.1
115.05474	1.8
116.06263	1.4
117.07009	8.8
119.08583	77.8
120.08899	1.6
121.06512	6.6
121.10143	24.7
123.08080	8.7
123.11696	5.4
125.09666	1.4
127.03997	0.9
128.06235	3.0
129.07028	7.9
130.07843	1.6
131.08574	29.3
133.06500	2.4
133.10129	30.8
135.08063	5.3
135.11702	10.2
137.09647	3.9
137.13200	1.5
141.07034	1.8
142.07809	3.6
143.08556	16.4
144.09335	1.9
145.06516	0.9
145.10127	40.8
147.08063	7.9
147.11696	15.8
149.09601	5.8
149.13272	5.4
151.11212	1.0
154.07820	1.0
155.06148	1.0
155.08559	7.2
156.09323	3.8
157.10129	19.5
158.10878	2.6
159.08061	4.6
159.11702	23.1
160.12054	1.0
161.06010	0.9
161.09590	5.4
161.13264	17.8
163.07549	1.5
163.11180	2.5
163.14795	5.2
166.43394	1.0
167.08670	1.0
169.10133	6.6
170.10884	1.4
171.11690	12.9
172.12379	1.8
173.09644	3.0
173.13266	16.7
173.15390	2.1
174.15742	2.1
175.11243	4.1
175.14822	14.6
177.09019	1.2
177.12822	2.0
177.16391	4.3
179.14314	2.5
181.10156	1.5
182.10973	1.8
183.11700	5.7
184.12549	1.4
185.13243	10.2
187.11163	2.1
187.14824	39.3
188.15196	1.4
189.12759	7.1
189.16391	12.2
189.18028	1.0
191.14359	4.7
191.18034	1.2
195.11757	2.4
196.12444	1.5
197.13269	6.4
199.11325	1.1
199.14824	13.3
201.12770	3.2
201.16377	18.7
203.14310	35.5
203.17802	1.9
204.14600	1.0
205.15857	12.9
207.13751	1.4
209.13339	2.1
211.14769	4.3
213.12898	2.0
213.16368	12.1
214.16759	1.2
215.14389	8.9
215.17966	5.4
217.15894	14.7
217.19460	1.0
219.11757	1.4
219.13805	1.6
219.17494	2.4
221.13353	1.3
221.15427	1.9
223.14853	1.9
225.16446	4.1
227.14342	2.4
227.17851	6.0
228.99736	0.8
229.15944	7.0
229.19643	1.7
231.13910	1.2
231.17490	7.1
233.15398	5.2
235.16925	1.1
237.16472	1.7
239.17979	3.5
241.15918	1.6
241.19478	1.7
243.17447	1.9
245.15356	3.0
245.19003	1.7
247.16997	3.6
251.18172	2.2
253.19620	2.9
257.19186	1.9
259.16992	1.1
263.43417	0.9
265.19614	1.4
267.21118	1.3
271.20593	1.0
279.21127	1.2
281.22675	1.0
307.24246	1.2
327.23297	1.0
365.28223	1.1
385.28714	2.5
391.30048	1.6
393.31827	1.5
403.29962	5.2
405.31488	2.5
413.28418	0.9
421.30957	11.3
422.31546	1.8
423.32629	4.1
431.29562	3.1
437.30576	2.6
439.32092	4.0
441.21027	0.9
449.30426	8.1
458.63275	1.0
467.31586	17.0
485.32635	100.0
486.33054	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	485.3626
Annotation	Methyl kulonate
Peak:m/z	Relative Intensity
50.62410	0.5
53.03950	0.6
55.05513	2.3
57.07084	0.9
64.19471	0.4
67.05511	4.3
69.07057	4.9
69.07724	1.9
71.05007	2.8
79.05495	3.8
81.07060	9.8
83.08622	3.1
85.06548	1.7
91.05481	4.7
93.05277	0.4
93.07050	9.2
95.04995	0.6
95.08612	15.2
97.06547	1.0
97.10189	0.7
98.23319	0.9
105.07030	10.8
107.08604	14.3
108.08952	0.6
109.06529	2.0
109.10165	9.8
111.08097	1.2
111.11714	0.7
114.47639	0.4
117.07053	0.8
119.08583	17.1
119.09446	0.9
120.08925	0.5
121.06493	0.7
121.10156	10.2
123.08075	1.5
123.11723	5.0
124.53444	0.5
126.39177	0.4
127.11208	0.9
129.07022	0.7
131.08554	4.2
133.09219	0.5
133.10135	12.7
134.10458	0.5
135.08052	1.0
135.11700	10.7
136.12051	0.5
137.09639	1.0
137.13269	1.7
139.11267	0.5
143.08539	2.5
144.09409	0.5
145.10130	6.3
147.08083	1.2
147.11693	13.2
148.12038	0.9
149.09584	0.7
149.13257	4.8
151.07550	4.2
151.11180	1.3
155.08562	0.8
157.10162	2.8
159.11696	6.9
161.09647	1.5
161.13260	7.1
163.11214	0.7
163.14819	2.3
165.09116	0.7
169.10181	0.9
170.11049	0.5
171.11714	2.7
173.13309	3.5
175.11143	0.6
175.14845	5.1
177.12759	6.1
177.16356	1.3
183.11676	0.8
184.12320	0.5
185.13248	3.4
187.14810	6.6
189.12766	1.4
189.16388	17.8
190.16800	0.8
191.17957	2.7
197.13286	1.6
199.14833	2.9
201.12556	0.5
201.16403	3.8
203.14340	9.0
203.17955	12.2
204.18407	0.6
205.15898	2.5
207.17548	0.6
211.14783	1.0
213.16451	1.4
215.14427	0.6
215.17978	1.3
217.15945	1.2
217.19524	0.9
218.16391	0.6
221.15382	2.5
221.18961	1.0
225.16370	0.9
227.18063	1.5
229.15924	0.8
229.19675	0.5
231.17503	1.0
241.19463	0.6
243.17424	0.7
253.19521	1.5
255.21101	0.7
257.19159	0.5
267.21237	0.6
271.20596	2.6
273.22302	0.7
279.21249	0.5
281.22739	0.6
297.22171	0.7
299.23801	0.8
300.11700	0.5
311.23969	0.5
351.26947	0.6
389.32220	1.7
407.33139	9.8
417.29788	0.7
425.34570	2.2
467.35001	2.5
468.35144	0.6
485.36246	100.0
486.36655	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	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
57.03430	1.5
57.07072	4.6
60.63830	1.2
67.05500	13.4
68.98073	1.0
69.07068	13.2
70.06608	2.4
70.07407	1.5
71.04993	3.2
71.08616	1.8
71.29217	1.2
79.05489	7.5
81.07056	30.1
83.05017	1.6
83.08623	4.7
85.06558	2.7
87.04470	1.4
88.07635	3.6
91.05470	10.3
93.07043	21.7
95.04955	5.3
95.08607	53.5
96.08933	1.7
97.06518	6.4
97.10199	3.3
99.08105	1.9
102.09195	2.5
104.39285	1.2
105.07037	25.4
107.08591	35.3
109.06542	3.9
109.10159	28.2
111.08079	16.8
111.11722	3.1
113.09647	1.3
117.07031	3.2
118.61073	1.0
119.08585	35.6
121.06568	2.1
121.10146	32.4
123.08099	6.7
123.11703	17.3
125.09637	2.7
129.00404	1.1
131.08580	8.7
133.10135	34.1
134.60484	1.2
135.08084	3.8
135.11699	31.6
135.12672	2.3
137.09633	3.6
137.13295	4.7
139.07587	2.0
139.11169	3.2
143.08488	1.6
144.09357	2.2
145.10130	18.9
147.08070	1.3
147.11696	13.3
149.09625	4.6
149.13283	9.2
151.11201	2.8
151.14868	1.4
157.10199	3.9
159.11710	24.3
159.12990	1.8
161.09662	1.8
161.13269	12.0
163.11212	4.6
163.14787	5.4
167.14610	1.1
171.11717	4.3
173.13251	14.6
174.14049	1.4
175.11186	1.3
175.14821	14.2
177.12764	2.6
177.16411	5.7
183.11664	2.0
185.13368	1.9
187.11209	3.4
187.14862	4.6
189.12764	2.0
189.16391	20.7
191.14326	2.3
191.17952	13.6
193.15950	1.4
199.14822	1.7
200.20100	3.7
201.12680	1.6
201.14554	1.8
201.16382	19.6
201.20541	2.1
203.14349	1.3
203.18111	1.8
205.15897	2.8
207.17448	100.0
208.17873	3.7
211.14835	1.8
213.16461	1.4
215.18019	1.9
219.17442	19.8
227.17854	2.5
228.23225	2.7
229.23529	2.6
233.15489	2.2
233.18999	1.6
235.16949	2.8
237.18492	2.6
245.19159	1.6
253.19650	1.5
257.18997	1.4
271.62451	1.2
279.19592	8.0
283.26352	2.4
284.26624	2.0
285.22122	2.7
311.29486	2.9
312.29739	1.7
370.29697	1.5
389.31750	1.6
407.33115	5.3
425.34128	4.5
454.08841	1.2
467.35260	9.8
473.70331	1.2
484.47333	3.2
485.36334	86.8
485.46786	13.7
486.36505	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	486.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	2.2
53.03948	13.6
55.01877	23.1
55.05274	2.4
55.05513	28.6
57.03426	9.8
57.07067	4.1
61.02920	8.5
65.03935	9.7
67.05504	38.7
68.99768	6.4
69.03088	3.5
69.03432	57.4
69.07066	11.8
70.06598	2.7
71.01357	2.5
71.04991	34.0
71.30656	3.9
72.30424	2.2
73.02910	8.2
77.03905	2.5
79.05494	35.0
81.03421	38.2
81.07059	43.7
83.04976	30.6
83.08616	5.8
85.02906	100.0
85.03436	4.7
85.06536	8.0
87.00836	42.8
87.04479	2.9
91.03945	2.9
91.05482	71.5
92.05805	2.9
93.03417	13.6
93.07045	37.4
94.07352	2.8
95.04972	51.1
95.08609	55.6
95.09224	2.9
96.05283	3.4
96.08941	9.4
97.02895	29.6
97.06525	9.1
97.10152	2.8
99.04462	15.8
99.08090	4.0
103.05476	7.1
105.01872	37.4
105.03391	66.8
105.04494	5.0
105.07031	53.0
106.07354	5.0
107.04958	9.0
107.08608	23.5
108.04507	3.3
109.02881	32.6
109.06537	10.5
109.10131	17.9
110.10484	2.9
111.04453	2.7
111.08086	15.1
113.72968	1.9
115.05488	10.5
116.06283	4.0
117.01868	3.7
117.07037	26.2
119.04966	4.5
119.08582	53.9
119.09434	3.2
120.08903	9.8
121.06512	22.7
121.10128	14.8
122.10409	2.2
123.08059	9.1
123.11695	4.5
124.12051	2.4
125.09647	4.0
127.03915	53.4
128.06223	21.0
129.01843	6.5
129.07030	22.1
130.07791	5.5
131.04900	7.3
131.08554	25.0
132.08890	5.3
133.06508	6.6
133.10138	26.5
134.10498	2.3
135.04390	2.3
135.08058	13.0
135.11681	8.7
137.06006	5.6
137.09589	19.3
141.06984	10.4
142.07774	6.7
143.08569	19.4
144.08871	3.1
145.04959	21.7
145.06499	6.8
145.10155	21.6
146.10448	7.1
147.08025	17.4
147.11694	10.9
149.05946	3.2
149.09615	7.7
149.13177	2.2
155.08533	6.9
155.10635	14.0
156.09288	3.0
157.06488	6.2
157.10147	16.8
158.10493	4.5
159.02870	15.9
159.08041	7.4
159.11714	15.3
160.12051	5.7
161.09628	17.6
161.13284	7.3
163.07584	3.5
163.11185	6.7
167.08572	3.7
169.10045	4.2
170.10674	2.9
171.08104	8.9
171.11696	6.9
172.13997	2.2
173.09631	5.5
173.13264	6.4
174.13702	3.7
175.07610	3.2
175.11211	6.0
175.14836	5.9
177.09059	3.1
177.16318	2.6
181.10139	3.8
181.12248	2.1
183.08075	2.6
183.11688	3.7
184.12212	3.7
185.09572	9.0
185.13258	4.6
187.14868	11.0
188.15088	5.4
189.12759	4.1
189.16295	3.0
190.16672	2.4
199.11147	5.2
199.14796	5.1
200.15253	2.2
201.12723	3.6
201.16382	5.5
203.10680	19.5
203.14299	14.8
204.14651	5.5
207.14091	2.8
213.03775	2.7
213.16402	3.6
217.15863	5.7
221.15431	6.6
227.14238	3.4
231.05038	9.2
245.15346	7.1
263.16293	3.1
311.16122	3.8
468.31989	3.6
485.32504	2.9
486.27841	3.3
486.33124	29.0
487.33844	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	486.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11827	2.7
53.00294	3.2
53.03946	16.0
55.01883	16.8
55.05519	24.0
57.03432	5.9
61.02929	7.3
63.45537	2.8
65.03944	9.5
66.86529	3.0
67.05508	44.1
68.99787	5.9
69.03081	4.0
69.03433	51.1
69.07074	11.7
69.74251	12.9
70.06586	3.0
71.04998	31.9
73.02914	9.2
79.05492	32.2
81.03414	36.9
81.07066	32.0
83.04990	30.2
85.02906	100.0
85.06544	8.8
87.00835	37.5
91.05484	57.9
93.03423	11.0
93.07050	31.6
95.04975	42.6
95.08604	51.4
96.05318	3.7
96.08935	5.2
97.02898	26.8
97.06513	7.5
99.04458	10.9
99.08089	6.4
103.03983	3.1
103.05486	6.1
105.01872	40.1
105.03399	39.4
105.04503	3.5
105.07034	50.5
107.04964	10.1
107.08584	20.2
109.02882	29.6
109.06546	5.7
109.10163	23.0
110.10503	3.2
111.08071	16.0
115.05447	7.9
116.06216	3.2
116.10712	3.0
117.07035	21.0
119.04974	6.1
119.08582	42.3
120.08892	6.6
121.06503	20.8
121.10155	16.3
122.10499	2.8
123.08080	10.8
123.11749	3.5
125.09608	4.3
127.03916	59.9
128.06224	17.4
129.01852	4.7
129.07002	24.6
131.04939	6.1
131.08572	20.9
133.06499	7.3
133.10115	21.2
134.10506	6.6
135.04413	3.0
135.08075	11.8
135.11699	6.7
137.09615	23.1
141.06982	7.7
142.07802	9.4
143.08566	18.6
145.04958	24.2
145.06523	6.5
145.10112	14.1
146.10538	3.8
147.08038	23.3
147.11717	11.5
149.09633	5.9
149.13219	4.5
151.11259	4.5
155.08562	8.1
155.10651	18.2
156.09302	3.2
156.19484	2.8
157.10172	17.2
159.02943	15.8
159.08093	7.8
159.11723	10.6
161.09633	12.9
161.13297	5.9
163.07576	3.3
163.11240	7.0
165.07056	3.1
169.10027	3.4
171.08046	7.3
171.11678	5.9
173.09662	6.4
173.13309	6.6
174.13678	3.6
175.11229	6.7
175.14882	5.2
177.12772	3.2
181.10266	2.9
184.50929	2.7
185.09659	5.8
185.13321	6.7
187.14970	4.8
189.09065	4.3
189.16389	4.0
199.11221	3.8
199.14915	4.3
201.12779	3.0
201.16269	3.4
203.10674	13.0
203.14401	16.6
215.14366	3.6
217.15862	3.6
219.14081	2.9
221.15367	7.0
231.05090	15.7
245.15355	8.0
249.06044	5.4
263.16562	4.3
287.16541	4.5
385.15903	3.2
422.31311	3.0
468.31802	4.5
486.27148	3.5
486.33090	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	487.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01310	0.6
53.03939	1.3
55.05499	2.0
56.96547	1.3
59.56808	0.7
61.05935	0.7
67.05489	2.0
67.73696	0.6
69.00892	0.8
69.03423	2.5
69.07047	1.1
70.06580	2.4
71.05021	0.9
71.31779	0.7
72.08148	2.9
79.05479	2.3
81.03424	1.6
81.07042	4.7
84.04518	0.8
84.08141	1.4
85.02902	2.4
85.06551	1.6
86.09707	6.1
91.05486	3.7
93.07024	3.5
95.04970	1.0
95.08605	4.8
97.02883	1.7
97.06520	1.5
105.07047	3.4
107.08585	3.5
109.02905	0.9
109.10143	2.7
111.33160	0.8
115.05458	0.8
119.04929	0.9
119.08598	6.6
121.10134	2.6
123.11675	0.9
125.09615	0.9
131.04926	0.7
131.08537	2.9
133.02843	2.0
133.10110	3.1
135.07993	0.9
135.11728	1.4
137.05960	3.4
137.09689	0.9
143.08551	1.9
145.02815	1.1
145.10129	4.4
147.07994	1.1
147.11673	2.8
149.05998	1.0
155.08542	0.9
157.10088	1.6
159.08095	0.8
159.11661	3.2
161.09567	1.0
161.13284	1.8
163.03894	2.8
167.07043	0.9
169.10071	1.5
171.11668	1.4
173.13245	2.5
175.03877	1.3
175.11168	0.7
175.14832	2.1
177.05531	1.6
177.16254	0.7
180.14447	0.7
183.11768	0.8
185.13214	1.8
187.07411	1.0
187.14912	3.5
189.16444	0.8
199.14830	1.2
201.05353	1.1
201.16441	1.9
203.14307	2.2
205.15916	1.3
213.16257	1.1
217.04201	0.7
217.15904	1.1
219.13814	1.3
219.17384	1.1
221.15227	1.2
239.16208	1.0
265.07651	0.7
281.10675	2.9
283.08591	1.9
307.08676	1.6
325.10468	3.1
335.09473	1.4
405.31549	0.9
407.32895	0.9
443.22330	2.2
451.32285	1.1
469.14926	0.9
469.33575	1.0
486.32773	1.3
487.15613	100.0
487.21677	21.6
488.16049	7.6
488.22214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03265	2.2
57.03436	2.6
69.03432	14.2
69.07072	6.4
69.42419	19.3
69.75985	2.6
70.06599	6.2
70.72931	2.5
71.05016	6.5
72.08158	4.8
81.03427	17.0
84.08144	6.1
85.02919	10.0
86.09711	11.8
98.23379	4.8
98.97610	9.8
99.04444	6.8
129.10216	4.2
137.05977	3.5
145.07608	4.4
147.09169	5.8
149.09636	5.5
150.34547	2.7
163.03882	6.2
170.16956	2.4
173.07190	9.2
175.08693	5.9
179.03427	3.5
185.80913	2.5
190.87639	3.0
191.08167	100.0
261.12338	3.4
307.12900	28.0
325.13937	63.0
334.04559	3.4
401.14810	3.0
487.14127	2.8
487.24896	10.9
505.17615	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14841	0.3
52.20238	0.4
53.03958	0.5
55.05503	0.5
67.05500	1.4
69.03428	1.0
69.07066	1.2
69.15587	2.5
71.05000	0.5
79.05504	0.5
81.03424	0.6
81.07067	1.7
83.05001	0.4
83.08652	0.4
85.02919	0.9
89.10488	0.3
91.05461	0.7
93.07062	1.9
95.04933	0.5
95.08603	1.8
97.02901	0.4
98.23382	0.8
99.08100	0.4
105.07040	1.2
107.08611	2.3
109.10152	1.3
111.04224	0.4
114.57543	0.4
115.02092	0.3
119.08603	1.6
121.06487	0.4
121.10181	1.7
123.11713	0.8
131.08563	0.6
133.10146	0.8
135.08115	0.6
135.11691	1.0
136.67523	0.4
143.08527	0.6
145.10126	1.4
147.11670	0.8
155.08568	0.4
157.10152	0.5
159.11720	1.1
173.13318	0.7
187.14885	0.4
205.10141	0.6
215.18138	0.6
227.05254	0.8
239.16246	1.4
241.51190	0.3
245.06372	0.7
271.04279	0.8
289.05304	0.5
313.16171	2.8
355.17230	4.5
399.16125	3.8
401.21548	3.7
443.22537	17.2
444.22888	1.3
465.84433	0.4
469.33490	0.9
487.21509	100.0
488.14740	0.6
488.21848	7.2
488.28476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.1
55.01875	9.2
55.05508	14.6
61.02934	4.0
67.05506	17.4
68.99775	4.5
69.03438	22.1
69.07062	19.1
71.04991	35.4
71.40412	4.8
73.02928	6.5
79.05483	35.3
79.42089	3.3
81.03433	17.4
81.06582	5.1
81.07059	100.0
83.04978	6.3
83.08632	8.0
84.10403	3.5
85.02912	44.3
85.06548	9.5
86.03257	3.5
87.00822	26.0
91.05482	23.8
93.07044	48.2
94.07446	3.7
95.04977	7.2
95.08609	58.2
97.02911	17.2
97.06539	8.3
99.04443	7.6
99.08121	7.0
103.87464	3.1
105.01874	12.8
105.07025	48.1
106.07375	3.3
107.04990	4.5
107.08595	79.5
107.09283	6.2
108.08852	3.1
109.02899	16.2
109.06533	6.3
109.08849	3.4
109.10162	50.2
111.08077	6.0
112.58282	3.2
113.09724	4.2
117.07036	4.3
119.08590	58.2
120.08961	4.2
121.06525	3.5
121.10149	24.4
122.10474	4.4
123.08108	6.2
123.11703	32.2
125.09676	3.9
127.03908	24.1
127.11196	10.6
130.31445	3.0
131.08585	14.9
133.10141	45.3
134.10497	6.1
134.50949	2.9
135.08098	6.2
135.11693	89.5
137.06007	6.4
137.09578	8.5
137.13318	5.1
139.11157	3.9
143.08603	4.7
143.10770	5.7
145.04988	7.9
145.10132	16.8
147.07986	4.0
147.11682	26.2
149.13275	13.6
153.12746	64.7
154.13029	3.2
155.08623	4.4
157.10104	6.2
159.02896	8.7
159.11685	12.9
161.09615	4.1
161.13205	15.1
163.14836	4.9
165.12863	3.5
169.10075	3.5
171.11641	6.9
173.09613	3.9
173.13295	9.1
175.14844	5.7
185.13228	3.9
187.14813	10.1
189.16411	4.9
191.18022	4.7
197.13234	4.0
199.14842	5.4
201.16405	8.5
203.14304	9.2
203.18013	33.0
205.15948	3.8
209.18993	7.0
219.17305	3.8
221.18979	17.7
225.12828	4.4
229.19444	3.1
231.05011	3.8
239.20079	16.3
245.15466	3.7
310.33972	3.1
451.32538	3.5
469.29227	18.1
470.20169	3.5
487.30991	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	487.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.7
55.01869	8.4
55.05521	20.6
55.05768	4.2
57.03436	5.0
57.07072	5.1
61.02921	5.0
67.05500	18.7
69.03437	28.3
69.07070	18.7
69.19379	32.4
71.04998	25.7
79.05491	28.0
81.03408	13.6
81.06589	5.7
81.07065	91.6
83.04963	4.7
83.08620	7.4
85.02907	51.8
85.06559	6.7
87.00831	21.4
91.05463	22.6
93.07045	43.8
95.04966	8.9
95.08609	47.1
97.02887	17.8
97.06544	8.2
97.10217	5.0
99.04456	6.6
99.08115	7.7
99.26384	3.9
105.01862	10.9
105.07026	50.4
107.08596	67.8
109.02908	9.4
109.06495	4.8
109.10159	48.0
111.08103	7.1
115.03928	4.9
117.06985	7.0
119.08578	58.4
121.10169	31.0
122.10454	4.0
123.08064	6.5
123.11713	38.4
125.09610	5.5
127.03926	22.7
127.11217	15.3
131.08595	10.5
132.51979	3.8
133.10133	45.0
135.11694	100.0
135.12677	6.7
136.12105	4.4
137.05971	5.7
141.12762	6.0
143.08583	10.0
145.04991	11.3
145.10135	20.7
147.11659	27.9
149.13231	8.1
153.12730	64.5
155.08743	4.5
157.52953	3.8
158.46025	3.7
159.02934	11.9
159.11682	14.4
161.09645	4.6
161.13303	18.8
163.14856	6.7
165.12794	4.5
171.11720	10.7
173.13283	7.4
175.14835	6.7
177.16434	7.3
185.13266	5.7
187.14841	13.1
188.15161	3.7
191.17976	6.3
197.13483	4.1
201.12604	3.8
201.16393	4.3
203.14352	7.9
203.17978	34.5
205.19427	6.9
209.19017	5.4
221.19023	22.4
224.18761	3.8
231.05028	6.0
238.12674	4.1
239.19992	19.2
255.21150	3.8
377.05597	4.5
395.55371	4.3
423.32220	6.4
469.29303	20.2
487.18234	3.9
487.29965	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.9
55.01873	10.7
55.05512	29.2
57.03437	5.9
57.07077	13.6
57.85175	2.9
60.81449	2.2
61.02934	4.4
67.05511	24.8
68.99776	4.6
69.03433	34.5
69.07071	68.5
71.04980	20.2
72.67755	2.2
73.02917	6.1
79.05498	22.3
81.03422	33.0
81.07058	49.3
82.07401	4.8
83.04994	4.4
83.08613	26.2
85.02418	4.8
85.02908	58.4
87.00833	25.7
91.05468	14.8
92.05818	2.9
93.07047	41.0
94.07370	6.0
95.04977	10.4
95.08606	63.6
96.08948	7.7
97.02900	18.1
97.06559	21.6
97.10166	7.0
98.09580	2.7
99.04461	12.1
99.08107	2.8
105.01858	16.9
105.07047	24.9
107.08591	56.7
108.08944	8.3
109.02868	32.0
109.06526	11.5
109.10147	30.4
111.08080	9.8
111.11742	6.2
113.02431	2.5
115.03938	3.6
117.01862	4.4
117.07054	3.3
119.08590	39.0
120.08912	8.2
121.06545	3.6
121.10133	23.9
122.10459	3.0
123.08071	28.1
123.11708	20.1
124.08511	2.7
125.02366	2.4
125.09650	7.6
125.13281	25.3
127.03921	52.0
129.01894	4.8
131.08588	9.9
133.09264	3.8
133.10117	20.2
134.10460	4.6
135.08099	4.9
135.11688	52.8
136.12091	3.0
137.09650	7.8
137.13254	5.9
142.07838	3.1
143.08546	7.9
143.10658	4.0
145.04956	12.1
145.10121	11.5
146.10483	5.0
147.11700	18.6
149.09592	3.4
149.13264	21.2
151.11295	4.7
153.12741	29.3
157.10159	6.7
158.10533	3.4
159.02875	16.2
159.11716	9.7
161.13283	8.8
163.14856	7.6
165.12837	4.5
171.11737	3.5
173.13280	4.7
175.14893	5.0
177.12773	3.4
177.16354	5.1
185.13280	5.0
186.13420	3.1
187.14844	10.8
188.15193	9.2
191.17911	3.3
200.15109	3.8
201.16466	3.4
203.14334	6.3
203.17963	23.3
204.14613	5.1
205.19511	7.2
217.19588	3.2
221.19005	100.0
222.19379	4.0
223.20557	4.4
231.05130	3.6
231.17130	2.8
239.20073	6.4
311.19867	3.3
320.97906	2.4
326.23212	3.7
350.08676	6.0
364.10208	5.0
487.33420	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01874	7.1
55.05506	20.9
57.03434	9.9
57.07082	7.3
61.02942	6.0
67.05510	100.0
69.03423	8.2
69.07072	25.8
71.05006	5.9
78.77531	4.3
78.83374	4.2
79.05492	61.0
81.07057	77.4
83.08606	7.9
85.02915	7.8
85.06536	8.8
85.63168	4.8
91.05482	42.0
93.07039	84.1
95.04948	7.7
95.08616	74.2
97.06503	7.8
97.10159	7.1
99.08081	7.9
105.07032	29.7
107.08597	47.4
109.06504	9.2
109.10142	42.3
111.08126	6.2
117.07024	22.5
119.08582	51.5
121.06461	6.2
121.10149	60.5
123.08080	10.0
123.11716	25.3
129.07005	7.1
131.08604	33.6
133.10133	39.0
135.08057	11.8
135.11693	52.7
143.08530	8.4
145.10100	33.7
147.08078	7.7
147.11711	28.2
149.09642	11.1
149.13248	29.6
151.11229	5.3
157.10129	13.8
159.11710	33.7
161.09584	4.9
161.13292	14.2
163.11183	8.0
165.07097	5.3
169.10178	5.8
171.11707	6.5
173.09596	6.3
173.13292	23.4
175.14859	9.7
177.12764	8.3
180.40132	4.6
185.13268	8.1
187.11159	5.3
187.15010	6.3
197.13318	5.7
205.19582	11.2
213.16461	5.5
215.14369	7.2
215.17929	46.1
233.19034	51.0
307.22580	16.6
386.47495	5.1
468.01660	5.1
469.33795	9.0
487.29697	7.2
487.34723	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	487.3031
Annotation	Vernoguinosterol
Peak:m/z	Relative Intensity
62.22176	0.3
67.05506	0.5
76.82610	0.3
81.07065	0.7
93.07034	0.3
98.23367	0.9
105.07050	0.5
107.08607	0.6
109.06619	0.4
109.10175	0.4
119.08636	0.5
121.10110	0.4
126.64100	0.4
133.10133	0.5
133.79774	0.3
145.10167	0.4
145.65257	0.4
147.11679	0.4
191.87361	0.4
375.25159	0.6
424.26306	0.4
451.32712	0.5
487.30292	100.0
488.30618	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05507	11.6
57.07077	3.8
65.03941	3.5
66.75538	2.9
67.05503	17.7
68.33012	2.7
69.06702	3.0
69.07060	14.0
72.81297	3.3
79.05490	15.7
81.07047	31.8
81.09939	3.6
83.04998	4.5
83.08619	8.3
91.05484	21.6
93.07034	31.4
95.04996	6.6
95.08612	58.6
97.06519	4.3
97.10197	4.1
105.07037	50.3
107.08588	59.0
109.10161	33.7
111.08118	5.4
117.07012	13.1
119.07776	5.1
119.08590	77.5
121.10155	56.1
123.08059	4.1
123.11726	17.0
125.09605	5.2
128.06190	3.8
129.06935	5.7
131.08575	41.5
133.10136	63.6
135.08044	8.7
135.11696	20.3
137.05919	4.8
137.09630	6.9
137.13300	3.8
142.07816	7.1
143.08580	22.2
143.29364	3.5
144.09271	4.8
145.10118	96.3
147.11690	29.2
149.09698	3.7
149.13307	9.1
151.11201	6.2
156.09331	7.8
157.10114	34.0
158.10959	4.3
159.11696	53.3
161.13277	23.0
163.07524	5.1
163.11229	7.6
163.14861	14.9
165.66342	3.2
168.81551	3.2
169.10138	7.8
170.10944	11.1
171.11691	23.7
172.12463	4.8
173.13260	36.6
174.13667	4.0
175.05493	3.9
175.14796	20.6
177.16397	23.2
179.14240	3.8
183.11676	23.6
184.12340	4.7
185.13258	45.8
186.13780	4.5
187.14822	100.0
188.15161	4.6
189.12891	4.4
189.16379	37.0
191.18059	5.1
195.11578	4.9
197.13330	6.0
199.11130	3.7
199.14825	43.7
201.12787	3.9
201.16397	69.2
203.14375	10.9
203.17972	12.9
205.15865	32.9
207.17506	7.8
211.14876	10.1
213.12845	5.3
213.16391	15.0
215.14381	3.7
215.17960	12.2
217.15866	11.2
219.17407	4.3
223.14822	4.4
225.16463	4.8
227.18030	8.8
231.13759	6.2
241.19389	4.5
245.15352	14.4
253.19525	4.3
255.21019	5.7
269.22525	5.4
387.30197	5.6
389.32114	5.0
405.31448	26.1
407.32956	15.4
411.29190	3.7
423.32520	15.5
425.34149	17.4
433.31036	22.9
451.32043	39.4
452.32379	8.6
469.33218	52.7
487.33981	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	487.3424
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03949	10.1
55.01859	4.5
55.05511	22.4
57.07075	6.2
58.91095	2.9
65.03950	3.0
67.05509	29.1
69.03425	16.1
69.07071	23.0
71.05000	9.2
71.15946	5.1
79.05497	25.3
81.03420	10.8
81.07058	56.9
82.07411	3.9
83.04973	8.1
83.08616	12.6
85.02916	21.2
85.06550	8.1
87.00841	3.6
91.05486	36.1
93.07046	56.2
95.04977	12.5
95.08614	70.1
95.09164	6.2
96.08946	3.2
97.02908	8.2
97.06552	9.0
97.10172	4.8
99.08077	5.4
103.05484	7.1
105.07028	61.7
107.04938	6.4
107.08598	71.0
107.09282	5.6
108.08949	5.2
109.02879	5.9
109.06478	7.5
109.10160	51.4
111.08080	9.1
115.02774	3.4
115.05397	4.4
117.07040	14.6
119.08587	100.0
120.08875	4.8
121.06507	7.8
121.10140	47.1
123.08098	9.5
123.11700	23.8
125.05970	4.5
125.09647	10.8
127.03938	9.1
129.06984	8.5
130.07744	5.1
131.04973	9.2
131.08572	51.5
133.06473	3.8
133.10135	62.9
134.10493	3.0
135.08066	12.2
135.11682	35.2
136.12029	3.0
137.05992	35.9
137.09605	8.7
137.13271	5.4
139.07582	3.5
142.07787	7.2
143.08571	23.6
145.05054	5.5
145.06493	4.8
145.10136	94.3
146.10486	4.6
147.11691	39.9
149.09625	11.0
149.13290	16.9
151.07564	6.9
151.11179	7.7
153.12776	9.1
155.08534	5.9
156.09398	5.9
157.10132	38.7
158.10861	5.2
159.02914	3.7
159.08061	4.2
159.11711	65.6
161.06027	6.2
161.09601	4.4
161.13257	29.1
163.03905	19.2
163.07529	16.3
163.11148	7.8
163.14841	13.4
165.09106	4.0
169.10150	10.8
170.10916	9.1
171.11671	28.1
173.13248	41.7
174.13574	3.2
175.07620	6.5
175.11136	6.2
175.14845	23.2
177.12790	6.7
177.16397	14.0
183.11732	21.4
184.12315	4.2
185.09647	5.7
185.13268	49.1
187.07605	5.6
187.11218	6.7
187.14828	79.9
188.15150	7.2
189.09058	4.4
189.12811	4.7
189.16393	31.5
190.13643	3.3
191.10699	4.2
191.14430	4.8
191.18024	6.6
197.13297	14.5
199.14818	37.1
201.16400	66.1
202.16725	5.4
203.14307	14.4
203.17986	16.2
205.15900	31.4
207.11775	3.8
207.17493	11.9
209.13298	5.8
211.14793	6.5
213.12709	5.7
213.16330	17.6
215.10670	3.8
215.14325	5.9
215.17879	17.3
217.15877	7.9
219.17464	9.9
221.15486	6.2
225.16501	4.5
227.14406	4.5
227.17911	13.1
229.19543	7.4
231.13872	7.8
231.17479	5.9
233.15491	4.2
233.18965	4.5
241.19463	5.0
245.15440	18.5
251.18071	3.4
253.19704	5.0
255.21196	8.9
267.21048	4.6
269.22662	5.0
337.14453	3.7
387.30511	5.3
389.32217	6.2
405.31485	24.0
407.33176	14.3
423.32471	14.9
425.34149	20.0
427.14932	3.6
433.31067	21.5
441.33511	6.0
443.22415	6.7
451.31967	47.7
452.32581	5.7
469.33151	82.6
470.33563	13.1
487.16757	5.8
487.21902	11.2
487.33972	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	487.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63629	4.2
53.03938	10.2
55.05507	17.2
57.07064	4.4
67.05510	28.1
69.03421	10.4
69.07076	26.5
70.06577	13.9
71.04986	15.5
72.08169	7.8
79.05498	29.9
81.03419	10.3
81.07068	57.3
83.04982	8.4
83.08617	12.9
84.08136	13.0
85.02908	30.3
86.09715	28.7
91.05499	45.5
93.07043	50.8
95.04967	11.3
95.08607	90.7
97.02875	10.0
97.06503	5.1
99.36893	4.1
105.07033	59.0
107.04993	10.8
107.08587	75.6
109.02878	8.2
109.06527	16.8
109.10152	48.3
114.09167	16.1
115.05446	11.9
115.09538	6.7
117.03371	6.6
117.07043	23.2
119.04881	5.5
119.08584	100.0
120.08135	6.2
121.06507	16.0
121.10143	61.1
123.08074	15.8
123.11726	22.8
125.09618	5.2
127.03948	7.7
128.06250	7.4
129.07039	9.8
129.10182	7.5
131.08560	61.2
133.02864	16.3
133.06503	7.6
133.10143	68.2
135.04417	7.6
135.08055	15.6
135.11684	28.2
137.05971	27.8
137.09634	7.0
137.13333	5.6
138.09114	13.2
139.07642	5.9
142.07755	11.7
143.08551	31.5
145.02859	11.9
145.04987	4.6
145.06479	6.5
145.10132	98.2
147.04413	5.5
147.08087	11.9
147.11699	36.4
149.05956	6.9
149.09660	9.8
149.13235	10.5
151.07509	6.1
151.11172	9.9
151.99071	4.4
155.08568	8.0
156.09293	9.3
157.10133	39.0
159.08029	7.2
159.11682	75.5
160.12016	5.9
161.05975	7.1
161.09607	8.8
161.13301	40.7
163.03920	11.2
163.07562	10.6
163.11172	10.4
163.14821	12.5
167.07031	11.0
167.08423	5.2
169.10132	11.1
170.10979	12.8
171.08069	5.4
171.11711	33.2
173.09712	4.3
173.13246	49.8
175.03960	4.9
175.07605	6.7
175.11214	8.1
175.14842	35.6
177.05452	14.4
177.12674	6.0
177.16393	19.5
183.11708	32.5
184.12456	5.4
185.13261	52.5
187.14832	93.2
189.16380	31.0
191.14339	9.4
191.18002	4.9
197.13274	17.3
199.14801	44.4
201.12701	14.3
201.16393	80.5
203.14360	27.7
203.17975	12.6
205.12163	5.6
205.15871	39.0
207.17479	6.3
209.13393	7.7
211.14922	11.4
213.12810	8.3
213.16470	21.1
215.14406	10.5
215.17921	13.8
217.15973	14.9
219.13773	7.6
219.17503	15.0
221.15247	5.8
223.16872	5.5
227.14262	7.1
227.17935	10.3
229.15663	6.3
231.13837	13.3
233.15282	7.4
239.18045	5.9
245.15344	16.4
267.20993	6.9
273.18500	5.4
313.21402	6.7
325.10532	7.4
361.02444	6.3
401.21881	5.2
405.32022	23.0
407.33432	12.0
423.32520	14.4
425.34216	12.3
427.03406	4.6
433.30988	20.5
439.28134	5.8
441.33401	5.9
443.22672	23.5
451.32581	33.7
469.21155	4.8
469.33423	64.8
470.33344	10.4
487.15582	74.2
487.21600	65.1
487.32907	14.1
488.16089	9.4
488.21811	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
52.82279	1.7
53.03965	1.9
55.05503	10.8
57.07074	4.2
57.89766	1.6
67.05502	21.6
67.26713	1.9
69.03432	5.4
69.07066	12.7
69.23524	1.7
69.72434	9.8
71.04979	2.0
78.50541	1.7
79.05496	17.7
81.03399	2.5
81.07050	28.8
83.08622	4.4
91.05486	18.7
93.07050	33.3
95.04976	2.3
95.08608	100.0
97.06518	4.2
97.10183	3.0
98.22596	3.8
101.25799	1.8
105.07019	36.6
107.08598	46.8
107.09275	3.4
108.08894	2.0
109.06490	5.3
109.10158	33.1
111.08119	3.9
115.05446	4.3
117.07018	10.5
119.08584	76.1
120.08955	1.9
121.06533	4.6
121.10150	33.0
123.08110	5.6
123.11703	10.1
125.09640	11.4
129.07018	3.5
131.08566	23.4
133.10139	42.3
135.08084	6.9
135.11714	16.4
136.12161	2.1
137.09647	5.6
137.13303	2.2
142.07776	2.8
143.08543	12.7
145.10124	43.6
145.11250	2.5
147.08063	9.2
147.11687	19.7
149.09657	6.6
149.13223	11.8
151.11143	2.3
156.09407	2.2
157.10129	17.5
158.10977	3.7
159.08107	1.9
159.11703	33.2
161.09637	7.0
161.13260	24.2
163.07510	2.8
163.11174	3.4
163.14806	9.8
169.10051	2.9
171.11716	15.6
173.13258	23.4
175.11229	4.3
175.14839	20.3
177.12776	6.3
177.16344	10.4
179.14346	3.1
183.11591	4.1
185.13239	7.3
187.14833	46.0
188.15207	2.6
189.12775	7.3
189.16405	18.4
191.14360	6.5
191.17963	5.1
193.15868	4.3
197.13290	4.4
199.14862	16.5
201.16377	33.0
202.16748	2.9
203.14319	83.9
203.17813	4.0
205.15878	16.0
207.17494	3.5
211.14864	4.9
213.16399	13.1
215.14349	3.3
215.17995	11.6
217.15907	13.3
217.19582	8.1
219.17461	16.5
225.16296	3.5
227.17990	6.8
229.15921	7.4
229.19424	3.0
231.17509	7.8
233.15410	6.2
233.19044	6.9
241.19565	3.4
243.17332	2.3
245.15312	3.3
245.18983	3.3
247.16812	2.9
249.14958	4.2
253.19624	4.3
255.17314	1.8
255.21124	2.4
267.71558	1.7
285.21866	2.0
297.22052	4.8
305.76163	2.0
311.23523	2.3
325.21805	3.8
343.06812	1.9
343.22766	3.2
387.30542	4.2
393.31750	3.0
405.31412	15.3
406.31577	2.3
407.32947	6.8
415.30188	2.3
421.31323	2.4
423.32657	12.3
425.33951	3.3
433.31345	8.7
439.32068	6.0
441.33719	16.3
451.31958	17.2
469.33472	11.3
487.22028	3.0
487.35056	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	487.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.4
52.95258	2.3
53.03938	4.2
55.01873	4.5
55.05512	18.9
57.03429	4.4
57.07062	4.6
58.54933	2.3
60.61830	2.6
65.03940	4.5
67.05497	35.5
69.03429	70.6
69.07076	22.1
69.71204	3.6
69.71581	5.0
71.04992	25.5
73.02887	3.2
79.05495	29.4
80.05854	2.8
81.03414	14.5
81.07057	48.6
83.04977	5.3
83.08612	7.4
85.02904	16.9
85.06538	9.1
86.09708	10.9
87.00818	4.0
91.05472	37.2
93.07041	55.1
95.04972	10.6
95.08606	96.6
96.08933	5.8
97.02904	6.6
97.06540	12.1
97.10178	6.0
98.23227	4.8
99.04442	4.3
103.05469	3.3
105.06366	4.8
105.07027	55.5
107.04950	5.9
107.08595	66.4
108.08942	4.4
109.02857	7.8
109.06508	12.7
109.10155	43.7
111.08090	6.5
113.06031	3.3
114.28681	2.6
115.03811	2.5
115.05438	6.3
116.82001	2.9
117.07030	15.0
119.08578	100.0
120.08945	5.0
121.06516	11.6
121.10131	43.0
123.08069	11.3
123.11707	15.3
125.05988	8.0
125.09618	8.5
127.03904	7.8
128.06204	4.0
129.07004	11.0
130.07738	5.8
131.08566	47.1
133.02827	7.0
133.06468	4.2
133.10121	54.1
135.08054	11.5
135.11690	34.5
137.05960	9.9
137.09607	15.6
137.13203	3.0
138.09148	3.4
141.06920	4.8
142.07755	6.3
143.08580	19.8
144.09285	4.8
145.04951	3.2
145.06490	4.2
145.10121	68.3
146.10475	6.4
147.08011	12.2
147.11694	27.7
149.05945	3.9
149.09593	9.1
149.13304	12.6
151.07509	3.5
151.11174	9.8
155.08516	7.0
156.09372	5.6
157.10130	26.1
158.10776	3.5
159.08096	4.3
159.11684	48.3
160.12096	2.7
161.09627	12.7
161.13249	20.6
163.07486	5.8
163.11166	11.6
163.14822	9.5
165.09041	4.2
168.09338	3.4
169.10139	10.9
170.10893	6.3
171.08089	3.2
171.11700	19.0
172.12479	5.0
173.09599	5.6
173.13275	35.4
175.07536	3.1
175.11128	7.2
175.14810	21.0
177.12714	7.8
177.16415	11.7
183.11711	11.9
184.12320	2.5
185.13290	35.0
187.14819	62.8
188.15201	5.1
189.12660	8.8
189.16440	21.7
191.14366	5.7
191.17937	4.3
193.15889	3.0
197.13281	8.7
199.11183	2.7
199.14807	23.7
200.15344	3.3
201.12636	5.0
201.16389	41.2
203.14319	60.2
203.18002	6.2
205.15912	25.3
205.70595	2.7
207.17448	4.5
211.14838	7.5
213.16350	14.2
215.14258	4.8
215.17986	4.7
217.15860	14.9
217.19511	6.6
219.13757	3.5
219.17400	12.3
221.15334	24.1
225.16554	3.6
227.14296	3.3
227.17935	6.2
231.13753	5.8
231.17406	6.5
233.15453	7.1
233.18953	5.3
241.19533	4.6
245.15405	8.0
247.16945	4.9
253.19473	5.2
265.19522	3.7
269.22577	2.9
297.22125	3.3
299.20114	2.6
325.10733	4.3
325.19864	11.0
343.22684	3.6
374.50363	2.7
387.30255	3.2
389.32166	3.4
405.31448	21.9
407.33127	10.1
423.32800	16.4
425.34213	5.8
433.30960	13.2
441.33521	11.2
443.22452	6.8
451.32187	25.8
452.31976	3.6
469.28738	64.1
470.29785	9.8
487.24286	13.9
487.30252	66.6
488.31143	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.05520	12.6
57.07068	5.5
67.05500	17.7
69.03426	4.3
69.07066	12.9
69.32829	9.2
69.33237	7.8
71.05015	5.3
79.05499	19.1
81.07056	37.0
83.08637	6.4
83.26424	2.8
86.09718	8.2
86.81546	2.7
91.05484	20.8
92.66032	3.0
93.07047	39.8
95.04946	3.3
95.08610	100.0
97.06546	4.6
105.07039	42.4
107.08602	48.6
109.06513	5.0
109.10165	36.8
111.08072	4.3
117.07068	6.8
119.08582	79.7
119.09440	3.9
120.08877	4.6
121.06541	4.3
121.10146	39.2
123.08117	3.9
123.11722	11.7
125.09618	10.6
128.06218	3.2
129.07001	7.9
131.08594	31.0
133.10126	41.2
135.08055	7.4
135.11725	17.5
137.05989	6.1
137.09627	8.7
141.57980	2.3
142.07794	3.6
143.08595	11.0
144.09348	3.2
145.10127	46.7
146.11807	3.3
147.08086	8.6
147.11662	24.1
149.09634	7.5
149.13283	10.6
151.07625	2.7
151.11221	4.2
155.08527	5.6
157.10188	14.6
159.08128	4.0
159.11700	32.0
161.09641	9.4
161.13261	26.7
163.07593	2.7
163.14848	9.9
165.09164	3.0
167.07033	3.3
169.10136	4.6
170.44713	2.8
170.74100	2.6
171.11667	8.1
173.13251	21.6
175.07526	5.1
175.11279	3.3
175.14778	20.7
177.12784	6.0
177.16429	9.2
183.11710	6.5
184.88335	2.4
185.13272	15.1
187.11307	3.3
187.14838	56.6
188.15129	3.8
189.12740	9.0
189.16396	19.9
191.14362	4.4
191.17897	4.4
193.15913	6.3
197.13275	3.9
199.14832	20.5
201.16400	43.0
203.14314	79.8
203.17828	6.1
205.15842	14.2
211.14807	4.8
213.16428	10.1
215.14247	6.1
215.17982	11.1
217.15895	17.2
217.19582	8.2
219.17459	21.9
223.14816	5.7
225.16391	4.7
227.17920	7.9
229.15953	5.4
229.19318	3.5
231.17480	11.1
233.15431	4.6
233.18996	3.9
239.17863	3.9
243.17459	2.8
245.15349	4.4
245.18927	3.8
249.14885	4.3
253.19507	4.7
255.21051	3.9
259.16998	2.9
267.21274	3.2
281.22455	4.2
285.22144	3.6
297.22235	6.8
325.10474	3.3
325.20209	3.6
343.22675	4.0
387.30743	4.4
393.31281	3.8
405.31717	16.6
407.33383	6.8
423.32562	21.3
425.34659	3.4
433.30878	6.6
439.32068	6.5
441.33719	17.9
451.32315	19.2
469.33841	15.2
487.17960	5.8
487.25064	19.1
487.30649	4.0
487.33957	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	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01872	2.0
55.05509	6.4
57.03440	1.6
57.07062	1.3
65.03929	1.8
67.05505	13.6
69.03415	4.2
69.07063	10.0
70.50965	1.2
70.51279	1.1
71.04993	3.2
78.12701	0.8
78.68422	0.9
79.05492	13.0
81.03422	4.2
81.07057	22.9
83.04985	2.0
83.08631	3.9
85.02901	4.6
85.06528	1.4
87.00831	1.6
91.05477	13.6
93.07044	18.2
95.04976	4.8
95.08604	45.1
96.08930	1.3
97.02883	1.8
97.06545	4.8
97.10160	2.4
99.04432	1.8
99.08083	1.2
103.05393	1.2
104.98616	0.8
105.01857	1.7
105.07023	23.6
107.04939	2.5
107.08592	27.2
108.08926	1.4
109.02882	2.5
109.06540	5.4
109.09431	1.6
109.10152	18.1
110.10480	0.8
111.04432	2.4
111.08108	2.0
113.09590	1.1
115.05472	1.2
117.07030	5.5
119.08573	37.5
120.08895	1.1
121.06519	5.2
121.09296	1.4
121.10145	18.9
123.08080	6.6
123.11729	5.5
125.06001	8.2
125.09637	4.3
127.03958	4.9
127.07523	1.0
128.06207	2.0
129.06989	4.8
130.07770	0.9
131.08572	16.8
132.80125	0.9
133.06474	2.3
133.10135	21.0
134.10497	1.2
135.08051	4.2
135.11687	10.1
137.05952	4.5
137.09618	13.3
137.13254	1.4
139.07495	1.7
141.05460	1.0
142.07758	1.9
143.08560	8.4
144.09354	1.5
145.05043	1.0
145.06445	0.9
145.10121	26.7
147.08049	5.1
147.11694	10.9
149.05994	1.4
149.09576	5.0
149.13278	4.8
151.07538	3.4
151.11185	2.5
153.05446	2.4
153.09045	1.3
153.12721	4.1
155.08536	3.3
156.09326	2.5
157.10147	9.8
158.10912	1.5
159.02901	1.3
159.08061	2.5
159.11702	16.9
161.09622	4.4
161.13248	10.0
163.07529	1.8
163.11176	2.9
163.14832	4.1
165.09093	2.2
165.12666	1.7
167.08455	1.0
169.10117	3.7
170.10966	1.0
171.08195	1.0
171.11697	7.6
173.09647	2.3
173.13246	12.3
175.11205	1.5
175.14803	9.0
176.15218	1.0
177.09099	1.7
177.12775	2.6
177.16335	2.4
179.10689	1.3
179.14270	1.8
183.11728	3.3
185.09669	1.1
185.13287	5.0
187.11203	1.3
187.14810	22.0
187.16368	1.6
188.15184	1.5
189.12796	4.2
189.16393	6.7
191.10616	1.4
191.14301	2.9
191.17915	2.0
193.15903	1.9
195.11635	1.3
197.13235	3.0
199.11292	1.5
199.14822	8.4
201.12650	3.3
201.16397	14.4
202.16800	1.0
203.10699	1.9
203.14313	26.2
203.17967	3.9
204.14647	1.4
205.12440	0.9
205.15906	6.1
206.16237	0.8
209.13249	1.9
211.14915	2.0
213.12721	1.8
213.16368	7.3
215.14363	2.3
215.17928	3.7
217.12234	1.1
217.15857	4.7
217.19473	2.0
219.13776	1.3
219.17406	3.0
221.15346	1.3
221.19003	3.2
223.14825	1.6
225.16397	3.1
227.14215	1.3
227.17946	3.4
229.15891	2.6
229.19537	1.7
231.13742	1.6
231.17406	3.5
233.15317	2.1
233.19020	1.8
237.16350	1.4
239.17987	2.1
239.20030	2.0
241.19537	2.5
243.04958	0.8
243.17427	1.0
245.15288	2.0
245.19122	1.4
249.14871	1.4
253.19473	2.0
255.21152	1.2
257.18967	1.3
259.20639	1.9
269.19077	0.9
273.18430	1.1
279.20795	1.4
281.22501	1.1
287.20120	1.1
297.22021	1.5
325.21490	1.2
329.20941	0.9
343.22641	1.2
387.30737	1.1
399.22607	0.9
401.15750	1.2
405.27139	1.5
405.31604	3.7
407.32938	1.6
421.31757	1.0
423.32602	3.5
433.31360	1.3
441.33786	2.0
443.16727	4.5
443.22226	1.1
451.27469	1.3
451.32196	2.4
469.29446	100.0
470.29742	9.5
487.15588	7.2
487.30450	80.9
488.30966	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	487.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01872	2.0
55.05509	6.4
57.03440	1.6
57.07062	1.3
65.03929	1.8
67.05505	13.6
69.03415	4.2
69.07063	10.0
70.50965	1.2
70.51279	1.1
71.04993	3.2
78.12701	0.8
78.68422	0.9
79.05492	13.0
81.03422	4.2
81.07057	22.9
83.04985	2.0
83.08631	3.9
85.02901	4.6
85.06528	1.4
87.00831	1.6
91.05477	13.6
93.07044	18.2
95.04976	4.8
95.08604	45.1
96.08930	1.3
97.02883	1.8
97.06545	4.8
97.10160	2.4
99.04432	1.8
99.08083	1.2
103.05393	1.2
104.98616	0.8
105.01857	1.7
105.07023	23.6
107.04939	2.5
107.08592	27.2
108.08926	1.4
109.02882	2.5
109.06540	5.4
109.09431	1.6
109.10152	18.1
110.10480	0.8
111.04432	2.4
111.08108	2.0
113.09590	1.1
115.05472	1.2
117.07030	5.5
119.08573	37.5
120.08895	1.1
121.06519	5.2
121.09296	1.4
121.10145	18.9
123.08080	6.6
123.11729	5.5
125.06001	8.2
125.09637	4.3
127.03958	4.9
127.07523	1.0
128.06207	2.0
129.06989	4.8
130.07770	0.9
131.08572	16.8
132.80125	0.9
133.06474	2.3
133.10135	21.0
134.10497	1.2
135.08051	4.2
135.11687	10.1
137.05952	4.5
137.09618	13.3
137.13254	1.4
139.07495	1.7
141.05460	1.0
142.07758	1.9
143.08560	8.4
144.09354	1.5
145.05043	1.0
145.06445	0.9
145.10121	26.7
147.08049	5.1
147.11694	10.9
149.05994	1.4
149.09576	5.0
149.13278	4.8
151.07538	3.4
151.11185	2.5
153.05446	2.4
153.09045	1.3
153.12721	4.1
155.08536	3.3
156.09326	2.5
157.10147	9.8
158.10912	1.5
159.02901	1.3
159.08061	2.5
159.11702	16.9
161.09622	4.4
161.13248	10.0
163.07529	1.8
163.11176	2.9
163.14832	4.1
165.09093	2.2
165.12666	1.7
167.08455	1.0
169.10117	3.7
170.10966	1.0
171.08195	1.0
171.11697	7.6
173.09647	2.3
173.13246	12.3
175.11205	1.5
175.14803	9.0
176.15218	1.0
177.09099	1.7
177.12775	2.6
177.16335	2.4
179.10689	1.3
179.14270	1.8
183.11728	3.3
185.09669	1.1
185.13287	5.0
187.11203	1.3
187.14810	22.0
187.16368	1.6
188.15184	1.5
189.12796	4.2
189.16393	6.7
191.10616	1.4
191.14301	2.9
191.17915	2.0
193.15903	1.9
195.11635	1.3
197.13235	3.0
199.11292	1.5
199.14822	8.4
201.12650	3.3
201.16397	14.4
202.16800	1.0
203.10699	1.9
203.14313	26.2
203.17967	3.9
204.14647	1.4
205.12440	0.9
205.15906	6.1
206.16237	0.8
209.13249	1.9
211.14915	2.0
213.12721	1.8
213.16368	7.3
215.14363	2.3
215.17928	3.7
217.12234	1.1
217.15857	4.7
217.19473	2.0
219.13776	1.3
219.17406	3.0
221.15346	1.3
221.19003	3.2
223.14825	1.6
225.16397	3.1
227.14215	1.3
227.17946	3.4
229.15891	2.6
229.19537	1.7
231.13742	1.6
231.17406	3.5
233.15317	2.1
233.19020	1.8
237.16350	1.4
239.17987	2.1
239.20030	2.0
241.19537	2.5
243.04958	0.8
243.17427	1.0
245.15288	2.0
245.19122	1.4
249.14871	1.4
253.19473	2.0
255.21152	1.2
257.18967	1.3
259.20639	1.9
269.19077	0.9
273.18430	1.1
279.20795	1.4
281.22501	1.1
287.20120	1.1
297.22021	1.5
325.21490	1.2
329.20941	0.9
343.22641	1.2
387.30737	1.1
399.22607	0.9
401.15750	1.2
405.27139	1.5
405.31604	3.7
407.32938	1.6
421.31757	1.0
423.32602	3.5
433.31360	1.3
441.33786	2.0
443.16727	4.5
443.22226	1.1
451.27469	1.3
451.32196	2.4
469.29446	100.0
470.29742	9.5
487.15588	7.2
487.30450	80.9
488.30966	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	487.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	2.1
55.01886	1.6
55.05514	4.1
56.49692	0.8
67.05510	8.4
68.05846	0.8
69.03436	1.4
69.07070	5.0
79.05509	6.6
81.03399	1.0
81.07059	13.9
83.05003	1.1
83.08634	2.3
85.02950	0.7
91.05483	9.2
93.07051	13.5
93.07621	1.1
95.04981	3.0
95.08612	31.0
96.08965	0.9
97.06557	2.5
97.10177	1.2
98.23320	2.6
103.05508	1.0
105.07042	18.6
107.04976	1.4
107.08602	17.2
107.09281	1.3
109.02870	1.1
109.06526	5.7
109.10165	12.2
111.04450	1.6
111.08115	1.6
113.06004	0.7
117.07035	2.9
119.08581	29.4
120.08923	0.8
121.06535	3.6
121.10151	12.2
123.08081	5.6
123.11677	3.5
125.06007	6.8
125.09673	1.9
129.07050	2.3
131.08569	10.0
133.06537	2.2
133.10129	13.5
135.04385	0.8
135.08076	3.0
135.11707	4.2
137.06006	2.9
137.09618	11.5
141.07123	0.8
142.07811	1.1
143.08583	8.3
144.09236	1.2
145.10124	20.6
147.08073	5.1
147.11697	7.0
149.06075	1.3
149.09630	3.6
149.13258	3.7
151.07571	2.7
151.11263	2.1
152.04883	0.8
153.05521	2.9
155.08594	2.9
156.09386	0.9
157.10115	8.1
158.10898	0.7
159.08061	1.8
159.11700	11.3
159.12953	1.0
161.09642	5.0
161.13260	7.1
163.07558	1.7
163.11203	2.4
163.14838	2.5
165.09132	1.9
165.12756	0.8
168.60965	0.7
169.10147	2.1
170.10913	1.3
171.08086	0.8
171.11699	7.2
173.09618	1.5
173.13255	11.7
173.14604	1.0
175.11198	2.3
175.14868	7.3
177.12784	4.1
177.16441	2.3
179.14409	0.9
181.10185	1.1
183.11728	2.3
185.13245	5.4
187.11252	1.7
187.14833	18.9
189.12830	2.7
189.16444	3.2
191.14369	2.2
191.18059	1.0
193.12364	0.8
193.15948	1.3
195.11748	1.4
197.13333	1.1
199.14798	5.6
201.12790	2.3
201.16373	12.4
203.10707	1.5
203.14301	21.1
203.16060	1.2
203.18011	2.5
205.12376	1.2
205.15929	3.3
211.14896	1.9
212.15587	0.9
213.12862	0.9
213.16389	5.4
215.14380	2.2
215.17975	3.4
217.12279	1.3
217.15941	4.1
217.19562	1.1
219.13800	0.9
219.17479	3.0
220.17946	1.0
223.14827	0.9
225.16408	1.1
227.17949	4.7
229.15932	1.4
231.13823	1.5
231.17479	3.1
233.15437	2.1
237.16606	1.1
239.17966	2.9
241.15961	1.0
241.19528	3.3
243.17508	0.8
245.15515	1.9
247.17123	0.9
251.17998	1.0
253.19493	1.1
255.21269	0.8
257.19135	1.0
259.20547	0.9
281.22577	1.1
297.22061	1.1
299.23483	1.0
307.24344	0.8
366.29080	0.9
391.84552	0.8
393.31375	1.5
405.27423	2.1
405.31552	2.8
407.33087	1.3
423.27823	1.0
423.32602	2.5
433.31128	1.7
439.31885	1.2
441.33524	2.1
451.31857	3.3
469.29449	100.0
470.29816	13.2
487.30475	86.1
488.30875	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	487.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13916	1.8
52.15191	1.9
53.03942	2.9
53.47893	1.6
55.05508	16.9
57.07077	9.0
65.03944	2.0
67.05505	29.7
69.07069	31.8
71.08619	3.3
73.94724	1.9
74.95157	1.7
79.05492	18.1
81.07059	47.7
83.04984	1.7
83.08165	2.1
83.08604	14.1
85.06539	2.7
91.05484	19.7
93.07050	44.7
95.04974	3.6
95.08609	94.6
96.08942	3.5
97.06525	2.8
97.10164	7.3
99.08096	4.7
105.06376	2.7
105.07037	32.9
107.08598	83.5
108.08929	4.5
109.06522	5.9
109.10155	70.3
110.10465	2.4
111.08082	6.3
111.11720	7.7
117.06998	2.5
119.07772	3.6
119.08588	57.3
119.09444	3.5
121.10145	100.0
122.10461	5.8
123.08077	5.3
123.10804	2.5
123.11706	43.3
125.09615	3.8
127.07565	2.4
131.08571	5.5
133.10132	36.0
135.08084	4.9
135.11697	47.0
136.12035	3.5
137.09615	3.5
137.13255	20.8
139.07556	5.0
139.11192	2.6
143.08597	2.8
145.10172	13.3
147.11682	30.3
149.09625	4.9
149.13249	29.0
151.11191	5.1
151.14832	3.3
153.09117	5.4
155.08565	2.0
157.10095	5.3
159.11723	12.5
161.09656	3.9
161.13240	22.9
163.11197	4.8
163.14813	30.0
164.15231	2.1
165.09111	3.3
167.10675	6.0
167.14288	10.0
169.10152	2.2
171.11656	4.8
173.13223	8.9
175.11206	2.2
175.14825	12.4
176.15125	1.8
177.12830	1.9
177.16403	27.9
178.16750	2.4
181.12230	16.4
183.11700	2.6
184.94060	1.7
185.13283	5.2
187.14828	8.1
189.12772	2.9
189.16383	45.4
190.16690	2.8
191.14320	2.2
191.17955	8.0
193.12152	3.0
195.13795	3.9
199.14812	3.9
200.15585	1.9
201.16447	5.7
203.14256	2.1
203.17940	5.5
205.16037	2.2
205.19460	13.6
207.13782	3.9
207.17593	2.0
213.16441	3.3
215.14330	2.4
215.17955	4.0
217.15843	2.2
217.19531	3.2
218.45073	2.0
219.13824	2.4
219.17441	2.3
219.21034	4.9
221.15303	3.8
223.17039	2.2
227.17905	3.0
229.19485	3.0
231.21069	3.0
233.18875	2.1
239.17950	2.0
240.98740	2.0
243.21199	2.3
245.18886	2.0
245.22723	3.2
247.24237	3.1
249.18594	2.7
253.19589	1.9
254.73465	2.2
263.19983	2.1
265.21841	2.2
269.22672	14.6
303.23071	2.6
315.23141	2.3
317.18225	2.3
317.24887	1.9
329.24677	4.9
331.26379	1.9
370.36682	1.9
381.31610	2.5
391.29123	2.1
391.33890	2.2
398.80829	1.7
409.35037	10.0
427.36441	16.9
441.33517	3.9
445.36627	2.5
469.36841	7.9
471.34848	2.4
487.37436	23.4
487.45349	2.6
487.48270	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	487.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
53.20887	1.7
55.05508	13.1
57.03434	3.3
57.07074	11.1
58.94063	2.1
67.05511	26.6
69.07071	27.2
69.07918	16.5
71.04970	3.1
79.05508	13.9
81.07059	42.9
83.05008	2.5
83.08616	13.3
85.06551	15.7
91.05482	14.6
93.07047	34.1
95.04967	2.8
95.08612	85.9
96.08984	2.1
97.06539	8.8
97.10155	10.7
99.04483	2.1
99.08080	10.4
105.07034	25.5
107.08597	71.6
108.08916	2.7
109.06475	3.6
109.09442	4.1
109.10160	63.1
111.08086	8.2
111.11719	5.1
113.09624	3.1
117.07049	2.8
119.08593	42.3
120.08854	2.3
121.06515	2.1
121.10145	69.8
122.10468	2.9
123.08092	5.1
123.11712	48.2
125.09656	4.9
125.27441	1.8
129.07072	2.1
131.08574	8.5
133.10141	38.1
133.99341	2.1
135.08073	4.1
135.11697	58.5
135.12685	3.8
137.09644	2.6
137.13251	13.5
139.11238	4.5
143.08527	2.5
145.10118	21.0
147.11679	31.7
147.12772	3.1
149.09554	4.2
149.13257	17.1
151.11237	2.7
151.14838	18.7
153.09125	2.0
153.12756	19.0
157.10121	4.9
159.11716	15.2
160.12114	1.8
160.36948	2.0
161.13254	27.1
163.11142	4.6
163.14824	33.3
164.15216	2.0
165.16458	9.0
167.10648	4.7
167.14284	2.6
171.11632	4.1
173.13290	9.8
175.14854	12.6
177.12775	2.6
177.16385	29.8
178.16692	2.6
179.14247	3.0
183.11705	2.1
185.13260	5.8
187.14803	21.4
189.16397	31.1
190.16740	2.4
191.14357	4.7
191.17935	45.0
193.15834	4.1
195.17517	6.0
197.15346	2.4
199.14743	3.3
201.16386	11.7
201.17993	1.9
203.14360	3.8
203.17986	14.3
203.89632	1.7
205.15929	17.5
205.19598	4.0
207.17491	3.0
208.17894	2.1
215.17960	6.2
217.19518	11.3
219.17456	11.8
220.17886	2.1
221.19028	2.1
223.16931	100.0
224.17317	5.2
229.19481	2.7
231.21094	3.9
237.18509	16.2
238.19072	2.1
239.50203	1.9
243.21098	4.7
251.20090	2.4
255.21162	4.2
257.22726	3.3
262.05872	2.1
381.35123	6.1
391.33643	2.5
409.34586	17.5
425.34259	2.6
427.35889	24.4
428.36185	3.0
451.35742	3.4
469.37070	3.0
487.38010	42.5
488.38089	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	487.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.57031	0.8
55.05513	7.9
56.30950	0.8
57.07071	2.8
65.03961	1.1
67.05507	9.6
69.07068	22.2
69.07576	6.4
71.04996	1.0
71.08692	0.9
79.05498	6.5
81.07060	17.1
83.05002	1.0
83.08615	4.9
91.05483	8.8
93.07048	17.0
95.04987	1.8
95.08611	40.5
95.68796	0.9
97.06540	2.3
97.10159	2.0
98.22559	2.0
99.08097	5.3
105.07032	23.0
106.07376	0.9
107.08593	31.4
107.09149	1.2
108.08949	1.2
109.06493	1.6
109.10162	15.2
111.08122	1.2
111.11729	8.4
117.07022	2.6
119.08588	41.8
120.08883	1.1
121.10149	29.1
123.08088	2.6
123.11716	11.4
125.09646	0.8
127.07552	1.6
129.06972	1.4
131.08586	5.2
133.10139	32.6
135.08064	1.8
135.11694	17.7
137.09633	1.4
137.13258	7.3
139.11203	1.3
143.08574	3.1
145.10155	11.3
146.10583	1.0
147.11700	29.8
148.11981	1.5
149.13260	11.5
151.11182	1.3
155.08521	1.0
156.09361	1.9
157.10112	4.5
159.11696	10.5
160.12436	1.1
161.13277	7.7
163.11137	1.0
163.14828	2.7
167.14333	29.4
171.11670	4.4
172.12532	0.9
173.13255	4.4
174.13977	1.0
175.11169	1.2
175.14801	4.3
177.16405	16.0
178.16747	1.0
185.13277	4.4
187.14832	7.5
189.16396	100.0
190.16676	4.5
191.17924	1.6
195.17464	7.8
197.13297	1.1
199.14732	5.2
201.16389	3.6
203.17984	3.3
205.15903	1.4
207.17488	1.4
211.14819	2.5
213.16379	7.6
215.17976	1.1
219.17401	0.9
221.15485	1.2
221.18948	3.0
223.16917	6.0
226.17160	2.3
227.17979	4.1
229.19461	1.6
239.17961	2.0
239.20088	1.6
241.19507	1.8
243.21257	1.3
249.18535	4.4
253.19432	2.0
254.20338	1.4
255.21063	1.5
267.21222	1.4
269.22650	52.2
270.23029	3.3
273.22095	2.2
311.94183	0.9
329.24771	20.4
333.24268	2.4
343.92068	0.9
367.30020	1.4
369.31454	2.1
391.33453	2.1
409.34708	31.6
410.34964	3.4
427.30789	1.7
427.36362	9.0
451.35748	1.4
469.37045	5.9
487.21298	2.4
487.38000	22.5
488.38306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.0
55.37989	6.4
57.03433	6.2
67.05515	21.5
69.07071	23.5
69.17295	16.9
69.17695	48.9
72.58236	6.5
72.72874	6.2
79.05505	16.6
81.07056	46.8
83.08641	11.7
87.04469	14.8
91.05480	20.4
93.07055	27.1
95.04980	8.7
95.08611	94.7
97.06530	7.0
97.10152	11.5
105.07044	30.3
107.08604	57.6
109.10154	43.9
111.11735	14.1
119.08576	58.1
121.10141	51.5
123.11716	15.6
131.08618	11.2
133.10152	46.3
135.11700	79.0
137.09583	9.7
145.10162	26.5
147.11723	18.8
149.13272	10.6
159.11664	43.4
161.13281	11.2
163.14822	8.5
173.13206	16.7
175.14848	19.9
177.94133	6.9
189.16330	8.2
191.17953	100.0
201.16339	35.0
203.18011	16.6
207.17488	28.3
209.18983	73.8
219.17432	34.3
268.48422	8.3
279.19540	21.3
487.37363	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05510	10.0
57.07064	4.4
57.28144	1.1
63.52858	1.2
67.05504	17.3
69.07066	24.9
71.04989	2.3
79.05495	12.9
81.07056	42.3
82.07423	2.0
83.08627	12.5
85.06541	1.7
91.05473	10.5
93.07048	31.4
95.04967	6.9
95.08607	100.0
96.08958	2.6
97.06535	11.1
97.10165	8.8
99.08095	7.6
105.07033	29.2
107.07864	2.2
107.08592	46.1
107.31385	1.3
108.08975	2.0
109.06534	5.2
109.10152	45.3
111.08086	5.9
111.11724	15.8
113.09650	1.6
117.07013	4.6
119.08575	51.7
121.06517	2.2
121.10144	50.8
123.08051	7.4
123.11701	27.1
125.09664	2.8
129.07057	1.2
131.08562	12.7
133.10129	43.7
135.08121	2.4
135.11691	57.5
136.12038	1.6
137.09644	4.1
137.13277	9.8
139.07579	3.2
139.11192	4.4
143.08577	2.3
144.09402	3.0
145.10135	28.8
147.11676	16.0
149.09633	4.6
149.13246	12.1
151.14861	1.6
153.12889	1.7
157.10162	3.2
159.11690	39.1
160.12053	2.3
161.13251	18.0
163.11188	5.3
163.14853	5.3
165.16432	2.0
171.11678	2.0
173.13257	16.9
175.14815	27.0
176.15141	1.8
177.12730	3.1
177.16440	4.6
187.14848	1.7
189.16389	22.7
191.14326	2.9
191.17943	75.0
192.18321	5.1
193.19574	3.6
201.16371	50.7
202.16814	3.0
203.18057	1.5
207.17503	5.0
209.19000	72.1
210.19403	3.7
217.15862	10.0
217.19528	2.0
219.17439	50.0
220.17871	2.1
221.15303	1.5
235.16933	30.8
237.18585	3.7
242.97446	1.5
248.12488	1.3
279.19531	19.3
281.97589	1.4
391.33942	1.6
409.34781	2.9
427.35645	2.9
469.36597	4.4
487.37830	51.1
488.38040	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	488.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01878	1.4
55.05520	2.1
57.03438	9.9
59.04992	1.2
61.02925	2.5
66.51392	0.9
69.03426	7.6
69.07064	1.3
70.06593	7.9
71.04996	46.4
71.31039	1.5
72.08158	3.3
73.02916	2.8
75.04489	5.4
81.03428	4.2
83.04983	9.3
84.04511	2.9
84.08149	2.6
85.02908	100.0
86.03239	1.6
86.09711	12.6
87.00774	1.4
87.04475	2.2
91.05510	2.3
91.20542	1.0
97.02902	11.1
99.04456	3.5
101.02406	1.2
103.03950	1.8
105.07029	2.1
109.02899	4.2
110.07138	1.4
111.04432	6.7
114.68697	1.0
119.08640	1.4
122.03688	1.1
127.03915	10.5
128.88339	1.0
129.05486	41.8
129.10231	1.4
130.05783	1.0
131.08534	1.0
136.07571	1.6
137.05948	9.2
145.04976	7.0
146.08195	1.2
147.04509	1.8
147.06516	23.4
161.05988	2.2
163.05977	2.0
164.09155	2.2
244.42729	1.1
255.08675	3.4
273.09689	1.2
309.11649	1.8
341.48154	1.0
348.82230	1.0
371.04300	1.2
469.06378	1.1
488.19809	1.6
489.20694	2.4
489.27002	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12392	1.0
51.67930	1.1
53.03950	1.4
55.01872	1.4
55.05511	2.2
57.03437	8.4
58.68056	1.1
59.85795	1.0
60.21582	1.0
61.02919	2.4
67.05508	1.4
69.03434	8.7
70.44121	2.9
71.01331	2.2
71.04994	46.6
73.02914	2.4
75.04472	5.3
75.08509	1.1
81.03426	3.5
81.07052	2.0
83.04987	10.7
85.02908	100.0
86.03278	2.2
87.04494	1.3
91.05477	1.9
93.07056	1.9
93.89243	1.0
95.04948	3.4
95.08614	4.8
96.05309	1.1
97.02882	10.8
99.04461	4.4
105.07038	3.6
106.07324	1.2
107.08601	4.1
109.02884	3.8
109.10117	1.5
111.04426	6.7
119.08566	5.0
121.10068	2.1
127.03934	9.1
129.05478	40.9
130.05768	1.2
131.08536	2.0
133.10117	3.9
137.05981	3.2
144.06540	1.8
145.04951	9.4
145.10146	2.5
146.10452	1.8
147.06535	23.3
147.07698	2.1
147.11719	1.8
148.12094	1.4
159.11768	1.7
163.06015	2.7
164.09206	3.7
171.06631	1.3
185.13268	1.3
187.14888	1.9
188.15143	2.3
203.14445	1.4
204.14877	1.3
223.28000	1.0
255.08650	4.0
273.09720	3.1
291.63437	0.9
309.11835	3.6
469.32608	1.1
470.33051	1.4
487.33322	3.2
488.33322	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	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26012	1.9
53.03943	2.9
55.05515	5.5
55.61515	2.0
57.03426	3.3
57.07078	71.0
67.05502	10.2
69.03429	20.3
69.07131	18.5
71.04992	4.5
71.21362	1.9
79.05499	6.5
81.03416	26.5
81.07064	16.1
82.07396	2.9
83.08646	3.1
84.08141	2.8
84.25977	2.3
85.02912	27.5
85.06538	18.5
91.05483	22.0
93.07050	15.6
94.07375	4.1
95.04985	3.1
95.08613	39.6
95.09170	4.3
96.08951	7.6
97.02900	22.4
97.06539	2.4
99.04467	5.4
103.05474	2.2
103.07606	10.2
105.07030	19.2
106.07339	3.7
107.08604	18.6
108.04492	8.2
108.08896	4.2
109.02876	14.4
109.10167	12.8
110.10533	3.2
117.07048	6.1
119.04958	18.6
119.08575	31.8
120.08944	8.2
121.06522	5.1
121.10145	15.4
122.10498	2.5
123.11720	4.7
125.09641	5.6
126.05546	2.6
127.03924	24.8
129.06979	3.6
130.76440	2.3
131.08574	12.8
132.08910	4.1
133.06488	4.3
133.10121	16.1
134.10448	4.8
135.08049	4.7
135.11703	9.1
137.06053	4.5
137.09633	3.5
138.06386	2.1
143.08562	2.9
145.04970	8.3
145.06439	2.6
145.10130	16.9
146.10486	6.1
147.04442	19.7
147.08058	4.0
147.11700	8.9
148.12048	2.9
149.09579	3.4
149.13281	4.5
157.04074	2.8
157.10097	3.7
159.11702	9.3
161.05910	3.2
161.09639	3.4
161.13254	7.2
162.13673	3.1
162.26215	2.4
163.14876	3.8
167.07100	5.7
171.11737	4.4
173.13281	7.7
173.68834	2.4
174.13599	2.5
175.03908	33.5
175.14825	8.9
176.15157	2.8
177.12798	3.3
177.16429	3.9
181.04901	2.3
183.11566	2.8
185.13368	3.9
187.14819	16.0
188.15146	10.7
189.12634	2.9
189.16408	7.9
192.04202	5.1
199.14801	6.3
200.15175	3.2
201.16368	8.3
202.16786	7.1
203.14320	24.9
204.14676	11.7
205.15898	5.6
207.06538	100.0
208.06931	3.1
213.16440	4.6
214.16808	3.3
215.17917	2.9
217.15945	3.6
219.17474	4.1
221.08067	3.6
225.07581	28.8
229.10693	23.2
230.16112	2.6
231.17416	4.9
247.11807	32.1
405.31436	2.1
406.31815	4.2
408.33411	2.2
424.32773	6.2
451.31870	3.2
452.32465	6.4
470.33521	3.0
487.33347	2.8
488.31583	3.2
489.33453	3.5
497.14346	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	25.8
57.07083	11.6
60.51732	6.5
67.05494	45.1
69.03422	8.2
69.07066	37.7
70.83566	15.6
79.05487	21.7
81.07070	63.1
83.08615	23.3
91.05477	16.2
93.07031	45.6
95.05008	8.9
95.08601	95.8
96.08943	14.3
97.06538	7.2
97.10159	12.2
105.07014	40.6
107.08594	79.4
108.08935	8.9
109.06489	7.0
109.10143	71.2
111.08047	17.3
111.11682	9.2
115.67392	6.7
119.08591	69.0
120.08967	6.8
121.06562	8.9
121.10149	73.4
122.10458	7.9
123.08024	8.8
123.11710	40.7
124.07607	8.0
131.08594	16.3
133.10118	60.4
135.08075	12.0
135.11673	59.5
137.09593	12.5
137.13251	20.6
143.08525	13.1
145.10121	25.0
147.11729	42.4
149.09633	8.8
149.13284	21.3
153.12816	8.9
159.11710	24.8
161.09589	7.6
161.13266	31.9
163.14737	17.3
165.68405	7.2
172.12025	7.8
173.13248	20.5
175.14868	17.0
177.16360	12.8
179.14236	7.2
185.13228	8.6
187.14842	16.6
189.16396	27.8
190.16734	8.4
191.17984	38.7
199.14774	7.5
201.16322	12.8
203.17961	12.9
205.19543	7.9
213.16479	7.4
221.15327	8.9
246.48723	6.6
257.22748	9.4
364.11530	8.0
411.32474	41.5
425.33859	12.0
428.36362	12.9
435.32471	13.5
453.33713	12.7
470.33737	8.5
471.34769	20.8
488.37653	100.0
489.36670	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	489.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.01871	1.8
56.99580	1.2
59.35128	1.1
60.09504	1.0
64.59309	1.3
66.23237	1.1
67.05518	1.5
68.63975	1.2
69.03432	1.9
70.53332	3.3
71.05016	2.1
78.04018	1.2
79.05509	1.8
79.85822	1.1
81.07073	2.2
89.91169	1.3
91.05492	10.9
93.03435	1.5
93.07039	1.6
97.06554	1.2
105.07003	2.4
109.07374	1.1
115.05464	3.3
116.06203	1.2
117.07050	2.1
120.73725	1.0
128.06264	3.9
129.06956	2.8
131.08598	3.6
141.06989	1.7
142.07796	1.4
151.16055	1.1
153.07031	2.2
155.08589	1.5
203.05226	2.3
227.05203	1.7
241.11934	7.3
241.88780	1.3
243.04756	13.9
245.06302	8.5
271.04321	3.2
287.03738	81.9
288.04041	1.5
289.05298	78.9
290.05658	3.1
298.06097	1.3
318.75037	1.2
328.01379	1.2
366.97824	1.4
388.66254	1.7
403.17197	7.1
445.18311	48.8
446.18652	3.8
489.17325	100.0
490.17691	9.1
498.81812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1735
Annotation	Toonaciliatin A
Peak:m/z	Relative Intensity
52.64113	0.3
61.43350	0.3
62.73975	0.3
67.95400	0.4
69.60908	1.7
89.98929	0.3
91.05437	1.0
93.03390	0.5
95.08582	0.5
98.22698	0.6
103.05447	0.5
105.06987	0.6
128.06158	0.5
129.06964	0.7
131.44435	0.4
137.05939	2.6
139.99156	0.4
142.07703	0.4
151.03908	0.4
167.07076	0.8
167.08444	0.4
169.04735	0.5
171.01877	0.3
175.07506	1.1
181.04958	0.7
185.04132	0.4
191.07042	0.4
201.03728	0.6
203.05263	0.5
223.10963	0.4
227.05211	1.0
239.17221	0.4
241.12003	7.1
242.12376	0.7
243.04800	4.8
245.06355	1.5
271.04242	1.4
287.03741	10.8
289.05301	5.4
312.88516	0.4
359.10156	0.4
403.17261	7.4
404.17737	1.1
427.16946	0.7
445.18344	49.9
446.18777	3.3
489.17325	100.0
490.17691	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	489.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
53.99898	0.5
55.01874	0.8
55.05505	2.1
57.07076	1.0
62.06083	0.9
64.48243	0.6
66.17638	0.6
67.05495	3.0
69.03435	4.3
69.07068	2.3
71.04987	1.2
71.30594	0.9
73.01147	1.4
73.02910	0.6
74.48607	0.7
78.73829	0.6
79.05492	2.5
80.45258	0.5
81.03410	2.5
81.07063	6.2
83.04996	1.3
83.08616	1.3
85.02910	6.4
85.06535	0.7
87.00840	1.3
91.05479	2.2
93.07021	3.8
95.04960	1.1
95.08604	4.8
97.02880	1.8
97.06561	1.3
99.04465	1.3
101.00607	9.3
105.01904	1.0
105.07047	2.1
107.08596	3.8
109.02880	2.2
109.06531	0.7
109.10191	2.9
111.04456	1.4
111.08102	1.0
115.05477	0.9
119.08600	2.5
121.06537	0.9
121.10140	2.2
123.07989	0.7
123.11718	11.1
125.04240	1.3
125.05968	1.0
125.09602	0.6
125.99283	0.5
127.03916	4.4
128.06229	0.7
131.08563	0.9
133.10139	1.2
135.08063	0.9
135.11714	2.3
137.05991	1.0
137.13220	0.6
141.03712	1.7
143.08569	1.1
145.04967	0.8
145.10176	1.8
147.07999	0.7
147.11732	1.4
149.09662	1.0
149.13293	1.2
157.10179	0.7
159.02977	1.0
159.11714	0.8
161.13385	0.7
163.11188	0.8
165.09225	1.1
171.11673	0.6
181.12228	1.3
185.13426	0.9
189.12766	1.1
205.19614	1.0
223.11516	3.9
223.20607	1.9
231.04955	0.9
241.12445	13.8
241.21747	0.8
242.08224	0.9
242.17683	0.7
243.04807	4.3
245.06424	1.7
255.11362	1.5
271.04227	1.3
287.03778	9.3
289.05289	4.6
364.98932	0.6
403.17352	7.3
445.18365	36.6
446.18533	3.3
489.17337	100.0
490.17688	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82342	1.3
51.02389	1.6
52.43714	1.2
53.03934	4.2
55.01867	3.4
55.05509	1.4
57.03437	4.9
61.02922	3.4
62.77325	1.4
65.03930	2.3
67.05489	1.8
69.03429	19.1
69.07074	1.9
70.06580	4.9
71.04990	4.5
72.08133	7.5
73.02910	4.5
79.05499	4.3
81.03407	8.9
81.07050	1.3
84.04501	4.1
84.08157	2.0
84.38683	1.2
85.02901	26.9
86.09713	15.6
86.10186	2.1
87.04468	2.2
88.49201	1.5
91.05477	16.7
93.07060	2.1
94.04218	1.9
95.04971	3.7
97.02909	12.3
99.04449	3.9
101.02401	1.7
102.05530	2.9
103.05466	74.5
105.07019	4.1
107.04941	3.1
109.02867	4.7
109.06524	1.8
109.56024	1.4
115.05444	4.6
117.07040	2.7
119.04951	19.4
121.06507	4.7
122.03658	5.4
123.04430	8.0
127.03919	11.2
128.06203	2.0
129.07034	3.9
131.04929	100.0
132.05435	1.1
133.02789	1.8
133.06491	3.8
135.04399	2.5
137.05975	87.2
138.06332	1.7
141.07005	1.3
143.04921	1.8
145.04977	3.9
145.06497	6.1
147.04405	48.7
148.06067	1.8
149.05977	81.5
150.06424	2.1
151.07513	4.5
157.06493	5.5
159.04401	10.1
160.05247	1.8
161.05960	14.5
162.06732	4.0
163.07524	20.6
165.05434	1.4
167.07062	2.6
169.06416	1.4
172.05170	1.9
173.06001	8.5
175.03931	1.6
175.07544	5.5
177.05466	12.7
179.07030	13.0
185.05954	8.4
187.07549	8.5
191.07022	6.6
191.08530	1.9
197.06042	1.3
199.07608	1.6
201.09218	1.7
201.12318	2.2
202.07791	2.0
203.07048	5.7
203.08662	2.6
207.06497	3.1
207.08237	1.7
215.07079	2.4
217.08556	2.8
219.08076	1.9
221.09789	1.3
226.14319	1.4
227.07016	1.8
229.08685	1.8
231.08046	2.9
232.08521	1.7
237.09178	1.8
243.13463	2.3
249.09113	2.0
257.08173	1.9
257.14008	1.3
261.14310	1.3
265.08490	3.1
276.07797	1.8
277.08594	6.9
291.10089	2.4
297.11331	9.9
309.11188	6.1
327.12183	4.8
385.27261	1.6
427.16116	2.0
489.13339	2.5
489.20309	6.2
489.32407	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	489.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03941	0.7
55.01873	0.7
57.03433	0.5
60.12995	0.3
61.02913	0.9
65.03946	1.2
69.03432	1.8
69.07072	0.5
70.06595	1.7
72.08144	2.8
79.05507	1.4
81.03400	0.9
81.07056	1.1
84.04511	0.7
84.08135	1.2
85.02910	5.5
86.06039	0.3
86.09708	2.8
87.04478	0.3
91.05480	6.8
94.04191	2.6
95.04940	0.6
96.81017	0.3
97.02877	2.0
102.05537	0.5
103.05468	5.6
105.03399	0.7
105.07030	4.2
107.04919	0.4
109.02904	0.6
109.06526	1.3
110.07184	0.5
110.73872	0.3
111.04430	0.3
111.65342	0.4
115.05408	1.8
117.07046	1.6
119.04946	7.4
120.08132	0.5
121.06467	0.7
122.03648	7.2
123.04403	0.8
127.03027	0.2
127.03930	1.2
128.06242	0.9
129.07031	1.5
129.10258	0.9
129.64516	0.3
130.04160	1.0
131.04932	12.6
131.05931	0.6
133.06487	3.2
135.04410	0.3
137.05974	100.0
138.06334	2.0
143.04942	0.5
145.04996	0.6
145.06483	4.2
146.03633	0.9
147.04407	23.8
148.04802	0.4
149.06006	2.3
151.07503	0.3
155.04944	0.7
155.06050	0.3
157.06517	1.6
159.04427	0.4
161.05977	28.0
162.06750	3.7
163.07553	5.3
165.05533	0.4
165.06973	0.5
173.05981	10.9
174.06323	0.4
175.07504	0.4
177.05432	0.8
178.07776	1.3
179.07114	0.6
179.08548	0.5
184.62212	0.3
185.05972	4.5
189.06918	0.6
190.07773	1.9
191.08560	5.0
192.09236	0.4
193.10172	0.4
202.07796	3.9
203.06964	1.2
203.08553	6.1
204.09042	0.4
205.06564	1.1
205.10072	0.4
206.07254	0.6
207.08112	0.5
208.08824	0.3
209.09683	0.3
215.13904	0.6
218.07188	1.4
219.08049	6.6
220.08859	1.4
221.09583	2.1
231.08051	7.3
232.08669	0.6
234.06714	1.2
235.07515	0.9
236.08275	0.7
237.09093	2.6
243.13472	0.3
247.07491	3.2
247.12878	0.4
248.08240	1.7
249.09082	4.5
250.09665	0.4
251.10670	5.1
259.07590	3.6
260.08252	0.6
263.10587	0.9
264.07758	0.7
265.08575	3.7
266.09189	0.4
267.06381	0.4
269.11591	0.5
276.07764	0.6
277.08597	12.4
278.09012	1.0
279.10135	3.2
281.08182	0.4
282.08862	0.8
291.10147	3.0
297.11191	18.9
298.11465	1.1
309.11172	10.6
310.11591	0.7
327.12167	0.9
444.14301	0.3
471.30692	0.3
489.17911	0.4
489.23114	1.0
489.31625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03945	0.8
55.01859	0.7
57.03439	0.7
58.52675	0.3
61.02917	1.1
65.03944	0.7
69.03442	2.8
69.76895	1.4
71.04993	0.3
73.02895	0.4
78.80444	0.3
79.05499	1.3
81.03407	1.4
81.07069	0.6
85.02422	0.5
85.02908	7.2
85.03419	0.3
86.03243	0.4
86.09702	0.6
87.04488	0.3
91.05492	5.2
91.06021	0.6
93.03413	0.3
94.04208	2.3
95.04973	0.4
97.02895	3.1
99.04442	0.8
103.05470	6.3
105.03413	0.6
105.07027	4.1
107.04977	0.4
109.02873	0.9
109.06531	1.2
115.05489	1.6
117.07020	1.2
119.04944	5.4
122.03656	6.1
123.04472	0.4
127.03915	2.0
128.06209	0.5
129.06984	1.2
130.04149	0.6
131.04933	12.5
133.06474	3.7
134.58044	0.3
137.05978	100.0
138.06320	2.0
143.04898	0.5
145.04959	1.2
145.06482	4.4
146.03625	1.2
147.04411	17.2
148.04680	0.4
149.06012	1.6
150.06766	0.5
151.07532	0.3
155.04890	0.7
157.06500	1.3
161.05986	27.7
162.06761	3.0
163.07536	4.8
165.05643	0.4
165.07048	0.6
168.35617	0.3
173.05995	11.2
173.07487	0.7
174.06297	0.5
175.07608	0.7
177.05437	0.3
177.57249	0.3
178.07791	1.3
179.07050	0.8
181.06517	0.4
185.05975	4.8
187.07600	0.4
188.61160	0.3
190.07814	1.1
191.07016	0.5
191.08569	3.9
192.09161	0.4
193.10233	0.8
202.07774	2.8
203.06969	1.1
203.08585	4.4
204.09012	0.4
205.06506	0.6
206.07333	0.5
207.06473	0.8
207.08165	0.4
218.07323	1.1
219.08064	5.1
220.08847	1.4
221.09612	1.4
225.07594	0.4
231.08049	5.0
232.08678	0.6
234.06764	0.9
235.07608	0.5
236.08359	0.6
237.09117	2.1
247.07574	1.9
248.08406	0.9
249.09152	3.4
251.10677	3.6
259.07541	3.2
260.08237	0.4
261.08978	0.4
263.10675	0.9
264.07837	0.6
265.08575	3.8
266.09259	0.5
269.11676	0.3
276.07880	0.6
277.05527	0.5
277.08603	10.3
278.08975	0.5
279.10165	3.2
281.08014	0.8
281.11633	0.5
282.08826	1.0
291.10135	1.9
295.09641	0.4
297.11224	18.4
298.11584	0.7
309.11188	9.4
310.11847	0.4
327.12204	0.7
405.71082	0.3
480.25641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.9
53.03939	2.4
55.01869	47.2
55.05507	9.7
57.03428	2.7
57.07061	3.0
59.04980	1.1
61.02643	1.3
61.02925	15.4
65.03938	1.2
67.05503	20.1
69.03435	4.4
69.07067	22.3
70.06577	1.7
70.20296	1.0
71.04992	8.1
71.30638	0.9
73.02912	25.1
73.06535	1.4
79.05489	17.1
79.05923	0.7
81.03430	1.8
81.07054	62.9
83.01340	3.1
83.04981	13.9
83.08598	4.5
85.02877	3.0
85.06539	9.0
86.09679	2.2
87.00806	0.9
91.05473	16.2
93.07042	55.2
94.07377	1.2
95.04967	27.2
95.08597	24.7
97.02885	1.5
97.06528	18.8
99.04452	6.1
99.08070	1.7
101.01706	1.8
101.02375	37.8
101.06002	2.2
105.07027	32.1
106.07378	0.9
107.04957	2.9
107.08586	27.9
109.02873	1.0
109.06506	10.3
109.10146	6.8
111.08075	72.7
112.08385	1.1
113.05989	3.6
115.03932	5.9
115.07577	1.6
117.06995	1.9
119.03414	2.3
119.04914	0.9
119.08594	11.7
121.06488	9.9
121.10169	7.3
123.04408	1.7
123.08066	6.0
123.10790	1.7
123.11697	33.2
125.05987	5.1
125.09649	1.9
126.53513	1.1
127.03834	1.4
127.07532	3.5
129.06921	1.5
131.08560	3.7
133.04930	5.7
133.06500	1.7
133.10129	24.6
135.08054	8.1
135.11676	1.8
137.05971	3.2
137.09592	1.8
137.13242	1.9
139.07559	5.4
139.11168	1.3
141.05402	1.2
142.07771	1.5
142.55318	0.8
143.03416	1.3
143.08580	1.4
145.10150	4.6
147.02884	5.7
147.08072	2.4
147.11681	35.0
148.12010	1.4
149.09618	2.5
149.13243	4.4
151.07541	1.8
151.11180	21.9
152.11450	1.2
153.09113	1.0
157.08687	1.5
157.10120	5.0
161.04449	100.0
161.13214	3.6
162.04736	1.5
163.11241	1.6
165.12738	17.3
167.06960	1.1
169.12234	80.7
170.12569	2.8
171.11682	3.0
173.04396	2.8
173.09537	1.5
175.11194	20.8
176.11520	1.3
189.12744	9.7
191.10596	1.2
193.12228	32.3
197.08215	1.0
199.11163	4.3
207.13756	4.9
210.75493	1.0
211.13287	35.7
212.13748	1.6
217.12239	18.2
223.13293	1.2
223.16920	1.7
235.13264	10.2
239.09160	1.1
243.08647	5.9
245.33221	0.9
253.10715	2.3
253.14340	3.9
257.10165	2.1
259.08127	2.5
269.10217	2.9
283.15289	1.0
293.13876	5.3
307.15494	2.2
311.14871	31.7
312.15308	2.4
325.16409	3.0
329.15912	30.0
330.16211	1.5
335.15112	4.9
353.15933	9.6
440.43866	0.9
471.18024	1.7
489.19034	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	489.3214
Annotation	Heteronemin
Peak:m/z	Relative Intensity
55.05513	16.3
56.29624	3.9
58.02564	4.1
67.05506	20.8
69.03451	6.4
69.07073	100.0
69.63277	15.9
73.06565	13.1
79.05492	19.3
79.05907	4.4
80.04211	4.1
81.07052	39.8
83.04989	6.7
84.51364	4.6
85.06563	4.5
91.05493	21.3
93.07064	28.4
95.05001	17.6
95.08636	26.9
97.06547	22.0
98.22614	8.3
99.08096	6.4
105.07030	35.6
107.08601	36.9
109.06499	13.6
109.10196	13.6
111.08101	5.2
115.07581	9.2
117.07011	10.6
119.08572	32.1
121.06513	15.7
121.10162	33.1
123.08075	6.9
123.11713	8.3
125.09657	11.7
127.11184	5.3
128.06259	7.9
129.07051	12.2
131.08549	31.9
133.09227	4.1
133.10115	24.9
135.11714	11.7
142.07811	7.0
143.08574	29.3
145.10138	31.4
147.08067	6.9
147.11702	20.1
155.08614	18.2
157.10167	28.6
159.11719	22.2
159.86777	4.7
161.09689	5.7
161.13246	7.7
163.11255	7.1
163.14793	5.5
167.08621	4.9
168.09438	5.9
169.10139	18.5
171.11688	26.3
173.09644	6.9
173.13295	17.0
175.11139	5.6
175.14857	6.0
181.10161	9.3
181.12241	11.4
183.11708	13.3
185.13341	16.8
187.14781	8.0
189.16359	4.7
193.10153	9.2
194.11084	4.9
195.11786	5.9
197.13223	12.2
199.14850	15.7
201.16414	6.8
207.11760	6.6
209.13309	12.5
211.14946	7.6
213.16376	7.2
223.14839	15.2
225.16412	8.9
229.15855	9.5
239.18004	7.7
241.15854	10.1
243.17511	5.0
249.16510	19.4
251.18103	5.5
267.17474	45.2
268.17709	4.8
279.21167	11.3
285.18384	30.1
292.82587	4.5
297.22137	24.1
315.23141	13.6
327.19586	5.5
343.96597	5.5
345.20657	8.3
357.27774	7.6
367.26187	6.5
383.29471	5.5
385.27402	60.4
390.48151	5.7
393.27859	40.1
411.28842	54.4
429.30093	33.5
471.31012	37.9
489.32074	56.7
490.31668	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	489.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.0
57.07051	3.5
67.05515	20.7
69.03422	7.6
69.07073	22.8
69.60139	2.5
71.04989	5.1
79.05488	17.2
81.07063	33.5
83.05006	3.9
83.08604	7.0
85.06521	2.8
86.11732	2.9
87.11214	2.3
87.14546	2.7
91.05478	22.2
93.03439	3.5
93.07040	33.7
95.04982	5.8
95.08611	50.7
97.06551	7.5
99.08087	4.5
105.07040	35.6
107.08598	53.8
109.06518	10.3
109.10162	37.6
111.08092	5.4
117.07011	9.9
119.08569	52.0
121.06540	8.4
121.10139	34.1
123.08057	9.7
123.11731	12.3
125.05995	5.8
125.09641	4.1
127.03921	3.4
129.06996	4.5
131.08601	21.4
133.10132	33.8
135.08061	11.0
135.11710	18.7
137.09628	11.1
137.13254	5.3
138.29643	2.4
143.08549	18.6
145.10115	33.5
147.08067	17.6
147.11652	19.0
149.09656	13.7
149.13333	12.1
151.07596	5.4
151.11212	4.4
155.08563	6.5
157.10104	21.8
159.08011	4.7
159.11700	24.9
161.09599	11.7
161.13205	14.6
163.11180	5.9
163.14836	9.4
165.09126	5.6
165.12883	3.8
169.10124	5.6
171.11696	19.6
173.09668	6.6
173.13264	19.8
175.11230	3.3
175.14827	12.5
177.12749	6.7
177.16342	3.9
179.14301	7.1
181.10219	2.9
181.12303	2.7
183.11711	9.0
185.09627	4.0
185.13242	13.2
187.11237	5.5
187.14822	16.9
189.12810	7.4
189.16316	6.9
191.14330	8.6
195.11690	5.0
197.13240	5.6
199.11349	3.0
199.14839	8.0
200.15157	2.8
201.12860	6.5
201.16368	8.6
203.10728	3.5
203.14316	79.3
203.17906	3.2
204.14662	4.2
205.12248	4.8
205.15903	27.5
207.17325	3.1
209.13213	5.1
211.11311	3.5
211.14824	3.3
213.12758	4.0
213.16331	3.6
215.14371	5.6
217.15814	12.1
219.13849	4.5
219.17342	4.2
225.16420	4.8
227.14238	6.1
227.17932	3.6
229.15886	9.0
231.13937	3.2
231.17517	7.9
239.17876	2.7
245.15439	2.9
245.19028	6.7
257.15411	3.9
257.19037	4.2
265.19592	3.5
267.17566	4.5
267.20709	3.0
269.19254	2.9
283.20395	3.1
285.18539	3.9
293.18781	3.1
297.18463	4.2
325.25226	7.4
365.16675	3.2
389.28363	4.0
397.27237	5.7
405.27765	8.9
407.29395	23.4
409.31039	46.8
410.31546	5.6
411.29065	3.4
417.27890	3.1
423.28943	100.0
424.29303	11.8
429.30478	3.0
435.28909	17.3
436.29523	3.2
441.29889	10.6
453.29971	93.6
454.30331	7.4
464.15277	2.8
464.58044	2.6
471.30923	53.3
472.31345	6.3
489.22034	5.4
489.32022	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
52.07143	13.4
54.35331	13.6
67.05496	53.5
69.07063	64.1
69.21749	91.5
73.95377	13.7
75.18238	13.5
76.49783	16.4
79.05482	21.4
81.07057	59.4
83.04974	20.7
84.45887	14.5
91.05473	32.4
93.07040	42.2
95.08602	100.0
97.06499	19.9
98.23417	18.5
98.45007	15.5
101.12262	14.2
105.07017	45.1
107.08612	55.1
108.58614	14.1
109.10184	86.3
117.07022	15.3
119.08608	43.7
119.50752	14.7
121.10140	54.1
123.11717	27.9
123.27487	13.5
131.08577	22.6
133.10138	50.9
135.11685	47.6
137.13229	19.3
143.08604	21.5
145.10146	30.5
147.11711	43.3
159.11719	38.3
161.09697	18.5
171.11662	16.0
173.13246	22.3
175.14818	23.8
187.11375	17.8
187.14867	21.3
189.16405	17.5
199.14949	15.3
221.15469	28.1
249.18520	18.7
267.17484	25.4
393.27576	18.2
435.33130	22.9
453.33557	43.7
471.34741	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
52.06884	2.4
53.03926	3.0
55.05508	15.9
57.07075	7.1
67.05498	14.7
69.03431	5.9
69.07077	22.7
71.04994	2.5
76.82406	2.4
79.05504	15.7
81.07058	33.7
83.04973	5.0
83.08625	9.0
85.06549	3.7
91.05463	12.8
93.07049	27.1
95.04960	7.4
95.08610	52.2
97.06524	9.5
97.10182	4.5
105.07032	23.7
107.08595	44.6
109.06521	11.1
109.10152	35.2
111.08022	5.1
111.11714	6.7
117.07030	3.2
119.08586	36.7
121.06519	8.4
121.10148	52.2
122.10471	3.5
122.92177	2.5
123.08068	10.2
123.11709	37.0
125.06016	3.0
125.09617	3.2
131.08556	14.1
133.10124	29.2
135.08061	12.7
135.11671	29.4
137.09642	5.5
137.13286	11.8
137.14191	2.2
139.07544	4.6
139.11188	3.5
141.06982	3.3
143.08571	5.5
145.10114	23.1
147.07982	3.2
147.11694	18.0
149.09666	7.2
149.13280	18.5
151.11172	6.6
151.14778	3.4
153.09029	2.8
153.12781	2.8
155.08557	2.6
156.81046	2.4
157.10110	8.1
159.08012	3.4
159.11726	18.7
161.09622	5.9
161.13269	15.3
163.11165	13.4
163.14844	7.6
165.12782	5.3
167.10641	3.0
169.10226	4.7
170.10931	2.4
171.11684	7.4
173.11942	2.7
173.13264	15.3
175.11220	4.5
175.14792	7.5
177.12776	7.4
177.16409	12.3
179.10629	2.8
179.14383	2.3
181.12241	8.0
183.11720	3.6
185.13284	8.0
187.11259	3.9
187.14844	12.6
189.12724	4.9
189.16356	15.3
191.14307	29.0
191.17982	6.6
193.12212	3.1
193.15895	3.7
197.13206	3.9
199.14851	5.9
199.38416	2.5
201.16393	10.1
203.14339	6.3
203.17950	4.5
205.15773	13.7
205.19644	3.8
206.16650	6.0
207.17479	25.9
211.14847	2.9
213.16423	6.8
215.14326	5.2
219.17456	18.4
221.15379	3.3
221.18961	3.1
231.17490	3.1
233.15353	4.6
237.18576	3.2
247.20598	5.9
249.18510	4.3
261.22095	3.1
291.23163	6.1
383.33600	3.0
407.33066	21.3
408.33527	2.8
425.34177	100.0
426.34363	9.5
435.32269	3.9
443.35278	23.7
444.35339	2.8
453.34033	13.0
471.35461	25.7
489.30344	9.2
489.35898	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	489.3579
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
50.34608	1.2
52.39682	1.3
52.73156	1.4
53.03934	2.4
55.01883	1.5
55.05515	10.6
57.07066	3.6
65.03944	1.4
67.05514	17.4
67.46584	1.4
69.03438	3.0
69.07073	33.8
69.29366	10.6
71.04979	2.9
71.08638	1.9
79.05492	10.4
81.07066	33.1
83.04972	1.6
83.08609	6.9
85.06545	4.5
86.63181	1.5
87.27359	1.3
91.05477	11.2
93.07048	23.7
95.04977	3.7
95.08040	2.7
95.08614	37.8
95.09227	1.8
97.06544	4.1
97.10155	2.8
98.22598	2.8
99.04455	2.6
99.08085	3.1
105.07034	15.9
107.08603	33.3
109.06527	12.0
109.10171	32.7
111.08082	4.1
111.11717	10.9
117.07043	2.8
119.08578	27.2
121.06499	5.0
121.10154	32.1
123.08083	12.7
123.11717	15.0
124.12038	1.5
125.09663	3.0
125.66663	1.6
127.07529	1.4
127.11172	1.3
129.06982	2.2
131.08577	5.6
133.10133	17.2
135.08069	6.3
135.11723	14.2
137.09648	5.9
137.12335	1.9
137.13249	8.8
139.07585	2.6
139.11124	3.0
143.08563	3.1
145.10147	14.4
147.08076	2.3
147.11674	11.6
149.09659	5.9
149.13269	11.9
151.11212	3.5
151.14812	3.3
153.09119	2.2
153.12663	1.3
157.10133	6.7
158.70699	1.8
159.08150	1.9
159.11710	13.9
161.09625	3.6
161.13231	9.0
163.11209	6.3
163.14853	4.7
165.12755	3.1
167.10699	2.4
171.10402	1.4
171.11678	7.8
173.13269	11.5
175.11160	4.0
175.14848	8.0
177.12782	4.7
177.16405	3.3
181.08571	1.4
181.12216	4.0
183.11711	3.5
183.68996	1.4
185.13318	6.4
187.11235	2.0
187.14833	9.0
189.12805	3.1
189.16394	8.9
191.14314	5.8
191.17911	3.8
197.13249	3.0
199.14771	4.7
201.12811	2.4
201.16428	10.0
203.14310	2.6
203.17935	4.6
205.15886	4.3
205.19649	1.9
207.17291	1.8
209.15379	2.8
211.14999	1.9
213.16402	3.1
215.14258	2.1
215.17984	2.1
216.41957	1.4
217.15878	2.3
217.19482	2.1
219.17484	5.6
221.15355	2.4
227.17917	1.7
229.19583	2.0
231.14107	1.3
231.17210	2.0
233.19060	7.6
238.57959	1.6
247.16885	1.7
247.20634	5.5
249.18565	2.9
255.17331	1.8
259.17072	1.6
259.20547	1.9
261.22144	2.7
263.20023	1.5
269.22763	1.9
271.20465	1.7
273.22113	3.7
275.23715	3.4
287.20624	1.5
287.23602	7.4
289.21600	1.6
297.22174	3.1
301.25348	1.5
315.23199	4.6
339.93277	1.5
351.26828	1.9
361.23962	2.0
363.78931	1.8
365.28195	2.9
383.29254	2.3
389.32059	3.1
407.33142	11.3
411.28625	2.8
425.34235	31.6
426.34320	2.7
431.19006	1.4
435.32773	3.4
443.35229	100.0
444.35446	9.8
453.34052	11.0
454.34137	2.3
455.31564	4.8
471.35107	19.9
472.35022	3.5
473.32159	1.6
489.36716	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	490.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95869	1.5
53.03935	4.4
55.01866	2.0
55.05521	1.9
57.03432	4.0
59.05004	36.2
61.02925	2.6
65.03941	2.0
67.02198	1.4
67.05498	2.4
69.03437	17.8
69.07071	2.2
70.06588	8.9
71.04982	3.7
72.08145	1.7
73.02902	2.6
74.06094	1.7
79.05494	2.4
79.75814	1.6
80.06437	1.6
81.03409	12.1
81.07053	3.1
81.48893	1.5
84.08142	1.6
85.02910	32.9
86.09723	7.7
87.03932	2.1
87.04464	36.8
91.05489	14.0
93.07018	2.1
95.08583	2.7
96.48557	1.4
97.02892	39.6
99.04455	5.6
103.03895	1.8
103.05429	1.7
105.05495	21.9
105.07032	4.0
107.08569	3.7
108.04460	3.5
109.02867	11.0
109.06564	1.8
115.19612	1.6
117.07031	1.8
118.04102	1.7
119.04952	21.4
119.08593	2.1
120.08163	3.3
127.03921	27.3
133.06494	1.9
133.10039	2.0
137.06006	4.7
145.04956	19.5
145.10139	2.6
147.04407	18.4
157.03963	2.2
161.05945	4.4
163.05981	1.6
167.07089	3.1
173.05986	2.3
175.03905	40.6
183.02864	1.8
189.12753	4.6
192.04185	7.3
207.06531	100.0
207.13837	3.0
208.06898	2.9
221.08041	2.8
225.07558	37.7
226.07809	2.1
231.08685	10.3
249.09792	8.8
269.79636	1.6
271.09607	2.5
287.05460	2.1
328.28311	2.2
422.12491	1.8
490.15674	2.0
490.26682	4.2
490.33029	3.4
491.18881	2.4
491.31509	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	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45294	1.8
53.03941	3.0
55.01881	3.5
55.05478	2.7
67.05506	4.3
67.66727	2.2
69.03444	6.5
70.06597	16.6
70.33832	2.6
70.34156	4.1
71.04995	3.4
72.08170	3.6
79.05488	3.8
79.50194	2.0
81.03426	4.6
81.07065	6.3
84.04514	3.6
84.08147	2.3
85.02905	30.5
85.06580	3.0
86.09720	12.0
87.00839	3.5
88.03952	1.9
91.05476	9.3
93.07018	4.8
95.08635	2.9
97.02915	5.3
99.04465	3.1
103.05499	2.8
105.01869	2.1
105.07037	16.9
107.05000	1.8
107.08604	5.8
109.02888	4.4
109.06538	4.4
109.10143	3.4
109.98233	1.9
117.07007	4.0
119.08578	20.0
120.08096	5.2
121.10136	7.6
123.11714	17.1
127.03917	9.9
131.08603	4.7
132.13892	1.8
133.06506	9.3
133.10120	3.7
135.08025	5.0
137.05956	9.4
143.08580	3.4
145.10147	16.7
147.04489	2.5
147.08008	5.8
147.11674	29.1
148.11975	2.6
149.09630	6.1
151.56628	2.0
156.09344	5.2
159.02892	2.5
159.08066	2.2
161.06001	10.9
161.13324	2.7
167.07155	2.1
171.11642	12.8
189.12752	100.0
190.13104	5.1
207.06499	9.8
207.13826	40.2
225.14799	4.3
282.07721	2.7
310.27554	2.9
311.12717	3.0
429.16754	2.7
472.32629	7.4
490.21423	4.2
490.27148	6.8
490.33377	3.8
491.17081	2.9
491.32013	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.4
55.05493	3.1
55.20868	2.4
57.03451	3.4
59.04974	2.8
60.51558	2.3
65.44681	2.7
67.05526	6.8
69.03423	15.2
69.07063	5.1
69.17295	17.6
69.17702	6.3
70.06573	2.7
71.04982	3.9
73.02921	3.3
79.05481	9.0
81.03423	14.9
81.07053	20.0
83.04979	5.6
85.02902	29.4
85.06548	5.0
87.00829	10.2
91.05491	8.1
92.05738	2.8
93.07045	8.6
95.04955	5.1
95.08614	16.5
96.10007	2.8
97.02884	15.7
97.06495	4.8
98.22633	5.5
99.04462	11.3
105.01871	9.9
105.07030	17.5
107.08592	36.2
109.02885	14.6
109.06523	28.6
109.10142	6.5
111.11718	4.0
113.33827	2.7
115.03963	2.8
119.08577	12.1
121.10120	20.9
123.08069	29.4
123.11724	7.0
125.06079	3.1
125.09625	6.6
127.03928	22.6
128.66306	2.7
131.08530	6.7
133.10110	3.9
135.04434	4.8
135.11690	3.3
136.07596	8.8
137.09590	5.9
137.13235	4.0
145.04947	5.5
145.10147	7.4
147.11670	19.5
149.09608	34.5
151.07558	32.8
153.01819	8.7
156.09354	3.7
159.02896	5.1
161.13248	4.8
163.03909	6.8
163.11166	3.5
164.07074	7.1
165.09102	2.6
165.12724	26.8
167.10674	10.0
171.11678	6.7
175.70227	2.5
179.14325	16.7
183.13806	5.4
189.12744	19.1
207.11865	3.8
207.13814	69.8
225.14885	12.2
231.04962	3.8
255.11331	3.8
256.09738	9.7
287.05496	100.0
291.15256	2.9
490.20486	7.0
491.12054	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01873	3.8
55.05516	3.1
57.03406	2.0
67.05501	4.2
69.03433	5.6
69.07071	2.7
70.06593	3.3
71.04982	3.0
79.05487	4.2
79.27491	1.7
81.03427	5.3
81.07060	6.8
85.02917	13.9
86.09691	3.1
87.00832	3.8
91.05475	12.5
93.07038	6.6
95.04962	3.8
95.08617	4.5
97.02920	4.8
99.04447	2.2
105.01873	3.2
105.07028	19.6
107.08608	13.3
109.02854	4.2
109.06510	10.7
111.08080	2.2
115.05491	2.4
117.07039	4.7
119.04949	2.2
119.08587	19.7
121.06520	4.8
121.10162	5.1
123.08072	5.1
123.11731	4.4
127.03906	5.3
131.04948	3.4
131.08551	2.7
132.06584	2.2
133.06528	8.3
133.10127	2.9
136.07570	9.6
137.06000	6.7
137.09641	1.8
143.08516	1.9
145.04926	4.8
145.10156	19.7
147.08054	2.3
147.11696	35.6
148.12048	2.9
149.09622	12.3
151.07523	4.5
152.07060	2.5
156.09364	4.6
159.02946	1.9
161.05937	4.9
163.07518	2.9
164.07095	7.3
165.09018	1.8
167.10698	5.6
171.11732	5.3
174.10396	2.8
177.09045	1.9
189.12755	100.0
190.13092	6.4
193.08554	3.7
193.12231	1.8
207.13795	23.2
225.14896	7.1
234.77010	1.9
287.05496	13.4
382.69299	1.7
490.18665	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01879	3.1
55.05518	1.1
57.03435	2.7
58.46955	0.7
61.02927	3.0
67.05505	2.4
67.15915	0.8
68.99784	1.2
69.03439	11.4
69.05503	7.8
71.04988	2.5
73.02917	3.4
75.72223	0.8
79.05500	1.6
81.03418	8.1
81.07037	2.2
83.04980	3.7
83.08663	0.8
85.02911	26.8
86.09711	0.9
87.00837	12.1
91.05478	2.5
93.07048	3.1
95.04969	3.3
95.08593	4.8
97.02900	11.9
97.06541	1.5
99.04447	4.0
99.08101	1.8
105.01885	10.3
105.07039	2.5
107.04974	1.1
107.08628	2.2
109.02876	7.8
109.06512	4.5
109.10178	1.4
111.04468	2.6
112.20424	0.9
112.67853	1.0
113.09634	0.8
119.08578	3.7
120.62150	1.1
121.06516	2.2
121.10149	5.1
123.08075	100.0
124.08426	2.9
125.06019	2.1
125.09613	1.4
127.03921	19.8
131.08650	0.8
133.10152	2.0
135.11636	1.3
137.05989	3.4
137.09616	1.3
145.04977	7.3
145.06499	1.2
145.10132	2.5
147.11674	1.8
149.09627	4.9
151.07535	2.8
151.11192	4.6
153.01904	0.9
159.02911	4.6
161.13206	1.5
163.11172	6.9
165.09158	1.9
167.07082	3.3
167.10693	3.7
181.04942	1.7
181.12236	9.4
189.12729	2.9
205.12317	2.3
207.13815	11.6
225.14862	33.9
225.17084	1.7
231.05026	3.9
256.18515	0.8
287.05536	18.9
321.75348	0.9
490.27026	1.4
491.18777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	45.3
57.07074	11.7
67.05516	51.6
69.03423	27.2
69.07082	33.2
70.62651	18.3
72.26192	12.2
79.05508	39.0
81.03389	10.6
81.07064	72.0
82.03720	9.9
83.05005	14.0
83.08625	23.8
85.02911	37.3
91.05499	47.9
93.07034	56.7
95.05002	20.5
95.08619	56.0
97.02881	13.9
97.06564	16.1
97.10184	38.6
105.07029	52.7
107.08608	82.4
109.06557	13.6
109.10166	37.7
119.08585	38.2
120.08935	11.3
121.10155	45.1
123.11739	19.2
125.09657	30.9
127.03941	22.6
131.08604	17.9
133.10153	52.4
135.08099	24.0
135.11690	30.3
145.10152	22.0
147.11688	28.6
149.09627	20.0
149.13304	13.7
159.08022	11.3
159.11717	11.6
161.13409	25.4
173.13184	14.0
189.11235	28.2
199.14703	11.1
201.16350	11.9
212.16495	35.6
230.23131	10.7
232.77342	10.8
275.19943	56.6
287.05530	100.0
293.21085	20.5
299.42627	11.3
310.23758	18.3
310.91388	12.0
328.24945	11.6
392.92191	14.4
446.18939	24.2
446.80832	13.3
490.18384	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01886	3.5
55.05513	17.9
57.03446	6.1
57.07069	2.7
62.42287	2.2
67.05511	34.5
68.05843	3.0
69.03454	2.6
69.07080	22.6
69.19155	10.3
69.19567	8.2
70.58175	2.7
71.04969	2.7
79.05487	17.7
81.07070	52.5
82.07401	4.8
83.04988	4.3
83.08617	11.1
91.05476	22.2
93.07056	33.3
95.04978	4.2
95.08616	67.0
96.08959	3.5
97.06533	5.3
97.10178	8.2
98.98485	21.5
101.06003	3.7
105.07039	39.1
107.08605	48.8
108.26527	2.7
109.06523	7.2
109.10152	32.0
110.10489	4.6
111.08072	7.8
111.11721	3.4
117.07014	6.9
119.08594	71.0
120.08897	7.3
121.06534	5.7
121.10162	44.0
122.10482	8.5
123.08065	7.4
123.11711	24.5
125.09610	4.3
131.08562	11.2
133.10127	41.2
134.10455	3.2
135.01825	2.7
135.08054	8.5
135.11697	30.5
136.12059	5.2
137.09727	3.5
137.13281	6.3
143.08553	6.9
145.10138	35.1
146.10452	3.1
147.11687	32.9
149.09610	7.5
149.13286	9.4
151.11133	2.8
155.01068	21.6
157.10143	14.9
159.08095	3.9
159.11699	24.9
160.12077	3.6
161.09628	4.6
161.13298	21.9
163.11191	38.2
163.14851	10.8
169.10057	4.5
171.11691	11.8
172.12270	4.6
173.09622	5.6
173.13249	9.6
175.11253	4.8
175.14845	13.5
177.12770	6.0
177.16376	3.9
183.11731	4.5
185.13322	9.3
187.11320	4.6
187.14857	11.0
189.12788	7.3
189.16397	100.0
190.16689	4.5
191.10692	20.1
191.14369	3.3
191.17995	4.0
193.12172	4.6
195.13837	3.1
197.13274	3.6
199.14867	5.8
201.12778	3.7
201.16399	11.5
203.17982	11.8
205.12215	5.0
205.15855	2.7
205.19537	2.9
207.13808	3.4
207.17508	12.6
211.14758	4.3
213.16351	8.4
215.18163	3.6
217.15898	4.2
221.15344	2.8
221.18886	4.1
223.16949	6.3
231.17386	3.3
239.17723	3.5
243.17352	3.6
249.18573	13.7
259.17041	6.2
263.23337	2.6
287.05536	4.2
310.87982	3.0
337.27347	25.1
377.28549	3.8
395.29477	36.4
396.29468	4.1
408.95432	3.4
413.30670	6.5
427.31876	4.3
436.33160	3.0
437.30408	4.6
455.31454	90.5
456.31827	9.8
472.35602	4.5
473.26544	4.5
473.32513	51.6
474.32773	5.8
490.36594	5.8
491.31369	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	490.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43608	8.5
54.87925	10.0
55.05513	20.9
57.07086	11.4
58.54468	9.8
67.05495	68.9
69.07079	34.0
69.16500	83.5
79.05507	22.2
81.07064	75.2
82.07419	8.6
83.04993	8.9
83.08633	11.9
91.05498	25.6
93.07055	45.9
95.04933	8.7
95.08611	100.0
97.10184	14.1
99.14300	8.9
104.18095	8.6
105.07052	37.8
107.08603	42.5
109.10158	86.6
111.08092	43.0
113.52554	10.4
119.08566	44.0
121.10157	31.8
123.08070	35.5
123.11732	24.7
126.96648	8.6
127.11185	26.9
131.08574	13.5
133.10149	24.1
135.11737	27.4
137.09589	14.7
137.13268	20.5
145.10173	26.9
147.11682	18.2
149.13274	13.7
149.71202	8.7
157.10226	15.1
159.11719	14.3
161.13223	23.6
171.11630	11.8
173.13226	13.7
175.14882	18.3
183.00438	10.3
185.13286	14.7
187.14966	9.3
191.18044	8.7
196.01328	8.7
207.17551	13.2
212.15683	9.5
319.75418	10.2
437.34189	37.1
455.35355	32.6
472.35437	11.5
490.35379	46.1
491.35727	28.6
509.26785	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	490.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78224	4.5
55.01905	5.0
55.05525	25.9
57.03438	10.2
57.07085	8.7
65.03934	5.3
66.19374	4.9
67.05503	50.8
69.03448	5.0
69.07063	37.6
71.04994	7.7
71.31596	6.0
75.68848	4.7
76.82529	4.6
79.05500	24.9
81.07059	70.3
82.07393	6.2
83.04971	6.9
83.08611	18.7
85.06526	9.8
91.05467	24.1
93.07041	46.7
95.04979	13.6
95.08604	100.0
95.13129	4.7
96.08936	10.1
97.06525	7.9
97.10180	10.3
98.98466	32.5
99.08093	7.2
103.05495	7.8
105.07030	47.7
106.07298	6.6
107.08595	76.5
108.08888	8.1
109.06490	9.4
109.10152	59.6
110.10467	10.9
111.08088	13.6
117.07037	9.2
119.08585	56.4
120.08914	8.6
121.06532	8.3
121.10142	66.8
122.10516	11.8
123.08070	13.6
123.11742	31.3
124.93771	5.5
125.09538	6.1
127.07556	6.9
131.08582	16.9
132.90701	4.5
133.10135	46.9
133.51933	4.6
134.10464	8.8
135.08064	13.5
135.11661	39.9
136.12004	8.2
137.09625	16.6
137.13245	13.3
143.08542	6.7
145.10112	26.0
146.10486	10.4
147.11671	29.6
149.09592	5.8
149.13295	23.9
151.11192	12.3
151.14754	6.4
155.01042	38.3
157.10150	12.0
159.11716	33.5
161.09596	8.0
161.13213	20.7
163.11156	12.2
163.14815	17.7
164.63524	4.8
171.11656	14.8
172.11964	5.5
173.13304	23.8
175.11256	6.5
175.14854	19.1
177.16370	6.9
181.12286	6.5
183.11710	7.4
185.13255	13.8
187.11098	9.4
187.14813	12.7
189.12701	6.7
189.16399	35.1
190.16676	11.7
191.17932	13.7
197.13257	10.2
197.51711	5.0
199.14786	7.0
201.16373	9.8
203.17949	10.2
205.12357	8.6
205.15843	12.0
207.17429	6.8
209.13426	7.0
211.14859	5.8
213.16377	7.4
217.15891	8.0
231.17372	7.7
233.19017	8.1
239.18065	6.7
287.05649	7.2
337.27448	31.4
367.29962	6.5
370.41641	6.0
385.31107	6.2
395.29285	13.8
412.33246	8.2
413.30518	14.5
436.33035	5.1
437.34683	9.9
454.33868	11.6
455.36160	42.9
472.35162	10.8
473.04321	5.6
473.32367	23.5
490.36591	26.2
491.20972	10.9
491.32007	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	491.1163
Annotation	Isoorientin 6''-O-acetate
Peak:m/z	Relative Intensity
60.05642	1.2
60.48040	0.7
69.53823	3.9
70.06604	1.7
74.06098	1.4
77.57080	0.7
86.09708	2.4
121.04820	0.9
135.04503	1.0
145.02853	1.7
148.23708	0.7
163.03931	4.8
177.05557	2.1
185.04279	1.3
237.00662	1.1
302.80618	0.8
327.27051	0.8
329.06354	1.6
339.06769	1.8
344.12054	0.8
362.12842	1.2
466.55267	0.9
473.10620	5.8
491.11624	100.0
492.12091	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	491.1182
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.75932	0.1
55.01883	0.3
55.05509	0.2
57.03429	0.2
61.02921	0.1
67.01862	0.5
67.05500	0.3
68.99796	0.6
69.03415	0.4
69.07076	0.4
69.16047	1.0
69.16457	0.3
71.05000	0.3
79.05503	0.6
81.03419	0.3
81.07040	0.9
83.04992	0.3
85.02898	0.5
85.06551	0.1
86.03238	0.2
87.00830	0.3
89.03931	0.3
91.05486	0.4
93.07044	0.8
95.04971	0.5
95.08585	0.8
97.02898	0.3
97.06538	0.5
98.22617	0.3
99.04504	0.2
103.05454	0.2
105.07024	0.6
107.08575	0.7
109.02882	0.3
109.06502	0.3
109.10137	0.3
111.00819	0.2
111.08080	0.3
117.03426	0.4
119.08595	0.5
121.06480	0.3
121.10127	0.4
123.08073	0.6
123.11747	0.2
125.02278	0.2
127.03870	0.3
129.01819	0.3
133.10103	0.5
135.04410	2.0
135.08054	0.2
135.11725	0.2
137.02364	0.5
137.05974	0.4
137.09569	0.2
145.05009	0.2
145.10141	0.2
147.04416	0.2
147.11668	0.6
149.02332	0.3
151.07556	0.3
153.01826	6.0
161.02350	0.6
161.06013	0.1
163.11153	0.2
164.07208	0.2
165.09235	0.2
167.07056	0.3
171.02887	0.9
171.11642	0.2
175.11224	0.2
179.03459	0.2
179.14313	0.3
181.04904	0.3
189.12680	0.3
191.06982	0.2
193.12273	0.4
207.13817	0.3
209.15427	0.4
211.13306	0.4
213.05563	0.3
217.12267	0.5
225.14764	0.4
226.15147	0.3
229.13469	0.2
231.04985	0.6
235.13216	0.4
241.04826	0.7
253.14207	0.3
255.11218	0.5
257.12878	0.5
269.04443	0.4
283.10748	0.3
286.10690	0.2
287.05487	100.0
288.05832	4.6
380.11288	0.2
462.89581	0.1
491.18185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
50.90039	0.0
67.01863	0.7
68.78454	0.1
68.84775	0.1
68.99783	0.4
69.01390	0.1
69.03423	0.1
69.65546	0.1
70.42252	0.1
81.03415	0.2
85.02911	0.2
89.03916	0.2
92.73659	0.1
97.02883	0.1
97.56129	0.1
105.61099	0.1
107.04935	0.1
109.02899	0.2
111.00813	0.1
111.04452	0.1
117.03376	0.2
127.03903	0.1
129.01823	0.1
135.03383	0.1
135.04422	2.1
137.02357	0.6
153.01828	6.2
154.02153	0.1
160.52634	0.1
161.02330	0.8
171.02902	0.4
171.04282	0.1
179.03345	0.3
185.05908	0.1
187.06071	0.1
199.03853	0.1
203.03418	0.1
213.05498	0.2
219.06528	0.2
229.16129	0.1
241.04936	0.6
245.04448	0.1
259.06042	0.1
261.66302	0.1
263.05585	0.1
269.04419	0.5
287.05490	100.0
288.05823	4.5
340.30713	0.1
388.95102	0.1
406.79559	0.1
491.11929	0.9
491.18533	0.1
492.12100	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03918	0.5
55.01856	0.3
55.05495	0.2
57.03415	0.3
62.01091	0.2
67.01837	0.7
67.05468	0.3
68.99776	0.5
69.03431	1.9
69.07053	0.4
70.67144	0.3
70.67459	0.2
73.02905	0.3
75.50669	0.2
79.05455	0.3
81.03427	1.9
81.07024	0.8
85.02908	2.1
91.05454	0.2
93.07021	0.3
95.08590	0.4
97.02905	1.2
99.04441	0.7
103.03941	0.2
105.07016	0.2
107.04935	0.4
107.08553	0.2
109.02884	1.8
109.10133	0.4
111.00761	0.2
117.03329	0.2
121.10162	0.2
123.08081	1.6
123.11729	0.2
124.08363	0.6
127.03941	2.0
128.04227	0.2
129.01804	0.2
132.82985	0.2
135.04417	2.2
137.02315	0.7
145.04927	0.5
151.07489	0.2
153.01831	6.9
153.03082	0.3
154.22887	0.2
161.02318	0.7
165.09100	0.3
171.02914	0.6
179.03368	0.3
187.05974	1.6
189.05493	0.3
191.06795	0.2
207.13820	0.7
208.14113	0.5
241.04965	0.8
258.05261	0.2
269.04437	0.4
280.62347	0.2
286.04797	0.5
287.05496	100.0
288.05820	5.9
329.06583	0.2
380.30649	0.2
397.33347	0.2
449.10944	0.3
491.11853	13.9
492.12100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3369
Annotation	Homaline
Peak:m/z	Relative Intensity
55.05526	11.6
57.07072	4.9
58.15155	2.4
67.05504	17.6
69.03414	3.1
69.07073	20.6
69.17988	13.7
69.18392	4.2
72.35314	2.3
72.97954	2.9
79.05506	13.5
79.27670	2.4
81.07059	39.4
83.04987	4.2
83.08646	4.9
85.06540	4.7
87.12040	2.7
91.05486	12.1
93.07035	19.1
95.04957	5.1
95.08607	43.8
95.52784	2.4
97.06550	2.8
97.10160	4.1
99.08101	3.1
101.06033	3.5
105.07038	18.8
107.08596	34.4
109.06521	11.4
109.10169	26.8
111.08057	3.6
111.11735	6.9
113.09647	2.8
119.08582	26.5
121.06506	2.9
121.10143	46.1
123.08030	11.6
123.11715	16.3
125.06014	2.8
125.09685	4.4
131.08556	10.4
133.10101	23.8
135.08038	18.5
135.11685	15.5
137.09601	13.3
137.13246	5.4
139.07529	3.6
139.11159	4.4
143.08633	5.3
145.10132	13.2
147.08008	3.1
147.11696	13.5
149.09616	9.6
149.13271	9.8
151.07558	3.4
151.11157	4.8
151.14807	2.7
155.07327	2.6
155.08588	2.5
157.10132	8.3
159.11723	14.0
161.09615	7.0
161.13275	8.7
163.11183	9.4
163.14874	4.7
165.09116	100.0
165.12772	4.0
171.11687	7.1
173.09744	2.6
173.13240	8.5
175.11238	6.5
175.14838	9.0
177.09126	4.9
177.12752	5.5
177.16376	3.3
177.67352	2.3
179.10603	2.5
181.12254	9.6
185.13287	3.7
187.11159	2.9
187.14825	5.1
189.12733	4.1
189.16356	8.1
191.10706	6.1
191.14279	3.0
191.17879	3.0
199.11137	3.5
199.14771	5.7
201.12778	4.1
201.16396	10.1
203.10681	9.3
203.14287	3.5
203.17998	3.6
205.12186	12.0
205.15860	5.1
207.17322	2.7
211.20764	2.4
213.16383	3.6
217.12256	3.5
217.15912	5.1
219.13763	5.1
219.17368	6.3
223.28621	2.8
229.15852	2.4
231.13750	4.1
233.15347	3.5
235.16814	3.1
243.17480	2.6
247.20518	2.8
261.94595	2.5
271.20599	3.0
273.21988	2.9
287.05524	11.2
365.31985	3.0
367.29932	4.5
391.29984	8.3
409.30853	26.3
427.32098	56.4
437.30359	5.9
455.30927	12.7
473.32825	16.8
491.25562	2.9
491.33026	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	491.3369
Annotation	Homaline
Peak:m/z	Relative Intensity
53.00838	5.3
55.05519	17.3
57.04570	4.4
57.07080	4.7
58.15325	4.5
67.05515	41.6
69.07084	34.2
70.57362	10.5
79.05499	26.1
79.53748	5.0
81.07057	65.9
81.49516	4.1
83.08617	11.8
84.75352	4.7
85.06537	8.6
91.05490	24.6
92.03781	5.2
93.07038	41.0
95.04958	4.4
95.08604	86.3
97.06528	6.3
97.10200	5.0
98.98479	41.6
99.04440	8.8
101.06036	6.9
105.07056	37.3
107.08611	52.4
109.10152	35.1
111.08132	5.3
117.07024	5.0
119.08591	39.5
121.10155	40.8
123.11711	17.2
131.08575	14.8
133.10123	42.2
135.11708	38.5
137.09654	13.0
137.13264	6.1
140.42570	4.6
145.10150	23.1
147.11693	32.2
149.13248	18.2
151.11205	5.9
155.01056	26.6
155.10750	7.0
159.11671	27.1
161.13283	19.1
163.11163	4.4
163.14798	8.1
171.11697	5.1
172.88522	4.7
173.13307	11.6
175.14818	8.2
187.14883	20.4
189.16428	15.1
191.17990	51.3
201.16351	10.3
202.74443	4.9
203.18011	13.3
205.12222	4.6
211.03548	4.7
213.16212	5.0
215.18053	6.1
217.19501	9.8
229.19644	21.7
231.21130	7.5
257.22729	40.9
273.04456	6.2
287.05594	4.7
295.17337	5.7
337.27313	30.6
346.44336	4.6
350.29239	7.7
367.29901	5.6
368.30139	12.4
385.31015	100.0
386.31461	8.7
395.29486	12.3
396.29834	15.9
413.30362	16.7
456.31989	10.5
473.32767	8.3
474.32947	12.7
491.31042	15.9
491.37131	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	491.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07253	2.2
53.03930	2.5
55.05518	6.6
57.07074	5.0
67.05507	6.6
69.03447	3.3
69.07068	17.4
69.88762	7.0
69.89155	5.0
79.05493	5.2
80.62584	2.2
81.07069	31.1
83.08617	12.5
85.02915	13.0
85.06525	3.8
91.05535	2.4
93.07054	6.9
95.08618	29.4
96.53178	2.4
97.10182	5.5
107.08613	3.8
109.10166	21.9
111.11712	8.1
119.08573	2.6
121.10123	4.0
123.11725	9.7
125.13276	6.4
128.11105	2.2
131.51367	2.2
137.13252	9.9
139.14790	2.5
142.25952	2.6
145.05023	4.8
145.42033	2.3
151.14833	5.7
153.01848	3.2
165.16373	2.6
170.71800	2.3
181.41878	2.3
225.96518	2.4
275.27213	4.3
280.98624	3.2
287.05530	100.0
288.05890	7.8
293.28455	5.7
308.19775	2.6
314.28564	2.9
338.46432	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	491.3733
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
55.05519	9.6
66.37012	4.4
67.05514	16.3
69.07063	15.7
69.43951	27.7
78.26769	4.8
79.05527	9.7
81.07067	29.0
83.08620	10.6
89.06661	4.9
91.05473	8.7
93.07049	25.7
95.08621	45.8
105.07037	20.7
107.08598	45.9
109.10162	24.6
119.08578	39.4
121.10153	58.1
123.11700	35.4
133.10133	24.9
135.11668	27.6
137.13330	5.9
145.10146	4.9
147.11722	15.9
148.76601	4.6
149.13260	14.2
157.28308	4.9
159.11670	7.8
161.13261	19.5
163.11179	7.9
163.14844	21.0
165.12755	5.7
167.10602	5.7
173.13327	8.1
174.90582	4.9
175.14799	17.1
177.16356	29.7
181.12260	13.3
183.00749	4.2
187.14847	8.6
189.16411	27.5
191.17961	50.7
201.16405	14.6
201.74091	4.5
203.17989	21.5
219.17485	7.8
226.64055	5.0
237.18517	17.6
247.20653	7.9
362.64001	5.1
409.34805	11.7
427.30505	8.8
427.35724	100.0
428.36096	12.0
455.35736	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	491.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94896	2.8
53.03928	3.3
55.05516	11.4
66.89967	3.0
67.05510	15.5
69.03418	4.5
69.07086	14.5
69.99718	10.5
71.42332	2.6
79.05495	12.9
81.07066	34.7
83.08614	9.8
85.06548	8.4
91.05491	16.2
93.07053	21.7
95.04979	5.1
95.08611	52.9
97.06532	6.2
97.10179	6.8
99.08111	5.1
105.07035	34.2
107.08597	35.3
109.06503	4.6
109.10163	35.9
111.08112	3.8
119.08582	44.0
121.06547	5.0
121.10159	37.0
123.08109	7.9
123.10953	3.5
123.11692	19.8
125.09581	3.6
127.11229	6.6
129.06982	4.1
131.08560	9.8
131.65683	3.1
133.10138	39.3
135.08073	8.0
135.11694	28.7
136.01195	2.8
137.09615	4.1
137.13268	4.1
143.08589	3.5
145.10107	17.7
147.11687	24.8
148.12131	2.6
149.02321	4.5
149.09610	5.4
149.13289	10.1
149.37015	2.9
151.11230	8.5
156.09399	3.3
157.10149	9.2
159.11728	14.0
161.13300	14.4
163.11205	3.0
163.14876	10.2
171.11719	7.1
173.13272	11.6
175.13358	3.3
175.14810	12.0
177.16518	4.2
181.12276	3.6
185.13338	9.1
187.14874	11.5
189.12820	3.9
189.16400	33.3
191.10648	3.7
193.15881	3.3
199.14874	7.1
201.16394	8.3
203.17995	5.5
205.15906	11.6
207.17477	23.7
215.17979	6.8
217.15886	5.3
219.17415	3.5
231.17616	4.2
273.22147	12.8
287.05481	19.7
393.89075	3.0
409.34790	13.3
427.35822	35.3
445.36856	100.0
446.37674	6.4
474.14606	5.5
491.23615	34.4
491.30524	4.8
492.24240	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.3
55.05541	0.3
57.03437	0.6
57.12922	0.2
61.02929	0.8
63.02383	0.6
69.03428	1.6
69.37154	1.6
70.06590	1.3
71.05012	0.5
72.08128	0.4
73.02924	0.5
79.05492	0.4
81.03410	0.9
81.07122	0.3
85.02901	5.1
86.09702	0.3
88.55441	0.3
89.03915	5.5
91.03987	0.3
91.05482	1.8
93.07029	0.3
95.04943	0.5
97.02905	1.3
103.05499	0.3
105.01917	0.4
105.07018	0.5
107.08588	0.3
109.02885	0.7
109.06529	0.3
117.03380	18.1
118.03743	0.5
120.08099	0.5
121.06475	0.3
121.10168	0.5
127.03938	1.1
131.08582	0.6
133.06519	0.3
133.10168	0.4
134.03621	1.3
134.04495	0.3
135.04433	0.8
137.05893	0.3
145.02844	44.3
145.04890	1.2
146.03191	1.2
149.05977	6.3
151.11127	0.3
162.03113	0.3
163.03938	0.6
173.13278	0.5
175.03876	0.5
177.05467	100.0
178.05815	3.1
186.05438	0.4
189.36189	0.3
191.14374	0.5
207.06587	0.6
207.78108	0.4
209.15300	1.3
227.16339	0.5
265.69165	0.3
492.25763	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29950	2.6
55.01889	5.6
61.02941	4.0
68.67148	2.6
69.03447	11.3
70.42168	4.3
70.42522	6.5
73.02919	7.8
81.03428	4.0
83.10358	2.4
85.02914	32.5
91.03951	3.3
97.02908	12.0
98.97632	2.4
103.03983	6.1
104.62188	2.4
109.02911	4.9
111.04466	3.4
115.05478	8.9
117.03392	3.3
123.96419	2.7
127.03952	9.3
129.07042	5.0
131.05043	4.2
133.06612	2.8
135.04408	15.9
139.03937	20.2
143.04933	18.8
145.02850	3.7
145.04994	6.5
147.04413	26.8
149.05975	5.0
157.06548	7.2
159.04465	3.9
161.05980	46.9
163.03918	100.0
164.04317	3.7
165.05609	2.9
169.06580	3.7
171.04413	6.8
173.06013	7.1
175.03943	12.4
175.07594	6.9
177.05447	20.4
181.04987	13.3
185.05969	12.4
187.03955	9.9
187.07587	4.8
189.05479	50.8
190.05545	3.8
191.03540	2.9
193.04933	30.8
197.28587	2.8
201.05423	6.4
203.07079	9.3
205.04971	18.0
207.06566	6.0
213.05487	40.6
215.06996	12.5
217.04945	18.8
229.05040	3.5
231.06529	50.9
232.06947	4.8
233.04561	4.1
235.06029	54.0
235.08266	4.3
241.05008	7.0
247.06184	6.2
249.07564	7.0
259.06036	73.2
259.08606	5.0
260.06271	3.9
265.07266	2.9
277.07071	41.5
295.08127	93.3
296.08618	4.6
493.18069	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	492.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01870	7.1
55.14504	2.3
57.03428	3.6
61.02924	4.8
64.12629	2.3
65.03923	2.6
69.03432	13.0
69.07025	2.2
70.06597	5.8
72.08162	2.9
73.02901	3.5
81.03419	5.9
84.04514	2.9
84.08167	3.4
84.13748	2.1
85.02912	39.1
86.09720	3.7
86.69904	2.2
88.03991	4.1
89.03930	4.4
91.03973	2.4
91.05484	5.6
93.07041	2.3
95.04969	3.0
96.54498	2.1
97.02908	10.0
98.23307	4.7
103.05492	4.5
105.07018	4.8
107.04944	4.1
109.02893	8.4
111.04439	8.0
115.05491	4.6
117.03394	13.8
120.08084	4.7
121.10161	2.9
127.03928	8.3
129.06985	10.1
131.04948	9.7
131.08582	3.5
133.06454	2.4
133.10129	4.0
135.04405	32.2
137.02371	3.1
137.05995	4.0
139.03905	37.3
141.06993	3.1
143.04947	8.4
145.02850	30.6
145.04965	7.6
147.04416	11.0
149.05946	6.9
155.03432	4.8
157.06479	13.0
159.04494	3.7
161.05980	23.4
162.45975	2.3
163.03897	43.1
163.07550	5.5
167.04930	2.8
169.06514	5.4
171.04404	3.4
173.05927	3.7
173.13303	5.2
175.03903	9.0
175.07561	10.1
177.05475	69.6
177.07014	3.6
181.04967	47.0
181.06448	4.2
185.05975	22.0
187.03952	6.6
187.07585	7.5
189.05460	19.5
191.03471	2.6
191.14346	3.0
201.05475	6.3
203.06998	12.3
205.04929	18.1
207.06602	3.8
213.05481	45.1
215.07001	16.4
217.05014	11.0
231.06532	74.2
232.06955	3.7
233.04453	3.4
235.06035	8.5
241.04912	3.7
247.06053	6.6
249.07571	7.9
251.05443	4.6
259.06021	100.0
260.06284	5.3
265.06985	19.2
267.08621	2.9
277.07098	55.9
295.08160	22.2
313.09097	4.5
410.71320	2.4
445.59146	2.3
475.18448	2.3
492.15771	4.9
492.24158	37.0
493.17175	8.2
493.23715	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	492.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05523	1.6
65.03942	1.8
67.01881	4.2
67.05505	4.4
69.39034	1.5
70.06591	2.4
71.31853	1.9
77.79213	1.4
81.07076	1.8
86.24222	1.5
89.71373	1.8
91.05499	2.6
95.05039	1.5
103.05450	2.1
120.64822	1.7
121.10194	1.7
122.06017	8.5
131.04942	1.4
136.07605	3.4
137.06010	6.6
144.08067	2.0
145.76982	1.7
165.09134	6.8
167.07111	2.7
169.07660	3.0
180.08160	1.9
181.05038	2.2
191.07143	5.2
193.07683	3.9
194.08302	3.4
195.09079	3.8
197.07121	1.8
206.08595	2.0
207.09207	5.4
208.10011	4.3
209.10675	13.1
210.11339	1.7
211.08693	3.3
219.09184	4.7
220.09987	3.5
221.07048	16.7
222.07820	25.5
223.08665	9.4
225.65947	1.5
235.08636	20.5
236.09451	9.3
237.10220	49.9
238.10764	2.5
247.08746	2.5
248.09474	2.1
249.06621	10.6
250.07346	11.6
251.08105	10.1
253.09776	5.2
263.08182	25.5
264.08945	16.4
265.09732	84.8
266.10440	11.2
267.07736	10.3
267.11121	3.6
268.08392	4.7
269.09021	2.9
275.08054	3.2
277.06247	4.1
278.06897	6.0
279.07617	3.6
281.09174	12.6
282.09891	10.4
283.10876	2.8
291.07745	7.6
292.08386	2.2
293.09213	100.0
294.09750	10.3
295.10834	7.6
296.08020	6.4
309.08780	19.8
310.09274	4.5
311.10294	29.3
311.13840	2.6
321.08679	6.7
323.10248	11.4
325.11813	8.0
336.07544	2.7
337.04111	2.2
337.08188	38.2
338.08917	16.6
339.09756	48.7
340.09903	2.5
351.09842	4.5
355.09293	16.9
357.10825	6.6
357.85324	1.7
369.10809	26.0
370.11246	6.4
372.13809	2.7
390.14548	11.7
391.14941	2.0
416.15994	4.6
432.15698	11.1
442.13995	2.1
460.14890	6.2
492.17441	9.4
493.19568	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01866	12.1
55.05502	17.0
57.03447	8.6
57.07086	9.8
61.02919	6.8
67.05511	11.4
69.03427	24.9
69.07072	14.5
71.04981	9.9
79.05495	22.5
81.03407	19.7
81.07060	65.0
83.04986	22.3
83.08578	6.7
85.02906	66.0
87.00842	24.5
91.05475	20.7
92.87122	6.4
93.07060	24.7
95.04970	58.7
95.08621	20.3
97.02906	27.0
97.06561	18.5
98.22549	14.4
99.04474	26.8
105.01867	20.0
105.07033	32.9
107.08571	38.2
109.02876	14.0
109.06527	100.0
109.10177	37.7
110.06915	7.5
113.09604	6.4
117.07034	6.2
119.08554	31.6
121.10143	39.9
123.08066	8.6
123.11731	25.1
127.03925	46.6
131.08569	20.9
133.10124	89.4
134.10490	7.6
135.08070	10.4
135.11685	10.3
139.11195	20.1
143.08578	12.3
145.04988	24.1
145.10158	11.1
147.11652	29.7
149.09636	6.7
149.13223	29.7
151.11205	10.1
153.09123	33.0
158.10951	15.4
159.02878	15.2
165.12770	10.2
167.10701	18.7
173.13286	64.3
191.14328	91.7
209.15414	85.3
227.16434	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	492.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01881	9.7
55.05508	10.1
57.07059	10.0
67.05492	12.0
69.03422	23.4
69.07088	11.2
70.65437	18.4
73.02903	9.1
73.87893	7.8
79.05497	31.1
81.03416	25.5
81.07057	54.6
83.04982	27.1
83.08607	12.3
84.98524	8.5
85.02896	59.3
87.00845	21.9
91.05450	19.5
92.07986	6.8
93.07053	29.5
95.04968	81.2
95.08616	23.9
97.02908	14.7
97.06505	11.8
99.04456	22.4
105.01874	20.7
105.07021	42.4
107.08591	40.7
109.02839	18.4
109.06518	92.7
109.10143	40.4
117.01897	8.8
119.08580	15.8
121.10126	36.0
123.08067	8.9
123.11598	8.8
127.03912	36.3
128.78476	6.8
131.08577	19.5
133.10130	100.0
135.08034	19.6
135.11687	9.2
139.11174	20.9
145.04919	15.1
145.10065	10.8
147.11714	25.1
147.15808	7.4
149.13289	32.4
153.09108	25.9
158.10927	12.0
159.02969	8.6
173.13231	65.4
179.02666	7.4
191.14308	89.1
208.84152	7.7
209.15431	51.4
227.16531	14.2
231.05093	8.3
435.49658	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01870	1.9
55.05518	9.9
57.03427	5.4
57.07067	2.3
59.04999	2.1
61.02958	1.4
67.05500	6.4
68.99789	1.7
69.03434	17.9
69.07059	6.8
70.06593	2.9
71.04990	5.6
71.31097	2.2
73.02917	1.7
79.05504	8.5
81.03436	8.8
81.07051	14.0
83.04987	3.9
83.08624	7.2
85.02910	37.0
85.06547	5.6
86.09703	6.1
87.00835	15.6
91.05486	11.9
93.07030	11.1
95.04972	21.8
95.08616	11.3
97.02890	10.0
97.06543	18.0
99.04472	7.9
99.08070	4.5
103.05475	3.3
105.01877	15.9
105.06376	2.2
105.07036	28.3
107.08597	21.8
109.02856	7.2
109.06523	35.2
109.10158	13.0
111.08091	3.5
113.05992	1.6
115.07587	5.3
117.07035	3.8
119.04975	2.0
119.08598	15.1
120.08108	5.5
121.06531	1.8
121.10150	26.0
122.03666	3.2
123.08071	12.6
123.11717	7.1
125.09634	3.3
127.03933	15.9
127.07553	2.3
129.07002	2.3
129.10240	1.7
131.04939	3.4
131.08578	20.1
133.06534	1.4
133.10135	82.8
135.08080	9.6
135.11707	4.0
137.04968	2.4
137.05986	36.6
137.09630	3.1
139.11162	3.9
143.08455	1.9
143.10643	2.0
145.04947	5.8
145.10165	7.5
147.11694	36.0
149.09607	3.5
149.13258	7.3
151.07559	10.7
151.11198	6.0
153.09097	17.8
158.10944	4.5
159.02898	2.6
159.08214	1.5
161.05975	2.7
163.07550	5.0
163.11185	3.2
163.14833	5.8
165.09123	5.9
165.12750	13.9
166.09552	1.7
167.07077	2.5
171.10236	3.6
173.13272	44.7
175.14854	3.6
187.93665	1.4
189.09181	1.8
191.14317	70.3
192.14697	2.7
209.15378	100.0
210.15747	4.2
221.06107	1.8
225.14827	3.7
227.10638	2.9
227.16426	85.5
228.16661	4.0
231.04991	3.2
255.10242	3.0
267.10248	1.7
285.11179	2.0
287.12729	3.0
313.14160	1.6
319.73917	1.5
439.19342	1.8
492.30457	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01874	2.6
55.05514	10.9
57.03429	2.1
57.07073	1.3
58.66837	1.0
60.02242	1.0
61.02928	2.5
67.05514	1.8
69.03437	10.9
69.07056	1.7
70.06591	4.3
71.03782	1.7
71.04977	3.0
73.02908	2.5
79.05501	3.4
81.03435	6.8
81.07059	3.3
82.48486	1.0
83.04987	5.9
83.08625	8.7
84.08141	1.6
85.02912	25.3
85.06552	2.1
86.09694	1.1
87.00845	10.0
89.03924	3.6
91.05480	3.8
92.33257	1.0
93.07044	5.5
95.04971	3.9
95.08599	3.0
97.02888	10.2
97.06526	2.6
97.10185	1.4
99.04454	4.5
105.01877	12.1
105.07040	3.8
107.08593	10.7
109.02887	9.9
109.06517	3.5
109.10151	4.7
111.08081	2.6
117.03380	17.5
119.08601	3.1
120.08114	2.4
121.10146	15.5
123.08064	1.9
123.11705	4.1
125.09656	3.3
127.03925	16.7
131.04930	1.9
131.08554	2.6
133.10143	5.3
134.03645	1.7
135.08063	1.6
135.11665	2.7
145.02850	42.0
145.04778	5.4
145.10211	1.3
146.03232	1.1
147.04445	1.5
147.11688	2.2
149.05986	5.4
149.09625	1.8
149.13191	1.5
151.11200	13.3
153.09119	1.7
163.03879	1.3
163.14850	4.5
167.07034	1.3
167.14330	13.1
173.13281	4.5
177.05475	100.0
178.05843	3.8
190.28362	1.0
191.14311	10.9
209.15375	75.5
210.15709	2.9
213.03896	2.4
227.16335	3.3
231.04927	3.0
421.39352	1.0
492.25168	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.6
53.03958	7.9
55.01875	12.0
55.05518	14.6
57.03437	7.1
58.59687	2.4
59.05012	2.8
60.84519	2.7
61.02927	4.7
67.05506	18.7
68.99814	2.6
69.03432	26.1
69.07069	21.6
70.06606	3.8
71.04997	19.4
71.30821	4.5
79.05504	29.3
81.03419	17.7
81.07056	45.8
82.07409	3.0
83.05005	10.6
83.08643	7.5
84.08177	3.9
85.02905	46.9
85.06534	13.2
86.06152	2.5
87.00822	17.2
87.04478	2.8
91.05486	17.6
93.07048	38.3
95.04987	21.3
95.08608	23.5
96.08942	2.9
97.02901	23.0
97.06548	11.5
99.04455	30.4
105.01896	11.6
105.07017	28.2
107.04988	5.1
107.08599	82.5
109.02895	19.8
109.06503	12.8
109.10162	14.1
111.08089	6.5
113.09665	5.3
115.03970	2.8
115.05496	3.0
117.07063	6.0
119.08575	21.1
120.08132	8.6
121.06525	10.3
121.10145	45.9
122.06035	3.6
122.10503	4.0
123.04440	3.6
123.08033	13.0
123.11742	8.9
124.07561	3.7
125.09647	8.2
127.03915	31.4
127.07556	4.8
127.11259	4.0
128.06226	3.1
129.01836	4.0
129.07059	2.4
131.08594	13.0
133.10150	35.5
135.08067	6.3
135.11710	15.9
136.07578	24.5
137.06024	9.7
137.09671	4.9
137.13242	3.1
139.07582	4.8
139.11191	6.1
143.08627	6.8
145.04982	9.8
145.06615	2.5
145.10110	17.1
147.11722	13.2
149.09544	5.8
149.13260	20.1
151.07605	8.5
151.11205	5.1
152.07085	3.9
153.01929	3.1
158.10867	3.3
159.02945	7.3
159.11726	7.4
161.13243	15.2
163.11226	10.0
163.14795	26.2
164.07111	21.9
165.09155	3.0
165.12834	7.1
168.90654	2.9
169.10190	2.9
171.02933	2.7
173.09644	6.4
173.13275	25.3
175.14842	2.9
179.14314	58.5
180.14703	3.0
182.08086	2.5
187.11273	6.7
191.10715	4.9
191.14331	48.5
193.12093	2.8
193.15927	3.7
205.12244	5.1
207.13861	3.8
209.08176	4.2
209.11917	7.6
209.15373	100.0
210.15887	4.3
215.10637	3.8
216.83296	2.7
227.16342	14.7
231.05101	9.3
233.11754	7.3
233.15367	3.4
255.11345	12.1
256.11670	5.1
269.13925	4.3
270.36337	3.1
272.06546	3.6
283.10852	3.4
287.05505	22.1
287.13919	2.7
288.05865	33.7
299.16251	6.1
311.14868	3.5
403.17892	2.7
425.14395	10.8
439.15503	4.7
457.16937	4.8
493.16794	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01870	4.0
55.05516	1.5
57.03442	1.5
57.07078	8.6
61.02929	2.1
67.05508	6.6
68.99797	1.6
69.03429	14.0
69.07059	4.2
69.31369	4.6
69.31779	1.6
71.04977	2.0
73.02922	1.5
75.04484	4.8
76.31123	1.0
77.03915	1.1
79.05493	48.4
81.03425	11.4
81.07058	11.0
85.02522	0.8
85.02905	37.5
87.00833	16.9
91.05485	10.2
93.07048	57.0
94.07378	1.8
95.04977	2.4
95.08623	3.3
97.02885	10.4
97.06529	2.5
98.23411	1.7
99.04475	6.1
105.01877	20.5
105.04539	1.1
105.07026	2.3
107.04970	2.6
107.08595	31.3
109.02880	9.1
109.06466	1.0
113.01222	0.9
115.03908	1.1
117.07035	3.0
119.08562	1.7
121.06498	1.8
121.10144	4.7
127.03921	23.2
129.01888	2.3
131.08591	3.1
133.10123	12.2
135.08107	1.9
135.11696	92.1
136.12080	1.9
139.07565	11.0
145.04955	8.0
147.02856	1.1
149.13261	50.9
150.13657	2.1
153.09070	5.8
159.02922	4.1
159.11647	5.2
167.14334	1.1
177.12758	42.2
189.03970	1.3
195.13805	1.4
209.15373	100.0
210.15660	4.8
213.03839	1.4
227.16318	2.3
231.04987	5.4
249.06070	2.6
330.26022	0.9
333.37323	0.9
376.90854	1.0
493.18747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	8.9
57.03449	5.5
57.07081	4.8
62.98249	2.6
67.05515	13.3
69.07066	14.5
79.05479	10.2
81.07065	34.3
83.08611	5.4
85.90750	2.1
91.05495	8.5
93.07039	26.7
95.04977	2.3
95.08611	46.4
97.06577	2.3
97.10182	4.7
105.07037	24.0
107.08599	28.3
109.06552	3.3
109.10169	25.2
119.08585	24.2
121.10148	46.0
123.11718	17.3
131.08536	5.3
133.10120	22.2
135.11690	23.6
136.12038	2.3
137.13286	9.0
139.11235	13.0
143.08575	2.5
144.15294	2.1
145.10133	11.9
147.11679	29.5
149.13251	12.3
151.14752	2.7
157.10196	4.2
159.11691	11.5
161.13280	18.0
163.14894	6.9
167.10606	2.8
169.10072	2.0
171.11722	2.4
173.13297	7.4
175.14795	15.9
177.12849	3.0
177.16414	5.0
183.11667	2.8
185.11739	8.4
185.13194	2.7
187.14912	9.7
189.16414	17.2
191.17949	28.3
199.14932	2.7
201.16412	7.2
203.17984	7.9
207.13657	2.5
213.16425	4.3
215.17995	3.0
217.19522	8.1
219.17412	2.4
229.19554	7.5
231.21136	19.6
253.19420	2.7
257.22778	3.8
339.29138	2.2
397.31134	31.4
415.32080	100.0
416.32556	10.0
429.33401	2.6
433.30643	4.4
457.33392	2.6
461.20477	2.4
493.22855	6.3
493.33231	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	492.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62374	2.0
55.05517	7.9
57.07074	4.1
59.36247	2.2
60.55617	2.3
60.77096	2.1
67.05516	10.1
69.07073	8.5
69.18198	14.5
72.49062	1.9
74.60464	2.2
75.87000	2.0
79.05508	6.1
81.07056	17.8
82.07424	2.3
83.04974	2.2
83.08645	5.0
83.19925	2.2
84.24091	2.2
87.12387	2.4
91.05481	9.7
93.07066	14.4
95.08619	28.2
97.06540	3.8
97.10202	3.8
105.07047	13.2
107.08608	28.3
109.06509	2.4
109.10153	20.7
111.08068	3.6
119.08577	23.6
121.06473	2.7
121.10156	37.2
123.08124	6.0
123.11696	20.0
125.09626	2.3
131.08542	5.1
133.10101	17.1
135.08080	2.7
135.11707	15.9
137.09615	4.8
137.13277	2.6
139.07509	4.0
139.11281	3.7
143.08536	4.6
145.10152	14.8
147.08154	2.5
147.11710	10.3
149.09631	3.4
149.13300	8.8
151.11316	2.5
151.14850	8.9
155.08488	2.4
156.96391	2.8
157.10110	3.2
159.11722	17.8
160.12082	2.4
161.13268	7.0
163.11188	3.5
163.14888	6.7
167.10730	6.3
173.13277	7.8
175.14874	5.0
177.12758	3.9
177.16391	25.0
181.12279	2.5
185.13226	3.9
187.14865	18.6
189.12701	2.5
189.16422	8.3
191.14323	5.4
193.15906	8.4
199.14752	3.2
201.16440	11.4
205.15939	20.7
206.16701	5.4
207.17477	6.3
219.17497	5.0
221.15271	2.9
223.16913	5.6
232.34309	2.6
233.19002	4.0
245.19051	2.7
251.85185	2.5
262.48959	2.6
289.21622	2.3
296.65527	2.2
348.04675	2.7
351.28259	2.2
393.31595	15.5
397.27151	3.1
411.32565	59.9
412.33078	4.3
415.28497	3.4
429.27908	4.9
429.33710	100.0
430.33954	8.9
457.33276	4.4
492.21747	5.1
492.31943	9.3
493.33456	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	492.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
53.25830	1.8
55.05505	8.9
57.07065	7.4
64.97842	2.0
65.03958	4.8
67.05507	16.0
69.04522	11.4
69.04943	7.5
69.07064	21.0
71.08621	4.1
71.22379	1.8
79.05490	19.4
81.07061	23.5
83.08611	4.8
85.06526	2.4
85.25928	2.0
87.02695	3.1
91.05482	100.0
92.05808	3.8
93.07057	13.8
95.04971	4.9
95.08604	38.7
97.06519	6.2
97.10207	2.4
98.12595	2.1
98.48596	2.0
98.98466	7.7
99.04433	3.0
100.02695	2.4
103.05478	12.2
105.07034	70.2
106.06545	2.5
106.07845	4.5
107.08606	26.0
109.06522	3.0
109.10162	17.4
111.08075	5.7
111.11658	2.1
117.94740	2.3
119.08587	31.7
121.10138	22.6
122.10478	2.4
123.08091	5.7
123.11692	11.9
124.93744	2.8
125.09604	2.7
129.06978	2.5
131.08546	2.6
133.06494	43.8
133.10129	19.8
134.07310	26.5
135.08055	78.0
135.11684	20.3
136.08417	2.7
136.12029	2.6
137.04121	2.6
137.13254	6.7
142.57083	2.1
143.08699	4.7
145.10123	6.7
147.07968	2.7
147.11679	14.5
149.09743	3.0
149.13263	7.7
149.73737	2.0
151.07539	19.4
151.11157	3.7
154.96646	2.2
155.01097	3.2
155.08531	2.9
156.96396	3.0
157.10153	4.5
159.11687	9.0
161.09595	2.8
161.13301	7.2
163.14842	4.5
165.03696	50.8
166.04066	2.5
167.05261	5.5
171.11661	2.8
173.13274	6.2
175.14815	6.6
179.05252	13.9
181.10129	6.2
185.13214	2.6
187.11250	3.0
187.14865	4.9
189.16406	32.9
190.16704	2.2
191.14313	2.4
191.17973	3.4
195.11760	2.0
197.15317	2.1
198.12785	59.0
199.13113	3.7
201.16438	2.9
203.14513	2.1
203.17960	2.5
205.15903	2.9
207.14008	5.1
207.17461	39.1
208.17781	2.3
215.17851	2.5
217.91994	2.8
243.21014	3.8
249.18391	3.0
277.16190	25.5
277.18887	2.9
278.16586	3.2
291.23157	9.1
295.17273	92.7
296.17685	5.7
335.25916	5.6
338.27753	7.3
397.30954	3.4
401.99207	1.9
411.36563	4.9
429.37338	58.5
430.37646	5.9
433.31311	2.3
439.36243	3.0
457.36786	7.0
475.37930	4.4
492.21704	7.7
492.31506	12.2
493.22418	2.1
493.33524	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.8
57.07075	1.1
67.05500	3.3
69.03442	2.3
69.07063	3.6
71.04992	1.7
74.24186	1.3
74.54969	1.0
79.05486	2.1
81.03380	1.2
81.07043	5.6
83.04992	1.4
83.08627	2.3
85.02926	2.8
91.05500	3.0
93.07052	4.6
95.04982	1.8
95.08619	4.8
97.06546	1.3
98.22556	2.4
99.08104	1.2
105.07054	3.7
107.05006	1.4
107.08605	4.6
109.02909	1.7
109.06474	1.4
109.10158	4.3
111.08131	1.8
119.08608	4.0
121.10135	3.5
123.04444	1.3
123.11723	1.9
127.03929	1.7
131.08633	1.9
133.10149	2.0
135.11726	1.5
137.05956	9.0
137.09676	1.4
143.08589	1.3
145.10097	1.8
147.11726	1.4
149.13309	2.0
150.03021	1.2
153.01849	3.4
164.07173	2.0
165.09103	4.1
203.03568	2.6
229.05023	1.7
242.05641	5.7
255.10393	1.1
257.04465	15.0
258.05103	2.1
258.58173	1.3
269.04800	1.7
271.06024	3.7
285.03940	3.0
286.04791	3.4
289.06143	1.5
297.03946	2.9
305.08282	2.0
334.08340	1.8
361.07059	3.8
373.07108	4.8
386.65405	1.4
389.06583	6.2
390.07449	6.4
391.08521	1.4
418.06937	12.2
419.07782	3.9
433.09238	3.3
440.53473	1.3
446.06360	7.6
449.12030	8.7
461.08713	15.6
463.29288	1.3
492.32498	1.5
493.11240	100.0
493.19437	4.5
494.11566	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	493.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09321	0.4
55.05510	0.6
66.04728	0.5
67.05505	1.3
69.03427	0.5
69.68933	0.5
69.76080	0.6
69.76365	2.2
69.83154	0.4
74.65411	0.4
79.05494	0.9
80.18274	0.5
81.07064	1.3
85.06565	0.5
91.05496	1.2
93.07045	1.1
94.04242	0.7
95.04975	0.7
95.08605	1.5
105.07050	1.4
107.08598	1.4
109.06537	0.8
109.10162	1.4
111.08119	0.6
119.08595	1.3
121.02821	0.5
121.06497	0.5
121.10176	1.6
123.04445	1.8
123.11684	0.8
131.08591	1.1
133.10152	1.2
134.03624	1.0
137.02348	0.5
137.06000	1.8
137.09656	0.5
143.08519	0.6
145.02850	0.7
145.10146	0.5
147.11731	0.7
150.03101	0.9
153.01842	4.3
157.10136	0.5
159.11760	0.5
162.03210	0.4
163.03897	1.7
164.04741	0.7
165.09122	0.8
167.07062	0.8
173.13286	0.5
177.05457	0.6
187.14795	0.6
190.30124	0.5
201.12672	0.6
203.03394	8.9
229.04971	6.3
241.05069	1.4
242.05772	9.1
253.05019	0.7
257.04462	56.7
258.05060	4.1
269.04523	1.9
270.05292	3.8
271.06046	5.4
285.04016	5.5
286.04703	5.1
287.05496	0.8
297.03986	4.6
305.08194	1.3
308.06702	0.9
309.07523	0.7
310.04803	0.7
311.05478	0.6
315.04956	1.0
333.07556	1.0
334.08313	1.9
335.08884	0.5
344.06757	0.8
345.07486	3.2
346.08365	0.5
355.04587	1.8
361.07059	4.3
362.07944	1.1
372.06284	0.6
373.07065	8.6
374.07828	1.0
389.06464	6.4
390.07309	2.2
391.08218	0.8
401.06775	1.7
402.07370	0.7
417.06021	0.9
418.06900	5.2
419.07672	5.9
433.09171	1.4
446.06348	10.4
447.07132	0.6
461.08698	13.4
462.08951	0.9
493.11322	100.0
494.11618	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	493.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05505	0.5
55.13662	0.4
67.05497	0.8
68.99799	0.4
69.90472	1.6
70.05848	0.3
70.06594	0.4
79.05484	0.7
79.07317	0.3
81.03438	0.4
81.07059	1.2
91.05469	1.1
93.07021	1.0
95.05005	0.5
95.08595	1.0
97.71748	0.4
105.06998	0.6
106.04153	0.4
107.04932	0.6
107.08586	1.1
109.10136	0.6
119.04931	0.8
119.08585	1.0
121.06516	0.4
121.10144	0.6
123.04436	1.1
123.08066	0.3
123.11715	0.4
125.09594	0.4
133.10162	0.4
134.03616	0.6
135.04376	0.4
137.05989	3.2
143.08684	0.4
145.02888	0.6
147.04387	0.4
149.02289	0.3
149.05980	0.5
150.03133	1.6
151.07562	0.4
152.04684	0.5
153.01828	7.9
154.02611	0.6
159.11697	0.4
162.03143	1.0
163.03929	1.8
164.04706	1.2
167.06992	1.7
175.03772	0.5
177.05458	0.7
203.03384	3.9
211.05763	0.7
213.05423	0.8
229.04912	3.9
241.04926	1.1
242.05727	10.6
243.06078	0.8
252.67625	0.4
253.04948	0.4
257.04443	26.3
258.05121	4.8
266.05756	1.7
269.04495	2.3
270.05185	3.4
271.06009	6.9
272.06161	0.4
281.08060	0.4
285.03876	4.2
286.04730	4.9
287.05283	0.7
297.03909	4.0
298.04276	0.4
305.08145	1.2
306.08704	0.5
308.06677	1.6
309.07635	0.8
310.04718	0.7
311.05573	0.6
315.04807	0.6
316.07498	0.4
333.07605	1.0
334.08264	2.1
335.08868	0.6
344.06711	1.0
345.07611	3.4
355.04514	0.9
361.07056	6.1
362.07681	1.7
363.08658	0.7
373.07040	10.3
374.07681	1.3
389.06528	9.1
389.11462	0.5
390.07297	8.9
391.07965	1.9
401.06622	2.3
402.07199	0.8
405.09555	0.5
417.05835	1.9
418.06827	18.7
419.07544	7.3
433.09146	6.8
446.06335	14.7
447.06641	1.1
449.21890	0.4
458.52408	0.3
461.08679	23.7
462.08725	1.7
493.11285	100.0
494.11545	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	493.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
67.05489	1.0
69.03412	0.8
69.07037	1.7
79.05473	0.9
81.07034	2.5
83.04949	0.6
83.08614	0.8
91.05456	1.8
93.07027	1.2
94.05312	0.5
95.08570	2.5
105.07011	1.3
107.08578	1.7
109.10140	1.8
119.08558	1.1
121.10111	1.0
123.11701	1.0
127.04000	0.6
135.11684	1.0
137.05960	0.6
145.10091	0.7
159.11752	0.7
167.03163	1.0
171.00545	4.2
227.05260	1.4
231.18279	0.6
231.20775	0.7
245.07854	100.0
246.08128	4.6
263.08942	0.8
271.04230	19.6
286.10486	0.7
449.14273	6.4
450.14706	0.7
493.13153	23.2
493.19983	1.5
494.13699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1684
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
69.87678	1.7
71.04994	0.5
73.52580	0.4
79.05496	0.8
81.07017	0.5
83.04974	0.7
85.66399	0.4
91.05481	1.3
93.07052	1.0
94.04208	0.6
94.40063	0.5
95.08627	0.7
103.05443	0.6
105.07047	0.9
107.08617	0.7
111.04474	0.6
121.10218	0.6
122.03633	1.4
131.04935	1.0
137.05977	11.2
142.73549	0.5
147.04425	0.5
149.05977	0.8
151.07524	3.0
161.06009	0.5
163.07533	1.5
165.07011	0.7
165.09135	1.2
167.07130	0.7
167.08650	0.8
175.07610	0.6
176.35835	0.4
179.27992	0.5
189.09157	0.5
195.08028	0.6
221.06094	0.5
227.10770	0.8
246.05074	2.0
247.05766	9.8
255.10117	0.7
267.10083	0.5
269.09967	3.7
273.12704	0.5
285.10977	0.7
287.12772	1.8
297.44586	0.6
331.13837	0.6
493.16791	100.0
494.17163	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	493.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.16401	0.3
55.01867	0.6
56.13338	0.4
65.03946	0.9
66.04720	1.0
67.89713	0.3
69.03409	0.4
71.03734	0.4
71.57518	0.3
77.03972	0.5
79.05494	2.0
81.03431	0.6
81.07053	0.8
85.02907	0.7
86.54357	0.4
91.05481	8.5
94.04190	5.8
95.04964	1.6
103.05466	5.9
105.07038	2.7
107.04973	1.7
109.06528	1.7
111.04456	0.3
115.05454	1.2
117.07006	1.3
119.04956	4.4
119.08498	0.3
121.06512	2.3
122.03646	13.1
123.04470	0.8
128.06223	1.1
129.07042	2.0
131.04932	7.7
133.06508	2.2
135.04375	0.4
135.08029	2.0
136.05171	1.0
137.05975	100.0
138.06308	2.4
141.07013	0.8
143.04933	0.6
143.08582	0.5
145.06499	1.5
146.03606	0.7
147.04468	0.3
149.05986	3.7
151.07541	22.6
152.06223	1.2
152.07903	0.6
153.05490	0.3
153.06952	1.0
157.06480	1.7
159.08037	1.2
160.05209	0.8
161.05998	4.1
163.07535	14.7
164.07835	0.6
165.06996	3.4
165.09109	1.6
166.07744	1.1
167.07098	0.9
167.08537	4.4
169.06468	0.9
174.06772	1.3
175.07529	3.2
177.07039	0.5
177.09123	1.4
178.07675	0.7
179.08646	0.6
181.06468	1.4
182.07344	1.2
183.08170	0.5
187.07559	1.7
189.07420	0.6
189.09091	4.1
191.08484	0.8
193.06548	1.9
194.07249	1.2
195.08052	6.1
196.08769	1.5
197.06000	1.3
199.07574	0.8
201.09114	1.2
202.07866	0.5
203.08553	0.6
203.10635	0.7
207.08023	0.5
209.05981	0.7
209.09502	0.9
210.06796	1.9
211.07526	0.5
212.08330	1.0
213.09032	0.7
218.07216	0.5
219.08031	1.0
221.05994	3.2
223.07600	1.9
224.08348	1.8
225.09010	2.3
227.07104	1.0
227.10670	7.2
233.09552	0.6
235.07477	0.7
237.09082	1.0
238.06232	1.5
239.10541	0.7
240.07808	0.8
241.08595	0.7
247.07526	0.7
249.09152	1.0
249.83757	0.5
251.10666	1.2
252.07787	0.5
253.08629	3.5
255.06561	0.4
255.07158	0.5
255.10144	8.0
261.09283	0.4
267.10190	2.2
269.11777	0.6
279.10153	0.9
281.11710	0.8
285.11221	5.7
286.11417	0.6
287.12775	14.0
288.13116	0.9
293.11862	0.8
305.11694	0.7
307.09915	0.5
307.13336	0.8
311.12778	0.6
313.14383	2.8
319.13177	1.2
321.11346	0.5
325.14246	1.2
337.14273	1.4
338.15067	0.5
351.15952	5.1
415.19119	3.1
416.19321	0.4
443.18457	1.4
475.21359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.2
55.17574	0.9
57.07080	8.6
62.98260	6.1
67.05498	3.7
69.07073	2.7
69.16395	1.8
69.16801	5.7
71.08625	5.7
79.05511	1.2
80.47579	0.8
81.07055	4.2
83.08607	2.7
84.58334	0.9
85.10195	2.8
91.05515	1.0
91.07488	0.9
95.08611	6.2
97.10190	2.1
97.51284	0.9
107.08583	2.4
109.10158	3.1
123.11739	1.5
124.93768	36.8
142.94742	1.2
145.10176	1.4
156.95090	2.5
156.96385	47.5
162.06607	1.2
212.98924	5.6
213.22192	1.0
239.23708	8.5
246.71680	1.1
313.27338	14.8
314.27856	1.4
325.21326	1.8
337.27460	3.4
412.32794	2.0
461.20422	11.1
493.22998	100.0
493.32977	8.3
494.23380	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	493.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02752	1.3
55.05513	7.6
57.03451	3.7
57.07080	52.3
67.05502	19.0
69.07074	12.6
69.71672	7.4
71.08639	37.9
74.19923	1.6
75.04493	3.8
79.05499	1.6
81.07069	26.2
83.08622	13.6
85.02916	2.6
85.10184	21.9
86.72247	1.5
87.54235	1.4
89.06058	2.8
91.89661	1.4
93.07063	4.0
95.08612	33.1
97.02908	2.9
97.10186	8.5
99.11736	2.0
105.07043	3.2
107.08594	4.4
109.10149	17.3
111.08096	1.5
111.11745	3.5
115.78268	1.6
119.08590	2.9
121.10132	4.9
121.31467	1.6
123.11685	9.5
125.13254	2.8
131.08630	2.3
137.13234	3.1
139.79659	1.4
145.10149	1.5
147.11653	2.1
149.05751	1.7
149.13332	1.5
159.11745	2.5
161.13304	3.0
163.14929	1.7
188.39890	1.4
221.22557	1.7
239.23705	40.9
240.23978	1.8
257.24759	4.7
313.27402	100.0
314.27707	6.9
331.28717	1.7
375.81317	1.8
470.98758	1.5
475.32379	2.2
493.32721	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	493.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34922	3.9
51.83451	3.3
53.03939	3.9
53.81796	3.4
55.05515	36.5
57.07085	54.2
67.05509	25.5
67.52374	3.2
69.03429	4.1
69.07076	77.3
71.08633	40.2
79.05508	31.0
81.07063	100.0
83.04971	8.9
83.08618	66.4
85.06550	6.1
85.10175	22.3
91.05482	14.2
93.03417	7.2
93.07053	92.5
95.04945	6.3
95.08613	63.6
97.06522	5.1
97.10171	34.8
98.23462	6.4
99.08102	4.9
105.07063	8.8
107.08601	61.2
109.06528	10.3
109.10179	42.1
111.08107	12.4
111.11730	23.7
115.07592	11.5
119.08598	9.0
121.06509	11.4
121.10159	36.6
123.11738	15.6
125.06010	6.9
125.09686	6.5
125.13281	5.3
127.07557	29.5
135.08118	4.5
135.11707	44.2
137.13272	9.5
139.07623	6.5
139.11246	4.1
139.14833	4.4
141.09123	5.4
143.07080	26.9
145.10063	7.9
149.13261	45.3
151.14799	7.6
153.09108	11.6
163.14809	40.7
165.16385	4.4
167.14363	3.9
173.13246	4.4
175.14877	7.7
177.12788	7.8
177.16339	18.9
181.12318	5.8
181.15839	5.0
187.14903	4.8
189.16406	4.5
191.14279	5.8
191.17813	5.1
195.13707	5.8
205.15977	6.0
205.19556	8.8
219.21057	10.3
223.16806	5.3
229.43747	4.0
233.22688	4.6
289.28934	66.7
290.29407	6.7
299.27356	12.9
307.29953	63.5
308.30377	7.8
317.28378	51.3
349.31006	33.9
493.34537	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	494.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13653	1.0
53.03969	1.2
55.01879	2.0
65.03939	2.4
67.05524	1.3
69.03427	2.6
69.07079	1.2
71.31050	1.2
72.71563	1.0
80.71815	1.1
81.03427	3.5
81.07083	1.4
85.02909	7.3
87.00823	2.9
91.05487	100.0
92.05819	3.3
95.08623	1.1
97.02878	5.0
103.24037	1.0
105.01889	2.3
107.08602	1.2
109.02866	2.9
121.10126	1.0
127.03932	7.0
133.10204	0.9
143.08589	1.1
144.15863	1.1
145.04965	3.1
151.07574	1.0
159.02856	2.0
165.09138	3.1
176.46185	1.0
192.67941	1.2
211.07535	1.4
257.04633	1.3
258.05048	1.2
259.14951	1.0
451.22821	1.2
494.11685	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	494.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01875	3.2
55.05525	1.1
56.05045	1.1
57.03440	6.3
60.04512	1.3
61.02927	8.1
69.03433	16.1
70.06261	1.3
70.06606	6.5
71.04984	2.3
72.08159	2.7
73.02929	3.5
74.06074	2.8
81.03419	6.7
81.07057	1.3
84.04545	1.6
84.08157	2.1
85.02909	100.0
86.03265	1.5
86.09713	4.2
87.04504	2.7
91.03977	5.1
97.02895	24.6
99.04459	4.9
109.02882	10.0
109.06578	1.5
119.04966	1.4
120.08129	3.6
121.02866	29.3
127.03924	23.1
135.08090	1.1
136.07593	2.0
137.06030	1.3
145.04961	41.4
147.04411	2.2
153.05464	27.1
163.05998	14.1
163.07381	1.6
168.55582	1.1
170.11789	2.7
213.12302	1.4
494.16495	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	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63314	1.0
53.03951	1.6
55.01870	1.8
56.05041	1.2
57.03437	5.3
61.02931	9.6
69.03432	17.2
69.77847	2.1
69.78237	3.2
70.06590	3.2
71.05013	1.9
72.08163	1.8
73.02916	3.4
73.13339	1.0
81.03423	6.7
83.04981	1.5
85.02905	100.0
86.03253	1.3
86.09709	3.0
87.04471	1.6
89.87283	1.2
91.03961	3.7
91.05473	2.0
97.02893	24.9
99.04469	4.8
109.02878	7.9
115.03916	1.3
119.04980	2.0
120.08084	1.8
121.02868	24.7
127.03918	25.9
136.07593	1.8
145.04964	45.5
147.04414	2.0
153.05470	27.9
163.06020	17.3
175.03889	2.0
191.51527	1.1
207.06554	4.4
212.91879	1.2
273.66138	1.0
315.13489	1.2
479.71609	1.2
494.16599	1.7
494.23602	1.2
495.19550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61468	1.1
53.03942	2.7
55.01864	2.5
55.05512	1.4
57.03446	1.4
57.07076	2.5
64.38086	1.3
67.05506	26.4
69.03436	7.6
69.07079	3.4
71.04988	2.6
71.19920	2.6
73.02924	1.5
79.05506	3.7
81.03413	6.6
81.07060	37.0
83.04980	2.1
85.02917	17.3
87.00846	9.1
91.05473	3.3
93.07039	4.2
95.08610	34.9
97.02895	7.0
97.10249	1.2
99.04440	1.7
99.76288	1.4
105.01857	7.7
105.07034	1.9
107.08591	1.6
109.02877	4.3
109.10152	4.4
110.10398	1.2
119.08585	3.7
121.10183	1.3
127.03929	8.8
133.10118	2.2
135.11694	6.6
137.09683	1.2
137.13260	69.7
138.13573	1.6
145.04971	3.4
151.14803	6.1
159.02890	1.9
161.13277	5.2
165.34825	1.2
179.14305	24.1
186.62996	1.3
193.13840	1.5
197.15363	1.2
211.16939	100.0
212.17323	4.8
229.18005	3.2
231.05049	1.7
297.06580	1.3
333.20352	3.9
494.24091	1.8
495.15802	8.1
495.25699	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01868	2.1
55.05509	5.6
57.03438	2.7
57.07084	2.0
57.49860	0.8
61.02934	1.2
67.05504	10.8
68.99788	1.1
69.03438	9.0
69.07064	5.2
69.52494	4.2
69.58382	0.8
71.04996	3.5
73.02928	1.2
79.05499	2.4
81.03426	9.4
81.07063	19.3
83.04983	0.9
83.08616	3.2
85.02911	31.9
87.00832	8.6
88.06256	0.9
91.05493	2.1
93.07042	2.4
95.08613	73.2
96.08938	1.6
97.02893	10.0
97.10173	3.8
99.04461	4.0
105.01880	7.3
105.07042	2.0
107.08620	3.3
109.02892	11.2
109.10162	37.2
109.10916	1.9
110.10486	1.3
113.05997	1.8
117.01805	1.6
119.08578	2.2
121.10148	3.1
123.08142	1.3
123.11720	8.5
127.03918	15.1
127.07572	1.1
133.10117	2.0
137.09595	2.5
141.09116	1.7
145.04984	3.6
147.11707	1.6
149.13219	2.3
151.14828	2.3
153.01895	0.9
159.02893	2.5
165.16405	100.0
166.16779	3.5
175.14848	4.9
185.15405	3.1
193.15894	22.9
193.17574	1.5
194.16223	1.3
211.16939	45.3
212.17274	2.6
213.04008	3.2
214.48158	0.9
229.17976	8.0
230.57364	1.0
231.05029	3.5
232.84683	0.9
329.13596	1.0
342.82059	0.9
411.41577	1.0
441.21182	1.9
495.21405	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.4
56.05038	1.9
56.32975	0.7
58.06593	1.5
60.08163	17.1
67.05508	2.0
69.07059	2.0
69.87060	3.3
71.07368	6.5
79.05506	1.0
81.07040	1.7
82.17993	0.8
83.08624	1.4
86.09708	51.4
93.07038	1.8
95.08614	2.1
97.10207	0.9
97.26871	0.8
98.23326	1.0
98.98448	4.2
104.10744	100.0
105.11069	1.2
125.00008	30.3
184.07343	92.2
185.07797	1.0
193.04912	1.1
258.11084	1.3
311.25745	1.1
452.73203	0.8
476.31268	7.3
494.32410	20.6
495.34595	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	494.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16461	0.9
55.05509	1.6
56.22619	1.0
57.07081	6.3
58.06592	1.5
65.03944	2.4
67.05510	2.0
68.40675	0.9
69.07074	1.9
69.17574	1.1
69.31063	6.9
70.06596	16.6
71.08627	2.7
73.11374	1.1
79.05503	2.1
81.07045	3.4
85.10191	1.9
88.07631	18.5
91.05482	2.1
93.07048	3.2
95.04954	1.3
95.08612	5.5
96.41209	0.9
99.04432	1.3
102.09187	15.8
105.07036	3.4
105.87695	0.9
106.07390	1.4
107.08598	4.4
109.10168	3.4
119.08634	4.5
121.10139	3.7
121.60253	1.0
121.97330	1.0
123.11734	1.4
131.08603	2.2
133.10147	3.9
135.11717	3.0
145.10152	3.0
147.11754	1.1
149.02345	50.4
149.03409	3.4
152.86082	1.0
154.90231	1.2
159.11720	2.4
163.60872	1.0
171.11711	1.2
179.06897	1.0
189.16414	2.0
193.04971	52.9
194.05351	2.2
201.16508	1.2
210.18655	1.1
237.07584	61.3
238.07924	2.1
253.07101	1.1
284.29468	43.5
285.29855	2.8
288.94690	1.0
318.09232	1.0
328.32294	1.2
417.30234	1.3
483.33987	1.0
494.34766	100.0
495.29678	3.3
495.35001	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	494.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17946	1.9
54.29448	1.7
55.05500	5.6
56.36356	1.9
57.07075	3.3
67.05516	10.4
69.07063	11.1
69.11217	14.7
69.41747	1.8
70.06621	1.9
79.05474	6.4
81.07055	15.1
83.08617	6.3
88.07590	1.9
91.05460	8.8
93.07037	16.2
95.08606	27.1
97.10174	2.0
98.23299	3.0
105.07018	12.1
107.08595	24.9
109.06526	2.4
109.10163	19.0
117.07028	2.2
119.08578	20.2
121.06489	1.8
121.10146	34.8
122.10435	2.3
123.08132	2.0
123.11709	15.0
123.82428	1.8
126.75214	2.0
131.08600	5.0
133.10135	15.5
135.08081	2.4
135.11705	15.3
137.13242	2.7
139.11148	2.9
141.82822	1.6
143.08607	3.5
145.10109	7.3
147.11688	10.7
149.02278	4.1
149.09642	3.7
149.13235	8.7
151.11232	1.9
151.14793	5.0
153.09114	2.2
157.10086	2.7
159.11662	5.4
161.13313	10.2
163.14822	7.1
167.10677	8.3
169.10138	2.8
171.11659	3.6
173.09552	2.4
173.13330	3.3
175.14792	4.8
177.16409	15.2
177.27911	1.7
183.11751	3.2
184.07257	4.5
187.14841	3.4
189.16362	22.4
191.17914	22.8
193.04973	5.0
201.16351	8.7
203.17989	21.8
215.14330	2.3
223.16919	5.4
224.18211	1.8
237.07561	4.3
251.17920	2.5
413.34180	100.0
414.34381	7.2
435.28687	3.0
494.28470	4.9
494.33798	12.3
495.29968	7.6
495.34482	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	495.1287
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
71.31358	0.7
86.83154	0.6
88.40733	0.7
91.05483	2.0
102.04630	0.8
103.05478	2.8
105.07014	1.2
112.07595	0.7
115.05479	0.6
118.04169	2.8
119.04899	0.8
121.06527	1.1
130.04112	0.9
131.04868	3.9
132.05714	2.4
133.02852	1.4
135.04433	1.4
140.04686	2.5
146.03658	2.8
147.04433	1.4
149.05972	0.8
153.01819	7.0
153.05502	0.7
160.05223	1.0
161.06026	1.4
163.03868	0.9
163.07474	0.9
165.05336	0.8
167.07027	2.3
176.04691	2.4
177.05475	2.9
178.06267	3.2
186.85162	0.7
189.83659	0.6
191.07050	4.7
192.07838	2.1
203.03416	5.8
213.05479	0.9
229.04973	6.6
241.05006	2.2
242.05724	11.5
253.05063	1.8
257.04443	63.4
258.05188	16.8
269.04535	1.6
270.05200	1.9
271.05914	1.8
285.03928	8.9
286.04684	33.2
287.05447	22.0
288.05774	1.3
291.15683	0.8
297.03864	4.4
299.05545	1.2
300.06366	1.3
327.05084	2.0
333.20300	0.9
341.06656	2.5
343.09821	0.8
373.07166	1.0
380.56241	0.7
391.08102	0.9
403.88095	0.8
419.07602	1.4
433.09293	1.1
447.07095	1.3
451.22781	0.8
452.70688	0.8
461.08688	1.0
462.09402	0.8
465.11917	3.5
477.11771	17.1
478.12427	1.5
495.12827	100.0
495.24969	3.4
496.13373	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	495.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57351	0.5
55.05506	0.5
67.05527	0.5
69.11190	4.1
78.04725	0.6
79.05503	1.2
81.07077	1.0
82.22618	0.5
83.04984	0.8
85.02899	0.5
86.83142	0.4
89.03954	0.5
91.05492	1.9
93.07040	0.8
95.04970	1.0
95.08612	1.1
99.08095	0.5
103.05475	4.1
105.03432	0.8
105.06992	1.0
107.04971	0.6
107.08594	0.8
109.10192	0.7
113.98193	0.4
115.05366	0.5
117.03453	0.5
117.07010	0.8
118.04173	2.7
119.04929	0.8
119.08523	0.8
121.06487	1.7
121.10152	0.8
123.04401	0.9
125.02377	0.8
127.04008	0.5
130.04167	1.4
131.04927	6.1
132.05740	2.8
133.02870	0.6
133.06531	0.7
135.04422	1.3
139.07559	0.5
140.04688	2.7
146.03615	3.7
147.04425	1.3
148.05197	1.3
149.06000	1.3
153.01817	8.5
153.05502	0.6
154.06296	0.6
155.07018	0.6
159.08133	0.5
160.05241	1.6
161.02357	0.6
161.06004	1.8
162.03140	0.9
163.03937	1.2
166.06242	0.8
167.07060	1.8
169.10246	0.6
171.02992	0.5
173.05940	0.6
176.04701	2.7
177.05492	3.2
178.06236	4.6
179.06975	0.5
191.07042	4.6
192.07867	2.2
203.03412	7.8
212.06200	0.5
213.05505	0.9
229.04958	6.9
230.05351	0.6
241.04924	1.3
242.05757	14.6
243.06079	0.7
253.04977	2.3
257.04446	57.4
258.05206	21.7
259.05759	0.7
269.04459	1.9
270.05209	2.0
271.06015	2.5
272.06912	0.7
285.03937	7.8
286.04703	33.6
287.05450	21.3
288.05908	1.1
297.03940	5.8
298.04581	0.5
299.05627	2.2
300.06241	1.5
323.05542	0.5
327.04996	3.3
333.20340	11.4
341.06580	3.0
343.10052	0.6
351.07733	0.5
359.09232	0.5
373.06976	0.8
387.08591	0.6
391.08041	0.6
415.08115	1.0
416.08960	0.6
419.07840	0.8
445.09180	0.7
447.06995	1.9
451.23099	0.8
461.09100	0.7
462.09634	0.9
465.11758	4.0
477.11813	20.5
478.12146	1.7
495.12845	100.0
495.24844	16.9
496.13278	7.5
496.25928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.05515	90.3
56.05846	1.3
67.05501	2.9
69.07072	1.8
69.67177	1.4
69.67531	3.2
71.08606	0.7
75.04511	1.3
79.05479	2.3
81.07077	4.0
83.04986	100.0
84.05306	0.9
86.09716	2.5
91.05478	2.9
93.07039	3.5
95.05014	1.2
95.08620	3.4
98.22749	1.1
104.10741	3.2
105.07027	3.9
107.08596	4.3
109.10164	3.0
111.08100	1.0
117.06983	1.1
119.08592	3.2
121.06532	1.1
121.10141	4.1
123.08098	1.0
123.11670	2.2
125.00026	1.1
131.08600	1.1
133.10133	2.4
135.11725	2.2
139.07574	1.2
143.08554	0.9
145.10100	2.1
147.11710	1.8
153.05511	1.2
155.08530	1.0
157.10146	1.2
159.11694	2.0
161.13280	1.9
169.10208	0.9
173.09579	0.9
173.13232	1.4
175.14836	1.2
177.12752	1.1
179.08546	0.9
183.11694	0.9
184.07346	5.0
185.13164	1.0
187.11205	1.0
189.07037	1.0
189.16388	1.0
195.06511	5.6
197.09569	0.9
198.03084	2.1
199.14690	1.0
201.09256	0.8
201.16202	1.0
202.88438	0.8
205.06509	1.4
213.05519	1.2
215.06972	1.1
221.06042	1.1
227.07028	1.5
233.05975	1.5
234.06786	0.8
235.07544	1.9
243.06628	1.0
249.05490	2.1
249.08984	1.4
251.07001	1.9
253.19336	0.9
254.02275	0.9
255.02725	0.9
255.06589	1.1
262.06131	1.3
263.07059	4.2
264.07773	1.3
265.05057	1.2
265.08463	0.9
266.05737	1.0
266.09332	0.9
267.02994	0.9
267.06497	1.7
268.03873	1.1
269.04486	11.9
273.05463	1.1
274.06024	0.8
275.06982	1.8
276.07755	1.3
277.04941	2.5
277.08606	3.9
278.05933	0.9
279.06555	3.8
279.10278	0.7
280.03668	0.9
281.04437	1.7
281.07867	1.8
283.06082	1.1
290.05661	1.2
291.06641	4.2
292.07245	2.9
293.04504	0.9
293.08047	3.2
294.08630	0.8
295.05978	2.6
295.51608	0.8
297.03906	4.6
303.06363	4.2
304.07053	1.0
305.04681	1.4
305.08017	4.9
306.05362	1.0
306.08862	1.8
307.06238	1.4
307.09573	4.2
308.10403	1.2
309.07712	2.4
309.11169	1.8
310.08331	5.7
311.05472	3.0
311.08865	1.4
312.06326	10.4
313.06879	3.3
317.08133	1.9
319.05948	2.6
320.06729	3.0
320.10260	1.3
321.07492	5.1
323.05646	1.0
324.06241	1.4
325.07089	3.2
331.06082	2.0
333.07468	3.9
334.08243	1.9
335.05502	1.3
335.09070	7.0
336.09885	5.5
337.07001	2.3
337.10648	3.0
339.08701	1.8
339.12451	2.3
341.10199	9.0
345.07693	1.4
347.05478	1.7
348.06140	1.0
349.07025	1.4
349.10867	1.2
351.08884	1.1
352.09366	2.6
353.10394	0.9
362.07822	1.6
363.08746	4.8
364.09302	1.9
365.10345	4.8
367.11768	16.5
368.12030	1.0
377.10220	10.2
380.08969	1.3
395.11267	17.9
413.12238	1.0
435.28519	1.5
477.30029	1.0
492.98892	0.9
494.33234	1.7
495.16678	4.1
495.29483	5.5
495.34122	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	495.1839
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
51.94414	0.3
67.05490	0.3
69.16669	2.7
70.06590	0.6
70.31775	0.3
81.07063	0.4
85.02896	0.9
86.09702	0.6
91.05498	0.8
93.07060	0.5
95.04964	0.3
97.02868	0.5
105.07043	0.9
119.08573	0.5
120.08080	0.4
121.06548	0.4
122.06023	0.4
127.03899	0.4
129.90678	0.3
136.07588	1.2
137.05992	0.4
145.10168	0.5
147.11664	0.6
151.03934	0.4
164.07159	1.6
164.08299	0.4
168.83319	0.4
227.05229	0.6
229.11990	4.6
245.06429	0.7
246.12280	0.3
247.13048	6.6
248.13345	0.4
263.99222	0.3
275.12543	3.9
282.61694	0.3
289.05286	3.6
289.14133	0.4
338.08722	0.4
340.48566	0.3
353.06912	0.3
391.17380	2.7
409.18347	14.4
410.18878	0.5
433.18417	1.9
451.19400	36.6
452.19968	2.8
477.17160	1.6
495.18387	100.0
496.18719	7.3
508.31909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
54.85014	1.2
55.01865	5.0
55.05505	3.7
55.55067	1.0
57.03439	7.4
57.07071	10.0
59.05009	5.4
61.02937	11.0
63.48997	1.0
67.05503	10.0
69.03079	1.9
69.03432	28.3
69.07077	8.4
69.94582	1.1
70.06590	3.6
71.04999	6.1
72.08151	1.5
73.02931	5.8
77.81926	1.0
79.05490	2.2
81.03420	12.8
81.07047	5.4
83.04979	2.8
83.08620	4.3
84.08176	1.1
85.02908	100.0
85.06531	8.1
86.09696	4.7
87.00903	1.1
87.04469	4.0
91.03959	3.6
91.05477	3.1
93.07042	4.4
95.04973	5.5
95.08610	51.1
97.02894	33.8
97.06548	3.3
99.04443	3.4
99.08094	8.8
105.07050	1.3
107.08591	6.0
107.56015	1.0
109.02896	8.7
109.06496	14.5
109.10163	11.0
111.08083	4.6
113.09648	55.1
115.03915	1.9
120.08102	4.6
125.02367	1.4
127.03922	20.6
127.04800	2.1
127.11199	18.4
133.04964	5.2
135.04271	1.2
135.11688	8.6
136.07555	2.0
137.06021	2.7
137.09552	1.5
137.13249	4.0
145.04965	23.9
151.03928	1.9
151.11270	1.7
153.12752	46.9
155.14328	11.3
159.11743	1.8
163.06053	5.2
167.08800	1.0
171.13812	33.5
177.05516	1.3
177.12755	3.1
179.05498	5.2
179.06903	1.1
187.14734	1.2
195.13847	3.4
213.12354	2.9
213.14854	8.9
229.40834	1.1
233.15366	1.1
279.15942	2.3
297.16998	2.9
303.05093	2.3
333.14728	1.1
403.51852	1.2
407.63745	1.1
495.28461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.347
Annotation	Auricularine
Peak:m/z	Relative Intensity
53.03935	1.0
55.05512	2.2
67.05504	3.7
69.03427	0.7
69.07081	3.5
71.04966	0.6
79.05502	3.0
81.07056	8.8
83.08620	1.5
85.06554	0.6
91.05515	3.0
93.07051	5.9
95.04973	1.7
95.08610	13.1
97.06502	2.6
97.10175	0.7
98.23453	1.1
105.06374	0.8
105.07034	9.9
107.08603	12.1
109.06523	1.6
109.10157	7.1
111.08092	1.6
117.07025	1.5
119.08586	16.0
120.34930	0.6
121.06535	1.8
121.10149	9.0
123.08083	2.3
123.11694	3.3
129.07021	0.8
131.08580	5.9
133.06499	1.0
133.10129	13.0
135.08075	2.0
135.11703	8.3
137.09686	0.6
137.13248	1.9
139.07559	1.4
142.07753	1.1
143.08545	3.8
144.09221	0.5
145.10114	4.9
147.08104	2.6
147.11700	7.4
149.09618	1.2
149.13289	1.8
153.09103	2.2
156.09349	0.9
157.10136	7.9
159.08107	0.9
159.11688	7.0
160.08797	0.6
161.09631	5.4
161.13280	3.6
163.14870	0.8
171.11682	4.4
173.09628	1.4
173.13278	6.7
174.13768	0.5
174.68454	0.5
175.11218	2.3
175.14853	8.4
176.15152	0.8
177.16312	0.9
179.60234	0.5
181.10020	0.5
183.11726	0.7
184.12418	0.6
185.13405	0.7
187.11125	1.0
187.14804	1.3
189.09154	0.7
189.12839	0.9
189.16393	13.5
191.17929	3.8
193.15894	0.9
197.13275	0.7
199.14816	9.7
201.12762	0.9
201.16409	1.9
202.13469	2.5
203.14288	0.9
207.17480	1.0
209.19084	1.1
210.14059	0.7
211.14955	0.7
212.11786	0.8
213.12791	0.7
213.16202	0.6
215.14333	0.9
217.15887	41.1
218.16217	1.4
219.17474	0.9
227.14299	5.1
229.15875	1.6
229.23395	0.7
235.16913	2.1
239.14238	0.7
241.15906	0.6
243.13971	1.0
243.17430	1.0
244.18410	0.5
245.15277	0.9
249.41541	0.6
267.17270	0.7
277.18045	2.2
280.48746	0.5
281.18945	1.1
299.20160	1.1
435.32718	1.7
439.28488	1.4
467.35193	2.0
477.34125	1.3
495.34683	100.0
496.34979	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	495.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03966	11.0
55.05494	12.4
57.03430	11.0
57.07081	57.3
67.05511	51.5
69.07071	33.5
69.52986	32.7
71.08632	35.4
79.05508	26.5
79.09158	12.1
81.07060	100.0
83.08614	32.4
85.10176	14.4
89.06034	29.8
91.05482	13.3
93.07087	15.3
95.08614	94.7
97.10136	15.6
109.10137	23.8
110.53157	12.7
119.08634	17.0
121.10188	15.2
123.11678	15.5
124.27513	11.5
133.08591	14.1
139.07550	44.1
147.11649	18.8
151.70111	10.9
230.64816	12.4
265.08514	9.9
283.17471	14.7
320.49936	11.9
336.23126	10.8
445.36856	22.4
477.39346	41.8
477.86612	10.9
485.82892	12.0
495.33310	36.1
495.40302	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
56.05060	1.5
56.96562	7.1
57.03437	3.3
60.92367	1.7
61.02924	4.8
65.03950	7.4
69.03432	8.4
69.26356	6.5
69.26778	4.3
70.06598	2.4
71.04994	2.4
73.02901	1.4
74.06053	1.5
81.03425	4.0
84.96027	2.9
85.02911	32.3
91.08590	1.4
93.03377	12.7
97.02885	9.9
98.23369	2.7
98.97591	17.9
99.04425	2.0
103.03894	1.5
105.89385	1.6
109.02875	4.5
110.97562	4.8
111.03690	2.3
111.04448	37.9
114.92361	1.4
116.98647	7.4
120.08099	7.0
122.03641	4.1
127.03906	8.7
128.98628	4.5
137.02353	28.3
137.05977	79.7
138.06337	2.4
145.04973	11.8
146.99634	1.7
155.03397	100.0
156.03746	2.1
163.03885	3.9
163.06041	4.3
166.08600	1.8
177.00632	2.0
187.02786	2.9
188.97221	1.8
201.04182	1.8
205.03931	2.7
214.95407	1.6
219.01736	6.4
219.03609	1.7
219.33141	1.4
222.04384	2.9
229.03839	2.9
232.96553	1.7
236.08780	1.4
237.02798	11.8
238.03024	1.6
240.05370	1.7
250.97284	1.5
271.04938	1.8
299.07523	1.9
299.10397	1.6
323.10123	2.1
331.06985	6.5
349.08084	7.6
435.18430	1.6
496.14767	6.9
497.12595	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04548	0.3
61.02922	0.7
65.03915	0.4
66.04720	0.3
69.03430	1.1
70.06597	0.8
71.04990	0.3
71.31360	0.4
79.05472	0.3
81.03420	0.5
84.08131	0.4
85.02917	3.3
91.05482	0.4
94.04195	2.3
97.02894	1.2
99.04474	0.3
109.02854	0.4
109.77508	0.3
110.07176	0.6
112.94934	0.3
122.03650	5.5
122.11981	0.3
127.03919	0.6
129.10263	0.5
136.06212	0.5
136.07512	0.3
137.05981	100.0
138.06348	1.8
145.05002	1.1
147.04407	0.4
148.42395	0.3
163.03986	0.3
167.07080	1.2
171.06546	0.3
179.07083	0.3
181.04851	0.5
221.08110	0.5
263.09100	0.5
299.11121	0.5
476.66702	0.3
496.13849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.5
61.80773	2.0
64.05399	1.9
64.82009	2.0
67.05515	6.6
69.03436	4.3
69.07047	3.7
71.04996	3.0
79.05505	7.4
81.07080	4.2
83.04987	100.0
85.02922	3.2
91.05492	17.4
93.07037	6.9
95.04984	5.8
95.08629	4.1
97.06533	6.2
100.11296	2.7
105.07034	4.5
107.08604	4.5
111.04438	3.7
115.05481	10.8
117.07034	13.4
119.04969	2.1
119.08562	4.4
121.10164	4.4
123.08105	2.7
128.06232	10.9
129.07021	16.6
131.08604	4.5
133.10121	3.2
141.07013	12.5
142.07785	7.0
143.08574	8.6
145.06477	2.8
145.10042	2.6
149.09619	4.1
149.57277	2.1
153.07007	6.2
153.19113	2.2
155.08582	8.8
156.09315	6.5
157.10153	9.3
159.11626	2.3
161.09628	2.8
165.07025	7.6
166.07780	5.1
169.06598	2.8
171.08162	3.2
181.10120	3.8
197.09715	1.9
199.11148	5.0
246.54643	2.3
303.04895	5.0
317.11694	2.3
335.21844	4.2
336.45395	2.3
397.28043	2.3
463.92847	2.3
496.10297	2.2
496.25018	3.2
496.74826	2.6
497.27518	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	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00094	11.1
55.05527	23.4
67.05518	28.5
69.03429	25.8
69.07074	42.0
69.73181	34.0
71.05005	13.8
72.98872	11.0
78.76732	11.7
79.05499	28.7
81.07071	46.0
83.05006	22.0
85.02922	38.3
85.06554	32.9
87.00859	13.9
91.05481	19.7
93.07057	36.4
95.04972	26.9
95.08627	48.5
97.06546	24.3
98.23364	15.0
98.97595	24.3
99.08093	18.3
105.07038	32.6
107.08618	33.8
109.02848	27.1
109.06541	23.8
109.10156	16.4
111.04440	12.8
119.08573	15.4
121.10166	41.7
127.03982	20.2
133.10175	17.4
135.11717	31.4
137.07993	11.0
137.13336	21.1
145.10152	32.0
147.02794	11.3
147.07948	13.6
147.11737	16.4
153.12737	13.2
159.03102	11.3
159.11676	11.3
163.11261	14.1
167.14301	11.5
177.16403	41.7
181.12343	14.0
187.11220	21.2
195.17525	31.2
205.12163	12.6
213.18555	93.5
233.11894	15.8
411.19678	15.6
425.14517	22.3
452.19827	25.8
453.20746	39.9
461.23880	29.6
496.18649	77.5
497.19943	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.02421	0.2
54.93622	0.2
55.05513	0.4
56.05034	1.6
57.03435	0.7
57.07079	3.4
58.06306	0.3
58.06577	1.8
59.07376	0.4
60.08163	17.4
67.05503	0.5
69.07056	0.3
69.10697	0.5
69.11111	0.9
71.07373	7.2
71.08638	1.9
78.57844	0.2
78.58320	0.2
81.07051	0.8
83.08609	0.4
85.10188	0.9
86.09705	50.0
87.10043	0.5
95.08584	1.0
97.10166	0.4
98.98466	4.7
103.79342	0.2
104.10743	100.0
105.11075	1.4
109.10175	0.3
125.00002	29.3
143.01067	0.3
163.01579	0.8
181.02609	0.3
184.07341	98.4
185.07761	1.3
258.10995	1.0
313.27399	1.9
419.25500	0.4
477.87289	0.2
478.32916	8.9
479.33328	0.6
496.33975	23.2
497.34271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.04783	0.1
56.05032	0.6
57.03433	0.3
57.07086	0.7
58.06357	0.2
58.06623	0.5
60.08167	5.7
67.05513	0.3
67.27882	0.2
69.07084	0.3
69.20577	0.4
69.21005	0.6
71.07374	3.2
71.08629	0.4
81.07063	0.4
85.10181	0.3
86.09708	28.1
87.10041	0.4
91.05463	0.2
93.07049	0.3
95.08607	0.6
98.23402	0.3
98.98461	2.7
104.10743	3.3
105.07035	0.3
107.08581	0.4
109.10155	0.5
119.08590	0.4
121.10165	0.3
123.11684	0.2
125.00007	20.6
131.08530	0.1
133.10123	0.3
135.11679	0.2
145.10156	0.3
147.07985	0.2
147.11668	0.2
171.11516	0.1
175.14841	0.2
177.80252	0.1
184.07347	100.0
185.07683	1.2
187.14894	0.2
202.07222	0.1
205.12161	0.1
207.39709	0.1
233.15436	0.2
313.27298	0.5
326.98721	0.2
424.73230	0.2
478.33038	0.8
496.34698	2.4
497.35007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38144	2.3
70.06593	3.7
70.35029	4.9
70.35413	3.1
71.42501	2.5
84.28995	2.1
85.75212	2.2
86.04749	2.4
98.97586	8.5
110.97552	4.4
116.98593	2.8
118.89635	2.3
135.98546	2.6
137.05902	2.5
159.02690	4.7
161.05968	5.1
192.37907	2.3
219.35600	2.4
221.95445	2.7
231.04141	10.6
237.02832	5.5
335.07370	6.8
393.08655	6.4
411.09946	4.2
429.10550	4.7
453.11533	13.9
497.10571	100.0
498.11148	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	497.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.85852	0.5
55.01856	0.9
55.05502	0.8
57.03419	0.9
61.02915	1.4
64.70890	0.4
65.03924	1.3
67.05508	2.3
67.72149	0.5
69.03432	4.6
69.07068	52.9
70.07375	0.7
70.68983	0.9
73.02909	0.6
79.05478	1.1
81.03413	2.5
81.07056	5.0
83.04950	0.7
85.02905	8.4
87.04464	1.1
91.05464	0.5
92.04989	1.2
93.05800	0.6
93.07030	1.8
94.06576	3.5
95.04964	1.0
97.02878	3.5
97.06526	8.2
99.04444	0.9
105.07000	1.1
108.04483	0.9
109.02843	1.2
109.06496	1.2
111.94416	0.5
118.06622	0.4
120.08056	0.6
121.06521	0.8
122.06027	6.6
124.07568	1.9
125.05998	1.1
127.03882	1.9
129.07019	0.8
131.07318	0.5
131.08629	0.7
133.10078	0.5
136.07462	0.7
137.05988	2.0
138.05479	4.5
140.07047	5.3
143.08508	0.6
144.08119	1.0
145.04900	1.1
145.08838	1.5
145.10088	1.3
146.09619	2.5
147.06747	1.1
147.11728	0.6
148.03972	1.6
150.05499	64.5
151.05794	1.6
152.07031	0.9
157.08844	1.6
159.10471	1.0
160.07576	0.7
160.11218	0.7
161.08337	3.3
162.09129	3.0
165.04219	0.6
166.04993	15.5
168.06615	0.9
172.07552	1.3
172.11241	3.6
173.08307	1.3
174.09250	0.8
174.12781	5.0
176.03433	3.8
178.04987	1.0
182.04422	1.0
185.08420	1.0
186.07550	0.7
188.10664	1.4
190.08487	0.5
190.12263	6.2
192.02977	0.8
194.04510	2.2
198.07658	0.7
198.09299	0.8
198.14740	0.6
199.06262	0.6
200.07140	0.9
200.10747	5.2
202.12267	5.3
203.10649	0.6
206.11716	0.6
213.10199	0.8
216.10158	4.7
218.08197	1.6
218.11754	18.9
219.12146	1.1
227.11652	0.7
228.10187	11.5
229.10667	0.8
229.13336	1.3
231.04732	0.6
234.11307	2.1
243.11255	1.6
244.09702	1.8
245.12737	0.9
246.11247	16.5
247.11508	0.6
254.08098	0.7
255.11261	1.0
256.09607	1.5
257.09283	1.2
261.08768	0.8
261.12466	0.9
262.10886	0.6
269.09241	0.8
271.10712	4.6
272.09167	3.2
273.12360	2.0
274.10623	2.9
287.10269	8.2
289.11816	8.0
290.10272	1.6
291.13303	0.7
299.10269	6.5
317.11310	28.7
318.09842	1.7
335.12357	100.0
336.12732	5.7
377.13965	0.5
411.19608	3.0
435.19727	0.6
453.20914	8.3
453.65778	0.5
497.19858	17.7
498.20251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1785
Annotation	Steganangin
Peak:m/z	Relative Intensity
50.80271	1.4
53.03950	2.5
54.79438	1.5
59.04997	6.1
67.05484	2.5
67.82672	1.5
69.03431	4.2
69.07067	6.2
71.30597	2.2
81.03436	2.7
81.07056	5.3
83.04945	2.4
85.02913	4.1
87.00844	2.8
91.05473	4.6
93.07043	3.2
95.04981	2.3
95.08615	4.7
97.02908	2.0
98.97610	9.8
99.04497	2.0
105.01859	2.4
105.07031	4.0
107.08567	3.6
109.02885	3.2
109.06554	2.4
109.10136	2.1
111.11715	2.5
116.74416	1.6
116.98643	3.7
119.08591	4.1
121.10188	2.5
123.11713	1.7
125.09635	2.1
125.10935	1.9
127.03933	5.7
127.11167	3.0
129.06963	2.0
129.12772	6.0
131.00180	3.0
131.08585	3.3
131.63940	1.7
133.10118	3.0
135.11713	2.0
137.05937	2.0
143.08507	2.1
145.04941	2.1
145.10181	2.5
153.01878	3.7
158.99666	2.5
161.49629	1.7
168.08934	2.3
169.10138	6.6
173.01289	1.9
173.13263	3.4
177.00757	4.3
236.61098	1.7
249.18652	1.9
265.11200	2.5
291.12500	2.4
305.02713	19.8
453.19095	8.8
479.15594	4.1
497.17667	100.0
498.18066	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	497.179
Annotation	Steganangin
Peak:m/z	Relative Intensity
56.96565	3.3
67.05520	1.1
69.03444	1.4
69.36134	1.2
71.12700	1.1
71.31744	1.3
71.32104	1.3
79.05492	1.3
81.03429	1.7
81.07061	1.1
82.16895	1.0
91.05482	1.7
93.07057	0.9
98.97591	5.1
100.11244	1.7
102.19082	1.0
105.07072	1.1
109.02919	2.5
110.97606	1.9
116.98640	1.5
121.51506	1.4
128.98628	2.6
137.05904	2.0
167.01614	1.4
167.07004	1.7
209.06323	1.5
219.01796	3.3
237.02809	6.2
238.05347	1.2
246.44058	1.2
267.12796	1.8
285.13870	5.2
289.05429	1.6
291.79047	1.1
303.14743	1.2
309.13626	2.2
327.14813	1.2
411.16754	23.6
453.18365	17.1
497.17880	100.0
498.18192	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	497.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.05515	89.4
57.03443	10.9
59.05005	3.5
61.02933	18.4
65.03945	2.4
67.05507	29.0
69.01578	9.6
69.02004	7.4
69.03421	12.0
69.07069	9.5
71.01364	2.4
73.02911	7.0
75.04487	2.3
78.27451	1.7
79.05496	18.7
81.03429	9.2
81.07070	33.1
83.04987	100.0
83.08619	5.2
85.02913	19.5
85.06559	1.9
87.04484	7.0
91.03951	10.4
91.05494	24.9
93.07052	29.7
93.78085	2.0
95.04977	5.2
95.08614	29.3
97.02911	15.2
97.06540	2.2
97.10175	2.4
98.23399	2.8
99.04447	6.2
99.08058	2.8
101.02391	4.0
103.03965	2.5
103.05494	2.4
104.06264	5.6
105.07040	17.2
107.04991	2.3
107.08593	17.8
109.02868	3.8
109.06537	4.8
109.10160	13.9
110.46743	1.6
111.04485	2.6
111.08125	2.5
115.03957	4.4
115.05437	4.0
117.07022	8.9
119.04940	18.1
119.08590	21.0
121.06544	8.9
121.10157	16.7
123.08071	4.0
123.11716	7.5
127.03943	8.2
129.07034	2.0
131.08553	11.3
132.05725	36.1
133.10146	9.1
134.07224	2.2
135.08083	2.7
135.11710	10.6
143.04936	2.1
143.08617	4.0
145.05002	3.3
145.10159	9.2
147.08055	18.4
147.11671	7.3
148.08664	1.9
149.05974	3.4
149.09666	4.3
149.13266	5.2
151.07439	2.1
155.08461	1.9
157.10130	6.2
159.11722	8.1
160.05240	2.3
161.05952	2.1
161.09612	2.4
161.13277	6.5
163.11229	2.3
163.14803	3.8
167.08522	2.7
169.10168	2.5
171.11745	4.0
173.09639	3.4
173.13313	3.8
175.07567	8.3
175.14789	2.9
176.17566	1.7
177.05513	3.5
179.10690	16.4
179.14412	1.8
179.60927	1.8
185.13350	3.3
187.14774	3.7
189.12717	2.1
189.16393	2.6
192.07822	1.9
197.13220	2.2
199.14854	2.2
203.14241	2.2
207.10165	95.4
219.08060	2.8
222.06648	2.5
223.03636	2.1
225.05400	2.9
225.11182	5.2
237.05460	2.1
241.15913	1.8
247.07692	3.0
250.06267	4.3
251.03377	2.4
251.07060	2.6
253.05029	2.8
255.06497	1.9
261.05380	2.1
261.22220	3.7
263.07077	3.4
264.07739	3.1
265.05103	5.4
265.08572	6.6
266.05713	2.2
267.06760	2.9
267.09909	3.0
271.05862	2.0
277.08786	3.0
279.06525	6.8
279.10120	4.0
280.07159	2.3
281.08093	3.6
291.06631	3.5
293.08075	5.4
294.05292	2.9
294.08820	5.1
295.06253	1.9
295.09369	4.0
297.04465	2.0
297.07565	9.5
299.05457	3.9
305.08063	4.8
307.05997	3.0
307.09372	3.0
308.06528	2.0
308.10855	1.9
309.07635	3.7
309.11111	3.5
311.05447	8.0
313.07092	10.0
321.07434	4.9
322.08548	2.5
323.09085	16.1
324.09570	3.2
325.07059	4.5
325.10541	2.9
326.07898	7.7
327.08298	2.6
328.09396	7.2
333.07513	4.2
335.25867	14.0
337.10709	10.0
339.08643	4.6
339.12357	2.4
340.09506	3.3
341.10327	2.4
347.09155	2.1
348.09927	3.8
349.06946	4.3
350.07837	2.3
353.10196	3.9
355.11911	3.5
364.09506	3.3
365.10107	7.9
366.10938	5.3
367.11902	10.1
369.13385	11.4
375.07510	2.1
379.11426	9.2
385.13046	2.5
397.12888	16.7
410.13519	6.8
437.30466	3.9
497.18344	2.3
497.31223	12.3
497.36005	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	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81591	0.4
55.67452	0.4
67.05494	0.6
70.06588	1.0
70.13107	1.0
70.13496	0.9
79.05498	0.6
81.07084	0.5
86.09691	0.6
91.05472	1.1
93.07050	0.6
95.08630	0.6
98.97585	0.6
105.07044	2.0
107.08613	1.1
119.05038	0.4
119.08613	2.9
126.62428	0.4
131.08524	0.7
133.71291	0.4
137.05984	1.1
139.53925	0.5
147.11719	1.5
151.03954	0.6
153.05318	0.4
173.13298	0.9
174.87248	0.5
199.14757	0.6
203.05327	0.6
231.13617	1.9
245.06314	3.1
249.14574	3.4
277.14188	1.1
289.05322	8.5
391.17303	1.6
393.18948	2.8
409.18408	0.9
411.19870	11.8
412.20004	0.5
414.96881	0.5
433.16696	0.5
435.15521	1.5
435.20099	2.1
453.20963	33.6
454.21375	2.0
479.19131	3.9
497.19931	100.0
498.20236	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	497.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02906	0.5
54.30042	0.5
60.30061	0.4
62.45798	0.4
65.94865	0.5
66.50308	0.4
67.05507	0.9
69.03439	0.5
69.07034	0.7
69.24858	0.5
71.30773	0.7
79.05527	0.5
81.07050	1.4
85.02892	0.7
86.24450	0.5
91.05515	0.7
93.07051	1.0
95.04966	7.3
95.08600	0.7
105.07037	1.6
107.08569	0.9
109.02831	1.0
109.06528	0.5
119.08645	0.6
124.07546	0.8
131.08546	0.5
133.10210	0.8
136.07564	4.2
146.11098	0.5
164.07083	3.2
185.13298	0.6
227.05322	1.4
231.13640	0.9
245.06363	1.7
249.14658	1.2
271.04306	1.5
289.05280	9.1
309.94064	0.5
328.42810	0.6
367.88058	0.5
393.18710	1.5
411.19876	9.8
435.20190	3.2
453.20953	31.4
454.21335	1.5
479.12802	0.6
479.19016	3.8
497.19946	100.0
498.20282	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	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11557	0.3
53.03964	0.3
56.67086	0.4
67.05492	0.8
69.03446	0.9
69.07090	0.5
70.02666	1.3
70.06596	0.4
72.30675	0.4
73.97768	0.4
79.05497	0.6
81.07041	1.5
85.02924	0.7
87.23414	0.3
91.05479	1.2
93.07048	1.1
95.04975	0.6
95.08603	0.7
97.02891	0.7
98.37682	0.4
105.07031	1.7
107.08591	1.4
109.02834	0.4
109.06527	0.4
109.10178	0.5
117.07026	0.8
119.08588	3.2
121.06537	1.3
122.06022	0.4
123.08045	0.5
124.07590	0.4
127.03961	0.6
131.08540	0.5
136.07581	0.5
137.09674	0.4
145.10178	0.6
147.11670	1.9
161.05870	0.4
164.07088	0.8
173.13243	0.8
203.05229	0.8
217.12375	0.4
227.05284	0.6
231.13596	1.9
245.06296	2.7
249.11420	0.4
249.12355	0.5
249.14616	3.2
271.04239	0.8
277.14194	1.7
289.05267	8.8
349.16205	0.5
391.17383	1.2
393.18915	1.5
409.18274	0.9
411.19852	8.8
412.20200	0.4
435.15143	0.7
435.19940	2.3
453.20956	30.6
454.21359	2.4
465.18439	0.4
479.18866	3.6
497.19919	100.0
498.20245	6.7
512.82678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46881	4.1
53.03957	8.6
55.01875	15.7
55.05519	55.1
56.14063	5.0
57.03433	7.2
57.07083	30.9
67.05514	63.8
68.99807	11.6
69.03439	75.1
69.07079	93.5
69.52406	13.6
69.52823	21.4
71.01384	6.8
71.04998	15.0
71.08655	7.2
73.02944	5.8
79.05503	28.1
81.03439	23.0
81.07069	100.0
83.04991	19.5
83.08629	41.1
85.02906	42.0
85.06553	53.1
87.00852	24.7
91.05488	31.2
93.07053	47.0
95.04984	20.3
95.08610	93.2
97.02874	26.1
97.10189	22.7
99.08087	6.3
101.28138	5.3
105.01892	11.2
105.07024	39.3
107.08614	58.3
109.02922	19.2
109.06531	13.6
109.10167	77.6
109.16653	5.0
111.04471	18.0
111.08083	6.2
111.11741	9.6
115.03905	8.8
117.07038	13.8
119.08586	34.0
120.08202	5.3
121.06511	20.1
121.10136	40.6
122.99998	5.1
123.04451	7.2
123.08109	10.0
123.11738	48.6
125.09647	8.2
127.03922	30.3
128.06291	8.4
129.01881	10.0
129.05501	6.1
129.07039	9.7
131.08601	21.1
133.06606	7.0
133.10141	32.6
135.08073	12.6
135.11710	28.3
137.13263	25.9
141.09210	6.2
143.08636	8.7
145.06482	7.2
145.10153	20.5
147.11743	21.0
149.09669	10.4
149.13272	26.2
151.11215	7.6
151.14835	9.4
153.01851	10.1
155.08568	8.7
157.10202	15.8
159.02975	7.5
159.11725	16.5
161.09637	7.7
161.13335	16.8
163.07544	7.6
163.11101	7.4
163.14859	15.0
164.14748	5.3
173.13312	7.0
175.11107	6.5
175.14828	8.7
177.12636	5.5
177.16418	10.7
179.10811	7.8
185.09532	5.8
187.07574	7.5
187.11169	12.3
187.14888	6.8
197.13356	7.0
199.11197	5.9
199.14952	8.4
201.03963	7.4
242.05843	29.5
247.24263	8.7
257.04504	22.7
258.05145	13.7
270.05301	20.7
283.06113	14.5
284.06937	7.1
286.04755	22.7
287.05460	7.9
289.25388	5.7
295.06201	7.1
297.07770	6.6
311.05560	17.2
313.07059	14.9
325.07101	15.0
352.78574	5.7
357.28006	31.3
368.52454	5.6
375.29251	8.6
443.28107	6.4
461.29004	12.0
479.29703	11.9
497.10892	94.4
497.27295	16.4
498.11441	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	497.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67186	1.1
52.14067	1.3
53.03945	2.1
54.49444	1.2
55.05513	8.2
57.03428	1.4
57.07069	3.0
67.05509	9.7
69.03432	1.4
69.07071	9.4
69.08885	6.0
69.09310	3.6
71.05016	2.7
79.05495	12.0
81.07059	24.0
83.04992	2.4
83.08629	5.4
85.06564	1.3
91.05485	16.4
93.07057	24.6
95.04974	4.3
95.08611	36.8
97.06539	2.8
97.10190	2.3
99.08115	3.1
105.07039	30.7
107.08604	36.5
107.09284	2.3
109.06533	4.1
109.10159	19.3
111.08093	2.3
115.05444	1.4
117.07009	6.1
119.08585	91.3
120.08907	2.2
121.06502	7.2
121.10149	32.3
123.08086	3.3
123.11736	12.1
125.06037	2.9
125.09620	1.8
129.07043	4.5
131.08559	14.6
133.06503	2.3
133.10141	40.9
135.08031	5.7
135.11694	24.7
137.09644	2.3
137.13255	2.4
139.11182	1.6
141.06987	1.3
142.07819	2.0
143.08572	10.1
144.09360	5.4
145.06517	1.8
145.10127	23.4
146.10889	1.6
147.08066	11.2
147.11691	31.2
149.09673	3.0
149.13286	5.7
155.08592	3.4
156.09372	3.2
157.06548	1.7
157.10146	10.6
158.10893	1.3
159.08095	4.7
159.11699	34.5
161.09669	4.7
161.13263	19.1
163.07602	1.8
163.11227	4.0
163.14867	3.9
169.10150	4.7
170.10921	1.5
170.62709	1.1
171.08087	3.8
171.11719	13.2
173.09660	8.6
173.13246	13.2
174.13966	1.3
175.11253	2.7
175.14836	7.1
177.09122	1.5
177.12787	3.2
177.16394	4.4
181.10153	2.3
183.11719	6.6
185.09613	2.2
185.13196	6.0
187.07545	3.5
187.11203	17.7
187.14819	11.3
189.09128	1.6
189.12816	6.7
189.16399	99.1
190.16780	5.3
191.10793	1.3
191.17905	6.0
195.11737	3.1
196.12386	1.8
197.13239	7.0
199.11101	2.6
199.14801	6.1
201.12756	4.0
201.16449	7.2
203.10699	2.1
203.14293	3.5
203.17911	8.4
205.12259	14.1
205.15968	1.9
205.19516	1.6
205.93837	1.3
207.11786	2.3
207.17540	3.5
209.13333	3.6
211.11160	3.1
211.14815	6.1
213.12823	3.4
213.16393	5.7
215.10724	4.4
215.14410	4.3
215.17987	3.7
217.12160	1.5
217.15962	1.9
217.19485	1.5
219.13834	1.7
221.13368	1.9
223.58533	1.4
225.12779	1.7
225.16417	4.2
227.14354	2.6
227.17825	2.7
229.12239	9.4
229.15866	2.2
229.19572	1.7
231.13873	1.9
231.17523	2.7
233.11740	2.5
233.15387	7.1
237.16425	3.0
238.16891	1.2
239.17920	2.7
241.15900	3.5
243.13965	1.3
243.17584	3.0
243.21198	1.3
249.18549	4.6
251.18007	1.7
253.16035	2.3
253.19511	2.0
255.17448	2.3
257.18991	1.9
259.17093	3.4
263.17831	2.7
263.20282	1.9
267.20987	1.4
283.17224	2.0
283.20422	1.8
299.19922	1.3
301.21655	1.5
331.24063	1.5
333.25684	1.6
349.28989	2.0
367.25934	1.4
391.29913	5.2
401.28091	1.6
409.30939	21.0
410.31122	2.1
419.28882	8.7
437.29758	9.9
451.32059	17.2
452.32306	1.9
455.31583	1.5
467.35355	2.2
469.33176	6.6
479.35864	19.1
497.32584	100.0
498.31897	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3611
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.03931	1.3
55.05502	2.9
57.07067	2.0
67.05505	4.1
69.07075	8.4
79.05505	5.8
81.07064	11.0
83.04967	1.5
83.08624	1.9
91.05488	5.2
93.07049	6.7
95.04975	1.8
95.08617	13.3
97.06519	1.8
97.10148	1.4
98.59722	0.9
105.07040	8.2
107.08600	12.0
108.00132	1.0
109.06538	2.1
109.10162	7.1
111.08082	1.1
111.11749	1.0
117.07065	1.9
119.08597	16.0
121.06502	4.4
121.10157	13.3
123.04453	1.0
123.08076	2.6
123.11707	7.0
129.07027	1.2
131.08598	4.2
133.09178	1.3
133.10129	10.7
135.08052	3.1
135.11673	7.4
136.12123	0.9
137.09644	1.6
137.13260	1.5
139.07561	1.1
142.07724	1.8
143.08524	2.8
145.06427	1.0
145.10109	7.5
147.08041	1.8
147.11690	6.2
149.09569	1.6
149.13266	2.3
151.11212	1.1
151.14830	1.0
155.08533	1.3
156.09352	1.4
157.10144	3.2
159.08080	2.0
159.11703	6.9
161.09598	2.0
161.13271	3.4
163.07559	1.3
163.11278	1.1
163.14825	1.6
169.10089	1.7
169.13168	0.8
171.08006	1.1
171.11668	3.3
173.09644	2.6
173.13278	4.4
175.11108	2.2
175.14873	2.7
177.12675	1.1
177.16447	5.1
179.14264	1.2
183.11710	2.2
185.13231	2.6
187.11243	2.6
187.14783	4.2
189.12759	1.7
189.16376	10.1
191.14285	1.2
191.17873	1.6
195.11713	1.1
197.13304	1.5
199.14850	2.3
201.12750	2.6
201.16315	0.8
203.14322	1.5
203.17992	2.7
205.15889	0.9
211.14680	1.0
213.12700	1.8
213.16402	1.3
215.14281	2.1
223.25572	0.9
227.17996	1.0
229.12170	1.0
231.17467	1.5
233.15369	2.5
237.16396	1.2
239.17957	1.0
241.15894	3.8
243.17476	1.9
255.17256	1.1
259.16916	2.6
283.20547	1.7
297.21982	1.4
309.22284	0.9
319.18945	1.3
367.65097	0.8
377.28345	0.8
419.28943	2.5
419.33575	1.4
437.30246	4.3
437.34555	3.1
475.97772	1.0
479.35104	33.4
480.35126	2.9
497.35703	100.0
498.37158	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	497.3621
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
55.05517	4.0
57.03440	1.5
57.07085	1.5
57.72653	0.9
59.05012	2.1
64.03774	0.8
67.05505	6.7
68.88908	0.7
69.03410	1.2
69.07080	5.2
71.07487	1.5
79.05494	4.6
81.07059	10.1
83.08620	2.5
85.02912	1.2
87.17781	0.8
91.05495	4.8
92.46294	0.7
93.07046	10.7
95.04990	1.5
95.08610	14.9
95.09168	1.4
97.06532	1.2
97.10191	0.9
99.08080	1.2
101.45553	0.7
105.07031	10.9
107.05039	0.8
107.08603	13.4
109.06522	2.4
109.10153	10.4
111.08091	1.3
111.11731	0.9
112.34081	0.8
117.07046	1.6
117.97008	0.7
119.08586	14.9
120.08926	0.8
121.06534	2.9
121.10152	11.0
123.08079	2.6
123.11701	5.6
129.06992	1.1
131.08549	4.9
132.46596	0.8
133.10133	9.9
135.08054	3.1
135.11690	8.4
137.09639	2.1
137.13231	1.8
139.07590	0.9
142.07796	1.1
143.08553	3.8
145.06516	1.1
145.10135	10.6
147.11693	7.7
149.09616	3.0
149.13297	4.0
151.11241	1.0
155.08601	2.2
157.10127	4.7
159.08069	2.1
159.11760	6.4
161.05890	0.8
161.09618	5.5
161.13194	4.4
163.11253	1.4
163.14867	1.5
169.10107	2.9
171.11656	4.5
173.09692	3.0
173.13252	6.9
175.11246	1.6
175.14810	3.3
177.16434	1.3
181.10173	1.1
182.56107	0.9
183.11734	2.6
184.12383	1.0
185.09644	1.6
185.13293	3.8
187.11279	1.9
187.14818	7.4
189.12787	2.9
189.16406	11.2
191.14423	1.4
191.17990	2.3
195.11719	1.7
196.12511	1.4
197.13260	2.6
199.11253	1.0
199.14833	2.3
200.11974	2.7
201.12720	1.5
201.16376	5.6
203.14322	1.8
203.17958	2.6
205.15837	0.9
207.17386	0.8
208.77274	1.0
209.13284	1.4
211.14874	2.7
213.12895	1.4
213.16446	1.4
214.13571	1.9
215.14334	5.5
215.17986	0.8
217.12282	1.4
217.15877	1.5
219.13918	0.9
223.14769	1.9
225.12944	1.1
225.16437	1.4
227.17952	1.9
229.15839	9.0
231.13841	1.2
231.17451	0.8
233.15390	12.0
237.16455	1.0
239.14441	0.8
243.17513	1.6
245.15410	0.9
245.19026	2.0
255.21184	1.0
267.17493	1.0
269.19193	0.8
283.16934	1.0
283.20847	0.9
297.18726	0.9
297.22305	0.9
301.17877	1.1
349.21835	0.8
391.33575	1.2
419.33368	2.1
437.30344	3.9
464.19315	1.0
479.35089	3.3
497.36877	100.0
498.37457	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	497.3626
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
55.05497	5.4
55.72704	5.7
67.05499	10.4
67.10133	5.6
69.07056	21.5
73.22898	5.8
79.05488	12.1
81.07063	31.2
81.10983	5.1
83.08610	6.1
88.45933	5.5
89.06020	18.1
91.05491	10.3
93.07043	21.4
95.08600	33.9
97.59505	5.6
99.04418	11.2
103.24511	5.8
105.07027	20.2
107.08591	32.2
107.33336	6.0
109.10161	22.3
119.08610	33.1
120.11041	5.3
121.06486	9.3
121.10139	23.2
123.11672	24.3
131.08531	12.7
133.08586	7.0
133.10130	22.7
135.11707	13.2
137.13260	8.3
145.10129	14.8
147.11671	25.6
159.11702	7.7
161.13257	21.8
163.14810	10.9
173.13281	7.5
177.16212	6.8
187.14861	10.2
189.16370	47.9
201.16364	6.5
203.18011	5.7
205.15753	8.4
211.14717	7.9
221.15367	6.8
233.15372	35.0
247.38132	5.6
259.20508	5.6
261.08755	5.2
275.20166	5.9
348.24841	6.8
390.77527	5.2
409.33932	5.9
419.33234	16.2
437.34317	28.7
479.35159	13.0
497.36414	100.0
498.36322	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	497.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05498	2.7
57.07071	1.6
57.30608	1.0
67.05502	4.0
69.00549	11.0
69.07074	5.7
79.05499	7.1
81.07063	11.7
83.08601	2.5
91.05469	3.6
93.07046	8.9
95.08607	15.1
97.06533	1.7
99.08101	2.1
105.07037	16.5
107.04977	1.7
107.08595	13.9
109.06485	1.2
109.10146	9.2
119.08581	33.1
120.08892	1.3
121.06481	3.1
121.10139	9.2
123.11720	2.6
125.05959	7.2
131.08578	6.4
133.10139	23.9
135.08063	2.5
135.11693	6.1
136.09032	1.2
139.06386	1.0
139.07541	5.0
143.08580	2.2
145.10129	13.5
147.08104	1.3
147.11702	20.7
149.13304	1.3
155.08658	1.6
157.10155	3.7
159.08086	3.9
159.11685	5.1
161.09639	3.3
161.13283	5.1
169.10117	2.5
171.11723	2.7
173.09686	8.0
173.13286	3.6
174.13882	1.6
175.11197	10.7
177.09135	4.9
182.10915	1.6
183.11714	1.2
185.13191	1.2
187.11290	7.1
187.13385	1.5
187.14789	8.9
189.16385	100.0
190.16710	4.6
191.10699	3.2
191.14388	1.3
197.13324	4.9
199.15076	1.3
203.18062	1.5
205.15910	4.9
205.19456	1.8
207.17474	3.2
211.14767	1.8
215.14348	17.3
218.62065	1.1
229.15886	46.8
230.16130	2.1
231.17418	7.1
233.15370	42.2
234.15805	2.1
243.17422	4.2
246.36266	1.3
247.16951	16.1
249.18497	18.3
257.18954	1.6
283.20514	2.7
331.06961	1.3
342.44720	1.2
368.74051	1.3
419.32919	2.6
432.03815	1.2
437.34085	8.2
479.35226	15.3
480.35568	1.8
497.36270	30.3
498.36298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.0
57.07080	2.6
67.05511	4.2
69.07066	6.4
69.19963	1.0
69.20365	4.0
70.86571	0.6
71.08636	1.6
76.74316	0.6
79.05502	2.0
81.07061	9.2
83.08622	2.9
85.10188	1.2
88.14266	0.6
89.06049	1.5
91.05484	2.2
93.07052	3.5
95.08614	13.4
97.06535	0.9
97.10179	1.1
105.07039	5.0
107.08601	5.6
109.10151	5.5
111.08088	0.7
111.11724	1.5
117.07024	1.4
119.08581	7.2
121.06529	0.6
121.10132	4.3
123.08089	0.7
123.11752	2.2
131.08554	4.2
133.08566	0.8
133.10126	8.3
135.08060	1.8
135.11700	2.1
137.13257	3.2
141.80269	0.7
143.08592	2.3
145.10139	5.4
147.08040	1.2
147.11674	2.9
149.09625	0.7
149.13278	2.4
155.08569	0.7
156.09326	0.8
157.10162	2.4
158.10933	1.4
159.11682	5.5
161.13290	2.2
163.11203	0.9
163.14880	0.9
167.14290	1.0
169.10172	1.4
170.10907	0.8
171.11707	2.0
173.09575	0.9
173.13272	10.8
175.11273	1.3
175.14862	1.2
183.11760	2.1
183.13339	0.6
185.09593	0.7
185.13310	1.4
187.14903	3.0
189.12814	0.9
189.16422	3.5
193.10298	0.7
197.13255	2.5
199.14882	2.1
201.12729	1.2
201.16389	1.1
207.11635	0.8
209.13210	0.7
211.14874	2.5
213.12761	0.8
213.16451	0.8
215.14381	2.5
215.17816	0.6
221.13304	1.3
223.14902	1.1
225.16425	1.2
227.18146	0.7
229.15926	2.5
231.13600	0.8
233.15395	1.6
237.16461	0.7
239.17937	0.7
241.17949	1.0
249.16309	1.1
251.14314	1.7
253.19414	1.5
261.14987	2.4
263.18002	2.5
265.16003	0.9
267.21213	0.9
281.19043	2.6
293.08618	0.7
311.16257	0.9
361.28738	0.7
401.32117	2.4
419.33014	5.2
437.34125	12.2
438.34775	1.1
479.35217	100.0
480.35486	9.2
497.36194	12.7
497.42361	2.1
498.36453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3625
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
50.25242	0.5
53.03941	0.9
55.05516	3.8
57.07076	1.1
60.54024	0.5
62.98144	0.5
67.05509	4.6
68.92081	0.6
69.07076	8.5
69.07597	2.4
75.69942	0.5
79.05494	2.8
81.07056	10.4
83.08628	1.8
91.05473	4.6
91.06025	0.7
93.07043	9.4
95.08610	12.4
97.10194	0.6
98.22615	0.8
105.07037	4.1
107.04965	1.3
107.08599	12.7
109.06506	2.7
109.10156	7.3
111.11710	1.1
117.07068	0.9
119.08579	8.7
121.06508	21.7
121.10143	10.8
123.08071	7.7
123.11708	13.1
123.12560	1.0
125.09646	1.2
129.06989	0.7
130.07788	0.7
131.08542	3.1
132.36945	0.5
133.06480	2.0
133.10127	3.3
135.08055	8.0
135.11674	3.8
137.09610	2.0
137.13278	2.3
143.08540	0.8
145.06474	1.0
145.10153	4.3
147.08031	5.7
147.11693	1.6
149.09636	2.8
149.13304	1.2
151.14821	5.5
157.10130	2.2
159.08076	6.7
159.11699	6.3
161.09630	7.9
161.13266	1.0
163.11176	1.3
163.14833	2.8
169.10168	1.7
171.08020	0.6
171.11731	1.7
173.09586	5.9
173.13260	3.8
175.11197	3.8
177.16377	3.5
179.08533	0.5
181.15952	1.4
183.11716	1.1
185.09659	1.2
185.13266	1.6
187.11191	9.9
187.14832	2.4
189.12755	2.3
189.16435	1.8
191.18013	1.0
199.11275	0.7
199.14825	0.9
200.11987	1.0
201.12747	5.4
201.16376	1.7
209.13260	0.5
211.14844	1.0
213.12714	1.3
215.14359	1.1
215.17992	1.4
225.16420	1.6
227.14320	0.7
228.15128	0.8
229.15892	8.2
243.17438	16.3
247.17110	1.2
251.18005	0.7
255.17450	1.0
257.19040	1.4
261.18497	1.0
263.18054	0.8
267.17303	0.5
269.18948	0.9
281.19208	0.5
281.22488	0.9
283.20490	2.4
289.17883	0.8
292.59448	0.5
294.19757	0.5
295.20496	1.2
297.22122	1.2
303.19547	6.4
309.22171	2.6
315.19412	0.6
317.21222	2.2
323.23959	0.6
329.21069	0.5
341.20898	1.2
343.23032	0.6
355.22699	0.8
369.24271	4.7
383.25800	1.5
401.32144	1.1
419.33090	2.2
421.31204	1.0
437.33926	0.8
439.32065	2.2
455.35452	0.7
461.34052	1.5
479.35172	12.8
480.35687	1.3
497.36249	100.0
498.36581	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	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.07077	0.5
61.93433	0.4
67.05515	1.9
69.03451	0.6
69.07074	1.9
69.16300	2.7
69.87142	0.4
70.94542	0.4
75.97538	0.4
79.05490	1.7
81.07072	4.1
83.08615	0.9
91.05469	1.5
93.07036	2.0
95.04982	0.6
95.08610	6.8
97.06552	0.7
98.22591	0.8
105.07030	2.9
107.08601	4.1
109.06530	1.0
109.10170	5.1
111.11732	0.8
113.05994	0.6
117.07005	0.9
118.20840	0.4
119.08591	3.8
121.06470	0.6
121.10175	3.5
123.08077	0.5
123.11710	2.2
127.11211	0.7
131.08600	2.7
133.10143	3.7
135.08038	1.1
135.11678	2.0
137.09703	0.4
137.13272	1.1
137.15788	0.4
143.08588	0.8
145.10141	4.1
147.08157	0.6
147.11696	1.7
149.09653	1.3
149.13312	0.7
155.08493	0.6
156.09366	0.5
157.10185	1.8
158.10918	0.4
159.11710	3.2
161.09650	0.6
161.13301	1.1
163.11276	0.6
163.14882	0.6
168.93295	0.4
169.10181	1.0
170.10924	0.9
171.11736	1.7
173.09624	0.5
173.13272	6.2
175.11185	0.8
175.14879	1.0
177.16402	0.6
182.10942	0.5
183.11710	1.1
185.09668	0.6
185.13303	2.3
187.14848	3.4
189.12831	0.6
189.16423	1.0
191.17961	0.9
195.11699	0.6
197.13257	0.9
199.14853	1.7
201.12921	0.5
201.16414	0.9
203.14307	0.7
205.15924	0.6
211.14799	0.9
213.12791	2.5
215.14285	2.0
217.15880	0.5
223.14793	0.5
225.16486	0.7
227.14287	0.8
231.13837	1.8
235.10994	0.4
235.18266	0.4
237.16452	0.6
241.15953	0.4
249.16380	0.5
253.20175	0.4
263.18021	0.9
269.22275	0.5
281.18869	0.5
419.33005	4.0
437.34171	100.0
438.34573	9.8
461.91385	0.4
479.35172	0.8
497.36136	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	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68035	0.9
55.05507	3.1
55.33958	0.8
57.07072	1.3
59.37483	0.9
67.05503	4.1
69.03432	1.0
69.07071	7.2
69.11015	1.4
69.11416	6.6
73.04440	0.9
74.12011	0.9
76.65885	0.8
79.05492	2.6
81.07056	12.5
83.08635	1.5
91.05476	3.3
92.29054	1.0
93.07035	6.5
95.04946	0.9
95.08607	18.2
95.09161	1.6
105.07027	6.8
107.08601	10.0
109.06516	0.9
109.10155	9.5
111.08085	1.2
111.11734	2.0
114.68124	0.9
117.06976	1.1
119.08575	9.7
121.10125	6.4
123.08015	1.0
123.11685	6.8
129.07016	1.3
131.08604	4.5
133.10136	9.7
135.08061	2.5
135.11691	3.9
137.09589	1.2
137.13263	4.9
143.08569	2.3
145.10127	8.1
147.08069	2.4
147.11705	8.0
149.13251	2.0
154.46980	1.0
157.10138	3.5
158.10889	1.9
159.11693	8.1
161.09689	1.6
161.13257	4.3
163.11067	1.5
163.14691	1.3
169.10107	2.3
170.10893	1.0
171.11702	4.2
173.09706	1.5
173.13284	12.8
175.11223	2.7
175.14819	2.4
183.11694	2.5
185.13321	4.1
187.11232	1.3
187.14822	4.4
189.12819	1.4
189.16418	6.1
195.11613	2.0
197.13264	2.5
199.14830	2.6
201.12773	1.7
203.17984	1.4
207.11710	1.4
207.17468	2.6
209.13327	1.4
211.14780	2.1
213.12781	2.4
213.16463	1.8
215.14365	1.0
221.13243	1.2
223.14810	1.4
225.16399	2.3
227.14603	1.0
227.18008	1.3
229.16078	1.8
231.17432	0.9
233.13359	2.2
235.14723	1.5
237.16399	1.1
239.14360	1.1
239.17908	1.1
245.18985	1.8
248.15715	1.5
249.16127	1.3
251.14220	1.6
251.17932	1.8
253.19579	2.5
261.14761	5.3
263.17923	6.4
265.15845	1.8
281.19000	8.6
291.21072	0.9
295.20712	1.0
341.21069	3.4
355.22318	0.9
391.33392	1.6
401.32071	3.3
419.33167	4.5
437.34076	14.1
438.34586	1.3
479.35199	100.0
480.35645	7.9
497.36255	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	497.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24060	7.0
55.05501	10.7
55.52042	7.1
55.81677	8.1
55.82007	6.5
57.07077	17.5
59.04993	21.1
60.35439	6.8
65.83194	7.3
66.73714	7.3
67.05511	15.0
69.07061	32.4
69.17865	55.5
73.70706	9.4
79.05479	9.2
81.07056	37.2
83.08614	21.9
83.13168	7.8
85.06582	11.2
91.05471	11.0
93.07040	24.1
95.08597	53.8
97.10138	11.1
105.07021	14.7
107.08580	37.0
109.10150	43.0
119.08584	21.5
121.10148	26.7
123.11707	27.4
131.08502	10.7
133.10155	19.5
135.11720	19.0
137.13264	12.9
140.48949	8.7
143.08578	18.1
145.10130	13.5
147.11714	11.5
149.13216	12.4
157.10074	27.8
159.11653	18.7
159.44273	7.4
171.11696	8.9
173.13235	12.8
175.14775	11.5
177.16365	22.7
185.13220	51.6
187.14818	13.2
199.14880	12.6
205.19550	13.0
217.19530	10.8
225.16457	18.0
227.17802	19.7
241.19589	16.0
283.24323	9.8
315.26810	33.1
379.33835	10.5
405.35031	80.5
437.37656	9.6
465.37335	32.0
497.40106	100.0
498.40686	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.96570	2.5
57.03433	1.8
60.04506	1.2
61.02931	2.2
69.03432	4.3
69.56275	4.2
70.06591	1.4
81.03419	2.7
85.02912	26.7
91.03968	2.2
91.53938	1.0
97.02895	23.1
98.97588	1.1
99.04446	1.7
109.02899	3.0
110.07194	1.7
110.97562	1.7
111.04436	2.7
114.12286	1.0
119.01974	1.3
119.04844	1.0
125.02362	62.3
127.03934	6.6
131.01891	1.1
131.91898	0.9
135.04460	1.1
137.05966	2.4
139.03868	4.5
145.03432	1.0
145.03929	1.1
145.04970	8.1
147.04344	1.2
149.02322	1.6
150.92253	0.9
155.01898	1.1
157.04974	100.0
158.05312	2.0
163.03888	1.6
163.06036	2.7
169.05006	1.8
173.02951	1.7
181.04996	2.7
185.03014	1.3
193.05074	4.3
207.37462	0.9
217.01932	2.1
223.05975	3.6
232.96457	2.0
245.05118	3.3
265.07022	1.8
279.14264	0.9
283.08102	1.9
317.99924	1.1
498.15585	3.2
498.26700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87665	1.6
53.03956	2.2
56.05025	2.0
57.79375	1.8
61.02898	1.8
65.14756	1.7
69.03419	7.0
69.81815	3.6
70.06593	9.8
71.04994	2.4
72.08141	6.5
72.79159	1.9
76.59451	1.9
79.05517	1.7
81.03419	5.6
84.08149	13.2
85.02927	15.1
86.09702	8.5
91.05482	3.3
97.02890	8.3
107.04968	4.2
107.97873	1.9
110.07159	3.8
121.06516	2.7
123.04375	2.9
127.03926	3.9
129.10300	8.9
131.04849	2.1
135.04411	5.7
136.07579	2.4
137.05989	53.6
145.04939	4.3
147.04416	4.9
149.06013	4.1
151.94266	1.9
152.06187	6.0
153.06952	2.5
155.08467	2.1
161.06006	3.2
163.03964	4.7
165.05730	2.4
165.06973	11.6
166.07658	2.1
167.07347	2.0
167.08607	8.6
177.05473	4.8
177.07030	10.4
181.06528	4.7
183.08131	3.8
188.03758	17.2
193.06433	8.9
194.07274	2.8
195.06635	2.5
195.08133	15.8
199.07571	2.5
205.06480	8.6
210.06776	4.1
211.07634	8.9
221.06033	13.9
223.07558	22.1
225.09074	8.3
238.06190	4.4
239.06953	10.3
251.07051	96.7
252.07439	4.9
253.08685	12.0
259.09641	2.9
271.09644	72.5
272.10007	4.6
283.09644	100.0
283.22366	2.2
284.09827	3.9
285.11270	3.0
289.10675	6.5
301.10684	15.2
445.14957	4.2
463.16217	3.8
481.19098	2.8
498.12857	8.8
498.25226	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	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98655	2.5
61.97738	2.3
69.87279	7.1
79.22525	2.5
103.05494	7.9
110.72219	2.7
120.08108	100.0
121.08466	4.7
131.04892	3.6
137.05992	10.5
149.06042	3.7
166.08672	35.0
167.90408	2.3
197.08095	3.0
246.05585	2.6
256.25787	2.5
287.73328	3.3
292.25821	2.4
359.45767	2.7
512.42346	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	498.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.9
55.05507	15.9
67.05521	30.6
69.03416	13.6
69.07059	25.3
70.06586	28.9
71.05015	9.3
71.30817	16.4
78.34796	7.5
79.05482	37.8
81.07066	63.8
83.04980	33.2
83.08618	13.8
85.02926	19.6
85.06541	9.7
86.09725	8.9
91.05487	29.1
93.07036	81.0
95.04985	32.1
95.08609	69.2
97.06522	43.9
99.04475	17.4
105.07042	53.8
107.04985	7.5
107.08599	36.1
109.06542	31.7
109.10175	10.7
111.08086	33.2
111.57655	7.7
116.20979	7.6
119.08566	54.7
120.08105	24.4
121.06512	77.4
121.10142	10.1
123.08053	9.4
123.11723	17.0
125.05979	22.0
133.10150	32.1
135.08055	19.5
137.05919	12.3
139.07564	40.7
143.06987	12.7
145.10110	14.1
147.11693	85.7
151.11180	10.1
157.08601	14.3
157.10175	22.6
157.12218	9.7
159.06589	15.7
161.13260	13.9
163.03442	8.1
164.07137	8.6
165.12723	23.0
169.12207	43.0
171.11742	31.8
175.11176	69.9
183.97165	8.5
189.12747	30.7
193.12231	53.3
198.36365	9.1
199.11250	26.6
207.13806	18.5
211.13284	65.4
217.03496	23.0
217.12233	96.6
229.14363	27.0
235.04527	15.5
235.13290	99.0
253.14339	100.0
271.15439	9.9
350.57376	9.7
367.13733	13.7
391.13876	14.0
409.14954	53.0
427.10904	9.6
427.15768	43.6
445.17023	16.0
454.21445	9.8
498.19739	35.5
508.95465	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	498.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.2
53.03949	4.2
54.46668	1.2
55.01873	2.3
55.05511	2.2
55.12870	1.2
57.03424	4.5
65.03945	6.4
67.05502	3.6
69.03123	1.3
69.03434	11.8
69.07078	1.4
71.04991	11.3
71.31094	1.6
72.09579	1.3
73.02892	1.4
76.21231	1.3
79.05504	6.5
81.03439	9.6
81.07058	3.1
85.02908	16.3
85.06558	1.5
87.00836	3.1
87.49825	1.5
91.05486	9.8
93.03401	19.8
93.07047	2.3
95.04974	2.3
95.08601	3.2
97.02903	16.1
97.06533	1.7
99.04458	3.4
101.02386	31.4
103.03880	1.2
105.07022	6.8
107.08623	2.3
109.02885	12.9
115.05478	4.0
116.06225	1.6
117.07018	3.9
119.03423	100.0
119.08579	3.7
120.03733	2.4
121.06528	2.1
121.10108	2.3
127.03940	22.5
128.06244	5.0
128.43784	1.3
129.06982	3.9
131.03416	2.0
131.08545	4.1
135.08061	1.9
141.07028	1.8
142.07742	2.3
143.08553	2.9
145.04980	7.7
145.06549	2.1
145.10129	2.9
145.28726	1.3
153.06973	2.8
155.06000	1.4
155.08577	2.3
159.08011	1.9
161.04427	1.7
167.08641	1.3
173.04433	5.8
173.05762	1.5
201.12737	2.6
227.05379	2.2
231.17896	1.5
245.06587	10.4
263.07541	3.8
294.00848	1.2
296.13321	1.2
310.52634	1.2
331.04123	1.4
498.23318	1.8
498.95981	1.7
499.28925	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20550	0.3
55.01837	0.6
55.05465	2.1
57.03442	6.5
57.07038	0.6
58.06603	29.9
58.07004	1.1
59.04979	0.6
59.07384	8.8
60.08164	9.6
65.03943	0.3
67.05503	6.4
69.07076	3.0
69.37364	0.3
69.37702	2.2
72.03393	0.3
73.02875	1.1
75.04482	4.4
79.05496	2.4
81.07059	6.2
82.84116	0.3
83.04948	0.4
83.08595	0.6
84.08115	0.6
85.02901	2.3
86.09656	0.3
87.04466	5.8
87.15456	0.3
91.05464	1.6
93.05493	0.5
93.07046	2.2
95.04888	0.7
95.08610	5.0
97.06525	0.8
100.11218	0.4
101.05981	0.4
103.03914	0.6
105.05470	1.2
105.07050	2.0
106.07305	0.4
107.08608	2.6
108.08846	0.4
109.03844	0.3
109.06506	0.6
109.10153	2.5
113.05977	0.6
119.08593	2.5
121.06456	1.0
121.10148	1.9
122.06860	0.3
122.10442	0.4
123.08060	0.7
123.11651	1.4
131.07040	2.2
131.08522	0.5
133.10120	2.1
133.12366	0.3
135.08009	0.5
135.11624	1.0
143.08459	0.3
144.09099	0.4
144.10199	7.2
145.10132	1.1
147.07980	0.5
147.11659	0.7
148.11948	0.3
149.09511	0.4
149.13177	0.5
157.10085	0.5
159.06537	0.4
159.08115	0.6
159.11653	1.0
161.09613	0.7
161.13225	0.7
162.10081	0.5
162.11264	3.8
167.97932	0.5
169.10184	0.4
171.11612	0.7
173.13229	0.7
175.11316	0.5
183.11502	0.3
185.13330	0.4
187.11209	0.4
187.14870	0.6
189.16357	1.1
190.16801	0.4
197.12949	0.3
200.12712	0.5
201.16310	0.5
218.13962	0.5
231.13734	0.5
231.17392	0.4
236.14925	100.0
237.15263	2.5
243.17418	0.5
244.17929	0.7
303.19415	0.4
377.38831	0.3
436.37949	0.5
437.20584	0.9
438.30734	0.4
439.32001	0.9
480.36847	22.1
481.37546	1.5
498.37970	61.9
499.30914	1.1
499.32758	1.0
499.39105	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	498.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.07077	35.4
68.66344	0.8
69.07074	1.3
69.17502	5.8
71.08632	25.5
73.06560	7.5
83.08634	1.7
85.10181	21.4
87.04469	3.8
89.06031	100.0
91.07600	1.1
97.10178	3.1
99.11725	4.3
104.10712	1.8
107.07076	2.6
113.13264	1.8
117.09125	4.0
130.08629	0.8
133.08603	48.1
149.47214	0.9
155.17992	4.7
166.38222	0.9
177.11211	17.0
178.11565	1.1
199.20508	4.9
204.80472	0.8
221.13879	3.0
228.49992	0.9
239.14964	2.5
240.23247	1.1
243.23193	7.2
256.26575	0.9
259.34235	0.9
266.08926	1.0
283.17569	2.4
287.25858	2.8
327.20102	6.4
437.34683	1.0
454.84210	0.8
481.37518	10.0
491.16763	1.0
498.33386	2.7
499.34149	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	498.9775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53741	0.8
56.81356	0.7
56.96582	2.3
68.68235	0.7
70.33726	1.0
70.34074	1.7
98.23357	0.9
98.97588	20.7
116.98631	10.1
126.54565	0.7
130.93314	6.2
134.99704	3.3
148.94380	1.0
156.96695	0.7
172.94365	14.6
174.97664	3.2
188.92381	1.5
190.95409	12.8
192.98717	1.9
206.93410	3.9
208.96472	3.8
214.95465	10.0
215.95740	0.8
216.98775	2.4
224.94577	1.0
230.93394	21.9
231.93271	0.8
232.96504	29.4
232.98799	1.6
233.96835	1.3
234.99905	3.5
238.95714	1.2
248.94460	22.7
249.94403	0.8
250.97554	16.3
251.97849	1.0
254.93222	1.1
256.96631	12.2
258.99902	2.1
260.99847	0.8
261.03079	1.3
266.95419	5.3
272.94449	25.8
273.94626	1.3
274.97665	34.7
275.97858	3.0
276.98169	0.9
277.00861	4.3
279.00931	1.0
280.96738	1.6
283.00021	1.3
284.00101	1.6
285.00064	1.2
290.95508	38.1
291.95691	2.1
292.98599	10.7
296.94553	1.5
298.97754	20.4
299.97971	3.0
300.97739	1.0
301.01059	3.0
303.01007	1.8
306.93509	2.7
308.96545	8.2
310.25204	0.8
314.95493	31.5
315.95657	2.2
316.98831	29.0
317.99054	3.4
330.93518	3.0
332.96558	47.5
333.96783	3.8
335.00034	1.1
348.94580	5.3
350.97491	5.3
356.96564	6.6
359.00165	1.0
372.94586	6.7
374.97626	16.8
375.02051	1.4
390.95630	13.7
391.95947	1.4
392.98901	1.8
393.58102	0.8
396.94592	1.7
397.94989	1.2
408.96765	1.0
414.95706	9.1
415.95889	1.5
418.87491	0.8
432.96649	18.6
433.96957	1.6
438.95694	4.3
450.97626	1.5
456.96680	100.0
457.96896	14.4
474.97659	41.3
475.97833	6.8
492.99023	1.2
497.99384	2.3
498.97845	5.2
499.98129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93945	1.0
56.96559	6.5
62.09999	1.2
69.03431	1.4
71.29052	2.4
82.99877	4.0
84.96040	2.3
85.01424	2.6
85.02925	1.9
88.99136	1.3
97.02875	1.9
98.97585	30.2
98.98187	2.0
101.00885	22.3
103.02455	4.4
110.97574	10.6
112.99100	1.8
113.00844	7.4
116.98626	9.2
119.01920	28.4
121.03482	1.2
124.99148	1.2
127.02419	13.9
127.84322	1.1
128.98610	9.7
129.04001	2.1
131.01909	17.9
133.03494	3.7
134.99736	1.4
139.02426	3.9
140.98564	3.4
143.00142	3.5
143.01897	30.2
145.03471	49.9
146.03606	3.1
146.99678	2.9
147.01408	2.6
147.05003	1.5
149.01268	1.4
149.02950	1.2
152.98581	2.9
155.01895	36.0
156.98154	4.3
157.03468	20.9
158.99669	10.2
161.01340	2.5
161.02956	24.2
163.04521	4.8
167.01906	11.8
169.03491	5.7
170.99681	7.6
171.01419	10.1
171.05090	3.2
173.02962	50.0
174.03065	1.8
174.99178	18.8
175.03075	1.2
175.04575	4.7
177.00769	5.8
179.01929	5.3
182.99699	6.1
183.01231	1.3
183.05048	1.5
185.02965	50.3
186.03075	3.1
187.04541	5.4
189.00713	5.7
189.02461	8.7
191.02362	1.6
191.04048	2.0
193.00261	10.5
197.02954	19.1
199.00978	5.8
199.02689	1.2
199.04604	4.6
201.00742	18.1
201.02443	2.4
201.06154	2.3
203.03963	17.0
205.05641	2.0
209.03055	5.6
215.04018	10.2
217.00192	6.9
217.01965	59.1
217.05469	3.1
218.02113	2.8
219.01787	16.4
221.05069	9.3
227.04018	10.5
229.01981	10.5
229.05583	2.3
235.01128	2.5
235.03050	21.3
235.05121	1.6
237.02846	9.3
243.01822	4.3
245.05081	100.0
246.05252	5.8
247.01134	1.4
247.03091	14.8
247.06683	2.7
249.02850	1.4
257.05075	14.0
261.02829	19.8
263.06171	12.6
265.04416	1.7
273.02740	2.1
273.08240	2.8
275.06143	19.5
276.06186	1.7
277.04181	18.1
279.03870	10.8
291.04025	4.6
293.07175	4.2
301.04208	11.5
305.07117	10.1
307.08719	5.5
319.05389	22.4
319.08838	3.0
320.05115	2.7
321.04910	11.6
335.08234	4.0
337.06058	24.7
337.09888	7.1
351.05856	1.6
365.09396	9.4
379.07141	1.1
381.07230	3.3
399.08203	2.8
442.36954	1.3
481.08969	3.6
485.56619	1.2
499.11917	26.7
500.12656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.0
65.89488	0.6
67.05189	0.7
67.05498	3.4
69.03423	1.1
69.07079	2.0
69.58650	3.4
79.05527	1.2
79.20399	0.6
80.82861	0.7
81.03432	1.8
81.07060	3.1
85.02929	1.1
85.06521	0.8
87.00806	0.9
91.05478	4.2
93.07060	1.5
95.08607	8.9
105.07021	1.7
106.96908	0.6
107.08598	1.1
109.10152	1.1
119.08620	2.7
121.10148	0.8
131.08580	0.9
133.10159	1.4
135.08051	1.2
135.11713	0.7
137.09688	0.7
143.01085	1.0
145.10175	1.2
147.11716	1.2
153.09122	0.7
154.83528	0.6
157.10133	0.7
159.11703	1.3
167.03079	0.9
171.11795	1.0
172.65547	0.7
185.04224	1.1
189.12842	1.0
216.14679	0.7
227.05241	5.5
232.84354	0.6
242.72913	0.7
251.06796	8.0
251.16522	0.7
271.04285	9.3
279.06427	1.5
344.48346	0.7
347.07651	0.9
395.11060	0.7
413.12109	6.0
427.51093	0.7
455.13144	55.8
456.13318	3.6
460.16827	0.7
499.12100	100.0
499.28119	2.3
500.12518	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	499.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.0
57.25925	1.2
70.25413	4.3
81.03442	1.4
81.12658	1.4
82.99847	2.8
85.02905	1.4
85.25299	1.4
85.57928	1.3
95.92857	1.4
98.97643	3.0
101.00869	13.5
103.02470	4.6
113.00925	3.7
115.02436	1.7
119.01923	19.7
127.02413	11.7
129.04045	1.5
131.01935	11.7
131.35719	1.3
133.03500	1.6
139.02438	2.0
143.01886	19.8
145.03461	32.4
147.01395	2.0
153.55101	1.6
155.01891	25.8
157.03491	11.3
161.02966	15.7
163.04578	3.0
167.01880	8.9
169.03496	4.0
171.01453	4.9
171.05101	2.4
173.02951	33.7
174.03149	2.3
175.04655	3.8
179.01888	2.6
181.03589	1.9
183.01407	1.6
185.02969	31.9
185.04501	2.4
186.03227	1.5
187.04616	5.8
189.02521	5.7
197.02863	10.4
199.00923	3.4
199.04623	3.0
201.02547	1.8
203.04019	12.6
209.03067	2.1
215.04060	4.8
217.01939	40.4
217.03816	2.6
217.05411	2.2
218.02155	2.5
219.01855	3.5
221.05019	6.8
227.03906	7.8
229.02069	6.1
229.05595	1.5
235.03000	12.5
237.02966	1.4
245.05074	69.8
246.05342	4.2
247.02962	11.5
247.06709	2.8
252.08470	1.6
253.04225	1.6
257.05038	7.5
263.06113	8.6
265.04297	2.7
273.08185	2.1
275.06097	9.3
276.06302	1.7
277.03979	11.9
291.09180	1.7
293.07355	2.5
301.04007	9.6
305.07251	8.1
307.08780	3.3
308.08914	2.0
319.05258	14.3
319.08551	2.6
335.08472	1.9
337.06287	15.7
337.09866	7.6
365.09061	7.1
379.07092	2.1
499.14264	100.0
500.14484	5.4
505.06772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2153
Annotation	Conivaptan
Peak:m/z	Relative Intensity
50.48200	0.4
53.84046	0.4
55.01879	0.4
55.05509	1.2
67.05484	0.8
69.03445	0.9
69.07047	1.0
69.10535	2.8
69.10947	1.0
69.28206	0.3
71.04978	0.7
72.90622	0.4
74.67609	0.3
76.87894	0.3
79.05516	0.7
81.07070	2.0
83.04980	0.4
83.08612	0.5
85.02910	0.6
85.06528	0.9
91.05473	0.9
93.07048	1.7
93.07567	0.4
95.04947	0.6
95.08612	2.2
99.04472	0.5
105.07030	1.2
107.08595	1.1
109.06544	0.8
109.10158	1.3
111.04433	0.4
119.08588	1.5
121.06528	0.5
121.10160	1.1
127.03957	0.7
131.08548	0.7
133.10129	1.3
135.11678	0.9
137.09605	0.7
143.08604	0.5
145.10146	0.9
147.04436	0.7
147.11685	0.7
149.02330	0.5
149.13116	0.4
149.95033	0.4
159.11748	1.2
161.06131	0.4
164.08023	0.4
171.08038	0.5
173.09541	0.4
173.13371	0.6
175.14842	0.6
177.09143	0.5
185.04202	0.5
189.05521	0.5
189.12634	0.4
203.05334	0.6
203.14291	0.6
227.05418	0.4
233.15207	0.7
245.06464	1.3
246.07053	0.4
251.16229	5.9
279.15613	3.2
289.05392	0.4
293.17206	0.7
395.20596	1.1
412.92352	0.4
413.21463	12.9
414.21997	0.6
437.21341	0.6
455.22540	32.8
456.22897	2.2
499.21518	100.0
500.14587	0.5
500.21799	6.3
500.28671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01872	8.0
55.05511	14.4
56.99319	2.9
57.03437	3.0
57.07068	4.1
65.03937	3.6
67.05502	26.4
69.03426	9.2
69.07079	22.4
71.05014	13.8
71.05349	2.9
71.39630	2.5
77.46905	2.6
79.05502	17.5
80.00602	2.4
81.03424	4.7
81.07056	36.0
83.05008	4.6
83.08609	6.2
85.02905	7.8
85.06523	3.5
85.52679	2.9
91.05490	34.5
93.07054	36.2
95.04962	8.5
95.08605	48.1
97.06535	8.7
97.10155	2.7
99.08095	5.9
103.05450	5.5
105.07033	64.3
107.04964	2.8
107.07961	3.7
107.08610	47.4
108.89040	2.8
109.02863	3.0
109.06511	6.9
109.10152	28.9
111.08098	6.6
115.05446	4.9
117.07034	15.6
119.08586	100.0
119.09453	5.0
121.06525	10.3
121.10143	26.4
123.08054	11.7
123.11718	7.7
125.09561	3.8
127.03925	3.3
128.06229	16.2
129.07022	16.5
130.07819	6.1
131.08572	53.8
132.02657	2.6
132.86855	2.9
133.10129	47.2
135.08055	10.2
135.11678	10.7
137.06036	2.8
137.09595	8.4
139.07581	3.2
141.06992	9.3
142.07843	14.3
143.08563	36.1
144.09291	4.3
145.06467	4.2
145.10120	89.6
147.08041	9.8
147.11691	23.3
149.09677	6.7
149.13300	4.5
150.05426	3.8
151.11215	2.9
153.07027	3.8
155.08557	14.1
156.09352	13.8
157.10124	56.8
158.10837	6.7
159.11700	61.1
161.09572	8.6
161.13237	24.5
163.07524	7.4
163.11186	8.6
163.14841	6.1
165.07007	4.5
168.09384	3.0
169.10130	24.5
170.10912	24.6
171.08089	4.6
171.11708	38.5
172.12425	5.5
173.13266	50.5
175.11205	4.7
175.14819	24.9
177.12764	8.0
177.16490	3.4
179.14343	4.8
181.10127	8.9
182.10988	5.1
183.11681	58.0
184.12259	2.8
185.09648	4.6
185.13263	82.3
187.07536	3.8
187.11176	4.0
187.14818	77.3
189.12727	13.5
189.16425	9.6
191.10509	2.7
191.14262	17.7
193.10143	3.3
194.10925	3.0
195.11647	8.4
196.12430	3.0
197.13277	19.7
199.14809	47.4
201.12686	6.5
201.16389	30.4
202.16628	3.4
203.14281	13.6
205.12178	4.1
205.15948	3.7
209.13297	10.1
211.14781	27.0
212.15329	4.6
212.52463	3.4
213.12770	5.6
213.16324	17.5
215.14268	7.4
215.17969	5.1
217.12242	4.2
217.15894	12.0
219.13828	6.6
223.14783	5.9
225.16382	9.5
227.14299	4.4
227.17958	5.7
229.05853	3.2
229.15938	6.7
231.13809	8.9
231.17528	4.2
233.15366	4.9
237.16411	9.9
239.18021	9.2
241.15955	3.4
241.19592	5.4
245.15358	13.8
251.12662	6.3
253.19576	7.7
257.15335	3.7
259.17068	3.4
265.19495	7.8
267.21039	7.7
275.16504	3.3
307.24069	7.7
311.14639	10.4
319.24033	2.9
337.13089	4.9
351.23044	5.3
353.15790	13.4
373.28867	5.8
388.62253	2.7
389.28400	10.2
391.30060	16.5
401.28229	4.6
407.29471	6.8
417.27988	17.8
419.29425	10.6
435.28903	52.2
436.28958	4.5
437.30438	12.1
445.27325	5.1
453.30154	24.2
454.30411	4.7
455.22644	7.8
463.28186	16.1
481.29559	27.1
499.17493	92.9
499.29660	23.1
500.18140	8.9
500.30511	5.4
500.37424	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.7
55.05510	8.2
57.07067	2.8
59.04979	2.3
67.05510	14.3
69.07069	18.8
69.10870	7.5
69.11287	4.6
71.01356	1.6
79.05492	10.7
81.07063	28.5
83.08612	7.1
85.06516	1.8
91.05473	12.9
93.07053	30.0
95.04951	4.5
95.08611	41.8
97.06536	1.5
97.10169	3.2
98.23324	3.1
105.07041	23.7
107.08601	38.0
109.06506	2.7
109.09451	2.1
109.10155	28.6
111.08065	3.3
111.11689	3.0
117.06984	5.6
119.08590	45.0
119.42939	1.4
121.06470	6.3
121.10153	33.7
123.08021	6.1
123.11732	16.2
128.06107	2.0
129.06966	1.9
131.08562	13.3
133.06436	1.4
133.09258	1.7
133.10144	31.2
135.07999	6.8
135.11693	22.0
137.09618	2.3
137.13260	7.3
139.07487	3.4
139.11147	2.8
142.07729	2.0
143.08586	7.9
145.10126	21.8
147.08017	3.5
147.10657	1.7
147.11697	25.0
149.09557	5.2
149.13280	8.7
151.11185	2.4
151.14812	2.3
156.09319	2.9
157.10175	9.5
159.08023	1.7
159.11736	17.2
161.09607	3.2
161.13260	17.8
163.11168	2.0
163.14825	3.6
165.12791	2.0
169.10072	3.7
170.10783	1.6
171.11703	11.0
173.09561	3.6
173.13258	16.2
175.11099	5.1
175.14815	13.0
177.12691	4.3
177.16270	5.4
179.14221	1.6
183.11679	4.4
184.12228	1.7
185.09518	2.5
185.13286	7.3
187.11066	4.1
187.14824	12.6
189.12775	7.8
189.16380	27.3
190.16473	1.5
191.14215	2.6
191.17946	9.5
193.15887	1.6
195.11624	1.7
197.13217	5.0
199.11143	1.5
199.14743	6.8
201.12666	1.9
201.16423	9.0
203.14316	3.6
203.17986	7.7
205.15858	2.6
209.13069	2.2
211.14786	2.7
213.12842	1.7
213.16273	3.5
215.14218	3.8
215.17841	6.6
217.12166	4.2
217.15916	9.1
217.19466	3.0
219.17355	3.1
225.16367	2.2
227.14273	2.2
229.15787	2.7
231.13771	2.3
231.17358	4.4
233.15340	9.3
235.16830	5.4
239.17874	3.6
241.15695	2.0
241.19301	2.5
243.17397	3.5
243.21106	1.6
245.18857	2.2
249.18260	2.2
251.17836	1.6
255.21085	2.0
257.22662	6.9
259.16910	2.1
261.18399	2.1
267.21078	2.5
271.20389	2.4
279.20920	1.7
285.22018	2.2
375.30267	1.7
393.31830	7.6
403.29529	4.9
409.30984	2.0
421.30563	19.5
421.35764	1.6
439.31564	14.3
453.33261	3.4
481.36154	17.3
489.21814	1.5
499.33746	100.0
500.34009	9.7
509.60202	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	499.3782
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
53.03959	1.6
55.05507	7.2
57.07071	4.6
62.97462	1.0
67.05505	10.8
67.69572	1.3
69.07066	11.9
69.11642	3.1
69.12059	8.9
79.05478	9.4
81.07059	28.3
83.08620	4.8
84.47023	1.3
85.06536	4.0
91.05490	14.4
93.07047	29.3
95.04977	3.8
95.08610	39.6
97.06496	1.9
99.08085	26.4
105.07028	29.1
107.08592	45.0
108.14095	1.1
109.06538	5.3
109.10159	21.6
113.09621	1.6
115.07559	1.2
117.07061	4.1
119.08585	71.5
120.08941	2.1
121.06479	2.3
121.10143	25.9
123.08057	6.3
123.11703	9.1
129.06981	1.9
130.25974	1.2
131.08559	10.4
133.10138	38.8
134.10464	1.6
135.08061	5.3
135.11688	51.0
136.12035	1.3
137.09616	4.1
137.13266	3.2
139.11223	1.6
143.08600	5.5
144.09386	3.2
145.10112	19.2
146.10942	1.2
147.08067	3.9
147.11697	27.0
149.09621	2.5
149.13275	6.8
151.11162	2.4
156.09283	1.7
157.10147	10.3
159.11691	22.5
161.09608	3.6
161.13251	15.3
163.11212	6.1
163.14847	5.6
169.10139	2.5
171.11656	9.1
173.13297	11.5
175.11174	2.6
175.14827	11.2
177.12741	1.7
177.16504	3.3
183.11687	2.5
184.12488	1.5
185.13277	5.2
187.14796	7.6
189.16386	100.0
190.16789	3.4
191.18007	4.1
197.13348	2.3
199.14789	9.6
201.16396	5.5
203.14375	1.6
203.17972	5.4
207.17438	6.6
211.14871	3.0
213.16373	6.8
215.18073	2.4
217.15903	19.6
217.19458	2.9
219.17477	2.4
225.16345	1.8
227.18018	3.0
229.19420	1.5
231.17447	4.1
233.19072	1.8
235.16936	21.9
239.17966	1.8
241.19624	1.6
245.19130	1.4
249.18492	3.5
267.21167	1.9
281.22543	1.5
308.75339	1.3
349.29004	1.5
373.27289	1.6
379.33783	2.7
387.28989	5.5
403.33627	2.9
421.34677	11.2
425.30307	1.7
439.35852	9.4
440.35806	1.3
463.35672	2.6
481.36819	17.8
499.37805	88.0
500.38281	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	499.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13597	1.4
53.03954	2.0
55.01884	1.6
55.05519	11.5
57.07078	4.5
67.05510	15.6
69.03426	3.4
69.07071	29.3
69.19529	12.0
71.04996	1.7
77.03917	1.5
79.05503	14.1
81.07058	33.6
82.07435	1.5
83.05009	2.4
83.08630	11.2
85.06548	1.9
91.05473	15.5
93.07050	38.1
93.07620	2.5
95.04993	3.8
95.08611	63.5
96.08955	2.1
97.06562	2.5
97.10214	3.5
98.23509	2.1
99.08092	8.3
105.07037	24.3
105.07671	2.3
107.04961	1.6
107.08600	52.9
109.06545	6.5
109.10155	32.4
111.06872	1.6
111.08131	5.4
111.11710	11.4
117.07022	3.7
119.08580	37.5
120.08929	1.9
121.06497	20.3
121.07198	1.7
121.10146	54.0
121.11001	2.8
122.10526	2.2
123.08057	10.9
123.11710	22.0
123.12537	2.1
125.06078	1.5
125.09692	3.1
127.07613	1.9
129.07060	2.1
131.08572	9.0
133.10133	21.5
135.08044	18.3
135.11705	17.7
137.09689	5.7
137.13257	18.7
142.07813	1.6
143.08569	3.7
145.10132	19.4
147.08109	5.4
147.11684	13.7
149.09627	49.6
149.13254	16.5
150.10097	2.2
151.11237	6.2
151.14790	2.3
157.10205	7.0
159.08139	4.1
159.11710	16.5
161.09583	10.1
161.13316	8.0
163.11180	12.8
163.14870	5.0
165.12758	2.6
167.10631	1.8
167.14326	12.1
169.10272	3.6
171.11758	5.6
173.09680	5.2
173.13257	9.0
175.11156	11.1
175.14774	8.4
177.12859	3.7
177.16391	27.8
182.10913	1.5
183.11801	5.0
185.13321	4.3
187.11243	5.6
187.14886	8.4
187.30963	1.5
189.12755	9.6
189.16354	9.8
195.17445	14.3
197.13351	2.5
199.14908	2.8
201.12865	6.0
201.16376	19.0
201.17860	1.5
202.16853	2.2
203.14401	4.9
203.18008	3.8
205.15916	1.8
211.14890	3.7
213.16461	4.4
215.14305	8.2
215.18074	5.3
217.15923	5.1
221.15384	1.6
223.16920	12.4
225.16455	1.8
227.18007	4.2
229.15968	7.3
229.19597	2.0
233.15500	2.7
239.18166	2.3
243.17426	21.2
243.21191	2.9
253.19551	2.8
257.19150	5.4
257.22644	1.5
261.18585	2.4
271.20554	24.5
272.21005	3.0
281.22736	2.0
285.22220	3.8
289.21759	6.5
299.23804	1.8
303.19690	12.4
303.23288	5.7
317.21143	9.5
317.24518	1.6
331.22720	21.6
359.25995	4.0
379.30630	1.6
421.35001	8.3
439.36060	27.0
455.35745	2.1
457.33151	3.2
481.37173	8.5
499.38000	100.0
500.38254	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	499.3784
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
52.93902	7.8
55.05509	12.4
57.07086	9.2
63.01384	8.8
67.05496	12.5
69.07056	20.7
71.32295	11.1
79.05504	16.6
79.92010	7.5
81.07058	40.6
91.05482	22.1
93.07030	29.0
95.08604	45.9
99.08096	15.9
105.07027	27.0
107.08616	45.7
109.10152	31.5
119.08561	64.0
121.06522	37.0
121.10154	38.9
123.08145	9.1
123.11714	26.8
131.12631	9.0
133.10139	41.0
135.11694	55.0
135.86594	8.1
145.10144	31.6
147.11642	28.9
157.10127	19.3
159.11667	20.0
161.13200	10.3
171.11665	14.5
173.13231	14.6
175.14877	25.0
187.14819	14.4
189.16452	59.2
201.51883	9.6
213.16534	9.8
217.15884	12.9
227.48938	9.0
235.16887	21.6
243.17432	33.9
303.19614	15.6
421.34714	15.9
439.35672	18.2
449.19278	10.8
481.36743	28.5
499.38223	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.0
55.05515	35.8
57.07074	3.8
59.05009	2.6
59.22005	1.9
67.05511	21.6
69.01746	20.0
69.03452	2.8
69.07067	25.8
71.08629	2.6
79.05501	14.7
81.07060	47.9
83.08624	45.8
85.78622	2.2
91.05483	23.8
93.07049	42.7
94.87305	1.9
95.04978	2.3
95.08607	66.8
97.06551	2.2
97.10188	6.0
98.02694	2.1
98.23372	4.9
99.08112	13.9
105.07034	48.4
107.08601	61.5
109.06548	8.2
109.10157	42.5
109.34870	1.8
111.08123	6.3
111.11755	2.7
113.09690	2.4
114.05769	2.2
117.07040	6.4
119.08584	67.9
119.09443	3.8
120.09000	2.5
121.06567	2.4
121.10151	59.5
123.08064	12.5
123.11712	23.8
125.09674	3.1
127.07552	3.1
127.11215	2.2
129.07019	2.7
131.08554	14.8
133.06534	2.3
133.10130	57.9
135.08090	8.9
135.11694	47.8
137.09686	8.9
137.13292	7.9
139.07549	2.7
143.08612	8.3
145.10130	31.0
147.08102	4.8
147.11697	59.6
149.09608	15.0
149.13269	22.0
151.11214	3.9
151.14874	3.1
157.10086	12.0
158.10857	2.2
159.11699	25.6
161.09674	6.4
161.13277	23.9
163.11142	9.7
163.14854	10.5
165.12666	2.3
169.10205	3.7
171.11700	11.0
173.09682	3.1
173.13292	16.2
175.11238	4.8
175.14810	17.9
177.12802	3.7
177.16476	7.9
183.11722	2.7
185.13350	6.1
187.14790	15.6
189.16388	100.0
190.16721	4.6
191.17990	12.5
193.15862	2.5
197.13318	2.7
199.14967	8.4
201.16396	17.6
203.14377	2.3
203.17975	12.8
204.33873	2.2
205.16029	4.0
205.19609	4.2
207.17488	6.9
211.15034	3.6
213.16451	8.2
215.14476	2.0
215.17940	12.8
217.15883	33.0
219.17422	24.4
225.16338	2.8
227.18021	6.3
229.15913	2.8
229.19576	3.8
231.17549	8.2
233.19145	7.0
235.16959	20.8
241.19606	4.0
245.19157	2.6
249.18510	12.8
257.22583	3.1
265.19928	2.3
273.22128	2.3
285.22217	4.3
325.06445	2.0
351.30518	4.9
373.27350	4.2
374.38806	2.0
387.29007	7.0
393.35205	2.1
403.33725	7.6
411.32489	9.6
413.30972	3.0
421.34683	32.3
422.35001	3.0
439.36053	17.2
463.35602	4.5
471.38419	27.6
481.36832	24.7
499.37869	96.1
500.38049	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	499.3786
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
55.05522	7.7
57.07075	3.9
63.06280	2.6
65.21886	2.8
66.12426	2.7
67.05508	18.6
69.07063	18.9
69.34678	2.5
70.11311	2.5
70.57351	6.8
73.69450	3.0
79.05515	11.6
81.07060	34.5
82.25047	3.1
82.32095	2.8
83.08640	8.3
91.05506	11.2
93.07039	22.8
95.05019	3.4
95.08613	68.0
97.10184	3.1
105.07035	21.6
107.08607	42.3
109.06516	6.2
109.10172	38.3
111.08075	5.6
111.11764	5.2
117.07046	3.7
117.09333	3.2
119.08585	31.3
121.06557	3.5
121.10164	45.9
122.56793	2.7
123.08083	6.4
123.11710	17.1
131.08575	9.4
133.10133	32.1
135.08070	6.5
135.11719	36.0
136.11974	4.1
137.09654	3.9
137.13290	10.6
143.08624	4.9
145.10085	18.5
147.11676	18.1
149.09622	5.3
149.13292	9.1
151.07796	3.1
151.14871	3.2
155.08606	2.8
157.10152	4.3
159.11717	14.6
161.09641	7.3
161.13248	14.5
163.11299	4.9
163.14877	5.6
169.10136	4.5
171.11722	6.7
173.13234	15.2
175.11156	3.4
175.14899	12.3
177.13063	2.5
177.16348	5.5
183.11852	3.1
185.13365	4.3
187.14780	14.3
189.16423	20.4
190.61023	2.7
191.14340	3.9
191.18034	14.3
199.14894	6.7
201.16451	13.1
203.18007	6.0
205.15831	5.1
205.19455	3.1
213.16510	4.9
215.18022	3.6
217.15945	8.3
217.19542	4.0
219.17444	14.4
223.23680	3.1
229.15945	4.8
229.19490	3.2
231.17563	3.3
239.17935	3.2
243.21159	3.3
247.16847	4.2
257.22708	4.2
283.20883	3.5
283.24319	3.8
327.26871	7.2
370.45840	3.1
388.84351	3.5
403.33755	6.7
421.34644	79.7
422.35287	8.0
439.35712	47.5
440.35910	4.8
455.35278	5.0
460.07010	3.3
481.36670	20.1
499.37851	100.0
500.38181	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3782
Annotation	Hypocrellol E
Peak:m/z	Relative Intensity
55.05505	3.7
57.07060	1.2
67.05513	4.7
69.07067	8.3
70.57315	2.5
75.49433	0.9
79.05495	3.0
81.07057	10.1
83.08596	1.4
91.05505	1.9
93.07025	6.4
94.35396	0.8
94.63951	1.0
95.04964	2.3
95.08611	21.5
97.06546	1.1
97.10175	1.1
105.07041	7.0
107.08600	12.6
109.06492	2.0
109.10155	9.5
111.11737	1.7
115.49479	0.8
117.07035	1.1
119.08584	19.5
121.10152	11.2
123.08066	3.5
123.11694	5.6
131.08566	2.2
133.10136	21.2
135.08060	3.5
135.11702	11.1
137.09605	2.8
137.13257	2.8
143.08595	1.3
145.10159	5.8
147.11690	6.3
147.92429	1.0
149.09601	2.0
149.13260	4.8
157.10132	2.8
159.11697	4.5
161.09671	2.6
161.13306	8.2
163.11226	1.8
163.14842	1.7
171.11754	1.8
173.13237	7.6
175.14827	87.6
176.15222	4.4
177.12733	1.4
183.11751	1.5
185.13274	1.5
187.14810	5.3
189.16335	6.0
191.17987	2.6
201.16464	1.3
203.14311	1.9
203.18001	1.4
215.14366	5.3
215.17957	2.9
217.15912	3.2
219.17462	3.5
225.16559	1.3
233.19067	1.8
241.19461	1.0
243.21138	1.3
247.20871	0.9
257.22662	1.9
259.20474	1.1
261.22159	1.6
265.19476	1.2
273.22131	1.2
283.20502	2.3
299.23682	4.5
313.25412	1.8
327.26740	5.2
393.35330	1.5
403.33655	5.6
421.34650	100.0
422.35052	10.9
439.35663	17.4
440.36337	1.8
481.36768	16.1
482.37054	1.4
499.37897	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	499.3785
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
55.05499	28.9
57.07071	9.5
62.06089	20.7
67.05505	37.6
69.07071	66.1
69.44875	20.9
69.45281	39.4
79.05483	16.8
81.07070	87.7
83.08617	25.7
91.05465	27.4
93.07035	65.8
95.08614	100.0
97.10163	13.5
100.94002	9.6
105.07053	63.4
107.08577	90.0
109.06481	11.4
109.10152	78.1
119.08572	91.2
121.06520	72.6
121.10152	80.2
123.08072	32.4
123.11740	59.2
131.08580	12.3
133.10150	52.7
135.08051	32.9
135.11711	56.7
145.10130	31.9
147.11681	28.6
149.09628	18.6
149.13263	18.6
157.10133	13.4
159.08060	13.7
159.11670	23.2
161.09654	24.9
161.13251	20.6
163.14818	21.2
172.12044	10.1
173.09662	9.6
173.13272	20.0
175.11253	15.4
175.14742	23.0
177.16420	10.3
187.14804	19.2
189.16415	49.5
191.18028	21.9
195.17017	9.4
199.14832	15.0
203.17943	14.6
205.19621	21.8
217.15924	27.8
231.21190	12.1
235.16893	17.7
243.17386	63.6
303.19617	23.3
304.78696	10.1
393.34494	10.2
421.34518	23.2
439.35779	13.7
481.36948	60.6
499.37772	94.2
499.49261	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	499.3784
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
55.05519	5.1
57.07080	4.5
65.03961	2.9
66.80041	2.4
67.05512	14.8
69.07072	17.3
69.17371	7.1
69.17787	9.9
79.05498	10.3
81.07064	29.3
83.08639	4.7
90.40370	2.2
90.94070	2.2
91.05509	8.8
93.07054	22.0
94.07305	2.0
95.04994	2.8
95.08613	50.4
97.10165	3.5
98.23404	4.1
105.07046	21.6
107.08607	41.9
107.09294	3.6
109.06535	6.3
109.10162	30.9
111.08111	2.6
111.11739	6.1
114.48989	2.3
117.07023	2.5
119.08590	28.4
121.06560	5.6
121.10145	36.1
123.08099	5.3
123.11723	14.9
131.08597	7.9
133.10132	30.4
135.08084	7.8
135.11696	28.3
137.09579	3.8
137.13278	6.9
143.08575	4.9
145.10156	13.8
147.11696	17.0
149.13271	9.1
157.10214	5.9
159.11716	10.6
161.09586	4.8
161.13242	9.7
163.11206	3.0
163.14877	8.1
171.11702	4.9
173.01265	1.9
173.09709	2.0
173.13313	8.3
175.11275	2.5
175.14861	8.6
177.12825	3.0
177.16437	5.7
179.18152	2.3
185.13295	6.0
187.14830	10.4
189.16362	16.5
191.14212	2.3
191.17987	9.3
192.29532	2.4
197.13257	3.4
199.14909	4.8
201.16444	8.5
203.17989	5.8
213.16428	4.7
215.14365	3.4
215.17998	2.1
217.15938	4.7
217.19533	4.1
219.17468	10.8
229.16040	3.4
229.19568	2.6
231.21222	2.5
241.19603	3.2
243.21069	4.8
247.17058	4.3
257.22800	2.7
259.27490	2.4
283.24149	2.5
327.26886	6.4
378.71985	2.2
403.33673	6.5
421.34647	64.3
422.35046	9.6
439.35730	34.7
440.36243	3.8
455.35248	7.3
481.36786	17.6
483.15186	2.2
499.37836	100.0
500.37726	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	499.3784
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
53.91055	4.3
55.05507	13.5
57.07068	8.0
63.54768	3.6
67.05501	31.0
68.95081	4.5
69.03394	3.7
69.07072	35.9
69.58957	8.2
69.59358	14.3
79.05497	16.8
81.07050	44.5
82.82694	3.5
83.08628	15.9
84.27676	3.5
85.92683	4.3
87.21419	3.7
91.05465	16.0
93.07046	36.2
95.04967	12.9
95.08606	94.8
97.06508	6.0
97.10170	5.9
99.08084	4.8
105.07018	30.9
107.08591	56.5
109.06511	4.1
109.10162	57.4
115.95760	3.5
117.06998	6.0
119.08572	42.4
121.06535	6.3
121.10142	70.8
123.08073	10.9
123.11715	31.0
131.08574	13.8
131.30519	4.0
131.31714	4.1
133.10115	41.1
135.08035	10.7
135.11690	32.8
137.09612	5.6
137.13264	10.8
142.88298	3.6
143.08607	7.2
145.10098	20.1
147.11662	21.1
149.09624	16.3
149.13263	21.6
157.10104	7.9
158.10953	4.4
159.11725	27.9
161.09653	6.6
161.13271	19.3
163.11200	5.6
163.14839	6.9
169.10147	4.3
171.11716	4.9
172.12540	4.1
173.09697	3.8
173.13271	18.1
175.11256	7.4
175.14810	21.0
177.12714	4.0
177.16408	9.0
184.08951	4.8
185.13434	4.7
187.11118	5.9
187.14890	12.4
189.16359	25.0
191.17935	36.0
199.14832	7.9
201.12631	4.6
201.16399	18.9
203.18019	12.1
205.19530	4.5
206.38274	4.1
215.18016	5.0
217.15811	7.3
217.19545	4.3
219.17462	37.0
225.16347	4.9
229.15851	11.1
235.16881	8.8
243.17467	8.9
247.16939	31.2
249.18489	4.0
269.18771	4.1
287.23511	5.9
303.23129	4.7
403.33588	9.3
421.34625	44.8
439.35822	37.3
440.35559	5.3
481.36603	14.2
499.37772	100.0
500.37897	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	500.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54419	0.6
53.86513	0.7
54.63486	0.7
55.01868	3.6
58.99584	8.9
66.93572	0.6
68.96382	0.7
69.34766	1.0
69.35173	3.4
70.06597	0.9
76.02231	39.9
79.05495	9.1
81.03429	0.9
81.07053	1.8
84.04502	10.2
86.99060	1.6
91.05487	3.9
93.07050	1.6
95.04963	2.3
95.08601	1.3
96.70264	0.6
99.35093	0.6
102.05480	0.8
103.05476	9.6
105.07034	71.4
106.07343	2.2
107.08581	1.4
109.10161	0.7
115.05447	15.3
116.01685	9.6
117.06998	0.9
118.04137	4.9
119.08596	3.0
121.10103	0.9
128.06200	0.8
129.06949	0.7
130.05006	5.4
131.04936	2.7
131.08566	1.9
132.05719	0.7
133.06494	60.6
133.10129	1.5
134.06812	1.9
142.03166	3.8
142.45157	0.6
143.06033	4.6
143.08585	1.5
144.01123	4.7
145.10136	3.1
147.11665	1.4
155.08571	0.8
157.10162	1.9
159.11700	2.5
161.05983	100.0
161.13335	1.0
162.02196	19.0
162.06293	3.9
168.09201	0.7
169.10063	0.8
170.02689	1.3
171.11694	1.5
173.13257	2.1
175.14865	1.0
179.04855	40.1
183.11545	0.9
185.13242	2.7
187.05380	1.4
187.14867	2.3
189.12711	1.1
193.08603	55.3
194.08968	2.1
199.14705	1.2
203.14346	2.1
207.12074	0.8
213.12662	0.9
215.04877	1.1
215.14162	0.8
217.15927	1.4
219.13803	1.3
227.14291	0.8
233.05917	10.7
245.05989	1.9
291.06415	1.5
301.13907	0.8
308.09103	35.0
308.12653	1.7
308.96576	0.8
309.09247	1.5
338.09213	0.7
389.28412	0.9
419.29337	0.9
437.60080	0.8
465.29819	0.9
501.32175	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	500.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	22.7
55.01875	35.7
55.05517	10.0
57.03427	5.2
59.43394	4.3
60.10131	4.0
61.02943	7.0
65.03951	26.9
67.05514	12.4
68.99776	5.2
69.03436	33.1
69.22581	24.9
71.04999	100.0
73.02916	6.8
79.05498	20.3
81.03415	57.3
81.07063	10.4
85.02904	54.4
85.06551	19.4
87.00831	26.2
91.05483	46.4
93.07036	7.3
95.01351	6.5
95.04984	12.2
95.08606	6.1
97.02901	17.5
97.06527	10.7
99.04472	11.9
103.05457	36.3
105.01846	24.5
105.07031	31.8
107.04970	11.9
107.08602	6.6
109.02896	25.7
111.04464	4.9
111.08084	70.1
115.05439	28.3
115.07560	9.0
117.07014	20.6
119.04932	6.6
119.08604	6.0
121.06480	5.2
127.03937	29.8
128.06230	74.4
129.07036	61.9
129.63448	4.3
130.07784	6.6
131.04942	8.8
131.08582	13.0
133.06493	14.6
133.10164	5.5
134.07289	13.4
137.05997	13.7
141.06993	21.9
142.07809	11.3
143.04959	5.1
143.08546	35.3
145.05049	13.4
145.06505	19.0
145.10117	7.4
147.08081	6.0
153.07011	14.5
154.07780	7.2
155.06119	6.1
155.08588	23.4
156.09328	5.7
157.06511	14.3
157.10168	6.3
158.07248	12.6
159.02931	11.6
159.08015	7.8
161.05998	14.8
161.09663	5.9
165.07010	12.8
166.07848	7.3
169.10176	13.4
171.08075	18.9
171.11604	6.7
175.07454	5.6
199.11169	82.3
203.14211	4.2
217.12262	43.3
259.13309	4.7
263.90228	5.3
486.18750	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	500.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	33.5
55.01873	50.5
55.05518	9.4
56.00369	4.1
61.02922	9.2
65.03940	18.3
67.05514	15.5
69.03439	41.4
69.31805	27.5
71.04991	100.0
79.05486	26.0
81.03419	71.4
85.02903	64.0
85.06544	18.2
87.00819	40.9
91.05494	46.6
93.07054	13.6
95.04992	7.1
95.08627	5.0
97.02893	37.2
97.06517	6.0
99.08137	6.9
103.05460	33.5
105.01852	23.5
105.07035	37.7
107.04960	9.2
109.02871	19.4
109.06540	5.3
111.08082	69.5
115.05443	20.5
115.07569	12.5
116.06229	7.0
117.01884	5.9
117.07037	21.7
119.08596	13.3
127.03898	35.6
128.06223	55.7
129.07027	47.3
130.07773	4.9
131.04994	5.1
131.08585	18.3
133.06477	10.8
133.10068	4.5
134.07265	6.9
135.08044	7.8
141.07008	26.5
142.07817	12.8
143.08537	30.5
145.04973	16.3
145.06479	15.2
145.10117	10.1
147.08076	12.8
153.06998	15.2
154.07834	11.6
155.06067	6.7
155.08559	16.8
157.06497	12.9
157.10147	6.0
158.07292	6.0
159.02885	8.2
159.08101	10.8
161.05940	5.7
165.07031	10.9
166.07745	9.3
169.10136	12.5
170.07312	6.6
171.08061	20.0
171.11682	6.8
173.09583	9.8
196.79292	4.9
199.11209	79.7
217.12202	40.5
231.04987	6.1
242.82005	5.0
331.79132	4.8
456.01123	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	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02073	2.1
53.03946	16.6
55.01876	17.6
55.05510	15.3
57.03427	9.5
61.02918	10.0
65.03937	8.5
66.63026	2.5
67.05502	24.7
68.99782	4.2
69.03433	55.8
69.07058	7.1
71.04994	21.7
73.02911	6.6
79.05508	28.8
81.03420	37.1
81.07063	14.3
83.04991	5.2
83.08616	5.8
85.02909	100.0
85.06551	6.2
87.00832	42.1
91.03946	2.8
91.05476	40.8
91.06007	4.1
92.05831	4.0
93.02889	2.3
93.03399	15.1
93.07043	16.4
95.04998	14.6
95.08616	14.3
96.08964	4.5
97.02904	31.0
97.06528	4.2
98.23586	3.1
98.23808	2.1
99.04457	15.1
100.11266	8.5
103.05456	10.9
105.01876	42.0
105.07040	32.2
106.07360	4.9
107.04947	4.9
107.08615	14.2
109.02889	33.8
109.06516	4.2
109.10162	5.0
111.04433	8.2
115.05460	30.7
117.01829	5.9
117.06993	17.7
119.04976	6.6
119.05917	2.2
119.08593	18.0
120.08875	5.5
121.06496	7.7
121.10103	4.8
122.10480	3.6
123.08044	5.2
127.03911	56.3
127.05394	4.3
127.07564	4.1
128.06236	74.2
128.07071	2.5
129.01807	4.0
129.07025	64.8
130.07796	3.1
131.04904	4.5
131.08607	15.8
133.06506	6.8
133.10136	10.5
134.10468	4.9
135.08055	4.1
137.05974	4.9
141.06987	22.2
142.07831	15.5
143.08572	24.9
144.08911	2.7
145.04999	22.2
145.06459	18.3
145.10091	13.9
146.10489	4.4
147.08052	8.4
147.11711	5.0
152.06226	4.7
153.05879	3.5
153.07010	33.2
154.07747	16.8
155.06039	9.7
155.08559	59.5
156.09276	8.7
157.06499	11.1
157.10135	16.6
158.10413	3.2
159.02896	16.1
159.11694	6.2
160.12004	3.4
161.13342	3.2
165.07019	14.9
166.07814	11.9
167.08623	3.4
169.06490	5.8
171.08095	12.8
171.11700	4.1
173.09607	4.8
173.13280	6.8
175.11115	3.9
175.14763	5.5
176.15233	4.5
182.15372	8.6
185.09671	3.3
185.13188	3.0
187.14833	8.8
188.15164	8.2
189.12715	3.1
189.16399	3.8
199.11205	38.1
199.14832	7.6
201.12646	3.3
201.16435	5.7
202.16798	3.0
203.14351	13.7
204.14693	7.5
206.16260	3.6
209.16461	3.0
210.14961	6.5
213.09073	3.0
214.16605	3.6
217.12251	8.9
217.15961	4.8
228.15907	8.0
229.66309	3.0
231.05038	11.5
231.13889	2.6
241.12253	3.7
241.19609	3.1
256.15518	6.3
259.13306	6.1
285.42520	2.8
408.29544	3.0
415.19519	4.3
418.28174	3.1
436.29099	7.5
454.30161	4.5
456.23169	2.8
456.32062	3.4
457.20547	15.3
464.28302	3.6
472.17392	2.9
482.31491	5.9
500.24695	2.6
500.31967	8.4
501.19186	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	500.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59260	0.2
60.96138	0.3
69.03421	0.5
69.60141	1.0
70.06598	0.4
81.07050	0.4
85.02902	1.8
91.05484	0.5
94.04185	2.1
97.02899	0.4
98.70256	0.2
107.04928	0.4
109.06470	0.3
118.16974	0.3
119.04953	0.3
121.06456	0.3
122.03668	4.7
123.08082	0.6
127.03976	0.3
132.66579	0.2
137.05981	100.0
138.06332	2.7
141.09102	0.9
145.04935	0.3
147.04442	0.5
149.06015	0.7
151.07553	0.6
153.07007	1.1
179.07062	0.8
181.06490	1.6
182.07329	0.4
209.06024	0.5
210.06758	0.3
212.07704	0.3
213.09129	1.2
217.67693	0.3
225.09218	0.4
241.08574	1.0
253.08659	0.6
273.11206	4.7
274.11566	0.4
285.11215	1.5
303.12350	0.9
312.91901	0.3
323.35321	0.3
323.39462	0.3
500.14487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05313	2.1
55.05520	23.5
63.86142	2.1
65.44311	2.1
67.05499	8.0
69.03428	4.8
69.07066	6.4
69.11641	2.3
69.35667	15.3
75.14132	2.4
79.05509	11.6
81.07063	11.0
82.07390	2.3
83.04987	4.8
83.08622	16.8
84.21693	2.5
85.02915	6.2
87.00863	3.8
91.05488	13.6
93.07039	12.8
95.08615	25.7
96.08953	8.0
99.92712	2.5
105.01842	4.6
105.07036	32.7
106.07350	6.0
107.04964	15.8
107.08598	24.0
108.08896	5.4
109.06512	2.5
109.10185	5.4
111.04471	3.1
111.08063	4.9
117.07000	5.1
118.07362	2.5
119.08594	48.3
120.08925	8.6
121.06496	11.4
121.10152	8.4
123.11725	4.1
123.62484	2.1
127.03924	3.4
129.07016	4.1
131.08569	17.1
132.08965	4.6
133.06517	2.5
133.10158	18.1
134.10484	5.4
135.08099	6.1
135.11624	4.1
143.08568	9.8
144.08943	6.0
145.10158	15.4
146.10464	8.1
147.08073	5.5
147.11673	10.7
148.08389	2.2
149.09673	2.9
149.13235	3.0
156.09212	2.2
157.10158	16.9
158.10527	3.5
159.11703	9.1
160.12061	7.2
161.09654	14.0
161.13295	4.0
162.13640	3.8
166.49779	2.0
169.10181	3.5
170.10779	3.0
171.11653	6.5
172.11989	2.7
173.13274	12.0
174.13632	7.0
175.11205	7.3
175.14854	9.5
176.15102	2.5
177.12569	2.6
185.13232	5.3
186.13458	4.3
187.14835	20.1
188.15178	14.5
189.07587	5.6
189.12766	6.0
189.16422	13.7
190.13083	4.5
190.16805	2.8
193.39287	2.2
197.13396	2.4
198.13831	2.2
199.14824	6.9
200.15211	4.2
201.16432	7.9
202.16689	6.2
203.14259	20.0
204.14670	14.7
205.15958	3.1
213.16446	3.0
214.16710	3.6
215.14343	2.8
216.14565	2.5
217.15884	100.0
218.16251	7.2
235.17116	2.6
241.19592	2.6
390.28763	3.2
392.29922	3.7
408.30045	3.8
418.28134	6.0
428.79617	2.2
436.29480	12.0
452.28674	4.1
452.35074	2.9
454.30197	9.0
456.32037	2.8
464.28894	4.7
470.29877	4.4
471.29883	2.3
482.29742	6.5
500.30814	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01868	4.1
55.05514	3.1
57.03439	6.9
59.05026	2.1
61.02922	3.2
67.05510	3.4
69.03432	11.2
69.07076	6.2
70.06590	13.5
71.01329	1.7
71.04990	17.5
71.31087	2.7
72.08163	4.8
73.02922	14.1
73.06563	3.9
79.05484	5.2
81.03411	3.2
81.07050	26.6
83.04982	1.8
84.08153	3.6
85.02900	34.5
86.09714	7.1
87.57970	1.4
91.05467	3.4
93.07034	17.0
95.04957	1.5
95.08593	9.0
97.02891	17.5
97.06539	3.4
99.04458	2.5
104.50125	1.5
105.07034	3.1
107.08598	16.6
109.02882	2.8
109.06552	1.8
109.10154	4.2
110.07074	1.8
115.03930	7.2
123.08023	3.6
127.03918	15.3
129.10252	2.4
130.06526	1.5
133.04941	11.3
135.11690	23.1
141.09131	4.0
145.04936	13.2
147.04396	4.6
147.11522	1.7
153.12740	100.0
154.13153	2.2
159.10213	4.0
163.06021	10.2
171.13792	2.9
188.08202	2.1
189.80112	1.5
213.12300	1.8
223.06004	4.2
226.69466	1.4
241.07146	4.6
259.08020	7.9
277.09268	1.4
295.10324	4.1
322.13882	3.6
450.59576	1.7
473.18604	1.6
484.18872	2.5
500.21283	2.7
501.15906	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05058	1.3
57.03451	1.9
57.07082	1.5
63.87226	1.3
67.05515	2.8
67.18262	1.3
69.07077	2.2
69.15399	3.9
69.15827	5.0
71.67068	1.3
74.06091	4.6
79.05524	1.2
81.03413	1.8
81.07059	4.5
82.03780	1.2
84.04508	1.5
86.09709	100.0
93.07043	2.7
95.08589	3.6
96.68295	1.3
102.05511	1.3
105.07079	1.7
107.08635	2.2
110.02361	1.3
119.08617	1.4
120.06586	5.3
130.05005	4.0
133.10246	1.3
143.11768	2.0
164.93047	2.1
180.56424	1.4
215.13954	9.8
220.95889	1.5
233.14954	6.3
272.16006	3.4
281.65686	1.5
398.41068	1.4
447.48267	1.4
482.35751	5.0
500.33585	1.9
501.19519	2.2
501.30719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05516	3.5
56.05020	0.6
57.03436	6.4
58.06602	28.9
59.07383	9.9
60.08166	9.7
62.98233	0.6
67.05476	2.7
69.07058	4.1
69.30573	1.1
69.30970	3.4
73.02928	0.9
75.04477	3.9
79.05467	1.2
81.07034	2.7
81.36063	0.5
83.08600	1.2
85.02883	2.2
87.04465	5.3
93.07018	1.4
95.08578	2.4
97.10164	0.7
102.05532	1.0
105.05486	1.0
105.07057	0.9
107.08595	1.0
109.10120	1.0
121.10138	0.9
125.47093	0.6
128.63141	0.6
131.07007	2.2
135.11670	0.8
139.17001	0.6
144.10185	8.5
148.72180	0.6
149.09485	0.5
162.11264	3.9
164.93066	0.7
198.97479	0.8
203.61501	0.6
218.13741	0.7
236.14931	100.0
237.15230	2.7
261.64304	0.6
398.33392	0.6
438.39349	0.8
482.38437	22.7
483.38867	1.7
500.39484	59.9
501.19424	1.7
501.40002	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	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82890	2.2
53.03930	2.3
55.05539	3.0
57.07066	4.3
62.06091	100.0
64.45742	2.0
67.05501	13.0
69.07061	9.4
69.08907	19.1
79.05482	8.7
81.07061	20.6
82.95787	2.1
83.08626	4.2
91.05496	6.0
93.07060	13.6
95.02738	2.4
95.08610	52.2
96.08936	2.9
97.06549	3.0
97.10155	2.6
100.35740	2.4
105.07038	10.2
107.08602	29.7
109.10148	29.8
111.11730	4.8
119.08575	15.9
121.10139	34.3
123.11745	11.8
131.08577	2.7
133.10141	17.4
135.11702	18.2
137.13284	3.7
145.10179	4.9
147.11728	9.8
149.13231	11.2
157.10387	2.6
159.11711	8.9
161.13274	12.5
163.14836	8.4
173.13257	6.8
175.14854	7.1
177.16368	5.9
183.11636	2.8
187.14865	4.7
189.16394	9.1
195.72699	2.4
201.16402	5.2
203.17975	3.5
205.19476	2.9
217.15970	3.9
217.19539	7.4
228.62646	2.7
229.19653	2.8
231.21111	6.3
243.46686	2.3
264.19452	2.9
274.03815	2.4
278.21176	5.4
283.26385	4.5
350.55991	2.6
367.81717	2.7
393.35007	5.9
411.36160	2.8
482.39948	40.7
483.40152	4.1
500.41187	69.3
501.41507	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	500.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58760	2.9
55.05507	11.0
57.07067	7.9
67.05498	28.2
68.05830	3.3
69.07072	25.1
69.19104	21.2
70.07404	3.3
70.60602	2.2
76.35636	2.3
79.05478	16.7
81.07053	43.3
82.07375	3.0
83.08619	11.1
83.87527	2.4
91.05478	19.1
93.07040	41.7
94.07367	5.4
95.04964	14.2
95.08605	100.0
96.08924	9.4
97.06538	4.3
97.10180	5.4
105.07034	40.9
106.07372	3.6
107.08591	62.2
107.09284	4.4
108.08919	6.5
109.06538	5.9
109.10152	73.6
110.10462	4.4
111.08072	7.5
111.11720	6.6
119.08582	51.9
120.08939	7.5
121.06507	56.0
121.10139	57.6
122.10467	6.0
123.08067	16.5
123.11699	27.9
124.12043	5.3
125.06026	7.7
129.07010	5.5
131.08560	13.7
133.10123	45.4
134.10477	6.6
135.08072	7.5
135.11685	60.8
136.12053	4.4
137.09628	7.6
137.13258	9.0
139.07558	8.5
143.08560	10.6
145.10115	19.6
146.10475	3.0
147.11687	37.5
148.12050	7.5
149.13264	27.2
157.10133	12.7
159.11676	16.4
160.12006	6.0
161.09644	8.1
161.13271	21.0
162.13629	4.2
163.11084	3.3
163.14854	8.1
165.12697	3.2
171.11693	5.4
173.13245	13.0
174.13655	2.9
175.11206	11.7
175.14813	17.2
176.15195	3.3
177.16397	5.6
181.18556	2.7
185.13225	14.5
187.14752	14.1
188.15150	5.8
189.16383	55.2
190.16780	16.5
191.17979	17.9
192.18279	3.6
199.14848	9.0
200.15195	4.6
201.16406	7.0
203.14354	9.9
203.18082	5.0
204.14754	3.6
205.15910	5.9
205.19537	73.9
206.19766	3.3
215.14357	11.6
215.17914	6.0
216.14571	3.9
217.15871	39.1
217.19527	10.6
218.16220	17.8
219.17467	5.3
227.17975	3.8
229.19476	3.0
231.17390	3.7
231.21162	4.0
233.15366	77.8
234.15878	4.4
235.16974	4.0
241.19572	2.8
245.18971	2.9
259.20511	3.0
278.21262	4.1
301.25241	3.6
405.35297	4.1
422.35028	16.1
423.36478	68.5
440.36066	16.5
482.37726	20.0
500.37943	64.5
501.39218	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	500.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29287	4.1
54.30232	3.7
55.05508	7.4
67.05499	15.4
69.07076	13.3
70.71795	10.6
70.72120	5.4
77.03011	4.0
79.05490	5.4
81.07056	20.0
83.08617	5.5
86.72731	3.8
91.05502	8.9
93.07041	21.6
95.04969	19.9
95.08053	5.5
95.08612	73.5
97.10159	10.0
105.07059	23.3
107.08589	44.9
109.10154	65.1
119.08578	26.9
121.10166	22.7
123.11711	15.0
131.08604	9.2
133.10138	21.6
135.08076	5.3
135.11693	59.4
137.09651	7.5
145.10187	9.1
147.11656	22.2
148.09230	4.2
149.13226	31.5
157.10193	9.5
159.11632	8.2
161.09630	5.7
161.13290	10.0
171.11737	6.5
175.14793	11.5
183.11572	4.4
185.13240	16.1
189.16356	46.5
191.17920	6.5
198.76588	4.3
205.19531	88.9
206.19853	4.6
217.15967	28.6
217.19508	8.4
227.17970	8.3
301.25320	5.3
384.47452	5.4
405.35248	11.0
423.36182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16936	8.8
55.05516	27.3
57.07063	11.9
58.26274	10.0
59.60297	9.0
61.24917	10.4
62.40551	9.2
63.65969	8.7
67.05492	25.8
69.07071	54.2
81.07055	52.3
83.08628	11.7
86.91205	9.6
91.05463	14.4
93.07049	30.2
95.08608	100.0
96.33762	9.0
97.10165	13.8
105.07034	36.4
107.08594	59.8
109.10165	68.7
119.08569	43.0
121.10164	98.6
123.11700	23.5
131.08569	12.1
133.10127	63.3
135.11699	42.7
137.13268	12.0
145.10098	26.3
147.11700	31.8
149.13251	18.3
157.10185	20.1
159.11713	32.3
161.13234	15.5
171.11688	22.0
173.13322	13.3
175.14836	22.0
177.16388	14.4
185.13197	11.7
187.14815	14.0
189.16399	31.5
191.17990	29.3
199.14822	14.5
201.16364	15.5
203.18002	13.8
213.16385	20.4
217.15855	59.1
217.19528	27.1
219.17484	15.6
227.18005	14.1
241.19524	11.6
267.21112	19.4
277.17960	26.4
285.22052	11.9
294.06775	11.3
309.25754	15.4
327.27002	15.2
361.86719	10.6
383.01862	9.6
391.38843	11.8
400.62820	10.0
405.35242	90.1
423.36298	90.5
465.37164	44.8
527.23724	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	500.41
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15890	4.0
52.16127	4.5
55.05502	8.7
57.02324	3.9
67.05499	6.7
69.07075	18.5
69.21040	26.7
79.05499	9.2
79.06799	4.2
81.07057	22.3
83.08630	8.4
84.21587	3.9
89.35442	3.9
91.05495	11.0
92.85144	4.4
93.07059	11.7
95.08614	49.2
97.10153	8.6
105.07024	11.4
107.08594	30.3
109.10173	25.6
111.11738	6.1
119.08582	21.4
121.10172	35.1
123.11713	14.7
131.08551	5.4
133.10141	33.9
135.11696	16.4
137.13260	6.7
140.95551	4.1
145.10114	13.3
147.11713	13.4
149.13229	11.1
151.14767	6.3
157.10152	10.0
159.11681	18.8
161.13258	12.5
163.14665	4.0
171.11732	7.9
173.13315	5.9
175.14813	8.9
177.16403	14.7
183.11618	5.8
185.13292	8.8
187.14818	9.1
189.16458	23.3
191.17921	26.7
199.14830	17.0
201.16391	6.9
203.17963	14.2
205.16162	4.4
213.16472	4.9
215.17950	8.3
217.15886	14.7
217.19527	14.4
219.17427	5.5
227.17905	9.5
239.17912	4.6
241.19408	4.5
245.18965	5.0
253.19621	5.9
255.21312	4.5
267.21130	5.6
269.22623	7.4
277.17862	5.8
285.22150	9.3
295.24237	7.0
405.35156	100.0
406.35428	5.4
423.36227	82.9
424.36478	8.0
465.36996	20.5
501.33099	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	501.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	19.6
59.05032	7.8
67.05511	17.5
69.07082	23.1
71.05024	8.0
71.30067	6.5
71.30515	8.2
78.33608	7.2
79.05502	13.7
81.07057	41.3
83.04994	13.7
83.08618	9.3
91.05506	28.7
93.07053	39.0
95.04961	9.5
95.08606	62.8
95.09072	6.2
97.06548	12.6
105.07030	44.8
107.08589	56.9
109.06541	16.6
109.10162	37.0
111.08108	8.4
117.07078	9.0
119.08587	63.0
121.06557	12.6
121.10128	53.9
123.08121	17.4
123.11694	33.5
129.06996	7.8
131.08607	16.9
133.10117	43.2
135.08105	23.4
135.11719	28.5
137.09570	7.4
143.02574	6.0
143.08601	13.1
145.10176	29.0
147.08086	7.7
147.11743	23.5
149.09599	10.1
149.13290	8.7
157.10182	17.2
159.11656	29.8
161.09602	16.6
161.13307	16.2
163.11235	19.6
163.14835	10.9
171.11697	12.3
173.09650	6.9
173.13345	13.4
175.11256	10.9
175.14873	12.5
183.11790	11.8
185.09616	9.1
185.13248	11.1
187.11267	9.8
187.14886	16.4
189.12852	9.7
189.16443	21.1
197.13469	6.9
201.12834	11.4
203.14383	10.1
215.14278	8.3
223.14905	10.6
225.12682	9.1
227.14378	7.3
229.15936	7.6
233.15504	8.8
241.16013	7.7
276.89270	6.5
395.30176	8.4
410.23346	7.5
437.30444	9.8
441.29260	8.7
455.31683	8.4
465.29828	15.4
483.31555	34.3
501.32468	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01870	2.2
55.05508	10.9
55.35329	1.5
57.03428	2.9
57.07077	2.3
65.03940	3.0
67.05502	25.1
69.03436	10.5
69.07069	12.8
69.15244	15.0
70.06586	5.5
71.04991	6.0
72.08175	2.5
79.05492	23.1
81.03408	5.7
81.07057	40.3
82.06605	1.8
83.04980	9.4
83.08620	5.8
84.04471	2.1
85.02893	10.2
85.06554	2.1
86.09716	11.2
87.00800	2.1
91.05482	38.2
93.07035	44.7
93.24099	1.7
95.04966	34.2
95.08611	40.2
97.02895	3.7
97.06543	6.4
97.10172	1.9
99.04457	2.5
99.10609	1.8
103.05454	2.9
105.07031	71.7
106.07385	2.9
107.04923	4.4
107.08597	44.4
109.02863	3.8
109.06518	10.4
109.10149	17.6
111.08062	2.8
115.05457	4.7
117.07019	23.2
118.43475	1.8
119.08587	72.7
119.95098	1.6
120.08918	2.3
121.06515	13.3
121.10139	20.6
122.78556	1.8
123.08074	5.3
123.11712	5.2
125.09637	2.5
127.03951	4.4
128.06221	10.2
129.07027	22.1
130.07794	3.5
131.08574	64.0
133.06476	9.1
133.10126	37.3
135.08034	12.9
135.11731	8.0
136.07565	2.0
137.05966	4.0
137.09647	5.1
141.07008	8.3
142.07785	15.2
143.08549	46.4
143.14326	4.8
144.09355	7.8
145.06517	4.5
145.10124	83.6
146.10498	2.4
147.08054	20.5
147.11687	25.7
149.06038	2.6
149.09641	4.8
149.13257	5.5
151.07542	1.9
153.07005	2.3
154.07832	1.8
155.08571	13.6
156.09375	11.6
157.10132	49.1
158.10834	3.0
159.08084	10.8
159.11696	49.2
160.07576	2.3
160.08829	1.8
160.12065	2.0
161.05994	3.6
161.09624	24.8
161.13254	18.7
163.07542	4.1
163.11201	5.1
163.14815	4.2
164.07086	2.4
167.08556	4.9
168.09389	4.4
169.10149	19.5
170.10957	10.0
171.11684	33.7
173.09663	8.8
173.13264	44.6
174.13596	2.3
175.11172	10.1
175.14833	17.5
177.05507	5.6
177.12796	4.6
179.14438	2.7
181.10132	5.3
182.10876	3.0
183.11713	24.8
184.12558	2.5
185.09747	2.3
185.13258	64.8
186.10425	2.9
186.13554	2.2
187.11156	7.6
187.14819	52.4
189.12740	22.4
189.16457	4.4
191.14252	8.7
195.11778	4.3
197.13220	14.4
199.11151	4.6
199.14812	41.9
201.12798	16.9
201.16386	19.2
203.14320	54.3
203.17986	2.5
205.12216	3.0
205.15880	3.9
209.13287	4.9
211.14771	9.1
213.12721	9.1
213.16330	9.0
215.14288	18.6
217.12383	2.0
217.15865	21.9
219.13808	27.9
219.17296	2.4
221.13417	3.7
221.15398	9.8
223.14848	2.7
225.16396	4.5
227.14349	5.1
227.17961	4.6
229.15863	12.2
231.13782	10.1
231.17430	4.8
233.15387	7.7
235.16980	6.5
239.17952	3.8
241.15984	3.4
243.17522	2.5
245.15408	7.1
247.17021	4.1
249.14748	3.3
269.18964	2.3
311.20236	1.9
341.20883	2.3
369.24860	2.0
373.28534	2.0
389.28494	5.9
399.26868	1.9
401.28473	7.6
407.29639	4.7
419.29593	14.2
421.31183	2.7
429.27557	3.6
435.29037	5.4
437.30469	15.4
447.28763	10.5
453.30078	12.6
455.31537	4.3
465.30029	13.5
483.31177	21.5
501.23276	14.2
501.32074	100.0
502.32257	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	501.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01867	1.6
55.05510	9.1
56.02143	1.3
57.03434	2.4
57.07077	3.1
59.80189	1.2
65.03939	1.8
67.05499	17.0
68.77857	1.1
69.03429	6.2
69.07066	11.9
69.10178	1.8
69.10505	10.5
70.06591	2.0
71.04987	2.1
77.03935	1.6
79.05492	23.4
81.03427	1.5
81.07054	32.4
82.07395	1.4
83.04972	5.9
83.08615	5.2
85.06537	1.9
86.09708	3.4
91.05477	36.8
93.07040	32.5
95.04967	16.8
95.08608	37.0
97.06534	5.3
103.05436	2.8
105.07028	78.6
106.07391	2.5
106.10995	1.1
107.04967	2.8
107.08598	32.1
107.09288	2.4
109.06516	6.8
109.10141	13.3
111.08096	4.5
113.06026	2.6
115.05453	6.0
116.06242	2.1
117.07021	24.5
119.04955	2.7
119.08578	72.2
120.08929	1.4
121.06499	15.3
121.10143	24.1
123.08069	7.3
123.11710	3.7
128.06206	9.5
129.07011	16.7
130.07823	5.7
131.04890	2.8
131.08563	71.3
132.08926	2.2
133.06520	8.8
133.10120	37.5
134.10434	1.5
135.08057	13.2
135.11711	6.3
135.54959	1.2
137.05966	3.5
137.09654	2.8
139.07457	1.5
141.06996	5.0
142.07771	15.3
143.08557	48.5
144.09337	6.7
145.06474	4.7
145.10118	100.0
146.10463	4.2
147.08040	22.4
147.11673	20.3
149.05981	2.5
149.09605	4.3
149.13281	5.7
151.07565	1.6
153.07135	1.8
154.07799	1.5
155.08540	12.8
156.09346	12.4
157.06630	1.5
157.10123	53.8
158.10835	5.3
159.08034	10.2
159.11687	53.7
160.12131	1.6
161.09621	29.7
161.13243	21.2
163.07556	1.5
163.11201	3.8
163.14827	4.1
165.07117	2.1
167.08611	4.3
168.09348	4.4
169.10138	18.8
170.10925	10.7
171.08086	2.6
171.11678	30.3
172.12378	2.3
173.09665	7.3
173.13257	56.0
175.11195	10.9
175.14822	22.9
177.12737	3.5
177.16273	2.1
180.09320	1.4
181.10117	3.4
182.10921	3.3
183.11688	26.0
184.12431	2.1
185.09698	3.5
185.13248	69.0
186.10414	2.4
186.13705	2.5
187.11253	6.9
187.14815	56.3
189.09142	1.9
189.12737	36.8
189.14349	2.3
189.16356	6.5
191.14243	8.4
193.15800	2.3
195.11702	5.6
197.13242	19.2
199.11160	3.9
199.14822	42.8
200.15147	2.1
201.12740	23.3
201.16388	22.2
203.14305	65.9
203.18102	3.5
203.38069	1.4
204.14688	1.9
205.12257	2.6
205.15953	4.3
207.11810	2.5
207.13777	2.8
209.13287	4.0
209.15266	1.3
209.60384	1.4
211.11237	1.3
211.14792	11.0
213.12791	5.0
213.16315	10.5
215.14333	16.3
215.17947	1.9
217.12337	2.9
217.15852	23.8
218.16296	1.4
219.11714	2.5
219.13786	25.6
219.17380	2.7
219.92018	1.3
221.13290	3.0
221.15303	17.9
223.14848	4.3
225.12747	1.8
225.16438	5.4
227.14328	6.3
227.17989	3.5
229.15852	9.2
231.13866	7.5
231.17493	5.1
233.15373	4.6
235.16959	3.8
237.14740	2.9
239.18068	3.2
243.13753	1.4
243.17480	3.0
243.36972	1.4
245.15306	10.5
247.17030	4.1
249.14609	1.9
249.16841	1.8
251.18002	2.2
253.19684	1.4
263.16293	2.3
277.19766	1.5
293.22818	1.4
347.24078	1.4
371.27426	1.6
373.29718	1.4
383.27286	3.9
389.28519	6.0
391.30081	3.5
401.28375	12.3
403.30112	2.3
407.29416	6.0
417.27701	2.8
419.29507	17.3
421.31458	1.6
429.27832	3.9
435.28922	9.4
437.30490	14.0
447.28967	11.1
453.30087	10.6
455.31598	4.3
465.29868	14.7
483.31018	15.9
501.20123	2.2
501.32111	45.6
502.32498	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	501.3214
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03941	1.9
55.01864	1.4
55.05512	5.6
57.03428	1.3
57.07072	1.6
61.03538	1.1
61.86448	0.9
63.54474	0.9
64.90584	1.1
65.03930	1.9
67.05175	1.4
67.05508	14.9
69.03432	4.1
69.07072	6.8
71.04984	2.2
71.30360	1.0
71.30772	1.1
79.05492	6.4
81.03430	4.5
81.07070	14.0
83.04983	3.1
83.08616	3.5
85.02907	5.7
85.06570	2.3
87.00852	1.7
91.05476	10.4
93.07051	13.6
95.04965	5.4
95.08607	52.0
96.08955	1.6
97.02895	2.5
97.06528	3.1
99.04443	1.8
99.08102	1.5
103.05483	1.5
105.01899	1.3
105.07033	17.1
106.02827	1.2
107.08593	15.0
109.02897	1.5
109.06518	3.5
109.10152	15.1
109.31749	1.1
111.08084	3.6
115.05423	1.6
117.07027	5.5
119.08578	21.1
121.06491	8.3
121.10146	10.2
123.08090	5.1
123.11707	3.6
125.09615	1.8
127.03895	1.5
128.06244	2.1
129.07010	2.4
131.08537	8.4
133.06508	1.9
133.10121	12.2
135.08069	5.5
135.11722	4.8
137.05980	2.1
137.09616	12.0
143.08580	4.9
145.10129	10.4
147.08075	7.5
147.11684	8.4
149.09636	4.8
149.13271	2.9
151.07590	2.0
151.11224	1.2
155.08527	2.1
156.09372	2.1
157.10124	6.8
159.08090	3.3
159.11693	10.4
161.09639	5.7
161.13251	5.5
163.11252	2.0
163.14850	1.7
169.10187	3.6
170.10846	1.5
171.08112	1.5
171.10352	1.1
171.11755	3.8
173.09653	3.0
173.13231	9.8
175.11229	3.5
175.14841	5.1
177.12759	2.7
183.11710	3.3
185.09647	1.9
185.13248	5.9
187.11168	1.9
187.14842	5.4
189.12813	5.0
189.16388	2.7
191.14290	5.1
193.10249	1.2
197.13312	1.4
199.14844	2.8
201.12846	1.1
201.16353	5.5
203.14307	28.4
204.14787	1.3
205.15894	2.2
209.13240	1.7
213.12845	1.5
213.16400	3.0
215.14378	2.3
217.15901	5.3
219.13829	1.4
219.17487	1.4
221.11603	1.0
225.16287	1.3
229.15904	4.4
231.17438	1.6
235.13332	3.0
235.17029	2.8
235.20607	1.4
239.17995	1.8
241.15913	1.9
243.17601	1.9
253.08490	2.4
253.21634	1.7
255.17439	1.5
257.18970	1.7
269.19012	1.9
271.06311	1.4
297.21893	1.3
407.29349	1.2
409.31015	100.0
410.31219	8.1
410.59042	1.1
419.29379	3.5
421.31125	2.9
437.30383	8.3
439.32150	7.4
450.33594	2.9
453.30081	16.6
454.30069	1.6
455.31674	6.6
457.14865	5.7
457.33167	10.6
458.15311	1.1
483.30682	4.6
501.13470	8.0
501.19843	5.0
501.31924	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	501.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06306	0.7
53.03936	2.5
55.01902	0.8
55.05511	4.6
57.03437	1.0
57.07069	1.4
58.06771	0.7
61.02943	0.8
65.03939	1.2
67.05508	14.4
69.03432	3.4
69.07070	4.0
69.75044	0.6
71.05001	1.5
72.75415	0.7
79.05489	6.9
81.03425	4.0
81.07060	13.2
83.04974	1.8
83.08623	2.9
85.02900	3.7
85.06547	1.7
86.09699	0.9
87.00808	1.9
91.05479	8.2
93.07043	13.1
95.04971	3.0
95.08611	52.9
97.02910	1.4
97.06542	3.2
99.04453	1.1
99.08064	1.2
103.05446	0.8
105.07030	14.2
107.04945	1.1
107.08588	12.8
109.02879	1.6
109.06535	3.4
109.10159	14.6
111.08076	2.7
115.05492	1.0
117.06993	3.7
119.08579	20.2
121.06512	7.8
121.10133	9.5
123.08056	3.9
123.11713	3.2
125.09676	1.2
127.03941	3.2
128.06224	1.0
129.06998	2.2
131.08559	6.9
133.06496	2.0
133.10146	9.9
135.07187	0.8
135.08076	4.8
135.11652	4.4
137.05997	1.6
137.09610	12.8
141.07066	1.1
141.09155	0.9
142.07872	1.1
143.08594	4.2
145.06439	0.9
145.10130	12.2
147.08055	8.9
147.11700	6.6
149.09639	2.1
149.13283	3.3
151.11130	1.7
156.09383	1.2
157.10143	6.1
159.02934	0.9
159.08051	2.1
159.11691	8.0
161.09630	4.9
161.13266	5.4
163.11200	1.8
163.14854	1.3
169.10100	1.8
170.10991	0.8
171.08055	1.3
171.11700	4.1
173.09692	2.3
173.13275	5.6
175.11200	1.9
175.14848	3.3
177.12785	1.5
179.14378	1.0
181.10172	1.0
182.10901	0.9
183.11722	3.3
184.12502	0.8
185.09538	0.7
185.13254	4.4
186.10460	0.8
187.14867	4.2
188.11972	0.7
189.12750	4.9
189.16345	1.9
191.14343	6.7
193.09966	0.8
195.11765	0.9
197.13286	2.4
199.14844	2.5
201.12723	1.5
201.16406	6.4
203.14319	30.7
205.15886	2.2
209.13188	1.3
209.55573	0.7
211.14781	1.5
213.12793	0.9
213.16408	2.3
215.14278	1.9
217.15863	6.1
219.17485	3.2
223.14853	0.8
225.16428	1.2
227.14362	1.0
229.15944	3.3
231.05028	1.3
231.17499	2.3
235.16928	2.3
235.20453	1.3
237.16432	0.8
239.18056	1.1
241.16023	1.5
243.17450	1.8
251.18289	1.9
251.20741	0.7
255.17375	0.8
257.19040	2.1
269.19009	1.2
271.06070	2.3
326.12305	0.7
391.29916	1.3
403.29932	2.0
409.31012	100.0
410.31293	9.6
419.29483	2.6
421.30997	3.6
437.30573	7.5
439.32144	5.4
450.33679	2.4
453.29993	17.6
454.30554	1.1
455.31595	8.1
457.23334	1.6
457.33185	12.0
483.30856	0.9
494.32898	1.1
501.22302	7.0
501.31949	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	501.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01878	3.2
55.05513	62.3
57.03441	36.1
57.07076	54.6
62.98255	4.1
67.05510	64.5
69.06726	5.4
69.07073	80.5
69.51383	16.4
71.04998	5.7
71.08637	41.2
73.06588	3.1
74.08598	2.7
75.04487	11.3
79.05496	31.8
81.07061	100.0
82.07404	3.6
83.04988	3.4
83.08623	56.9
85.10172	15.0
91.05469	8.8
93.07052	34.6
95.04974	3.9
95.08609	88.2
97.06529	17.4
97.10174	42.6
98.23330	3.6
105.07030	7.8
107.08600	29.4
109.02843	2.6
109.10157	43.6
111.08090	13.0
111.11723	16.9
113.06021	5.1
119.08586	5.5
121.10148	36.9
123.11714	20.8
124.93774	3.6
125.09624	10.0
131.07025	4.5
135.08028	3.6
135.11688	30.5
137.13264	9.7
139.11195	6.3
147.11729	4.7
149.13246	16.3
152.30353	2.8
153.12781	5.2
157.12367	3.2
159.11755	3.2
163.14801	8.7
164.93001	11.3
167.14314	5.4
173.13248	3.7
177.16367	4.3
181.15933	4.1
191.17880	5.0
195.00322	15.9
195.17429	4.2
198.97466	6.8
199.16963	3.3
209.18974	4.8
237.21997	3.1
243.63797	3.5
289.28958	12.6
307.29993	18.0
317.28336	16.0
335.29398	34.6
350.73459	3.5
353.30582	3.4
367.49356	3.6
371.31577	74.4
372.31467	3.7
409.33121	43.5
427.34210	58.2
461.20618	4.0
483.37009	16.9
501.19791	16.3
501.37750	42.4
502.36783	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	501.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.05510	14.0
57.07085	6.5
67.05510	24.3
69.07072	24.1
70.81721	6.1
79.05493	19.1
80.67326	2.1
81.07065	48.4
82.07384	2.5
83.08636	11.8
86.01620	2.0
87.20393	2.1
91.05493	15.3
93.07058	35.8
95.04974	5.0
95.08612	78.5
96.08918	2.9
97.06566	3.5
97.10184	6.3
99.08124	2.7
105.07037	31.5
107.08601	48.6
109.06509	12.1
109.10159	48.1
109.10909	2.9
111.08077	4.5
111.11753	9.5
117.07030	3.1
119.08582	49.6
121.06538	3.5
121.10146	46.4
122.59010	2.2
123.08080	10.1
123.11721	16.7
129.79680	2.1
131.08607	8.0
133.10139	37.6
134.10535	3.8
135.08099	4.2
135.11703	37.1
137.09645	7.3
137.13266	8.7
139.07581	2.7
143.08536	3.2
145.10138	15.7
146.10741	2.2
147.11691	26.3
149.09703	2.7
149.13275	14.6
151.11214	2.5
151.14801	3.1
156.70567	2.6
157.10172	5.9
159.11722	16.4
161.09663	3.4
161.13245	12.5
162.79424	2.7
163.11201	6.1
163.14832	8.4
164.46689	2.4
165.12798	3.0
171.11728	6.8
173.13324	12.3
175.11217	4.5
175.14873	8.6
181.10112	3.1
185.13263	5.6
187.14815	11.3
189.16385	75.5
189.18030	4.2
190.16806	4.1
191.14337	4.0
191.17992	17.3
199.14880	5.3
201.16412	17.6
203.18002	10.0
205.15916	2.6
209.18991	2.5
215.14473	3.2
215.18013	6.8
217.16006	2.5
219.17464	56.9
220.17873	2.9
227.17955	3.6
231.17531	3.8
233.15405	16.3
233.18860	2.9
234.15714	9.0
249.18585	6.5
253.19424	4.1
423.31921	4.9
423.36728	5.6
424.32776	3.4
441.33600	8.1
483.38568	100.0
484.38724	10.1
501.35251	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	501.394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43614	5.0
55.05507	11.0
57.07069	6.9
60.18169	4.7
60.41322	5.3
67.05504	20.9
67.71311	4.7
68.82350	5.2
69.07063	17.4
70.45167	12.0
79.05490	16.4
81.07069	26.2
83.08641	7.5
89.33467	5.3
91.05471	14.7
93.07053	34.3
95.08595	48.7
95.98759	5.3
97.06503	5.0
97.10197	5.7
98.23286	7.0
101.43135	4.9
105.07047	23.4
107.08595	47.6
109.10162	28.1
117.07038	5.4
119.08579	18.5
121.10146	34.5
123.11710	13.4
131.08583	10.6
133.10109	18.8
135.11664	23.8
137.13304	4.9
143.08554	6.0
143.17645	4.9
145.10120	16.0
147.11678	20.0
149.13229	24.2
159.11685	20.0
161.13298	9.6
171.11711	10.0
173.13271	5.9
175.14874	6.6
177.16408	12.0
187.14854	14.3
189.16377	5.3
195.17432	6.0
201.16417	19.7
203.17874	27.1
213.16353	7.6
215.17981	11.7
223.16803	5.9
229.05009	5.3
251.19987	18.5
283.24155	11.2
331.16162	4.6
331.77335	5.6
336.17377	5.3
423.36240	100.0
424.36575	6.5
441.37479	10.4
501.35504	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	501.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.8
55.01881	2.7
55.05516	14.0
55.52914	1.1
57.07080	3.5
59.05001	1.2
65.03956	1.4
67.05509	19.4
69.03427	3.9
69.07072	24.6
69.37386	5.1
69.37787	2.6
71.05010	1.7
71.08635	1.4
72.27968	1.3
79.05495	15.0
81.07062	38.7
83.04981	4.2
83.08628	10.8
85.06554	2.0
90.44215	1.2
91.05482	17.6
93.07054	46.2
94.07391	1.7
95.04968	2.6
95.08612	65.5
96.08971	3.1
97.06548	5.0
97.10167	4.1
99.04472	1.5
99.08124	3.8
102.24493	1.1
103.05450	1.5
105.07031	32.9
107.08598	65.6
108.08935	2.7
109.06536	5.3
109.10158	36.3
110.10542	2.4
111.08086	5.5
111.11745	3.8
115.18592	1.0
117.07015	5.7
119.08583	37.7
121.06499	2.1
121.10146	59.2
121.32206	1.2
122.10523	3.2
123.08075	4.3
123.10808	1.6
123.11711	26.4
124.12045	1.7
125.09644	4.3
127.07560	2.7
129.07024	2.4
130.07806	1.7
130.19073	1.3
131.08556	11.1
133.10132	32.7
134.10423	2.0
135.08080	2.5
135.11697	35.6
135.12675	2.3
136.08401	1.0
136.12045	1.3
137.09608	1.4
137.13237	11.9
139.07474	1.3
139.11186	3.9
142.07741	1.3
143.08554	7.2
145.10124	21.5
147.08118	1.5
147.11688	28.1
149.09648	4.5
149.13260	49.0
150.13625	3.6
151.11191	2.1
151.14861	1.9
153.09135	1.8
153.12758	1.8
155.08546	1.7
157.10141	9.8
158.10904	1.8
159.11700	24.8
160.12209	1.5
161.09694	2.3
161.13269	17.1
162.13669	2.0
163.11259	2.4
163.14809	7.0
165.12781	1.4
167.10654	2.1
167.14357	2.6
169.10147	1.4
170.10828	1.3
171.11682	7.9
172.12392	1.7
173.13283	14.3
174.13612	1.0
175.11232	1.7
175.14842	10.8
177.12817	2.7
177.16418	14.2
178.16765	1.3
179.14371	1.2
183.11748	3.5
185.13269	11.6
187.14839	17.8
189.12766	2.3
189.16373	13.4
190.16754	2.7
191.17952	9.7
195.17461	4.2
197.13358	2.7
199.14806	9.0
201.16406	31.8
202.16760	2.3
203.14340	3.3
203.17970	38.1
204.18362	2.2
205.15887	3.4
205.19580	1.5
211.14851	2.4
213.13020	1.5
213.16414	12.3
214.16902	1.2
215.17978	11.0
217.16095	1.2
217.19597	3.5
219.17496	3.3
221.15363	1.5
223.14984	1.5
223.16998	4.7
225.16420	2.6
227.17949	11.1
228.18405	1.2
229.15941	1.5
229.19571	6.2
231.13818	3.3
233.15511	2.0
233.19029	13.3
234.15570	2.0
235.20659	1.4
239.18109	1.4
241.19626	5.3
243.21141	1.7
245.19078	2.8
249.14908	1.9
251.17722	0.7
251.20107	20.6
253.19553	2.5
255.21106	4.8
257.22672	1.3
261.22168	1.5
267.21133	3.0
269.22488	2.4
273.21558	1.2
279.23096	1.5
281.22711	2.1
283.24246	15.6
285.22098	1.3
287.23846	2.6
301.25348	1.3
313.25238	1.2
384.00793	1.2
395.33044	1.7
405.35574	7.0
413.34100	2.7
423.36319	100.0
424.36734	9.0
441.32443	2.1
441.38162	10.2
455.35269	1.4
459.34879	3.1
473.36481	1.5
483.34933	8.3
501.35312	18.8
502.36151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10873	3.7
53.03945	5.9
55.01871	6.6
55.05502	13.0
67.05498	22.0
69.03427	100.0
69.07069	4.9
69.42722	24.5
71.04994	46.1
79.05471	16.8
81.03416	26.3
81.07063	16.5
85.02900	31.4
85.06534	18.3
87.00826	19.9
91.05482	49.5
93.07046	23.5
95.04967	5.3
95.08591	20.0
97.02890	10.5
99.04418	8.3
103.05479	5.0
105.01853	10.7
105.07021	30.4
107.04951	5.0
107.08582	14.7
109.02882	19.1
109.06508	5.0
109.10151	10.5
115.05424	7.9
117.07016	20.0
119.08585	40.9
121.06531	8.9
121.10133	13.4
123.08018	6.7
127.03934	27.7
128.06218	16.9
129.07008	23.6
131.08574	28.1
131.55452	4.6
133.10130	16.3
135.08038	5.2
137.06021	6.8
141.06972	11.6
142.07764	12.8
143.08566	14.7
145.05006	5.6
145.06465	5.4
145.10100	22.6
147.08014	11.4
147.11685	8.6
149.09665	7.9
155.08617	11.3
157.10110	22.5
159.08063	9.9
159.11678	24.0
161.13310	6.4
168.09305	7.1
173.09627	6.4
173.13330	5.4
175.14777	7.7
183.11732	7.4
185.13350	10.1
187.14769	17.9
201.12756	16.7
201.16408	9.2
203.14272	34.7
209.15343	4.1
217.15840	5.3
219.13786	58.4
231.05020	7.4
331.79584	4.2
356.72519	4.8
447.48969	4.5
455.31619	84.3
503.33295	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	502.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01859	4.6
55.05505	5.9
57.03447	2.0
60.09329	1.5
65.03945	1.9
67.05511	14.0
69.03429	50.6
69.07058	2.8
69.12060	4.8
69.12466	8.6
71.04989	19.1
73.02892	2.2
74.60168	1.8
78.94813	1.7
79.05496	8.0
81.03422	10.9
81.07060	11.8
83.04990	2.1
83.08620	2.0
85.02908	18.5
85.06541	12.5
87.00819	6.6
91.05483	19.9
93.07061	14.3
95.04969	2.8
95.08604	21.2
97.02886	6.1
97.06502	3.2
99.04439	4.7
103.05482	1.9
105.01843	3.2
105.07027	24.1
107.08595	11.4
109.02894	5.7
109.06499	3.6
109.10165	9.9
111.08095	4.6
115.05472	3.1
116.06256	2.8
117.07032	10.0
119.08588	34.6
121.06550	3.8
121.10152	10.9
123.08029	4.7
123.11673	2.5
125.09669	2.5
127.03918	12.9
128.06212	4.6
129.07031	11.2
130.07745	1.7
131.08565	20.5
133.10153	14.5
135.08066	3.8
135.11694	3.7
137.09608	2.2
141.06964	4.1
142.07764	4.3
143.08585	14.1
145.04962	4.8
145.06438	2.1
145.10129	18.1
147.08046	3.1
147.11710	6.7
149.09650	5.5
149.13307	2.2
151.11186	3.2
155.08539	5.9
156.09467	2.5
157.10146	16.5
159.08072	7.8
159.11700	13.5
161.13239	4.4
163.14827	2.3
168.09193	1.7
169.10158	2.9
171.11679	5.0
173.09634	3.4
173.13239	8.2
175.14822	5.9
185.13225	6.7
187.14818	17.4
189.12753	3.3
189.16406	4.4
191.14301	2.3
197.13326	2.1
199.14865	6.0
201.12756	4.3
201.16383	7.7
203.14314	21.3
205.15858	3.4
211.14859	2.9
213.16339	5.2
215.14305	2.1
217.15921	3.3
219.13818	24.4
229.15807	2.8
231.05020	3.9
231.17363	2.4
253.19392	1.9
258.01111	1.7
421.30887	3.0
455.31589	100.0
467.31860	2.9
503.33710	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	502.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
55.01866	9.2
55.05505	6.9
57.03428	6.8
62.85348	3.4
65.21344	3.2
65.70862	3.2
67.05507	18.2
69.03434	100.0
69.90860	2.9
70.33265	7.1
70.33622	8.1
70.39593	3.2
71.04996	57.0
79.05483	16.0
81.03409	25.5
81.07049	9.8
83.04975	5.9
85.02910	40.6
85.06544	26.6
87.00821	19.8
91.05486	38.3
93.07046	14.6
95.04996	5.4
95.08598	10.9
97.02888	18.4
99.04438	9.6
105.01859	10.5
105.07047	21.5
105.39536	3.6
107.04966	4.6
107.08588	9.8
109.02869	23.8
109.06555	5.8
109.10152	9.0
111.08067	5.8
112.27978	3.0
115.05436	12.8
117.07008	28.3
119.08601	27.7
121.10146	14.4
123.08062	3.7
127.03938	31.8
128.06226	16.6
129.01790	3.1
129.07024	38.6
130.07805	5.8
131.08580	32.6
133.10144	12.4
135.08034	5.9
135.11665	4.3
137.09616	3.6
141.06990	17.4
142.07793	12.5
143.08559	19.1
145.04959	12.7
145.06465	8.4
145.10115	14.2
147.08014	7.6
147.11717	7.8
149.09650	7.2
153.07016	10.6
155.08569	13.5
157.10118	19.4
159.02882	6.5
159.08061	8.6
159.11690	19.5
161.13275	4.0
168.09326	4.7
171.21564	3.3
173.13246	7.3
175.14807	5.7
177.12691	4.2
183.11723	5.6
185.13257	11.1
187.14819	3.9
201.12718	17.3
201.16391	7.5
203.14313	13.6
219.13863	48.6
219.17380	27.0
231.04999	8.2
269.63211	3.3
271.40424	3.3
455.31659	24.8
471.77231	3.5
503.32880	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	502.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01860	3.9
55.05504	7.3
56.81728	1.9
57.03442	3.6
67.05508	9.5
69.03426	34.0
69.06000	20.3
69.06326	2.5
69.07060	6.7
71.04996	15.4
73.02914	2.1
75.05891	2.0
77.57072	2.1
79.05482	13.0
81.03421	8.7
81.07053	19.2
82.62151	1.9
83.04986	5.8
85.02901	17.2
85.06541	10.7
86.09704	2.3
87.00840	9.3
91.05492	21.0
92.48679	2.0
93.07030	16.6
95.04975	4.5
95.08624	15.3
97.02892	9.4
97.06538	2.2
98.23370	4.6
99.04446	3.4
99.08099	2.1
105.01877	7.2
105.07041	22.4
107.04978	4.0
107.08598	15.7
109.02881	6.4
109.06540	3.8
109.10155	9.5
111.08100	4.2
115.05457	6.6
117.07034	11.6
117.07752	2.0
119.04916	2.6
119.08569	16.9
121.06499	4.9
121.10149	12.8
123.08063	2.4
125.09628	2.5
127.03907	12.4
128.06206	4.6
129.07019	9.2
131.08560	13.4
133.10161	15.5
134.12129	1.8
135.08110	3.3
135.11720	2.5
137.05956	10.3
137.09634	5.5
141.06972	4.3
142.07768	4.9
143.08597	5.2
145.05034	4.2
145.06459	5.1
145.10115	11.3
147.11710	6.5
149.09669	5.6
149.13310	2.6
151.11194	3.6
155.08536	5.1
157.10165	11.2
159.03026	3.2
159.08086	2.0
159.11630	9.5
161.09680	2.6
161.13283	6.1
163.11287	2.3
163.14763	2.8
165.12790	2.6
171.11682	3.7
173.13310	5.2
175.14859	3.0
183.11766	3.0
185.13292	3.6
187.14807	6.2
189.16402	2.1
198.11378	3.1
199.14867	4.4
201.12755	4.8
201.16435	7.3
203.14337	4.2
206.89401	2.1
213.16499	3.4
217.15826	2.3
219.13838	24.2
219.17447	4.9
231.04907	3.6
236.17296	2.3
237.18344	3.0
254.18092	3.9
289.05225	2.8
296.18781	2.6
303.32779	2.3
416.23398	6.9
429.87503	2.6
455.31262	12.9
458.24399	29.5
485.33282	2.7
502.23428	100.0
503.22809	4.7
503.32224	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
57.07079	3.6
63.34381	1.0
65.03951	1.3
67.05507	8.2
67.95461	1.0
69.03432	2.1
69.07063	4.2
69.79358	4.4
71.04990	2.2
71.08636	1.5
79.05490	7.3
81.03421	2.4
81.07057	10.7
83.08623	1.5
84.08150	1.5
84.65226	1.1
85.02896	4.9
87.00806	3.0
91.05473	8.0
93.07041	12.9
95.08616	33.4
96.44464	1.1
97.02908	2.0
97.06499	1.1
103.55633	1.0
105.01881	2.3
105.07037	17.2
106.07364	1.1
107.08588	24.6
109.02863	1.1
109.10155	10.9
111.08096	2.4
117.07036	9.5
119.08575	27.8
120.08906	1.1
121.10148	14.8
127.03944	2.3
128.06267	1.1
129.06949	1.9
130.07800	2.1
131.08565	28.0
133.10120	9.5
134.16566	1.0
135.11684	6.6
142.07820	1.2
143.08539	3.2
144.09341	3.3
145.05023	1.7
145.06497	1.2
145.10118	58.8
146.10431	2.6
147.08063	2.4
147.11696	4.3
157.10132	3.8
158.10939	3.3
159.11691	42.2
159.12997	2.5
160.12146	1.7
161.13246	3.5
171.11671	1.3
173.13268	33.5
175.14954	1.4
177.34409	1.1
185.13219	1.2
186.13898	1.3
187.14899	2.7
199.14807	1.6
201.16389	100.0
202.16760	3.2
203.14410	1.3
203.17938	2.5
206.70134	1.2
219.17444	71.8
220.17819	3.3
231.05048	1.6
255.06506	2.2
263.78430	1.3
387.06012	1.1
455.31659	10.0
503.32642	1.1
521.63110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40315	1.6
53.50562	1.6
55.05500	1.7
67.05509	4.5
69.70387	7.1
79.05502	5.2
81.07047	8.0
83.08637	1.6
91.05498	3.7
93.07053	7.0
95.04973	2.0
95.08614	16.3
97.06518	2.5
98.22697	2.0
99.08113	3.0
105.07036	3.8
107.08594	6.7
109.10126	9.4
111.08092	3.4
115.75987	1.5
119.08583	7.3
121.06508	28.4
121.10140	4.9
123.08041	4.9
123.11734	2.5
125.05973	12.2
133.10124	10.8
135.11693	3.9
139.07533	18.8
141.11147	1.6
145.10127	4.7
147.11688	3.3
153.99864	1.7
160.96754	1.8
161.13249	5.6
173.20898	1.7
187.14897	4.3
188.81181	1.9
189.12811	9.5
191.17931	10.0
215.14281	12.0
233.15355	100.0
234.15746	3.3
407.33212	2.8
425.34125	22.5
429.68671	2.2
452.42148	2.0
519.08246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.05517	15.0
57.07080	5.3
63.27850	2.6
67.05508	15.6
69.01421	14.6
69.01840	12.5
69.07075	18.9
71.04987	8.9
78.51724	2.4
79.05506	15.5
80.05822	3.4
81.07058	33.0
82.07387	5.1
83.04991	5.4
83.08627	6.8
85.06540	7.3
91.05481	9.0
93.07043	31.5
93.52111	2.8
94.07371	3.7
95.04984	5.4
95.08615	55.7
96.08925	5.2
97.06535	3.1
97.10184	3.5
105.07020	26.4
106.07365	5.4
107.08600	40.4
108.08938	4.8
109.06530	5.9
109.10163	31.4
110.10499	6.7
111.08067	8.3
111.11743	4.8
113.09653	10.8
119.08590	36.0
120.08908	7.5
121.10143	36.4
122.10480	6.6
123.08086	3.0
123.11719	25.9
125.09622	3.6
127.07549	3.4
131.08563	12.0
133.10123	34.0
134.10464	6.8
135.08099	3.9
135.10892	2.7
135.11719	23.0
136.12039	2.9
137.13284	6.0
143.08607	6.9
145.10110	23.4
146.10440	6.9
147.11671	18.6
148.12039	3.6
149.09642	3.2
149.13226	15.4
156.09317	3.5
157.10124	9.5
159.11671	16.0
160.11969	4.2
161.13240	15.5
162.13588	3.8
163.14828	6.9
171.11678	11.2
172.12216	3.0
173.13203	15.4
175.14825	13.3
177.16382	6.5
185.13278	8.5
187.14813	16.7
189.16396	20.9
190.16780	6.1
191.17940	6.5
192.18314	5.0
197.13237	4.8
199.14786	9.9
201.16389	11.0
202.16620	3.4
203.17838	7.3
205.15884	3.0
213.16362	8.9
215.17908	9.0
219.17427	9.7
220.17776	9.1
226.58238	3.3
227.17957	5.3
231.14082	2.8
233.15317	3.9
239.18022	3.5
241.19519	9.7
243.10641	2.9
259.20584	4.6
281.22766	4.0
299.23801	3.9
301.42178	3.2
377.31995	5.3
395.33093	100.0
396.33386	8.2
406.31577	3.0
424.32947	4.5
437.33762	3.2
442.27859	3.9
442.33957	10.2
455.35242	64.9
456.35513	6.2
484.39175	7.5
502.35849	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88963	1.7
55.05517	9.3
57.03447	10.7
57.06826	3.0
57.07077	29.5
58.45683	1.7
59.05013	3.2
62.06086	7.5
65.03930	1.9
66.22600	1.8
67.05505	85.2
69.07070	7.5
69.08781	9.4
69.09208	7.6
71.04990	2.5
71.08633	21.3
72.50984	1.8
77.66544	1.6
79.05493	3.2
81.07062	20.3
83.08610	10.2
85.06557	3.3
85.10184	11.0
89.06008	2.1
91.05421	2.8
91.05885	2.3
93.07060	3.4
95.08605	21.1
97.10211	3.0
107.08586	4.4
109.10157	72.9
110.10528	1.7
110.31365	1.6
119.08604	5.9
123.11725	3.1
137.09644	2.8
137.13239	2.1
152.04881	1.7
155.10626	4.1
167.05577	4.3
173.11752	24.3
229.14348	100.0
230.14557	3.9
239.23679	2.0
277.14673	1.8
299.06235	4.8
313.27356	94.7
314.27618	6.2
379.93625	2.1
467.37308	49.6
468.37799	4.3
484.40939	2.4
502.41821	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	503.1736
Annotation	Phenazostatin C
Peak:m/z	Relative Intensity
51.11797	0.4
56.50860	0.4
56.96563	1.8
57.42953	0.5
60.69645	0.4
70.06582	0.6
71.11789	0.7
72.08165	0.8
84.04510	0.5
84.08147	1.7
84.96030	0.5
86.09702	0.9
95.01126	1.2
96.01879	1.1
98.97579	2.6
103.05471	0.7
108.05418	0.5
110.97574	0.7
112.01357	0.8
113.02134	3.2
116.98643	1.5
120.08109	6.1
121.08455	2.5
128.98598	1.0
129.10265	1.4
146.99677	0.5
149.09662	0.9
157.04689	0.7
166.08653	3.6
167.03122	0.5
167.09015	1.5
177.05367	0.5
179.03426	1.0
185.04245	4.1
201.03706	0.9
203.05283	0.7
205.04732	30.3
219.01848	1.3
222.04372	1.0
232.96420	0.7
237.02834	1.6
240.05492	0.6
243.08371	0.8
249.07442	0.6
259.07950	1.5
266.07663	2.2
267.08276	1.0
299.06192	0.7
325.97055	0.4
341.12448	0.6
356.54190	0.4
380.03326	0.6
383.13235	1.1
411.12637	2.2
413.07434	0.5
473.16397	0.8
494.88995	0.4
503.17343	100.0
504.17712	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	503.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
55.01878	2.8
55.05504	0.7
57.03424	2.4
58.06573	0.6
61.02932	3.3
65.42060	0.8
69.03433	22.1
69.07075	1.2
70.06586	2.4
71.05000	5.6
71.11218	1.1
72.08177	2.8
73.02928	1.5
79.05490	1.0
81.03423	22.1
83.05002	1.0
84.04499	1.6
84.08124	1.3
85.02429	1.2
85.02908	16.6
86.09709	3.3
87.04463	1.6
91.03975	0.6
93.07041	1.3
95.04955	0.7
95.08619	0.7
97.02899	6.1
98.97601	1.0
99.04460	6.7
105.07054	1.1
107.04998	0.6
109.02877	2.0
109.06532	1.0
110.07153	1.8
111.04421	1.7
117.05530	1.6
121.02895	1.6
121.06503	0.6
121.10167	2.8
123.04478	0.8
123.08044	1.1
125.09599	0.7
127.03942	3.6
129.10226	1.5
131.08583	0.8
133.07619	4.0
134.06007	1.0
136.07574	1.0
137.05977	1.3
139.03891	0.7
145.02786	0.8
145.04999	2.8
149.09634	13.0
149.10834	0.7
153.05466	1.8
160.07526	0.8
161.07100	7.9
163.08658	5.6
167.10722	4.0
178.07433	0.7
179.08162	1.1
180.24278	0.5
181.04965	2.0
187.07532	0.7
189.06596	5.7
191.08148	5.8
191.14342	1.6
197.05023	0.7
207.07658	100.0
208.07973	3.0
209.15321	0.5
219.07715	1.3
231.07889	0.9
245.09273	0.8
247.10867	0.8
249.08672	1.4
281.10632	0.9
287.10181	0.8
293.17371	1.0
305.11060	2.7
305.17377	0.7
323.12387	36.1
324.12668	1.7
341.13428	83.2
342.13763	4.1
443.15863	1.8
461.16864	1.9
503.18811	1.0
522.00281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
55.01873	2.9
57.03437	2.8
59.05000	0.5
61.02907	2.4
65.42052	0.8
67.05480	0.7
68.23881	0.5
69.03431	20.6
69.07066	0.6
70.06580	1.5
70.20303	1.7
71.01357	0.7
71.04993	6.1
72.08147	3.1
73.02898	1.8
76.38067	0.5
76.40947	0.5
79.05479	1.0
81.03417	23.4
83.04945	0.8
84.04485	1.1
84.08113	2.1
85.02909	19.6
86.09704	5.3
87.04461	1.1
91.03940	1.4
93.07050	0.5
97.02886	7.7
99.04459	6.7
105.07014	1.3
107.04934	1.0
109.02878	2.2
110.07172	1.3
117.05505	0.6
120.08078	0.6
121.02851	1.8
121.10127	2.5
123.04426	0.9
127.03918	4.3
127.74509	0.5
129.10217	1.7
133.07607	3.9
134.06050	1.1
135.04344	0.6
136.07603	0.9
137.05954	2.6
145.04968	3.3
147.04410	1.6
149.09612	9.0
153.05478	1.6
160.07623	1.0
161.05959	0.8
161.07115	7.5
163.07442	0.9
163.08667	6.7
167.10634	3.3
179.03349	1.2
179.08186	1.5
181.04999	1.2
187.07491	1.2
189.06609	6.8
191.08150	5.5
191.14330	0.9
197.04749	0.6
203.03429	1.3
207.07649	100.0
208.07913	3.0
219.07790	0.7
221.09370	0.9
231.07774	0.8
235.10992	0.6
249.08752	1.7
259.11139	0.9
263.09601	0.6
281.10678	2.0
293.17496	0.6
305.11130	2.0
323.12381	41.3
324.12744	2.0
337.07108	1.1
341.13434	83.9
342.13770	4.5
443.15939	2.2
445.09305	0.6
461.16776	0.7
503.20096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01854	1.9
55.05494	2.2
57.03439	1.5
59.04989	0.9
61.02924	2.3
67.05499	3.2
69.03429	8.6
69.07051	1.3
69.30355	4.9
71.04704	0.8
71.05006	8.5
73.02896	1.3
79.05486	4.8
81.03404	4.1
81.07059	5.6
83.04997	1.3
85.02909	15.8
86.09740	1.0
87.04482	1.2
89.45103	0.9
91.05489	7.2
93.07037	4.5
94.02357	0.9
94.04178	3.4
95.04936	1.4
95.08609	7.8
97.02875	7.5
97.06557	1.3
99.04450	1.1
103.05449	4.3
104.06239	1.1
105.07035	10.4
107.04926	2.6
107.08591	4.3
109.02869	2.3
109.06496	3.0
109.10157	4.1
115.05476	4.5
117.07010	4.1
119.08591	8.5
121.06513	1.7
121.10159	3.4
122.03654	9.0
127.03909	3.5
128.06206	3.3
129.06978	3.2
131.04945	4.9
131.08585	5.5
132.05779	1.7
133.06516	3.1
133.10106	4.2
135.08006	2.0
135.11679	0.9
137.05975	100.0
137.09601	2.2
138.06322	2.9
141.07019	2.3
143.08510	2.2
145.04973	2.0
145.06433	1.6
145.10101	7.6
146.03555	1.5
147.04384	1.8
147.08020	4.7
147.11661	2.5
149.06004	1.4
149.09567	1.4
150.06648	0.9
151.07489	1.5
156.05656	1.1
157.10115	2.8
159.08028	3.1
159.11713	2.8
160.05177	2.3
161.05991	10.8
161.09578	1.6
161.13293	2.4
162.06784	2.6
163.03996	0.9
163.07521	6.1
165.07051	1.6
167.05544	1.3
167.07031	1.3
168.05748	1.1
169.06410	1.0
171.08034	1.3
171.11725	1.8
173.13260	4.2
175.07547	32.1
175.11011	1.0
175.14868	1.0
176.07953	1.2
181.06534	1.1
183.11678	1.4
184.05269	1.9
185.13264	2.7
187.07555	5.0
187.14824	6.1
189.09085	1.5
189.16389	1.0
190.07803	2.2
191.08546	4.0
197.13301	1.5
199.07542	13.6
199.14844	2.4
201.05351	1.1
201.09094	1.2
201.12666	1.8
201.16400	2.9
202.07785	4.1
203.08597	8.9
203.14345	3.0
205.06516	1.7
205.15901	1.7
207.08015	1.2
213.16417	1.9
217.15948	1.4
219.08063	7.5
219.17445	2.4
220.08820	1.9
220.17926	1.8
221.15256	1.3
230.07205	1.1
231.08072	8.7
232.08708	1.6
236.08206	1.6
237.08984	1.3
237.18489	1.2
247.07585	3.2
248.08130	4.3
249.09229	1.6
251.06754	1.2
251.10704	7.7
259.07553	5.6
260.08252	3.0
261.08945	1.5
263.10730	4.9
265.08591	1.2
276.07806	2.4
276.65552	1.1
277.08401	4.3
279.10202	6.2
280.10864	2.0
291.10175	12.1
292.10831	4.6
293.08188	1.4
295.13113	1.5
308.10361	1.3
311.12775	14.3
312.13159	1.0
323.09158	1.5
323.12738	21.7
324.12900	1.7
325.14301	1.4
341.10318	1.2
397.74762	1.0
421.31134	1.9
439.32108	1.4
449.30695	1.0
455.25656	1.4
455.31531	16.6
456.31680	1.1
467.31787	1.0
469.62393	0.9
484.84540	1.0
485.32425	2.1
503.32294	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	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01880	1.3
55.05513	0.9
61.02910	0.5
66.04712	0.6
67.05503	0.9
69.03434	2.6
69.07059	0.7
70.06589	0.5
70.57594	1.0
70.57938	0.7
71.04993	1.1
73.02924	0.6
75.18984	0.5
77.03979	0.4
79.05495	3.1
80.89974	0.4
81.03423	0.8
81.07061	2.6
83.04950	0.5
84.04493	0.5
85.02910	6.5
86.09736	0.7
91.05489	5.3
93.07041	2.1
94.04210	2.9
95.04977	1.0
95.08594	2.0
97.02900	2.7
97.06541	0.6
103.05469	1.9
105.07036	8.0
107.04973	1.6
107.08593	2.0
109.02905	0.9
109.06501	2.3
109.10159	1.6
115.05447	3.8
117.03413	0.4
117.07020	2.2
118.04214	0.6
119.04960	1.3
119.08575	5.0
121.06524	1.0
121.10162	1.6
122.03645	8.9
123.08043	0.4
123.11739	0.5
125.09616	0.8
126.91584	0.5
127.03934	1.4
128.06224	2.2
129.07022	2.6
131.04935	1.8
131.08595	2.2
132.05713	2.3
133.06511	4.2
133.10101	2.9
135.08078	0.7
135.11734	0.5
137.05981	100.0
138.06375	2.5
138.07239	0.6
141.06996	0.9
142.07779	0.6
143.08592	1.1
144.05701	0.9
145.04944	0.7
145.06453	1.3
145.10124	2.6
147.04410	1.4
147.08025	3.8
147.11746	1.1
149.05981	2.1
149.09605	0.7
151.07507	1.0
151.11159	0.5
153.07062	0.5
155.04875	0.6
156.05688	1.2
157.06387	0.6
157.10091	1.1
159.08067	3.0
159.11665	1.7
160.05186	1.4
161.05984	14.5
161.13246	0.8
163.07536	1.0
167.07030	0.8
169.10007	0.6
171.08092	1.0
171.11688	1.1
172.05238	1.1
173.13278	1.3
175.07555	30.8
175.14874	0.6
176.07919	0.9
179.07130	1.1
183.11720	1.3
184.05159	1.0
185.13235	1.6
187.07559	9.0
187.09135	0.4
187.14825	2.9
188.03514	0.7
189.07076	0.6
189.09084	1.0
189.16422	0.5
190.07799	2.5
191.08553	6.6
199.07567	8.8
199.14847	1.5
201.16367	1.5
202.07768	3.3
203.08565	5.5
204.09200	0.4
205.08470	0.7
207.07936	0.5
208.08858	1.0
211.14751	0.7
217.08557	0.7
218.07303	1.6
219.08051	9.2
219.17436	0.8
220.08800	2.5
230.07254	0.5
231.08022	6.2
232.08780	1.6
233.06099	0.6
233.09618	0.8
235.07570	1.0
235.11243	0.6
236.08331	1.7
237.09125	0.7
237.18544	0.7
246.06737	0.6
247.07559	4.4
248.08330	3.8
249.09021	1.0
251.10677	11.4
259.07501	3.2
260.08295	1.4
261.09067	1.2
262.09879	0.5
263.08102	0.5
263.10687	3.6
264.08054	1.0
265.08585	1.3
275.07278	0.7
276.07825	1.4
277.08591	1.9
279.10138	10.1
280.10858	1.8
281.08057	0.8
291.10172	9.8
292.10788	2.8
293.07913	1.1
295.09741	0.7
295.13342	1.2
296.10345	1.0
308.10440	1.4
309.10852	0.5
311.12778	18.7
312.13187	1.0
323.12772	12.3
324.13437	0.7
341.13681	0.5
410.40604	0.5
421.31042	1.0
423.32193	0.5
449.30920	0.7
467.31686	0.8
485.32370	1.4
503.21561	0.7
503.33963	0.7
510.84183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01867	1.3
55.05495	0.5
57.03431	1.1
61.02895	0.6
61.10150	0.6
65.03925	0.8
69.03424	2.9
69.07072	0.6
69.09560	3.2
69.09993	2.1
70.06579	1.0
71.04990	0.8
72.08144	1.5
75.66243	0.5
79.05481	3.0
81.03394	1.6
81.07043	2.1
84.04519	1.0
85.02901	7.4
85.06534	0.6
85.35224	0.5
86.09711	5.3
91.05461	4.3
93.07018	1.0
94.04192	3.1
95.04957	0.9
97.02885	2.0
97.06541	0.6
99.55224	0.5
102.05545	1.0
102.88639	0.6
103.05470	1.9
105.07030	6.3
107.04940	1.0
109.02853	0.8
109.06522	2.5
115.05455	5.4
117.07032	1.1
118.04238	0.7
119.04911	1.4
119.08578	1.9
121.06476	1.5
121.10159	0.8
121.26014	0.6
122.03624	7.2
127.03925	1.6
128.06195	2.2
129.07042	3.5
129.10301	0.5
131.04929	2.6
131.08575	0.8
132.05681	2.2
133.06525	3.8
137.05974	100.0
138.06316	2.4
143.06064	0.6
145.04973	1.2
145.06419	0.9
146.03624	1.4
147.04449	1.2
147.07993	3.1
149.05974	0.9
151.07532	1.0
156.05682	0.7
159.08025	3.2
160.05196	1.4
161.04651	0.5
161.05963	13.6
162.07607	1.7
163.07530	2.1
163.13289	2.0
165.07030	0.6
167.10658	0.7
168.05783	0.6
171.08058	1.2
172.05165	1.0
172.07152	0.6
173.12892	0.7
175.07553	27.3
176.07951	0.9
177.05548	1.0
179.06964	1.2
184.05226	1.1
187.07530	9.6
190.07750	2.5
191.08571	6.6
199.07518	8.4
201.12306	1.0
202.07767	2.2
203.08548	5.6
205.06572	1.0
208.08766	0.7
217.08510	0.8
218.07289	1.3
219.08076	11.6
220.08713	3.4
231.08125	6.9
232.08704	1.7
235.07552	0.9
235.11331	0.9
236.08340	2.1
237.08928	0.6
245.09576	0.8
247.07498	5.2
248.08292	3.3
249.09071	0.8
251.10681	13.1
259.07449	3.8
260.08298	1.9
261.09067	1.1
261.14548	0.7
263.10699	3.2
264.07925	1.1
265.08588	0.9
275.15973	1.6
276.07877	2.2
277.08652	2.2
279.10168	10.7
280.10843	1.6
281.08008	0.7
291.10153	8.4
292.10767	3.4
293.08115	1.3
295.10040	1.0
295.13388	1.5
296.10165	0.7
297.02036	0.6
308.10410	1.5
309.13232	1.2
311.12766	21.2
311.16394	1.1
312.13202	1.5
323.12808	14.2
323.18240	1.3
324.13062	0.8
341.13684	0.8
397.14694	0.6
441.17184	0.8
459.21893	1.5
471.13687	0.6
485.16211	4.6
485.23007	1.1
503.17105	5.8
503.24152	2.5
504.22455	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99344	3.0
53.03940	4.1
55.05506	12.0
57.03438	3.3
57.07076	3.4
67.05493	14.4
69.03428	9.7
69.05894	15.1
69.06325	15.1
69.07075	10.7
69.09821	3.1
69.20221	3.1
71.04994	21.7
79.05479	17.9
81.03431	4.4
81.07066	36.0
83.04966	4.8
83.08614	8.4
85.02910	13.6
87.00839	8.0
89.00900	3.2
91.05486	27.6
93.07061	33.2
95.05002	5.9
95.08609	48.6
97.06530	4.8
97.10162	3.7
98.22606	4.7
99.08126	3.3
105.01869	5.3
105.07041	67.7
107.08607	36.7
109.06519	4.4
109.10162	23.6
119.08595	44.6
121.10150	21.8
123.08044	5.7
123.11705	9.7
125.09636	23.1
127.03909	5.1
127.11229	3.9
129.06987	3.9
131.08545	15.4
133.10143	74.5
135.08043	4.7
135.11644	7.8
137.09645	5.6
143.08571	10.0
143.10658	23.1
145.04974	3.3
145.10114	29.7
147.11665	27.3
149.13266	19.5
151.27496	3.3
157.10062	9.6
159.11668	18.4
161.13297	10.0
167.14337	44.1
169.10268	3.6
171.11678	6.2
173.13251	8.7
175.14825	8.0
183.11823	3.5
185.13231	7.0
187.14821	19.8
189.16418	4.0
197.13324	4.4
199.14847	4.2
201.16426	16.2
203.14410	15.8
203.17963	6.6
217.15923	6.2
219.17441	25.2
237.18584	4.7
399.15994	5.4
403.30399	5.0
415.27505	3.3
455.31616	100.0
456.32089	7.6
503.20993	23.5
503.32858	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	503.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77035	0.4
53.03939	0.8
55.05512	3.1
57.03436	0.6
57.07091	0.6
57.91424	0.5
65.03928	0.9
67.05177	0.6
67.05507	8.5
69.03423	1.3
69.07072	4.2
70.90788	0.5
71.04998	0.7
73.02950	0.5
73.04736	0.4
79.05499	6.0
81.03421	0.7
81.07057	10.7
83.04994	0.9
83.08617	1.3
85.02907	2.6
85.06551	0.8
91.05478	7.3
93.07048	11.9
95.04974	1.7
95.08607	26.1
96.08882	0.4
97.06548	1.5
97.10167	0.6
103.05515	0.5
105.07031	14.5
107.08596	14.6
109.06520	2.1
109.10152	9.2
110.10461	0.5
111.08067	2.2
115.05481	1.3
117.07025	3.5
119.08583	26.5
121.06530	2.2
121.10139	8.2
123.08066	4.3
123.11732	1.6
125.09587	0.8
127.03927	0.5
128.06238	1.2
129.07010	3.1
130.07738	1.0
131.04898	0.5
131.08568	10.1
132.08998	0.5
133.06544	1.2
133.10132	12.4
135.08060	2.8
135.11694	3.1
137.05969	3.3
137.09636	2.3
141.06973	0.8
141.09171	0.6
142.07768	1.8
143.08571	7.2
144.09373	0.8
145.05011	0.5
145.10118	16.2
146.10556	0.7
147.08041	3.3
147.11679	6.8
149.06075	0.6
149.09625	2.1
149.13243	1.9
151.11160	0.8
155.08551	2.9
156.09291	1.5
157.10126	7.8
158.10902	1.0
159.08063	0.9
159.11699	9.5
161.06009	1.0
161.09627	2.0
161.13257	5.4
163.07558	0.9
163.11172	1.5
163.14835	2.2
167.08505	0.7
169.10144	2.2
170.10890	0.9
171.11694	4.3
173.09671	0.9
173.13257	7.0
175.07549	1.4
175.11208	1.2
175.14813	5.8
177.09114	0.9
177.12758	1.5
177.16383	1.9
179.14372	1.2
181.10046	0.5
183.11789	2.2
184.12466	0.5
185.13263	5.3
187.11186	1.1
187.14819	17.5
188.15147	1.2
189.12727	2.5
189.16391	4.2
191.14317	1.9
195.11682	1.0
197.13263	2.7
199.14807	5.9
201.12703	1.1
201.16403	6.5
203.14316	15.4
203.17979	1.0
204.14743	0.8
205.15889	4.6
207.13766	0.5
209.13231	1.0
210.14168	0.6
211.14850	2.0
213.16368	5.4
215.14381	2.7
215.17996	1.5
217.15892	3.9
219.08224	0.5
219.13850	1.0
219.17490	1.8
223.14906	0.6
225.16339	0.9
227.18007	2.3
229.15961	2.1
231.17433	2.9
233.15369	1.3
235.17052	0.7
237.16464	0.6
239.17915	1.2
241.19510	0.9
245.15311	0.9
247.17023	0.7
251.10625	0.6
251.17888	0.9
253.19519	1.3
255.21002	0.5
257.19135	0.7
259.17105	0.7
267.21094	0.5
271.20538	0.5
273.18518	0.6
279.10202	0.6
281.22623	0.6
291.10019	0.8
293.22729	0.7
311.12860	0.6
323.09387	0.5
323.12772	1.3
324.52063	0.5
385.28912	1.0
391.29947	1.0
403.30081	2.3
405.31644	1.2
409.31085	1.1
419.29440	0.6
421.30896	4.3
423.32516	1.5
431.29425	1.2
437.30280	0.8
439.32101	1.5
449.30466	3.5
455.31552	100.0
456.31915	9.9
467.31647	2.6
485.14029	0.8
485.32605	2.2
496.34167	1.8
503.33633	10.4
504.34036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03952	1.1
55.01866	0.7
55.05511	4.8
57.03427	0.5
57.07077	0.7
57.52349	0.3
60.78149	0.3
61.86046	0.3
63.39217	0.3
65.03937	1.0
67.05505	11.5
69.03432	2.1
69.07067	6.1
69.15663	2.1
69.16019	0.3
71.04997	0.8
77.03933	0.3
79.05498	7.3
79.05960	0.4
81.03428	1.4
81.07058	12.8
82.07355	0.3
83.04979	1.2
83.08633	2.0
85.02907	1.5
85.06551	0.9
91.05478	10.2
92.05834	0.4
93.07046	14.1
94.07381	0.3
95.04974	3.0
95.08607	31.4
96.08952	0.5
97.02869	0.5
97.06535	3.0
97.10168	0.9
99.04456	0.5
103.05489	0.8
105.07031	19.0
106.07346	0.3
107.04950	0.8
107.08595	16.1
109.02880	0.4
109.06534	2.6
109.10158	12.5
110.10493	0.3
111.04445	0.3
111.08076	2.8
113.06039	0.4
115.05457	0.9
116.06222	0.3
117.07033	3.6
119.08582	31.8
120.08950	1.0
121.06503	3.8
121.10149	10.5
122.03655	0.7
123.08068	3.8
123.11702	2.5
125.09645	0.9
127.03928	0.6
128.06181	1.5
129.07027	2.8
130.07790	1.0
131.08568	13.9
132.08917	0.6
133.06505	1.2
133.10129	15.2
134.10477	0.7
135.08057	4.4
135.11691	6.2
137.05974	6.5
137.09624	3.0
137.13252	0.9
138.06314	0.5
139.07570	0.4
139.11214	0.5
141.06979	0.8
141.09093	0.6
142.07761	2.3
143.08563	7.7
144.09392	1.5
145.04965	0.5
145.06467	0.9
145.10123	20.6
146.10608	0.3
147.08046	3.8
147.11696	8.8
149.09615	2.5
149.13277	3.4
150.09921	0.3
151.01233	0.3
151.07529	0.4
151.11177	1.0
153.07027	0.4
153.09116	0.5
155.08560	2.1
156.09355	1.8
157.06624	0.4
157.10129	9.2
158.10880	1.3
159.08055	1.3
159.11707	12.3
160.12300	0.4
161.09633	3.4
161.13254	7.8
161.14568	0.5
163.07515	0.8
163.11220	1.1
163.14827	3.5
165.12788	0.5
167.08559	0.8
168.09393	0.8
169.10149	2.5
170.10890	0.9
171.08127	0.4
171.11687	5.8
172.12422	1.0
173.09682	1.1
173.13266	8.6
174.13605	0.4
175.07588	0.5
175.11230	2.1
175.14818	6.1
176.15128	0.5
177.09172	0.7
177.12726	2.0
177.16385	2.2
179.14375	1.0
181.10129	1.1
181.12292	0.3
182.10939	0.7
183.11688	2.8
184.12459	0.8
185.13239	5.1
187.11279	1.0
187.14822	21.4
188.15219	1.0
189.09087	0.4
189.12750	2.8
189.16370	4.5
191.14314	2.5
191.17885	0.3
193.10103	0.4
193.15912	0.6
194.10945	0.4
195.11684	1.1
196.12419	0.7
197.13257	2.9
198.13713	0.3
199.11172	0.6
199.14827	6.9
200.15202	0.7
201.12753	1.2
201.16391	6.9
202.16725	0.4
203.14317	17.1
203.17856	1.5
204.14713	1.0
205.15897	4.9
207.13710	0.6
209.13219	0.9
211.14816	2.3
213.12892	0.5
213.16376	6.1
215.14308	3.2
215.17876	2.0
217.12221	0.5
217.15840	5.2
219.13821	0.4
219.17531	0.9
221.15422	0.7
223.14839	0.7
225.16370	1.7
227.14413	0.6
227.17926	2.3
229.15889	2.8
229.19394	0.7
231.13780	0.5
231.17393	2.2
233.13341	0.3
233.15352	1.8
235.14838	0.3
235.16951	0.5
237.16470	0.7
237.18605	0.4
239.18018	1.1
241.16026	0.6
241.19426	1.6
243.17387	0.6
245.15460	1.1
245.19051	0.5
247.16965	1.0
251.17923	0.7
253.19577	1.5
255.17462	0.5
255.21179	0.4
257.19043	0.4
259.17084	0.6
263.17868	0.4
265.19537	0.5
267.21078	0.8
269.18900	0.4
277.19427	0.5
279.21149	0.6
281.19315	0.5
281.22543	0.9
299.19931	0.4
307.24228	0.3
317.22491	0.4
321.25714	0.4
327.22989	0.4
335.24045	0.4
347.27615	0.4
385.28931	0.7
387.30588	0.5
391.30154	1.4
393.31436	0.7
403.29926	2.6
405.31693	0.9
409.31134	0.7
411.32138	0.5
419.29449	0.8
419.66980	0.3
421.30975	3.5
422.31393	0.4
423.32605	1.3
431.29349	1.0
437.30463	0.8
439.32135	1.6
441.33878	0.3
449.30481	3.1
455.31555	100.0
456.31888	9.8
457.32617	0.3
459.22009	0.5
467.31635	3.4
473.32361	0.4
485.32690	1.8
486.32751	0.3
496.34262	1.7
503.21750	1.9
503.33746	9.5
504.22092	0.4
504.33954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07547	0.5
53.03954	1.1
53.34945	0.5
55.01855	1.0
55.05506	2.8
57.03458	0.8
57.07063	0.8
57.37167	0.5
57.76138	0.6
65.03938	1.2
65.18693	0.5
67.05504	8.2
69.03435	2.2
69.07078	4.7
69.21646	3.4
69.22050	1.1
71.04996	1.8
77.20326	0.5
79.05491	6.2
81.03423	1.2
81.07063	9.6
83.04985	0.9
83.08620	1.7
85.02902	2.1
85.06554	1.6
91.05478	8.7
93.07053	10.6
93.55693	0.5
95.04971	2.5
95.08607	22.8
97.02898	0.8
97.06537	2.2
100.39512	0.6
103.05473	0.6
105.07028	13.9
106.07341	0.6
107.04908	0.6
107.08591	13.5
109.06532	1.8
109.10161	9.8
111.08034	2.6
115.05484	0.9
116.06278	0.8
117.07041	4.0
119.08582	22.2
120.08856	0.7
121.06513	2.2
121.10149	8.1
123.08070	3.4
123.11703	2.3
124.98219	0.5
125.09569	0.7
127.03957	1.0
127.11161	0.6
128.06264	1.6
129.07011	2.4
131.08577	11.4
133.06447	0.9
133.10133	10.6
135.08055	2.9
135.11694	3.7
137.09610	2.5
139.30118	0.5
141.07005	0.7
142.07758	1.4
143.08563	5.9
145.10132	15.7
147.08076	2.5
147.11691	6.4
149.05963	1.1
149.09636	2.1
149.13284	2.0
151.11246	1.9
153.09129	0.8
155.08594	2.1
157.10132	9.1
158.10864	0.7
159.08034	0.7
159.11694	7.9
160.12036	0.6
161.09579	2.6
161.13263	5.2
162.10234	0.6
163.07605	1.0
163.14822	1.8
169.10133	2.1
170.10783	0.9
171.11655	4.1
173.09752	0.6
173.13254	7.8
175.11185	1.4
175.14886	4.9
177.09021	0.8
177.12727	1.3
177.16432	1.6
181.10184	0.8
182.10889	0.8
183.11671	1.8
184.12408	0.7
185.13310	4.3
187.11136	0.7
187.14818	18.8
189.12794	2.2
189.16310	4.1
189.21603	0.6
191.14317	1.5
193.15878	0.7
197.13286	2.9
199.14801	6.6
201.12872	1.1
201.16385	6.1
203.14313	15.6
203.16069	1.1
203.17950	1.3
205.15910	4.3
209.13289	0.6
211.14851	1.9
213.16356	5.0
215.14310	2.3
215.18001	1.7
217.15916	5.0
219.13873	1.6
219.17456	1.2
225.16466	1.8
227.14333	0.9
227.18001	1.6
229.15955	2.0
231.13927	0.8
231.17424	3.1
233.15294	1.0
237.16496	0.6
237.18613	1.3
239.17996	1.3
241.19669	0.6
243.17578	0.7
245.15395	0.6
245.19125	1.0
247.16879	1.1
253.19669	1.0
255.17310	0.6
391.30029	1.3
393.31732	0.7
395.75430	0.6
398.60675	0.6
403.29947	2.3
409.31384	0.6
410.69818	0.5
421.31036	3.6
423.32635	1.6
431.29626	1.1
432.29288	0.7
439.32242	1.0
449.30341	3.4
455.31567	100.0
456.31934	8.6
467.31345	2.6
485.32391	1.7
496.34253	1.1
503.33609	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01885	1.2
55.05516	5.1
57.03429	1.0
57.07108	0.9
59.77780	0.8
67.05502	9.4
69.03435	2.3
69.07069	4.5
69.16177	5.8
71.04996	0.9
79.05511	5.4
81.07051	10.7
83.08627	2.1
85.02912	1.9
85.06544	1.0
91.05455	8.5
93.07052	13.8
93.07624	1.2
95.04980	2.5
95.08611	27.6
97.02901	0.8
97.06547	2.5
105.07031	16.8
107.08609	13.6
109.06532	2.0
109.10150	11.8
111.08083	1.4
115.05457	0.9
117.07053	3.0
119.08584	30.3
121.06548	2.8
121.10145	10.7
123.08085	3.3
123.11726	1.3
129.07053	2.0
131.08582	13.6
133.10139	12.4
135.08080	4.2
135.11690	4.6
137.05954	1.6
137.09645	2.2
142.07756	2.3
143.08572	7.5
144.09319	1.6
145.10133	19.1
147.08090	2.3
147.11681	7.0
149.09639	2.0
149.13301	3.1
151.11169	1.1
155.08577	2.3
157.10117	6.4
159.08043	1.2
159.11685	10.1
159.41002	1.0
161.09634	2.9
161.13249	7.0
163.11192	2.0
163.14833	3.0
169.10156	2.7
171.11664	5.4
173.09613	1.6
173.13257	5.9
175.11038	1.4
175.14836	6.1
177.12839	1.5
183.11729	2.3
185.13289	5.2
187.13193	0.6
187.14822	18.3
189.12729	2.5
189.16400	4.0
191.14307	2.1
195.11652	1.0
197.13242	2.4
199.14821	7.8
201.12791	1.5
201.16415	6.3
203.14299	18.0
203.18083	1.1
205.15889	4.6
211.14789	2.1
213.16405	4.6
215.14400	3.9
215.17946	2.0
217.15950	3.6
219.17464	0.9
219.40642	1.0
223.14920	1.7
225.16310	1.6
227.17908	2.2
229.15923	2.4
231.17372	2.3
233.15462	1.1
239.17984	1.3
241.19485	1.1
247.17053	1.3
271.06012	1.3
299.06259	2.0
311.08728	0.8
327.23471	1.0
403.30090	1.3
405.31729	1.4
421.31088	3.4
431.29572	1.2
439.32272	1.4
441.24594	0.9
449.30411	3.2
454.27209	0.9
455.31564	100.0
456.31842	10.5
467.31720	1.7
485.32697	1.9
496.33984	3.5
503.17963	1.8
503.33850	8.5
515.97089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01868	0.6
55.05510	4.3
57.07074	0.6
65.03942	0.5
67.05510	10.7
69.03419	1.4
69.07069	4.1
69.15382	3.2
71.04994	0.8
78.33893	0.4
79.05488	6.1
81.03436	0.9
81.07063	12.3
83.04987	0.8
83.08627	2.1
85.02914	1.6
85.06551	1.1
91.05482	7.6
93.07049	13.3
94.51115	0.4
95.04972	2.4
95.08610	31.2
96.08924	1.1
97.06545	2.4
97.10174	0.7
99.04469	0.4
99.08092	0.5
103.05478	0.8
105.04532	0.4
105.07036	17.4
107.04942	0.5
107.08602	16.9
108.08951	0.8
109.06510	2.0
109.10156	11.5
111.08080	2.7
115.05469	1.2
117.07012	3.2
119.08588	32.9
120.08894	0.9
121.06531	2.7
121.10152	11.0
122.10468	0.4
123.08062	4.5
123.11707	2.4
125.09654	1.3
125.46145	0.5
128.06265	1.4
129.06981	2.8
130.07822	0.8
131.08569	12.3
133.06508	0.8
133.10130	13.5
134.10515	0.6
135.08051	4.3
135.11691	5.5
137.09625	3.7
137.13220	0.5
141.07024	1.1
142.07799	2.0
143.08560	7.8
144.09349	1.3
145.10129	20.4
146.10410	0.5
147.08043	3.2
147.11690	7.2
147.12762	0.7
149.09644	2.6
149.13287	2.8
151.11166	1.6
155.08546	2.2
156.09335	1.5
157.10143	8.8
158.10814	0.6
159.08109	1.3
159.11703	10.2
159.68343	0.4
160.02187	0.5
161.09578	2.2
161.13272	7.6
163.07494	0.8
163.11232	1.3
163.14830	2.7
167.08589	0.8
169.10120	2.6
170.10866	0.8
171.11725	6.0
172.12408	0.8
173.09669	0.9
173.13271	8.3
175.11227	1.8
175.14813	6.7
177.12802	2.3
177.16460	1.8
179.14326	0.6
181.10124	1.1
182.11003	0.8
183.11703	2.9
185.09688	0.6
185.11705	0.8
185.13260	6.3
186.13768	0.5
187.11258	0.7
187.14828	21.2
188.15080	1.1
189.12746	2.9
189.16411	3.8
191.14290	2.6
195.11693	1.2
197.13297	2.7
198.13808	0.4
199.14809	7.1
199.16470	0.6
201.12749	1.7
201.16382	7.3
203.14325	17.6
203.18050	0.8
204.14780	0.8
205.15894	5.5
207.11710	0.8
209.13274	1.1
211.14824	2.6
213.12933	0.6
213.16373	6.2
215.14391	3.0
215.17970	2.0
217.12407	0.5
217.15834	4.0
219.17451	1.1
221.13275	0.6
223.14870	0.8
225.16461	1.6
227.14465	0.5
227.17961	2.5
229.15968	2.5
229.19521	0.5
231.17493	3.0
233.15430	1.6
233.19012	0.7
237.16359	0.6
239.18010	1.3
241.15880	0.8
241.19443	0.6
243.17537	0.7
245.15480	1.0
245.18985	0.7
247.16951	1.0
251.18127	0.7
253.15953	0.4
253.19502	1.7
259.16986	0.8
267.21097	0.7
325.33667	0.4
327.22849	0.5
349.59793	0.5
365.24722	0.5
381.23251	0.4
385.28348	0.5
391.29941	1.7
393.31577	0.7
403.29883	2.5
405.31586	1.0
408.67850	0.5
409.31030	0.8
411.32962	0.5
413.28284	0.5
419.29437	0.8
421.31125	3.4
423.32800	0.9
431.29395	1.4
439.32068	1.8
449.30450	3.1
455.31564	100.0
456.31848	10.1
467.31448	2.9
485.32510	1.5
496.34079	1.4
503.33694	9.2
504.34341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03948	1.0
55.01886	0.6
55.05509	3.4
57.07072	0.9
62.88455	0.4
63.62367	0.4
65.03935	0.9
67.05510	7.6
69.03429	0.8
69.07072	3.5
69.40014	2.4
72.10748	0.4
79.05493	4.7
80.04735	0.5
80.48679	0.5
80.49142	0.5
81.07060	8.9
83.04981	1.4
83.08622	1.9
86.63387	0.4
91.05482	7.4
93.07045	10.1
94.07349	0.5
95.04971	1.9
95.08609	25.0
96.08915	0.5
97.06535	2.0
98.22643	0.6
105.07036	12.9
107.04916	0.7
107.07874	0.7
107.08599	12.2
107.09287	0.9
109.06530	1.9
109.10162	8.4
110.35751	0.4
111.08067	2.1
115.05490	1.0
117.07035	2.4
119.08588	22.0
120.08901	0.7
121.06516	2.2
121.10149	7.8
123.08088	2.9
123.11734	2.0
125.09603	0.6
128.06218	0.6
129.06982	2.1
130.07800	0.9
130.16310	0.4
131.07675	0.8
131.08575	9.6
132.08928	0.5
133.06499	0.6
133.10130	10.9
135.08076	3.1
135.11710	3.4
137.09659	2.1
142.07788	1.4
143.08575	5.4
144.09285	0.6
145.10132	16.5
146.10484	0.6
147.08049	2.6
147.11687	6.8
149.05978	0.5
149.09639	1.9
149.13266	2.4
151.11169	1.1
155.08551	2.3
156.09370	1.1
157.10146	7.1
159.08116	0.8
159.11693	8.8
161.09560	2.3
161.13266	5.1
163.11218	1.3
163.14772	2.5
169.10146	1.9
170.10880	0.9
171.11696	4.8
172.12466	0.4
173.09663	0.6
173.13269	7.5
173.14621	0.7
175.11203	1.6
175.14839	6.4
177.12778	1.8
177.16370	1.0
179.14380	0.7
181.10138	0.7
182.10973	0.6
183.11671	2.8
185.13263	4.1
187.14825	18.0
188.15225	1.1
189.12738	2.5
189.16376	4.2
191.14301	2.2
197.13217	2.1
199.14836	5.6
201.12781	0.7
201.16403	6.8
203.14317	14.3
203.17929	0.8
204.14731	0.5
205.15897	4.7
207.11671	0.6
209.13388	1.0
211.14812	1.5
213.16388	4.7
215.14351	3.1
215.18022	1.4
217.15929	4.9
219.17384	0.7
223.14633	0.7
225.16393	1.2
227.14357	1.0
227.17946	1.9
229.15894	2.5
229.19511	0.5
231.13875	0.8
231.17365	2.6
233.15468	1.5
237.16521	0.8
239.17972	1.5
241.19595	1.1
243.17331	0.8
245.15361	0.7
245.18999	0.7
247.17033	1.2
251.17993	0.7
253.19542	1.8
255.17354	0.7
255.20947	0.5
267.21054	0.6
273.18607	0.7
299.20145	0.4
321.25790	0.5
385.28650	0.7
391.30136	1.5
403.30005	2.2
405.31488	1.0
419.29294	0.5
421.31174	3.3
423.32584	1.3
431.29437	1.2
437.30679	0.8
439.32025	1.7
449.30374	2.4
455.31573	100.0
456.31937	12.1
467.31769	2.8
485.32407	2.0
496.34390	1.4
503.33673	9.8
504.34341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01876	0.7
55.05515	3.1
57.07072	0.5
59.51228	0.4
67.05172	0.8
67.05509	9.9
69.03425	1.2
69.07077	4.8
71.04995	1.1
77.03920	0.4
79.05498	6.0
81.03433	1.2
81.07064	11.6
83.04987	0.9
83.08636	2.0
85.02905	1.3
85.06548	0.9
91.05483	8.6
93.06475	0.4
93.07056	11.5
95.04984	1.9
95.08612	26.2
96.08901	0.8
97.06532	2.0
97.10182	0.6
99.04559	0.3
99.08089	0.4
103.05515	0.4
105.07039	16.4
107.04971	0.5
107.08598	13.5
109.06529	2.0
109.10159	10.1
111.08095	2.6
115.05496	0.6
117.07005	4.0
119.08588	27.3
120.08925	1.4
121.06515	2.5
121.10150	9.0
123.08091	3.8
123.11687	2.4
125.09610	0.9
128.06264	1.3
129.07025	2.3
130.07793	0.9
131.08586	12.6
133.06511	0.6
133.10144	13.1
135.08060	3.3
135.11699	4.6
137.06015	0.6
137.09645	3.1
137.13223	0.5
139.07558	0.4
141.07024	0.7
141.09062	0.4
142.07829	1.4
143.08566	6.9
143.10817	0.4
144.09286	0.8
145.10135	17.6
146.10524	0.7
147.08069	3.2
147.11688	7.0
149.09694	1.9
149.13251	3.0
151.07602	0.5
151.11224	1.1
153.09055	0.5
155.08528	2.6
156.09335	1.1
157.10126	7.7
158.10809	1.2
159.08093	1.4
159.11708	8.8
160.12141	0.4
161.09621	2.4
161.13266	6.8
163.03963	0.5
163.07585	0.8
163.11195	1.5
163.14812	2.2
165.12759	0.5
167.08589	0.8
169.10126	2.3
170.10916	1.2
171.08032	0.4
171.11716	4.8
172.12395	0.5
173.09720	1.0
173.13277	6.8
175.11224	1.6
175.14827	6.4
177.12814	1.6
177.16438	1.6
179.14314	0.9
181.10139	0.9
182.10986	0.6
183.11734	2.3
184.12463	0.7
185.13290	5.0
186.13776	0.5
187.11366	0.8
187.14833	18.2
188.15166	0.7
189.12740	3.2
189.16414	3.3
191.14313	1.9
193.15947	0.5
195.11758	1.0
197.13242	2.7
199.09587	0.4
199.11285	0.6
199.14816	6.6
201.12823	1.1
201.16399	5.8
203.14331	16.2
203.18002	1.5
204.14668	0.8
205.15884	4.3
209.13231	0.7
211.14842	2.2
213.12863	0.5
213.16425	5.6
214.16586	0.4
215.14293	2.9
215.17976	0.9
217.15903	4.4
218.16306	0.4
219.17456	0.9
223.14893	0.7
225.16451	1.5
227.17911	2.0
229.15837	1.9
231.17403	2.3
233.15469	1.5
237.16400	0.6
237.18567	0.5
239.17982	1.7
241.15849	0.5
241.19583	0.7
245.15457	0.6
245.19156	0.6
247.16956	0.8
251.17955	1.0
253.19545	1.5
257.15781	0.4
257.19037	0.9
259.16922	0.7
265.19611	0.5
267.21146	0.8
270.90610	0.4
273.18686	0.6
279.21011	0.6
281.22583	0.5
287.05536	1.0
297.22125	0.5
333.25763	0.5
385.28622	0.6
387.30551	0.4
391.30084	1.0
403.29892	2.3
405.31577	0.7
409.31027	0.7
421.31009	2.8
423.32779	1.0
431.29523	1.1
437.30420	0.7
439.32001	1.9
449.30542	2.8
450.30890	0.5
455.31580	100.0
456.31927	10.4
459.21744	0.9
467.31616	2.9
485.32553	1.7
496.34225	1.3
503.21231	2.4
503.33466	9.2
504.33850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65369	0.3
53.03931	0.7
55.05513	2.1
57.03426	0.6
57.07054	0.7
57.89774	0.4
63.74746	0.4
65.03940	0.9
67.05179	0.6
67.05506	8.4
68.99776	0.5
69.03419	0.8
69.07077	2.9
69.24484	3.1
71.04984	1.0
79.05494	5.7
81.03397	0.8
81.07062	10.5
81.12399	0.4
83.05010	0.6
83.08595	2.0
83.43093	0.6
85.02902	0.9
85.06537	0.9
85.09626	0.5
85.82359	0.5
91.04942	0.7
91.05474	6.6
91.07283	0.6
92.42197	0.4
93.07045	11.5
94.07352	0.7
95.04950	1.6
95.08610	24.9
97.06522	1.9
101.91917	0.4
103.05453	0.9
105.03375	0.5
105.07033	14.2
107.04869	0.5
107.08598	11.9
109.06501	1.9
109.10155	9.5
111.08070	1.6
115.05437	0.7
116.48396	0.4
117.07034	2.9
119.08588	25.0
120.49577	0.4
121.06528	2.1
121.10148	9.1
123.08085	3.1
123.11681	1.9
123.37076	0.4
128.06209	1.0
129.06955	2.1
130.07762	0.6
131.08568	9.4
133.06508	0.6
133.10126	11.7
135.08083	3.1
135.11693	4.0
137.09619	2.4
141.06999	0.7
141.09099	0.6
142.07759	1.9
143.08569	6.7
144.09311	0.9
145.10129	17.1
146.10410	0.6
147.08047	2.9
147.11685	6.3
149.09595	2.1
149.13272	2.5
151.11157	0.8
153.01839	2.8
155.08553	2.2
156.09320	1.1
157.10127	6.8
158.10872	0.9
159.07976	0.8
159.11707	7.8
161.09612	2.0
161.13264	5.3
163.07581	0.9
163.11195	1.4
163.14806	2.0
169.10083	1.8
170.10864	1.0
171.11697	5.1
172.12453	1.0
173.09642	1.4
173.13283	6.5
174.70784	0.4
175.11186	0.8
175.14830	5.2
177.12732	1.5
177.16402	2.6
179.14299	0.6
181.10124	0.7
183.11642	2.1
184.12502	0.4
185.13258	4.2
187.11195	0.8
187.14828	19.2
189.12761	2.3
189.16411	3.6
191.14308	2.2
195.11641	0.7
197.13202	1.6
199.14822	6.6
201.12698	1.1
201.16394	5.7
203.14326	14.5
203.17915	0.5
204.14720	0.5
205.15852	4.4
209.13257	1.2
211.14865	2.4
213.16386	5.2
214.16620	0.6
215.14355	3.2
215.18015	1.0
217.15862	3.8
219.17365	0.8
221.13257	0.6
221.84424	0.4
223.14786	0.7
225.16350	1.6
227.17932	1.9
229.15871	2.7
229.19389	0.6
231.13698	0.8
231.17429	1.8
233.15358	1.9
237.16455	0.6
239.18028	0.9
241.19449	0.9
242.36908	0.5
243.17514	0.5
247.16966	0.9
253.19492	1.0
255.06535	78.3
255.21040	0.8
256.06891	6.7
259.17023	0.7
267.20929	0.6
327.23199	0.5
385.29132	0.5
387.30652	0.7
391.30121	1.0
403.30115	2.5
405.31525	1.4
409.31259	0.9
411.32040	0.5
419.29193	0.4
421.31146	3.7
423.32471	1.3
431.29443	1.3
437.30365	0.7
439.32288	1.3
449.30557	3.0
455.31564	100.0
456.31891	9.2
457.32977	0.7
467.31622	3.0
485.32465	1.6
496.34088	1.0
503.26233	0.4
503.33624	12.0
504.34372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01861	0.6
55.05513	2.7
57.07059	0.4
65.03955	0.6
67.05504	8.1
69.03426	0.7
69.07072	3.3
69.15968	2.3
71.04987	0.6
77.03915	0.5
79.05491	4.8
81.03441	0.5
81.07058	8.7
83.04991	0.5
83.08611	1.5
85.02907	1.0
85.06541	0.4
91.05476	5.9
93.07042	11.3
95.04976	1.6
95.08606	24.3
96.08943	0.4
97.06527	1.3
97.10139	0.5
98.23448	0.3
103.05492	0.4
105.07031	13.9
107.04953	0.5
107.08592	12.9
109.06511	1.6
109.10155	9.2
111.08087	1.6
115.05461	0.5
117.06998	3.0
119.08578	25.1
120.08923	0.8
121.06511	2.7
121.10141	8.7
123.08062	2.8
123.11694	1.7
125.05994	0.7
125.09634	0.6
128.06265	0.9
129.06975	1.9
130.07739	0.5
131.08575	9.9
133.06514	0.4
133.10130	10.4
133.69368	0.4
134.10472	0.7
135.08054	2.7
135.11696	3.1
137.05980	1.3
137.09610	2.1
141.07018	0.6
141.09058	0.5
142.07806	1.3
143.08560	5.6
144.09352	0.7
145.10118	14.3
146.10509	0.4
147.08055	2.7
147.11676	6.6
149.09592	1.8
149.13252	2.5
151.11171	0.9
155.08525	2.3
156.09396	1.1
157.10133	7.1
158.10876	1.0
159.08023	0.8
159.11697	8.1
160.12033	0.4
161.09647	2.2
161.13269	5.1
163.07503	0.7
163.11205	1.1
163.14792	2.3
167.05600	0.6
167.06995	0.4
167.08611	0.7
168.09488	0.4
169.10075	2.3
170.10936	1.4
171.11681	4.2
172.12387	0.5
173.09619	0.7
173.13290	6.5
174.13693	0.5
175.11176	1.3
175.14815	4.8
177.12778	1.2
177.16362	2.1
179.10735	0.5
179.14310	0.9
181.10106	1.0
183.11708	2.2
185.13216	4.3
185.14474	0.4
187.11243	0.7
187.14824	16.4
188.15192	0.8
189.09175	0.4
189.12729	2.2
189.16380	3.2
191.14273	2.1
193.15901	0.5
195.11739	1.0
197.13251	2.9
198.13936	0.5
199.14836	6.3
200.15298	0.4
201.12805	0.4
201.16394	5.7
203.14317	17.1
203.17938	1.2
204.14809	0.8
205.15933	4.4
207.13924	0.5
209.13313	0.9
211.14793	2.5
213.16374	5.9
215.14342	2.0
215.17929	1.8
217.15868	3.9
219.17506	0.4
221.15576	0.5
225.12700	0.4
225.16432	1.7
227.14377	1.0
227.17935	2.0
229.15855	2.6
229.19421	0.6
231.17455	3.1
233.15430	1.3
233.19154	0.4
235.16980	0.7
237.16414	0.7
239.18005	0.9
241.19550	0.6
243.17557	0.6
245.15369	1.0
245.19063	0.5
247.17055	0.8
251.17970	0.8
253.19530	1.2
255.21077	0.5
257.19034	0.7
263.18121	0.5
267.21124	0.4
281.19083	0.5
281.22607	0.5
283.20789	0.4
293.22659	0.5
373.28806	0.5
385.28870	0.5
391.20840	1.5
391.29892	1.5
393.31436	0.6
403.30051	2.2
405.31885	1.0
409.30939	0.5
413.28314	0.5
419.29565	0.5
421.31064	3.4
423.32654	1.1
431.29279	1.4
433.42255	0.3
437.30301	0.8
439.31967	1.9
449.30341	3.6
455.31555	100.0
456.31924	9.3
467.31564	2.5
485.15921	0.4
485.32635	1.5
496.34259	2.9
497.34430	0.4
503.20319	0.7
503.33725	10.5
504.33890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04570	0.4
53.03942	1.3
54.12219	0.4
55.01884	0.4
55.05515	3.7
56.12441	0.4
57.07080	0.6
65.03954	0.7
66.22099	0.4
67.05509	7.8
69.03422	1.6
69.07075	4.0
70.67986	1.0
71.04974	0.8
79.05502	6.3
81.03389	1.0
81.07066	9.1
83.04989	1.2
83.08613	1.5
85.02900	1.5
85.06560	0.8
91.05484	7.3
93.07045	10.2
95.04971	1.6
95.08611	22.5
96.08974	0.4
97.02895	0.6
97.06545	1.3
97.10178	0.5
98.13195	0.4
103.05463	1.0
105.07034	13.9
107.08593	13.0
109.06544	1.7
109.09441	0.9
109.10155	10.3
111.08089	1.5
115.05479	0.8
117.07025	3.2
119.08586	25.7
120.08865	0.5
121.06521	2.2
121.10152	9.0
123.08078	3.7
123.11699	2.1
125.09634	0.8
128.06252	1.1
129.07008	2.2
130.07759	1.2
131.08575	9.8
133.06511	0.9
133.10127	10.4
133.10886	0.4
135.08066	3.4
135.11693	4.4
137.05969	3.9
137.09590	2.4
137.13252	0.7
141.07014	0.8
141.09128	0.5
142.07779	2.0
143.08569	6.3
145.10130	16.0
147.08047	3.8
147.11688	7.4
149.06015	0.5
149.09613	1.8
149.13252	2.7
151.11169	0.8
155.08598	2.1
156.09334	1.3
157.10141	7.3
158.10902	1.0
159.08057	1.1
159.11687	9.2
161.05930	0.7
161.09624	2.5
161.13272	6.5
162.06776	0.7
163.07503	1.1
163.11172	1.3
163.14836	3.2
167.08516	0.7
169.10167	2.6
170.10954	0.7
171.08061	0.5
171.11685	4.7
173.09621	1.2
173.13284	6.1
173.29782	0.4
175.07567	1.9
175.11200	1.4
175.14854	4.8
177.05615	0.6
177.09062	0.5
177.12750	1.4
177.16420	1.5
179.14346	0.9
181.10092	0.6
181.12268	0.4
182.10942	0.6
183.11673	2.7
184.12456	0.7
184.64996	0.4
185.13286	4.5
186.13696	0.5
187.07581	0.7
187.11253	0.9
187.14839	19.6
188.15184	0.7
189.12729	2.1
189.16362	3.8
191.14354	1.6
195.11681	0.9
197.13219	2.0
199.14836	6.5
201.12714	1.4
201.16405	6.9
203.14328	15.4
203.17970	1.2
204.14676	0.6
205.15863	3.4
209.13261	0.5
211.14822	1.8
213.12840	0.8
213.16394	4.6
214.16637	0.6
215.14384	2.5
215.18040	1.6
217.15877	4.8
219.08174	0.5
219.13890	0.6
219.17526	0.9
221.15472	0.6
223.14799	0.6
225.16464	1.3
227.14317	0.8
227.18021	1.5
229.15894	2.4
231.13863	0.7
231.17461	2.5
233.15356	1.0
235.17195	0.5
237.16420	0.8
239.17929	1.2
241.15974	0.7
241.19632	0.7
243.17566	0.5
245.15536	0.6
245.19083	0.4
247.17010	0.6
251.18018	0.8
253.19568	1.2
257.19214	0.7
267.21017	0.5
277.19470	0.7
279.21072	0.8
281.22604	0.7
291.10196	1.0
297.64450	0.5
311.13010	0.6
323.12701	0.8
385.29086	0.8
391.29941	1.2
403.30148	2.3
405.31650	1.0
409.31033	0.7
421.30957	3.8
423.32516	1.5
431.29642	1.4
437.30487	0.6
439.32196	1.3
449.30408	2.6
455.31564	100.0
456.31946	9.1
467.31628	3.8
485.32681	1.9
496.34036	1.5
503.33688	11.2
504.34280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01878	1.2
55.05511	3.3
57.03435	0.8
57.07066	1.0
65.03958	0.8
67.05509	10.5
68.80388	0.5
69.03422	2.0
69.07076	3.4
71.04993	1.2
79.05496	6.8
81.03419	1.1
81.07059	11.9
83.04936	0.9
83.08618	2.2
85.02921	2.2
85.06561	0.9
87.00833	0.8
91.05478	8.0
93.07051	12.8
95.04983	1.9
95.08611	28.5
97.06537	2.4
98.23350	1.9
99.04436	0.7
103.05489	0.6
105.07035	19.0
107.04964	0.6
107.08598	15.0
108.36086	0.6
109.06528	1.7
109.10162	12.8
111.08088	2.7
115.05431	0.7
117.07040	3.9
119.08584	31.3
120.08976	0.7
121.06516	3.6
121.10138	10.6
123.08085	4.4
123.11726	2.8
125.09608	0.7
127.03974	0.8
128.06264	1.3
129.06976	3.3
130.07764	0.9
131.08568	12.1
132.08922	0.6
133.06519	0.8
133.10136	14.2
135.08057	3.9
135.11705	5.5
137.06021	0.6
137.09621	3.2
139.07539	0.6
141.06961	0.8
142.07787	1.8
143.08568	7.6
144.09332	0.8
145.10121	19.2
147.08025	3.0
147.11667	7.6
149.09630	3.0
149.13272	3.2
155.08611	2.0
156.09326	1.3
157.10120	9.0
158.10864	1.2
158.12456	0.5
158.91103	0.7
159.08017	0.7
159.11690	12.4
161.09613	2.9
161.13277	7.6
163.07596	1.2
163.11174	1.7
163.14787	2.8
169.10141	2.4
170.10887	1.0
171.11697	4.9
173.09650	0.7
173.13242	7.6
175.07625	0.7
175.11206	1.3
175.14861	6.9
177.12819	2.0
177.16490	1.9
179.10767	0.6
179.14395	0.7
181.10185	0.6
182.10828	0.8
183.11700	2.7
184.12466	0.7
185.13268	5.8
187.11194	1.2
187.14825	21.0
188.15251	1.1
189.12769	3.9
189.16370	4.3
191.14359	2.2
195.11722	0.9
197.13306	3.4
199.14832	7.0
201.12946	0.8
201.16385	7.9
203.14317	17.0
203.17920	2.9
204.14703	0.8
205.15941	5.5
209.13327	1.2
211.14844	2.0
213.16373	5.7
214.70213	0.6
215.14389	2.9
215.17952	2.1
217.15881	5.6
219.17569	1.0
223.14687	0.7
225.16399	1.3
227.14328	1.2
227.17982	2.7
229.02063	0.9
229.15958	2.8
231.17439	2.6
233.15379	1.4
237.16386	1.0
239.17978	1.4
241.19534	0.7
243.17415	0.7
245.15416	1.1
247.17010	0.8
253.19540	1.6
255.21312	0.9
257.18979	0.8
279.21045	0.7
391.29837	1.2
393.31635	0.8
403.30176	3.2
405.31580	1.1
409.31146	0.7
421.30951	3.7
423.32724	0.7
437.30594	1.5
439.32056	1.6
449.30386	3.0
455.31564	100.0
456.31931	10.2
467.31537	3.1
485.32513	2.1
496.34177	1.2
503.33688	9.6
504.33755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03943	2.6
55.01893	1.5
55.05524	9.7
57.07074	5.1
57.22560	1.6
58.87408	1.5
62.56241	1.7
66.09418	1.6
67.05510	19.6
69.07072	21.1
69.29609	5.9
69.30013	3.6
74.57326	1.9
79.05495	9.7
81.07063	46.5
82.31065	1.6
83.08625	10.0
85.06558	4.2
91.05483	11.6
93.07053	31.1
94.07407	2.7
95.04977	6.0
95.08614	76.7
96.08952	4.7
97.06528	3.8
97.10185	6.1
98.22587	2.8
105.07025	20.7
106.07324	1.9
107.08597	51.7
108.08938	4.6
109.06493	8.3
109.10165	39.2
110.10470	2.6
111.08074	5.8
111.11712	3.0
117.06987	3.4
119.08588	40.7
120.08943	4.3
121.06510	2.4
121.09290	2.8
121.10155	47.3
122.10507	2.1
123.08073	15.2
123.11717	72.4
124.08479	3.9
124.12083	3.7
125.09663	2.1
128.06201	2.2
129.07074	1.7
131.08554	11.9
133.10138	38.0
134.10539	3.2
135.08049	2.7
135.11699	49.8
137.09579	2.5
137.13263	19.3
139.07578	2.1
139.11191	3.4
143.08540	6.1
144.09215	2.1
145.10153	16.4
146.10509	2.3
147.08092	2.2
147.11685	21.2
148.12076	2.9
149.09627	3.1
149.12271	2.5
149.13284	17.9
150.13611	1.7
151.11209	5.3
151.14835	3.5
153.09106	1.9
153.12700	3.5
157.10152	11.2
158.10710	2.0
159.11679	17.1
161.09627	5.8
161.13277	15.4
163.11159	2.1
163.14844	4.4
164.15150	1.7
165.09143	1.6
165.12788	2.6
169.10188	2.1
171.11688	7.1
173.13290	18.8
174.13695	2.1
175.11244	2.7
175.14841	16.8
177.12732	2.4
177.16388	4.3
179.14250	2.0
181.12288	7.1
185.13275	6.3
187.14793	19.4
189.16385	28.5
190.16714	3.8
191.14371	3.2
191.18010	11.5
195.13744	2.0
199.14822	12.2
201.16434	9.9
202.16728	3.0
203.14301	2.2
203.17894	5.7
205.15912	2.9
205.19556	5.9
207.17477	4.5
209.19009	4.8
213.16417	2.7
214.17044	2.3
215.17955	4.9
217.15886	36.1
217.19284	2.3
219.17529	10.6
220.17699	8.1
221.18082	4.5
227.17938	5.1
233.18979	2.6
235.16917	5.5
241.19548	3.1
242.20268	1.8
243.21043	7.1
255.21194	3.8
257.22650	13.6
259.20715	2.1
273.22119	2.0
289.21555	12.3
303.23260	5.1
317.24869	1.7
379.33682	4.1
381.31677	2.5
397.34601	6.9
407.33237	8.8
415.20346	1.7
425.34186	100.0
426.34332	6.1
443.29428	2.2
443.35196	6.3
457.36517	3.9
485.35825	8.7
503.31476	5.8
503.37769	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3737
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03954	1.5
53.67330	0.9
55.05514	8.2
56.66153	0.9
57.07087	3.9
67.05507	11.8
69.07073	15.6
69.15946	5.5
71.05002	1.2
77.03936	1.1
77.28678	1.0
79.05495	7.3
81.07063	21.8
83.08620	5.6
85.06546	1.7
91.05475	9.0
93.07052	29.5
93.07621	1.7
94.07395	1.3
95.04990	3.0
95.08613	46.3
96.08966	1.6
97.06565	2.0
97.10211	2.6
99.08128	1.6
105.07037	16.4
107.08605	57.5
108.08900	2.0
109.06539	3.4
109.10163	29.6
110.10535	0.9
111.08115	2.7
111.11050	1.3
111.11700	5.5
113.09686	1.1
117.07066	1.3
119.06165	0.9
119.08592	20.6
121.06535	2.0
121.10153	47.7
122.10523	1.8
123.08091	3.0
123.11728	12.9
125.09650	1.1
129.22394	0.9
131.08626	2.5
133.10139	22.1
134.10504	1.0
135.08083	2.8
135.11707	18.5
136.12082	1.8
137.09668	2.3
137.13277	8.9
139.07515	0.8
139.11177	2.3
143.08540	1.6
145.10120	6.4
147.11693	14.6
149.09666	1.8
149.13274	59.3
150.13649	1.8
151.07620	0.9
151.11253	1.5
157.10150	2.5
159.11736	4.9
160.12198	1.0
161.09627	1.6
161.13268	9.0
163.11264	1.2
163.14888	4.0
165.12811	2.2
165.16510	1.0
167.14366	3.0
169.10249	1.5
171.11688	2.2
173.13354	3.9
175.11345	1.9
175.14850	7.6
177.12717	1.8
177.16414	6.2
179.14374	1.0
183.11800	1.3
187.14885	3.2
189.12729	1.3
189.16435	7.1
190.16792	1.1
191.18033	2.8
193.12415	1.1
193.15961	1.2
195.17546	2.7
199.14836	1.9
201.16473	2.6
203.17979	22.7
204.18367	1.3
205.12296	1.3
205.15941	1.5
207.17488	1.2
215.14207	1.0
215.18022	1.3
217.19557	1.1
219.17497	1.5
221.15427	1.8
221.19096	2.1
223.16942	1.4
229.19643	1.2
233.15431	1.2
235.16933	1.6
241.19542	1.8
243.21201	2.0
257.22736	1.1
263.20187	1.0
267.21338	1.4
278.65744	0.9
285.22253	1.4
297.18039	0.9
303.23221	1.5
331.26907	1.2
363.25525	4.5
383.33301	1.8
391.28564	2.5
407.33258	2.4
425.34503	5.1
427.32101	1.2
443.35498	1.2
485.36465	31.8
485.43250	1.8
486.36682	3.3
503.37503	100.0
504.37845	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	504.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84425	2.1
53.03942	8.5
54.12678	2.1
55.01871	7.2
55.05505	8.2
65.03939	3.7
67.05507	14.7
67.11890	2.4
69.03430	35.0
69.07071	4.6
70.65203	4.7
70.65515	2.6
71.05002	23.0
78.20156	2.3
79.05498	29.1
81.03413	9.2
81.07070	14.9
83.04987	2.4
85.02913	8.5
85.06544	6.1
87.00845	4.0
91.05489	54.9
93.07050	24.9
95.04972	8.2
95.08607	18.6
97.02918	3.0
97.06557	12.6
105.07029	37.9
106.07367	3.0
107.08598	17.6
109.06531	2.4
109.10138	7.9
111.08108	3.9
115.05430	3.5
117.07008	15.8
119.08586	31.0
120.08869	2.7
121.06456	2.7
121.10168	4.4
123.08073	9.6
127.03944	6.5
128.06198	8.8
129.07021	13.8
131.08591	14.8
132.26309	2.2
133.06482	5.5
133.10112	11.8
135.08022	4.4
135.11702	7.1
137.09660	3.8
138.04184	2.6
142.07785	8.0
143.08577	12.8
145.10120	9.1
147.08044	5.3
147.11670	3.5
155.08575	3.5
157.10132	10.6
159.11674	15.2
161.09621	9.6
161.13289	5.7
175.11203	7.1
175.14822	4.3
185.13231	7.9
187.14839	3.6
203.14323	100.0
204.14677	5.3
221.15327	7.2
422.31445	2.9
455.31583	12.5
456.31903	40.1
504.33011	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.01883	2.0
55.05520	1.9
55.40329	0.8
67.05500	8.1
69.03442	3.4
69.07067	6.3
71.04995	1.1
79.05502	4.4
81.03427	3.2
81.07059	13.8
82.96862	0.9
83.08619	1.5
85.02915	10.1
87.00835	3.7
91.05482	7.9
93.07050	8.7
95.08611	20.6
97.02888	4.5
98.50797	1.0
98.97583	1.6
99.04486	1.5
105.01888	2.5
105.07039	13.4
107.08609	8.4
109.02880	2.2
109.10166	22.9
112.99152	1.0
119.08589	13.0
121.10152	12.3
123.11732	11.2
127.03938	5.9
131.08589	2.1
133.10141	15.4
135.11699	4.3
137.05978	3.4
143.08604	1.5
145.05006	3.3
145.10121	2.8
147.11693	18.9
149.13268	9.0
157.10155	1.0
159.02934	1.7
159.11696	1.3
161.13254	8.0
175.14821	4.8
181.05029	1.4
187.14896	1.4
201.16338	1.1
203.17963	100.0
204.18320	4.3
205.19507	11.9
221.19025	5.4
235.21341	0.8
299.09540	2.2
346.63422	1.0
456.31982	8.2
461.15622	2.4
505.14493	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.6
55.01875	11.6
55.05513	7.9
55.66937	5.4
67.05516	44.8
69.03423	24.1
69.07072	12.0
69.62685	28.7
79.05487	24.6
81.03396	34.0
81.07063	77.5
83.08618	6.7
85.02914	87.0
87.00826	29.3
91.05482	42.4
93.07047	51.8
94.07370	6.3
94.08274	6.2
95.04988	8.2
95.08610	81.9
97.02896	25.5
98.23257	11.9
99.04453	14.6
105.01851	27.6
105.07036	61.7
106.07342	6.4
107.08601	91.5
108.08932	7.7
109.02889	38.0
109.06493	6.2
109.10144	66.3
117.01820	6.3
119.08574	70.3
120.08932	6.5
121.10140	35.2
121.22286	6.4
122.03716	7.6
122.10497	6.5
123.11714	13.5
127.03928	71.5
131.08565	14.3
133.10138	36.4
135.08012	7.2
135.11690	14.6
137.05965	49.5
145.04956	24.7
145.10161	8.9
146.10559	8.5
147.11699	47.4
159.02937	25.3
159.11685	9.1
161.06107	11.1
161.13300	19.2
163.14827	10.1
163.49953	6.4
164.31781	6.5
167.06990	5.6
175.04617	6.1
175.14822	14.0
187.14832	11.8
188.15121	9.9
201.16508	8.3
203.14198	8.0
203.17961	86.4
204.14804	6.4
209.82603	6.6
219.41809	6.9
373.40225	6.6
403.64359	7.1
411.12415	6.2
427.15768	10.8
455.14935	14.0
456.31900	100.0
487.17798	7.6
504.33926	7.7
505.20166	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14994	6.2
54.81926	7.4
55.05500	25.3
57.03429	7.2
57.07080	12.1
67.05512	43.6
69.03426	27.2
69.07070	100.0
79.05491	30.9
81.03429	14.4
81.07067	81.4
83.08612	13.8
85.02911	38.0
85.06543	13.7
87.00829	13.0
91.05470	33.6
93.07040	57.4
95.08598	79.6
97.02901	14.9
97.06546	11.7
105.07037	60.2
107.04934	11.0
107.08591	50.2
109.10165	67.2
110.10494	8.3
111.08090	10.3
111.11720	8.7
117.07011	7.0
119.08569	65.8
121.06498	9.2
121.10133	45.2
123.08012	13.9
123.11724	24.3
127.03930	19.2
129.07024	7.8
131.08565	23.0
133.10159	39.4
135.08052	10.2
135.11725	38.2
137.09627	11.1
143.08569	11.5
145.05002	12.3
145.10133	28.9
147.08015	7.5
147.11700	36.4
147.99846	6.7
149.09673	9.1
149.13249	14.0
157.10187	11.5
159.02979	6.6
159.11703	16.5
160.12096	6.9
161.09641	7.8
161.13258	18.7
163.14827	12.8
169.10054	7.8
173.09665	6.6
173.13362	10.9
175.14867	12.1
187.14813	20.7
199.14870	11.5
203.14465	12.9
203.17960	34.6
204.14857	7.8
205.15858	6.8
233.42746	6.9
383.29340	12.3
391.87039	6.8
401.30307	7.8
450.30637	8.2
456.31937	90.6
487.30588	23.1
504.34232	8.9
505.31732	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01871	3.8
55.05515	9.5
65.03928	2.2
67.05505	15.0
69.03433	5.5
69.07086	9.1
70.06585	1.8
70.33681	1.4
71.04987	2.8
71.83971	1.3
79.05499	7.6
81.03408	5.0
81.07060	24.2
83.08636	3.3
85.02909	16.6
87.00832	5.0
87.04489	1.3
91.05480	12.2
93.07050	14.4
95.08607	37.4
96.08972	1.6
97.02898	5.5
97.06536	1.5
99.04440	2.7
99.71641	1.5
103.05462	1.5
105.01868	3.9
105.07036	45.9
106.07433	1.9
107.08586	12.6
109.02887	5.9
109.10158	33.9
111.08096	3.2
117.07001	3.4
119.08586	54.8
120.08951	3.0
121.10165	11.5
123.08086	1.3
123.11709	34.8
127.03922	8.9
129.01813	1.5
131.08551	6.8
133.10136	26.3
134.10487	1.6
135.08066	1.3
135.11690	4.7
137.05916	4.7
140.36143	1.2
141.06786	1.3
145.04965	4.0
145.10127	5.2
147.08055	1.3
147.11693	43.5
148.12137	1.4
157.10176	1.4
158.10567	1.4
159.02872	2.2
159.08066	2.0
159.11742	3.2
160.12427	1.8
161.09547	1.3
161.13252	11.3
163.06018	1.4
166.95250	1.3
167.07045	2.6
169.04674	2.6
171.11568	1.4
173.13316	2.3
175.14850	3.6
187.14824	2.9
188.15251	1.4
203.17966	100.0
204.18271	6.2
221.18929	6.8
289.05225	1.7
339.53638	1.3
376.67868	1.4
411.71130	1.4
419.16910	3.1
443.15796	1.8
456.31961	16.8
461.17886	13.8
504.22162	2.0
504.33939	2.3
505.16751	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	504.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.3
55.05505	24.7
55.36581	6.4
57.07087	8.7
61.02923	8.4
67.05505	75.4
69.07060	25.1
69.80491	12.9
69.80865	26.8
71.04987	7.8
79.05501	63.4
81.03425	9.5
81.07063	75.9
83.04955	9.7
83.08629	11.7
85.02902	7.8
91.05473	55.2
91.44122	6.6
93.07041	100.0
95.04975	7.6
95.08611	56.9
96.08945	6.9
99.04456	8.1
99.08121	9.9
105.07018	41.3
106.07369	7.1
107.08598	73.5
109.06527	12.4
109.10140	38.7
111.74216	6.4
113.09618	7.7
117.07031	29.6
119.08577	30.1
121.10147	65.0
123.08088	12.5
123.11716	26.3
131.08568	42.1
133.10136	47.9
135.08046	10.7
135.11665	69.8
137.09618	10.9
139.11160	7.1
145.10123	47.1
147.07939	7.3
147.11659	25.0
149.13260	36.5
157.10127	9.6
159.11710	39.7
161.13260	10.9
171.11694	11.1
173.13258	19.9
181.12286	6.5
187.14822	13.6
189.16371	10.0
205.19569	9.2
215.17920	73.5
220.82083	7.4
224.36308	7.1
233.18985	61.5
307.22589	7.6
325.23560	13.1
377.23151	13.1
469.29276	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	504.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61712	2.8
53.03958	4.2
55.05506	16.0
57.07071	6.4
60.96183	2.4
65.06186	2.4
67.05506	20.7
69.03423	3.2
69.06778	2.7
69.07078	25.8
70.46597	4.6
71.04636	2.5
71.04987	16.6
77.03923	3.5
79.05490	16.6
81.07058	51.9
83.08625	7.7
85.06543	5.2
91.05470	17.8
93.07045	46.8
95.04961	10.0
95.08606	81.7
96.08932	4.6
97.06534	60.7
99.04465	23.0
99.08101	28.5
105.07040	41.9
107.08595	59.9
109.06502	12.7
109.10160	44.6
111.08100	9.0
114.16669	2.5
115.06540	2.6
115.07486	2.9
115.53843	2.3
117.06989	6.3
119.08580	100.0
121.06517	5.7
121.10139	43.4
123.08078	15.1
123.11714	23.9
125.09686	12.7
125.10532	2.6
127.07597	5.4
129.07083	2.5
131.08569	17.1
132.04285	2.7
133.10143	56.6
135.08054	33.1
135.11703	40.3
137.09605	15.7
137.13255	12.1
139.11171	7.3
142.07759	3.6
143.08556	8.0
144.09329	3.4
145.10121	24.7
147.08075	20.5
147.11685	32.8
149.09634	21.1
149.13278	20.3
151.11205	4.2
151.14839	9.4
155.08653	4.7
155.10667	42.7
156.09290	2.7
157.10139	10.8
159.08072	3.3
159.11711	34.9
161.09665	16.6
161.13258	21.4
163.11189	9.6
163.14850	4.2
169.10156	3.7
171.11688	16.4
173.09657	7.4
173.13281	20.4
175.11168	15.4
175.14804	25.3
177.12772	10.0
177.16376	4.2
182.10945	3.0
183.11655	8.4
185.13318	8.7
187.11205	15.4
187.14859	12.8
189.12753	9.6
189.16388	99.2
190.16736	4.4
191.17923	3.7
195.11850	2.8
195.13771	3.5
197.13333	13.3
199.14867	8.0
201.12753	10.1
201.16437	7.4
203.14377	8.2
203.17935	5.5
205.12228	16.1
209.13264	3.5
211.14803	5.9
213.12830	5.4
213.16339	6.5
215.14316	8.8
217.15913	6.8
219.13875	6.6
221.15349	2.7
223.14850	4.7
225.16443	5.0
227.14371	4.1
227.17958	8.2
229.15842	8.4
229.19379	2.8
241.15944	6.5
245.18948	3.7
249.18607	5.5
253.15881	3.1
255.17509	8.0
255.21062	4.5
257.19159	2.9
265.19498	4.1
267.21082	3.5
269.19070	4.3
271.16907	5.0
271.20630	5.3
273.18610	3.5
285.22037	6.6
299.23645	16.0
311.23578	3.4
333.25595	4.2
339.26694	5.3
351.26901	6.5
357.27893	6.3
359.25735	7.4
381.31631	3.2
391.29993	24.7
409.31006	66.0
410.31296	4.0
423.57520	3.0
427.32086	89.9
428.32257	9.4
451.32031	10.4
469.33154	21.6
487.34265	39.1
504.37015	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	505.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	6.1
57.04243	1.9
60.32755	2.1
67.05492	6.9
67.48609	2.1
69.03409	2.6
69.07066	2.6
79.05479	4.9
81.03434	2.8
81.07063	11.0
83.08605	2.9
84.96044	2.5
85.02896	7.5
87.00805	2.9
91.05501	11.7
93.07019	8.1
93.17944	2.1
93.41092	2.1
95.04969	2.0
95.08611	17.1
96.08984	1.9
97.02893	2.7
97.06600	2.3
98.23361	5.2
98.97601	10.1
99.04449	2.9
105.03375	5.0
105.07030	15.6
105.40148	2.0
107.08591	7.0
109.10158	13.5
110.10462	3.0
111.08141	2.3
112.99158	3.6
115.05477	2.7
116.98583	2.7
117.06940	2.2
119.08555	9.3
121.10111	8.1
123.08054	2.7
123.11679	7.0
131.00200	2.3
131.08481	2.8
133.10103	9.0
135.11685	4.6
137.05980	15.8
143.08464	3.1
145.10139	4.2
147.11676	12.5
148.12022	3.1
149.13312	5.2
150.13568	2.6
158.99596	4.0
159.11681	3.3
161.13237	5.6
162.13617	2.5
167.07063	4.1
173.01244	3.9
175.07477	2.7
175.14842	3.1
176.64429	2.1
177.00722	4.6
182.10529	2.2
187.14807	3.8
191.02249	2.8
191.08698	2.2
201.00652	2.0
203.13971	2.0
203.16145	3.6
203.17969	40.0
204.18297	27.0
205.19521	5.3
206.19803	3.6
221.18979	3.2
268.07217	3.0
283.09601	4.0
299.09436	9.2
303.01093	4.9
317.10556	3.3
340.12238	2.7
384.58875	2.3
451.31937	2.0
456.31799	4.9
457.32471	2.2
461.15601	21.0
461.21100	3.2
505.14435	100.0
506.14938	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	505.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42052	1.3
51.62426	1.3
54.76645	1.3
67.05497	2.4
69.07088	1.2
72.34686	1.2
79.05479	2.0
81.07030	2.2
91.05469	3.6
93.07042	4.3
95.08616	8.0
96.08936	1.9
98.22641	3.9
99.63301	1.4
105.07021	4.8
107.08585	5.2
108.08888	1.4
109.10151	3.6
119.08557	9.7
120.08892	4.1
121.06487	1.4
121.10134	2.1
131.08536	4.2
132.08920	1.7
133.10106	3.7
135.11696	1.6
137.05977	3.0
143.08571	2.1
145.10117	4.5
146.10542	1.9
147.11687	1.8
157.10150	1.7
158.10535	1.6
159.11716	3.3
161.13165	2.1
167.07101	1.6
173.13229	2.1
185.13234	2.1
187.14850	4.3
188.15176	3.3
203.14417	2.8
204.14777	2.3
206.16173	1.9
213.16331	1.5
283.09814	1.6
303.01035	2.2
455.31851	2.2
456.31931	34.1
457.32147	19.1
461.15747	18.3
504.33893	2.4
505.14651	100.0
506.14899	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.35785	0.7
55.01866	0.7
55.05510	3.8
56.05830	1.2
57.03418	0.9
57.07057	1.1
65.03918	0.7
67.05505	9.6
68.05825	1.9
69.03423	1.5
69.07068	3.9
70.06515	0.6
70.07398	0.7
71.04966	0.9
71.08604	0.7
71.31915	1.0
72.08140	0.7
77.03915	1.0
79.05479	5.7
80.05832	1.2
81.03414	1.4
81.07061	11.3
82.07394	2.0
83.04968	0.9
83.08611	2.0
84.08958	0.9
85.02910	2.4
85.06527	0.9
91.05466	7.6
92.05799	1.9
93.07043	9.6
94.07408	3.2
95.04964	2.3
95.08606	24.9
96.08931	9.2
97.06525	1.7
97.10172	0.8
105.07033	14.7
106.07366	6.5
107.08592	11.3
108.08949	4.6
109.06506	2.2
109.10146	9.8
110.09785	0.7
110.10457	4.4
111.08097	2.3
117.07001	3.1
118.07325	1.4
119.08579	21.8
120.08092	0.8
120.08919	11.8
121.06513	2.1
121.10147	8.2
122.06843	1.0
122.10477	4.0
123.08071	2.8
123.11701	3.5
124.08388	1.3
124.12021	0.7
125.09638	1.7
127.03822	0.8
128.06212	1.5
129.06964	2.4
131.05019	0.9
131.08572	9.3
132.08904	3.7
133.09216	1.0
133.10130	11.4
134.10451	6.5
135.08022	3.3
135.11685	3.8
136.08435	1.5
136.12007	1.6
137.05968	3.1
137.09564	1.7
139.07550	0.6
142.07780	1.6
143.08609	4.7
144.08911	2.9
145.10143	11.7
146.10471	6.9
147.08012	2.5
147.11702	5.4
148.08456	0.8
148.12039	2.9
149.09570	1.4
149.13298	1.5
150.10051	1.0
150.13591	0.9
155.08534	1.2
156.09116	1.9
157.10139	5.8
158.10483	3.7
159.08049	0.8
159.10796	0.6
159.11736	6.5
159.85217	0.7
160.11980	3.8
161.06029	0.9
161.09624	2.0
161.13297	4.2
162.09959	1.2
162.13606	3.6
163.07535	1.1
163.11142	1.2
163.14853	1.5
164.15096	0.8
166.08644	0.7
169.10110	1.1
170.10513	1.3
171.11763	3.4
172.12071	1.5
173.09665	0.7
173.13240	4.6
174.13605	2.9
175.11194	1.3
175.14857	4.4
176.11581	0.7
176.15173	3.1
177.12830	1.6
177.16348	1.7
178.13025	0.7
178.16733	0.9
183.11664	1.6
184.12198	1.4
185.13246	3.2
186.13594	2.3
187.14851	11.2
188.11522	0.8
188.15172	9.2
189.12715	1.3
189.16457	1.6
190.13072	1.5
190.16760	3.1
192.14647	1.5
197.13333	1.0
198.13728	0.9
199.14890	3.3
200.15149	4.4
201.12679	1.0
201.16490	4.0
202.16724	3.4
203.14322	9.5
203.17949	1.7
204.14619	7.6
204.18288	1.4
205.15808	2.2
206.16219	2.2
209.13051	0.7
210.13937	0.7
211.14777	1.5
211.16800	1.5
212.17300	1.0
213.16389	2.1
214.16765	3.2
215.14413	1.1
215.17883	1.1
216.14693	2.0
216.18225	0.9
217.15891	2.7
218.16252	2.8
226.16695	1.2
227.18031	1.5
228.18272	1.6
229.15918	1.0
230.16095	0.9
232.17815	1.4
242.19734	0.8
257.11487	7.6
276.31259	0.7
285.10873	1.4
316.42563	0.7
392.30139	1.8
404.30185	2.0
405.30942	0.8
406.31989	0.9
419.16779	8.6
422.31369	3.7
423.31644	1.5
433.30161	0.9
440.32672	1.2
441.32770	0.9
450.30981	3.3
451.31296	0.9
455.31433	5.4
456.31885	94.0
457.32184	42.0
458.32355	1.4
461.17801	46.1
462.18011	2.2
468.31842	2.0
469.32306	1.3
486.33081	1.5
487.33173	0.8
497.34573	1.3
498.35303	0.9
504.33972	8.4
505.16763	100.0
506.17087	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	505.1957
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
56.96566	31.7
67.93331	0.8
70.06606	1.9
71.20141	2.1
71.95273	0.8
74.97621	1.2
81.03411	1.1
82.41410	0.9
84.08123	0.8
84.96052	2.0
85.02914	2.5
91.05510	1.4
98.97587	78.0
101.01398	0.9
110.97585	5.5
112.99132	1.0
115.00674	4.6
116.98627	27.8
118.23166	0.8
119.04966	1.8
123.08092	0.9
127.00748	1.6
127.03841	1.4
128.98628	6.4
129.10298	1.2
133.01752	1.6
134.99640	6.0
137.02328	5.6
139.00720	1.0
140.98625	1.3
141.02235	21.6
141.36578	1.0
143.00186	2.6
145.01740	1.2
146.99673	1.5
147.03294	1.5
147.04390	7.6
147.34773	1.0
155.03877	2.4
157.01775	1.9
158.99651	13.7
159.00844	1.3
159.03302	23.6
161.01251	2.1
163.98047	0.9
165.02377	0.9
166.03020	2.3
169.01785	1.1
173.04968	2.6
175.02785	1.6
177.00717	13.9
177.04385	3.5
179.03781	2.7
181.02054	0.9
181.05305	1.3
183.03293	2.1
184.04085	8.5
185.04947	4.1
187.02740	1.1
187.99847	1.0
193.05408	0.9
195.01744	1.0
195.06964	3.8
197.04921	3.0
199.02890	1.0
199.06462	1.9
201.04417	3.1
202.05095	5.6
203.05949	3.7
205.05402	1.6
209.04884	4.7
211.06439	2.2
212.03615	1.7
213.07968	8.6
215.05960	1.2
219.01740	7.7
219.03534	1.0
221.08530	2.3
223.06462	1.2
224.03778	1.3
225.08037	2.1
227.05911	11.3
229.07516	2.2
231.09045	4.9
234.04317	1.0
237.02811	12.0
237.08040	1.2
239.09605	3.8
242.04825	1.2
243.09126	1.2
245.06987	2.4
247.10074	12.4
249.07996	2.6
255.09090	2.1
265.11124	82.2
266.11536	3.4
267.09140	4.9
281.10596	1.3
283.09036	2.0
283.12177	40.1
288.12769	1.8
289.11194	2.6
301.13318	3.0
307.12170	64.3
308.12561	2.9
325.13235	22.4
343.14127	2.6
345.71829	1.0
348.14880	1.2
348.72668	1.0
357.12146	1.0
375.13333	1.8
427.16422	19.2
445.17477	77.0
446.17819	4.6
463.18582	4.1
505.19553	100.0
506.20074	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	505.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05510	1.4
65.03954	0.5
67.05506	1.3
69.03431	0.7
79.05495	1.2
81.07058	2.0
85.02901	0.9
86.09700	1.2
91.05500	1.2
93.07056	1.6
95.08598	2.7
105.07030	1.4
106.07388	0.7
107.04955	0.6
107.08622	2.1
109.06532	0.5
109.10094	1.1
110.10525	0.6
115.05466	0.5
117.07120	0.5
117.57366	0.5
119.08585	3.2
120.08105	0.9
120.08919	1.0
121.10187	1.1
131.04921	0.6
131.08600	1.4
133.10194	1.2
135.08043	0.7
137.06015	3.2
143.08572	0.5
145.10188	1.3
147.11732	0.8
153.05522	0.5
159.11754	0.9
161.05992	0.7
166.08662	1.0
167.07065	0.8
173.13257	1.1
175.14963	0.6
181.05000	1.1
187.14854	1.3
189.16397	0.5
199.14922	0.5
203.14325	1.2
203.17903	0.7
204.18457	0.9
217.15936	0.7
227.05270	0.7
229.10309	0.8
245.06340	0.8
271.04202	0.6
289.05325	3.8
297.11234	0.5
313.11267	0.5
341.10745	0.6
419.20493	4.2
451.15674	0.5
456.32257	2.3
457.32309	4.6
461.21671	20.8
462.22134	2.0
505.20514	100.0
506.20908	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70214	0.3
55.01863	0.4
55.05515	11.5
56.65238	0.3
57.03441	4.5
57.07082	4.3
67.05507	4.0
69.07072	13.9
69.15932	1.4
69.16364	1.4
71.08628	2.3
73.81670	0.4
79.05495	2.5
81.07061	4.6
83.04962	0.7
83.08617	9.8
85.10157	0.9
91.05494	1.4
93.07050	3.6
95.04967	0.6
95.08606	4.9
97.06535	1.5
97.10170	6.1
98.23364	0.7
105.07029	1.6
107.08607	3.7
109.06552	0.4
109.10165	3.4
110.23911	0.4
111.08107	0.6
111.11728	1.6
115.03695	1.5
119.08599	2.3
120.96613	0.7
121.10142	5.4
122.10497	0.4
123.08088	0.5
123.11736	2.1
125.09644	0.6
125.13328	0.5
131.08551	0.7
133.10110	2.3
135.08070	0.6
135.11710	2.4
137.09625	0.7
137.13268	0.8
139.11214	0.4
143.08595	0.6
145.10114	0.8
147.11705	1.4
149.09621	0.5
149.13260	1.1
151.07521	0.6
156.97484	0.5
159.11682	1.9
161.09605	0.5
161.13283	1.0
163.11169	0.4
163.14836	0.6
171.11687	0.5
173.13260	1.1
176.99214	4.1
177.12723	0.9
177.16496	0.4
181.12355	0.5
187.14752	0.8
189.16351	1.4
195.00308	100.0
196.00696	1.0
201.16313	0.7
203.14299	0.5
203.17967	0.5
213.00075	0.9
219.13710	0.7
221.83209	0.3
237.14900	1.1
237.59096	0.4
260.87161	0.4
269.04102	0.5
269.18988	0.4
271.79626	0.4
279.15909	0.7
311.25790	17.0
312.26099	0.6
333.24097	0.6
409.30701	0.6
413.20789	0.7
427.31940	0.9
451.32089	0.4
452.32651	0.6
469.33438	0.9
487.24100	0.9
487.33920	1.3
488.23431	0.4
505.25110	9.3
505.36383	0.6
506.25488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.3
67.05497	10.5
69.03433	15.1
69.07065	17.7
69.23106	42.0
69.23505	11.4
71.05000	12.5
72.84388	6.4
79.05495	23.6
79.66530	5.2
81.03441	5.7
81.07053	100.0
82.13436	5.2
83.08640	6.9
83.36202	5.2
85.02900	30.8
87.00837	20.0
91.05499	17.8
93.07056	39.1
95.04946	5.2
95.08628	29.9
97.02944	7.4
97.10152	6.2
105.01871	25.2
105.07035	38.1
107.08595	52.8
109.02912	8.9
109.10153	41.1
116.38510	5.6
117.07085	5.9
119.08578	64.1
121.10156	13.4
123.11724	17.3
127.03934	15.3
127.11211	12.4
133.10141	37.6
135.11702	89.0
143.08565	7.5
143.10669	17.8
145.04959	11.6
145.10129	8.1
147.11696	22.2
161.13266	11.1
161.91699	5.7
173.13184	6.8
187.07460	5.7
193.28087	5.3
203.17952	50.9
221.19054	21.4
223.18536	5.2
238.79070	6.5
281.21539	5.3
374.93546	6.8
457.32385	18.2
505.20193	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	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	24.5
71.04984	23.9
71.20824	39.9
79.05508	38.8
81.07076	100.0
81.07455	15.4
85.02908	28.4
91.05496	22.3
93.07056	49.7
95.08615	58.6
105.07043	53.1
107.08606	66.5
109.10165	31.6
119.08615	54.3
123.11663	20.8
127.03957	26.7
133.10150	26.7
135.11697	68.2
136.12108	18.5
143.10638	19.3
145.10098	17.5
147.11678	25.5
161.13312	18.3
203.17981	51.1
221.18964	24.5
396.41049	16.9
457.32623	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	505.3161
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
51.53968	1.9
53.03947	8.3
55.01468	1.9
55.01874	4.8
55.05511	27.7
57.03447	3.1
57.07074	9.8
61.02926	4.4
65.03944	3.4
67.05508	47.0
68.99791	5.3
69.03430	42.7
69.07072	44.9
69.07413	1.3
69.68795	4.1
69.69205	7.6
71.05012	4.3
71.08628	2.5
79.05493	31.3
79.85093	1.7
81.03423	29.8
81.07058	100.0
83.04993	7.5
83.08621	18.0
85.02904	23.3
85.06547	10.4
86.06762	1.8
87.00834	9.2
87.04494	2.3
91.05472	22.4
93.07043	40.5
95.04967	15.2
95.08608	95.5
97.02905	11.1
97.06544	23.1
97.09631	2.0
97.10155	10.2
99.04463	3.8
99.08121	3.3
103.05433	3.2
105.07027	34.0
107.04971	6.9
107.08594	44.3
109.02893	5.2
109.06533	9.4
109.10158	59.1
110.10519	2.6
111.04462	7.8
111.08070	14.9
111.11734	8.6
115.03926	3.1
117.07003	8.8
119.08578	38.7
121.06513	7.9
121.10144	35.1
123.04460	5.3
123.08096	6.8
123.11707	34.2
125.06023	3.0
125.09630	4.4
125.13306	2.6
127.03938	6.3
128.06229	2.6
129.07014	6.4
130.07790	2.0
131.08617	13.7
133.06512	3.3
133.10133	22.3
135.08069	8.1
135.11685	20.2
137.05949	3.8
137.09610	9.0
137.13226	17.8
139.07497	2.3
139.11176	2.5
141.07027	3.9
142.07809	3.6
143.08545	9.3
145.10144	18.8
147.08075	8.1
147.11693	14.4
149.09673	6.2
149.13268	19.9
151.07620	3.3
151.14778	3.6
153.09070	2.2
155.08542	2.4
156.09325	2.6
157.10130	8.8
159.02968	4.0
159.08081	3.3
159.11681	13.0
161.09676	6.6
161.13278	12.1
163.11182	4.9
163.14819	11.6
165.09094	12.6
165.12836	2.9
169.10083	3.4
171.11679	6.7
173.09682	5.7
173.13280	11.3
175.11168	4.0
175.14859	8.6
177.09154	4.3
177.12784	2.5
177.16411	8.7
179.10715	3.8
185.09705	3.0
185.13281	4.9
187.11255	3.2
187.14864	6.1
189.12766	3.6
189.16389	4.6
191.10629	3.7
191.17946	5.3
195.11748	2.8
199.14807	3.8
201.03964	4.1
201.12669	3.6
201.16429	3.2
203.18002	4.4
211.14861	4.5
213.12808	3.1
215.14383	2.3
215.17938	2.7
225.16267	2.5
227.17847	2.2
231.05234	2.1
231.13837	3.0
243.21077	2.5
245.15460	3.4
245.18977	2.0
285.25797	5.6
287.27554	2.8
315.26804	4.4
327.26675	2.8
333.27899	2.5
359.29327	4.3
365.28659	5.1
383.29373	22.8
384.29999	3.0
401.30594	17.5
451.50134	1.9
469.29385	5.0
487.30493	29.0
488.30963	3.3
496.50491	2.0
505.14291	2.8
505.20654	3.0
505.31525	30.9
506.31970	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
53.14061	0.3
55.01887	0.5
55.05519	4.4
56.05852	0.2
57.03436	1.7
57.07089	1.3
63.02386	0.4
67.05511	3.2
69.07071	5.4
69.50452	1.3
69.50857	0.5
71.08636	0.8
78.04697	0.3
79.05499	2.1
81.07064	4.3
81.07516	0.3
83.04992	0.4
83.08622	3.0
85.06552	0.4
89.03925	6.6
89.04473	0.3
91.05463	1.3
93.07047	3.0
95.04982	0.5
95.08614	4.9
96.08950	0.3
97.06545	0.8
97.10165	1.6
98.23223	0.5
99.08089	0.3
103.05482	0.4
105.03389	0.4
105.07037	2.0
107.08600	3.6
109.06525	0.8
109.10167	2.8
111.08089	0.8
111.11716	0.5
117.03385	16.7
117.07034	0.4
118.03737	0.4
119.08604	2.8
120.08965	0.4
121.06548	0.3
121.10145	3.2
123.08067	0.5
123.11700	1.7
125.05975	0.3
125.09616	0.6
129.06967	0.3
131.08612	0.9
133.10144	2.0
134.03661	1.4
135.04402	0.9
135.08076	0.6
135.11688	2.3
137.13254	1.0
143.08553	0.4
145.02855	44.3
145.10123	1.1
146.03203	1.2
147.08081	0.3
147.11690	1.5
149.02280	0.2
149.05991	6.1
149.09627	0.7
149.13298	0.8
151.11179	0.3
153.09187	0.3
157.10085	0.6
159.11719	1.1
161.09596	0.3
161.13246	0.7
162.03192	0.3
163.03900	0.8
163.11182	0.4
163.14821	0.5
165.12685	0.3
169.10094	0.4
171.11739	0.6
173.09610	0.3
173.11830	0.2
173.13257	0.7
175.11224	0.6
175.14871	0.7
176.99289	0.9
177.05476	100.0
178.05849	2.7
181.12192	0.4
186.05545	1.9
187.14839	0.8
189.12860	0.3
189.16377	1.2
190.16605	0.4
191.14348	0.3
191.17993	0.3
195.00319	13.4
195.06509	1.1
199.14810	0.3
201.16367	0.6
203.18073	0.4
205.16124	0.3
217.15892	0.4
225.16411	0.3
233.15280	0.6
241.19537	0.3
243.17592	0.3
243.91110	0.3
311.25830	2.5
409.30887	0.5
413.20563	0.3
425.34268	0.6
427.32162	0.5
443.35025	0.5
444.01718	0.3
445.32809	0.7
452.32175	0.3
469.32968	0.5
470.33627	0.4
487.33975	0.8
501.24390	0.3
505.25113	1.5
505.31546	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.5
55.05500	31.0
57.07077	12.1
67.05508	49.3
69.03429	23.4
69.07070	37.2
71.05002	18.8
71.30970	8.6
72.08141	7.2
79.05498	33.5
81.03416	11.4
81.07061	100.0
83.04977	50.6
83.08629	16.8
85.02913	38.6
85.06561	10.6
87.00800	6.8
91.05481	29.2
93.07050	56.6
95.04977	34.6
95.08607	85.2
97.02902	12.9
97.06535	22.1
97.10175	10.3
99.08113	6.8
103.25926	6.1
105.03389	27.5
105.07036	49.4
107.08584	51.6
108.94640	6.1
109.02882	10.1
109.06573	8.0
109.10162	71.6
111.11713	10.3
112.80574	6.7
113.06018	27.4
119.08582	50.8
121.10131	46.4
123.04445	25.8
123.08081	15.5
123.11713	33.7
125.09592	11.1
127.03929	11.5
131.08583	15.9
133.10135	34.0
135.08055	12.3
135.11687	22.1
137.05972	20.8
137.09630	8.8
137.13254	13.9
143.08548	12.8
145.04933	15.7
145.10098	22.2
147.11720	27.5
149.09593	9.2
149.13275	19.7
151.11156	8.2
156.09296	7.7
157.10028	9.0
159.11731	21.5
161.13304	17.1
163.03879	23.1
163.07579	8.3
163.11208	7.6
163.14833	12.3
169.44576	6.7
171.11656	9.5
173.13290	11.7
175.14845	9.2
177.09119	16.2
181.08530	8.9
183.11732	7.3
185.13210	7.7
189.16405	7.7
195.10188	17.2
205.12199	21.3
205.19579	8.2
223.13280	10.2
233.19420	6.4
241.14203	6.5
271.24084	10.3
289.25223	13.5
292.17703	6.4
307.26212	24.1
439.28357	22.1
451.28354	9.9
457.32156	31.4
469.29318	10.7
487.30783	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	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.3
55.01867	14.4
55.05510	15.1
56.97195	8.1
57.96865	8.0
66.78741	7.2
67.05508	28.6
69.05909	21.4
69.06314	53.2
69.07069	29.3
79.05497	27.5
81.03437	8.4
81.07063	53.8
85.02895	24.4
88.27105	8.1
91.05468	39.6
93.07068	34.4
95.04980	16.6
95.08608	86.6
96.08948	11.1
97.02921	10.7
97.06544	12.4
105.03357	10.8
105.07042	65.3
106.07384	9.1
107.04979	13.2
107.08598	71.7
109.10165	41.9
110.09682	11.3
115.05445	8.9
117.07052	12.1
119.08585	100.0
120.08160	13.4
120.08930	17.6
121.10169	60.1
123.08121	10.8
123.11716	23.6
131.04903	12.9
131.08601	47.3
133.02835	13.8
133.06396	9.2
133.10147	60.2
134.10503	8.1
135.08093	15.4
135.11707	18.8
137.06004	69.3
137.09627	14.7
138.06473	8.9
143.08572	19.0
145.10123	80.4
146.10484	11.6
147.11691	25.8
149.06032	12.6
151.07565	13.4
157.10185	28.2
159.11737	43.8
161.05994	13.2
161.13234	23.8
163.07544	16.3
166.08618	15.9
167.07071	41.2
170.10826	8.8
171.11635	22.5
172.03696	9.5
173.13258	33.3
175.07568	12.7
175.11246	8.2
175.14946	11.8
177.16508	14.7
180.48369	8.1
181.04971	12.3
181.08539	10.4
183.11790	23.2
185.13225	39.1
187.14821	95.0
188.15176	19.1
189.16400	25.5
195.10193	11.9
199.14867	29.7
201.16420	76.0
202.16795	9.7
203.07054	21.7
203.14366	27.8
205.06694	11.0
205.15903	46.8
206.16238	8.5
213.16345	10.9
217.15936	16.0
227.17819	12.1
258.18640	14.6
261.05557	10.3
262.69461	11.6
284.25284	9.7
293.09030	10.4
302.21948	10.3
307.09814	10.7
313.78070	8.8
321.11487	9.5
405.31506	18.0
407.33185	11.3
423.32465	9.9
433.30750	17.7
451.32080	37.3
452.32565	14.3
457.32141	82.0
469.33145	51.7
470.32953	10.2
505.34152	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	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.96550	2.2
57.03421	1.7
61.02928	1.1
65.03931	0.9
69.03445	3.4
70.20741	1.0
70.21078	1.2
73.02937	0.8
81.03413	1.6
84.08123	0.6
85.02902	13.4
91.05482	9.0
97.02905	4.2
98.97595	4.5
99.04430	0.7
105.07052	0.7
109.02875	1.3
115.05467	1.0
116.98611	1.6
119.04094	1.0
119.04945	19.6
121.02895	0.9
123.04426	1.3
127.03922	3.9
131.04988	0.8
137.02409	1.0
141.02266	1.3
143.04932	2.4
145.04961	4.3
147.04414	100.0
148.03722	0.6
148.04773	3.2
149.05978	2.0
151.03923	0.6
153.05444	0.6
157.06534	1.2
158.99651	1.2
159.03296	0.7
161.05969	3.4
163.06020	1.4
165.05487	47.0
166.05815	1.5
169.06477	1.0
171.04419	1.9
175.03833	0.8
175.07504	4.6
177.05504	6.0
179.07088	0.9
180.08641	1.1
184.05225	0.7
189.05531	1.8
191.06990	0.8
195.06482	1.2
203.07043	7.2
207.06575	3.1
212.48451	0.6
217.04971	1.0
219.01773	0.7
221.08104	1.7
227.07027	1.2
229.08611	1.2
231.06602	2.0
241.90321	0.6
245.08083	2.7
249.07613	12.3
263.09180	1.6
265.11212	2.1
266.09082	0.8
266.11462	3.5
267.08737	1.4
273.07507	3.4
284.12671	1.2
291.08655	2.0
307.12131	1.3
308.12540	3.9
309.09698	6.3
326.13586	1.1
428.16553	1.1
446.17935	4.5
506.19824	6.6
507.20184	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	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.2
55.01873	21.8
55.05516	2.2
57.03436	8.2
61.02930	16.1
68.99789	18.6
69.03429	44.9
69.07056	2.0
70.41007	1.9
71.04989	6.3
71.30974	2.2
73.02916	33.1
73.74805	1.4
79.05503	2.5
81.03420	47.2
81.07040	3.4
83.01334	3.2
83.04990	2.9
85.02908	71.6
86.09714	2.7
87.00835	43.7
91.03950	16.0
91.05479	2.0
93.07043	6.6
95.08570	4.1
97.02894	47.2
97.52097	1.6
99.04457	23.3
101.02381	24.5
101.14431	1.9
103.10097	1.9
105.01852	16.8
105.07037	18.6
107.08598	4.0
109.02881	100.0
109.06525	1.8
111.08122	1.8
115.03927	3.0
117.01866	14.9
119.03418	31.9
119.08600	2.6
121.10109	2.1
124.05226	2.6
127.03917	99.3
128.04373	2.0
129.01843	8.1
130.82329	2.0
131.08597	4.1
133.10225	2.1
135.11646	2.0
137.04387	2.2
137.05984	5.8
139.07529	1.8
141.01825	40.2
141.02852	2.9
145.04967	31.9
145.10135	4.7
147.02914	2.6
159.02893	74.5
163.06084	4.0
165.09177	8.4
177.03870	2.1
187.02374	40.7
187.14818	2.2
195.02957	2.8
201.03972	10.6
205.03444	80.2
206.03799	2.1
211.07451	1.8
213.03938	6.7
223.13286	10.3
227.05627	2.7
227.11729	2.3
231.05022	16.8
233.02959	5.3
247.04430	15.9
255.11285	3.8
259.04480	6.3
271.04459	2.2
277.05524	22.0
285.06012	5.4
295.04565	2.3
303.07083	4.2
313.05560	25.7
331.06583	49.5
332.07169	3.0
349.07672	35.5
393.27194	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02018	2.2
52.24984	2.3
55.05522	5.1
57.03424	2.8
57.07068	4.3
60.08173	16.0
61.02938	2.9
67.05513	22.7
69.07066	6.7
69.55592	13.4
69.55883	3.6
70.18787	2.8
71.07374	5.8
74.33833	2.2
79.05492	6.7
81.07065	26.3
83.08611	4.4
85.06495	2.9
86.09711	58.3
91.05478	6.4
93.07058	13.0
95.08607	22.0
96.08915	2.8
98.23365	2.6
98.98483	4.0
104.10746	91.3
105.07033	8.1
107.08598	10.5
109.10183	12.0
119.08587	7.6
119.52248	2.5
120.08138	3.5
121.10122	9.3
123.11693	6.9
124.03928	2.4
125.00024	29.7
133.10129	10.0
135.11707	10.2
137.13258	5.7
145.10095	2.8
147.11757	5.7
149.13263	3.3
151.14806	5.9
161.13240	8.3
173.13277	2.7
184.07353	100.0
189.16379	2.2
205.15916	3.9
217.19579	15.3
235.20551	16.9
291.22858	2.4
309.24371	11.7
310.39584	2.4
374.56714	2.7
488.31473	7.1
506.32376	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	506.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85556	3.7
55.05516	13.9
57.07077	12.5
60.40380	3.6
67.05502	18.8
68.05807	4.6
69.05057	9.6
69.05450	31.7
69.07069	17.8
71.04994	7.5
71.08627	7.2
74.56184	3.6
79.05500	15.4
81.03443	5.2
81.07051	53.0
83.08622	12.4
85.06549	14.8
85.10205	4.9
91.05484	9.3
93.07038	39.4
95.08046	6.7
95.08612	76.4
96.08950	4.5
97.10191	9.7
105.07020	25.6
107.08606	62.4
109.06508	3.6
109.10156	55.8
111.08075	6.9
119.08597	38.0
120.08893	4.5
121.10159	43.6
123.08054	7.0
123.11746	21.3
131.08554	11.1
133.10133	29.6
135.11697	39.3
137.09587	5.7
137.13248	7.2
145.10107	9.2
147.11711	24.6
149.13237	23.6
159.11668	9.0
161.13243	9.7
163.14839	28.6
169.27859	4.2
173.13277	15.1
175.14810	29.7
177.11279	4.4
177.16373	9.7
179.14330	6.0
189.16341	19.0
191.14330	16.5
191.17943	100.0
193.15900	45.0
203.17873	6.9
207.17509	16.8
217.19685	5.5
221.19032	5.5
225.18546	4.8
283.04367	4.1
289.35300	4.7
365.31973	4.9
383.33173	25.3
443.35040	14.7
449.30237	4.5
469.40485	4.3
506.32657	6.4
506.39468	8.1
507.34576	6.8
510.61148	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98774	2.1
53.03945	3.6
53.58075	1.6
55.05509	9.8
57.07076	5.8
67.05502	16.6
69.07073	23.0
71.04999	7.7
76.39927	1.9
79.05496	13.6
81.03459	1.7
81.07062	47.1
82.07411	1.9
83.08640	14.7
85.06552	16.4
88.16718	1.7
91.05474	13.0
93.07051	42.4
95.04983	2.3
95.08608	81.7
96.08929	2.8
97.06547	2.1
97.10181	8.7
105.07024	29.3
105.23241	1.8
107.08597	72.2
108.08894	3.2
109.10154	50.2
111.11774	2.7
113.09657	2.1
119.08586	55.0
119.09447	2.8
120.08912	1.7
121.10144	69.8
122.10486	3.3
123.08152	2.1
123.11703	33.2
131.08582	8.1
133.10124	36.4
134.10423	2.2
135.11694	54.7
135.12683	3.8
136.12035	2.8
137.13255	11.6
143.08553	2.1
145.10126	6.2
146.67325	1.9
147.11691	31.1
149.09552	2.1
149.13257	52.9
151.14790	2.5
153.12749	2.7
157.10190	3.5
159.11682	21.3
161.13287	18.2
162.50729	1.9
163.11203	2.4
163.14821	67.8
165.12758	1.8
171.11624	3.0
173.13222	10.6
175.14833	50.1
177.12744	5.4
177.16394	23.9
179.14348	7.4
187.14841	6.5
189.16394	15.0
191.14325	6.3
191.17955	75.9
192.18309	4.7
193.15895	83.6
194.16270	2.5
199.15016	2.9
201.16447	5.1
203.17958	34.7
204.18332	4.1
205.15881	2.4
205.19595	5.9
207.17439	5.0
217.15852	2.2
217.19484	5.3
219.17398	4.7
221.19003	36.3
221.54669	1.9
229.19429	3.1
241.15982	1.9
247.20480	2.2
259.20581	5.2
365.31943	8.3
383.33078	100.0
384.33411	9.1
393.31482	5.8
411.32574	33.8
429.33667	14.9
430.34494	2.1
443.35364	21.5
444.35715	2.5
471.34918	18.2
472.34897	3.2
506.38358	2.4
507.34149	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	506.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.4
57.07068	6.6
67.05509	21.5
67.07878	4.0
69.03421	4.8
69.07073	25.8
69.14709	35.5
69.97836	4.6
71.05001	4.6
72.85534	3.8
79.05499	14.7
81.07064	40.7
83.04967	4.1
83.08614	12.1
91.05493	13.2
93.07048	28.8
95.08609	54.8
97.06562	8.8
97.10186	8.1
99.08108	5.6
104.10726	5.2
105.07027	35.3
107.08608	52.3
108.08888	7.1
109.06525	13.0
109.10158	50.6
110.10500	4.3
111.08115	9.7
119.08585	53.9
120.08949	4.2
121.10139	44.2
123.08067	9.6
123.11698	38.4
131.08582	9.0
133.10135	45.1
135.08083	12.2
135.11700	41.0
137.09605	6.5
137.13252	12.2
145.10136	17.1
147.11711	30.7
148.15527	4.2
149.09592	5.2
149.13277	15.3
151.11223	8.5
151.14845	13.6
153.09105	5.5
155.22023	5.8
157.10161	7.5
159.11757	10.8
161.09534	7.2
161.13301	13.1
163.11240	7.1
163.14853	15.1
165.09212	5.8
165.12772	6.0
169.10091	4.5
169.32170	4.6
171.11725	7.6
173.13274	8.7
175.14827	19.2
177.12917	5.8
177.16388	7.3
179.14342	5.8
181.12238	5.9
184.07292	8.6
185.13283	8.4
187.14874	17.1
189.16399	61.1
190.16760	8.7
191.14339	6.1
191.17877	6.4
193.15884	4.7
197.13179	6.4
199.14906	4.8
201.16376	9.7
203.17987	11.7
205.15852	6.3
207.17448	100.0
207.19342	8.1
208.17696	8.4
213.16489	7.2
215.17950	7.3
217.16145	5.4
221.15326	7.8
247.16780	5.2
249.18465	8.5
287.23560	4.6
328.31116	5.6
365.28284	5.7
407.33093	12.2
411.28934	7.6
425.34381	39.1
435.33151	7.0
442.36835	31.6
443.35483	51.4
453.33633	17.3
471.35315	33.5
506.30585	7.4
506.38995	8.6
507.31024	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06828	0.7
67.05486	1.1
69.03413	1.3
70.06579	0.9
71.04976	2.2
73.33598	0.8
79.05455	1.4
81.07038	2.0
91.05467	1.5
93.07011	2.5
95.04910	1.0
95.08584	2.4
100.12372	0.8
105.07002	2.6
107.04942	0.9
107.08540	2.3
109.10146	1.1
120.08142	1.2
133.10118	1.4
137.05910	3.3
145.09993	1.5
149.05844	0.9
159.11719	0.9
167.07034	1.1
181.04929	0.9
241.12073	1.3
243.13403	1.9
259.13074	8.8
269.11438	1.0
287.03568	1.3
289.05325	6.5
290.71710	1.0
395.37292	0.8
403.16986	1.3
421.13120	1.1
421.18283	14.3
457.31784	0.9
458.32294	1.2
459.32196	1.1
463.19281	59.9
464.19800	4.3
489.16913	1.0
507.18045	100.0
508.18225	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	507.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75745	0.5
67.05515	1.3
69.03447	1.0
69.70078	0.6
71.05000	6.5
79.05498	1.9
81.07053	0.9
83.04989	0.6
85.02914	0.6
85.06516	0.9
91.05502	2.3
93.07077	1.0
95.04990	0.8
95.08606	1.4
97.52821	0.6
105.07046	2.1
107.08604	0.8
109.10155	1.4
120.82851	0.7
137.05972	6.2
145.10149	0.7
151.07552	2.9
151.76137	0.5
156.43939	0.6
175.07500	0.8
186.95770	0.5
199.07587	1.5
203.05273	1.3
215.46806	0.6
232.08594	0.7
234.48029	0.6
241.11992	5.2
243.04756	2.1
243.13567	6.0
245.06197	2.7
253.35329	0.7
255.11450	1.3
258.05090	0.7
259.10229	1.2
259.13010	11.2
286.04691	1.1
287.03461	4.6
289.05228	5.5
323.12851	0.9
335.12802	1.4
343.78668	0.6
383.23834	0.6
403.17007	0.7
421.18304	12.1
422.18628	0.9
463.19397	69.3
464.19659	4.4
507.18384	100.0
508.18726	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	507.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26670	0.7
63.76518	0.7
67.05461	1.7
69.07047	1.0
70.07926	2.8
70.66089	0.8
71.04987	4.4
79.05475	1.3
81.07027	1.5
91.05477	3.5
93.07026	1.4
95.08587	1.8
103.05374	0.7
105.03363	1.0
105.06976	3.0
106.93575	0.7
107.04901	0.9
107.08544	1.7
109.06448	0.9
109.10104	0.9
117.06966	1.1
119.04895	1.1
119.08517	1.4
121.10088	0.9
131.04913	1.0
131.08476	1.0
133.10037	1.5
135.11613	0.8
137.05971	8.2
145.10046	1.2
149.05888	1.1
151.07434	3.2
159.11597	1.4
164.74951	0.7
165.09076	0.7
167.06956	1.6
169.04683	1.3
181.04900	1.2
199.07530	1.0
203.05208	1.1
233.08102	0.8
241.11917	2.3
243.04663	1.8
243.13573	5.2
245.06230	4.1
258.05078	2.1
259.10727	0.8
259.13010	7.9
259.15530	1.1
259.16470	0.7
286.04437	2.9
287.03339	8.3
287.12265	1.5
289.05298	13.3
325.10709	1.2
403.16971	1.0
419.00714	0.7
421.18219	17.3
459.32208	1.2
460.15027	0.8
463.19254	64.3
464.19455	5.1
489.20743	1.2
507.17780	100.0
508.18079	7.1
508.29761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20923	0.4
61.72737	0.5
70.33968	1.0
76.77107	0.5
81.07043	0.7
83.74414	0.4
91.05468	1.2
97.02652	0.5
102.89687	0.5
105.07079	0.5
119.04954	0.5
127.00014	2.8
127.03703	0.5
137.05736	2.3
138.43748	0.5
141.05208	1.0
144.51797	0.4
167.03152	0.6
169.01076	1.8
169.04712	8.7
203.05241	0.7
211.05682	0.8
213.03722	0.5
227.05270	1.6
241.12015	1.9
243.04762	2.4
243.13594	1.5
245.06297	2.5
255.04584	0.5
259.13086	7.1
271.04376	0.5
272.04858	0.6
287.03760	7.7
289.05283	6.8
421.18326	8.6
430.37549	0.5
445.18585	0.9
463.19388	58.0
464.19812	4.0
506.31778	0.5
507.18378	100.0
508.18658	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	507.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40456	0.3
55.05461	0.6
63.17843	0.3
67.05453	0.5
69.03397	0.8
71.31512	0.4
72.08089	1.4
79.01575	0.4
79.05431	0.5
81.06988	0.6
82.00262	0.5
83.01045	0.6
86.09634	1.5
86.10109	0.4
89.86916	0.3
91.05444	0.8
93.07009	0.4
95.01063	0.5
95.08543	0.6
97.02592	0.7
103.05419	0.5
105.07008	0.7
117.06906	0.4
120.08055	0.8
125.02064	0.5
127.00030	2.1
131.04933	0.4
131.08469	0.4
137.05862	1.1
139.03679	0.3
141.05141	1.4
143.04622	0.6
149.06070	0.3
151.03716	0.4
169.00952	1.3
169.04741	8.4
171.99699	0.5
172.67630	0.4
175.75510	0.4
177.05353	0.4
181.04843	0.4
183.02621	0.3
185.04176	0.6
201.03639	0.4
203.05165	1.0
211.05655	0.5
225.35146	0.4
227.05167	1.2
241.11974	1.8
243.04790	3.1
243.13547	1.7
245.06302	3.7
253.10741	0.4
255.04703	0.5
259.13046	7.2
260.13251	0.8
271.04144	0.8
281.10019	0.6
287.03732	6.0
288.03879	0.4
289.05316	8.5
301.14264	0.4
379.24341	0.4
403.17615	0.5
421.18332	9.7
422.18994	0.6
445.18210	1.1
463.19400	66.9
464.19754	4.6
507.18405	100.0
508.18808	7.7
508.26062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03367	0.7
69.03432	0.8
71.05004	0.7
76.37517	0.6
91.05502	0.9
125.02131	1.1
126.19030	0.7
127.00043	2.3
137.05815	2.7
141.05199	1.7
145.10165	1.2
169.01091	1.2
169.04713	11.0
203.05275	1.2
229.42378	0.8
241.12007	2.9
243.04707	1.3
243.13554	1.3
245.06345	2.3
259.13055	4.3
261.52359	0.7
263.12714	0.7
287.03662	4.5
289.05328	7.9
365.43109	0.7
397.67810	0.7
416.82159	0.7
421.18262	8.2
422.18701	0.8
463.19339	56.0
464.19485	5.0
489.21155	4.6
507.18265	100.0
508.18683	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	507.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01870	30.1
55.05507	6.7
57.03432	1.9
57.07059	1.1
61.02925	15.8
65.03942	0.7
67.05502	12.9
69.03428	2.8
69.07064	14.3
71.04988	6.0
71.30595	0.9
72.08140	0.7
73.02914	22.6
79.05486	9.8
81.03426	1.6
81.07055	36.1
83.01327	3.1
83.04980	20.8
83.08624	4.1
85.02914	1.9
85.06545	4.9
85.36471	0.7
91.03970	1.0
91.05464	10.7
93.07041	31.6
94.07360	1.1
95.04964	15.9
95.08596	15.9
97.02882	1.0
97.06524	13.7
99.04467	5.2
101.02376	30.6
101.05996	1.7
105.07022	26.6
106.07333	1.1
107.04930	1.0
107.08591	19.7
109.06513	9.1
109.10150	5.6
111.08076	42.7
112.08382	1.4
113.06007	2.0
115.03932	4.9
115.07568	2.0
117.06993	2.0
119.03411	3.5
119.04927	1.1
119.08588	13.2
120.08092	1.3
121.06504	9.9
121.10126	4.6
123.04447	1.5
123.08075	5.3
123.11707	17.1
125.06002	4.4
127.03901	1.4
127.07523	2.6
129.07008	1.2
131.08559	2.5
133.04948	6.2
133.06506	2.0
133.10126	15.3
135.08058	8.3
136.07564	1.9
137.05981	2.5
137.09610	1.2
137.13284	1.4
139.07516	4.9
140.98018	0.8
141.05496	0.9
142.07777	1.9
143.03418	1.3
143.07040	1.8
143.08582	0.8
145.10103	2.6
147.02861	2.8
147.08078	1.9
147.11678	28.7
149.13246	2.6
151.07494	1.2
151.11171	11.9
153.01883	0.7
157.10123	6.2
159.06493	0.8
161.04446	100.0
161.13213	1.8
162.04771	1.2
163.11166	1.7
163.14845	0.8
164.07068	1.7
165.12753	16.4
166.13182	0.8
167.07056	0.8
169.12236	47.0
170.12617	1.2
171.07846	0.8
171.11665	3.4
173.09619	0.9
175.11176	17.7
189.12675	5.3
193.12238	27.7
199.11229	4.2
201.07518	1.2
207.13779	2.5
211.13284	29.3
212.13646	1.1
217.12233	14.2
225.14844	1.4
229.14297	1.1
235.13280	10.6
243.08644	4.1
243.15839	1.4
247.07642	0.7
253.14258	3.7
255.41971	0.7
257.10233	1.4
259.08215	1.6
283.15396	1.6
293.13828	3.0
307.15341	1.9
311.11441	1.1
311.14871	15.9
329.15933	27.7
330.16174	1.7
335.14810	3.5
345.47101	0.8
353.15833	7.2
507.18213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70620	1.0
55.05498	1.1
57.37706	1.0
67.05513	3.0
69.03449	1.0
69.07061	2.1
69.88579	3.4
78.77430	1.0
81.07070	3.9
91.05474	2.4
93.07046	3.2
95.08611	2.4
97.06528	1.1
101.06015	0.9
105.07052	5.6
106.19952	1.2
107.08598	3.5
109.06545	1.4
109.10165	2.5
109.66275	1.0
119.08604	2.5
121.06496	1.1
121.10163	2.5
123.11725	2.1
129.07069	1.1
131.08542	1.5
133.10138	3.3
135.08051	1.4
135.11700	1.3
137.05981	2.3
145.10103	2.7
149.09656	1.3
157.10025	1.6
159.11768	1.4
177.12589	1.2
185.04294	1.6
203.05360	1.2
208.06097	2.3
218.04515	2.0
226.05264	1.0
241.15678	1.5
245.06425	4.3
259.16687	3.0
289.05371	5.5
289.93939	1.2
307.09933	1.2
401.12973	1.5
403.21118	1.7
421.22043	12.4
422.22064	1.4
439.98343	1.0
463.23041	44.4
464.23538	2.4
507.22058	100.0
507.27762	3.6
508.22339	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	507.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47776	0.4
55.05512	4.0
57.03445	4.5
57.07079	19.0
59.04996	0.4
65.77712	0.4
67.05509	8.0
69.07071	4.0
71.04945	0.5
71.08630	12.1
75.04475	0.4
76.18096	0.5
79.05488	1.6
81.07059	7.7
83.08613	3.4
84.38146	0.4
85.10184	6.2
87.74804	0.4
89.06021	1.7
91.05488	1.4
93.07045	2.2
95.08044	0.7
95.08607	9.3
97.10197	2.5
99.08049	0.5
99.11705	0.5
103.07597	0.7
103.65549	0.4
105.07013	1.7
107.08555	2.3
109.10148	5.2
111.11696	0.6
115.03677	1.3
119.08565	1.6
120.96664	0.5
121.10165	2.4
123.11694	3.1
123.48705	0.4
125.09672	0.6
131.08609	0.7
133.10132	1.5
134.10378	0.4
135.11679	1.7
137.13223	0.8
145.10095	1.1
147.11703	1.0
149.13297	0.7
157.10205	0.5
159.11652	0.8
161.13229	0.6
172.77182	0.4
173.13271	0.7
175.14790	0.5
176.99225	4.9
189.16544	0.5
191.17755	0.7
195.00304	100.0
196.00691	0.8
229.14389	0.6
249.18306	0.5
257.24777	1.2
261.22083	0.6
269.03961	1.2
313.27359	28.5
314.27716	1.2
353.26822	0.5
412.32373	0.5
415.22025	0.9
440.24435	0.4
489.26120	0.7
489.35757	0.8
507.27057	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	507.2726
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.05530	11.6
57.03439	6.5
60.08163	9.4
65.03902	4.6
67.05509	46.0
67.17006	4.5
69.03440	5.1
69.07079	25.1
71.08617	6.2
71.30197	8.1
79.05511	25.9
81.07055	53.7
83.08622	10.7
86.09715	27.5
91.05495	23.8
93.07032	39.0
95.08604	51.4
96.08954	5.1
97.06514	4.8
98.98496	42.7
104.10751	51.9
105.07050	18.2
107.08597	40.8
109.06531	8.4
109.10169	37.5
111.08099	5.5
117.07031	6.4
119.08594	29.1
121.06548	9.1
121.10132	36.2
123.08073	9.9
123.11712	14.5
123.46230	4.9
125.00035	10.9
129.65836	5.4
131.08594	15.0
133.10133	27.6
135.11696	26.3
137.09674	4.5
137.13290	5.8
143.08627	6.7
144.31586	4.7
145.10150	21.2
147.11668	15.7
148.12056	5.0
149.13319	11.6
154.25212	4.5
155.01025	17.6
157.10124	5.4
159.11707	17.2
161.09543	6.7
161.13309	7.1
163.11166	6.7
163.14815	8.5
165.12808	5.6
171.11658	6.0
173.02014	5.9
173.13263	13.9
175.11139	4.8
175.14780	8.0
177.12746	7.5
184.07362	42.1
185.13341	5.9
187.14798	9.2
189.16338	9.6
192.13144	4.9
201.16377	5.1
203.18109	4.9
206.16327	6.4
243.21124	5.8
261.22296	11.6
317.24692	7.4
335.25830	76.2
336.25949	7.6
369.53818	5.1
406.53870	5.9
412.29004	7.0
507.19489	5.6
507.30896	100.0
508.32318	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	507.3685
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.01835	2.1
55.05516	15.1
57.07064	4.9
67.05500	22.1
67.75938	2.2
69.03434	3.7
69.07074	32.6
71.31137	4.1
72.80242	2.2
79.05499	11.3
81.07060	38.1
83.04981	3.8
83.08629	14.4
85.06561	4.9
91.05480	10.0
93.07040	24.9
95.04967	3.9
95.08608	53.1
96.08926	3.1
97.06535	3.6
97.10164	9.2
98.91880	2.2
99.04398	3.3
105.07056	16.5
107.08591	44.6
108.08918	3.0
109.06528	8.5
109.10155	42.9
110.10473	2.4
111.08103	4.4
111.11707	8.3
117.06950	4.1
119.08594	23.7
120.08942	1.9
121.06498	2.8
121.10146	49.1
122.10493	5.2
123.08076	15.4
123.11717	31.9
125.09622	6.0
131.08553	8.4
133.06549	2.4
133.10129	24.9
135.08034	7.2
135.11700	26.8
137.09630	6.3
137.13249	13.9
139.07472	3.3
139.11145	2.5
143.08553	4.7
145.10159	16.9
147.11679	16.2
149.09590	6.5
149.13263	13.4
151.14790	7.1
153.09119	4.9
157.10144	7.1
159.11691	16.3
161.09613	5.1
161.13242	12.3
163.11195	5.7
163.14790	6.0
164.15134	2.2
165.12799	3.6
167.10733	4.9
169.10081	2.0
171.11658	5.6
173.13269	11.0
175.14851	8.3
177.12778	3.2
177.16365	15.8
181.12238	12.1
185.13255	6.1
187.14848	15.6
189.16428	10.5
190.16722	3.2
191.10835	2.1
191.14288	8.6
191.17969	6.4
193.16040	2.3
195.00294	7.2
195.11613	2.4
196.00557	2.9
197.00826	3.3
197.13203	2.5
199.14813	5.3
201.16364	11.8
203.14291	2.8
203.17975	4.9
205.15872	6.2
207.17477	5.3
209.15338	3.6
213.16310	2.6
215.17877	5.5
217.15866	4.0
219.17516	11.8
223.16879	2.5
227.17801	2.4
231.21121	2.5
233.19032	6.4
235.16928	4.2
237.18535	9.8
243.17288	3.6
245.19078	2.6
247.20590	4.6
255.15970	3.0
256.16284	4.1
257.22681	2.8
259.20474	2.8
261.18643	2.3
261.22089	6.5
275.23749	4.6
287.23694	5.9
365.16083	2.5
385.31290	14.6
397.34958	3.2
407.33078	16.2
425.34155	73.7
426.34393	7.6
443.35205	100.0
444.35641	12.0
453.33548	8.3
461.36298	11.3
471.34485	12.7
472.34839	2.8
489.36075	3.4
507.18576	9.5
507.31009	31.4
508.31424	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	507.3686
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
55.01888	2.2
55.05510	9.8
56.34697	1.8
57.07078	5.3
67.05515	12.4
69.03419	4.8
69.07072	19.5
69.37649	9.1
69.38030	3.6
73.14478	1.8
79.05501	6.3
81.07068	31.4
83.04942	2.7
83.08623	10.6
86.09669	2.3
91.05476	6.0
93.07047	17.0
95.04953	2.0
95.08609	44.3
97.06532	2.7
97.10159	5.5
104.10767	4.7
105.07034	14.9
107.08606	29.2
109.06523	7.5
109.10159	34.7
110.10485	2.7
111.08087	3.4
111.11723	8.9
117.07001	2.4
119.08592	16.0
121.06470	3.6
121.09297	2.8
121.10152	44.0
123.08083	14.0
123.11713	30.9
125.09683	2.0
128.87643	1.6
131.08592	5.5
133.10138	16.4
135.08081	5.2
135.11705	14.1
137.09644	5.5
137.13242	13.3
139.07552	1.8
145.10110	13.1
147.08060	2.5
147.11679	11.3
149.09622	3.9
149.13280	15.4
151.11224	5.2
151.14838	8.2
153.09108	2.6
157.10170	3.9
159.11674	12.1
161.09607	4.0
161.13313	9.0
163.11195	6.5
163.14874	5.7
165.09048	2.3
165.12772	4.3
167.10709	4.2
169.12442	2.0
171.11702	3.2
173.13274	8.1
174.13580	1.7
175.14879	5.2
175.29883	1.8
177.12761	3.7
177.16382	12.1
181.12251	9.1
184.07327	5.6
185.13319	3.6
187.14824	9.9
188.15314	2.2
189.16391	7.7
191.14381	5.0
191.18010	5.0
191.43710	2.0
201.16432	8.7
203.14359	3.4
203.18030	3.8
205.15869	3.7
207.17436	5.7
209.15283	3.3
213.16325	2.5
215.17982	2.2
217.16040	1.9
219.17415	14.8
220.17636	2.1
221.15289	2.4
223.16890	2.4
233.19006	4.6
235.17139	1.9
237.18491	10.1
241.19482	2.1
243.21236	2.9
247.20602	3.9
255.21211	1.9
261.22101	2.1
263.20181	2.9
275.23587	3.1
278.63690	2.3
287.20273	2.9
287.23669	6.6
298.02374	2.1
383.29166	3.2
407.33072	14.9
412.29095	2.1
425.34158	71.6
426.34454	8.3
435.32782	2.2
443.35242	100.0
444.35538	9.7
447.28284	2.0
453.33588	5.4
461.36307	7.4
471.34970	13.4
489.35989	3.4
507.19333	3.6
507.30341	28.1
507.42444	6.3
508.32791	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	508.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.4
64.53172	0.5
65.59608	0.5
69.52785	0.5
70.06587	0.5
71.30418	0.9
75.88122	0.5
79.05491	0.7
84.08140	1.5
84.49413	0.5
84.79327	0.5
84.96030	0.5
85.02917	1.1
86.09740	0.7
91.05473	1.0
93.07036	1.3
95.04970	0.6
97.02892	1.2
98.97598	3.2
102.73280	0.5
103.05476	8.0
107.04964	1.4
116.98598	1.5
120.08106	100.0
121.08445	3.1
128.98643	1.0
131.04918	1.8
137.02367	0.7
147.04445	0.6
149.05981	1.6
158.99698	0.6
166.08640	46.7
167.09015	1.4
193.04984	0.6
199.05354	0.5
212.43224	0.6
219.01733	0.9
222.04472	0.6
225.14992	0.6
231.05347	0.8
232.96468	0.5
237.02698	1.2
249.05859	0.6
268.02853	0.6
304.19315	0.6
449.13260	0.8
501.62384	0.7
508.16446	0.5
509.16208	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.3
55.01875	9.1
55.05519	11.4
57.03441	11.2
57.93736	3.7
61.02920	6.0
67.05508	15.5
68.99786	5.3
69.01869	8.0
69.02270	32.1
69.03439	33.6
69.07077	14.2
71.04991	9.2
73.02931	9.2
79.05501	22.8
80.71165	3.7
81.03429	36.4
81.07059	27.4
83.04984	11.2
83.08570	4.2
85.02911	68.2
86.09733	4.7
87.00829	29.9
87.04501	5.6
91.05467	21.2
93.07041	41.8
94.54887	3.6
95.04958	28.5
95.08607	19.1
96.03704	3.8
97.02901	28.3
97.06554	13.2
99.04459	12.7
105.01865	24.8
105.07024	37.5
107.04961	14.2
107.08601	58.6
107.27806	4.0
109.02882	21.8
109.06523	13.9
109.10154	29.6
117.07019	9.4
119.08585	51.7
120.08050	5.2
121.06522	16.6
121.10135	56.4
122.06093	6.6
123.08098	18.0
123.11709	11.1
125.06046	4.4
127.03922	46.4
129.07101	5.0
130.07767	4.6
131.04964	3.9
131.08546	23.1
133.10114	29.1
135.08041	14.4
135.11705	20.0
136.07550	5.1
137.05981	9.6
137.09624	19.4
139.07587	10.2
144.09343	6.1
145.04965	23.1
145.10152	14.9
147.07997	4.8
147.11713	16.4
147.99763	4.1
149.09651	25.9
149.13274	27.9
150.05495	5.8
151.07552	10.7
156.09386	5.2
159.02934	13.3
159.11687	51.3
161.13257	21.4
163.11188	61.9
165.12708	4.0
171.11659	9.2
177.12749	100.0
181.12303	8.6
189.12724	37.5
195.13808	91.4
207.13800	69.9
208.14226	4.8
223.13379	4.6
225.14955	24.6
231.05051	12.5
247.50514	4.5
249.05719	4.4
331.86551	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	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
55.01867	13.3
55.05509	13.9
57.07071	6.9
61.02919	9.8
67.05511	26.7
69.03429	40.4
69.07073	14.7
69.22178	5.3
70.67967	16.6
71.05007	11.1
72.08163	10.5
73.02917	6.0
79.05481	39.9
81.03433	40.9
81.07061	28.9
83.04993	14.3
84.04454	5.4
85.02901	76.4
87.00829	20.9
91.05474	40.9
93.07041	48.9
95.04966	28.3
95.08620	22.4
97.02900	33.2
97.06541	14.6
99.04456	24.4
103.05448	5.3
105.01881	25.1
105.07012	42.4
107.04954	27.8
107.08588	57.1
109.02864	27.4
109.06504	31.8
109.10133	38.8
111.08087	9.2
113.06007	5.4
117.01826	5.6
117.07062	9.0
119.04952	6.1
119.08582	52.9
120.08098	10.9
121.06506	40.6
121.10152	55.0
122.05965	6.4
123.08075	22.2
123.11698	16.5
125.09565	8.0
127.03913	54.4
131.08554	20.8
133.10132	33.7
135.08040	16.7
135.11662	18.7
137.06012	15.9
137.09631	20.2
139.07558	5.6
143.08574	7.0
145.04971	21.0
145.10146	17.7
147.07791	5.3
147.11696	18.4
149.09616	100.0
149.13278	27.7
151.07545	10.9
151.11172	13.1
156.09274	9.2
159.02840	14.8
159.11682	54.5
161.13251	29.7
163.11188	50.4
165.12776	9.7
167.10654	6.2
171.11665	8.8
171.80634	6.1
177.12746	88.7
178.13029	5.4
179.10600	5.6
181.12204	14.8
189.12769	35.2
191.10721	10.7
195.13800	79.4
204.10356	4.8
207.13789	62.7
225.14862	51.1
225.29974	5.1
231.05104	9.5
263.06979	6.4
299.09033	6.1
311.15085	7.5
402.56760	5.4
472.94986	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	508.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61558	0.5
53.03940	2.0
55.01857	2.1
55.05505	5.1
56.06128	0.6
57.03424	1.4
57.07066	1.8
61.02917	1.9
62.87283	0.5
67.05504	4.4
69.03435	7.9
69.07076	3.5
69.72417	2.3
71.04966	1.2
71.08624	0.6
71.47292	0.5
73.02898	2.2
79.05495	0.8
81.03421	7.6
81.07056	9.7
83.04969	0.7
83.08620	6.9
85.02905	21.7
87.00831	10.4
91.05450	1.0
93.07017	1.0
95.08604	24.0
97.02903	6.7
97.10161	2.5
99.04446	3.3
105.01866	9.6
105.03328	0.6
105.07045	1.9
105.46886	0.6
107.08590	2.5
109.02879	7.5
109.10159	23.6
110.10439	0.7
111.04470	0.6
115.83483	0.6
117.01850	0.6
119.08583	6.9
121.06480	0.8
121.10118	2.2
123.08082	1.2
123.10800	1.0
123.11707	15.9
124.12006	0.6
127.03059	1.1
127.03921	13.0
129.01784	1.4
133.10138	3.7
135.11690	3.6
137.09622	0.6
137.13261	8.5
145.04947	4.9
147.11702	1.4
149.13297	1.4
151.11212	0.7
151.41647	0.5
155.10634	1.1
159.02893	3.9
165.09074	0.6
179.17953	23.4
180.18236	0.8
189.16386	14.7
207.17451	27.6
208.17722	1.1
210.14926	0.8
213.03963	1.2
225.18495	100.0
226.18832	4.9
231.04996	4.2
243.19562	5.3
249.06073	1.8
257.04404	1.9
274.22995	0.7
286.04639	0.7
289.05231	2.1
310.53143	0.5
346.19910	8.2
356.52914	0.6
455.22827	0.7
464.23611	0.9
465.11975	0.9
490.21118	1.3
508.22009	4.0
509.10934	2.9
509.23688	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	508.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01872	2.4
55.05505	3.3
55.67523	0.5
57.03427	1.3
57.07077	1.3
60.50546	0.5
61.02922	1.4
67.05504	5.3
68.99792	1.0
69.03430	8.1
69.07066	3.6
71.04987	1.3
71.30526	0.7
72.08124	0.5
73.02898	1.5
79.05487	1.8
79.80247	0.5
81.03425	5.6
81.07061	10.9
81.07822	0.4
83.04987	0.8
83.08628	4.4
84.08172	0.6
85.02908	20.2
86.60228	0.6
87.00835	8.5
91.05474	1.0
93.07061	2.3
95.04961	0.5
95.08609	25.2
96.08942	0.5
97.02891	6.3
97.06580	0.7
97.10154	1.4
99.04471	3.0
99.08113	0.7
100.07623	0.5
100.11282	2.5
105.01865	6.6
105.07035	1.5
107.08625	3.6
109.02881	6.9
109.06540	0.5
109.10162	28.0
110.10435	0.5
117.01811	0.6
119.08588	6.5
121.10148	9.3
123.08098	0.5
123.11713	16.3
125.09605	0.6
127.03926	11.9
129.01811	0.8
133.06505	0.6
133.10129	3.7
135.11732	3.8
137.09622	1.2
137.13255	6.2
144.56859	0.5
145.04962	4.9
145.10144	1.1
147.02904	0.6
147.11685	2.0
149.09744	0.5
149.13245	1.9
151.03929	0.6
151.07541	0.5
151.11180	0.6
153.01770	0.8
159.02899	2.6
163.14793	0.6
165.09128	0.6
165.16414	0.7
167.07045	0.5
169.12280	0.7
169.35004	0.5
179.17949	26.4
180.18291	1.1
182.15434	0.9
184.16972	0.9
189.16400	15.9
199.11148	0.5
203.03477	1.3
207.17465	19.5
210.14928	0.6
213.03935	0.6
225.18504	100.0
226.18846	5.1
229.05080	1.1
231.04927	2.9
241.58022	0.6
242.05730	1.4
243.19576	5.2
249.06209	0.9
257.04468	8.8
258.05188	1.8
270.05167	0.7
271.06021	0.8
285.04041	0.9
286.04758	2.7
287.05557	1.7
289.05206	2.1
297.04004	3.1
311.23346	0.9
337.57285	0.5
405.05942	0.5
455.22855	0.6
465.11963	2.7
465.24579	0.6
491.09833	0.6
491.22510	3.6
508.22284	2.9
508.40381	0.9
509.10803	16.9
509.22934	4.4
509.40787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	7.8
55.05510	24.6
57.03437	6.8
58.31501	7.2
67.05509	54.9
67.24437	6.1
69.03426	17.7
69.07066	32.1
79.05489	36.6
81.03412	11.6
81.07059	58.5
83.04978	11.3
83.08631	21.8
85.02921	20.7
91.05479	41.3
93.07042	47.3
95.04945	9.9
95.08611	28.8
97.06571	9.5
97.10163	9.1
100.11246	6.8
105.07016	39.6
107.04969	9.1
107.08594	38.3
109.10199	7.4
117.07032	15.6
119.08607	22.2
121.10152	19.7
131.08586	19.2
133.10162	33.1
135.11746	14.1
145.10098	13.0
145.44870	6.0
147.11725	12.1
149.09619	12.3
149.13280	31.5
159.11708	24.8
161.13193	8.6
177.12769	13.0
182.05359	5.7
195.13777	79.3
207.11815	7.7
213.14815	60.0
235.16998	8.1
249.14822	6.5
257.19083	9.5
275.20053	100.0
276.20435	7.3
289.05264	17.6
293.21106	17.5
313.23730	7.3
422.18549	9.5
464.19568	57.4
465.20731	13.0
508.18768	69.7
509.18829	20.1
509.23615	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	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
56.05030	1.5
57.03431	1.0
57.07084	0.9
58.06607	1.8
58.89415	0.6
60.08166	16.2
67.05508	1.4
69.07076	2.0
69.63009	1.5
69.63412	2.4
71.07389	6.6
79.05486	0.9
81.07058	2.3
83.08619	1.6
86.09708	52.2
93.07052	1.3
95.08617	2.7
97.13894	0.7
98.23326	1.0
98.98458	5.3
104.10748	100.0
105.07021	1.0
105.11095	1.2
109.10164	0.9
117.51927	0.7
121.10198	1.0
125.00017	26.5
133.06557	0.7
135.08063	1.0
135.11684	1.1
135.36713	0.7
139.11182	0.8
145.84523	0.7
178.08708	1.0
184.07349	94.6
184.32686	0.6
185.07776	1.1
213.95633	1.9
258.11029	1.3
311.16901	1.0
325.27271	1.8
360.31119	0.7
490.32919	6.2
508.33975	23.4
509.33423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92538	1.2
55.05503	4.3
57.03453	1.2
57.07069	2.0
60.08157	1.8
67.05511	9.6
69.07075	9.7
71.04976	1.3
79.05492	7.3
81.07069	17.9
83.08619	4.8
85.06548	2.4
86.09707	7.3
91.05475	5.7
93.07047	16.5
95.04969	2.1
95.08611	31.2
97.06546	1.9
97.10176	3.5
98.98464	3.6
99.04482	2.2
104.10754	13.0
105.07031	12.7
107.08608	25.4
109.06540	2.8
109.10162	17.8
111.08085	1.4
117.07053	2.0
119.08585	18.2
121.06497	1.3
121.10153	26.5
122.10505	1.6
123.08084	2.0
123.11716	9.2
124.99995	4.0
127.07573	2.1
131.08559	4.0
133.10139	11.8
135.08095	1.9
135.11708	21.8
137.09650	5.7
137.13269	3.3
145.10124	8.8
147.08054	2.3
147.11705	10.4
149.09567	1.6
149.13249	8.6
151.11238	1.5
155.10722	3.4
157.10159	2.5
159.11667	8.6
161.09671	2.0
161.13290	7.5
162.13593	1.1
163.11200	3.0
163.14815	4.2
165.12700	1.0
171.11726	3.4
173.13295	7.0
175.11209	2.0
175.14877	5.4
177.12778	2.8
177.16362	3.3
180.68474	1.1
183.11551	1.0
184.07355	12.9
185.13268	3.5
187.14760	6.2
189.12698	1.1
189.16417	8.7
191.10718	1.3
191.14293	1.7
191.17952	28.7
195.13768	1.5
199.14815	1.4
201.16374	4.6
203.18024	3.3
205.12273	2.0
209.13396	1.4
211.14871	1.4
213.16504	2.3
215.17944	3.4
217.19597	2.0
221.36569	1.1
229.19447	5.7
231.21077	7.2
235.16972	1.5
249.18568	1.6
250.09485	1.1
257.22638	7.0
271.24225	3.9
337.27420	3.4
349.28796	2.1
367.29907	3.7
385.31030	100.0
386.31366	10.4
395.29398	4.3
413.30484	3.5
431.30630	1.7
445.33298	1.8
449.30481	3.0
455.31390	3.4
473.32806	6.7
491.32907	3.2
508.31152	10.1
509.32596	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	508.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97792	1.9
55.05508	6.5
57.03431	2.8
57.07085	9.3
57.79945	1.7
58.07411	1.9
63.64944	1.6
67.05510	12.8
69.07072	13.0
69.19424	3.5
69.19832	8.8
71.05015	2.8
71.08646	2.5
71.52265	1.6
78.80365	1.6
79.05494	8.7
81.07061	23.2
83.08633	5.6
85.02943	1.7
91.05470	9.1
93.07053	18.5
95.04990	3.4
95.08612	51.5
97.06541	4.1
97.10179	3.8
98.23440	2.9
99.04485	5.1
99.21887	1.6
105.07031	17.2
107.08599	29.6
109.06547	2.3
109.10163	29.9
110.10538	2.0
111.11749	2.0
117.07053	2.2
119.08586	22.1
121.10152	29.3
123.11718	12.4
127.07553	2.2
131.08588	4.2
133.10123	17.6
135.08084	3.3
135.11705	21.6
136.12100	2.1
137.09628	19.9
137.13298	6.9
145.10118	13.9
147.11717	15.1
149.09662	2.0
149.13287	11.9
151.11203	3.9
152.44598	1.6
152.90413	2.1
155.08519	1.9
155.10695	4.9
156.11119	1.7
157.10188	4.4
159.11729	11.9
161.13266	9.5
163.11244	4.1
163.14839	3.5
165.09171	2.8
167.10696	2.2
171.11722	3.0
173.13281	7.4
175.14839	10.0
177.12708	2.6
177.16440	4.1
181.12291	2.1
183.10184	19.1
183.11635	1.9
185.13260	3.9
187.14882	7.1
189.16426	12.0
190.16754	2.1
191.10783	1.6
191.17982	19.7
195.00301	40.0
195.13844	1.8
196.00674	5.9
199.14929	2.3
201.11218	2.4
201.16473	3.2
203.17987	3.5
205.12262	2.2
207.17450	1.8
217.19597	6.8
231.13844	2.0
231.21098	21.0
237.14496	2.0
245.15459	1.8
257.22592	1.9
295.19324	3.1
314.27713	12.7
338.91965	1.7
385.30688	3.1
393.85559	1.8
395.29153	1.9
408.60986	2.2
413.30530	15.4
431.31580	100.0
432.31799	9.2
449.30576	6.7
491.31415	3.4
508.25665	4.6
508.32257	12.4
509.32544	62.4
529.44690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.1
57.07080	5.8
59.33123	2.0
61.28737	2.1
67.05499	9.9
69.07062	6.9
69.30285	14.7
79.05485	7.4
81.07055	16.6
83.08615	3.8
91.05482	8.9
93.07055	12.6
95.08609	24.6
99.08109	3.3
105.07025	18.6
107.08614	12.9
109.10155	18.2
111.08086	95.8
112.08459	2.2
119.08569	13.5
121.10149	100.0
122.10497	2.1
123.08080	29.6
123.11723	10.6
131.08548	4.8
133.10112	6.5
135.08249	2.2
135.11702	5.2
137.09610	20.2
137.13277	6.2
137.87172	2.6
139.11162	2.4
145.10106	5.4
147.11700	10.8
149.09671	3.2
149.13281	2.3
151.11179	4.5
159.11699	3.3
161.13284	3.4
165.12750	27.4
169.10007	2.7
171.11623	3.0
173.13315	2.9
176.99260	2.6
183.13809	6.2
189.16367	3.0
195.00267	5.9
231.77322	2.3
275.23706	88.4
283.37897	2.1
338.09192	2.4
338.81137	2.7
449.30447	3.5
481.32846	3.0
508.27829	7.3
509.32687	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10674	0.8
55.05524	0.8
57.03439	0.8
67.05499	2.7
69.07073	2.1
71.30232	1.3
71.30584	1.0
79.05486	1.8
79.78129	0.8
81.03433	1.2
81.07066	2.7
85.02905	1.1
85.06545	0.8
89.65132	0.7
90.22212	0.7
91.05469	3.8
93.07052	2.5
95.08608	2.5
97.10093	0.8
105.07030	2.6
107.04951	1.5
107.08603	2.2
109.10197	2.4
121.10146	0.9
123.04461	1.9
123.08081	0.9
131.08609	0.9
133.02869	1.4
133.10187	1.8
135.04474	1.4
135.11751	1.1
136.16704	0.8
137.05951	1.9
141.07063	0.8
143.08527	1.1
147.07973	0.8
147.11697	1.1
149.09653	0.9
151.03932	2.3
151.07568	0.8
153.01840	6.3
153.05527	1.3
157.10208	0.9
159.11755	0.9
161.13179	1.2
165.05498	2.7
166.06252	3.4
167.07088	1.9
173.13316	1.0
179.07001	0.9
180.07849	2.2
181.29675	0.9
203.03452	6.8
210.14801	1.0
213.05559	2.3
222.05244	1.2
229.04999	4.5
241.05019	2.7
242.05753	12.6
245.06261	1.0
257.04465	54.3
258.05185	14.2
269.04483	2.6
270.05225	4.0
271.06039	5.1
285.04007	5.2
286.04712	18.9
287.05713	12.9
289.05344	9.2
297.03952	24.2
300.06207	0.9
347.09155	1.2
361.07193	1.3
373.07599	0.9
375.08429	1.8
379.08099	1.2
389.06860	1.1
402.07254	2.4
403.08221	1.9
405.05902	2.4
407.07877	0.9
421.09082	1.2
430.06796	3.9
431.07397	1.1
433.09778	1.3
435.07178	0.9
447.07294	1.2
447.23483	1.7
449.08716	2.4
461.05344	1.4
465.11826	26.5
465.24615	5.3
466.12125	2.1
475.06693	0.9
491.09995	7.5
491.22479	7.8
492.10049	1.2
509.10855	100.0
509.22906	27.2
510.11270	7.0
510.24106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27851	0.5
60.04506	0.6
67.05509	0.8
69.03410	0.7
69.07069	0.6
70.06579	1.0
71.31837	0.7
72.08151	0.6
79.05482	1.7
81.07060	1.1
81.21124	0.5
84.08124	0.6
85.02881	0.8
86.09718	4.4
88.04053	0.7
90.89883	0.5
91.05468	1.9
95.08632	0.7
97.02811	0.5
102.62607	0.5
103.05470	1.0
107.04945	3.1
110.03726	0.6
115.05465	1.2
117.07012	1.9
120.08089	4.8
123.04457	0.7
125.06028	0.7
128.06277	0.8
129.07001	1.0
131.04915	0.6
133.06516	1.2
136.55638	0.5
137.05959	2.6
140.07008	0.6
141.05196	0.9
144.05759	0.7
145.06493	2.4
146.56734	0.5
151.03899	0.6
157.06476	1.5
157.64272	0.5
161.05980	2.1
167.07022	7.8
169.04691	1.0
172.05264	1.7
173.05992	1.7
174.06714	0.6
175.07558	0.9
181.04951	6.0
187.07512	1.2
189.05446	1.0
190.06262	1.2
201.05423	1.6
201.12376	1.2
203.06999	0.8
205.08681	1.3
217.08656	0.7
218.05721	3.8
219.06474	1.5
221.08084	1.6
230.72249	0.6
233.08072	14.4
233.10263	1.0
246.05003	2.0
247.05679	3.8
251.09210	0.8
263.09207	2.0
279.17035	1.0
285.09470	6.1
293.08365	0.5
347.14154	0.6
417.15515	5.1
451.12198	1.2
491.19116	7.2
492.19681	1.1
509.16281	100.0
510.16519	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	509.2
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
64.40368	0.6
67.05513	1.8
69.03427	2.0
69.07066	2.0
71.05011	1.4
71.30521	0.7
75.29517	0.7
76.16666	0.6
79.05507	2.5
81.07060	4.2
85.02915	1.2
85.06548	1.1
91.05481	2.3
93.07053	2.1
95.04993	1.2
95.08636	2.3
97.02901	1.2
97.06544	0.9
97.10172	0.7
105.07042	2.6
107.08604	2.1
109.02882	0.8
109.06617	0.6
109.10168	1.8
111.08115	0.6
117.06992	1.1
119.08582	1.6
121.06512	0.9
121.10180	1.3
127.03936	0.7
131.08614	1.2
133.10170	1.0
137.05966	1.0
139.11273	0.5
143.08542	0.7
145.10143	1.8
149.13307	0.7
159.11716	0.9
163.11221	0.8
165.09134	1.7
169.10091	0.8
173.13312	1.0
203.05296	1.7
227.05305	1.1
243.04887	1.5
243.13670	2.3
245.06377	2.5
245.15237	1.6
255.11423	0.8
257.10049	0.7
261.14618	4.8
283.34625	0.7
284.08987	0.7
287.03693	6.4
289.05307	8.2
398.26035	0.7
423.19928	5.9
424.20328	0.9
465.20987	46.8
466.21509	4.3
477.14642	0.6
509.19958	100.0
510.20151	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	509.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49981	0.5
55.05514	0.6
61.64941	0.5
67.05517	0.8
69.03421	1.2
69.07081	1.0
69.16086	1.4
69.16480	3.8
79.05487	1.5
81.07074	0.9
83.04977	0.6
85.26569	0.6
91.05470	1.2
93.07039	1.5
95.04971	2.2
95.08624	0.7
97.06538	0.6
98.22547	1.0
105.07056	1.9
107.08637	0.7
109.06533	0.9
131.04950	0.5
136.08286	0.7
137.05977	2.8
145.10136	0.7
151.07549	0.7
163.11168	1.0
167.79193	0.7
187.11136	0.7
203.05334	1.2
209.11771	0.9
215.10823	0.7
227.05345	0.7
243.04782	2.5
243.13631	1.3
245.06296	4.3
261.14676	6.0
287.03702	5.4
289.05341	8.6
368.26892	0.6
423.19843	7.8
439.15991	1.1
465.20956	43.6
466.21274	2.3
509.19940	100.0
510.20209	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50887	5.0
69.96031	9.0
69.96420	11.2
70.06580	11.4
72.08173	8.6
79.05459	5.4
84.08172	5.7
85.02940	4.8
91.05495	9.5
95.04960	7.3
97.02915	6.1
103.05472	37.7
107.04938	6.4
109.02894	7.7
120.08114	9.6
123.04469	7.0
129.10234	6.6
131.04921	100.0
137.05981	56.6
147.04411	37.5
149.05954	17.4
151.07565	7.7
161.05881	10.0
162.06847	9.7
163.07559	55.9
170.94240	5.0
175.07545	22.7
179.07076	11.8
181.08585	13.2
193.08638	23.7
299.12784	6.1
317.13876	6.3
428.35233	5.1
531.56390	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	509.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.01860	7.5
60.82974	3.2
67.92966	3.2
69.03429	4.8
69.63528	3.5
70.06602	11.7
71.30862	4.6
72.08156	10.5
79.05495	5.4
84.04501	5.6
84.08150	7.2
85.02911	10.3
86.09718	17.8
91.05486	16.3
93.03381	3.9
93.07027	4.2
93.19382	3.7
95.04964	4.5
103.05473	36.4
105.07067	5.6
107.04961	6.5
115.05430	3.9
119.04944	6.8
120.08128	7.5
121.06505	11.0
123.04411	6.1
123.18776	3.9
127.48093	3.4
129.07016	5.1
131.04930	100.0
133.06529	5.6
137.05983	57.8
147.04408	37.2
147.08020	7.9
149.06000	11.3
149.09622	9.4
150.06693	4.5
150.09993	3.4
151.07574	12.2
157.06581	4.1
161.05983	12.4
162.06743	9.7
163.07541	70.1
167.07086	7.4
174.15144	3.3
175.07544	22.6
177.05513	8.7
179.07112	10.3
193.08595	29.9
197.01300	4.4
205.08687	4.2
297.10913	4.2
299.12775	7.4
317.13837	6.7
378.18668	4.1
431.48978	3.9
509.15793	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	509.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01884	1.2
55.05521	1.8
57.07098	1.1
67.05527	4.0
69.03429	7.5
69.07083	2.4
71.05000	1.7
72.08189	1.4
76.71912	0.9
79.05514	2.5
81.03432	1.9
81.07062	5.7
83.05009	1.5
83.08651	1.4
85.02917	2.9
91.05521	3.4
93.07083	4.0
95.05014	1.0
95.08622	5.0
99.04452	1.3
105.07075	3.7
107.08620	4.2
109.06561	1.1
109.10165	4.5
111.08083	1.7
119.08646	3.5
121.10191	2.7
123.11747	1.2
127.03944	1.3
131.08591	1.3
133.10161	2.4
135.11758	1.9
137.05965	0.9
142.53207	0.8
143.08611	1.4
145.10184	1.1
147.11746	2.3
157.10199	1.1
159.11787	1.1
163.14963	1.1
171.11804	1.0
201.12914	1.1
203.05351	3.0
231.05063	1.2
233.17697	0.9
243.04733	1.6
243.17245	1.1
245.06323	8.5
261.14984	2.6
261.18396	1.3
267.88129	0.9
287.03726	14.2
289.05298	100.0
290.05902	3.0
375.87134	0.9
386.48395	1.1
402.40085	1.0
408.66803	0.9
410.53931	1.0
465.25021	9.8
491.22937	3.9
509.23880	44.5
509.41443	1.6
510.24213	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2358
Annotation	Difluprednate
Peak:m/z	Relative Intensity
55.05508	2.4
59.21816	1.9
59.22157	2.4
65.49602	2.1
79.27615	2.1
81.07088	4.9
91.05516	2.9
93.07013	2.4
107.04977	2.2
107.08598	2.5
137.05946	5.0
191.07076	3.1
194.02689	4.3
229.92908	2.3
261.18335	2.3
268.85281	2.2
287.03708	3.1
289.05289	7.1
387.16714	3.4
423.23489	3.1
447.23431	10.7
465.24667	35.0
491.15536	4.0
491.22559	80.5
492.23151	5.4
509.16434	5.8
509.23602	100.0
510.24048	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	509.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05638	0.8
70.56660	1.9
74.35949	0.9
76.53271	1.0
81.07053	1.7
85.06569	1.0
89.89109	0.9
93.07052	1.4
95.08643	1.0
98.22699	1.1
105.07047	0.9
107.08623	1.5
109.10152	1.0
122.24142	0.8
130.47522	0.9
195.94826	0.9
201.03725	2.2
203.05341	3.0
206.40962	0.8
227.05345	1.8
242.05859	1.4
243.04712	10.4
243.17331	1.2
245.06270	8.9
257.04410	4.7
261.18301	4.6
271.04282	2.7
286.04660	1.2
287.03726	67.2
288.04105	2.6
289.05295	88.2
290.05768	2.2
297.04092	1.1
409.20184	1.1
423.23532	1.7
447.23471	6.0
465.11487	1.1
465.24771	6.2
491.22513	100.0
492.22949	9.0
509.11588	8.4
509.23566	31.2
510.23907	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	509.2725
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
55.05514	0.4
58.63365	0.2
67.05496	0.4
69.07059	0.2
71.04996	0.2
79.05500	0.3
81.07059	0.7
91.05504	0.4
93.07046	0.5
95.08601	0.8
96.28783	0.2
105.07050	0.6
107.08600	0.7
109.10159	0.6
111.08089	0.2
112.81767	0.2
119.08580	0.8
121.06427	0.3
121.10163	0.7
123.11702	0.2
131.08583	0.3
133.10144	0.7
135.11644	0.4
139.07501	0.2
145.10139	0.4
147.11673	0.2
149.13251	0.3
157.10141	0.3
159.11758	0.4
161.09615	0.3
173.13243	0.3
174.91382	0.2
175.11282	0.2
175.14781	0.3
181.12292	0.2
185.04247	0.2
189.12708	0.3
189.16379	0.4
190.16661	0.2
233.15453	0.5
244.48900	0.2
274.17065	0.2
347.21973	0.3
509.27148	100.0
510.27460	6.1
510.34711	0.3
512.63806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.5
57.03424	8.3
64.38547	3.8
67.05498	30.5
69.07068	14.4
69.36037	22.1
79.05493	8.3
81.07066	29.4
83.08625	11.0
84.79180	3.8
85.06510	3.4
91.05478	7.7
93.07053	13.3
95.08610	28.3
97.10178	6.2
98.23357	8.1
98.98473	73.2
105.07043	6.7
107.08595	4.7
109.10173	14.0
114.74748	3.4
119.08523	3.4
123.11710	4.5
131.22502	3.9
149.13240	4.2
155.01125	6.5
161.13283	3.7
173.02147	15.2
175.42171	4.0
337.27353	100.0
338.27661	7.5
452.92694	4.0
492.15616	3.5
509.31006	28.2
536.53711	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	510.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01870	7.6
57.03434	3.6
67.05473	4.0
69.03439	14.1
70.83855	2.5
71.04996	5.3
71.30619	2.3
71.46735	2.7
73.02920	3.7
81.03403	12.9
81.07071	6.1
85.02906	37.0
87.00822	11.5
91.03981	2.7
91.05482	100.0
93.07075	3.6
95.08614	4.7
97.02892	32.9
99.04436	8.2
105.01863	10.5
105.07018	4.6
107.08624	4.0
109.02912	15.1
111.56550	2.3
119.08602	6.4
124.70561	2.6
127.03923	30.9
137.02380	3.0
145.04976	26.1
147.11726	2.7
159.02904	9.0
159.11693	3.0
165.09103	3.4
210.90997	2.8
213.04033	3.9
231.04933	4.2
289.05328	10.3
394.28378	3.0
466.24927	7.9
471.16428	2.8
510.11224	6.2
510.23840	42.9
511.23312	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	510.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67855	0.9
53.03948	1.8
55.01888	1.8
55.05515	4.8
57.07086	1.1
65.03936	2.8
67.05516	1.8
69.03426	4.1
70.21992	2.3
70.22359	2.3
71.04963	1.1
71.95449	0.9
73.02910	1.3
79.05473	1.1
81.03428	4.8
81.07056	2.2
83.04977	1.1
83.08606	2.7
85.02905	11.7
85.06535	1.8
87.00841	5.7
91.05485	100.0
92.05819	2.6
93.07028	2.1
95.08630	3.6
97.02908	9.0
98.23214	1.2
99.04455	2.8
100.11269	10.8
105.01875	4.8
105.07035	1.1
107.08620	1.7
109.02873	5.3
109.10152	1.6
119.08569	1.0
121.10152	1.4
127.03919	12.4
131.08534	1.2
133.10106	1.1
137.13336	1.3
143.08595	1.1
145.04970	5.9
159.02893	4.3
165.09143	1.0
167.03418	2.8
180.18306	1.3
182.15456	4.9
183.15739	1.1
184.22931	1.1
197.74208	1.1
208.07051	1.0
210.14944	3.6
225.18457	2.4
226.18942	3.3
227.19431	1.4
257.04483	3.5
258.04886	5.4
285.03708	1.0
286.04587	2.2
287.05542	1.8
288.06082	1.4
289.05249	3.8
297.04062	1.9
309.21786	2.2
311.23337	1.6
466.12048	2.8
466.24869	1.8
492.22818	10.1
509.40689	3.1
510.11169	16.6
510.23773	16.7
510.40622	3.0
511.20737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01868	7.6
55.05518	1.5
57.03430	1.4
58.12570	1.0
61.02914	1.3
67.05489	3.7
69.03428	10.1
69.07077	5.8
69.32720	2.8
69.33141	4.7
70.06586	4.1
71.04996	3.0
73.02921	1.7
77.86266	1.2
79.05463	5.8
80.94126	0.9
81.03413	5.6
81.07065	6.6
83.04978	1.7
85.02908	15.4
85.06535	3.7
87.00832	6.9
91.05502	2.9
93.07051	10.5
95.04975	2.0
95.08598	8.6
95.18317	1.0
97.02868	8.0
97.06532	8.1
98.22617	2.0
99.04452	6.8
105.01889	3.5
105.07018	10.9
107.07862	1.2
107.08589	23.9
109.02885	7.1
109.06521	6.2
109.10139	1.5
111.08064	1.5
113.06009	2.2
113.65116	1.2
116.07085	4.4
117.01892	1.3
119.08589	2.8
121.06482	5.6
121.10166	8.0
122.06065	1.4
123.08061	4.5
123.11777	1.1
125.05949	1.8
127.03900	8.6
128.95686	1.0
130.07762	1.3
131.08583	1.4
133.10130	1.9
135.08049	1.8
135.11726	4.9
136.07570	4.7
137.05968	1.8
139.11137	1.6
142.55013	1.3
145.04939	2.4
145.10129	7.7
147.11696	3.1
149.09637	3.5
151.07542	6.2
153.12772	1.6
157.08553	1.1
159.02911	2.9
159.11716	1.0
163.11192	15.9
164.07027	5.2
165.12831	1.1
167.07143	1.0
167.10666	8.2
169.08604	61.6
173.09683	1.6
181.12209	13.4
185.11700	3.2
191.10635	7.4
193.12239	1.7
205.12160	1.3
209.11725	9.6
217.12178	1.3
227.12781	100.0
228.13136	3.2
231.04958	1.4
245.13873	2.7
253.14366	1.9
262.10593	1.4
287.14255	1.1
439.16318	1.4
511.18118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
55.01874	12.2
55.05515	7.7
57.03432	3.2
57.07077	1.2
59.05007	1.0
61.02922	2.4
65.03953	1.7
67.05506	12.1
69.03432	3.9
69.07072	25.9
69.18764	2.8
69.19170	5.5
71.01364	2.1
71.04997	10.3
73.02927	2.7
79.05499	18.8
81.07059	31.7
81.07520	2.0
83.01353	6.4
83.04987	10.3
83.08646	1.1
85.02922	3.0
85.06557	7.3
87.00830	2.6
87.04485	3.2
91.05490	17.5
93.07049	41.6
95.04974	100.0
95.08611	11.7
96.05343	2.7
97.02919	1.5
97.06540	15.3
99.04458	9.1
101.02381	2.4
101.06016	1.1
103.05460	1.7
105.07037	40.9
106.07315	2.0
107.04974	7.7
107.08594	20.4
109.06528	18.0
109.10165	2.2
111.00805	9.7
111.04432	2.8
111.08092	3.1
111.11741	3.9
113.06011	2.8
115.03928	5.8
115.05463	1.1
117.07021	7.7
119.04981	3.0
119.08588	13.1
121.06516	10.9
121.10148	35.7
123.04446	3.1
123.08065	3.4
125.05978	11.0
127.07552	5.9
129.01837	10.2
129.07094	2.1
130.07803	4.9
131.08572	18.0
133.05049	1.3
133.06523	4.4
133.10136	5.4
135.04425	2.5
135.08075	4.6
135.11694	14.4
137.05986	10.6
138.19606	0.9
138.91841	1.0
139.07545	5.6
139.11183	14.3
141.05466	1.9
141.07034	1.3
143.03384	5.9
143.07030	6.8
143.08577	5.2
144.09360	2.1
145.06497	1.9
145.10132	56.3
146.10509	1.5
147.08044	2.7
147.11667	4.4
149.06056	1.5
149.09615	8.4
151.07547	23.6
153.05502	3.0
153.12753	1.2
155.07053	13.9
155.08389	2.1
157.01367	3.5
157.10193	1.1
158.07269	1.7
159.08066	3.0
159.11713	17.1
161.04471	3.9
161.09679	3.7
161.13264	1.5
163.11189	41.6
164.11525	1.2
165.09161	2.5
167.10706	1.6
169.08815	1.3
169.10133	4.9
171.02885	13.3
171.08049	1.1
173.09637	20.7
175.11147	1.1
177.12663	1.5
181.12239	18.2
187.11182	31.8
188.11520	1.2
189.03955	12.8
189.09070	1.7
189.12756	2.8
191.10669	38.5
192.11015	2.0
197.09566	2.2
199.13351	3.3
199.79115	1.2
205.12268	23.0
206.12671	1.4
207.05063	2.1
207.10168	1.6
209.11725	29.2
215.10681	21.4
216.10832	1.1
223.13327	2.3
227.12816	4.0
231.05009	26.2
232.05299	1.3
233.11736	30.6
251.12817	26.8
252.13210	1.1
259.04492	4.0
269.13824	19.5
287.15027	1.3
303.10876	1.4
313.09131	1.5
331.10269	2.7
331.65952	1.0
369.15430	18.0
370.15692	1.5
379.14017	2.6
387.16510	1.9
397.14938	3.5
403.13916	1.5
421.14874	8.8
439.16022	49.9
440.16156	3.5
443.85025	1.0
457.17053	40.3
458.17514	3.6
475.18216	2.4
510.20145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.7
55.05510	11.8
57.03430	3.8
59.04998	2.2
65.03966	2.7
67.05505	12.9
69.01099	17.8
69.03417	9.0
69.07067	30.1
69.12920	1.8
70.06587	8.5
71.01360	3.2
71.05000	13.5
73.02901	3.2
79.05499	21.5
81.03421	3.2
81.07056	38.1
81.37172	1.8
83.01337	7.5
83.04989	11.2
83.08621	2.6
85.02904	10.1
85.06532	5.8
85.47196	1.9
86.09702	4.2
87.04471	4.9
88.42879	2.3
89.48389	1.9
91.05469	18.3
93.07044	46.3
93.07623	3.7
94.07430	2.8
95.04970	100.0
95.08620	17.1
97.06528	17.1
98.23346	4.5
99.04469	10.8
100.11272	2.9
105.07030	42.1
107.04968	7.6
107.08595	25.8
109.06525	17.7
111.00812	15.6
111.04412	3.6
111.08051	3.2
111.11728	5.8
113.06008	2.7
115.03921	6.3
115.05502	2.2
116.76077	2.0
117.06980	5.5
119.04937	4.0
119.08578	13.6
120.08112	2.3
121.06523	12.6
121.10143	30.3
122.06013	3.0
123.08058	5.6
123.17780	2.1
125.05983	10.9
127.07551	6.1
129.01801	10.6
129.07019	2.5
130.07744	2.7
131.08556	21.4
133.06496	4.9
133.10112	6.4
135.08026	4.8
135.11684	16.0
136.07559	4.0
137.05984	11.1
139.07555	5.2
139.11195	16.8
141.05525	2.6
143.03403	8.1
143.07037	6.2
143.08537	4.8
144.09267	3.1
145.10126	57.2
146.10541	2.6
147.02847	2.3
147.04411	3.0
147.08060	5.9
147.11717	4.3
149.09624	11.8
151.07532	22.8
151.11157	4.3
153.05486	4.9
155.07036	18.4
155.08243	3.2
157.10104	2.4
159.08006	4.0
159.11700	17.5
161.04427	4.1
161.09642	3.7
163.07471	3.3
163.11192	43.9
164.11505	2.7
165.09143	4.0
167.10724	4.3
169.10153	3.1
171.02867	13.0
171.07993	2.8
171.11658	2.1
173.09618	16.8
181.12230	21.1
187.11180	29.0
188.11469	2.0
189.03952	15.8
191.10657	39.6
199.13321	3.4
205.12253	26.3
207.13901	2.5
209.11719	29.7
209.15277	9.8
212.29706	2.1
215.10611	21.5
216.11128	2.7
223.13123	2.4
227.12839	3.0
231.05011	31.5
231.14186	2.2
233.11725	35.1
251.12798	29.2
259.04559	3.1
269.13824	21.8
272.97122	1.9
293.14175	1.9
313.09473	2.4
323.32056	1.9
355.56711	2.1
369.15375	19.6
397.14948	4.1
421.14804	8.9
439.16013	51.3
440.16370	4.5
457.17041	38.4
510.22034	8.2
510.39932	6.0
511.16666	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	510.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05523	1.3
57.03436	2.0
57.63675	1.1
60.52432	1.1
61.02924	1.7
67.05464	1.3
69.03436	5.8
69.11976	7.5
71.04993	1.2
73.02932	1.3
81.03421	2.7
81.07050	2.3
83.04990	1.2
85.02914	25.5
85.03434	1.8
87.00825	1.5
91.03944	1.3
91.05488	14.9
93.07061	1.0
95.04976	4.7
97.02902	8.4
98.97578	1.2
99.04489	2.5
105.01897	1.0
105.07028	2.1
107.08621	2.0
109.02882	3.6
109.06526	2.3
109.10203	1.0
119.04954	17.3
121.10122	1.9
123.08086	1.3
127.03927	7.1
133.10144	4.5
136.05174	2.1
137.05960	1.9
145.04964	8.4
149.13281	1.3
151.07550	100.0
152.07904	3.3
163.06038	3.6
165.09151	3.6
167.14290	1.2
169.08640	14.3
173.13307	2.4
191.14348	3.2
191.76855	1.0
193.08629	2.6
198.93288	1.0
209.15401	9.4
227.16499	1.5
228.94502	0.9
235.09616	1.9
277.10803	4.7
295.11771	2.1
349.08942	4.4
450.46802	1.0
510.15228	2.0
510.22043	1.2
511.14697	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	510.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01867	1.1
55.05508	0.6
57.03431	3.0
61.02930	3.2
65.03915	0.8
67.05508	1.0
67.06035	0.6
68.57282	0.5
68.60947	0.4
69.03431	8.3
69.40359	3.2
70.06594	0.7
71.05027	1.1
73.02912	1.7
79.05533	0.6
81.03416	4.4
81.07064	1.1
83.04964	0.7
85.02906	42.9
85.06541	1.0
86.09705	1.0
87.00817	0.9
87.04471	1.0
91.03947	1.9
91.05480	16.5
93.07031	0.9
95.04964	3.7
95.08630	0.8
97.02892	12.7
99.04442	1.5
103.05469	0.6
105.01871	1.5
105.07034	2.3
107.08593	2.8
108.53982	0.4
109.02872	4.7
109.06543	1.3
109.10142	0.8
111.32349	0.5
119.04948	11.9
119.08604	1.2
119.85522	0.5
120.08141	0.6
121.06548	0.6
121.10128	3.8
123.08090	0.5
127.03052	0.9
127.03920	10.8
133.06538	0.4
133.10167	1.2
135.71040	0.5
136.05196	1.8
136.07567	1.4
137.05911	1.0
139.11238	0.5
144.06587	0.5
145.04962	15.8
147.11711	1.9
149.05881	0.5
151.07541	100.0
152.07841	3.1
153.09138	0.6
163.06033	5.6
163.07393	0.9
165.09142	3.1
165.12787	1.5
169.08603	14.5
170.08951	0.5
171.08087	0.8
173.13223	1.4
175.07579	0.8
181.08580	2.3
181.67889	0.5
185.05980	0.6
189.09128	0.9
191.14281	2.6
193.08600	3.7
199.07593	0.6
205.08560	0.8
209.15376	3.3
217.08597	1.1
227.16432	0.7
235.09599	1.0
247.09563	0.5
259.09723	1.4
265.10678	0.9
277.10684	3.8
295.11731	1.9
325.11298	0.6
511.14029	1.0
521.61725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	1.5
55.19246	0.7
56.29845	0.8
57.03425	3.0
61.02926	7.0
67.05464	0.9
69.03080	1.3
69.03432	14.4
69.28696	6.3
70.06605	1.3
71.04997	1.7
73.02915	2.3
81.03432	6.5
83.05000	1.2
85.02904	74.5
86.09699	1.3
86.85843	0.7
87.04439	1.6
91.03944	3.3
91.05476	16.5
93.07043	1.4
95.04987	3.8
97.02891	18.6
99.04447	3.7
103.03902	1.0
103.05451	0.8
105.07005	1.4
107.08597	1.6
109.02904	7.7
109.06499	0.8
119.04932	13.9
120.08096	0.9
121.06522	0.9
121.10145	2.0
123.08007	1.0
127.03911	18.7
129.31039	0.7
131.08662	0.8
136.05209	1.7
137.05965	1.9
145.04956	31.8
145.06018	1.2
151.07541	100.0
152.07889	3.2
163.06033	13.8
165.09100	1.4
169.08611	14.0
175.07622	0.9
180.08429	1.0
181.08621	1.7
191.14330	1.6
193.08635	2.8
208.04414	0.8
209.15401	5.0
217.08577	1.5
258.53787	0.7
259.09738	2.0
265.10898	1.3
277.10571	4.1
325.11322	1.6
348.14224	1.3
511.13748	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33150	3.2
53.03950	3.6
55.05509	12.2
59.46038	3.5
66.36714	3.3
69.03417	13.6
69.07059	5.9
69.21541	21.6
69.21946	6.8
79.05496	4.8
81.03410	9.5
81.07055	10.6
83.04980	12.3
83.08610	14.9
85.02910	28.9
87.00832	13.1
93.07043	10.8
95.04979	21.5
95.08604	4.4
97.02906	7.1
97.06509	3.9
99.04462	11.4
105.01892	17.0
105.07039	9.0
107.08586	18.2
108.83852	3.2
109.02912	16.8
109.06540	21.8
109.10154	13.7
119.08579	7.7
121.10142	18.6
123.11729	6.6
125.09660	3.6
127.03894	22.8
131.08595	6.4
133.10118	29.8
135.08054	6.4
135.11685	7.9
139.11168	9.4
145.04955	9.8
147.11678	8.1
149.13237	10.2
151.11217	13.4
153.09041	7.1
159.02789	4.6
163.14835	4.5
167.14319	9.7
173.13261	29.5
177.08951	4.0
183.93918	4.4
191.14281	35.1
207.71478	3.4
209.15370	100.0
227.16451	5.6
231.05034	5.4
437.34396	3.8
446.00079	3.8
450.29367	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37100	7.8
55.05505	24.0
61.19677	6.7
67.05502	7.8
69.03436	19.6
69.07067	9.3
70.46078	15.3
71.04991	7.6
81.03448	13.6
81.07057	22.4
83.04964	23.1
83.08594	13.7
85.02908	29.1
87.00836	23.9
91.05473	12.5
93.07043	24.5
95.04964	36.5
95.08599	14.0
97.02908	13.3
99.04430	11.2
105.01864	12.8
105.07060	13.1
106.23281	7.8
107.08602	20.6
109.02883	21.1
109.06530	35.6
109.10171	18.0
119.08526	12.4
121.10130	22.4
123.11777	10.2
127.03909	27.6
131.08588	9.9
133.10147	35.0
145.04950	13.9
145.10205	10.1
149.13129	9.1
151.11192	26.3
153.09187	11.3
156.19499	8.0
163.11310	7.5
167.14343	22.3
173.13300	29.3
177.20122	7.9
191.14281	51.6
209.15378	100.0
223.39786	7.1
227.16335	8.9
231.05052	9.7
274.56140	7.1
453.29068	7.0
511.18533	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	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21673	2.5
53.03956	3.3
55.01879	6.4
55.05519	15.7
57.03440	3.9
58.96506	2.6
67.05509	5.4
68.47343	2.4
69.03436	10.0
69.07069	8.9
71.30824	3.0
79.05497	4.2
81.03403	4.4
81.07060	8.5
83.04983	8.2
83.08628	6.3
85.02909	17.5
86.09682	3.8
87.00803	3.3
87.28027	2.7
91.05477	7.3
93.07050	10.5
95.04980	14.6
95.08617	5.8
97.02876	6.6
97.06540	5.1
99.04482	4.8
105.01889	3.8
105.07024	7.0
107.08601	11.3
108.19654	2.3
109.02888	3.4
109.06509	7.3
109.10151	11.6
111.08105	3.2
119.08591	5.0
121.06439	3.8
121.10153	15.6
123.08086	3.0
125.09633	4.4
127.03889	7.5
133.10136	10.6
135.11751	3.6
136.07582	4.4
137.05975	6.2
139.11163	7.7
145.04979	8.0
145.10118	6.7
149.09634	3.5
149.13193	3.3
151.07533	3.6
151.11185	23.1
163.11275	2.7
167.14323	25.9
169.08585	3.9
177.05444	3.0
187.11247	3.4
191.10518	2.8
191.14346	3.7
205.12318	3.4
209.15372	100.0
210.15805	3.5
213.04063	2.7
251.12833	3.6
330.11621	3.4
348.12827	9.5
439.15826	4.4
457.16553	3.1
510.18927	4.3
511.17404	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	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15719	3.9
50.21795	3.9
55.05525	6.2
55.91293	4.6
61.56060	4.3
64.33246	4.7
67.05526	6.8
69.03432	17.8
69.04616	36.4
69.05029	9.9
75.51420	4.3
76.32600	4.5
79.05495	8.9
81.03433	7.1
81.07055	19.4
83.04979	13.2
83.08598	8.8
85.02453	5.5
85.02889	35.5
87.00835	18.7
89.02298	4.4
91.05504	6.6
93.07043	14.1
95.04958	25.5
95.08616	12.5
97.02896	11.0
97.10217	4.5
99.04461	10.6
99.08142	4.8
105.01883	17.1
105.07030	13.1
107.08598	32.0
109.02882	14.7
109.06548	27.5
109.10162	20.4
111.08108	4.6
116.64873	4.4
119.08604	10.5
121.10131	32.9
123.11691	5.8
127.03880	23.1
131.08598	11.0
133.10118	32.6
135.11694	6.9
136.07588	6.7
137.51523	5.0
145.04926	9.0
145.10039	4.8
147.11697	10.3
149.13246	11.2
151.07565	13.0
151.11185	12.6
153.09117	9.6
163.14868	6.7
165.12738	6.3
167.14316	17.2
169.08662	4.5
173.13277	25.2
191.14304	44.8
209.15384	100.0
227.16536	5.6
231.04973	8.1
503.97141	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	510.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01883	3.9
55.05513	5.9
57.03440	3.2
57.07087	3.3
58.41154	0.7
61.02928	1.8
67.05500	4.8
69.03438	7.3
69.06721	1.5
69.07072	17.6
71.05009	4.7
71.08633	6.4
73.02926	5.2
79.05499	3.3
81.03422	7.0
81.07060	22.9
83.04981	3.9
83.08636	4.4
85.02907	31.7
85.06540	5.8
85.10185	2.2
87.00826	7.0
91.05484	4.0
93.07048	4.9
95.04990	1.8
95.08605	10.6
97.02903	7.8
97.06541	2.6
97.10209	0.9
99.04447	6.9
99.08106	2.0
101.02381	9.3
101.06004	1.2
105.01900	3.8
105.07035	8.4
107.08594	8.9
109.02879	5.2
109.06522	6.6
109.10172	1.3
111.08089	2.8
113.06020	2.2
115.07584	0.9
117.07032	1.0
119.08575	5.3
121.10143	11.0
122.34521	0.9
123.08102	5.1
123.10818	1.5
123.11712	27.5
124.12067	0.9
127.03913	7.3
127.07546	7.4
127.14890	1.2
133.10182	0.8
137.13298	2.7
141.09077	2.6
145.04988	3.0
145.10181	1.7
147.11690	31.8
148.12024	1.5
155.14325	7.4
159.02892	1.4
161.36916	0.8
161.55365	0.8
165.09129	1.4
165.12761	18.8
183.13812	100.0
184.14172	2.1
201.14865	88.5
202.15234	3.2
209.13315	0.8
227.16452	1.3
231.05046	1.5
244.59016	0.8
257.19168	0.8
289.05353	6.8
290.05563	5.5
298.29071	0.9
307.38409	0.8
466.25134	1.5
510.24350	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	510.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.4
67.05505	42.8
69.03423	23.0
69.07058	18.1
69.09349	62.4
70.26746	6.8
71.00506	6.2
71.04980	6.4
71.08633	13.6
79.05483	18.1
81.03397	7.8
81.07062	58.2
83.04983	9.3
83.08611	17.2
85.02912	12.0
85.06510	6.3
91.05461	15.8
93.07040	32.6
95.04981	14.3
95.08613	32.2
97.06568	11.5
97.10156	18.1
99.08086	13.0
104.09522	6.6
105.07020	10.4
107.04961	7.7
107.08585	14.7
109.10135	7.9
111.08080	11.8
111.84087	7.2
121.10172	8.5
125.09656	8.8
127.03868	7.0
133.10081	17.1
135.08116	7.9
135.11699	18.7
136.22087	6.4
137.05946	9.7
147.11610	7.8
149.13237	29.6
159.11638	14.4
177.12775	7.7
181.40024	6.0
189.11288	12.8
195.13826	83.8
213.14830	100.0
245.13541	6.5
274.09637	7.7
277.21634	22.9
289.05280	10.7
295.22498	19.0
364.41782	7.7
420.70227	8.2
510.24265	39.1
511.23880	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	510.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05039	1.2
56.51583	0.2
57.03428	0.5
57.07077	3.3
58.06584	1.4
59.07389	0.4
60.08165	18.0
67.05489	0.8
69.07055	0.4
69.39420	1.2
70.06573	0.3
71.07375	6.9
71.08627	2.1
72.64987	0.2
81.07052	1.0
83.08607	0.7
85.10200	0.9
86.09706	51.8
87.10040	0.6
93.07063	0.2
95.08622	1.2
97.10154	0.5
98.98466	4.2
104.10745	100.0
105.10484	0.2
105.11063	1.3
109.10159	0.6
125.00005	31.1
126.00432	0.3
143.01024	0.3
163.01604	0.6
181.02530	0.2
184.07344	96.2
185.07693	1.5
207.08351	0.2
258.11087	1.1
310.51093	0.2
313.27328	0.6
327.29013	1.8
433.27316	0.4
434.10095	0.2
492.34506	7.8
493.34863	0.6
495.50900	0.2
510.35583	23.3
511.36444	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.1
55.75460	5.0
56.82183	4.4
57.07079	96.0
60.08178	10.4
61.02923	4.7
67.05515	33.7
69.03423	9.6
69.07069	23.5
69.08790	33.3
71.08633	80.2
81.03426	8.9
81.07064	44.3
83.08598	27.2
85.02900	21.5
85.10188	39.6
86.09724	41.5
89.01920	4.9
95.08605	63.5
97.02899	7.2
97.10172	15.7
98.23457	7.5
99.04495	4.7
104.10751	84.2
104.44736	3.7
107.08572	4.3
109.02937	4.6
109.10172	31.2
121.06530	8.3
121.10138	5.9
123.11704	15.0
125.00005	25.6
125.13300	4.7
127.03900	23.1
137.13179	7.0
145.04959	11.2
184.07346	80.7
233.15344	15.4
238.18350	4.7
239.23729	85.0
257.24796	7.5
313.27353	100.0
314.27710	6.3
331.28375	10.5
383.28079	30.4
401.28961	34.4
402.29147	5.6
421.49167	4.8
510.20712	18.2
510.34753	20.2
511.19843	5.3
511.34140	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	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.9
55.93852	1.7
57.07080	33.1
69.07066	5.6
69.17667	4.3
69.18069	8.9
69.53649	1.5
71.08640	27.9
73.06561	4.6
75.66416	1.6
81.07062	2.4
83.08606	3.8
85.10181	15.5
87.04467	2.5
89.06035	100.0
91.07569	1.9
97.10182	6.2
99.11724	2.3
107.07100	3.2
111.11732	2.5
117.09124	2.2
130.08643	2.7
133.08617	48.9
151.09741	2.2
175.33040	1.8
177.11238	17.7
178.31972	1.6
238.85056	1.7
283.17450	12.8
299.29535	4.0
359.52908	2.0
395.45349	1.7
491.73141	1.8
493.41101	12.7
494.41367	2.0
510.36176	3.5
511.31970	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	511.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22714	0.8
54.38860	0.8
70.06591	1.3
70.31752	1.4
70.32083	1.6
77.14220	0.8
79.05448	1.0
81.07045	1.1
86.09676	0.8
91.05502	1.3
93.07056	1.7
95.08608	1.3
103.51844	0.7
105.07008	1.1
107.08600	1.0
119.08581	0.9
122.38390	0.9
137.06000	2.2
165.09273	0.9
167.07120	1.6
175.07536	0.9
188.28331	0.8
189.28990	0.8
227.05165	1.3
263.16153	4.3
287.05673	1.4
354.74844	0.9
425.21375	10.0
449.21494	1.1
467.22525	42.5
468.22952	2.3
511.21457	100.0
512.21576	7.6
530.24023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25016	0.8
79.05493	2.3
81.07039	1.4
91.05494	7.1
94.04183	5.6
95.04976	1.5
95.08633	1.1
103.05476	2.8
105.07058	2.4
119.04963	3.8
121.06546	2.0
122.03644	11.5
128.06244	1.2
129.07011	2.4
131.04903	7.0
131.08597	1.1
133.06503	2.3
135.08066	1.8
136.05225	2.1
137.05977	100.0
138.06311	2.1
143.08563	1.4
145.06487	1.9
145.10161	1.0
149.05978	3.5
151.07552	22.8
152.06183	1.7
155.08395	0.9
157.06461	1.7
158.72751	0.8
159.08022	1.4
161.05986	3.7
163.07533	11.4
165.07013	4.7
165.09138	1.7
166.07742	1.2
167.07037	2.5
167.08575	3.3
171.08047	1.9
174.06787	1.8
175.07558	3.5
177.09181	2.1
181.06444	1.5
182.07346	1.8
187.07571	1.9
189.09085	5.8
193.06516	3.1
195.08064	3.8
201.09148	1.5
203.10690	4.4
207.08096	1.1
210.06757	3.1
212.08296	1.2
214.18025	0.9
219.08031	1.1
221.06044	4.4
223.07507	1.0
224.08414	2.1
225.09183	4.5
227.07097	0.9
227.10590	4.8
229.00340	1.0
231.08231	0.9
238.06142	1.1
249.09030	1.5
252.07898	1.1
253.08492	4.2
255.10184	4.7
267.10080	4.1
285.11237	9.7
287.12857	9.9
293.11548	1.1
305.11621	1.3
313.14258	1.9
319.13187	1.1
337.14313	2.4
351.15811	4.1
415.19052	2.3
423.16388	1.1
443.18796	1.6
467.21423	4.1
498.82791	0.8
511.20346	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	511.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
57.07050	0.3
67.05500	0.6
67.86705	0.2
69.04058	2.2
69.07053	0.7
79.05473	0.8
81.07047	1.0
82.58043	0.2
83.08601	0.3
91.05466	0.7
93.07040	1.0
93.32375	0.2
93.93038	0.2
95.08606	1.4
98.22593	0.4
105.07018	1.1
107.04964	0.3
107.08621	1.5
109.06470	0.4
109.10162	1.0
111.08096	0.4
117.07015	0.3
119.08569	1.4
120.22145	0.2
121.06508	0.5
121.10142	1.6
123.08060	0.4
123.11684	0.7
129.06963	0.3
131.08568	0.5
133.10078	1.1
135.08028	0.4
135.11661	0.8
143.08572	0.7
145.10075	1.0
145.57445	0.2
147.08029	0.3
147.11682	0.6
151.11110	0.3
156.09302	0.2
157.10135	0.4
159.08023	0.4
159.11674	0.5
161.09619	0.6
161.13274	0.6
163.11162	0.2
167.08580	0.2
169.10098	0.6
171.11723	0.5
173.09538	0.4
173.13216	0.3
175.11134	0.4
175.14815	0.3
183.11687	0.3
187.14847	0.8
189.12755	0.4
189.16362	0.7
197.13318	0.4
199.11130	0.4
199.14842	0.3
201.12619	0.3
201.16229	0.3
203.05222	1.2
203.14278	0.3
209.13225	0.4
213.12767	0.3
214.13103	0.2
217.16037	0.3
223.11308	0.3
223.14754	0.3
225.12692	0.3
251.14265	0.3
259.07919	0.6
269.18863	0.3
293.18909	0.2
433.31207	0.5
451.27634	0.4
493.32611	0.9
511.28568	100.0
512.28857	7.6
512.36249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68719	0.2
55.05497	0.4
58.80432	0.2
61.12142	0.2
67.05518	0.5
69.07075	0.8
79.05498	0.4
81.07071	1.1
83.04999	0.3
83.08659	0.3
86.22888	0.2
88.07720	0.2
90.07217	0.2
91.05499	0.5
93.07055	0.9
95.08618	1.6
98.00880	0.2
105.06442	0.2
105.07032	1.2
107.08604	1.3
109.10177	0.9
116.74499	0.3
117.07052	0.2
119.08572	1.3
121.06539	0.3
121.10157	1.6
123.08037	0.2
123.11718	0.7
131.08592	0.7
133.06540	0.4
133.10156	0.8
134.89578	0.2
135.11719	0.7
137.09613	0.3
143.08543	0.4
145.10101	1.4
147.08096	0.5
147.11705	0.4
149.13312	0.3
155.08582	0.3
157.10220	0.4
159.11736	0.9
161.09570	0.3
161.13300	0.5
163.11247	0.5
169.10161	0.4
171.11726	0.4
173.09660	0.2
173.13293	0.6
175.11180	0.2
175.14806	0.4
177.12746	0.5
183.11710	0.2
185.13220	0.2
187.11224	0.4
187.14899	0.5
189.12819	0.3
189.16447	0.7
197.13283	0.3
198.10411	0.2
199.11156	0.3
201.58371	0.2
203.14319	0.4
209.13287	0.4
225.12717	0.2
225.16209	0.3
231.13945	0.4
233.15392	0.2
255.17412	0.3
269.19186	0.4
281.19049	0.3
285.18558	0.3
433.31415	0.5
451.32037	1.0
493.33392	1.3
511.34036	100.0
512.34399	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	511.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32980	0.3
51.02367	0.5
53.03931	1.4
55.05514	2.1
57.07052	1.4
57.51360	0.3
60.27078	0.3
65.03932	0.4
67.05508	5.1
69.03430	0.6
69.05237	0.7
69.05642	2.3
69.07071	4.5
69.54009	0.4
71.04971	0.5
71.08620	0.6
79.05494	7.8
81.06591	0.6
81.07061	11.4
83.04921	0.4
83.08604	1.7
85.06522	0.5
91.04960	0.6
91.05481	7.4
93.06470	0.8
93.07047	13.5
95.04973	2.2
95.08608	12.7
97.06535	2.4
97.10166	0.4
99.08092	2.3
103.05419	0.4
105.07031	9.4
107.04955	1.9
107.08596	15.4
108.08927	0.5
109.06518	1.4
109.10157	13.7
111.08080	4.3
117.07017	1.4
119.08582	12.6
121.06512	48.4
121.10143	13.7
122.06853	1.0
122.10476	0.4
123.08067	9.1
123.11712	7.0
125.05994	11.8
125.09670	0.4
129.06985	0.5
130.07791	0.4
131.08568	3.7
133.06540	0.6
133.10132	16.8
134.10461	0.6
135.08043	2.4
135.11688	4.8
137.05980	0.5
137.09576	0.4
137.13272	0.8
139.07550	12.7
139.11183	0.5
141.06995	0.5
141.25786	0.3
142.07767	0.7
143.08553	2.9
144.09311	0.6
145.10127	7.7
147.08052	1.8
147.11687	5.0
149.06017	0.6
149.09650	1.5
149.13255	13.5
150.13666	0.4
151.07549	1.0
151.11230	0.5
155.08548	1.3
156.09377	0.9
157.10124	3.2
158.06955	0.3
158.10945	0.5
159.08022	2.0
159.11678	5.5
161.09650	3.1
161.13252	6.3
163.07536	1.7
163.11195	0.8
163.14825	2.8
165.09135	0.7
165.12794	0.4
169.10185	1.1
171.11699	2.8
172.12505	0.9
173.09624	2.7
173.13246	3.9
175.11168	4.5
175.14856	1.5
177.09099	1.6
177.12766	0.9
177.16409	1.5
179.10759	0.6
181.10106	0.7
182.11012	0.9
183.11758	0.9
185.09570	0.4
185.13310	1.3
187.11176	1.1
187.14836	7.2
189.12756	9.2
189.14738	0.4
189.16383	4.4
191.10741	1.1
191.14378	1.0
191.17949	4.4
193.12350	1.0
195.11723	0.4
197.13289	2.6
199.11232	0.5
199.14861	1.5
201.12689	0.8
201.16466	0.9
203.14362	1.4
203.17924	0.8
205.12325	0.5
205.15868	1.7
207.11765	0.4
209.13194	0.4
211.14751	0.6
213.12753	0.7
213.16452	0.8
215.14330	15.2
215.17926	1.0
216.14709	0.7
217.12340	0.4
217.15881	3.9
219.13860	1.5
227.14400	0.7
227.18066	0.4
229.12393	0.4
229.15976	0.8
231.14014	0.5
231.17480	0.6
233.15366	100.0
234.15700	4.6
235.17105	0.6
239.17793	0.4
241.15817	0.6
241.19548	0.8
243.17467	2.1
245.15353	0.7
245.19078	1.2
247.17001	0.5
256.26706	0.3
257.19009	0.7
259.17087	1.0
259.20618	0.5
261.18481	3.5
269.19138	1.1
275.20056	2.9
277.18341	0.4
283.20749	0.5
285.18628	0.4
287.20148	2.5
297.18387	0.5
299.20062	1.3
301.21643	3.0
303.19821	0.6
303.23376	0.4
313.21774	1.0
327.19839	0.4
327.23389	0.8
329.21332	0.4
353.24957	0.6
405.31476	1.8
423.32578	16.2
424.32953	1.6
433.31204	2.5
434.31186	0.4
441.33994	0.4
451.32291	3.6
465.33667	0.9
469.33768	0.4
475.32037	0.5
483.34906	0.9
493.33133	2.7
494.33496	0.4
511.34393	17.7
512.34814	1.7
512.50751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
53.70543	0.4
55.05505	1.7
57.07067	1.3
62.27294	0.3
66.33279	0.3
67.05511	3.6
69.07067	4.0
69.33890	2.6
74.09748	0.4
79.05059	0.6
79.05494	8.4
80.07195	0.3
81.07055	9.8
83.04963	0.4
83.08615	1.3
85.06561	0.5
85.10133	0.4
91.05470	4.0
93.07043	10.6
95.04932	1.2
95.08601	8.9
97.06541	2.4
97.80927	0.4
99.08102	2.5
105.07028	6.7
107.04962	2.3
107.08589	12.3
109.06495	1.1
109.10162	10.7
110.10538	0.4
111.08094	3.1
117.07018	0.9
119.07771	0.7
119.08582	10.2
121.06517	7.8
121.10146	11.1
123.08076	1.7
123.11705	6.2
125.05992	16.7
129.07010	0.6
131.08580	2.8
133.10132	14.6
134.10497	0.6
135.08060	1.4
135.11673	3.9
137.13179	0.4
139.07545	17.7
140.07895	0.4
143.08557	1.5
144.09268	0.4
145.10136	5.7
147.08058	1.3
147.11690	3.5
149.06061	0.4
149.09622	1.1
149.13258	13.2
149.14468	0.7
150.13649	0.5
151.07455	0.4
155.08601	0.5
157.10112	2.2
159.08092	1.8
159.11705	3.2
161.09630	2.3
161.13254	8.1
163.07536	1.6
163.11249	0.5
163.14838	1.7
165.09105	0.4
167.08575	0.5
169.10074	1.1
171.11694	1.8
172.12422	1.2
173.09560	2.4
173.13269	3.4
175.11195	4.7
175.14833	0.5
177.09123	1.2
177.12820	0.5
177.16344	1.0
179.10645	0.4
182.10899	0.9
183.11659	0.5
185.09627	0.5
185.13242	1.1
187.11217	1.0
187.14815	7.3
187.16374	0.6
188.15065	0.4
189.12755	13.1
189.16385	4.7
190.13107	0.4
191.10674	1.6
191.14296	1.0
191.17953	9.5
192.18274	0.5
193.12267	0.8
197.13275	2.5
199.11111	0.5
199.14792	0.6
201.12735	1.1
201.16298	0.5
203.10689	0.6
203.14296	1.0
205.15894	1.7
209.13370	0.5
211.14783	0.5
215.14313	15.5
215.17685	0.8
216.14642	0.8
217.15831	3.3
219.13795	1.0
227.18098	0.8
229.15872	0.7
233.15361	100.0
234.15723	5.4
235.16898	1.7
241.19398	0.5
243.13805	0.6
243.17537	0.9
245.18860	0.6
247.13298	1.0
247.16917	0.9
249.18660	1.0
257.19046	0.5
259.16885	0.8
261.18472	3.3
269.19025	0.7
274.18066	0.4
275.20065	2.8
287.20090	2.9
299.19992	1.8
301.21576	2.2
313.21704	1.0
315.23059	0.5
327.23169	1.3
329.24695	0.5
353.24557	0.6
423.03400	0.4
423.32559	14.5
424.33032	2.0
429.48074	0.4
433.30856	1.0
441.33600	0.6
448.80850	0.5
451.32062	1.6
465.33740	0.7
483.34552	1.5
493.32922	1.6
511.34372	9.3
512.34656	0.8
512.50104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68905	0.7
52.58146	1.0
56.94073	0.8
56.96568	7.5
57.03451	1.0
61.02927	1.4
65.03953	4.9
68.99777	1.4
69.03414	2.4
69.48337	4.4
71.55212	0.7
81.03426	3.0
82.23608	0.7
83.04999	1.4
84.96025	2.6
85.02908	12.3
86.09696	3.0
91.03946	0.8
93.03408	3.9
96.99881	0.8
97.02892	4.1
97.06593	0.8
98.97591	19.1
109.02878	1.3
110.07168	1.0
110.97576	8.5
111.04444	27.0
116.98647	5.6
121.04000	2.6
123.79063	0.7
124.99050	0.9
127.03892	2.3
128.98653	5.9
132.10197	1.4
134.99619	1.1
139.03906	67.9
140.04135	1.4
140.98587	1.5
142.05363	0.8
143.00153	3.2
145.04965	3.6
146.99654	1.7
152.98572	0.9
158.99634	5.9
161.01224	3.0
163.03937	1.0
163.06090	0.9
170.04871	1.3
170.99661	4.6
171.06532	100.0
172.06868	2.5
177.00764	3.4
180.08707	1.1
182.99641	5.1
188.06033	1.0
189.00763	4.3
201.00719	14.2
206.07042	5.3
208.50839	0.9
213.00700	1.2
219.01779	9.9
224.08064	4.6
230.07092	2.7
231.01776	1.5
237.02803	3.2
237.07645	1.1
243.01765	5.4
248.08102	13.8
260.08011	1.0
261.02808	20.8
264.08630	0.8
266.09180	3.5
273.02823	1.7
278.09222	1.0
279.03839	11.2
290.09241	4.4
291.03867	3.0
297.09644	1.3
308.01395	0.8
320.10181	2.4
321.04904	9.2
333.05075	1.1
347.62387	0.9
350.11252	1.9
351.06012	2.0
512.16449	12.3
530.17767	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.2
55.05514	9.6
57.03430	4.2
59.47744	2.7
61.02929	2.6
67.05511	11.8
69.03420	3.5
69.07072	14.5
70.06581	3.8
70.45899	4.2
71.04992	11.2
79.05496	13.6
81.07051	38.5
83.01334	6.7
83.04990	18.4
83.08626	5.3
85.06555	6.5
86.09743	2.6
87.04459	3.6
89.67081	2.3
91.05480	13.8
91.42361	2.7
93.07053	40.8
95.04972	16.2
95.08611	31.7
97.06538	25.0
99.04438	12.7
105.07051	34.7
107.04944	2.9
107.08602	24.5
109.05891	2.8
109.06528	17.2
109.10142	6.6
110.51452	2.8
111.00824	11.1
111.08086	29.2
113.06044	4.5
115.03980	5.7
119.08607	19.9
121.06521	40.6
121.10115	3.7
123.04451	5.4
123.08060	7.0
123.11726	12.0
125.06012	18.8
127.07542	6.7
129.01863	6.1
131.08598	5.5
133.06493	5.0
133.10152	18.8
135.08009	14.6
137.06006	5.7
139.07553	19.1
142.07776	3.7
142.57434	2.1
143.03419	5.1
143.07069	14.9
145.10156	3.8
147.11690	42.7
149.13254	3.4
151.07632	3.0
151.11182	9.2
153.05484	6.6
156.09491	3.1
157.01305	4.4
157.08617	7.1
157.10146	12.5
159.06546	6.9
161.13297	7.4
163.11153	2.5
165.12790	16.0
169.12265	40.3
171.02910	10.7
171.11736	11.3
173.09618	3.3
175.11194	31.3
189.04005	7.5
189.12747	24.7
193.12236	37.7
199.11186	19.8
207.13826	10.8
209.15327	2.7
211.13329	44.2
217.12236	53.0
218.12663	4.5
229.14351	33.2
231.05009	46.4
235.13297	72.6
253.14355	100.0
254.14679	4.0
271.15433	14.3
296.09360	2.9
372.29761	2.6
405.15286	2.5
411.68207	3.1
423.16479	13.9
441.17590	26.6
459.18747	11.4
513.16901	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	512.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
54.10972	2.3
54.78715	2.5
55.01860	6.7
55.05516	23.9
57.03438	8.0
62.93957	2.3
62.94461	3.1
65.03946	8.8
65.04285	2.8
67.05507	50.2
69.02107	4.9
69.02514	22.7
69.03434	8.9
69.07069	8.1
71.04993	14.8
79.05504	44.7
81.03412	4.3
81.07063	62.6
82.07378	3.0
83.04988	8.0
85.02901	9.3
85.06557	8.7
87.00825	2.6
91.05486	100.0
92.05814	3.8
93.07051	17.0
95.04984	41.2
95.08610	7.4
97.02889	6.8
98.22543	5.1
99.08091	16.6
103.05487	11.8
105.01891	6.7
105.04544	4.5
105.07040	47.1
107.04969	3.5
107.08607	7.6
109.10094	2.9
115.05462	48.6
116.06239	5.7
117.07018	34.7
119.08585	16.1
121.06505	6.7
121.10123	5.1
127.03973	4.7
128.06233	79.3
129.07025	67.8
130.07814	4.5
131.04977	3.8
131.08569	31.6
133.06439	5.3
133.10153	9.8
137.26439	2.4
141.06999	70.7
142.07790	19.4
143.08572	41.4
145.04982	3.0
145.06514	11.7
145.10135	21.2
147.08102	4.4
152.06227	6.2
153.07007	47.5
154.07776	35.0
155.06056	11.7
155.08554	67.7
157.10132	12.4
159.08124	3.6
159.11685	5.2
165.06900	3.2
166.07732	2.6
167.08592	13.0
168.09370	5.9
169.10123	26.4
173.09653	4.3
181.10112	4.6
182.43329	2.9
183.11722	9.4
229.15932	5.3
377.69287	2.7
417.57733	3.2
469.14651	3.8
512.25201	7.7
513.13586	6.1
513.26416	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	512.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.01859	4.4
55.05502	7.0
57.03430	4.5
59.44520	1.6
61.02919	3.8
67.05495	7.2
69.03427	13.1
69.07059	7.4
70.06589	4.3
71.04980	3.2
71.16497	2.3
73.02929	2.6
79.05497	15.2
81.03409	4.4
81.07062	11.1
83.04961	2.2
85.02911	51.1
85.06535	3.9
86.09670	1.9
87.04448	1.9
91.03927	2.4
91.05479	19.1
93.07045	89.5
95.04972	5.6
95.08620	21.1
97.02888	14.2
97.06520	10.0
97.62335	1.7
99.04442	2.2
105.07038	6.8
107.08593	100.0
109.02876	6.9
109.06529	3.4
109.10152	8.1
119.08573	5.0
121.10155	3.1
123.11740	3.6
127.03889	14.5
131.08527	1.8
133.10123	2.3
135.11697	85.0
136.07556	2.2
136.11993	1.8
136.18280	1.9
145.04939	20.1
145.10085	2.3
153.12752	20.9
163.06013	8.6
164.07143	2.7
171.13792	6.3
178.08633	6.6
223.07410	2.0
247.10742	3.8
265.11902	1.9
307.12750	6.0
315.10712	2.3
328.77054	1.9
349.13913	2.5
453.15186	2.4
495.15939	20.9
512.18115	2.9
513.19562	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05512	3.3
57.07076	17.5
57.07344	0.6
58.06621	1.7
60.04495	0.5
67.05508	2.3
68.05016	0.5
69.07069	2.6
69.65054	0.6
69.65472	1.1
70.06591	14.7
71.08631	8.9
72.38490	0.3
73.02925	1.7
74.06075	0.5
79.05421	0.3
81.07061	2.7
83.08624	2.4
85.10177	3.8
87.04434	0.7
88.07631	19.5
89.06010	0.7
91.05461	0.3
93.07027	0.4
95.08608	2.7
97.10165	1.4
102.09180	14.5
103.09518	0.3
106.08643	0.8
109.10134	1.1
111.08108	0.3
121.10120	0.4
123.11688	0.4
133.08598	0.6
135.11699	0.5
136.00237	0.3
145.54630	0.3
168.60393	0.3
212.23772	0.4
228.23210	4.4
230.24744	0.4
246.24379	0.5
256.26355	45.7
257.26639	1.5
274.27368	4.3
283.26312	47.4
284.26651	2.1
311.29398	4.0
512.50378	100.0
513.50763	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58683	9.5
52.81243	8.7
53.03957	12.4
53.95528	11.3
55.05516	25.8
61.02928	17.7
67.05499	56.4
69.03438	10.9
69.07076	18.4
69.50346	30.3
69.50751	22.1
73.02917	10.8
78.77849	9.4
79.05505	63.4
81.03439	12.3
81.07060	56.6
83.08645	14.6
91.05484	52.4
93.07054	84.2
95.04971	11.2
95.08604	53.9
97.02898	15.1
97.06537	11.9
98.22755	14.8
103.19749	10.1
105.07027	69.5
107.08607	69.6
109.06537	22.7
109.10185	37.9
111.08068	10.6
117.07041	30.5
119.08597	68.2
121.10145	52.1
123.08080	11.9
123.11750	11.8
129.07011	19.7
131.08548	51.6
133.06535	9.6
133.10130	58.2
135.08078	17.0
135.11713	39.9
137.09665	11.1
143.08586	27.5
145.06512	13.0
145.10103	46.8
147.08096	12.3
147.11699	65.0
149.09540	9.2
149.13274	21.0
157.10205	25.5
159.11722	31.3
161.13284	32.2
163.11122	9.2
163.14862	10.4
169.10237	11.8
171.11723	16.2
173.13330	21.6
175.14844	16.4
183.11797	15.9
184.15903	11.2
185.13307	22.6
187.11092	10.8
211.14940	9.0
215.14217	15.3
231.20969	12.2
241.19545	34.7
259.20676	58.6
277.21686	10.1
349.24014	15.6
351.25391	96.5
385.23819	11.5
456.54922	10.1
495.30273	21.7
513.32184	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	0.9
70.31326	1.7
70.31693	1.9
81.36478	0.8
121.10128	1.2
144.61938	1.0
256.26431	1.9
269.76276	0.8
283.26346	1.4
284.26712	1.5
313.87323	0.8
451.70953	0.9
512.50159	1.6
513.34064	100.0
513.50507	3.9
514.34521	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	513.3552
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
50.69984	0.3
57.07079	0.4
58.07726	0.3
67.05497	0.6
68.37954	0.3
68.91825	0.4
69.07079	0.9
70.34644	0.8
79.05512	0.6
81.07059	1.3
85.06606	0.4
91.05500	0.8
93.07059	0.8
95.08108	0.3
95.08614	1.7
105.07065	0.8
107.08620	1.2
109.06540	0.5
109.10174	0.8
119.08589	2.0
121.10165	1.8
123.11752	0.7
129.66414	0.3
132.05592	0.4
133.10162	0.9
135.08044	0.5
135.11691	0.6
141.06990	0.4
145.06444	0.3
145.10158	1.0
147.11722	0.7
149.09615	0.4
157.10172	0.5
159.11710	0.8
161.09512	0.5
169.10222	0.5
171.11713	0.6
173.09787	0.4
173.13350	0.7
175.14912	0.4
183.11908	0.3
185.13385	0.4
189.16451	0.6
191.49904	0.3
201.16440	0.4
211.14796	0.4
223.49168	0.4
247.13016	0.8
263.16269	0.7
268.13675	0.3
273.39117	0.3
348.42236	0.3
453.30063	0.6
495.34808	0.4
513.35645	100.0
514.35999	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	513.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	20.2
57.07084	11.0
65.03951	3.9
67.05504	32.2
69.03433	5.2
69.07075	35.1
69.35273	25.8
71.04971	3.6
79.05491	23.7
81.07055	58.0
83.04985	3.9
83.08620	11.6
88.07630	3.5
90.55368	3.2
91.05474	28.4
93.07049	57.6
95.04988	6.0
95.08606	100.0
97.06530	6.9
99.08105	5.5
105.07027	54.6
106.83903	3.7
107.08594	85.0
109.06516	8.0
109.10149	76.4
111.08085	6.3
111.11694	3.7
115.05457	3.8
117.07009	8.5
119.08577	79.4
121.06518	54.2
121.10149	72.8
123.08076	18.2
123.11707	55.0
125.05998	11.8
131.08574	13.6
133.10138	67.2
135.08069	15.9
135.11696	72.0
137.09637	8.8
137.13222	7.4
139.07533	21.7
143.08537	10.0
145.10135	40.7
147.11700	38.6
149.09624	11.8
149.13237	35.4
151.11238	4.9
151.14851	5.6
156.09387	4.6
157.10138	16.0
159.08034	6.6
159.11673	26.5
161.09630	10.4
161.13257	27.4
163.11223	7.1
163.14879	8.6
169.10172	6.4
171.11685	15.3
173.09648	8.2
173.13293	15.3
175.11238	8.5
175.14818	11.3
177.09129	6.5
177.12709	4.8
177.16368	10.2
179.10709	3.9
183.11781	8.5
185.13263	8.8
187.11090	4.3
187.14830	34.9
189.12791	11.8
189.16380	70.1
191.17996	5.6
197.13255	10.5
199.11179	4.1
199.14812	9.6
201.12732	6.2
201.16449	12.7
203.14304	5.6
203.17944	15.8
205.15878	42.7
209.13268	5.8
211.14851	4.3
213.12842	6.6
213.16400	7.8
215.14284	18.1
217.15900	8.0
221.15338	4.0
227.14317	7.3
229.15918	6.1
231.13905	8.2
231.17450	7.7
233.15343	58.3
233.18839	3.9
241.15784	5.4
241.19463	4.9
245.15393	5.6
245.19051	5.6
247.16803	4.2
249.18575	17.7
253.19582	8.5
255.17451	5.4
255.20996	5.5
256.26349	6.2
271.20444	5.2
283.26361	6.5
301.21500	4.0
311.58157	3.8
313.21579	4.1
407.33197	10.9
408.33887	4.0
417.31757	5.3
427.28516	35.3
435.32779	30.0
453.33740	34.2
454.34299	4.2
495.34879	22.2
502.55487	3.8
513.35858	98.0
513.50543	11.2
514.36017	7.0
536.85492	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	514.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01880	14.9
55.05516	12.5
58.99587	5.8
61.02921	8.6
62.49343	4.7
67.05511	12.3
69.03425	20.3
71.05009	30.9
71.30392	8.7
79.05499	10.9
81.03431	10.4
81.07045	17.0
83.01344	12.3
85.01126	5.8
85.02914	25.5
85.06532	6.0
86.09725	5.6
91.05476	28.3
93.07079	8.6
95.04990	7.2
95.08617	12.0
97.02892	9.4
105.07044	19.5
107.08601	14.0
109.10206	8.4
115.05469	33.8
117.07032	21.0
119.05007	5.5
119.08593	8.3
121.10179	5.7
123.02570	7.0
127.03912	10.9
128.06236	23.5
129.07031	24.6
131.04807	5.3
131.08583	10.1
133.10089	9.1
135.08035	6.7
138.98483	5.5
141.00078	7.4
141.06992	42.1
142.07813	15.2
143.08577	11.2
145.06496	9.4
147.02614	10.5
152.06148	14.4
153.07002	23.1
154.07755	25.2
155.08635	14.0
157.06517	12.3
158.00037	5.4
159.00549	20.5
159.02621	7.6
159.08052	5.9
159.11751	7.0
160.03412	6.0
161.04196	8.5
165.07011	14.9
167.08594	24.4
168.09470	11.4
169.06485	27.7
169.10127	19.3
170.07272	8.0
171.02635	6.8
171.08078	6.7
173.04243	17.1
173.05968	8.2
173.09660	8.5
178.07669	5.9
179.08578	14.4
181.06531	10.9
183.08034	8.7
184.03474	12.7
184.99136	6.4
185.04196	15.9
185.09702	9.5
187.02103	9.4
187.05843	6.5
189.03725	9.0
197.04198	11.3
197.09633	58.1
198.10414	17.1
199.05783	8.7
201.03726	14.4
202.04356	7.7
205.03331	6.1
214.18056	11.0
215.05170	6.2
215.10837	5.3
229.06863	18.2
230.07570	14.9
271.06049	12.5
289.09140	5.9
317.08469	39.4
321.06061	7.0
335.09753	6.5
363.06830	23.0
407.00812	8.1
407.05914	100.0
471.20255	8.3
515.12036	46.1
515.19104	12.3
537.36682	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	514.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01871	32.0
57.03434	5.1
61.02924	4.4
67.05511	4.2
68.99792	3.3
69.03429	27.0
70.06585	3.1
71.05003	5.8
72.66115	1.9
73.02924	4.3
79.05496	2.4
81.03419	21.2
81.07041	2.4
83.04966	3.2
85.02908	76.2
87.00830	31.6
91.05459	5.1
93.07087	4.1
95.04969	3.8
97.02885	31.0
99.04469	9.7
99.08096	6.3
100.00198	2.4
105.01868	52.4
105.07042	5.3
109.02869	24.5
111.08080	100.0
115.05467	2.9
117.01846	2.8
117.06982	3.0
119.08580	2.4
123.00822	3.3
127.03913	52.6
127.04781	4.1
128.89578	2.2
129.07065	4.6
131.08546	2.7
133.02888	2.2
143.08621	2.6
145.04971	23.5
151.03894	10.8
155.08604	3.4
159.02946	10.2
159.08073	4.2
231.04935	12.3
231.10222	8.4
248.23804	5.9
309.32574	2.3
365.33755	2.2
389.33081	2.3
472.31696	7.2
483.80893	13.4
484.30740	4.8
514.24170	3.4
515.18256	7.5
515.27979	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
55.01867	12.2
55.05497	5.7
57.03429	7.0
61.02917	6.6
67.05492	8.8
68.99785	6.4
69.03429	37.2
69.07062	14.9
69.25672	26.4
70.06602	8.0
71.04983	6.1
73.02901	10.4
78.01179	3.6
79.05486	13.7
81.03402	22.7
81.07064	24.6
83.04996	7.4
84.08142	9.8
85.02905	100.0
85.06548	9.5
86.09722	6.6
87.00832	39.5
91.05474	9.3
93.07043	17.3
95.04942	5.1
95.08603	19.3
97.02897	41.1
97.06519	9.5
98.97601	5.6
99.04469	15.6
99.08073	7.8
99.56478	3.8
101.02426	3.8
105.01864	63.2
105.07059	8.4
107.04954	7.2
107.08611	11.3
109.02875	27.1
109.06533	8.3
111.08091	20.8
117.07056	3.9
119.08553	8.9
121.06521	7.5
121.10065	3.6
123.08025	4.6
125.06019	4.6
127.03909	55.0
129.01836	4.6
131.08542	8.2
135.08080	5.6
135.11649	3.8
136.07558	4.6
137.13274	5.2
139.91435	3.3
145.04965	29.9
147.08049	7.5
149.09598	8.9
151.07570	5.1
153.09129	23.8
155.14331	5.0
159.02902	13.5
159.07980	5.2
164.07098	4.8
165.09068	9.4
173.15334	5.1
177.09125	28.7
189.03905	6.6
191.14220	4.1
195.10159	46.3
218.06433	3.4
221.04871	4.2
221.11775	4.6
231.04990	20.6
237.02769	7.8
249.06058	13.9
281.10144	8.6
299.11221	10.6
299.14691	5.6
323.08035	6.1
328.61127	3.8
406.65591	3.6
427.15738	13.6
455.11890	19.3
470.20923	5.3
497.16492	7.8
514.20020	20.4
515.17084	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	514.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56956	0.8
53.03942	1.9
55.05513	11.6
62.26834	0.6
65.03935	1.2
67.05505	2.0
69.03432	1.4
69.07066	0.8
69.24093	4.9
71.05000	1.4
79.05495	4.9
81.03448	0.8
81.07066	1.1
83.04986	100.0
84.05322	1.3
85.02912	2.2
91.05485	10.5
93.07058	2.1
95.04991	4.2
95.08616	1.7
98.22615	1.6
101.06044	0.8
102.21709	0.7
103.05478	1.4
105.07032	3.6
107.08626	0.9
109.02859	1.1
115.05470	8.4
117.07036	7.4
119.08597	1.6
127.03942	1.4
128.06236	8.3
129.07025	14.9
129.07895	1.4
130.07828	0.8
131.08572	2.1
133.10179	0.7
135.08099	0.9
135.57777	0.7
141.06984	9.1
142.07780	6.3
143.08522	4.6
145.06511	2.3
147.08084	0.9
152.06256	1.1
153.07011	3.8
154.07750	1.1
155.06088	1.5
155.08566	4.8
156.09392	4.0
157.10114	5.4
158.07285	1.6
165.07002	6.3
166.07838	3.9
169.06464	1.6
169.39873	0.8
171.08076	2.5
181.10132	1.9
184.08890	1.3
199.11183	7.3
217.12289	2.6
299.16440	23.3
300.16873	1.4
317.17505	1.4
369.09973	0.7
496.21326	1.5
515.18207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.7
55.05499	3.5
57.03432	10.2
59.04986	6.5
61.02919	9.3
67.05496	3.7
69.03436	34.5
69.55421	7.3
69.55807	5.1
71.04991	7.0
73.02925	33.2
75.14693	2.7
79.05496	7.5
81.03415	4.7
81.07079	3.3
83.05006	3.7
84.08156	10.1
85.02913	41.1
85.06554	4.7
91.05470	15.6
93.03414	3.7
93.07066	6.2
95.08627	3.7
97.02905	30.0
98.23373	3.0
105.07056	10.5
107.04966	3.5
109.02889	5.1
110.16403	2.7
112.07615	100.0
112.20650	2.5
115.03944	10.4
115.05497	4.5
119.08587	6.1
121.06512	13.8
127.03941	9.0
128.06264	7.0
129.07014	8.6
130.07768	3.5
130.08672	3.9
131.08562	6.9
133.04971	11.6
133.06497	3.5
140.10248	2.8
142.07848	4.5
143.08562	11.5
145.04961	9.0
145.10197	4.2
149.02353	15.7
150.07603	3.7
155.08534	3.4
157.10173	5.9
159.08084	3.4
163.06081	5.2
171.08028	2.6
177.05452	7.1
193.04987	18.8
198.94725	2.4
206.77562	2.6
241.07094	4.1
259.87640	3.2
287.16522	3.2
385.09286	4.9
425.79813	2.7
452.13553	6.8
452.83362	3.2
496.15765	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12619	1.8
56.96568	43.2
70.06575	1.6
71.28897	2.6
71.95273	2.5
76.83217	1.6
84.96048	15.1
87.04501	1.8
87.56425	1.8
88.71293	1.5
97.02883	2.4
98.97586	100.0
100.99142	20.9
110.97576	44.5
110.98293	1.6
112.99155	4.4
116.98626	27.8
119.00205	5.2
119.01994	2.2
124.99121	3.0
126.97088	6.3
128.98604	42.7
131.00209	6.2
134.99689	4.8
138.80527	1.6
140.00238	2.3
140.98595	14.3
143.00163	14.7
143.01865	3.9
144.98108	9.9
145.01718	2.6
145.03452	3.1
146.99661	19.9
149.01256	6.6
152.98586	11.1
154.96559	4.7
155.00157	1.7
158.99661	35.7
161.01253	17.0
161.02902	3.5
162.99167	7.0
165.00784	7.4
170.99648	34.6
171.01012	3.0
171.05023	2.0
172.97559	25.0
173.01387	4.1
173.02945	3.6
177.00726	20.1
179.02336	1.8
182.99651	20.3
185.02933	2.5
187.02820	1.7
189.00728	32.7
189.02280	1.6
190.98624	50.5
191.02242	2.9
191.03943	3.6
198.56702	1.8
201.00702	57.6
201.02481	3.7
203.02264	2.3
203.03984	2.3
207.01767	3.3
208.99695	48.6
213.00735	4.4
214.98657	20.7
215.04071	2.3
219.01772	63.0
220.02100	2.4
227.00623	3.9
231.01768	4.6
231.24786	1.8
232.97340	2.4
232.99692	50.8
237.02826	32.3
237.05032	3.2
243.01749	17.6
244.99969	3.6
245.05145	7.0
247.04874	4.0
251.00763	27.8
255.04053	2.8
261.02826	61.6
261.05447	3.5
263.00803	15.0
263.04086	1.8
273.02872	11.5
275.00937	1.9
275.05902	2.2
279.03894	31.9
281.01779	2.6
291.03934	13.6
293.01849	11.7
293.05234	3.3
303.03784	2.0
309.04916	2.0
311.06354	2.7
317.01834	19.3
321.04910	26.1
323.06528	2.2
323.10092	2.5
333.04868	4.8
335.02884	30.2
335.06546	2.3
336.03336	2.3
351.06046	9.8
353.03833	32.9
353.07611	5.5
381.07095	17.4
395.04648	2.5
399.08081	18.1
455.10617	5.5
479.07803	2.3
497.08200	7.2
515.02985	3.6
515.09515	40.7
515.13715	18.2
516.09778	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	515.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
64.47561	0.5
67.05473	0.6
69.03394	0.9
69.07015	0.7
69.10554	4.6
71.04971	1.1
81.03377	0.9
81.07004	1.1
82.52768	0.5
85.02849	1.8
85.06522	0.9
91.05497	2.9
93.06993	1.4
95.08549	1.4
97.02871	1.1
99.04417	0.8
105.06982	1.3
107.08551	0.6
109.10122	0.8
113.00552	0.5
114.07771	0.5
115.05395	0.7
119.08537	1.4
121.06499	0.6
121.10115	0.8
127.03950	0.7
128.06184	0.7
129.06976	1.0
133.10039	0.8
141.06989	1.1
143.08531	0.7
146.06668	0.6
152.06213	1.0
153.06903	1.0
157.10109	0.7
157.99707	2.1
159.00552	16.4
159.11687	0.6
168.09102	0.7
180.08852	0.8
182.06984	0.5
185.04153	2.1
197.09573	0.9
198.10013	1.2
200.06439	0.6
201.01450	0.7
203.10614	0.5
225.48866	0.5
227.05339	2.5
267.06287	1.5
271.04007	3.0
273.08762	0.5
303.04776	0.6
318.08792	1.0
321.05841	7.5
363.06876	23.3
364.07193	0.9
364.12326	0.5
389.04718	1.1
407.05865	100.0
408.06219	5.8
408.56647	0.5
425.07019	0.7
429.11584	0.9
471.12823	4.9
515.11646	36.6
515.28912	1.6
516.12189	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1741
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
55.05501	0.4
67.05513	0.5
69.03426	0.6
69.07059	0.4
69.09570	0.3
69.18576	2.2
71.04981	0.3
71.08645	0.5
79.05491	0.7
81.03417	0.7
81.07060	0.9
83.04980	0.9
85.02884	1.2
91.05487	0.8
93.07051	0.9
95.04982	0.4
95.08598	0.7
98.23417	0.4
99.08092	1.1
100.08430	0.5
105.07039	0.6
107.08624	0.7
109.02872	0.7
111.00603	0.9
111.08083	0.4
116.02882	0.3
119.08553	0.7
120.71524	0.4
121.10131	0.6
123.11665	0.3
127.03902	0.9
129.07103	0.3
133.06438	0.4
133.10133	0.4
145.10149	0.4
147.11665	0.6
161.09572	0.3
169.10123	0.4
173.13258	0.5
173.15411	0.5
175.11209	0.3
187.14893	0.4
192.07820	0.4
195.06285	4.7
221.11496	5.8
221.42867	0.3
247.13052	1.8
249.11038	2.3
263.12570	1.5
267.15689	0.6
289.14066	0.6
291.12146	0.7
293.13565	0.9
309.13080	17.1
310.13339	0.5
321.13297	0.3
336.16110	0.3
339.14090	0.4
347.14621	0.6
349.12582	0.4
351.14136	4.5
352.14645	0.3
365.15634	0.5
367.13666	1.9
375.14163	0.7
381.15152	3.1
393.15359	0.7
395.13031	0.5
409.14609	4.0
427.15756	5.6
428.15942	0.4
429.21024	0.6
435.16318	3.1
437.14084	3.0
453.17230	1.3
455.15244	4.4
471.17703	0.5
471.22153	0.9
497.16272	21.5
498.16470	1.1
515.17273	100.0
516.17706	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	515.1737
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
69.03406	0.7
70.06593	2.5
71.04958	0.6
71.30595	0.8
84.08100	1.0
84.66921	0.5
85.02878	0.8
86.09676	0.8
97.02869	0.6
98.97560	0.6
105.27114	0.5
109.32581	0.4
110.07090	0.5
115.24020	0.5
137.05887	0.8
147.04407	3.0
159.04128	0.6
172.04901	0.6
185.04126	0.5
212.40862	0.5
232.86346	0.5
253.09164	0.5
258.56107	0.5
267.15829	0.7
318.09369	0.6
353.12045	13.0
354.12186	1.1
429.20511	0.9
471.16501	0.5
471.22052	5.2
497.19974	0.8
515.16913	100.0
516.17407	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	515.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.13308	0.3
56.75686	0.3
57.46564	0.3
63.49716	0.4
67.05516	0.4
67.41799	0.4
68.29162	0.3
69.03436	0.7
69.07075	0.7
70.06612	1.8
71.05009	1.0
71.31470	0.5
72.08160	1.4
79.05476	0.5
81.07054	1.7
85.02921	1.8
85.06543	0.7
86.09702	1.1
91.05464	0.5
95.05029	0.4
95.08629	1.2
97.02911	0.7
98.97575	0.6
99.04449	0.6
107.08596	0.6
109.02882	0.6
109.06546	0.4
119.04982	0.5
131.08594	0.6
136.06201	5.2
137.06635	0.6
147.04413	2.3
148.06216	1.1
155.14305	1.6
173.15331	0.8
185.04289	0.6
185.08241	0.4
191.16489	0.6
196.68622	0.4
202.10889	0.6
203.11194	0.4
204.12502	0.6
204.64389	0.3
220.12032	0.9
221.12306	0.8
222.13484	6.1
227.05307	0.8
240.03143	0.6
245.06325	0.6
249.14879	0.5
267.15756	1.9
271.04260	1.3
275.00189	0.4
289.05322	1.8
291.14218	1.0
309.15439	0.7
323.05551	0.8
336.11795	0.7
368.89117	0.4
369.47122	0.4
382.17084	0.5
383.17484	2.0
384.18811	3.1
411.19894	0.6
429.20892	3.3
453.20816	1.3
455.12466	0.9
471.21988	17.3
472.22415	1.3
497.19702	1.6
515.21014	100.0
516.21521	8.0
516.30554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01870	1.7
55.05508	3.5
55.75475	1.0
57.03440	4.9
61.02925	1.7
65.03922	1.0
67.05496	3.7
69.03432	33.6
69.07071	2.7
70.06584	2.1
71.01348	1.3
71.04987	3.7
71.30634	1.2
71.88449	0.8
72.08152	6.0
73.02907	1.9
79.05499	3.7
79.14182	0.7
81.03417	11.7
81.07041	4.7
83.04993	8.7
83.08627	2.5
84.08138	1.4
85.02908	83.9
85.06549	1.4
86.03242	1.3
86.09694	3.0
87.04442	2.4
91.05482	3.3
91.62813	0.9
93.07041	3.2
95.04987	2.6
95.08620	5.9
97.02898	19.3
97.06541	1.3
98.03181	0.9
99.04442	4.7
101.02367	1.1
101.95126	1.1
105.07024	4.3
107.08595	14.6
109.02870	5.9
109.06534	6.4
109.10155	1.9
111.04437	1.9
111.08103	4.7
115.03926	1.3
117.07091	1.1
119.08591	3.8
121.06533	1.4
121.10141	9.8
123.04375	0.9
123.08076	3.8
123.11667	1.2
125.09621	7.1
127.03924	19.5
131.08585	5.9
133.10101	6.6
135.08040	11.7
135.11674	4.6
137.09566	1.1
143.08549	1.7
145.04973	7.9
145.10141	3.0
147.04398	1.2
147.11700	3.5
149.09634	7.6
149.13263	4.5
150.10327	2.7
151.11095	1.2
153.09117	2.1
155.14337	1.7
158.10913	4.4
159.08041	1.1
163.03915	2.9
163.11195	3.5
163.14835	3.2
165.12747	2.5
171.14915	1.6
173.09689	1.0
173.13264	21.8
174.13588	1.6
187.11111	1.1
189.12949	1.0
191.14310	100.0
192.14664	3.5
199.14485	1.2
209.15373	59.1
210.15729	3.5
211.05890	1.1
221.15543	1.1
223.06027	3.7
233.15317	1.3
241.07169	1.5
249.14702	1.2
261.11127	0.9
267.15735	1.3
289.05344	2.0
295.05881	1.0
323.05521	1.0
332.66943	0.9
335.18466	3.2
353.19562	16.7
388.74484	0.9
429.20990	7.2
435.19629	1.0
453.20850	3.7
453.27191	0.7
471.21976	20.0
472.22235	1.1
483.11197	1.1
497.18872	3.0
497.23691	5.1
515.21002	39.0
516.20752	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	515.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.05513	8.5
57.07073	2.4
65.03945	2.5
67.05514	9.8
67.79945	1.5
69.03442	4.0
69.07070	8.0
70.06578	2.9
72.08183	1.9
77.03947	1.1
79.05494	18.1
81.07056	19.0
83.04977	3.2
83.08617	4.5
84.08186	1.5
85.02905	1.5
86.09724	6.5
86.25851	1.6
91.05485	22.3
93.07039	18.2
95.04999	4.4
95.08609	25.7
97.06522	1.4
103.05470	2.7
105.07034	42.3
107.04943	2.7
107.08599	28.5
109.06528	4.6
109.10158	12.5
110.07147	1.6
111.08073	1.8
115.05446	4.0
116.06274	1.8
117.07027	18.5
118.07376	1.4
119.04918	2.0
119.08585	51.8
120.08887	1.8
121.06520	3.8
121.10149	15.3
123.08080	4.2
123.11752	3.8
125.06018	2.2
127.03954	3.9
128.06207	7.6
129.07005	14.7
130.07823	3.4
131.08569	36.7
132.86964	1.4
133.06511	5.2
133.10135	30.7
135.08038	7.9
135.11679	6.5
137.05978	3.3
137.09599	3.8
141.07014	5.8
142.07808	11.7
143.08569	32.1
144.09273	2.4
145.06490	2.9
145.10135	59.6
146.10539	1.7
147.04433	3.2
147.08063	5.9
147.11671	13.3
149.05980	3.5
149.09645	3.8
149.13289	3.0
151.07571	5.2
153.07037	2.0
154.07837	2.7
155.08575	12.5
156.09334	17.3
157.10130	38.7
158.10907	3.8
159.08080	5.0
159.11694	34.2
160.12119	2.0
161.05992	3.5
161.09619	10.7
161.13235	13.6
163.07553	4.7
163.11142	3.3
163.14874	3.7
167.08617	4.7
168.09370	4.9
169.10141	20.7
170.10919	20.8
171.11690	36.7
172.08942	1.7
172.12140	2.6
173.09669	6.5
173.13266	27.1
175.07533	3.1
175.11249	6.1
175.14812	7.0
177.09154	3.5
177.12810	5.2
177.16428	2.3
179.10747	2.5
180.09442	2.4
181.08696	2.2
181.10075	7.6
182.10918	4.1
183.11691	64.9
184.12344	1.6
185.09689	4.6
185.13260	100.0
186.10410	1.6
186.13702	4.4
187.07529	2.2
187.11287	6.9
187.14825	49.2
188.15202	3.3
189.09125	2.7
189.12766	9.8
189.16460	3.3
191.14339	3.3
193.10240	3.4
193.12210	1.9
194.10941	2.1
195.11742	6.0
196.12596	2.5
197.13254	19.2
198.13611	1.7
199.11171	5.1
199.14822	27.3
201.09090	1.6
201.12749	14.2
201.16399	10.1
203.10721	2.3
203.14320	19.6
205.12294	3.0
207.11816	3.1
209.13231	7.8
211.11258	1.7
211.14844	16.3
212.15446	1.8
213.12775	4.4
213.16397	9.7
215.10664	1.6
215.14337	6.3
215.18002	2.2
217.12320	3.7
217.15903	3.8
219.13797	2.3
221.13309	3.2
223.14790	6.6
225.12938	2.7
225.16344	9.2
227.14299	4.4
227.18028	4.8
229.12291	2.8
229.15947	5.6
231.13844	5.4
233.15326	1.8
235.14943	2.7
237.16423	3.9
239.18011	7.5
243.13857	4.0
245.15399	3.8
247.14987	1.6
251.17944	3.5
253.19534	2.0
257.15323	2.3
263.18198	2.5
265.19629	2.5
267.21039	2.8
273.14853	2.6
273.18683	1.8
275.16696	1.8
277.19595	1.9
279.21243	2.1
305.18906	2.1
305.22559	1.6
307.24368	3.2
359.27335	1.9
371.27328	3.2
387.26819	6.3
389.28357	4.4
399.26666	1.8
401.17157	1.7
403.26254	3.2
405.27765	4.8
415.26431	7.6
417.28085	4.0
421.27386	3.1
423.25259	1.8
431.25848	5.7
433.27402	17.4
435.28864	6.3
443.25760	2.5
449.26901	15.4
450.27438	2.1
451.28494	18.6
453.29980	20.3
461.27023	7.8
462.27133	1.5
467.27997	41.3
468.28299	3.3
469.29565	3.9
471.18005	3.8
479.27972	11.0
485.29123	3.1
497.28983	23.8
498.28851	2.7
515.17755	4.9
515.29901	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	515.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01871	2.8
55.05517	7.3
65.03931	1.9
67.05511	21.3
69.03428	8.3
69.07076	8.6
69.07517	11.3
71.04990	3.6
79.05508	9.7
81.03439	6.3
81.07061	19.4
83.04971	4.1
83.08633	1.5
85.02913	8.6
85.06552	1.5
85.56609	1.2
87.00857	3.3
87.01344	1.5
88.86572	1.1
91.05488	12.7
93.07063	20.2
93.53281	1.1
95.04983	3.5
95.08613	100.0
96.08981	2.1
97.02909	4.1
97.06544	3.0
99.04411	1.7
99.06225	1.3
101.11452	1.3
103.05464	1.2
105.01869	3.5
105.07046	23.0
107.04961	1.8
107.08602	22.7
109.02868	2.9
109.06546	4.2
109.10170	14.7
111.08073	4.0
113.02385	1.6
115.05430	2.2
117.07047	7.1
119.04947	1.4
119.08590	27.1
121.06520	11.4
121.10146	11.8
123.08099	3.9
123.11686	2.3
125.06001	2.0
125.09655	2.1
127.03938	8.5
128.06245	2.5
129.07025	4.8
131.08566	14.5
133.06500	3.4
133.10144	14.7
135.08054	7.1
135.11705	5.5
137.05951	2.1
137.09615	18.0
137.13213	1.3
139.07401	1.3
141.07034	2.6
142.07845	3.3
143.08534	9.6
145.06464	2.2
145.10127	18.4
147.08057	19.1
147.11710	9.8
149.09642	3.0
149.13306	4.8
151.07564	2.5
151.11156	2.1
153.06975	2.3
155.08566	2.5
156.09380	2.3
157.10123	13.8
159.08115	6.9
159.11722	11.1
161.09612	9.8
161.13287	5.0
163.14827	2.6
168.09346	1.4
169.10138	4.4
170.10962	1.5
171.08072	4.0
171.11684	7.7
173.09680	4.4
173.13208	10.4
175.07626	1.5
175.11201	4.7
175.14832	4.3
177.05521	1.6
177.09212	1.6
177.12767	2.4
179.08464	1.6
179.14380	1.5
180.09430	1.6
181.10152	2.0
183.11685	5.2
185.09555	1.9
185.13284	7.1
187.07698	1.6
187.11211	4.6
187.14848	7.7
189.12730	8.5
189.16360	2.7
191.14378	7.5
195.11726	1.7
197.13286	3.9
199.11209	3.1
199.14841	6.0
201.12743	5.2
201.16447	3.7
203.14323	72.6
204.14552	1.8
205.12195	1.8
205.15822	5.2
207.11732	2.6
209.13246	2.1
211.11140	1.9
211.14886	2.5
213.12778	4.2
213.16432	2.9
215.14354	10.0
217.12221	3.2
217.15910	11.3
223.14894	1.9
227.14342	3.4
229.12410	1.8
229.15909	10.1
231.13892	3.0
231.17404	2.3
233.15450	1.8
237.16469	2.3
241.15984	2.4
243.17406	2.2
245.15367	1.6
253.15781	1.8
255.17447	3.7
257.18970	2.5
267.19669	1.5
283.16870	1.7
283.20474	1.6
301.18030	4.0
323.23636	3.1
325.25217	2.4
335.31345	1.9
357.20679	2.7
369.23950	1.8
377.28638	2.1
389.28586	6.7
395.25714	2.2
403.26202	1.6
405.27902	5.0
407.29453	7.1
409.31015	14.9
417.27872	2.6
421.27374	7.7
423.28955	37.6
424.29205	2.3
433.27435	4.4
435.29028	6.1
441.30191	2.1
449.26520	2.3
451.28461	21.3
453.29984	41.6
454.30408	3.2
461.26340	1.7
467.27875	7.4
471.25854	2.8
471.31332	13.7
497.28922	6.0
515.19543	13.0
515.29547	3.6
515.37598	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	515.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03948	2.4
55.01864	1.0
55.05515	6.3
57.07075	0.9
58.93660	0.8
64.62074	0.7
65.03960	1.4
67.05509	19.8
69.03437	4.4
69.07072	7.5
71.05008	1.2
77.03945	0.9
79.05493	9.1
81.03424	3.9
81.03848	0.9
81.07061	15.7
81.45670	0.8
83.04994	2.5
83.08621	2.8
85.02916	3.3
85.06532	0.9
87.00790	1.0
91.05485	11.8
93.07054	17.6
95.04971	3.6
95.08611	100.0
96.08934	1.0
97.02911	2.1
97.06533	2.3
97.10184	1.4
103.05471	1.4
105.07026	20.0
107.05002	1.6
107.08598	22.1
109.02870	1.0
109.06535	3.4
109.10154	16.2
111.04424	1.0
111.08073	2.3
111.11737	0.9
115.05503	1.2
117.07027	5.4
119.08585	27.0
121.06503	11.4
121.10153	10.2
123.08051	4.4
123.11717	3.1
125.06009	1.3
125.09675	1.0
127.03925	3.1
128.06248	2.6
129.06970	4.9
129.69023	0.8
130.70314	0.9
131.08577	13.8
133.06558	4.3
133.10143	14.9
134.10530	0.9
135.08046	7.0
135.11687	4.7
137.05960	2.0
137.09615	21.0
137.13271	1.1
141.06984	2.1
142.07788	3.6
143.08578	9.4
144.09309	1.4
145.06523	2.1
145.10130	15.6
147.08049	14.4
147.11684	8.0
149.06015	1.8
149.09625	2.8
149.13245	4.3
151.07547	1.8
151.11209	1.7
155.08601	3.0
156.09348	2.4
157.10132	13.3
159.08067	6.7
159.11707	10.4
161.09607	10.2
161.13271	5.2
163.07549	1.6
163.11223	1.8
163.14824	1.8
167.08630	1.0
168.09384	1.2
169.10228	4.1
170.10898	2.0
171.08049	2.9
171.11676	11.6
173.09563	5.4
173.13254	9.3
174.10202	1.1
175.11163	4.1
175.14854	3.8
177.09122	1.2
177.12819	2.8
177.16386	1.4
179.14273	1.5
181.10129	2.2
182.10875	1.7
182.17381	1.0
183.11655	5.2
185.09665	2.1
185.13252	6.4
187.11230	3.7
187.14804	6.3
189.12738	9.7
189.16415	3.0
191.10741	1.6
191.14278	10.1
193.10147	1.3
193.12198	1.2
195.11726	2.5
197.13254	5.3
199.11237	2.4
199.14876	5.6
201.12737	5.3
201.16414	3.6
203.14328	76.3
204.14708	2.9
205.15898	3.2
207.11775	1.0
209.13268	2.9
211.11201	1.9
211.14893	2.4
213.12746	2.7
213.16405	2.4
215.14343	8.7
216.50040	1.0
217.12381	1.5
217.15875	9.8
219.13768	1.0
219.17366	1.2
221.13055	1.2
223.11235	0.9
225.12662	1.6
225.16365	1.2
227.14328	3.5
227.18004	1.4
229.12201	1.1
229.15880	11.3
231.13849	2.6
231.17455	2.6
237.16454	2.7
239.14253	1.1
241.15892	2.3
243.13748	1.1
243.17473	3.6
245.15404	2.1
247.15045	0.9
249.14851	1.0
253.15909	1.5
253.19576	1.8
255.17340	4.5
257.19064	2.2
267.15506	1.3
269.18976	1.8
271.17184	1.0
271.20630	1.2
277.19760	0.9
281.18991	1.9
283.16949	2.7
283.20569	1.8
293.19043	1.3
295.20593	1.1
300.28375	0.8
301.18039	2.6
323.23749	3.3
325.25302	1.8
348.00824	0.9
357.20685	1.5
377.28485	1.2
387.26895	1.8
389.28275	6.4
395.25668	1.4
397.27518	2.1
403.26245	2.2
405.27875	5.7
407.29587	8.4
408.30103	0.9
409.31009	14.6
410.31552	1.1
416.26202	0.9
417.27719	1.8
421.27322	6.9
423.28983	36.8
424.29248	2.8
433.27325	3.9
435.29041	6.4
436.29379	1.1
441.30139	3.0
449.26559	2.2
451.28448	20.8
452.28741	1.9
453.30014	47.6
454.30411	2.4
467.28046	9.7
469.29422	1.1
471.21341	7.4
471.31186	17.7
479.27655	2.3
497.29376	5.5
515.20953	25.2
515.29150	4.4
516.21198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44377	0.9
53.03940	3.0
55.01852	1.4
55.05508	5.9
57.07076	1.7
59.05006	6.7
67.05173	1.6
67.05506	19.7
69.03427	4.1
69.07075	4.7
71.04997	1.4
71.31308	1.6
78.42040	1.1
79.05497	9.5
81.03441	2.1
81.07062	13.3
83.04971	2.6
83.08602	1.5
85.02888	2.9
85.06522	1.0
91.05470	12.9
93.07043	17.2
95.04979	2.0
95.08609	100.0
96.08939	2.1
97.02896	1.7
97.06528	2.3
103.05454	0.9
105.07034	19.3
105.07735	1.2
107.08596	19.3
109.02856	1.3
109.06509	3.3
109.10162	14.4
111.04434	0.9
111.08108	1.7
113.02306	1.5
115.05475	0.9
115.11237	1.0
117.07009	5.8
119.08584	26.6
121.06512	10.1
121.10154	8.1
123.08099	3.5
123.11722	2.0
125.05972	1.5
126.89052	0.9
127.03919	2.8
128.06224	2.1
129.06976	4.4
131.08580	12.7
133.06479	3.1
133.10130	16.6
135.08066	5.7
135.11679	5.3
137.06003	2.1
137.09612	18.2
141.06963	1.8
142.07817	2.3
142.88174	0.9
143.08566	10.9
144.09232	1.6
145.06493	2.8
145.10120	17.2
146.88971	0.9
147.08049	19.1
147.11699	7.7
148.11955	1.0
149.09566	3.2
149.13243	3.5
151.07571	1.7
151.11140	1.1
155.08542	3.8
156.09331	4.3
157.10133	14.1
158.10838	1.1
159.08081	6.0
159.11682	10.1
161.09650	11.2
161.13272	5.3
163.14871	1.7
165.07004	1.2
165.09131	1.0
167.08611	1.3
167.14185	0.9
168.09277	1.5
169.10110	4.9
170.10922	2.6
171.07997	2.8
171.11714	9.6
172.12457	0.9
173.09636	3.9
173.13283	9.6
175.11177	3.8
175.14844	3.6
177.12773	2.7
179.08553	1.5
179.14429	1.2
181.10118	1.6
182.11047	1.4
183.11696	5.5
185.09573	2.5
185.13275	6.2
187.11188	5.3
187.14777	6.7
188.11977	1.4
189.09164	1.5
189.12755	9.8
189.16441	2.7
191.14316	9.7
193.10201	1.4
195.11594	2.3
197.13390	4.8
199.11174	3.2
199.14845	6.6
201.12686	4.7
201.16389	2.1
203.14320	74.7
204.14651	2.9
205.12305	1.3
205.15828	6.1
209.13264	1.6
211.11198	2.1
211.14751	1.9
213.12683	2.9
213.16330	3.2
215.14322	9.5
217.12271	1.8
217.15909	12.3
219.17503	1.0
221.52861	1.0
223.14574	1.2
225.12717	2.2
225.16425	1.7
227.14276	3.9
227.17883	1.5
229.12315	1.3
229.15868	10.4
231.13795	2.8
231.17464	3.0
237.16313	2.2
239.17947	1.8
241.15840	4.0
243.13727	2.2
243.17468	2.5
245.15343	3.0
250.21014	1.0
253.15829	2.7
253.19098	0.9
255.17349	5.4
257.19080	2.6
269.19034	1.7
281.18719	1.4
283.17242	1.1
283.20602	1.8
301.17978	3.1
323.23685	3.1
325.25235	2.8
351.23001	1.2
357.20419	2.0
389.28387	6.2
395.25665	1.9
397.27417	2.0
403.26117	3.2
405.27863	6.4
407.29480	8.5
409.30988	16.0
410.31281	1.3
415.26166	1.3
417.27820	2.4
421.27252	7.3
423.28992	40.1
424.29263	3.7
433.27289	2.8
435.28900	5.7
441.29984	2.6
449.26587	2.4
451.28366	20.2
452.28772	1.3
453.30023	45.4
454.30225	3.1
467.27954	9.4
471.25330	1.8
471.31143	17.7
472.31519	1.2
479.28165	1.7
497.15298	0.9
497.28854	4.1
515.17444	1.8
515.29578	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	515.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01871	2.8
55.05517	7.3
65.03931	1.9
67.05511	21.3
69.03428	8.3
69.07076	8.6
69.07517	11.3
71.04990	3.6
79.05508	9.7
81.03439	6.3
81.07061	19.4
83.04971	4.1
83.08633	1.5
85.02913	8.6
85.06552	1.5
85.56609	1.2
87.00857	3.3
87.01344	1.5
88.86572	1.1
91.05488	12.7
93.07063	20.2
93.53281	1.1
95.04983	3.5
95.08613	100.0
96.08981	2.1
97.02909	4.1
97.06544	3.0
99.04411	1.7
99.06225	1.3
101.11452	1.3
103.05464	1.2
105.01869	3.5
105.07046	23.0
107.04961	1.8
107.08602	22.7
109.02868	2.9
109.06546	4.2
109.10170	14.7
111.08073	4.0
113.02385	1.6
115.05430	2.2
117.07047	7.1
119.04947	1.4
119.08590	27.1
121.06520	11.4
121.10146	11.8
123.08099	3.9
123.11686	2.3
125.06001	2.0
125.09655	2.1
127.03938	8.5
128.06245	2.5
129.07025	4.8
131.08566	14.5
133.06500	3.4
133.10144	14.7
135.08054	7.1
135.11705	5.5
137.05951	2.1
137.09615	18.0
137.13213	1.3
139.07401	1.3
141.07034	2.6
142.07845	3.3
143.08534	9.6
145.06464	2.2
145.10127	18.4
147.08057	19.1
147.11710	9.8
149.09642	3.0
149.13306	4.8
151.07564	2.5
151.11156	2.1
153.06975	2.3
155.08566	2.5
156.09380	2.3
157.10123	13.8
159.08115	6.9
159.11722	11.1
161.09612	9.8
161.13287	5.0
163.14827	2.6
168.09346	1.4
169.10138	4.4
170.10962	1.5
171.08072	4.0
171.11684	7.7
173.09680	4.4
173.13208	10.4
175.07626	1.5
175.11201	4.7
175.14832	4.3
177.05521	1.6
177.09212	1.6
177.12767	2.4
179.08464	1.6
179.14380	1.5
180.09430	1.6
181.10152	2.0
183.11685	5.2
185.09555	1.9
185.13284	7.1
187.07698	1.6
187.11211	4.6
187.14848	7.7
189.12730	8.5
189.16360	2.7
191.14378	7.5
195.11726	1.7
197.13286	3.9
199.11209	3.1
199.14841	6.0
201.12743	5.2
201.16447	3.7
203.14323	72.6
204.14552	1.8
205.12195	1.8
205.15822	5.2
207.11732	2.6
209.13246	2.1
211.11140	1.9
211.14886	2.5
213.12778	4.2
213.16432	2.9
215.14354	10.0
217.12221	3.2
217.15910	11.3
223.14894	1.9
227.14342	3.4
229.12410	1.8
229.15909	10.1
231.13892	3.0
231.17404	2.3
233.15450	1.8
237.16469	2.3
241.15984	2.4
243.17406	2.2
245.15367	1.6
253.15781	1.8
255.17447	3.7
257.18970	2.5
267.19669	1.5
283.16870	1.7
283.20474	1.6
301.18030	4.0
323.23636	3.1
325.25217	2.4
335.31345	1.9
357.20679	2.7
369.23950	1.8
377.28638	2.1
389.28586	6.7
395.25714	2.2
403.26202	1.6
405.27902	5.0
407.29453	7.1
409.31015	14.9
417.27872	2.6
421.27374	7.7
423.28955	37.6
424.29205	2.3
433.27435	4.4
435.29028	6.1
441.30191	2.1
449.26520	2.3
451.28461	21.3
453.29984	41.6
454.30408	3.2
461.26340	1.7
467.27875	7.4
471.25854	2.8
471.31332	13.7
497.28922	6.0
515.19543	13.0
515.29547	3.6
515.37598	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	515.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
67.05510	1.4
69.07079	1.9
69.61463	1.5
71.38847	0.3
72.80703	0.3
79.05492	1.0
81.07056	2.2
83.04996	0.4
83.08622	0.5
88.77482	0.3
91.05500	0.9
93.07037	1.7
95.08611	3.4
97.06583	0.4
105.07034	2.2
107.08595	3.3
109.10169	2.3
111.08094	0.3
111.11766	0.3
117.07008	0.3
119.08583	3.8
121.06527	0.6
121.10155	4.0
121.12041	0.3
123.08060	0.8
123.11716	1.3
125.09668	0.3
127.11181	0.3
131.08569	1.0
133.10130	2.1
135.08070	0.5
135.11694	2.3
137.09630	0.5
137.13260	0.7
139.11211	0.6
143.08574	0.8
145.10144	1.6
146.10486	0.3
147.10675	0.4
147.11685	1.9
149.09607	0.7
149.13304	1.0
157.10155	0.9
157.18292	0.3
159.11714	1.1
161.09630	0.5
161.13278	1.0
163.11218	0.3
163.14870	0.6
171.11679	0.8
173.13313	1.0
175.11218	0.3
175.14822	1.0
177.16527	0.3
185.13318	0.3
187.11203	0.3
187.14906	1.5
189.16399	2.7
191.17970	0.7
199.14816	0.6
201.12732	0.5
201.16396	0.7
203.14328	0.4
203.17993	0.8
205.15939	0.5
205.19563	0.3
207.17393	0.3
211.14803	0.5
213.12897	0.3
225.16353	0.5
229.15869	0.3
231.13760	0.5
233.15309	0.6
241.19562	0.3
249.14960	0.4
249.18523	0.3
437.29843	0.6
437.34863	0.5
455.31247	0.6
469.33020	0.3
497.37161	0.6
515.31879	100.0
516.32220	7.6
516.39191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
67.05506	0.9
69.07082	1.2
69.11347	2.6
69.95590	0.3
79.05488	0.8
81.07069	2.3
83.04988	0.4
83.08621	0.7
91.05511	1.0
93.07056	2.4
95.04975	0.4
95.08610	3.5
97.06555	0.6
97.10176	0.4
99.08098	0.6
101.40883	0.3
105.07044	2.2
107.08601	3.1
109.06514	0.3
109.10174	2.8
111.08125	0.5
115.76094	0.4
119.08575	3.0
121.06485	0.5
121.10159	3.8
123.08096	0.8
123.11723	1.8
123.12650	0.3
131.08572	0.9
133.06534	0.3
133.10146	2.9
135.08095	0.5
135.11707	2.8
137.09682	0.5
137.13245	0.6
145.10156	2.0
147.08054	0.3
147.11710	1.3
149.09628	0.5
149.13297	1.3
157.10178	0.6
159.11746	1.5
161.09514	0.4
161.13264	1.2
163.11148	0.7
163.14890	0.7
169.10165	0.5
171.11713	0.7
173.13280	0.9
173.65103	0.3
175.11095	0.4
175.14886	0.9
185.04176	0.5
185.13324	0.6
187.11073	0.3
187.14871	0.9
189.12817	0.4
189.16400	2.7
191.17978	0.7
199.14857	0.4
201.12788	0.3
201.16368	0.4
203.05312	1.1
203.17967	0.5
211.14899	0.3
215.14418	0.4
215.17937	0.5
217.15968	0.5
229.15979	0.5
229.19452	0.3
233.15469	0.8
259.07935	0.6
284.02167	0.3
409.30667	0.3
437.34171	1.2
455.31772	1.1
479.35721	0.4
497.36981	2.1
515.31915	100.0
516.32196	6.9
516.39142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01865	2.6
55.05512	18.8
57.03428	5.2
57.07071	5.6
61.02925	2.0
64.55378	1.0
65.03937	3.0
67.05507	88.3
68.05827	2.2
69.03442	6.5
69.07074	18.5
69.49168	6.0
71.01334	1.9
71.04987	3.2
71.08654	1.3
73.02900	1.8
73.41412	1.0
79.05495	67.1
79.67144	1.1
81.03412	3.5
81.07059	100.0
83.04967	4.7
83.08614	9.1
85.02905	3.3
85.03879	1.1
85.06532	5.2
91.05480	38.5
93.07048	80.0
95.04959	6.9
95.08611	73.2
97.02898	2.3
97.06528	4.8
97.10159	4.1
99.04474	1.2
99.08092	5.1
105.04506	1.6
105.07030	30.7
107.08596	54.3
109.02840	1.2
109.06526	4.9
109.10160	40.6
110.10509	1.3
111.08101	4.4
111.11770	1.0
113.09653	2.0
117.07020	15.9
119.08581	27.7
121.06555	1.4
121.10152	44.5
122.10512	2.4
123.08052	4.3
123.11715	23.0
123.12572	2.2
125.09621	1.7
129.06998	4.6
130.07755	1.4
131.07562	1.6
131.08560	26.2
133.10130	24.4
135.08118	2.9
135.11702	34.0
137.09610	3.5
137.13260	6.4
139.11182	1.8
143.08603	2.7
145.10141	24.4
147.08041	2.2
147.11687	18.3
149.09657	3.0
149.13272	24.9
151.11172	2.2
151.14818	2.2
153.12732	2.6
155.08530	1.5
157.10129	4.7
159.08044	1.7
159.11690	20.0
161.09648	2.0
161.13292	16.4
163.11159	1.7
163.14832	14.4
165.12865	2.5
169.10127	2.1
171.11707	4.2
173.09644	1.4
173.13258	17.2
175.11192	2.2
175.14816	6.3
177.12772	2.2
177.16393	4.9
179.14270	2.1
181.12323	1.3
183.11719	2.2
185.13280	2.7
187.14827	12.6
189.16412	2.8
191.14384	2.4
193.12268	1.6
199.14793	2.6
199.17131	1.1
201.16399	4.4
203.14368	1.8
205.15889	2.3
215.17879	2.7
223.16997	1.5
233.22604	3.0
237.16418	1.4
243.21089	26.4
261.22144	78.1
262.22568	3.9
279.23148	3.2
303.23303	2.0
335.25818	9.9
339.23212	1.2
345.24402	1.9
353.26944	11.1
369.24240	2.2
387.25400	1.7
461.28906	1.6
497.31741	2.3
515.34418	6.7
537.45715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01867	2.8
55.05516	22.7
57.03442	8.2
57.07059	3.7
61.02927	6.2
65.03950	2.7
67.05507	94.5
69.03430	5.6
69.07060	19.7
71.05007	5.2
73.02913	2.9
76.16232	2.1
79.05492	55.9
81.07059	100.0
83.04981	4.8
83.08623	9.6
85.02904	5.7
85.06531	4.6
88.49454	2.0
91.03989	2.6
91.05476	37.8
91.05996	3.0
93.07043	65.7
95.04993	8.3
95.08608	79.6
97.02914	5.0
97.06532	5.1
97.10176	4.5
99.08098	3.6
105.07025	32.8
107.08598	45.7
109.06534	5.4
109.10159	41.0
110.97811	2.2
111.08103	2.4
113.00025	4.2
117.06996	13.1
119.08588	25.3
121.10145	41.7
122.10453	2.3
123.08080	4.4
123.11703	19.3
129.06993	4.6
131.08574	26.6
133.10136	18.2
135.11690	37.5
137.13297	7.8
138.04225	2.3
142.94803	2.4
143.08562	3.6
145.10143	18.6
147.11665	19.9
148.87592	2.3
149.09624	3.1
149.13228	20.9
151.14871	3.5
157.10114	2.9
159.11700	17.1
161.13245	14.8
163.11102	3.5
163.14798	13.3
171.11850	2.4
173.13228	18.0
175.14848	6.9
177.16391	6.6
179.14355	5.6
185.13126	2.5
187.14857	12.3
191.14221	2.9
201.16370	5.1
233.22556	3.4
243.21114	27.9
261.22150	90.5
262.22375	2.9
274.43250	2.3
279.23209	3.5
317.24838	2.7
335.25864	27.9
345.24283	4.3
353.26843	13.6
497.31180	6.0
515.26270	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
54.47467	5.2
54.58839	5.9
55.05507	16.6
57.03424	6.0
57.07096	6.6
65.03934	7.0
67.05174	7.2
67.05509	79.3
69.07079	22.1
69.07701	5.1
70.13176	15.8
71.04990	5.5
79.05504	49.2
81.07062	100.0
83.08631	6.3
85.06546	8.4
91.05480	43.5
93.07052	76.1
95.08602	69.3
97.06500	7.2
105.07017	29.1
107.08603	48.4
109.10155	32.4
113.00076	6.6
117.07008	9.6
119.08583	21.6
121.10136	52.7
121.10743	4.8
123.11723	12.8
124.03963	16.8
131.08557	24.0
133.10107	20.7
135.11716	29.3
137.13269	6.1
145.10106	19.9
147.11699	9.0
149.13315	29.6
150.13475	5.3
154.94177	12.8
159.11703	14.9
161.13313	14.6
163.14877	14.6
172.95271	22.2
173.13316	18.8
175.14830	7.5
187.14793	12.4
190.96217	7.2
210.97717	25.8
243.21075	23.0
261.22150	74.3
280.15692	6.3
335.25775	7.1
345.24274	9.1
353.26791	8.8
460.21484	13.3
473.19812	9.6
515.34412	31.7
516.24152	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
54.20397	3.3
55.05502	20.0
57.03434	8.4
57.07054	4.5
61.02926	6.3
65.03910	5.0
67.05505	100.0
69.03436	6.2
69.07064	18.2
71.32256	4.5
79.05493	60.7
81.03402	5.5
81.07057	98.1
83.04968	3.8
83.08613	9.8
85.02910	11.1
91.05478	41.1
93.07047	65.5
95.04973	8.2
95.08605	68.8
97.06521	5.7
97.10139	4.9
98.82410	3.5
105.07029	30.8
107.08595	36.1
109.06563	5.2
109.10155	36.8
117.07044	8.7
119.08598	19.9
120.62281	3.7
121.10152	37.5
123.11694	14.9
131.08572	19.4
133.10117	18.8
135.11711	30.6
137.09641	5.1
137.13210	6.8
145.10156	20.0
147.11676	13.7
149.13234	19.1
154.94217	4.9
159.11690	13.4
161.13277	12.0
163.11183	5.4
163.14850	11.3
172.95197	4.3
173.13318	17.5
175.14911	3.7
177.16428	5.6
187.14848	10.1
201.16344	5.9
243.21120	16.7
261.22153	53.1
274.49960	3.6
284.73712	3.5
293.77982	3.5
335.25568	16.9
353.26959	8.9
368.56512	4.3
425.97015	3.8
444.42130	3.7
497.31335	4.3
515.32739	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06161	0.7
51.97184	0.8
53.03950	1.3
55.01878	0.8
55.05508	6.3
56.60861	0.8
57.03428	3.2
57.07059	2.3
65.03931	0.9
67.05176	1.5
67.05506	15.7
69.03429	1.7
69.07070	19.8
69.26263	1.4
69.26654	4.2
71.01365	3.4
71.05012	1.0
79.05489	6.0
81.07056	19.0
82.07417	0.8
83.08625	4.0
85.06557	1.3
91.05479	5.4
93.07041	13.3
95.04979	3.3
95.08611	22.8
97.06522	2.9
97.10177	1.8
99.08109	0.9
105.06374	1.2
105.07033	10.2
107.08598	17.0
109.06525	2.8
109.10159	100.0
110.10485	2.0
111.08084	7.1
111.11718	7.7
117.07038	1.8
119.08575	10.7
121.06520	3.4
121.10152	18.3
122.07403	0.8
123.08069	8.6
123.11709	9.8
125.06015	1.9
125.09655	1.8
127.07553	1.2
127.11198	29.1
129.07089	0.7
131.08565	3.4
133.06567	0.9
133.10139	10.3
135.08087	4.3
135.11697	7.9
137.09622	10.7
137.13245	3.7
139.07559	2.1
139.11223	4.7
143.08606	1.7
145.10098	5.3
147.08052	1.1
147.11699	7.8
149.08537	0.9
149.09630	3.3
149.13232	3.6
151.11166	2.8
151.14899	1.2
153.09143	1.5
153.12773	2.0
155.10701	1.5
157.10156	2.0
159.11690	4.5
161.09572	1.8
161.13284	5.4
163.07587	1.2
163.11220	8.5
163.14842	3.0
165.12750	4.8
167.10667	1.3
169.12245	12.5
171.11752	2.4
173.09775	1.1
173.13281	3.3
175.07579	2.0
175.11217	3.4
175.14857	6.1
177.09239	0.8
177.12767	1.7
177.16307	1.5
179.10721	4.6
181.12248	6.3
182.12817	0.7
185.13326	2.0
187.14873	2.4
189.09233	1.2
189.12773	5.6
189.16379	3.5
191.14301	2.0
191.17967	2.7
199.14795	1.0
201.16423	1.9
203.10634	1.2
203.14371	2.0
203.17934	1.2
205.19537	2.7
209.11732	2.0
213.12712	0.7
217.15875	1.1
217.19574	3.6
219.17381	1.5
219.21114	3.1
227.12656	1.5
229.19530	1.5
231.17384	1.3
231.21085	1.2
235.16946	1.9
235.20523	1.0
245.22711	1.5
247.20602	1.4
255.21124	1.1
257.22598	1.8
258.26926	0.9
259.16849	0.9
261.22171	4.2
263.20023	2.2
267.21133	1.0
273.22092	1.4
275.23679	4.5
285.18884	0.8
285.22116	2.0
291.23206	2.8
301.25342	2.3
303.19562	7.0
303.23123	2.5
327.23254	2.7
343.26288	1.8
363.21677	10.3
395.33105	3.7
409.34470	0.8
411.32434	0.9
419.33054	2.0
420.33618	0.9
421.34677	3.6
424.82654	0.9
437.34149	13.1
438.34396	1.7
439.35712	7.5
455.35248	8.9
471.34824	6.4
479.35043	1.0
497.36304	2.1
515.37378	23.7
515.51178	3.2
516.37500	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
50.75542	2.5
53.03933	4.3
55.05515	18.2
57.07077	5.1
61.97134	3.3
67.05499	24.9
69.07074	38.5
69.26659	17.4
70.98292	2.5
79.05494	13.9
81.07059	50.3
83.04990	6.9
83.08618	11.8
85.02920	2.7
85.06506	2.5
91.05470	17.4
91.19456	2.9
93.07050	26.3
95.04967	5.1
95.08610	85.9
97.06532	5.3
97.10136	4.6
99.04459	39.5
101.00060	3.2
105.07037	36.6
107.07948	5.1
107.08601	59.5
109.06506	5.8
109.10153	52.1
111.08102	5.3
111.11718	6.2
117.07003	5.3
119.08595	61.1
121.06522	3.2
121.10155	69.9
123.08063	8.1
123.10800	4.6
123.11707	80.1
129.06932	2.9
131.08566	19.0
133.10133	41.9
135.08037	8.3
135.11710	23.9
137.09608	8.3
137.13231	13.9
143.08562	6.5
144.09302	5.3
145.10133	30.0
147.08032	3.3
147.11710	24.7
149.09599	7.3
149.13278	14.8
151.11156	3.7
151.14854	17.9
156.09364	4.0
157.10170	19.7
158.10893	4.0
159.11684	31.5
161.09634	5.7
161.13271	65.7
163.11227	4.2
163.14877	16.6
165.12733	4.5
168.09274	3.1
169.10101	4.2
170.10907	4.0
170.20303	3.2
171.11696	13.4
173.09674	4.8
173.13266	33.8
175.11253	7.8
175.14833	23.9
177.12709	5.2
177.16484	15.2
181.15901	7.7
183.11681	7.9
185.13252	10.0
187.11163	9.7
187.14786	31.9
189.12791	9.8
189.16405	30.4
191.14172	3.8
191.17891	11.3
196.12289	3.0
197.13321	4.9
199.14830	9.9
201.16400	14.2
203.14313	5.4
203.17934	15.1
205.15938	5.2
205.19482	2.8
209.13235	4.9
210.14067	4.0
211.14867	7.9
213.16331	7.1
215.14313	5.4
215.17995	12.4
217.15852	9.6
217.19537	12.5
221.15375	12.1
221.19029	13.5
223.14816	3.2
225.16402	6.8
227.17960	7.9
229.19542	8.5
231.17392	3.2
231.21188	5.3
233.15285	5.3
233.18977	9.3
237.16373	4.1
241.19650	3.6
243.17427	9.0
247.16882	3.4
249.18436	9.0
253.19501	8.0
259.20557	14.9
275.20154	9.0
279.21265	3.1
281.22351	4.2
295.20386	3.6
391.33597	22.5
401.31976	6.4
407.33026	8.6
409.34732	34.7
410.34531	3.8
419.33148	28.3
437.34137	65.9
438.34476	8.6
455.35419	6.1
479.35098	13.1
497.36386	100.0
498.36340	10.8
515.37732	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	3alpha-Acetoxy-27-hydroxylup-20(29)-en-24-oic acid
Peak:m/z	Relative Intensity
52.58795	2.3
55.05505	9.3
57.07071	2.9
67.05511	12.5
69.07023	19.4
69.07406	12.3
77.13576	2.4
79.05476	7.1
81.07054	32.0
83.08611	5.3
87.04478	3.2
91.05470	9.5
93.07050	20.1
95.08040	4.0
95.08611	46.4
97.10165	4.7
98.23413	3.8
105.07021	18.3
107.08597	36.7
109.06471	3.5
109.10155	37.5
111.08171	2.9
111.11729	5.3
114.18288	2.3
115.96693	2.4
119.08583	30.3
121.06525	3.7
121.10140	50.2
123.08051	6.2
123.11720	19.2
131.08557	7.1
133.10132	25.7
135.08064	5.6
135.11700	25.7
137.09604	4.9
137.13257	10.1
143.08594	4.0
145.10132	17.2
147.11700	14.9
148.12125	2.3
149.09590	5.7
149.13252	8.6
151.07646	2.5
157.10136	4.4
159.11684	10.1
161.09634	5.1
161.13275	12.4
163.11192	9.0
163.14832	4.6
165.12723	8.1
171.11687	5.5
173.13275	10.8
175.14748	11.3
177.16367	3.8
178.51881	2.3
181.12244	12.7
183.11694	3.7
185.13266	6.6
187.14830	9.4
189.12775	3.2
189.16426	17.4
191.14235	3.8
191.17964	7.9
193.15863	2.8
201.16409	5.4
203.14331	7.5
203.18179	6.0
205.15904	7.1
205.19496	8.7
210.22986	2.2
211.14746	2.4
215.14342	2.8
215.17934	3.7
217.15854	8.0
217.19557	4.5
219.17485	3.9
229.19556	2.5
231.17439	3.1
233.15352	6.5
245.19183	2.8
259.20819	2.7
273.22348	5.3
287.37888	2.6
391.33585	3.7
395.33017	10.4
409.34689	26.9
419.32999	10.1
431.51880	2.6
437.34122	39.4
438.34503	3.3
444.92621	2.3
455.35178	100.0
456.35187	11.4
459.21365	2.3
497.35889	5.0
515.37006	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	515.3736
Annotation	Rubiarbonone C
Peak:m/z	Relative Intensity
51.18046	2.1
53.99709	2.2
55.01902	2.3
55.05517	10.1
57.07071	3.0
67.05513	18.2
69.07075	15.0
70.82760	5.2
73.09470	2.1
77.19103	2.1
79.05495	13.9
81.07059	41.1
81.87809	2.1
83.05042	2.2
83.08632	5.7
91.05491	14.6
93.07046	24.9
95.04974	5.4
95.08608	52.2
97.06530	5.0
97.10207	2.4
97.25436	2.5
97.60252	2.4
99.08112	17.0
105.07026	29.8
107.08589	35.8
109.06538	7.5
109.10154	37.3
110.10479	2.4
111.08141	3.2
111.11713	2.6
113.06085	2.2
116.65565	2.0
117.07050	4.8
119.08587	37.5
121.06507	14.3
121.10141	34.9
123.08067	6.8
123.11719	18.5
125.06003	2.6
125.09686	3.2
127.07563	4.9
130.57610	2.3
131.08586	13.2
133.10138	39.4
134.10468	3.3
135.08070	9.3
135.11685	23.9
137.09604	3.3
137.13261	6.1
139.07518	2.6
143.08557	7.0
145.10150	22.3
147.08163	3.3
147.11687	24.2
149.09644	6.7
149.13254	10.4
151.07570	6.2
157.10155	10.2
159.08087	4.0
159.11725	17.1
161.09647	6.1
161.13313	10.4
163.11194	2.6
163.14841	7.5
165.12775	3.2
169.10074	2.7
171.11728	8.8
173.13298	13.7
175.11182	5.8
175.14879	9.8
177.12817	3.7
177.16368	5.8
179.10805	2.6
182.10948	2.3
183.11653	3.0
185.13286	9.5
187.14862	19.7
189.12794	4.2
189.16388	59.1
190.16747	3.6
191.14333	3.3
191.17998	7.5
195.17479	3.3
197.13232	4.0
199.14838	4.4
201.16402	7.5
203.14297	3.2
203.18060	5.4
205.15906	3.4
205.19478	5.4
213.16386	5.3
215.14301	12.2
217.15936	4.9
219.17386	4.4
229.15869	4.0
229.19484	2.5
231.13828	13.7
231.17407	3.1
233.15424	6.6
241.19440	3.6
249.18576	2.6
271.24323	2.5
273.22202	2.7
283.20807	2.3
391.33533	2.7
407.33258	2.5
409.34515	6.4
410.35196	2.8
419.33109	7.9
437.33899	33.4
438.34543	6.5
455.35156	28.5
456.35455	4.9
479.35114	3.7
497.36276	100.0
498.36459	11.2
515.37402	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	516.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	4.7
52.50162	4.0
52.61216	4.0
53.03940	10.1
54.83135	3.8
55.05527	4.7
56.73561	4.2
57.03424	5.1
58.99589	20.7
61.02959	4.0
65.03929	5.7
67.01858	10.5
67.05503	10.3
69.03426	11.4
70.02946	6.8
70.06591	16.1
71.04993	90.5
71.31799	5.7
72.08149	42.1
77.03951	9.1
79.05511	18.8
80.03746	4.2
80.65043	4.8
81.03420	8.8
81.07066	13.9
84.08145	8.2
85.02896	26.6
85.06532	5.0
86.00652	5.1
86.09699	35.8
88.03992	68.8
91.05485	31.8
93.07074	6.9
95.04987	5.9
97.01130	14.6
97.02930	6.1
97.06517	8.6
101.37399	4.4
103.05497	10.7
105.07022	12.2
115.05458	38.2
117.05785	5.3
117.07027	10.6
118.06523	5.8
119.04948	14.5
120.01176	4.8
121.01101	8.7
123.02657	10.2
128.06230	27.2
129.07024	26.6
130.06512	7.0
131.08569	6.1
133.06476	5.1
134.01859	8.1
135.02649	17.0
137.04207	5.0
141.07002	19.3
142.06679	4.4
142.07805	16.0
143.07368	5.8
143.08582	8.6
144.08061	6.9
145.02850	5.4
145.06497	5.9
147.02650	16.7
149.00574	6.3
150.03691	4.6
152.06255	20.2
153.06987	26.3
154.06525	14.1
154.07819	14.4
155.08582	12.7
159.02603	7.9
161.04230	17.3
162.03740	20.1
163.03922	19.8
165.07106	11.5
167.07323	8.2
167.08629	16.1
168.08130	18.5
168.09367	6.7
169.06487	8.8
169.10211	7.3
170.07236	5.7
170.09607	6.5
171.02640	16.8
171.14934	10.5
172.03369	9.2
173.04265	15.3
175.05826	9.2
176.05252	8.3
177.03629	5.6
178.07828	6.6
179.08588	6.0
180.08043	5.0
181.08769	6.2
182.09549	7.1
184.03418	11.3
185.04257	19.8
187.02139	11.9
187.05876	10.9
187.11055	6.6
188.02884	4.7
188.05312	10.8
189.03734	13.6
194.09676	5.9
195.10391	7.5
196.08829	12.2
197.09605	23.9
198.10425	9.8
199.04492	6.2
200.05302	9.8
201.03694	12.8
201.07307	10.8
201.12387	11.4
202.06772	23.9
204.08261	5.9
208.04280	45.1
213.11572	9.1
214.06908	10.0
214.12221	8.1
215.10706	7.7
228.08466	14.6
229.06894	15.4
231.08336	40.7
248.07416	56.5
249.09486	16.8
259.06464	10.0
272.10941	7.0
282.90027	4.4
314.17032	7.4
318.11569	100.0
319.66977	4.6
336.12805	43.5
417.28217	5.6
446.13538	5.0
516.19073	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	516.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25897	1.8
53.03943	2.7
56.05031	2.5
56.96556	2.1
57.03439	3.2
61.02922	2.6
65.85275	1.9
67.05505	6.3
69.03431	15.3
70.06590	20.3
70.46633	5.0
71.04993	2.3
72.08150	13.8
81.03429	4.7
83.04589	1.9
84.04530	3.0
84.08147	6.0
85.02902	16.9
86.09715	17.2
87.04489	3.3
91.05482	5.1
94.06575	6.9
97.02911	8.8
103.05467	2.1
106.06573	3.8
106.64156	1.9
108.08119	91.0
109.02877	2.0
109.08449	3.4
110.07188	4.0
115.05485	2.1
119.04987	5.1
122.06047	16.1
123.06841	4.2
124.07581	17.4
127.03951	5.0
129.10220	3.5
130.06540	74.2
131.04958	4.2
132.08130	4.7
134.05997	18.6
135.09187	2.8
136.07579	31.3
138.05421	2.0
139.62436	1.5
142.06474	2.5
144.08122	3.8
145.02878	2.3
146.05992	12.2
147.04434	6.7
149.07141	3.6
150.05511	100.0
151.05872	3.2
152.07071	87.6
154.08685	6.3
154.44853	1.7
157.07648	6.1
158.08423	6.7
159.09183	19.7
161.07114	14.8
162.07840	3.4
163.04008	4.5
163.07520	2.6
163.08672	66.1
164.07057	4.3
165.07889	2.1
169.07675	7.7
171.09245	3.8
175.03928	4.6
175.08731	4.3
175.11917	3.8
179.08270	2.6
180.08018	2.6
181.09734	7.6
183.11510	1.9
188.07115	5.3
188.37723	2.1
189.06561	2.3
201.12383	3.8
205.09801	2.1
206.08372	4.2
207.06313	7.1
207.08052	18.5
212.04893	2.0
219.07735	2.7
220.09998	4.9
221.10759	5.4
225.08713	8.9
231.09407	1.8
232.10127	5.3
247.12422	5.6
248.09471	7.6
249.10242	44.1
250.10783	2.3
251.11865	5.5
257.10934	2.3
261.10297	6.4
262.10788	2.5
263.11801	36.0
264.12262	3.5
265.09775	3.4
265.13394	2.9
267.11356	7.3
273.10083	3.1
275.11792	62.8
276.12222	3.0
279.11340	7.0
280.12027	4.4
281.12820	27.8
292.14459	51.2
293.12485	13.5
310.15494	33.9
311.15921	3.1
314.12354	15.1
336.13538	2.9
343.15109	6.9
354.14526	9.4
385.61789	1.9
387.13962	39.0
387.18747	3.3
388.14313	3.0
429.16550	10.6
441.16779	3.7
442.17270	2.4
443.18140	71.4
444.18726	5.2
455.17953	18.6
472.20807	69.5
473.21057	5.5
516.19873	63.0
516.30835	13.8
517.20337	4.7
536.65265	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	516.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45050	2.3
53.03951	3.9
53.91698	2.2
55.01871	4.8
55.05489	5.3
57.03424	2.5
57.07084	13.9
59.98111	2.5
65.01671	3.0
69.03420	12.4
69.07067	4.6
70.06597	12.3
71.04978	4.2
72.08154	5.8
79.05489	6.5
81.03419	9.8
81.07081	6.6
83.39874	2.7
84.04501	3.7
84.08134	3.0
85.02916	27.7
85.06559	9.5
86.09711	25.3
87.00826	15.7
90.21883	2.9
91.05499	11.7
93.07025	13.5
95.08611	7.8
97.02885	9.1
98.22543	6.7
99.04460	6.6
102.73175	2.7
105.01860	20.0
105.07024	19.6
107.08610	8.3
109.02876	9.7
109.06474	5.3
110.17545	3.3
117.07024	10.5
119.08582	25.6
120.43075	2.5
121.06492	13.0
121.10146	4.8
123.08074	4.1
127.03914	25.1
130.07809	7.3
131.08565	31.7
133.06473	14.5
133.10141	13.6
134.10434	6.3
135.08072	6.2
137.05925	3.6
137.09637	3.2
143.08580	7.4
143.11784	4.9
144.09277	2.7
145.04962	9.2
145.10114	100.0
146.05965	3.8
146.10603	2.7
149.05878	2.7
149.09512	2.5
155.08557	9.0
157.10094	8.0
158.07304	7.2
158.10812	3.1
159.02942	2.9
159.08020	6.1
159.11754	5.4
161.09573	2.8
167.07074	6.8
171.11537	5.3
173.09599	43.9
173.13242	11.1
175.03804	3.1
177.05525	2.8
185.13199	6.4
186.13712	3.3
187.14810	57.9
191.14273	5.8
197.13130	6.0
201.05536	4.4
203.14429	3.0
215.14297	52.0
216.14651	4.1
231.05032	8.7
233.15347	53.2
249.06001	5.8
312.97940	2.8
341.15790	4.0
354.13733	3.2
481.20605	10.1
498.20313	4.1
499.16312	3.3
516.21179	9.0
516.29907	5.1
517.22003	34.4
517.30377	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	516.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03946	0.8
55.01873	0.4
55.05516	1.8
55.14946	0.3
57.03435	0.4
57.07069	0.7
57.65682	0.2
58.57365	0.3
65.03941	0.4
66.37532	0.2
67.05174	0.4
67.05507	5.4
69.03426	1.6
69.07061	2.2
69.94209	1.1
71.01354	0.4
71.04990	0.5
77.03893	0.2
78.03453	0.4
79.04221	0.4
79.05494	5.5
80.05018	3.5
81.03429	0.3
81.07056	7.4
83.04990	0.6
83.08620	0.8
85.02882	0.4
85.06529	0.4
91.05475	3.7
93.07042	6.2
95.04969	0.9
95.08604	5.8
96.04489	2.1
96.08899	0.3
97.02872	2.7
97.06540	0.7
97.10156	0.4
99.08057	0.4
103.05463	0.3
104.92693	0.2
105.07027	3.4
106.07376	0.3
107.08599	4.3
107.73345	0.2
109.06516	0.6
109.10149	3.1
111.08112	0.5
111.11750	0.2
115.03905	0.3
117.07028	1.6
119.08585	3.7
120.08916	0.4
121.06520	0.6
121.10143	4.6
123.08094	0.6
123.11713	1.9
124.03950	100.0
125.04279	1.7
129.07062	0.6
131.08566	2.1
133.10139	2.9
134.10481	0.5
135.08067	0.6
135.11696	3.1
136.93069	0.3
137.09612	0.6
137.13266	0.5
143.08546	0.7
145.10121	2.0
147.11674	1.6
149.13258	1.2
149.80426	0.3
151.11192	0.5
154.94164	0.8
155.08469	0.3
157.10141	0.7
159.11667	1.8
161.09552	0.5
161.13248	1.3
163.11186	0.3
163.14828	0.3
165.12704	0.4
169.10136	0.5
171.11639	0.7
172.95245	0.8
173.09631	0.6
173.13358	1.3
175.11249	0.4
175.14804	0.9
177.12726	0.3
181.12216	0.3
182.99605	0.2
185.09535	0.3
185.13243	0.6
187.11122	0.3
187.14803	0.9
189.16380	1.0
190.96310	0.4
191.14368	0.3
199.14856	0.4
201.16403	0.4
203.14449	0.3
205.15738	0.3
209.13351	0.3
210.97548	0.7
211.14848	0.3
217.15971	0.3
221.15178	0.3
228.97774	0.3
233.15292	0.4
259.20691	0.3
261.22192	0.8
270.19604	0.3
319.19128	0.3
337.20453	0.3
339.23187	0.2
357.24234	0.5
393.26663	0.3
393.31549	0.2
411.32141	0.2
420.29736	0.4
455.18820	0.5
456.32278	0.3
457.23169	0.4
460.21310	0.4
473.19772	1.7
499.34409	0.4
516.24249	0.4
516.33374	1.5
517.31830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85754	2.5
55.05502	10.7
57.07068	8.6
67.05511	11.2
69.07076	22.9
76.67487	2.3
77.32840	2.0
79.02510	1.9
79.05502	13.7
81.07062	31.3
83.08633	9.6
85.10221	2.3
91.05494	16.2
93.07050	46.7
95.08616	48.1
97.06560	6.0
97.10183	5.7
105.07040	21.8
107.08600	55.3
109.06537	4.2
109.10169	35.3
111.11730	5.2
117.07063	7.3
119.08599	31.3
121.06528	8.9
121.10152	54.2
122.10429	2.9
123.08100	5.5
123.11708	14.4
125.06045	3.7
129.07037	2.9
131.08582	19.5
133.10149	44.0
135.08089	11.1
135.11707	50.1
137.09651	4.6
137.13261	7.7
139.07539	14.4
143.08565	5.0
144.09293	3.5
145.10130	51.2
147.08038	7.6
147.11740	11.4
149.09637	5.2
149.13264	21.5
153.09113	17.9
157.10130	7.2
158.11134	2.1
159.11710	40.7
161.09624	9.3
161.13277	7.2
162.10365	3.8
163.07607	6.0
163.11150	4.1
163.14827	6.1
169.10188	4.5
171.11786	5.6
173.09598	3.7
173.13223	11.4
175.14845	7.3
177.09116	4.3
177.16434	8.8
183.11914	2.6
185.13278	4.7
187.14824	41.7
189.16388	5.7
191.10707	3.8
191.17967	27.5
197.13326	3.1
199.14903	4.8
201.16408	52.9
202.16724	2.6
203.17966	3.3
205.12251	3.5
205.15913	3.6
211.14885	10.8
217.15891	11.2
218.16278	5.4
219.17450	94.7
219.20786	3.5
220.17819	3.3
229.15923	24.2
229.19392	2.6
243.21364	2.5
247.16948	58.7
248.17296	3.5
271.20575	2.6
287.23755	4.9
339.58789	2.6
370.95004	2.7
373.63925	2.4
393.35220	3.3
403.33661	8.7
421.34683	55.5
422.35226	3.8
439.35730	100.0
440.36118	8.4
481.36743	4.4
482.37283	3.1
499.37335	12.5
516.37531	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	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82176	7.0
57.07059	8.6
61.65684	7.3
66.81480	7.0
67.05496	18.5
69.07063	11.5
74.37658	6.5
79.05490	11.2
81.07044	19.8
85.10216	7.3
91.05471	12.9
93.07038	14.6
95.08593	27.9
98.23445	14.2
103.81882	6.6
105.07047	20.8
107.08598	20.1
109.10155	34.1
110.10606	6.8
110.35883	7.6
119.08575	22.9
121.10131	24.6
123.08086	10.7
123.11645	9.0
130.71475	7.6
133.10146	12.7
135.11729	12.6
137.13206	9.5
147.11691	9.4
155.53940	7.6
161.13231	11.8
165.12805	13.2
187.14748	8.4
217.15901	10.0
262.25204	29.8
294.46344	8.8
395.33118	22.1
421.34503	11.5
439.35751	100.0
440.35785	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	516.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05992	2.8
55.05526	6.4
57.07076	3.7
60.42648	2.6
62.14898	3.3
65.63199	3.0
67.05508	15.8
69.07072	13.9
69.31048	6.0
69.31451	15.4
79.05476	6.3
81.07059	33.0
83.08604	7.9
90.73669	3.2
91.05478	6.2
93.07045	18.3
95.08611	45.7
96.08942	4.2
105.07031	18.6
107.08573	28.3
109.06522	3.2
109.10159	43.3
110.10503	7.5
113.95216	3.3
117.07005	5.8
119.08582	21.9
120.08932	2.9
121.10144	26.5
123.11708	40.7
131.08539	11.5
133.10124	21.4
134.10487	4.3
135.11739	14.8
137.13277	12.9
138.13495	3.2
145.10107	13.5
147.11690	11.7
149.13258	13.0
157.10222	5.9
159.11702	13.5
161.13283	12.8
163.14810	4.4
169.12309	4.1
171.11627	3.4
173.13260	28.3
175.14848	11.6
176.15196	4.2
176.87012	2.9
177.16380	4.4
181.12206	3.1
187.14828	14.7
189.16327	15.2
190.16765	3.5
199.14851	5.5
201.16359	12.4
209.15257	3.4
227.17981	5.1
229.15846	3.1
229.19534	12.4
233.15405	6.5
239.18051	4.2
241.19458	3.2
243.20988	4.1
289.21564	4.2
301.21759	3.7
323.78394	3.0
421.34430	9.5
438.34665	9.2
439.35724	100.0
440.35928	8.4
456.35620	10.0
471.38696	3.4
489.61197	3.4
498.36414	15.6
499.37952	7.3
516.37421	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	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33754	2.9
52.64232	2.8
55.05507	10.2
57.03444	4.1
57.07067	4.4
61.00305	3.7
67.05505	23.0
69.07080	20.6
69.70299	6.4
69.70709	9.7
71.01348	3.5
79.05505	8.5
81.07066	32.0
83.08641	7.7
91.05493	13.0
93.07053	21.1
95.04986	5.7
95.08614	52.4
95.57692	3.2
96.08943	4.1
97.06582	3.7
97.10149	3.8
105.07041	16.8
107.08601	36.7
109.10162	100.0
110.10475	22.7
119.08583	39.5
119.09363	4.8
121.10146	32.4
123.08066	7.4
123.11721	23.6
127.11220	18.7
128.11555	6.7
131.08592	10.1
133.10168	24.8
135.08052	5.7
135.11685	22.9
137.09624	4.1
137.13313	8.3
145.10155	16.3
147.11705	21.2
148.12044	3.8
149.13289	9.2
151.14847	6.4
157.10150	7.9
159.11711	13.9
160.12059	3.6
161.13252	25.7
163.11177	3.7
163.14798	6.3
169.12259	5.3
171.11745	6.1
173.13280	16.9
175.11238	4.2
175.14857	14.5
177.16386	12.3
185.13243	5.0
187.14819	10.7
189.12732	10.7
189.16386	50.2
191.17937	20.9
199.14847	5.8
201.16391	12.8
203.18011	11.5
205.19560	4.8
215.14317	6.2
215.18106	5.7
217.15868	5.7
217.19548	9.7
219.17561	7.2
221.15347	3.4
223.16991	3.8
227.17850	3.7
233.15408	5.3
233.19070	17.3
241.19467	5.4
249.14923	15.0
249.18484	5.3
265.77106	3.6
277.18073	9.8
277.86972	3.2
352.05615	3.1
371.26959	3.6
393.35406	5.1
396.33493	6.0
403.33542	4.7
421.34781	22.8
422.34650	5.4
438.34335	15.9
439.35748	16.9
456.35629	8.9
481.36871	50.8
482.37134	5.7
499.37854	8.5
516.37518	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	516.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01883	1.2
55.05520	5.1
57.07095	1.5
62.00099	1.3
62.06091	100.0
67.05504	12.0
69.07077	9.5
69.15057	9.9
71.04976	1.7
79.05493	8.3
81.07063	18.4
82.07392	1.7
83.05002	1.5
83.08617	4.1
91.05489	7.2
93.07045	17.6
94.07354	1.4
95.04992	2.5
95.08610	28.3
97.06522	2.9
97.10179	2.6
99.08112	1.8
104.10781	1.5
105.07035	14.4
106.07383	1.8
107.04935	1.4
107.08593	27.1
108.08956	2.1
109.06551	2.1
109.10155	21.7
111.08095	1.6
111.11681	1.3
117.07045	2.0
119.08582	26.4
120.08953	1.8
121.06541	1.5
121.10146	28.0
122.10531	1.6
123.08087	3.5
123.11724	12.5
125.09679	2.2
129.06981	1.5
131.08614	5.2
133.07607	1.2
133.10141	25.5
134.10497	1.1
134.66034	1.1
135.08061	3.1
135.11678	12.0
137.06029	1.6
137.09645	1.5
137.13287	2.4
143.08586	2.6
144.90392	1.2
145.10095	11.5
147.08080	2.0
147.11690	12.2
148.11980	1.7
149.09644	3.2
149.13239	9.2
149.64758	1.1
157.10158	4.9
159.08080	1.5
159.11722	11.3
160.12151	1.3
161.09644	1.8
161.13255	10.5
163.11169	2.4
163.14818	7.7
163.16614	1.1
171.11719	4.5
173.13278	8.5
174.13623	1.2
175.14832	6.9
177.12759	1.3
177.16443	4.5
179.14281	1.6
181.12288	4.0
183.11668	2.9
185.13342	4.7
186.13797	1.6
187.11214	1.4
187.14799	6.9
188.15123	1.8
189.09084	2.0
189.12798	2.9
189.16380	11.8
190.09897	1.1
191.18011	1.6
197.13359	1.9
199.14873	3.5
201.12776	1.6
201.16373	6.0
203.17931	7.3
211.14722	1.3
213.16483	4.2
215.14468	1.1
215.18034	6.2
217.15996	2.2
217.19547	1.9
227.18045	2.7
229.19540	6.3
233.15405	1.1
233.19106	1.5
235.20544	1.2
239.18033	2.0
241.19583	1.9
243.21146	1.4
247.20522	1.8
267.21045	1.3
269.22647	1.5
273.22302	1.8
278.21243	1.7
281.22751	1.6
313.25256	1.3
335.18903	1.3
391.33664	3.3
393.27881	1.1
409.34662	5.0
438.31064	1.9
453.10648	1.4
480.38449	10.1
498.32913	2.0
498.39380	20.3
499.29807	1.8
516.31854	7.6
516.40515	52.5
517.31903	6.3
517.40967	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	516.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.9
57.07080	2.6
62.06090	9.8
66.92566	1.7
67.05511	15.2
69.03442	1.6
69.07053	10.3
79.05513	7.4
81.07065	26.1
83.08619	6.8
85.06552	1.9
89.59310	1.7
91.05483	11.7
93.07053	21.7
95.04974	8.3
95.08614	42.3
96.08967	2.1
97.06544	1.7
97.10196	2.4
98.22575	4.9
99.08131	3.0
105.07028	21.2
106.07366	1.9
107.08601	37.5
109.06528	4.0
109.10157	32.6
111.08047	2.2
111.11743	1.8
117.07040	4.7
119.08589	36.8
121.06491	1.5
121.10146	40.8
123.08089	2.4
123.11730	13.7
125.09608	2.3
131.08568	11.4
133.10135	49.3
134.10481	2.1
135.08055	3.3
135.11690	17.9
136.12059	1.9
137.09660	2.2
137.13202	3.6
139.07533	2.0
141.07033	1.6
142.07816	2.3
143.08595	5.6
144.09407	1.8
145.10141	22.7
147.08125	2.9
147.11711	21.3
149.09628	3.4
149.13269	8.1
149.85420	1.5
157.10150	7.7
159.11716	25.9
161.09631	2.4
161.13240	18.3
162.13660	2.1
163.14862	4.8
163.53664	1.6
169.10120	3.4
171.11743	8.5
173.13297	15.2
175.11224	2.3
175.14821	18.6
177.16399	3.9
183.11734	6.4
185.13261	5.0
187.11250	3.3
187.14815	12.3
189.16396	13.5
193.15971	2.6
195.11635	2.8
197.13287	5.3
199.14885	7.2
201.16452	18.0
203.14442	1.7
203.17967	20.9
205.15871	1.9
209.13185	3.0
211.14827	4.8
213.16400	6.9
215.14380	4.8
215.17978	19.8
217.15895	5.1
217.19513	7.2
225.16411	5.7
227.17863	5.0
229.15912	4.0
229.19579	8.6
239.18117	2.5
241.19495	3.3
243.21001	3.6
264.19495	8.4
276.19583	3.0
278.21124	4.8
281.22653	2.6
283.11771	1.8
290.21146	4.1
292.22742	2.5
295.24106	2.0
309.25873	6.0
313.25394	2.1
321.25690	3.4
372.29016	2.5
386.30521	3.1
391.33417	5.0
409.34644	7.5
419.33163	8.4
427.35690	7.9
480.38379	100.0
481.38705	7.3
498.39276	5.3
499.30325	3.6
516.33447	9.0
516.40625	43.7
517.31195	5.9
517.40607	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	517.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02375	0.7
67.78457	0.3
68.17814	0.3
69.03412	0.9
71.22437	0.5
79.05482	0.9
81.03409	0.3
83.09210	0.2
85.02897	0.9
87.40775	0.3
89.03916	5.6
95.04989	0.3
97.02885	0.6
107.04970	1.9
117.03388	7.6
117.04223	0.5
127.03896	0.5
132.39421	0.3
135.04420	14.2
145.02844	10.6
163.03908	100.0
164.04231	2.3
181.04961	0.5
236.70044	0.3
307.08145	0.5
325.09219	0.5
337.09171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.0
64.91920	0.7
69.03426	3.2
70.06580	2.8
70.87437	1.4
72.08167	1.7
79.05497	1.1
84.04510	0.9
84.08131	1.6
85.02909	7.9
86.09702	2.2
89.03923	5.5
97.02889	3.6
99.04455	1.0
99.94675	0.9
107.04941	1.7
109.02874	0.8
117.03394	8.2
127.03913	1.9
129.10300	0.8
133.20711	0.7
135.04411	14.8
145.02844	10.1
145.04970	2.5
163.03914	100.0
164.04239	2.4
180.73170	0.8
380.63495	0.7
453.19760	1.2
517.19806	3.0
517.65155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33643	0.3
66.32047	0.2
68.99714	0.3
69.03425	0.5
69.07037	0.3
69.11545	1.4
69.11948	0.6
69.39981	0.3
70.06583	0.3
72.93979	0.3
79.05508	0.3
81.03450	0.3
85.02898	0.5
86.09718	0.6
91.05478	0.6
93.07030	0.6
95.08614	0.4
105.07045	0.4
107.08601	0.4
111.00568	1.1
115.24886	0.3
118.41537	0.3
119.08608	0.6
121.06477	0.4
125.26353	0.3
127.03929	0.3
129.10152	0.3
131.44576	0.3
137.06010	0.9
145.10107	0.7
149.09476	0.3
153.01892	0.4
184.98567	0.3
185.06000	0.3
187.14876	0.3
201.05411	0.6
217.16051	0.5
229.11786	0.3
235.16945	0.3
249.14629	1.7
251.12517	2.0
253.53403	0.3
256.59741	0.3
277.65991	0.3
287.05463	5.8
288.05743	0.4
291.15649	0.8
293.13568	1.0
311.14645	7.8
335.14771	0.5
353.15689	5.5
355.11945	0.4
375.18179	0.5
377.15717	0.5
383.16782	4.6
395.16638	0.3
411.20065	0.4
429.17603	0.9
437.17825	6.0
439.15585	1.4
455.18820	3.6
456.19669	0.4
457.16779	3.4
473.19925	3.3
499.17831	25.0
500.17682	1.5
517.18921	100.0
518.19202	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	517.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03955	3.4
55.01875	3.3
63.02361	1.2
65.03931	1.3
66.04712	1.8
69.03422	0.7
69.58105	2.4
70.06583	1.0
72.08119	0.7
77.03950	0.8
78.04718	0.8
79.05499	13.6
81.03415	0.9
84.04478	0.8
84.08141	0.8
85.02920	1.1
86.09681	2.7
89.03924	9.6
90.04702	6.7
91.05492	4.2
92.02629	1.6
95.04981	4.9
98.22678	1.1
102.04683	0.9
103.05471	17.3
105.04504	1.9
105.07033	69.0
106.07365	1.5
107.04972	1.1
115.05462	19.6
115.32061	0.6
118.04166	12.1
128.14235	0.6
131.04965	3.8
132.05704	0.8
133.06497	57.8
134.06822	1.0
137.05952	1.0
143.04962	1.3
143.06041	6.2
149.05986	0.8
161.05984	100.0
162.06328	2.3
167.07072	0.8
177.05556	1.5
189.94997	0.6
193.08614	43.3
194.08960	1.8
204.68616	0.6
217.12318	0.7
229.28966	0.6
246.15164	0.6
273.15146	0.6
355.12067	0.7
464.75012	0.7
517.23163	3.2
531.60162	0.6
538.77350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50694	0.8
51.92764	0.8
55.05498	0.9
65.06925	0.9
67.05502	1.2
69.07068	1.2
69.17715	1.0
69.18104	6.3
79.05485	1.4
81.07050	2.6
83.04960	0.9
88.16003	0.7
89.97808	0.7
91.05473	2.0
92.84528	0.7
93.07034	2.7
95.04972	1.2
95.08603	5.0
97.06538	1.4
98.23444	1.0
105.07044	2.5
107.08588	3.5
109.10157	3.2
116.39597	0.9
119.08576	3.2
121.10161	4.5
123.11732	1.4
125.09598	0.9
131.08606	1.3
133.02577	1.4
133.10100	2.7
135.08104	1.3
135.11681	2.1
143.08575	1.4
145.10075	1.6
147.11653	1.6
149.09653	0.9
157.10141	1.8
159.11729	1.4
163.11171	0.8
169.10089	1.7
171.11702	1.9
173.13240	1.0
181.91107	0.8
187.14760	1.3
189.16414	1.0
231.13829	0.9
365.17065	3.0
376.67950	0.9
421.27243	1.0
437.24475	1.9
455.25598	1.5
481.23123	1.9
499.23926	4.8
499.31177	1.6
517.25519	100.0
518.25708	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	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01882	1.3
55.05503	6.4
65.03929	1.7
67.05504	16.3
69.03432	3.6
69.07071	9.7
69.30851	3.2
69.31279	7.0
79.05494	12.6
81.03432	2.2
81.07054	23.1
83.04987	2.8
83.08613	3.9
85.02940	2.1
91.05470	17.0
93.07043	21.3
95.04966	3.0
95.08607	53.0
97.10152	2.1
105.07030	32.7
107.04925	1.8
107.08598	26.2
109.06518	4.8
109.10165	16.7
111.08068	3.1
115.05486	1.9
116.15530	1.3
117.07009	13.3
117.19903	1.4
119.08578	58.1
121.06505	6.7
121.10138	15.7
123.08072	3.8
123.11724	4.7
125.05968	2.0
125.09616	2.1
127.03888	2.8
128.06195	2.1
129.06982	9.1
130.07779	3.4
131.08572	33.1
133.06479	3.2
133.10127	27.9
134.10620	2.1
135.08049	6.3
135.11684	13.6
137.05971	1.8
137.09625	6.1
141.06976	2.7
142.07771	3.9
143.08559	18.8
144.09309	2.1
145.06450	2.9
145.10117	47.0
147.08057	11.5
147.11667	14.5
149.09636	3.8
149.13239	6.8
151.07550	6.3
151.11174	1.8
155.08531	7.3
156.09348	5.7
157.10146	18.4
159.08112	3.6
159.11693	25.7
161.09624	7.8
161.13266	12.3
163.03929	7.8
163.07591	2.8
163.14795	8.0
165.09109	2.1
168.09351	2.5
169.10097	10.3
170.10904	3.1
171.08069	1.7
171.11679	16.5
173.09647	4.2
173.13245	20.6
175.07552	2.7
175.11211	4.0
175.14833	17.5
177.12749	4.5
177.16397	5.9
179.10727	2.0
179.14368	1.5
181.10130	2.7
182.10947	1.4
183.11676	9.0
185.09595	3.0
185.13275	15.8
187.11237	3.9
187.14822	100.0
188.15167	5.9
189.12753	9.4
189.16388	13.3
191.10661	1.9
191.14305	5.8
191.17970	1.6
193.12254	1.5
195.11708	3.1
197.08151	1.9
197.13258	9.2
199.11137	2.4
199.14815	19.8
201.12817	6.7
201.16362	23.3
203.14314	70.6
203.18115	3.9
204.14700	2.8
205.12350	1.7
205.15889	17.1
206.16429	1.4
207.11720	2.0
207.13716	2.1
209.13304	4.3
211.11353	1.9
211.14871	4.6
213.12810	3.2
213.16386	17.6
215.14328	6.3
215.17932	4.0
217.12279	2.7
217.15855	15.0
218.16216	1.4
219.13826	3.3
219.17523	2.2
223.14865	2.5
225.16318	6.7
227.17923	7.7
229.12228	3.3
229.15834	7.6
231.13795	4.5
231.17432	3.0
233.15402	5.1
237.16417	2.0
239.17979	4.2
241.15971	1.9
241.19374	2.6
243.13863	4.5
245.15376	4.6
247.16975	1.8
249.14909	2.8
251.17975	3.2
253.19563	3.2
255.21054	1.6
259.16992	2.6
261.14716	2.1
277.19727	1.6
293.22504	1.8
307.20657	1.5
307.24240	3.7
309.25842	5.5
310.26077	1.7
325.25378	4.3
327.17841	1.6
353.24652	6.0
371.26108	6.7
373.28918	2.2
389.28333	8.9
391.29755	6.7
399.26767	2.3
405.27863	8.5
407.29559	12.4
409.30936	3.9
417.27960	9.9
419.29398	4.4
423.28818	4.2
425.30524	4.7
435.28995	22.7
436.29120	3.1
437.30624	7.9
445.26993	2.3
451.28391	7.2
452.28741	2.1
453.30096	19.6
454.30527	2.0
455.31586	26.9
463.28577	6.4
469.23132	2.4
469.29520	37.2
470.29651	3.4
481.29276	8.3
487.30389	5.0
499.30548	22.6
500.30774	3.3
517.18927	1.6
517.31720	17.2
518.31714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01878	2.7
55.05516	8.1
57.07069	3.2
59.04979	2.5
60.14293	1.9
65.03918	3.8
67.05505	20.2
67.26464	1.7
69.03423	9.9
69.07069	12.5
70.67974	1.9
71.04974	3.9
71.30697	2.9
74.94189	1.7
75.29697	1.9
77.21138	1.8
79.05489	16.0
81.03424	6.8
81.07064	31.5
83.04973	4.7
83.08625	6.0
85.02930	5.5
91.05479	28.9
93.07040	37.9
95.04427	2.1
95.04975	7.3
95.08607	73.7
96.08955	1.8
97.06568	4.2
97.10171	2.6
99.79765	1.8
105.01842	3.1
105.07025	47.9
107.04919	2.3
107.08597	46.0
107.09290	3.5
109.02877	3.1
109.06533	7.7
109.10145	20.8
111.08111	4.1
115.05430	2.8
117.07034	15.3
119.08578	71.9
120.08930	3.7
121.06519	7.0
121.10152	23.4
123.08076	8.5
123.11720	8.3
125.09646	2.1
127.03930	5.7
128.06203	4.7
129.07040	11.4
129.85341	2.0
130.07784	3.8
131.08569	44.2
133.06483	3.8
133.10139	38.2
135.04532	2.0
135.08070	8.4
135.11697	14.1
137.05984	3.9
137.09618	4.9
137.13271	3.4
139.07562	2.7
141.07027	3.5
142.07800	6.8
143.08594	26.8
144.09312	3.0
145.10117	58.9
145.11249	3.0
146.10458	2.5
147.08040	13.2
147.11685	17.8
149.06046	4.6
149.09633	5.3
149.13220	9.3
151.07523	4.3
155.08569	8.6
156.09349	5.7
157.10120	24.8
158.10887	4.2
159.08069	3.8
159.11696	29.9
161.09647	8.5
161.13255	13.4
163.07538	4.1
163.11148	4.2
163.14842	7.8
165.12744	4.6
167.08559	3.8
168.09311	2.2
169.10080	13.0
170.10892	3.1
171.08131	2.6
171.11688	20.8
172.12544	3.1
173.09575	4.4
173.13248	25.0
175.11273	5.2
175.14827	18.2
177.09087	4.1
177.12714	5.1
177.16373	5.1
179.10710	2.8
179.14352	4.2
181.10141	4.9
182.11037	2.8
183.11687	13.2
185.13245	22.2
187.11221	5.6
187.14818	100.0
188.15181	5.6
189.12723	15.1
189.16359	13.3
191.10683	2.3
191.14355	5.5
195.11711	4.1
196.12593	2.4
197.07968	2.5
197.13240	8.9
198.14073	1.9
199.14804	26.5
201.12758	7.5
201.16386	25.9
202.16728	2.3
203.14319	68.6
203.18150	3.3
204.14661	3.9
205.12161	3.6
205.15865	16.6
207.13837	3.4
211.14821	5.6
213.12827	3.7
213.16348	21.0
215.14337	8.5
215.17973	5.2
217.12421	2.8
217.15877	18.3
219.13792	4.3
219.17390	2.1
223.14856	2.8
225.16449	5.2
227.14325	3.8
227.17947	5.9
229.12346	3.8
229.15863	6.4
231.13828	8.7
231.17493	4.5
233.15398	8.9
235.17009	2.9
237.16370	5.6
239.18098	4.7
241.19606	2.4
243.13715	4.1
243.17451	2.9
245.15381	7.9
247.17052	2.4
249.14746	2.9
251.25618	2.4
253.19640	3.7
259.16946	2.6
269.15457	1.9
307.24139	3.8
309.25772	8.4
325.25388	3.7
353.24789	6.7
371.25894	7.1
387.27106	2.4
389.28638	6.5
391.29950	7.4
405.27899	8.4
407.29663	16.6
409.30957	3.9
413.17957	3.8
417.27811	8.9
419.29465	2.9
423.29248	4.4
425.30850	4.3
433.27396	4.6
435.28909	20.0
436.28946	2.6
437.30585	4.3
451.28186	9.0
453.30023	19.0
454.30057	2.4
455.31610	26.6
456.31467	3.1
463.28268	5.9
469.29465	44.2
470.29388	4.3
481.29428	8.4
487.30414	4.3
499.30560	23.3
517.17816	3.0
517.31622	16.6
518.32556	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
54.71174	1.0
55.05518	8.0
61.00427	1.0
65.03949	2.5
67.05507	11.9
69.03435	3.3
69.07064	9.8
69.12820	4.1
69.13235	3.8
77.03936	1.7
79.05495	12.0
81.07058	22.8
83.08609	1.9
91.05484	20.0
93.07041	25.6
95.04993	3.2
95.08610	53.8
97.06500	1.7
97.10200	2.0
103.05498	2.5
105.07032	37.6
106.07346	1.0
107.04982	1.5
107.08597	32.8
109.02885	1.3
109.06531	4.9
109.10161	16.0
111.08063	1.6
113.02382	1.7
113.15878	1.2
115.05461	3.9
116.06255	1.3
117.07016	11.2
119.08582	61.8
119.82164	1.1
121.06516	8.1
121.10148	18.8
123.08074	4.2
123.11711	6.2
125.06004	1.8
127.03912	2.9
128.06236	3.4
129.06972	9.0
130.07773	2.6
131.08572	37.6
133.06508	2.6
133.10138	29.8
135.04379	1.1
135.08090	7.8
135.11703	12.6
137.05986	2.0
137.09627	5.6
137.13271	1.7
139.07617	1.3
141.06967	2.7
142.07777	6.2
143.08569	22.3
144.09377	3.2
145.06502	1.8
145.10130	52.6
146.10526	1.9
147.08064	11.7
147.11659	13.7
149.05968	3.9
149.09625	4.6
149.13258	5.5
151.07526	3.3
155.08557	7.3
156.09355	5.2
157.10136	23.5
158.10934	2.5
159.08075	4.6
159.11700	23.6
161.09625	8.7
161.13249	12.7
163.07529	3.5
163.11179	1.9
163.14836	8.5
165.08969	1.2
165.12785	1.3
168.09447	1.5
169.10147	8.8
170.10902	4.4
171.08089	2.6
171.11707	13.3
172.09010	1.2
172.12376	1.6
173.09676	5.4
173.13263	22.8
173.14622	1.9
175.07629	1.1
175.11252	4.2
175.14848	16.1
177.12796	4.6
177.16325	5.1
179.08548	1.1
179.10672	1.6
179.14351	2.2
181.10208	3.4
181.48459	1.1
182.10950	1.4
183.11707	10.8
184.12471	1.5
185.09641	2.6
185.13255	20.1
187.11279	5.9
187.14824	100.0
188.15155	4.6
189.09117	2.0
189.12732	10.8
189.14229	1.0
189.14810	1.5
189.16342	11.0
191.10747	1.8
191.14293	8.3
193.10194	1.1
193.12268	1.5
195.11710	5.2
197.08168	2.0
197.13234	6.3
199.11183	4.1
199.14827	20.9
199.16512	1.8
200.15341	2.1
201.12697	5.8
201.16385	24.7
202.16754	1.7
203.11101	2.0
203.14323	72.1
203.18065	2.3
204.14697	3.3
205.12271	2.8
205.15889	15.4
207.11882	1.7
207.13782	2.3
209.13286	4.5
211.11032	1.7
211.14761	5.6
213.12866	2.5
213.16373	19.6
215.14323	6.7
215.17978	4.4
217.12267	3.3
217.15923	12.6
219.13882	4.5
219.17500	3.8
221.11610	1.8
223.14931	2.2
225.16368	5.9
227.14311	3.8
227.17958	6.6
229.12291	3.0
229.15897	6.0
231.13849	5.3
231.17464	3.9
233.15390	5.8
237.16417	2.0
239.17972	3.6
241.19569	4.3
243.13808	2.9
243.17445	2.3
245.15298	5.2
247.17116	3.3
249.14923	3.4
251.18190	1.9
253.19588	3.8
257.19009	1.7
261.14819	2.3
265.19684	2.1
267.17694	1.3
267.21078	1.7
269.18884	1.6
281.22665	1.7
293.22665	1.8
307.24158	3.7
309.25760	7.2
325.21860	1.6
325.25327	4.6
335.23380	1.4
353.24802	6.8
361.21317	1.3
371.25809	5.3
373.28952	1.4
379.26123	1.6
389.28314	9.0
391.29965	4.8
399.27063	1.4
405.27692	7.4
407.29660	14.0
408.30008	1.5
409.30975	2.7
417.27850	9.4
419.29272	3.6
423.29007	3.0
425.25858	1.4
425.30505	4.1
433.27496	2.0
435.28970	22.6
436.29208	2.4
437.30655	7.0
445.27222	2.4
451.28265	8.3
452.28647	1.5
453.29932	18.1
454.30573	1.3
455.31583	25.0
456.31799	3.4
463.28445	7.8
464.28513	1.4
469.29510	45.1
470.29739	4.9
481.29633	10.8
487.30496	4.5
499.30588	19.4
500.31204	2.6
517.31604	21.1
518.31744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05514	9.5
59.37981	2.1
60.96435	1.6
65.03927	3.0
65.33091	1.4
67.05502	21.9
69.03432	5.8
69.07065	12.1
70.52969	5.0
76.49693	2.1
79.05496	17.2
81.07057	30.3
83.04987	3.6
83.08635	5.5
85.02901	2.0
85.06567	1.6
91.05473	28.8
93.07046	33.7
95.04977	4.4
95.08610	64.7
97.06519	3.4
97.10153	3.3
97.53738	1.5
103.05495	2.5
105.07033	49.8
107.08597	42.5
107.09193	1.0
109.02879	2.3
109.06535	5.8
109.10142	18.3
111.08064	2.7
113.02342	2.1
115.05480	4.6
116.06208	2.8
117.07052	12.1
119.08577	80.6
120.08913	2.1
121.06513	9.6
121.10143	24.7
123.08087	3.1
123.11706	6.4
125.05965	4.7
125.09647	1.9
127.03938	4.0
128.06230	3.8
129.07025	13.1
130.07782	3.0
131.08566	47.1
132.08919	1.8
133.06523	4.9
133.10130	35.4
135.08052	11.0
135.11713	12.6
137.05934	2.3
137.09627	7.4
137.13234	3.5
141.06973	3.8
142.07794	7.7
143.08571	28.5
144.09378	4.2
145.06479	1.8
145.10124	67.3
146.10454	2.8
147.08041	15.1
147.11682	15.0
149.05919	3.8
149.09608	3.5
149.13290	6.9
151.07571	4.5
153.07077	1.7
155.07375	1.5
155.08568	10.8
156.09331	7.3
157.10133	28.4
158.10898	2.4
159.08072	6.0
159.11688	33.8
160.08809	1.9
161.09595	11.0
161.13269	14.2
163.07547	5.0
163.14828	10.1
167.08533	2.4
168.09390	2.6
169.10095	12.1
170.10901	6.0
171.08092	3.1
171.11714	16.5
172.12431	2.2
173.09604	4.4
173.13268	23.1
175.07610	1.7
175.11238	4.0
175.14824	17.3
177.09102	2.2
177.12747	4.3
177.16373	4.3
179.14331	2.8
181.10120	4.6
181.21924	1.7
182.11002	1.9
183.11717	13.2
185.09630	1.9
185.13251	21.5
187.11220	3.7
187.14818	100.0
188.15134	3.1
189.09012	2.2
189.12769	12.4
189.16412	14.7
191.10678	2.2
191.14381	6.2
193.10078	2.3
195.11742	4.5
197.08102	3.4
197.13260	9.2
199.11148	2.7
199.14822	25.6
200.15225	1.6
201.12772	6.6
201.16399	24.5
203.14316	72.1
204.14650	2.7
205.15858	15.3
207.11687	1.8
209.13235	5.2
211.14876	7.6
212.06602	1.7
213.12755	5.0
213.16368	19.6
215.10838	1.8
215.14381	7.2
215.17860	3.8
217.12329	3.9
217.15919	13.9
218.16302	1.8
219.13914	4.3
223.14693	3.2
225.12723	1.7
225.16400	5.7
227.18019	6.6
229.12263	3.4
229.15952	5.9
229.19585	2.1
231.13855	7.1
231.17505	6.7
233.15393	6.2
237.16409	5.0
239.17952	5.9
241.19545	3.9
243.13806	3.0
243.17462	2.0
245.15358	6.2
247.13109	2.0
251.18098	3.8
253.19563	2.0
257.19000	1.9
259.17093	2.3
261.14816	2.9
267.21124	3.6
307.24265	3.5
309.25708	6.8
325.25049	3.8
353.24765	3.5
371.25922	6.0
373.28873	4.0
389.28406	6.3
391.29953	5.5
399.27292	2.1
405.27780	6.4
407.29572	12.5
409.31131	3.1
415.26392	2.2
417.27829	8.7
419.29245	3.8
423.29117	1.8
425.31067	3.6
433.27484	2.1
435.28851	19.4
437.30707	7.5
445.27316	3.2
451.28467	5.7
453.30072	19.1
455.31619	26.3
463.28339	4.8
469.29520	39.4
470.29706	3.7
471.30670	1.8
481.29599	9.4
482.30154	3.1
487.30276	4.1
499.30457	20.2
517.31506	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	517.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.01864	2.3
55.05510	8.8
55.52954	1.4
57.03463	1.4
57.07050	1.7
65.03932	3.6
67.05504	15.3
69.03436	4.6
69.07069	11.5
70.91588	3.1
73.23476	1.6
79.05489	15.4
81.03403	3.7
81.07060	23.9
83.04991	3.6
83.08607	4.9
88.33710	1.3
91.05482	22.8
91.37003	1.3
93.07048	29.2
95.04982	4.5
95.08611	57.3
97.06532	2.8
97.10176	1.8
103.05452	2.2
105.01880	2.1
105.07037	39.2
107.04986	1.5
107.08597	42.3
109.02865	2.9
109.06514	6.0
109.10161	16.0
111.04401	2.2
111.08064	3.5
113.02361	1.5
116.06303	1.7
117.06994	11.7
119.08582	65.4
121.06504	7.0
121.10129	18.5
123.08060	6.0
123.11710	4.3
125.04998	1.3
125.05967	4.0
127.03908	6.0
128.06252	5.3
129.07001	11.4
130.07785	2.1
131.08578	41.4
133.06487	4.0
133.10136	31.6
135.08044	7.4
135.11717	11.5
137.05954	3.7
137.09621	5.2
137.13261	2.1
141.07013	2.8
142.07782	5.3
143.08560	23.6
144.09372	3.8
145.06505	4.1
145.10130	55.6
147.08060	8.9
147.11668	15.2
149.05959	1.7
149.09628	4.2
149.13237	6.2
151.07529	4.8
153.05553	1.6
153.06897	1.5
155.08543	7.6
156.09354	7.0
157.10141	25.3
158.10861	2.3
159.08058	4.0
159.11687	28.8
161.09636	8.4
161.13254	13.4
163.03931	8.0
163.07516	3.4
163.14789	8.1
167.08673	2.0
168.09404	1.5
169.10139	7.3
170.10912	4.3
171.08054	2.3
171.11678	17.4
173.09608	4.9
173.13274	25.9
175.11200	6.2
175.14833	17.6
177.12779	5.1
177.16423	4.6
179.08531	1.4
179.14285	2.2
183.11720	12.7
184.12404	2.6
185.09563	1.8
185.13264	18.3
187.11310	3.6
187.14827	100.0
188.15102	3.8
189.09067	3.2
189.12790	13.4
189.16391	13.1
191.14299	10.4
193.12262	1.9
195.11639	5.0
197.08104	3.3
197.13251	9.0
199.11070	2.9
199.14821	21.7
201.12744	6.3
201.16399	22.4
203.14326	69.4
204.14624	3.2
205.12163	2.0
205.15883	15.7
207.13788	1.7
207.43130	1.5
209.13268	3.1
211.11118	1.8
211.14833	5.8
213.12779	3.1
213.16359	19.6
215.14426	7.4
215.17960	3.8
217.12270	2.3
217.15875	17.5
219.13788	4.3
223.14783	2.5
225.12958	1.5
225.16380	4.7
227.14261	3.9
227.17900	6.2
229.12340	1.7
229.15929	4.8
231.13792	6.3
231.17517	3.2
233.15355	7.5
235.09450	1.6
235.16846	1.8
237.16388	5.2
239.17934	5.7
241.19556	3.1
243.13860	4.5
245.15350	5.7
247.16953	2.5
249.14812	3.4
251.17957	4.4
253.19482	4.7
257.19040	2.3
259.17007	2.6
261.14795	2.1
265.19519	1.6
267.21045	3.0
277.19617	2.0
279.21121	2.4
286.61029	1.8
307.24191	3.8
309.25784	7.2
325.25320	4.4
353.24753	5.6
363.26654	1.7
371.25986	4.4
381.27768	1.9
382.16681	1.4
389.28464	6.5
391.29849	5.1
397.26950	1.9
405.27905	6.0
407.29587	12.6
409.31097	3.2
417.27875	10.4
419.29395	3.3
423.28778	3.5
425.30942	3.2
433.27365	2.9
435.28973	21.9
437.30466	6.5
438.30978	1.7
445.27570	2.1
451.28409	6.2
453.30054	16.9
455.31604	24.2
463.28519	6.4
469.29523	37.6
470.29944	3.6
481.29419	9.2
487.30420	2.4
499.30591	20.5
517.17065	5.5
517.32031	17.1
540.89386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01864	1.4
55.05518	9.5
56.38110	0.9
57.07081	2.9
59.05001	1.4
65.03951	2.4
67.05500	13.5
69.03427	2.6
69.07079	10.3
69.07779	6.5
70.06577	1.1
71.04992	1.8
77.03925	1.3
79.05495	14.3
81.03410	1.8
81.07053	20.1
83.04977	2.4
83.08627	5.8
85.02909	3.0
85.06542	1.9
87.00855	1.0
91.05482	24.0
93.07047	25.4
95.04980	3.1
95.08610	33.4
97.06535	3.0
97.10207	1.5
98.23370	2.1
99.08125	4.6
103.05473	3.1
105.07031	52.4
106.07361	1.3
107.04954	2.3
107.08595	39.4
109.02896	1.1
109.06527	5.3
109.10156	23.5
110.10493	0.9
111.00592	1.3
111.04467	1.0
111.08046	5.1
115.05467	3.0
116.06244	1.7
117.07015	11.9
119.04975	1.4
119.08582	76.0
120.08138	1.1
120.08932	2.1
121.06520	9.5
121.10143	23.5
122.03699	1.0
123.08070	7.3
123.11722	5.0
125.05997	2.0
125.09646	1.1
127.03938	1.9
128.06236	3.5
129.07008	9.3
130.07799	4.8
131.08574	45.2
132.08896	1.5
133.06519	2.4
133.10135	42.3
134.10515	1.8
135.08061	10.0
135.11700	9.6
137.05975	4.4
137.09613	6.3
137.13240	1.7
139.07549	1.5
139.11230	1.1
141.07024	3.9
142.07793	8.4
143.08559	27.2
143.09659	1.7
144.09343	3.7
145.06462	2.9
145.10129	78.7
146.10455	2.0
147.07002	1.3
147.08051	7.2
147.11681	19.9
149.06018	1.7
149.09654	4.1
149.13277	3.5
151.07564	1.7
151.11261	1.6
151.14825	1.3
153.07037	1.9
153.09074	1.2
155.08553	10.0
156.09344	9.9
157.10130	35.1
158.10979	5.1
159.08073	3.4
159.11694	51.7
160.12129	1.4
161.05986	2.5
161.09616	9.4
161.10703	0.8
161.13255	21.5
163.07549	5.1
163.11208	6.6
163.14854	4.5
165.07083	1.2
165.09225	1.1
167.07118	1.8
167.08661	1.9
168.09338	2.6
169.10130	13.9
170.10925	14.5
171.08006	1.2
171.11694	26.5
172.12393	3.7
173.05974	1.1
173.09641	3.8
173.13263	41.7
174.13795	2.0
175.07512	3.0
175.11273	5.7
175.14836	22.3
175.16129	0.8
177.05478	1.7
177.09193	1.4
177.12801	4.2
177.16412	6.4
179.14311	1.5
181.08624	1.1
181.10118	4.5
182.10928	2.5
183.11693	37.7
184.12274	3.4
185.09695	2.6
185.13266	53.0
186.13737	3.8
187.07574	1.7
187.11243	4.0
187.14825	66.7
188.15210	2.8
189.09195	2.2
189.12718	10.0
189.16376	9.9
191.10684	1.7
191.14308	8.7
193.10187	1.8
193.12097	1.3
193.15894	1.2
194.10831	1.8
195.11739	6.6
196.12512	2.1
197.13255	12.6
199.11259	2.8
199.14815	33.2
200.15221	2.1
201.05551	3.0
201.12749	5.7
201.16386	35.6
202.16713	2.0
203.10739	1.4
203.14304	13.3
203.17963	3.2
205.12273	4.0
205.15871	7.7
207.11792	2.3
207.13783	1.8
209.13293	6.0
211.11252	1.4
211.14803	14.9
212.15491	1.4
213.12839	4.9
213.16382	13.2
214.16676	1.4
215.10672	1.1
215.14374	6.5
215.18008	4.2
217.12337	3.4
217.15863	24.5
219.13895	4.2
219.17470	1.9
221.13304	2.2
223.14851	4.0
225.12766	1.4
225.16374	6.2
227.14314	5.7
227.17857	6.7
229.12303	1.2
229.15863	7.8
229.19537	2.6
231.13803	7.8
231.17508	3.0
233.13370	1.4
233.15451	4.1
234.13921	1.0
235.13135	1.4
235.15047	1.4
235.16985	2.2
237.16527	5.2
239.14282	2.2
239.18025	4.6
241.15938	1.4
241.19554	3.3
243.17470	1.6
245.15356	11.2
247.17030	3.7
249.14470	1.9
249.16718	1.5
251.12608	2.4
251.17973	2.3
253.19640	3.5
255.17500	1.8
255.21115	2.2
257.15509	2.0
257.18988	1.7
265.19510	3.0
267.17416	1.3
267.21219	3.4
269.19153	1.4
269.22656	3.2
275.16608	1.1
277.19531	1.6
283.20709	1.3
291.15698	1.2
291.21301	1.1
295.16986	1.1
295.20663	1.1
299.20276	1.1
305.22659	1.2
307.24249	2.5
311.14713	7.9
325.10895	1.2
337.21420	1.2
349.21872	2.4
351.23254	1.4
353.15698	5.5
355.12173	1.3
367.22644	1.0
369.24240	1.4
371.27319	1.7
373.29004	4.1
375.30646	2.5
383.16684	5.4
389.28445	9.0
391.29990	8.2
393.31693	1.8
395.17029	1.5
399.26929	1.3
401.28128	2.2
407.29626	8.1
409.31024	3.4
417.27875	13.6
419.29471	9.5
425.30576	1.5
435.28989	26.6
436.29337	3.1
437.18024	6.0
437.24490	1.3
437.30319	9.7
438.31131	1.2
445.27359	3.9
453.30045	15.6
455.18765	4.5
455.31662	7.2
457.16827	3.4
458.17139	1.0
463.28400	13.4
471.30905	2.9
473.19867	2.9
481.29550	19.4
482.29929	1.8
485.16040	1.2
499.17984	29.3
499.30472	35.1
500.18350	2.2
500.30655	2.9
517.18890	100.0
517.31348	5.5
518.19244	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03953	4.0
55.05516	9.2
57.03442	1.8
57.07070	2.1
65.03944	2.9
65.26172	1.1
66.41114	1.0
67.05507	17.6
69.03439	6.1
69.07068	11.7
69.29842	8.0
71.04987	1.7
73.02928	2.4
78.30862	1.0
79.05498	17.1
81.03408	3.0
81.07062	25.9
83.04985	3.1
83.08636	2.3
85.02910	4.9
85.06529	1.9
86.53836	1.0
91.05486	24.7
93.07048	27.3
95.04971	5.0
95.08613	60.1
96.08954	2.5
97.02900	2.7
97.06541	4.0
97.10167	3.3
103.05481	1.8
105.03400	2.6
105.04505	1.5
105.07031	44.6
105.68215	1.1
107.04977	2.5
107.08604	38.3
108.08925	1.4
109.06543	7.2
109.10163	18.9
111.04424	2.2
111.08096	2.9
113.02370	1.9
115.05449	3.4
116.06239	1.7
117.07028	13.3
119.04960	1.7
119.08587	70.5
120.08884	1.5
121.06503	9.5
121.10148	19.8
123.04418	2.4
123.08064	6.0
123.11728	5.5
125.06007	3.0
127.03902	6.3
128.06212	4.7
129.07002	9.9
130.07788	2.3
131.08575	37.9
133.06471	4.0
133.10141	33.7
135.08040	8.8
135.11699	14.8
137.05994	3.9
137.09616	6.9
137.13255	2.5
141.06984	4.1
142.07777	6.1
143.08575	22.3
143.37984	1.1
144.09326	3.8
145.04955	2.0
145.06511	1.6
145.10136	60.9
146.10417	1.7
147.08028	12.8
147.11688	19.6
149.06015	3.5
149.09584	3.7
149.13263	9.2
151.07547	5.1
151.11177	1.4
155.07399	1.2
155.08554	8.5
155.10486	1.4
156.09341	6.6
157.10132	26.5
158.10822	3.4
159.08084	6.5
159.11705	29.7
160.08879	1.4
160.12254	1.6
161.09621	8.8
161.13260	12.8
163.03918	9.6
163.07558	5.0
163.11168	3.2
163.14825	8.5
165.09067	1.6
167.08553	2.6
168.09322	1.7
169.10095	8.5
170.10873	4.8
171.08080	1.3
171.11714	18.1
172.12392	2.1
173.09619	5.5
173.13271	24.5
174.13698	1.5
175.07556	2.7
175.11220	6.0
175.14841	21.9
176.15201	1.6
177.09145	1.3
177.12762	4.0
177.16422	4.6
179.08556	1.2
179.10690	2.5
179.14348	2.2
180.09367	1.7
181.10138	3.5
182.10878	3.1
183.11713	12.3
185.09683	3.1
185.13271	24.6
187.11223	4.9
187.14835	100.0
188.15173	4.0
189.09081	3.6
189.12772	11.8
189.16408	13.3
191.10696	3.1
191.14319	7.2
193.10226	1.8
193.12346	1.9
195.11682	4.5
197.08051	2.5
197.13261	8.4
199.11133	3.3
199.14838	25.4
201.12753	5.4
201.16396	22.9
202.16743	1.3
203.14322	77.9
203.17963	3.1
204.14690	2.7
205.12273	2.8
205.15889	17.9
207.11821	2.8
207.13794	2.8
209.13278	3.5
211.11177	1.8
211.14806	4.9
213.12746	4.5
213.16374	22.7
214.16682	1.4
215.10789	1.3
215.14326	9.7
215.17950	4.1
217.12291	4.5
217.15869	15.2
219.13762	5.0
219.17378	2.7
221.13354	1.8
221.15359	1.3
223.14813	3.5
225.16383	5.5
227.14349	3.9
227.17931	7.6
229.12213	1.7
229.15907	7.9
231.13792	7.0
231.17273	5.3
233.15341	7.8
235.13197	1.6
235.16905	1.3
237.16391	3.0
238.32986	1.1
239.17969	6.5
241.15901	1.4
241.19545	4.4
243.13849	3.5
243.17409	1.5
245.15308	6.1
247.16885	2.6
249.14915	3.2
251.18076	2.5
253.15919	1.5
253.19467	4.2
255.17509	2.0
257.19043	1.7
261.14761	2.9
263.16278	1.5
265.19455	2.4
267.21094	2.0
268.85818	1.2
279.21280	1.7
281.22543	1.7
297.22198	1.5
303.33270	1.2
307.24219	2.3
309.22488	1.4
309.25735	6.9
323.20007	1.4
325.25266	4.8
341.13522	1.4
344.22876	1.2
353.24902	5.9
371.25882	6.7
373.28879	1.8
379.26443	1.2
387.26746	2.5
389.28391	9.2
391.30316	5.7
397.27109	1.5
399.27020	3.1
405.27811	7.8
407.29517	12.5
409.30963	4.6
417.27856	10.3
419.29324	3.9
423.28867	3.1
425.25952	1.6
425.30511	3.8
427.26154	1.2
433.27258	3.3
435.29004	23.2
436.28998	2.4
437.30756	7.6
445.27426	1.9
451.28400	8.6
452.29358	1.3
453.30066	16.8
455.25674	2.2
455.31583	28.5
456.31702	4.3
463.28305	7.4
469.29495	43.8
469.36093	2.3
470.29614	4.0
471.31110	1.6
481.29529	9.1
487.30399	4.4
499.30542	24.4
500.30719	1.9
517.31549	14.1
518.32104	1.8
524.05609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01871	1.6
55.05515	27.0
57.03442	8.1
57.07080	10.6
61.02917	4.1
65.03933	1.6
67.05506	85.8
69.03427	2.9
69.06728	2.0
69.07072	30.7
71.04979	3.0
71.08626	4.6
73.02905	2.0
79.05493	28.9
81.03436	2.5
81.07059	100.0
83.04977	3.6
83.08625	19.9
85.02901	5.2
85.10154	3.2
86.09698	1.8
91.03972	2.2
91.05479	19.4
93.07046	23.7
94.61856	1.2
95.04981	2.7
95.08608	84.3
95.91688	1.5
97.02895	5.0
97.06541	7.2
97.10172	12.0
99.08085	4.6
102.75158	1.2
105.07031	14.2
107.08593	22.8
109.06509	3.3
109.09441	2.7
109.10159	38.3
109.10909	1.9
111.08072	4.9
111.11706	3.2
113.00024	17.2
113.09641	1.6
117.07008	2.6
119.08584	16.1
121.10143	22.3
123.08054	5.5
123.11707	19.0
125.09671	3.0
125.13267	1.6
127.03803	1.6
127.11232	1.8
129.07050	1.5
131.08583	3.2
133.10120	17.4
133.11043	1.8
135.08063	4.2
135.11696	13.6
137.09576	1.9
137.13251	10.7
141.12794	2.8
145.10132	2.4
147.11679	12.0
149.13275	12.1
151.11194	1.8
151.14819	5.0
155.14304	3.6
159.11748	2.5
161.13281	16.7
163.14804	11.8
165.16393	8.4
167.14314	2.2
175.14813	10.1
177.16403	2.7
178.02417	1.5
179.14267	8.4
179.17950	5.3
181.15871	1.5
184.07388	2.9
187.03703	2.8
187.07869	1.5
189.16377	5.1
191.18024	1.8
193.15904	2.4
203.17924	2.4
205.15820	1.5
207.17326	1.3
217.19429	2.0
244.80151	1.3
245.22644	42.9
246.22989	2.0
263.23709	48.7
264.23981	1.9
289.21555	2.3
331.26248	8.0
337.27365	47.6
338.27637	3.2
355.28394	3.0
387.29065	1.3
405.30023	11.5
406.30133	1.6
423.24188	1.4
449.58911	1.3
481.31250	1.5
499.32794	2.9
538.92957	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.8
57.03448	7.9
57.07080	9.2
65.03951	4.7
67.05506	69.6
69.03431	7.1
69.07076	27.3
69.21239	19.8
71.05022	4.3
79.05489	26.4
81.03413	5.4
81.07058	86.1
82.07388	4.1
83.08208	3.6
83.08615	19.6
85.06561	7.1
85.10210	5.0
88.25895	4.1
91.05477	25.5
93.07050	54.9
95.08614	100.0
96.08954	5.6
97.06554	11.4
97.10187	11.7
99.08110	6.0
104.10784	3.9
105.07040	38.7
107.04983	3.5
107.08601	45.4
109.06560	9.1
109.10161	50.4
110.40567	3.0
111.08083	8.9
117.07005	7.7
119.08582	50.9
121.06498	6.3
121.10149	52.2
123.08079	10.2
123.11723	33.6
124.03973	4.9
124.12113	3.9
125.09712	5.4
128.06285	4.6
129.06990	4.5
131.08578	16.9
133.10146	41.3
133.11098	5.7
135.08057	7.4
135.11710	29.2
136.12012	3.6
137.09618	5.4
137.13278	13.5
143.08528	4.6
145.10155	22.5
147.08061	5.5
147.11690	31.3
148.11937	3.1
149.09644	7.3
149.13220	17.3
151.11317	4.0
151.14908	6.6
157.10109	8.5
159.08116	5.5
159.11725	13.5
161.09676	3.7
161.13248	21.5
163.11189	7.5
163.14854	9.7
165.12749	6.2
166.14874	3.5
167.14404	5.9
171.11774	8.5
173.13246	9.6
175.11272	7.4
175.14825	15.7
177.12793	4.4
177.16405	7.8
179.14404	4.7
181.10345	4.5
183.11784	5.1
185.13274	9.3
187.11296	3.2
187.14841	14.6
189.12758	12.8
189.16403	21.3
191.14221	3.4
191.17941	7.4
197.13300	6.5
199.14877	9.4
201.16440	4.8
203.14323	6.6
203.17970	6.8
205.15938	4.4
213.16455	5.9
215.14452	4.1
215.17949	4.3
217.12277	7.8
217.15891	5.1
217.19437	4.2
219.17366	3.5
227.18086	3.2
235.13393	4.2
245.22592	28.0
257.19125	3.5
263.23709	34.0
289.21692	3.9
315.62811	3.9
337.27350	22.2
357.24350	3.7
393.31793	4.9
421.31229	10.8
439.32056	14.0
453.33838	4.1
457.32999	10.2
481.32910	5.6
499.34393	16.2
517.34961	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26287	3.7
53.03949	8.0
53.14980	4.2
55.05512	13.7
57.03444	5.8
57.07085	6.2
65.03961	5.7
67.05507	43.1
69.07069	38.3
69.17397	10.1
69.17807	28.9
74.17387	3.8
79.05492	26.3
81.07063	81.2
83.08629	18.2
91.05485	22.0
93.07046	58.8
94.07389	6.2
95.04997	6.6
95.08611	100.0
96.08915	6.6
97.06546	6.7
97.10175	10.0
99.08086	5.3
105.07034	48.5
107.08597	68.0
108.08970	6.0
109.06531	4.6
109.10156	59.9
109.78132	4.3
111.08083	8.1
113.09628	4.8
117.07045	11.3
119.08582	74.5
121.10149	90.1
122.10470	6.1
123.08073	5.4
123.11725	30.9
125.09663	8.0
129.06979	6.1
131.08566	23.3
133.10124	52.0
135.11690	53.0
137.09724	5.5
137.13283	18.0
139.11211	5.4
143.08572	8.2
145.10106	35.1
147.11700	42.3
149.13281	25.0
151.11259	5.5
151.14890	7.6
157.10168	9.3
159.11722	31.5
161.09720	4.9
161.13295	16.6
163.14842	15.4
165.12744	4.8
171.11664	6.3
173.13297	31.5
175.14871	13.3
177.16411	5.7
181.12227	21.3
185.13237	5.9
187.14906	15.4
189.16382	62.3
191.17929	26.7
199.14847	10.1
201.16415	5.0
203.17986	12.9
205.19580	8.6
207.17482	17.5
213.16402	8.7
215.17882	24.6
233.19016	19.6
249.18581	11.2
269.22559	7.0
356.22763	4.3
393.35223	5.8
421.34641	6.9
423.32852	6.2
425.34460	7.0
439.35489	14.6
441.34146	4.6
498.35571	4.8
499.37836	22.9
517.39081	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	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.05494	15.7
57.03438	3.1
57.07077	6.4
63.88139	2.8
67.05515	26.8
69.03435	4.5
69.07067	43.4
70.44912	4.1
70.45245	5.8
71.08605	3.4
71.16228	3.1
79.05490	15.2
81.07063	56.8
83.08611	10.7
85.06535	5.0
91.05488	11.9
93.07040	38.9
95.04931	3.9
95.08607	100.0
96.08932	7.3
97.06485	4.4
97.10191	6.7
105.07024	34.9
107.08591	49.6
108.08900	5.3
109.06533	5.1
109.10160	51.2
109.28776	3.3
111.11739	11.8
113.09606	4.8
117.07032	4.8
119.08583	55.8
121.10151	84.6
123.08056	5.2
123.11704	38.5
124.08332	3.3
125.09592	4.1
131.08563	12.4
133.10127	28.5
135.11716	34.5
137.09589	4.8
137.13274	23.0
139.07468	5.4
145.10085	17.4
147.11690	35.9
148.11971	3.2
149.13248	18.2
151.14861	4.9
153.09106	9.1
157.10081	3.8
159.11693	11.2
161.13239	10.0
163.11169	5.1
163.14836	10.5
165.12764	30.6
171.11714	9.2
172.26012	3.7
173.13287	12.2
175.14801	8.2
177.16437	6.0
178.73367	3.4
181.12193	4.4
187.14799	15.5
189.16393	36.9
190.16716	4.2
191.14377	3.6
191.17947	43.0
192.18303	4.4
201.16370	7.5
203.17978	5.6
205.19484	8.4
209.18993	6.1
213.16266	3.9
215.17892	4.7
231.17307	4.4
249.18471	33.2
271.85150	3.9
291.70816	3.9
329.24503	5.1
393.35205	21.9
439.35373	13.4
457.36298	11.8
471.38458	5.2
499.38028	18.5
517.31842	7.4
517.38892	9.7
528.38312	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
57.18216	8.4
65.94456	7.3
67.05505	38.6
69.07063	22.9
71.32962	13.3
74.51284	8.3
74.57711	7.8
75.11060	7.7
78.64697	7.8
78.80994	8.2
79.05492	13.9
79.15990	8.9
79.36537	8.1
81.07054	64.4
83.08633	13.7
86.20869	8.5
91.05501	17.1
93.07045	28.7
95.08607	88.5
95.32175	7.5
97.10228	7.8
104.69380	7.9
105.07051	32.9
107.08608	25.6
109.10156	37.2
119.08604	20.6
121.10148	100.0
123.11710	37.5
131.08572	12.0
135.11719	14.5
137.13278	28.3
145.10132	11.7
147.11711	38.3
149.13255	12.0
159.11752	10.5
165.12761	81.8
349.60001	9.5
497.22580	9.5
517.39392	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	517.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.4
57.03453	2.2
57.07071	5.2
66.20988	1.4
67.05505	14.4
69.07074	17.0
69.13615	2.5
69.14025	8.7
74.51429	1.3
79.05493	5.1
79.06562	1.4
81.07059	34.7
83.08603	7.2
91.05499	6.9
93.07048	15.6
95.08612	59.5
97.06621	1.6
97.10169	4.2
105.07032	25.2
107.08595	19.6
109.10165	29.9
111.11715	5.1
117.06994	2.0
119.08591	19.7
121.10147	100.0
122.10503	2.1
123.08118	2.6
123.11707	28.6
131.08571	5.9
133.07594	1.4
133.10141	7.5
135.11696	13.3
137.13254	29.2
139.11201	2.4
145.10114	6.0
147.11687	43.6
148.12004	1.8
149.13245	13.5
151.14789	4.3
157.10208	1.5
159.11662	7.6
160.69662	1.5
161.13280	7.2
163.14821	4.8
165.12770	69.9
166.13057	3.1
167.14294	3.0
171.11606	2.2
173.11971	2.0
173.13210	8.9
175.14871	6.2
177.16380	4.0
181.12346	2.3
185.13235	2.0
187.14796	5.0
189.16365	3.8
191.17998	2.8
201.16418	1.9
203.18018	2.3
205.19528	6.6
215.18001	2.2
219.13838	3.2
227.17947	2.7
229.19484	2.2
231.21103	2.0
233.15485	4.3
275.20111	4.1
289.21622	2.3
297.22446	1.5
315.23315	1.7
329.24823	2.5
335.22357	2.0
393.35202	2.7
421.34482	1.7
439.36005	7.8
440.36111	2.3
441.34137	2.1
453.36984	2.2
457.36578	6.6
499.37732	5.6
500.37894	1.7
517.38959	9.1
541.08307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Rubianol c
Peak:m/z	Relative Intensity
53.03936	3.8
54.82958	3.5
55.05508	17.5
55.66743	3.2
57.07082	4.0
62.69081	3.3
65.03929	4.2
67.05508	28.1
68.01092	3.9
69.07077	33.5
70.57059	9.1
71.04984	24.4
73.06529	3.8
79.05499	18.0
81.07065	55.8
82.71394	3.4
83.04974	3.8
83.08629	13.1
89.62948	3.1
91.05499	22.3
93.07047	60.4
95.04970	3.8
95.08611	79.8
96.04465	3.4
97.06509	9.2
97.10181	4.5
97.36152	2.9
99.04441	4.5
99.08080	7.2
101.06056	4.0
105.07032	43.5
107.08602	100.0
108.08969	4.2
109.06525	5.0
109.10171	55.6
111.08070	5.0
115.07541	3.8
117.07044	6.3
119.08571	48.0
121.06529	4.1
121.10147	69.0
122.10471	7.2
123.08086	8.7
123.11698	40.1
125.09651	4.8
127.07507	4.9
127.11159	29.5
127.27355	3.2
131.08566	10.4
133.10141	49.8
135.11691	67.8
137.09625	8.3
137.13248	18.4
143.08534	4.7
145.10104	19.8
147.11697	39.4
149.09587	5.9
149.13246	67.2
151.11292	3.8
153.12767	20.8
157.10127	9.6
159.11723	22.0
160.82858	3.7
161.13225	27.3
163.11176	5.1
163.14833	15.8
165.12733	8.3
167.14423	6.1
169.10146	4.7
171.11696	7.5
173.13263	16.2
175.11177	6.2
175.14769	16.6
177.16415	10.6
183.11665	4.4
185.13252	8.0
187.14790	14.0
189.16393	24.3
191.17929	26.6
199.14891	8.0
201.16415	13.6
203.18021	7.3
211.14883	6.4
213.16403	8.2
215.14313	4.6
215.18018	9.9
217.15955	4.0
225.16467	6.7
227.17935	6.4
229.19579	4.2
233.15367	7.3
235.16920	7.9
241.15967	3.4
249.18570	4.2
255.21097	4.7
261.80847	4.1
289.21671	5.0
291.23193	5.5
294.90616	3.7
299.23651	7.1
317.24768	10.0
329.28329	5.4
332.02747	3.6
421.34567	11.3
439.35831	29.4
457.37378	21.6
499.37897	35.4
517.33575	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	517.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.7
55.05514	17.2
57.07066	7.8
65.03931	2.7
67.05179	1.9
67.05505	20.7
69.03425	2.7
69.07070	26.1
69.72101	9.3
70.02135	1.7
71.04988	2.4
79.05495	19.1
81.07059	50.0
83.04961	2.2
83.08632	15.1
85.06549	8.4
91.05499	19.9
93.07056	46.7
95.04963	6.1
95.08608	75.2
96.08939	2.1
97.06525	10.5
97.10172	4.9
99.08101	23.5
104.06248	2.0
105.07036	37.4
107.08602	67.3
109.06502	5.5
109.10162	66.8
109.10918	3.4
110.10534	2.0
111.08093	21.2
113.06032	2.1
114.40315	1.7
117.07025	6.1
119.08586	84.1
120.08894	3.4
121.06480	2.7
121.10148	53.3
122.10508	2.3
123.08077	7.9
123.11716	30.1
125.09631	3.7
127.07571	5.2
127.11199	7.5
131.08563	12.4
133.09106	2.5
133.10136	54.9
135.08076	6.3
135.11700	63.9
137.09616	7.6
137.13266	10.4
139.11212	6.2
142.07849	2.0
143.08560	7.0
144.09343	2.9
145.10139	29.6
147.08072	1.9
147.10606	3.4
147.11707	43.9
148.12000	2.3
149.09624	5.0
149.13261	25.8
151.11194	7.0
153.12704	3.5
155.10690	2.8
156.09331	3.5
157.10117	13.7
159.11697	30.6
160.12372	1.8
161.09668	2.5
161.13258	22.5
163.11182	6.9
163.14867	10.2
165.12790	4.9
165.16403	2.3
167.14314	2.2
169.10088	2.6
171.11748	11.0
172.12270	2.5
173.13246	17.8
175.11252	4.7
175.14827	21.3
177.12770	6.4
177.16391	6.7
179.14363	2.6
183.11728	2.8
183.13690	2.1
185.13245	9.3
187.14816	22.2
189.12769	6.5
189.16386	100.0
190.16719	3.8
191.14301	4.2
191.17999	19.3
193.15787	8.3
195.13774	3.6
197.13289	3.3
199.14874	13.4
201.16396	12.9
203.14398	3.9
203.17932	14.2
205.15909	3.9
205.19568	3.9
207.17430	8.8
211.14857	3.1
213.16365	11.4
215.18010	8.2
217.15912	14.7
217.19598	2.3
219.17442	2.9
221.15410	1.9
225.16452	3.4
225.18559	3.1
227.17967	7.5
229.15843	2.4
229.19527	5.3
231.17545	8.1
233.15378	3.6
233.19002	4.6
235.16936	11.8
241.19441	4.5
243.21132	2.4
245.19005	2.6
249.18549	7.3
255.21152	4.5
257.22647	2.9
267.21152	2.9
269.22519	2.2
273.22147	19.5
281.22733	2.2
283.24188	6.4
285.22040	3.8
291.23126	3.0
295.24216	3.1
333.24075	4.0
403.33261	1.7
409.30899	2.1
421.35123	11.9
422.35300	2.2
439.35922	21.9
440.35822	2.8
457.37100	4.1
463.35526	3.6
481.37109	10.7
499.38025	23.8
500.37949	3.1
517.32416	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
55.01884	2.5
55.05512	24.9
57.03449	6.3
57.07090	5.3
62.06044	1.4
63.03074	1.4
65.03951	3.2
67.05508	52.7
68.05845	1.6
69.03449	2.4
69.07071	30.2
69.07413	1.9
71.04992	3.2
71.08644	2.4
77.57030	1.4
79.05498	37.0
80.05852	1.6
81.07063	71.1
82.07414	2.6
83.05008	5.5
83.08627	13.3
85.06577	5.0
91.05484	36.7
92.05860	1.8
93.07044	50.7
94.07430	2.2
94.87743	1.3
95.04999	5.6
95.08613	66.4
96.08957	1.8
97.06521	8.0
97.10181	7.8
99.08123	3.5
104.10806	2.3
105.07041	49.6
106.07355	1.7
107.08603	45.1
108.08967	3.9
109.06577	6.3
109.10164	33.7
109.10901	1.9
110.10515	3.3
111.08121	4.5
111.11762	1.7
115.05473	3.0
117.07018	12.2
119.08584	55.4
120.08967	3.8
121.06532	4.4
121.10146	46.1
122.10488	3.4
123.08089	7.9
123.11716	18.6
124.12079	3.6
125.06008	1.6
125.09684	4.2
127.07655	1.5
129.07002	7.5
129.94048	1.6
131.08586	29.8
131.09482	2.3
133.10141	46.5
134.10492	1.6
135.08119	5.8
135.11705	28.0
135.12654	1.6
136.12070	3.2
137.09628	3.8
137.13329	5.1
139.07565	1.7
139.11230	3.3
142.07806	2.1
143.08551	11.9
145.06532	1.8
145.10130	36.0
146.10545	2.3
147.08127	2.5
147.11699	26.3
148.12071	3.6
149.09714	6.4
149.13252	16.5
151.07631	1.9
151.11223	3.3
151.14886	2.6
153.09178	2.4
155.08632	4.1
156.09406	3.0
157.10152	13.2
158.10901	2.0
159.08174	3.0
159.11694	26.0
159.12935	1.7
161.09729	5.2
161.13284	19.0
162.13542	1.5
163.11290	3.8
163.14937	5.6
165.12831	2.6
167.10780	1.7
167.14394	2.3
169.10228	4.4
171.11699	15.3
173.09825	2.3
173.13300	22.1
173.14664	2.3
174.13652	1.9
175.11261	3.7
175.14861	12.4
177.12849	3.8
177.16466	5.6
179.14366	2.0
181.12196	1.5
183.11797	5.8
185.13239	10.9
187.11351	2.1
187.14821	12.6
189.12885	3.4
189.16393	18.8
190.16757	2.6
191.14474	4.2
191.18114	3.8
197.13374	5.6
199.11279	1.8
199.14848	8.4
201.12929	2.0
201.16418	11.6
203.14340	3.3
203.18092	4.1
205.15909	2.5
207.17581	4.4
211.15048	3.0
213.12982	2.1
213.16486	5.1
215.14566	2.3
215.18033	4.2
217.12466	1.6
217.15967	4.6
217.19617	3.0
219.17595	3.4
221.15413	1.8
223.15097	1.9
225.16556	2.3
227.14497	2.3
227.18214	4.4
229.16071	2.1
229.19705	1.7
231.13878	2.0
231.17433	2.1
233.15439	3.7
235.17146	1.7
241.17792	2.3
241.19853	3.3
243.17534	2.8
245.15431	1.5
245.19228	1.8
247.17191	1.8
249.18608	1.8
253.19656	2.1
257.19205	1.9
259.20715	5.2
269.19174	2.4
273.22263	2.7
275.20389	2.1
277.18546	1.4
281.22488	1.6
287.23865	2.8
289.21808	2.4
297.22339	1.6
299.23801	2.5
301.22012	2.3
301.25262	2.1
313.25427	3.4
317.21027	1.7
325.25256	1.8
327.27032	2.4
333.24518	3.1
393.31873	2.5
397.30939	1.5
405.30420	2.1
407.33301	3.9
411.32809	1.7
421.31375	4.9
425.34210	15.8
439.31857	7.3
443.35352	9.7
453.33954	1.9
457.33774	2.1
471.34894	3.2
481.35611	2.4
499.38907	17.6
500.38522	3.5
516.97101	1.5
517.39154	100.0
518.39575	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64295	1.2
53.03949	1.5
55.01881	2.4
55.05515	23.4
57.03450	6.3
57.07087	4.4
61.93733	1.4
63.19556	1.3
65.03936	2.1
65.87664	1.1
67.05512	41.2
69.07076	25.8
71.05016	3.9
71.32114	2.2
79.05498	31.8
81.07063	52.8
82.07399	2.4
83.01328	1.3
83.05002	3.0
83.08624	11.1
85.06546	2.3
91.05489	30.6
93.07051	40.8
95.04977	4.2
95.08617	49.3
96.08971	2.7
97.06556	4.8
97.10206	6.0
99.08114	2.4
105.04527	2.4
105.07037	37.6
106.07419	1.9
107.08605	35.6
108.08915	2.1
109.06573	3.6
109.10167	24.5
109.10816	2.0
110.10490	1.5
111.08102	5.4
113.09621	1.5
117.07027	10.7
119.08582	40.9
121.06559	4.0
121.10152	36.1
121.11001	1.8
122.10531	1.9
123.08127	5.9
123.11696	12.3
125.09669	2.6
129.07059	4.0
131.08569	23.9
131.09480	1.7
133.10139	32.2
135.08081	3.4
135.11682	17.5
135.12488	1.5
137.09669	4.1
137.13304	5.9
139.07541	1.8
139.11165	2.1
143.08591	6.6
145.10132	24.7
147.08095	2.4
147.11696	23.6
149.09711	4.6
149.13249	12.4
151.11203	2.1
155.08591	3.2
157.10135	10.2
159.11700	19.7
159.12802	1.7
160.12244	2.3
161.09642	2.7
161.13258	15.2
163.11209	2.4
163.14841	6.6
165.12813	4.3
169.10190	6.0
171.11699	9.4
173.09692	1.3
173.13272	13.8
173.14394	1.4
175.11244	2.4
175.14861	8.8
176.15340	1.5
177.12836	2.4
177.16438	2.8
181.12323	1.9
183.11794	5.5
185.09949	1.3
185.13292	8.3
187.11255	1.5
187.14783	9.3
189.12791	2.4
189.16415	11.8
190.16782	2.1
191.14430	2.6
191.17981	4.7
192.18370	1.5
195.11757	1.7
197.13356	2.8
199.14909	5.6
201.16510	5.6
202.16721	1.6
203.18057	4.0
205.16025	3.7
209.13437	1.6
209.15471	1.8
211.14897	3.6
213.14804	2.0
213.16521	3.2
215.18001	3.5
217.15884	2.1
217.19579	1.7
219.13739	1.6
219.17522	3.3
225.16470	2.4
226.48460	1.3
227.18114	1.9
231.17458	2.1
233.15462	2.1
241.17905	2.9
245.15372	1.6
245.19144	1.8
249.14919	1.9
250.27765	1.3
253.19821	1.3
259.20679	5.9
269.23022	1.4
271.20663	2.3
273.22214	2.4
275.20239	2.4
277.21881	2.1
285.22293	2.1
287.23706	2.5
289.21573	2.2
299.23730	2.1
301.25513	2.3
303.23071	1.8
313.25385	2.6
315.23331	2.0
317.24811	2.0
319.22769	1.9
327.26987	1.9
329.25000	1.4
331.25946	1.3
333.24500	3.2
347.26102	2.8
405.30139	3.6
407.33249	5.1
407.41776	1.5
411.32590	2.3
419.31610	1.6
421.30621	2.7
425.34311	16.6
439.32275	4.2
440.32297	2.2
443.35168	10.5
447.31293	1.6
457.33258	4.9
463.83173	1.5
499.38272	20.6
500.38348	2.4
517.39056	100.0
518.39386	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	517.3896
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05507	21.1
58.85307	4.2
66.26402	4.7
67.05497	27.1
69.07065	38.8
79.05497	17.9
81.07056	67.9
82.91557	4.4
83.04980	7.3
83.08613	16.3
91.05475	20.5
93.07052	56.1
93.55518	4.2
95.04931	5.4
95.08607	100.0
95.09162	8.2
96.08932	7.4
97.06531	13.6
97.10184	9.2
98.23447	8.0
99.08089	6.6
105.07034	41.7
106.07372	7.8
107.08601	68.0
108.08927	9.0
109.06540	8.2
109.10143	65.9
109.10828	7.0
110.10492	8.3
111.08059	8.0
111.11732	5.6
119.08587	68.1
120.08920	6.9
121.10147	81.0
122.10458	10.9
123.08034	14.1
123.11704	43.3
131.08591	21.4
133.10130	62.3
134.10472	6.0
134.44322	4.6
135.08061	8.5
135.11699	55.0
136.12062	6.2
137.09683	6.1
137.13278	19.3
139.07556	8.0
139.11105	4.9
143.08521	7.0
145.10127	26.7
146.10542	6.5
147.08026	7.6
147.11682	43.1
148.12064	10.3
149.09627	8.3
149.13243	29.2
151.11346	5.4
157.10133	15.5
157.58046	4.6
159.11700	26.4
160.12074	5.2
161.09593	8.7
161.13249	30.9
162.13512	6.8
163.14816	6.5
165.12794	7.1
171.11655	11.3
173.09753	6.9
173.13277	23.2
175.11269	5.2
175.14825	16.5
185.13319	10.8
187.14844	20.8
189.12750	16.1
189.16362	45.7
190.13091	6.0
190.16661	7.5
191.17952	55.5
192.18347	5.8
193.12219	6.1
199.14838	5.6
201.12633	5.6
201.16389	19.4
203.14255	8.6
203.17953	12.8
205.15837	5.1
205.19563	10.5
207.17432	5.4
213.16415	8.1
215.17932	8.5
217.15823	8.5
219.14008	5.2
229.19337	7.0
230.20093	5.5
231.13773	15.6
233.15321	8.3
233.19022	5.9
249.14809	28.9
249.18523	13.2
250.15317	5.2
257.19241	6.1
336.20114	5.7
421.35025	7.1
422.31058	7.1
423.32254	9.6
439.31131	10.5
439.36310	11.2
440.32095	5.8
457.36868	8.5
482.33505	6.4
499.37772	23.4
517.33533	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01884	1.3
57.03427	1.8
61.02933	4.7
69.03433	8.5
69.30633	1.8
69.31041	1.9
71.04985	0.9
73.02910	1.1
81.03419	4.5
84.08149	0.7
85.02911	33.2
86.09688	0.8
89.03938	0.8
91.03938	1.0
93.40190	0.7
97.02898	10.8
98.23301	1.1
99.04458	2.1
103.05438	0.8
109.02892	2.5
112.51488	0.6
117.03445	0.7
121.02855	1.4
123.04451	2.3
127.03925	5.3
131.04929	1.4
135.04410	2.4
145.02890	1.2
145.04973	6.3
147.04416	13.3
149.02322	4.7
149.06026	1.5
151.03893	1.0
157.02882	0.9
159.04462	1.9
163.03923	15.6
164.04242	1.8
173.06001	0.8
175.03929	1.8
177.01846	7.1
177.05438	3.2
180.08708	1.7
187.03912	3.5
189.05487	1.5
193.04990	0.9
203.03409	100.0
204.03767	3.6
205.04997	7.5
213.05539	1.0
215.03381	8.7
217.04999	1.1
229.04987	2.0
231.02902	14.1
233.04442	7.0
241.05167	0.9
244.06450	0.7
259.06088	1.6
261.03961	10.8
273.25131	0.7
279.05011	21.3
280.05460	1.2
291.05014	25.0
292.05417	1.5
303.05154	1.6
314.05920	0.6
321.06091	8.2
339.07138	28.9
340.07358	1.1
356.09845	1.7
357.08469	0.8
518.14984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.3
55.05489	0.6
65.03938	1.0
69.02921	0.6
69.03358	2.6
69.07068	0.6
70.06590	1.1
72.08157	4.2
73.02923	0.3
81.03416	0.4
83.04999	0.3
84.04528	0.6
84.08124	0.6
85.02904	1.3
86.09715	1.9
88.07652	0.4
88.61312	0.2
91.05478	6.2
91.60151	0.2
93.61866	0.2
97.02889	0.5
98.84693	0.3
106.02914	0.6
111.70156	0.3
115.07558	1.0
119.04948	18.4
120.05279	0.4
123.04462	0.3
127.03923	0.5
129.01807	0.3
136.07480	0.3
147.04407	100.0
148.04768	2.5
161.07663	0.3
163.03973	0.3
163.22733	0.3
172.27107	0.2
189.03954	0.6
203.03339	1.4
207.04941	0.4
286.17722	0.3
291.05017	0.3
339.07166	0.5
339.10806	0.9
482.09619	0.3
518.19000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.9
55.01863	10.7
55.05508	9.6
57.03431	3.9
58.99591	14.6
61.02927	5.5
65.03933	6.9
66.36304	2.6
67.05493	14.3
67.77321	2.4
69.03430	29.1
69.07041	2.5
69.11934	2.5
69.12235	22.2
70.02954	6.9
70.06591	9.1
71.04995	100.0
72.08160	6.9
74.06072	3.3
79.05489	31.9
81.03414	13.8
81.07054	11.3
83.04999	6.0
83.71978	2.7
84.04507	3.7
84.08148	14.0
85.01141	4.5
85.02428	3.9
85.02903	43.8
85.06513	6.6
86.00654	9.1
86.09704	25.8
86.99046	5.8
87.00832	10.8
87.04469	3.7
88.03989	54.9
91.05477	30.7
93.07035	9.8
94.06562	4.8
95.04970	11.8
95.08681	3.8
97.01108	11.2
97.02924	15.4
97.06528	7.1
100.02233	4.2
103.05464	10.6
104.07121	3.5
105.01842	9.4
105.04529	3.8
105.07024	34.0
107.04962	13.3
107.08564	4.7
109.02886	11.7
109.06506	5.3
111.02699	5.9
111.04426	4.5
115.05445	15.7
116.06300	2.7
117.07013	13.4
118.06557	4.9
119.04958	10.7
119.08593	10.2
120.08100	5.9
121.06516	5.4
123.02654	8.6
123.04437	7.7
127.03923	14.6
128.06210	31.8
129.07030	27.6
130.06523	6.5
130.07762	3.4
131.04970	4.1
131.07336	5.3
131.08563	6.9
132.01173	7.8
132.05659	5.0
132.08099	6.6
133.06496	13.8
133.10130	5.5
135.02641	6.3
137.04210	15.9
138.03687	4.8
141.07014	15.3
142.07776	10.3
143.04918	4.1
143.08540	19.9
143.11800	6.3
144.08075	10.7
145.05025	4.4
145.06450	14.9
145.08978	3.6
145.10162	6.8
146.09540	3.9
147.02650	8.0
147.04413	12.7
147.08092	5.0
148.03430	5.4
149.03072	4.7
149.04114	13.8
150.03761	6.1
151.02144	4.2
153.06990	4.8
154.07782	3.1
155.07335	3.0
155.08571	8.5
156.08095	6.0
156.09351	8.9
157.06500	9.8
157.10110	8.3
158.09723	5.4
161.04335	13.7
161.05980	29.8
162.03691	3.8
163.05779	5.7
164.05312	8.8
165.07014	8.5
166.07890	3.6
167.07059	89.8
167.08517	7.3
169.06526	3.7
170.09637	9.6
171.08063	8.9
171.11536	5.3
172.11255	5.3
173.04443	5.0
173.06000	20.7
174.03712	3.6
175.05786	7.6
175.07390	3.0
175.11275	3.5
177.05560	4.1
179.08607	5.2
182.00233	3.1
182.09627	5.7
185.06023	6.3
187.05843	7.0
187.14487	3.7
188.05263	5.3
189.03738	5.7
189.07304	4.8
190.06805	3.4
191.07002	7.7
191.08620	4.5
193.08583	9.8
196.11134	4.9
198.10368	4.4
198.12823	3.6
199.11234	11.3
202.06795	4.2
203.05275	5.3
203.06987	3.7
203.08815	6.1
204.08366	7.5
210.05807	18.5
211.06508	3.0
213.07277	3.8
215.08736	3.8
215.10876	2.7
215.13135	9.6
216.08307	4.0
217.12268	13.8
217.15735	4.1
217.42796	2.9
219.08066	5.7
221.09805	4.8
231.05003	3.5
231.08252	5.4
233.10040	14.1
236.07506	4.4
242.08585	3.4
247.07468	6.7
248.11130	5.9
249.09254	3.4
250.06383	5.7
250.08916	49.4
251.11046	20.6
260.07709	3.2
264.07697	3.4
267.10059	3.1
271.06052	8.2
274.12537	5.7
275.06982	5.3
295.09668	5.5
307.09705	11.3
310.14706	6.4
312.09949	6.7
320.13135	80.8
327.12259	12.1
330.16464	3.6
338.14105	26.0
339.12183	5.1
360.35049	3.5
369.34360	3.0
401.95905	3.1
471.31161	4.0
539.98792	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	518.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
53.04195	0.8
53.32937	0.8
55.01873	4.8
56.84477	0.9
57.03439	10.0
59.04992	1.0
61.02938	9.8
65.03889	0.9
67.05485	2.2
69.03435	20.6
69.09386	8.2
69.09706	2.0
71.01331	1.6
71.05000	1.5
73.02921	40.7
79.05500	11.4
81.03438	4.5
81.07064	1.2
83.04992	1.5
85.02911	53.9
85.06547	13.9
87.04459	2.6
88.63624	0.9
91.03954	1.9
91.05485	4.3
93.07019	2.7
95.04963	3.6
95.08614	1.3
97.02898	31.8
97.06490	1.2
98.22615	1.6
99.04449	2.9
101.02345	1.2
103.03921	2.4
105.03395	31.3
105.07014	1.5
107.04974	1.0
107.08603	1.8
109.02876	5.6
109.06518	2.3
111.08128	1.0
115.03937	19.9
119.04944	2.5
119.08577	2.2
121.06527	1.7
123.04438	47.9
124.04787	1.5
127.03922	16.5
128.06197	1.2
131.08615	1.4
133.04971	22.7
135.08080	1.3
145.04973	25.4
145.10117	1.2
150.07660	1.5
153.01797	3.8
159.00812	0.9
163.03876	2.5
163.06026	13.0
163.07397	1.8
175.14781	2.0
181.08565	1.0
182.13237	0.9
187.14845	1.3
189.09109	13.2
193.05022	1.1
199.09682	3.8
217.10722	1.1
217.15906	2.8
219.06528	1.2
223.06039	1.9
229.10707	2.5
241.07047	4.0
259.08118	4.2
271.06021	100.0
285.09808	1.4
295.10178	1.1
314.45044	1.0
384.58655	1.0
513.81110	0.9
519.10791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.4
55.05504	4.7
63.25959	2.2
67.05514	5.7
67.15160	2.1
69.03444	5.7
69.07069	3.8
70.06599	6.4
70.33570	4.4
70.34427	2.1
71.05000	3.3
72.08166	2.8
76.58201	1.9
79.05505	6.9
80.16400	2.0
81.03407	5.3
81.07048	10.6
85.02918	7.7
86.09719	7.6
91.05461	11.7
93.07055	12.9
95.05000	3.5
95.08607	14.1
97.02914	5.1
99.68974	2.0
100.80155	1.9
103.05495	2.7
103.20206	2.6
104.07103	2.9
105.01871	2.8
105.07040	21.8
107.04996	2.8
107.08607	9.7
109.02879	4.1
109.06523	2.2
109.10173	7.0
111.08080	4.3
117.07001	4.1
119.04955	2.5
119.08576	19.7
120.08157	3.0
121.10161	8.4
123.08086	7.2
127.03915	3.9
128.06342	2.5
129.07010	3.5
131.08595	7.9
133.10127	21.3
136.26645	2.6
137.05998	14.3
142.07791	3.1
143.08594	7.2
145.10120	9.2
147.04507	2.6
147.08086	2.3
147.11710	8.5
157.10138	7.9
159.11685	14.2
161.05957	3.9
161.09756	2.8
161.13239	4.3
163.07620	2.9
167.07054	4.0
171.11609	3.1
173.13312	2.9
174.13591	2.7
175.14844	3.4
177.05492	3.3
184.23901	2.0
187.07668	2.1
187.14853	5.2
189.16382	13.7
193.08426	2.3
199.14828	9.7
210.33070	2.5
217.15880	100.0
218.16302	3.2
235.17072	5.6
338.11481	2.3
339.12418	2.7
356.12064	3.5
456.21576	2.4
477.95731	2.3
500.17358	3.3
518.17194	11.3
518.29376	2.9
519.19922	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	518.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40139	1.6
51.43877	1.5
55.05515	4.4
57.03434	2.2
57.07076	1.6
62.32954	1.5
67.05505	6.3
69.03448	4.6
69.07066	5.3
70.06599	3.0
71.04974	1.8
72.08156	1.6
79.05473	8.4
81.07046	14.8
83.04990	3.4
85.02896	8.2
86.09713	1.7
87.00835	1.9
91.05470	12.6
93.07056	17.3
95.04975	3.2
95.08602	23.0
97.02876	2.0
97.06500	2.3
105.01871	1.7
105.07028	34.0
106.07349	1.7
107.08595	17.8
108.08960	1.7
109.06495	2.4
109.10149	10.9
111.08047	2.2
113.06028	3.7
117.07029	5.9
119.08578	35.8
120.08903	3.3
121.06517	2.1
121.10138	17.2
122.03650	1.8
122.10459	1.8
123.08091	6.5
125.06026	1.8
127.03934	3.6
129.07024	5.0
131.08614	9.7
132.08884	2.2
133.10136	33.8
134.10463	2.1
135.08035	2.9
135.11710	1.9
137.05988	5.7
142.07773	2.3
143.08611	7.9
144.09195	1.7
145.10106	15.2
146.10480	5.5
147.08092	3.4
147.11678	13.3
149.09579	1.8
149.13351	1.8
155.08595	1.8
157.10130	14.3
158.10507	1.7
159.11707	24.4
160.12067	4.7
161.05980	3.1
161.09641	6.4
161.13275	9.9
167.07065	2.4
169.10141	2.4
171.11708	4.1
173.13306	7.3
175.07628	1.8
175.11145	2.6
175.14818	11.9
176.15143	1.5
177.12799	3.0
183.11697	2.6
184.12079	3.8
185.13310	5.6
186.13634	4.6
187.14815	10.1
188.15225	4.4
189.16379	35.3
197.13145	2.0
199.14832	14.3
200.15140	2.0
201.16455	4.3
202.16638	2.0
203.14275	1.9
211.14926	4.0
217.15874	100.0
218.16298	5.8
230.19875	1.7
233.15559	2.0
233.19199	1.6
235.16949	13.2
277.08560	1.6
289.08633	2.1
312.14996	2.4
321.11392	3.1
327.12314	1.9
339.12350	2.4
371.82266	2.0
436.29263	3.7
438.18118	2.8
474.20212	1.9
482.29568	2.1
500.18311	15.6
500.30267	3.7
510.76480	1.8
518.19269	52.8
519.19409	5.0
519.31305	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01894	3.9
55.05518	9.9
57.03442	3.9
65.03953	4.3
67.05509	30.2
69.03435	16.3
69.07071	7.7
69.12346	11.0
69.12778	9.0
71.04990	3.9
73.02917	3.3
75.04498	3.6
79.05498	23.6
81.03421	11.2
81.07059	100.0
82.07413	3.9
83.05009	2.9
83.08634	3.9
85.02909	28.0
87.00821	15.8
91.05465	17.8
93.07051	54.4
94.07397	2.7
95.04975	5.8
95.08612	61.5
96.08945	3.7
97.02909	16.1
97.03441	2.2
97.06535	10.2
99.04438	5.4
103.05469	2.9
105.01876	25.2
105.07027	31.9
107.05006	3.2
107.08604	26.6
109.02866	7.1
109.06535	8.6
109.10172	27.8
111.04474	4.3
111.08086	7.5
111.23029	2.4
117.07055	4.0
119.04910	2.9
119.08611	29.3
120.08910	3.9
121.06498	6.1
121.10148	42.4
121.10912	4.3
122.03661	4.0
123.08087	7.7
123.11713	21.8
125.09646	6.3
126.05484	2.8
127.03912	26.4
128.06216	4.8
129.07013	3.8
131.04933	3.9
131.08551	6.1
133.10120	25.6
134.10483	2.9
135.08104	6.1
135.11720	14.7
136.74683	2.6
137.05972	39.7
137.09642	4.3
137.13260	4.9
139.11177	7.2
143.08559	6.7
145.04991	12.9
145.10124	11.8
147.08073	6.2
147.11725	15.9
149.13243	3.1
157.10150	8.6
159.02878	6.1
159.11685	10.5
161.06021	3.5
161.09633	10.4
161.13268	32.2
165.09181	3.8
169.10088	2.8
171.11728	3.1
175.07561	5.2
175.11230	5.2
175.14830	9.7
179.10706	4.4
183.11687	3.6
187.07513	3.8
187.14804	5.2
189.12778	4.5
189.16414	31.6
197.13185	3.0
199.14827	7.9
203.05301	3.6
203.14316	5.9
204.14758	6.2
211.07413	2.7
217.15892	28.0
231.04993	7.8
235.16945	25.9
271.05988	24.1
280.34592	2.8
347.13129	2.8
365.13800	4.5
426.31000	3.3
436.29483	2.6
443.14752	2.9
448.15637	4.3
487.17447	3.0
518.20392	10.7
518.37195	8.8
519.20050	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00457	0.1
55.05513	0.2
56.05033	0.6
57.03439	0.1
58.06627	0.5
58.89450	0.1
58.98895	0.1
59.07387	0.2
60.08166	6.4
61.08511	0.1
67.05500	0.5
69.07066	0.2
70.06590	0.1
71.06979	0.2
71.07375	3.9
79.05495	0.3
81.07062	0.4
86.09707	33.3
87.10053	0.4
91.05478	0.2
93.07053	0.4
95.08602	0.4
98.98468	4.2
104.10741	3.5
104.11275	0.1
105.07060	0.1
107.08582	0.3
111.25424	0.1
125.00005	24.4
126.00361	0.2
131.08600	0.1
143.01047	0.1
167.72009	0.1
183.70844	0.1
184.07344	100.0
184.43355	0.1
185.07683	1.6
212.78139	0.1
258.11044	0.2
327.98975	0.1
335.25418	0.1
500.31467	0.8
518.32452	0.7
523.35437	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10061	0.3
52.11910	0.3
54.70445	0.3
55.05500	1.2
56.05027	1.3
57.03432	0.6
58.06589	1.4
60.08166	17.6
62.06081	0.8
64.19341	0.3
67.05505	2.2
69.07062	0.8
69.54961	1.2
71.07379	8.3
72.07613	0.3
72.65299	0.2
72.66345	0.2
79.05492	2.2
81.07069	2.1
83.08610	0.4
86.09708	54.9
87.10031	0.7
91.05498	1.0
93.07057	2.1
95.08615	1.5
98.98463	6.0
104.10745	100.0
105.07025	0.6
105.10409	0.4
105.11072	1.2
107.08575	0.7
113.38802	0.3
119.08604	0.4
121.10150	0.7
125.00006	30.9
133.10158	0.5
135.11673	0.3
142.53398	0.4
143.01138	0.3
163.01558	0.7
181.02666	0.4
184.07347	98.2
185.07681	1.3
258.10962	1.5
289.70123	0.3
335.25742	1.0
360.61005	0.3
433.99713	0.3
441.24280	0.5
500.31366	5.8
501.32263	0.3
518.32471	17.9
518.40100	0.6
519.32318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	15.4
57.07071	3.2
67.05509	13.5
69.03450	3.9
69.07078	18.3
70.98291	2.6
71.04986	7.4
71.20728	2.8
79.05482	15.3
81.07067	38.2
83.08633	6.9
85.06564	13.6
91.05493	15.5
93.07053	42.2
95.04923	4.8
95.08616	70.0
96.08990	3.3
97.06532	3.8
98.23409	4.3
99.08086	3.0
103.65379	3.2
105.07044	45.3
107.08604	67.3
109.06522	5.5
109.10154	37.2
111.08111	4.9
119.08584	68.0
120.08949	4.7
121.06551	4.7
121.10156	49.1
123.08103	6.0
123.11703	18.7
129.07048	3.3
131.08591	10.5
133.09204	6.1
133.10143	75.0
135.08122	4.2
135.11707	66.8
137.09639	6.3
137.13287	8.7
139.07549	5.0
142.07785	4.4
145.10190	14.7
147.11694	37.5
149.09647	5.0
149.13268	25.0
151.11208	6.8
157.10144	7.4
159.11702	19.8
161.09665	4.7
161.13295	32.4
163.11168	3.6
163.14871	18.0
165.12773	6.6
171.11670	6.5
173.13258	19.3
175.11151	8.2
175.14841	25.0
177.12819	4.9
177.16443	5.8
179.14282	4.2
183.11754	4.8
185.13283	4.9
187.14812	15.5
189.16403	100.0
190.16760	6.3
191.17952	5.5
199.14879	5.9
201.12653	4.1
201.16423	6.3
203.14375	6.6
203.18019	10.8
205.15955	6.6
207.14465	3.6
207.17456	60.9
207.19295	3.8
208.17781	4.1
217.15910	23.5
217.19487	6.4
219.13829	8.5
229.19577	9.1
235.16920	36.1
243.21161	7.1
289.21756	4.6
326.49542	3.1
381.31326	4.3
395.33191	28.0
399.32721	4.2
405.31567	7.8
407.28748	2.8
423.32669	39.5
424.33084	4.1
441.33682	8.8
465.34119	3.7
483.34778	39.3
501.29239	3.9
501.35883	38.4
502.36456	6.2
519.23621	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	518.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	23.9
57.07076	12.3
67.05504	33.6
69.07062	39.9
71.32397	6.7
76.00250	5.5
79.05493	24.2
81.07065	66.1
82.07381	8.3
83.08615	14.0
91.05483	28.6
93.07033	47.8
93.67980	5.7
95.04987	13.8
95.08611	100.0
96.08945	15.2
97.06512	13.7
97.10161	7.9
105.07025	54.2
107.08583	71.9
108.08925	13.0
109.06528	19.4
109.10159	62.5
111.08060	9.1
111.11690	7.5
119.08588	84.6
120.08898	8.7
121.06501	13.6
121.10121	78.6
123.08077	13.0
123.11691	40.3
129.07050	8.5
131.08556	19.9
133.10118	62.5
134.10443	8.3
135.08057	8.9
135.11696	46.1
137.09711	12.0
137.13252	13.7
139.07594	11.3
143.08511	8.3
145.10190	37.2
147.08006	8.2
147.11685	40.8
149.09615	9.7
149.13284	23.1
150.13541	7.4
151.11205	9.3
156.09349	6.8
157.10118	15.6
159.11699	24.7
160.12068	8.0
161.09735	7.8
161.13281	33.6
163.11185	11.3
165.09106	8.4
171.11673	14.1
173.09659	7.1
173.13269	18.8
175.14879	19.3
177.12767	7.6
177.16466	15.0
185.13301	13.8
187.14803	16.7
189.09175	11.1
189.12759	25.1
189.16385	56.0
190.16672	8.9
191.10876	7.2
191.17944	11.1
192.18372	8.7
194.00415	5.8
195.13754	16.3
199.14879	12.6
201.16360	12.9
203.14333	12.6
203.17986	12.6
205.19461	6.8
213.12717	8.4
213.16383	9.6
215.17967	9.0
217.15714	7.1
227.18074	6.4
231.13872	40.6
233.15385	10.4
235.16965	9.8
249.14912	46.3
271.06000	7.8
271.20810	6.6
395.33411	9.1
405.31592	8.6
423.32941	37.5
441.33707	58.3
442.33926	8.2
455.35187	8.8
458.33350	24.2
483.34491	28.0
500.35907	7.7
501.35574	11.4
511.28036	6.4
518.33508	12.7
519.34058	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	518.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99408	4.4
55.05286	7.1
55.05516	48.4
57.03437	10.0
57.07075	32.1
57.09203	4.9
67.05502	32.8
69.07062	13.3
69.10423	5.2
71.08662	11.0
79.05494	17.0
81.07059	25.1
82.81733	6.1
83.08611	34.6
85.10162	9.1
93.07037	12.6
95.08611	18.0
95.49317	4.6
97.10175	52.4
100.81103	5.3
107.08611	19.1
109.10198	9.2
111.08066	5.5
123.11697	5.1
125.09626	46.2
135.08067	6.4
144.52318	5.3
167.85440	5.2
171.10243	6.6
189.11188	40.4
227.12790	100.0
245.13855	92.8
313.27368	83.7
328.24887	5.2
446.51862	6.4
473.71582	7.4
483.36865	41.6
518.32391	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	518.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	20.0
57.07066	10.8
67.05516	29.8
69.07072	45.9
69.33977	17.8
69.34388	10.4
70.50874	5.2
71.05001	5.2
75.81694	4.2
79.05494	18.7
81.07061	63.2
83.08633	22.4
84.63312	4.3
85.06541	6.1
91.05470	19.8
93.03430	5.4
93.07048	37.7
94.07447	4.4
95.08038	8.8
95.08611	100.0
96.08940	6.2
97.10165	17.1
105.07021	46.7
105.69477	4.9
107.08587	59.9
109.06517	6.3
109.10157	58.6
110.61322	4.9
111.11708	13.0
117.07031	5.7
119.08584	59.7
121.10136	55.3
122.10451	5.1
123.08070	6.7
123.11716	34.6
125.09607	15.7
131.08540	10.9
133.10114	41.1
135.11714	30.7
136.12035	6.6
137.13251	17.3
139.12233	4.7
143.08601	7.4
145.10126	16.6
147.11679	41.2
149.13255	12.2
151.11148	5.6
157.10106	7.3
159.11688	23.1
161.13260	20.9
163.11098	5.0
163.14815	37.4
165.12730	8.1
169.10085	4.1
171.11682	7.9
173.13264	15.1
175.11223	4.8
175.14828	15.5
177.16301	6.7
180.83357	4.6
187.14862	14.3
189.16362	15.3
191.17940	18.4
201.16365	9.0
203.14334	7.5
203.17976	67.5
205.12224	6.7
205.19543	5.0
215.17981	9.8
219.17572	5.7
221.19002	39.2
227.12772	14.1
229.19531	7.8
231.17377	6.0
241.19527	7.2
243.21135	12.3
245.13921	13.2
249.18477	11.3
313.27399	14.2
375.59918	4.9
395.36755	9.8
405.35208	9.2
423.36435	47.3
424.36755	5.5
441.37729	39.2
483.36520	12.9
500.38467	5.6
518.33649	6.9
519.34497	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
67.01867	0.5
68.99776	0.4
69.03408	0.1
69.07091	0.1
69.27499	0.3
85.02901	0.1
88.47398	0.1
91.05466	0.4
97.02904	0.1
107.08578	0.1
119.04945	2.2
121.02880	0.6
127.03899	0.1
137.05920	0.1
145.02841	0.7
148.48090	0.1
153.01828	5.1
154.02158	0.2
163.03918	0.6
171.02887	0.6
175.07492	0.1
187.03984	0.1
193.73502	0.1
197.06075	0.1
203.07062	0.2
204.07057	0.1
225.05389	0.3
229.04987	0.4
237.82500	0.1
243.06450	0.4
247.06087	0.1
253.05087	0.1
270.05173	0.1
271.06000	100.0
272.06332	4.3
433.11261	0.9
501.10959	0.1
519.11365	1.4
519.31024	0.1
520.11523	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43085	1.2
51.28058	1.2
53.23206	1.2
56.96568	6.1
61.23901	1.1
69.03420	1.4
69.29244	2.6
69.29644	6.6
84.08163	2.5
85.02913	2.1
86.09702	2.0
91.05816	1.6
98.23376	2.3
98.97585	8.8
103.05481	2.1
116.98624	4.3
120.08106	15.0
121.08461	1.8
124.28721	1.2
128.98668	2.3
146.99666	1.7
156.72095	1.3
162.05002	1.1
163.03923	4.3
164.04256	1.3
166.08621	7.4
172.94394	1.6
177.00702	1.7
177.05463	1.5
182.16998	1.1
182.66249	1.3
203.03452	1.2
214.95485	3.5
219.01828	3.5
232.96559	8.9
237.02864	4.6
250.97516	5.0
276.32037	1.4
278.95889	1.5
287.97061	3.7
299.06400	1.2
305.98175	3.4
362.02261	3.0
380.03360	11.3
519.14789	100.0
520.01294	4.3
520.15350	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	519.1858
Annotation	Simplexoside
Peak:m/z	Relative Intensity
51.02381	0.2
52.84493	0.2
53.03944	0.4
55.01876	0.5
55.05500	0.2
55.91899	0.2
57.03434	0.6
61.02921	0.6
63.04484	0.2
65.03931	0.6
66.04717	0.5
67.05502	0.8
69.03432	2.4
69.36369	0.4
69.36779	1.5
71.04995	0.4
73.02898	0.4
79.05490	1.0
81.03417	1.1
81.07047	0.7
83.04990	0.5
85.02908	3.3
86.09685	0.5
86.80380	0.3
87.04494	0.4
91.05476	1.1
93.03418	0.2
93.07037	0.4
94.04174	1.9
95.04967	0.5
95.08585	0.4
96.08083	0.3
97.02867	1.5
99.04447	0.6
101.02361	0.3
103.05441	0.4
105.03385	0.3
105.07026	0.6
107.04932	0.9
107.08582	0.6
108.02088	0.4
109.02877	0.5
109.06519	0.4
109.10141	0.4
111.04462	0.3
111.08025	0.3
115.05458	1.4
117.06995	1.0
119.04904	0.3
119.08580	0.6
121.06510	0.3
121.10133	0.4
122.03650	6.6
123.08108	0.5
127.03941	1.1
131.04939	0.5
131.08505	0.3
133.06548	0.5
133.10123	0.4
135.08066	0.3
136.07603	0.4
137.05975	100.0
138.06329	2.4
141.05501	0.4
143.04922	7.2
143.08623	0.4
145.04942	0.5
145.06485	0.5
145.10158	0.5
146.05981	0.2
147.04381	0.3
147.11679	0.3
149.05930	0.2
149.09677	0.3
151.03912	13.1
151.05008	1.4
152.04245	0.5
153.05432	0.2
157.10112	0.2
159.11720	0.3
161.06042	0.9
162.05397	0.2
163.07553	0.4
167.07076	0.6
172.03926	0.4
173.05969	0.3
175.07564	2.4
177.05496	0.3
185.13303	0.4
187.07545	0.3
190.04985	0.2
191.07045	0.3
191.10806	0.3
203.07056	1.8
204.06625	0.9
205.08592	3.5
207.06459	0.3
230.17612	0.3
237.79242	0.2
251.77481	0.2
265.08783	0.3
295.09488	0.4
321.11191	0.3
327.12253	15.3
328.12650	0.9
333.62427	0.2
339.12305	0.4
357.13361	8.2
358.13950	0.5
471.31030	0.5
475.17896	1.1
489.17734	0.4
519.18536	25.3
520.18994	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
52.16191	0.3
53.03937	1.5
55.01873	1.2
55.05503	0.5
57.03433	1.0
61.02925	1.3
65.03930	0.5
67.05505	1.0
69.03428	4.5
70.06582	0.6
70.57212	0.6
71.01337	0.3
71.04995	1.6
73.02922	0.6
77.03903	0.5
78.04711	2.5
79.05495	7.0
81.03418	1.7
81.07067	1.9
84.04520	0.8
84.08151	0.7
85.02908	8.6
86.09690	1.1
87.00845	0.5
87.04472	0.7
91.03979	0.5
91.04958	0.6
91.05484	8.3
91.74883	0.3
92.43388	0.4
93.03411	1.0
93.07038	1.7
93.19837	0.3
95.04985	2.0
95.08616	0.8
97.02899	3.4
99.04445	0.8
103.05482	3.0
105.01822	0.4
105.03386	1.6
105.07034	12.0
105.07755	0.6
106.04195	1.8
107.04272	0.7
107.04959	8.5
107.08595	1.2
109.02882	1.6
109.06550	0.4
109.10150	1.1
111.04475	0.4
111.08134	0.5
115.05455	4.3
117.07015	3.3
118.04176	1.3
119.04938	5.9
119.08561	2.3
121.04070	0.4
121.06496	1.6
121.10159	0.6
122.03669	0.7
123.04444	6.7
123.08112	0.5
124.05242	3.2
125.06001	0.8
127.03905	2.2
127.31858	0.4
128.06230	1.8
129.07034	3.3
130.04135	1.0
131.04933	5.1
131.08575	1.9
132.05759	2.2
133.02823	0.6
133.06485	9.6
133.10129	1.3
134.03635	0.6
134.06827	0.4
135.04480	0.5
135.08083	0.9
137.05997	1.8
140.04683	1.0
143.08577	1.4
145.05020	0.9
145.06483	9.8
145.10123	2.4
147.04416	16.9
147.08061	1.1
148.04988	0.5
149.05997	1.5
151.03925	1.3
151.07518	0.5
152.04688	2.1
153.05493	2.2
153.06680	0.4
154.79005	0.4
155.04872	0.6
155.05997	0.6
155.07166	0.4
155.08412	0.9
156.09325	0.4
157.06497	2.5
157.10175	1.3
159.04430	0.7
159.08139	0.6
159.11700	1.3
160.05234	1.2
161.05986	30.4
161.13184	0.5
162.06387	0.5
163.07541	0.8
165.05504	0.8
165.06976	0.7
167.07040	100.0
168.07358	2.7
169.10146	0.7
171.11694	1.2
173.05989	24.8
173.13219	1.1
174.06425	0.4
175.07547	1.0
175.11145	0.4
175.14760	0.5
176.04628	0.9
176.06071	0.4
177.05449	1.9
178.07803	1.1
179.07056	1.3
179.08511	0.8
180.07755	1.6
181.06581	0.5
181.08572	1.2
183.11687	0.6
185.05969	9.9
185.09682	0.5
185.13242	2.2
187.07541	1.0
187.14835	1.7
189.07037	1.4
190.07814	2.3
191.07034	8.4
191.08603	2.0
192.07808	4.8
193.08621	7.9
193.10187	0.5
199.11168	0.4
199.14830	1.5
202.07779	1.5
203.06894	2.2
203.08664	2.5
203.14227	0.9
204.06679	0.7
204.09126	0.6
205.06450	0.5
205.10217	0.7
206.07300	1.6
207.08095	1.3
208.08817	0.5
209.08101	1.4
209.09877	0.5
215.08582	3.0
215.14449	0.5
218.07301	3.7
219.08052	5.3
219.13654	0.5
220.08676	0.6
221.06056	0.4
221.09586	3.4
221.15315	0.4
223.07539	0.7
229.06506	0.6
231.08038	2.0
232.08926	0.8
233.09686	2.5
234.06761	1.2
235.07454	2.1
236.08261	1.2
243.08026	0.5
246.06744	1.2
247.07596	5.1
248.08221	0.8
249.09067	3.2
250.09865	0.6
251.07050	1.0
251.10706	1.1
252.07756	0.8
253.08656	0.4
259.07416	0.6
260.08438	1.5
261.09189	2.6
263.07007	1.7
264.07883	2.6
265.08624	0.9
267.10208	3.4
269.08102	0.6
271.05795	0.6
274.06357	0.7
275.06992	5.1
276.07718	1.3
277.08569	2.6
278.09332	0.8
279.06863	0.6
279.10162	2.1
281.11667	1.9
289.08575	2.0
291.06412	0.4
292.07220	1.1
293.08011	1.1
293.11615	0.8
294.08865	0.8
295.09750	4.8
296.10245	1.0
306.08813	0.8
307.09665	11.1
308.10187	0.9
309.08035	0.5
309.11179	2.6
311.09088	1.0
311.12634	0.8
312.09952	6.8
321.11154	1.2
324.10040	0.5
327.12271	17.9
328.12335	0.8
339.12253	12.4
340.12708	0.5
357.13263	0.7
394.36932	0.4
419.28964	0.5
429.37973	0.4
437.30719	0.6
465.29785	0.7
471.31091	5.6
483.30887	0.5
519.18207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01877	4.0
55.05503	1.0
57.03421	0.7
65.03928	1.0
67.05492	2.7
69.03427	4.0
69.07082	1.0
69.08896	2.5
69.09314	2.5
70.06605	1.4
71.04974	1.9
79.05059	0.6
79.05492	3.3
81.03429	3.2
81.07063	4.1
83.08636	0.8
85.02906	5.0
85.06506	0.9
87.00806	0.8
89.03882	1.0
91.05472	7.1
93.07034	4.7
94.06538	0.9
95.04966	2.8
95.07349	1.5
95.08618	4.0
96.08125	1.5
97.02884	1.9
97.06532	0.9
99.04475	1.7
99.08067	0.9
103.05453	3.7
105.01877	1.2
105.07041	6.0
107.04999	1.5
107.08604	3.1
108.08100	2.1
109.02859	1.5
109.06506	0.8
109.10149	1.9
110.09683	3.7
111.04358	0.7
111.08073	5.9
112.08408	2.4
115.05441	1.8
116.04997	4.2
117.07007	1.8
119.04955	2.6
119.08566	5.6
120.08093	2.9
121.06532	1.5
121.10132	1.9
122.03653	1.7
122.06046	3.9
123.08061	0.9
127.03912	1.7
128.06163	1.6
129.06978	3.1
131.04935	4.2
131.08598	3.6
132.05716	1.5
133.06496	2.8
133.10156	3.1
134.05937	0.8
135.08043	1.7
135.11763	0.7
136.07574	4.5
137.05978	13.5
138.09123	3.9
142.07764	1.2
143.08572	2.6
144.04440	11.3
145.06438	1.3
145.10115	6.6
146.06015	2.5
147.04424	2.7
147.08054	1.9
147.11696	1.8
148.03888	0.8
148.07547	1.8
149.05952	1.6
149.09581	1.1
151.03868	0.9
153.05455	1.9
155.08563	1.8
156.09309	0.7
157.06493	0.7
157.10167	3.6
158.10786	0.7
159.08028	1.8
159.11684	3.5
161.05995	7.8
161.09613	1.1
161.13245	1.7
162.05470	5.2
163.07503	3.6
165.09140	0.8
166.08646	12.5
166.09898	1.1
167.07051	2.5
167.08640	1.0
169.10124	1.0
170.10788	0.9
171.11687	2.3
172.03938	56.6
172.05154	2.1
173.04251	1.9
173.05847	1.2
173.13255	2.6
175.07549	6.6
175.11124	0.7
177.05472	1.1
177.09088	0.9
179.06990	1.2
183.11673	2.6
185.06035	1.0
185.13268	4.2
187.07545	6.7
187.14815	2.7
189.12733	1.3
190.05006	9.5
191.06935	1.2
195.11746	0.7
197.13264	2.0
199.07538	2.5
199.14822	1.8
201.09039	0.7
201.12869	1.4
201.16452	1.3
202.07701	0.8
203.06982	1.6
203.14267	1.6
204.06564	100.0
205.06834	3.7
211.14804	1.5
215.08667	1.0
217.08611	1.9
217.15883	0.8
227.14272	0.7
231.08052	1.2
233.09708	0.9
234.06697	0.8
235.07443	0.9
247.07445	1.2
261.09070	1.5
265.08585	3.0
267.10242	0.9
275.10889	0.8
277.08658	1.2
283.09708	1.9
285.11243	1.4
295.09619	0.9
297.11191	3.8
303.10129	1.3
307.09698	1.5
309.11221	2.3
315.12357	1.5
321.11188	3.7
323.12833	1.3
325.11743	1.7
327.12329	0.7
329.14981	1.3
332.10321	0.8
334.09079	2.3
335.12906	2.1
339.13315	3.3
343.12869	0.9
347.12817	1.6
357.14441	9.0
365.13834	1.1
419.29153	0.7
439.15338	1.0
447.29141	0.7
453.29785	2.5
465.29990	1.0
471.17896	1.6
471.31076	9.8
483.31387	1.3
487.16830	1.2
489.18958	1.1
501.19019	3.2
501.31784	0.8
519.20087	7.2
519.32080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	1.7
55.05518	3.5
59.29948	1.1
65.03953	1.6
66.04717	1.4
67.05521	5.6
69.03432	2.2
69.07059	3.1
69.62024	2.2
69.62436	3.8
71.04993	1.6
79.05496	5.0
81.03416	3.8
81.07069	8.5
82.07435	1.1
83.04965	1.3
85.02936	1.8
85.19085	1.0
91.05455	10.7
92.05811	1.3
93.07069	8.9
94.04195	4.4
94.07410	2.2
95.04972	4.0
95.08610	15.4
96.08950	4.8
97.06519	1.6
98.23336	1.2
101.19527	1.0
103.05479	4.7
105.07028	12.2
106.07374	4.2
107.04976	2.7
107.08595	7.5
108.08943	2.0
109.06539	4.4
109.10167	5.1
110.10467	1.2
111.04407	1.5
115.05441	3.1
117.07051	4.6
118.83215	1.1
119.04949	4.0
119.08587	14.3
120.08896	5.7
121.06489	1.9
121.10162	3.7
122.03673	5.0
122.10513	1.7
123.08101	2.3
124.12024	1.3
127.03975	1.2
128.06224	3.1
129.07019	3.2
131.04948	6.1
131.08574	7.4
131.15778	0.9
132.08900	4.6
133.02861	1.4
133.06459	2.2
133.10129	6.0
134.10492	2.8
135.08112	3.0
135.11761	1.5
136.12044	1.3
137.05983	100.0
137.09604	2.5
138.06329	3.4
142.07768	1.8
143.08566	4.8
144.08905	1.4
145.06483	3.0
145.10164	9.1
146.03650	1.4
146.10497	5.9
147.04355	2.6
147.08067	3.0
147.11729	4.1
149.05994	2.7
149.13274	1.6
151.03868	5.8
151.07518	5.9
153.01814	1.6
155.08620	1.5
156.09306	1.3
157.06531	2.8
157.10147	3.7
158.10555	1.5
159.08080	2.4
159.11719	5.1
160.05231	2.4
160.11995	2.2
161.05983	11.4
161.09692	1.5
161.13274	2.5
163.07574	2.9
167.07045	1.7
167.99445	1.1
169.10118	1.9
171.11714	2.1
173.13269	4.9
174.06996	1.4
174.13626	1.8
175.07541	8.9
175.11032	1.3
176.15196	1.5
177.05478	5.6
178.07739	1.6
179.08527	1.6
184.12064	1.3
185.13196	2.0
186.13615	2.7
187.07573	4.9
187.14857	14.1
188.15178	9.2
189.09047	2.6
189.12837	1.9
190.16756	1.4
191.06969	2.8
192.14775	1.6
196.18687	1.2
198.06766	1.6
199.07570	1.7
199.14830	2.5
200.15218	2.4
201.12749	1.8
201.16489	2.7
202.16731	2.7
203.05299	3.0
203.14307	9.1
204.14702	5.1
205.08504	1.8
205.15773	1.1
206.07353	1.6
206.16360	1.5
207.08098	1.8
211.07697	1.6
213.16365	1.8
214.12764	1.5
214.16795	3.2
217.08463	2.2
217.15898	1.6
218.16258	1.4
221.05905	1.3
229.15736	1.3
230.16237	1.9
241.08516	2.8
248.09024	1.9
249.09299	2.3
251.07126	2.1
255.10255	1.5
261.09048	2.1
263.06992	1.4
264.07629	1.4
265.08713	2.9
267.10135	4.0
269.08163	1.7
271.05960	23.1
272.06165	1.6
277.08511	2.8
278.09103	1.6
279.06409	1.4
283.09689	2.3
285.08783	1.3
287.10690	1.4
289.08618	2.2
291.09976	2.7
292.11185	1.2
293.11603	1.6
294.08838	2.0
295.09631	3.7
297.11215	3.7
299.06082	1.4
301.08612	1.2
303.10062	2.6
305.11789	1.7
307.09683	2.4
308.10651	1.9
311.07037	1.9
315.09863	2.8
317.08185	1.4
317.11694	1.6
319.09570	1.2
320.10571	2.2
321.11227	4.6
323.12766	3.7
331.09869	1.3
332.10721	2.2
335.12698	4.4
347.12885	8.9
365.14047	10.1
377.13757	3.4
383.08542	1.4
387.11993	1.5
395.14844	5.2
396.12964	3.8
407.28387	1.4
408.29755	1.8
409.30115	2.1
415.11563	1.8
419.28561	1.6
430.14151	2.0
436.29236	2.9
437.29623	3.5
439.15463	2.1
448.15225	10.5
449.15771	3.7
453.29504	1.5
454.30237	2.7
455.30991	2.6
457.32288	3.9
461.16269	2.3
470.29742	3.5
471.18091	1.6
471.30203	6.4
483.18179	2.0
487.17520	11.7
500.30817	3.1
501.19315	8.9
501.30807	4.1
502.52274	1.4
511.30438	1.3
518.31561	2.7
519.20471	14.4
519.32501	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	519.2204
Annotation	Ala His Tyr Glu
Peak:m/z	Relative Intensity
55.05493	0.4
69.05128	0.5
71.30161	0.7
71.30613	0.6
75.83249	0.5
79.05495	0.8
81.07056	1.5
82.21767	0.5
91.05489	0.7
93.07067	0.9
95.05019	0.8
95.08604	1.9
103.08799	0.5
105.07030	1.4
107.08596	1.6
109.06519	0.5
109.10156	1.7
111.04427	0.5
117.07047	0.5
119.08566	1.6
121.10149	1.8
123.08043	0.6
123.11662	0.4
130.37782	0.5
131.08585	0.6
133.10139	1.3
137.05978	1.5
145.10185	1.1
147.11714	0.8
150.37900	0.4
157.10146	0.5
159.11728	0.6
161.13231	0.7
167.05629	0.6
171.11629	0.5
175.14787	0.5
177.09048	0.6
187.14728	0.6
215.14401	0.5
271.06000	7.2
299.06241	0.6
387.17703	1.8
519.22015	100.0
520.22491	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	519.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
51.56079	0.9
53.03936	2.9
55.01869	1.3
55.05503	7.7
57.03434	1.6
57.07079	1.6
65.03925	1.5
67.05504	16.4
69.03426	3.3
69.07061	7.6
69.21822	0.9
71.04989	2.0
73.59146	1.0
77.03941	1.1
79.05491	14.4
81.03435	1.9
81.07057	24.5
83.04983	6.6
83.08611	3.1
85.02901	3.2
85.06540	1.9
86.09682	1.4
91.05475	25.1
93.07043	25.4
94.99837	1.0
95.04969	6.9
95.08600	27.3
97.02872	1.1
97.06521	2.5
98.10170	0.9
98.23335	2.7
99.04426	1.4
103.05482	2.1
105.07027	41.8
107.04935	2.7
107.08589	25.7
109.06504	5.2
109.10157	13.8
111.04420	1.7
111.08071	2.8
113.06004	7.5
115.05482	2.9
115.60667	0.8
116.04978	1.1
117.07011	15.8
119.08580	46.9
121.06495	8.6
121.10136	15.8
123.08051	5.7
123.11707	2.5
128.06206	7.0
129.06999	12.5
130.07764	3.5
131.08566	47.1
133.06517	5.5
133.10124	26.5
135.08049	10.8
135.11696	7.9
137.05980	10.0
137.09604	3.6
138.09193	1.2
141.06958	4.4
142.07771	10.6
143.08565	36.1
144.04420	1.7
144.09312	3.0
145.06468	3.1
145.10120	67.6
146.10481	2.3
147.04425	1.2
147.08023	11.1
147.11687	16.7
147.12767	1.9
149.09641	5.1
149.13255	4.5
151.07539	2.6
153.05457	2.5
154.07684	1.6
155.08537	10.0
156.09341	7.4
157.10127	41.2
158.10817	2.9
159.08081	6.7
159.11684	37.2
161.05995	2.9
161.09628	13.2
161.13246	13.7
163.07570	2.1
163.11179	3.2
163.14847	4.1
165.09084	2.6
166.08710	1.1
167.07059	3.1
167.08444	2.0
168.09363	4.0
169.10139	16.3
170.10930	7.0
171.07986	1.2
171.11685	24.4
172.03893	5.8
172.08772	1.7
172.12157	1.8
173.09685	5.5
173.13258	34.4
174.13576	1.5
175.07544	1.9
175.11174	7.8
175.14807	11.2
177.05453	2.3
177.12759	3.1
179.07127	1.1
179.08560	1.3
181.10126	3.0
182.10922	1.9
183.10190	1.7
183.11668	24.0
185.09647	2.0
185.13252	62.4
186.13644	2.0
187.07491	2.7
187.11191	5.1
187.14815	38.6
188.15189	1.7
189.09167	2.0
189.12744	16.2
189.16415	4.3
190.05014	1.1
191.14290	4.4
193.10126	1.8
193.12263	1.2
195.11720	3.9
197.13258	14.2
199.11177	2.5
199.14815	42.3
200.15152	1.4
201.12724	13.9
201.16411	14.5
201.18193	1.7
203.14311	30.7
203.17911	1.2
204.06561	12.5
204.14696	1.7
205.12163	1.9
205.15872	3.2
209.13142	5.5
211.14825	9.3
213.12756	3.3
213.16388	10.5
215.14259	8.1
215.17743	1.0
217.12395	1.2
217.15894	15.2
219.11766	1.2
219.13773	14.5
219.17393	2.4
220.12447	1.2
221.13388	1.7
221.15274	6.3
223.14856	2.0
225.16325	5.8
227.14288	3.5
227.17958	2.5
229.15851	7.1
231.13802	4.2
231.17484	2.4
233.15314	3.1
235.14803	1.4
235.16931	1.5
237.14842	3.8
237.16701	2.3
239.17992	2.4
243.13802	1.9
245.15396	7.0
247.16884	2.8
251.18057	1.8
253.15779	1.3
253.19469	1.3
255.17468	1.7
257.19034	1.6
259.16898	1.3
265.19525	1.3
267.10242	1.2
267.21036	2.5
269.19070	1.4
277.19754	1.3
285.18396	1.2
295.09778	1.0
327.12314	2.9
339.12091	2.1
341.50095	1.1
357.14151	1.8
365.24985	1.3
371.27438	1.6
373.28940	1.8
379.26434	1.3
383.27267	1.4
389.28290	7.9
391.29846	2.8
401.28336	8.2
403.30438	1.3
407.29752	5.8
417.28052	3.0
419.29440	14.0
420.29703	1.3
425.30386	2.9
429.27902	2.7
435.28745	5.5
437.30527	14.7
439.32336	1.3
447.28961	9.4
453.29980	5.1
455.31638	6.6
465.30084	19.0
466.30154	2.0
471.31036	100.0
472.31454	7.5
473.32587	5.9
483.30966	18.3
484.31610	2.4
501.18918	1.2
501.32010	8.0
512.33551	1.1
519.18768	1.8
519.33044	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	519.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
53.31683	0.9
55.01874	2.0
55.05516	5.5
57.03444	2.1
63.30295	1.0
65.03934	1.9
67.05505	12.0
69.03427	7.9
69.07054	5.3
69.12121	7.8
70.06561	1.4
71.04990	4.6
72.08154	1.2
73.02904	2.2
77.03933	1.1
79.05503	11.8
81.03423	4.1
81.07058	18.2
83.04983	4.4
83.08615	2.2
84.04517	2.3
85.02911	10.1
85.06558	1.6
86.06074	1.1
86.09717	1.4
87.04461	1.6
89.06046	4.8
91.05482	20.0
93.07055	16.0
94.04188	1.2
94.07435	1.2
95.04980	7.3
95.08611	17.2
97.02883	5.8
97.06534	4.6
99.04458	1.5
103.05470	3.3
105.07034	29.8
107.04965	3.4
107.08601	20.7
108.08184	1.4
109.02874	3.2
109.06515	5.0
109.10160	11.4
111.04413	1.8
111.08076	3.9
113.05974	2.6
115.05470	3.8
117.07029	9.0
119.04942	4.3
119.08582	30.0
121.06496	5.7
121.10157	9.9
122.03658	4.2
122.05991	1.5
123.08070	3.8
123.11715	2.7
125.09636	1.5
127.03902	5.2
128.06252	2.7
129.07022	7.3
130.05042	3.1
130.07716	1.4
131.04933	2.2
131.08572	23.7
131.09492	1.7
133.02878	1.5
133.06499	3.1
133.10138	19.7
135.08060	5.8
135.11694	4.7
136.07547	3.6
137.05981	53.3
137.09593	2.2
138.06358	1.4
138.09181	1.1
141.06966	2.2
142.03899	1.1
142.07846	5.3
143.04910	3.6
143.08563	17.7
144.04456	2.9
144.09325	2.9
145.02898	1.2
145.04999	1.8
145.06511	1.6
145.10124	33.5
146.06046	1.9
146.07208	1.0
147.04410	4.2
147.08020	6.8
147.11674	14.6
149.06009	2.8
149.09645	3.7
149.13268	3.2
151.03928	7.8
151.07594	2.2
151.11220	1.6
153.05489	1.2
153.07074	1.2
155.08511	5.1
156.09381	3.6
157.06520	1.2
157.10130	21.4
158.10764	1.6
159.08028	4.2
159.11697	19.9
161.05971	4.5
161.09639	7.3
161.13281	8.6
162.05484	2.3
163.07584	2.2
163.11258	1.3
165.05472	2.1
165.06871	1.2
165.09135	2.0
166.08609	2.7
167.05708	1.2
167.07077	3.6
167.08562	2.4
168.09439	1.7
169.10138	8.1
169.12303	2.4
170.10854	3.6
171.11691	13.3
172.03931	10.3
173.04483	1.3
173.06033	1.2
173.09654	2.3
173.13268	23.1
175.03943	3.5
175.07545	4.0
175.11209	5.2
175.14856	6.1
177.05489	2.6
177.12814	1.8
179.08554	1.1
179.10779	0.9
179.14401	1.1
181.10139	3.0
181.11819	1.0
182.10954	1.8
183.11679	12.6
183.13150	1.2
185.09665	1.8
185.13271	29.8
187.07578	1.2
187.11209	3.9
187.14819	19.9
187.16374	1.7
189.12698	6.3
189.16431	2.5
190.04909	2.3
191.07126	1.4
193.08470	1.4
193.10240	1.0
193.12224	1.6
193.16119	1.2
195.11716	3.1
196.07617	2.3
196.12451	1.3
197.13277	8.2
199.11198	2.6
199.14821	18.1
200.15274	2.2
201.05525	2.8
201.12747	7.7
201.16368	6.1
203.06996	1.4
203.14317	13.5
204.06552	15.8
205.06781	1.8
205.08563	2.1
205.12299	1.2
205.15916	3.6
207.06453	6.8
207.11748	1.6
209.13258	2.9
209.85960	1.1
211.14838	4.7
213.12767	2.8
213.16393	3.5
215.14282	6.3
215.17728	1.2
217.12189	1.3
217.15805	7.8
219.13795	9.1
219.17361	1.9
221.09674	1.3
221.13231	1.3
221.15283	3.5
223.14909	1.4
225.07491	2.3
225.16360	3.5
227.14319	1.9
227.17929	1.9
229.12218	1.2
229.15924	2.8
231.13902	2.0
231.17508	2.3
233.15480	1.5
235.16945	1.2
239.17966	1.6
241.19562	1.4
243.17447	1.5
245.15404	2.4
248.08366	1.2
251.17970	1.4
253.15854	2.0
253.19493	1.3
278.09406	1.5
279.20987	1.4
285.22006	1.4
297.11313	1.5
307.09665	2.1
309.11359	1.5
321.11224	2.1
325.10776	1.4
327.12390	6.3
339.12314	1.6
339.18481	1.2
347.12811	1.4
357.13788	6.2
371.27158	1.2
389.28281	4.7
401.28378	3.6
407.29514	3.3
417.27747	1.9
419.29434	6.0
435.28909	4.1
437.30621	6.5
439.43011	1.2
447.29062	6.2
453.29797	2.1
455.31418	2.1
465.29874	7.9
466.30353	1.1
471.31079	100.0
472.31525	9.4
473.32550	1.9
475.17993	2.2
483.31271	7.7
496.64612	1.2
501.31952	3.1
512.33759	1.2
519.18182	15.2
519.32770	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	519.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.6
55.05268	2.4
55.05517	8.9
55.32555	2.0
56.23405	2.2
57.07079	5.5
59.40869	2.2
65.03955	2.7
67.05511	25.6
69.03434	15.7
69.07066	11.9
70.18492	7.0
71.04993	5.6
79.05496	15.1
81.03414	7.2
81.07056	27.2
83.04982	5.0
83.08601	3.1
85.02905	12.4
85.06562	4.0
86.06072	2.5
87.00836	3.2
91.05460	20.8
93.07041	25.1
94.77775	2.2
95.04963	10.8
95.08608	96.6
96.08942	2.5
97.02922	5.0
97.06527	4.4
97.10171	2.4
98.22598	3.1
105.01826	2.9
105.07040	35.8
106.07397	2.6
107.08594	31.2
109.02901	4.1
109.06538	4.2
109.10147	26.2
111.08066	4.5
115.05481	2.7
117.07026	8.4
119.04969	5.3
119.08588	38.1
120.08946	3.7
121.06507	12.8
121.10144	23.7
123.08086	7.7
123.11701	5.1
125.09637	4.1
127.03936	4.9
128.06187	3.6
129.07008	7.0
131.08600	16.4
133.10136	18.5
135.08052	8.3
135.11708	10.5
137.05962	16.6
137.09645	16.9
137.13217	2.6
142.07796	3.8
143.08618	11.0
144.09404	2.6
145.06590	3.0
145.10107	20.0
147.08064	16.1
147.11667	11.6
149.09644	5.8
149.13269	5.4
151.03915	3.1
153.01935	6.2
155.08566	3.0
156.09338	3.0
157.10110	9.5
159.08038	6.7
159.11707	14.2
161.09634	7.9
161.13272	7.5
163.11198	3.7
165.12747	3.4
167.05688	2.9
167.07144	2.3
171.11697	10.2
173.09724	3.8
173.13277	9.0
175.07607	4.4
175.11200	3.3
175.14876	3.3
177.12726	4.7
177.16473	2.5
179.14232	2.5
183.11646	4.9
185.09723	2.5
185.13283	8.4
187.11256	4.8
187.14941	5.8
189.12740	12.2
191.14371	9.7
195.11646	5.2
199.14819	4.2
201.12636	4.7
203.14331	45.6
204.06535	2.7
204.14653	3.0
205.15948	3.1
213.16310	4.0
215.14334	4.2
217.15927	9.9
219.17430	6.4
229.15889	5.2
231.17395	3.1
237.18575	2.9
241.15794	3.0
257.19046	3.2
271.06027	100.0
271.12973	5.3
272.06363	5.6
287.05548	2.8
299.06390	4.2
357.14343	11.1
409.31015	64.0
410.31476	3.2
419.29437	6.2
421.30969	9.9
433.18423	11.6
437.30560	19.5
439.32043	56.5
439.37772	4.6
453.29752	12.6
455.31458	5.6
457.33029	4.5
471.17303	2.8
475.19302	22.8
475.25211	5.3
483.31070	5.6
501.19110	3.8
519.17700	57.4
520.19104	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	519.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28227	0.4
53.53578	0.4
55.01854	0.5
55.05531	1.0
57.07076	0.5
61.55387	0.4
65.11049	0.5
67.05505	1.3
69.03486	0.5
69.07070	2.3
76.47697	0.5
79.05497	1.1
81.07053	3.2
83.08611	0.8
85.06525	0.6
91.05468	0.9
93.07047	2.3
95.08611	4.5
96.08959	0.6
97.06577	0.5
101.88693	0.4
105.07046	1.8
107.08605	3.5
109.10159	2.9
110.10497	0.6
111.08041	0.8
119.08585	3.0
121.06442	0.5
121.10162	3.6
122.10461	0.8
123.08083	1.4
123.11694	2.3
131.08588	1.0
133.10184	2.4
135.08070	0.5
135.11732	2.1
137.13252	1.1
145.10135	1.1
147.11723	1.5
149.13290	1.3
157.10086	0.6
159.11687	1.4
161.13248	0.7
163.14821	0.8
171.11630	0.4
173.13287	0.7
175.14828	1.3
178.06610	0.5
187.14876	1.0
189.16397	1.6
190.16682	0.7
191.17995	0.6
201.16444	0.7
205.19795	0.5
209.91873	0.4
269.19537	0.5
271.05954	1.0
424.32602	0.7
459.32632	2.1
519.34473	100.0
520.34790	11.0
520.42145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17220	4.6
52.09049	4.7
54.52842	4.7
55.05516	16.4
60.38099	4.7
67.05502	31.0
69.07076	36.3
72.29020	4.5
79.05500	18.6
81.07060	54.6
83.04991	5.5
83.08633	16.6
85.06567	4.5
88.18672	4.3
91.05447	27.1
93.07056	48.5
94.07412	4.8
95.05020	5.1
95.08622	100.0
97.06559	22.4
97.10175	8.1
99.08131	9.6
105.07037	40.2
107.08604	84.1
109.06535	10.7
109.10161	65.1
109.84483	5.0
110.10487	4.6
111.08057	7.3
111.11745	11.4
114.35961	5.0
119.08587	78.3
121.06590	5.1
121.10162	89.6
123.08080	14.6
123.11705	44.0
125.09634	9.7
131.08572	17.2
133.10135	65.9
135.08064	10.1
135.10773	8.3
135.11711	62.4
137.13258	13.9
139.07568	6.0
139.11179	20.8
143.08592	9.8
145.10144	34.1
147.11700	40.6
149.09807	6.9
149.13255	37.2
151.07599	6.1
151.11165	6.3
151.14778	5.0
157.10196	12.1
159.11685	31.8
161.13226	21.8
163.14867	12.5
167.08995	5.0
167.14349	19.7
171.11711	19.1
173.13246	19.5
175.14853	19.4
177.05537	7.1
177.12949	4.6
177.16408	15.1
181.12338	6.2
183.11758	6.5
185.13177	10.9
187.14816	14.4
189.16403	36.5
191.14211	6.7
191.17952	10.2
193.15891	14.7
195.17453	7.4
199.14888	13.8
201.16367	46.0
202.17030	6.1
203.18007	36.2
211.16966	8.8
213.16354	7.8
215.17966	5.8
219.17444	17.6
227.18079	7.1
231.17371	5.9
241.19443	6.3
249.18590	13.2
255.21054	54.5
259.20682	9.8
271.06061	20.6
273.22156	8.2
294.09448	4.9
315.23276	11.6
377.31958	6.5
395.33246	31.7
413.34033	22.1
423.32773	22.4
424.32901	6.0
425.30615	6.2
441.33698	32.2
442.33652	5.2
455.35303	8.4
457.33411	6.0
471.55743	5.6
473.36404	7.1
483.34634	10.5
501.34921	8.0
502.36060	6.0
519.30341	8.4
519.40857	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	519.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	19.9
57.07068	6.5
59.26026	3.8
66.45649	4.1
67.05512	21.8
69.07077	49.3
69.21098	7.9
69.21499	26.4
71.04977	4.6
79.05487	16.6
81.07066	47.8
82.25166	4.2
83.08622	16.1
86.08138	4.2
90.74537	4.3
91.05482	22.5
93.07057	46.2
95.04960	6.5
95.08041	6.9
95.08612	84.0
96.08978	6.0
97.10188	6.3
99.04434	4.6
99.08073	6.5
105.07047	40.0
107.08606	83.8
109.06523	6.3
109.10158	51.4
109.77575	4.4
111.08092	6.7
111.11728	19.1
117.07039	8.7
119.08592	81.9
121.10158	80.0
123.08054	7.9
123.11682	37.5
127.07615	5.5
131.08562	17.5
133.10149	66.1
135.08037	6.2
135.11694	57.5
137.09598	9.7
137.13246	7.1
139.11185	18.8
143.08542	9.5
144.09428	4.6
145.10158	26.0
147.11707	37.6
149.13287	25.6
151.11253	5.2
156.09299	4.5
157.10133	11.9
159.11685	35.1
161.13231	22.8
163.11205	4.8
163.14830	10.5
167.14351	37.7
171.11705	20.0
173.13316	26.7
175.11208	5.2
175.14882	23.6
177.12834	8.4
177.16354	27.3
183.11688	6.4
185.13268	15.4
187.14784	19.7
189.16360	28.2
190.16626	4.6
191.17944	5.0
193.15886	6.7
195.17421	11.0
197.13274	5.7
199.14764	19.8
201.16383	47.2
202.17169	8.9
203.17915	35.6
211.16876	8.2
213.16472	7.3
217.19640	6.8
219.17477	7.6
221.18973	7.2
223.17012	7.0
227.17981	7.2
241.19487	10.2
255.21115	100.0
259.20547	20.7
271.06033	11.9
273.22086	18.6
283.20566	12.7
315.23227	20.5
377.32135	10.2
395.33121	59.9
396.33713	6.1
413.34299	26.7
423.32709	25.9
441.33569	48.4
442.34180	10.0
454.18188	5.2
455.35104	8.4
459.34619	7.1
473.36310	25.8
483.34744	7.9
501.35684	44.2
519.34283	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	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86318	3.5
54.36805	3.6
55.01886	8.1
55.05508	20.9
55.73487	3.1
57.03438	3.3
57.07077	5.6
67.05517	31.3
69.03430	5.5
69.07077	36.5
69.24442	24.4
71.05011	7.2
73.06590	3.9
73.75282	3.2
75.44389	3.7
79.05504	21.4
81.07059	54.3
81.78927	4.0
83.04989	7.3
83.08631	13.2
85.06548	6.3
91.05463	27.3
93.07047	55.7
95.04986	6.3
95.08047	6.0
95.08617	89.3
97.06544	29.2
97.10149	6.0
99.04453	9.4
99.08096	4.6
101.06053	4.3
105.07038	47.6
107.07863	4.6
107.08604	86.4
107.09289	6.7
109.06531	14.8
109.10160	68.5
110.10483	5.5
111.08103	14.5
117.07030	12.7
117.84775	3.5
119.08588	79.5
120.08962	4.9
121.06483	11.1
121.10153	71.3
123.08088	11.3
123.11725	35.0
125.06027	6.9
125.09620	7.4
129.06924	4.3
131.08582	36.9
131.37720	3.4
133.10136	70.9
135.08066	12.7
135.11711	77.3
137.09613	8.0
137.13280	13.5
139.07532	5.3
139.11128	3.8
142.07751	4.2
143.08566	11.4
145.10123	43.9
147.08217	4.5
147.11710	31.6
148.11987	4.5
149.09621	12.3
149.13246	21.4
151.11186	4.6
151.14891	4.8
153.09128	10.1
156.09404	5.4
157.10149	14.3
159.08078	5.8
159.11731	36.3
161.09628	8.1
161.13257	36.1
163.07565	4.9
163.11220	6.5
163.14851	10.4
163.35703	3.8
165.09183	6.0
167.10698	5.3
169.10112	4.0
171.11705	18.4
173.09747	6.6
173.13298	41.5
175.11157	8.4
175.14833	13.6
177.09161	5.7
177.12804	20.9
177.16399	7.4
179.10674	4.6
179.14346	13.5
181.12262	4.1
183.11720	6.5
185.13332	9.6
187.14838	100.0
189.12718	4.0
189.16374	21.8
191.10701	6.3
191.14330	13.6
191.17979	14.0
195.13820	61.9
197.13255	6.4
199.14807	4.9
201.16400	9.8
203.18007	30.2
205.12257	17.4
205.15906	11.6
209.15594	4.5
213.16475	7.1
215.14372	12.9
215.17966	4.9
217.12137	4.4
217.16000	4.6
217.19514	10.9
219.17592	4.9
221.15402	5.2
223.13434	4.7
225.16434	6.9
227.17928	7.6
231.17464	6.3
233.15378	70.5
235.20558	23.9
241.19437	7.3
245.19107	9.1
251.16432	52.6
263.20148	23.5
265.14566	5.0
271.05994	11.9
273.18460	3.7
299.06320	6.0
395.33151	27.9
405.26636	5.1
423.32773	27.1
424.32974	5.9
441.33865	43.8
483.34515	16.2
501.35699	20.9
519.29938	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04977	1.1
52.64305	1.1
56.96557	3.7
70.06585	1.1
70.11189	3.2
70.11554	2.1
73.04742	1.2
83.34787	1.2
84.08159	2.7
86.09686	1.6
93.07028	2.1
98.97575	2.6
103.05473	7.9
107.04926	2.1
115.85310	1.1
116.98637	2.2
119.01900	2.1
120.08108	100.0
121.08447	2.5
122.07803	1.2
128.98613	2.4
129.10254	1.3
130.08652	1.1
131.01920	2.7
131.04913	3.2
135.04407	1.1
142.05403	1.1
150.64586	1.1
163.03905	12.8
166.08640	40.1
206.06459	1.1
210.99123	2.4
214.03166	1.8
214.95444	1.4
219.01872	1.9
221.05107	2.2
222.04324	1.7
224.07642	2.0
229.00180	1.4
232.96431	3.8
237.02818	3.1
242.08784	2.4
244.08121	1.2
248.07721	2.1
250.97675	2.3
260.07788	2.6
266.08630	2.0
278.08868	1.9
281.00009	1.1
287.96954	1.8
343.09302	2.2
350.10898	11.8
355.04340	1.3
355.12952	1.8
356.23987	1.3
362.02090	1.8
366.08475	1.5
368.11978	7.0
373.14331	3.1
380.03360	4.9
505.19119	1.3
520.01135	1.8
520.15100	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.4
55.01871	8.6
55.05500	11.5
65.03944	4.7
67.05499	22.1
69.03423	20.1
69.07068	9.2
70.06596	14.5
71.04981	10.3
71.31734	8.7
79.05472	24.6
81.03409	11.8
81.07058	80.0
83.04984	6.9
84.08141	6.2
85.02908	33.4
85.06537	13.1
86.09702	14.3
87.00840	13.9
91.05462	26.7
93.07047	52.9
95.04977	5.9
95.08608	35.7
97.02900	13.2
97.10159	5.7
99.04449	9.1
103.05423	7.0
105.01892	14.8
105.07041	50.1
106.07320	5.2
107.04932	7.5
107.08591	50.3
109.02914	15.0
109.06487	9.5
109.10138	24.6
111.08085	8.2
117.07039	11.4
119.08575	27.3
120.08114	13.8
121.10150	23.3
125.09624	5.7
127.03900	31.1
131.08568	20.0
133.02795	5.4
133.10123	26.7
135.11684	18.6
136.06166	10.7
137.06007	37.2
137.09628	17.1
143.08577	6.0
145.04979	10.9
145.10133	39.5
147.11696	11.4
149.06024	5.8
149.13286	17.2
151.11195	10.1
153.01901	7.3
157.10071	5.5
159.11734	35.3
161.05952	7.9
161.09676	7.3
161.13243	10.8
162.02335	5.6
163.11188	19.2
165.09128	8.2
167.07062	16.7
173.13293	14.3
175.14833	11.0
185.13220	6.8
187.14803	6.3
189.09058	5.7
189.30779	5.4
201.16435	33.3
219.13853	5.4
219.17459	42.1
231.05040	7.3
237.18523	22.6
270.15036	5.9
271.06042	81.5
272.06369	100.0
273.06525	7.4
373.18149	11.5
472.31680	6.9
485.32501	9.2
520.19592	5.7
521.13977	9.2
521.20251	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01868	4.4
55.05512	7.4
57.03443	3.0
57.07068	2.5
59.05017	3.0
59.46107	2.9
61.02915	3.2
62.01330	2.7
65.68809	3.0
67.05499	14.9
69.03434	16.4
69.07069	10.8
69.13264	2.9
70.06580	3.7
71.04993	37.8
71.30706	2.6
72.15926	2.5
73.06560	6.5
79.05487	19.2
81.03415	7.0
81.07057	39.9
81.49936	3.5
83.04990	5.7
83.08621	5.4
85.02908	22.8
85.06523	5.7
86.09692	3.9
87.00830	7.9
91.05471	20.7
93.07034	39.7
95.04972	11.2
95.08603	44.2
96.08921	3.3
97.02892	8.0
97.06532	6.9
97.10188	3.1
99.04433	4.4
99.08099	5.0
105.01875	10.0
105.07030	63.4
106.07355	4.6
107.04984	3.1
107.08592	36.6
109.02848	7.2
109.06499	5.9
109.10177	25.5
111.08087	6.3
115.05457	4.6
115.07596	3.6
117.07037	4.3
119.08556	27.6
121.06525	4.3
121.10155	21.5
123.11689	9.9
125.09622	29.1
127.03925	13.8
127.07550	5.0
127.11163	7.8
130.07849	4.3
131.08586	10.3
133.06529	3.0
133.10130	83.4
134.10519	4.0
135.08012	3.6
135.11707	4.5
137.05971	8.5
137.09647	5.7
139.11229	4.1
143.08595	3.4
143.10683	38.2
144.09212	2.7
145.10141	18.4
147.11691	19.3
149.13255	30.9
151.11186	7.4
157.10208	4.3
159.02864	3.3
159.11711	15.5
161.06010	6.2
161.13293	10.5
163.11115	2.8
167.10699	3.7
167.14314	100.0
168.14746	3.5
171.11662	3.0
173.13232	6.7
175.14925	3.3
177.05513	3.9
177.12860	3.1
179.10719	3.7
191.14214	3.2
201.16374	17.1
219.17464	55.9
220.17802	4.3
237.18549	12.9
287.05392	5.9
434.11441	3.0
510.49387	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
53.59824	4.0
55.01862	4.9
55.05499	13.2
64.12121	3.5
67.05508	23.7
69.03426	16.8
69.07060	15.5
71.04987	8.5
71.31835	5.3
79.05505	25.0
81.03417	10.9
81.07059	100.0
84.04526	4.4
85.02901	22.5
86.09713	7.0
87.00829	12.2
87.07834	3.8
91.05461	27.3
93.07052	57.5
95.04966	14.4
95.08611	54.1
97.02898	9.6
99.04456	4.8
105.01849	8.1
105.07029	51.3
107.08608	43.5
107.37614	3.8
109.02862	5.2
109.06503	7.7
109.10166	32.8
111.08086	6.7
116.01611	5.6
117.07027	13.0
119.08577	58.0
120.08099	8.2
121.06507	6.6
121.10143	27.3
123.08092	5.3
123.11694	7.8
125.09656	5.9
127.03917	16.8
131.04959	3.8
131.08566	32.4
133.10126	37.7
135.08104	3.8
135.11705	13.6
137.05998	19.2
137.09590	7.9
141.39326	3.5
143.08595	8.2
145.04967	4.9
145.06453	4.0
145.10121	51.0
146.53917	4.2
147.11710	14.5
149.09642	4.9
149.13235	11.2
151.11156	6.6
157.10170	7.5
159.08018	5.7
159.11684	37.7
161.05968	6.2
161.09596	6.0
161.13222	25.0
163.11185	23.4
165.12813	4.8
167.07050	7.2
173.13237	12.3
175.14810	11.2
177.12737	5.3
177.16306	4.7
187.14839	16.0
191.17949	5.9
201.16396	39.9
203.14346	11.3
219.17459	41.9
229.83766	3.8
233.15460	4.3
339.13812	4.4
373.17719	7.2
455.31357	22.5
467.30988	4.1
485.32648	18.1
521.15784	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42653	4.2
55.05511	7.7
57.03428	6.9
59.04991	6.0
61.89535	5.0
67.05505	20.4
69.03428	14.1
69.07061	10.8
69.08435	41.8
71.04991	16.6
73.90971	4.5
79.05502	24.5
81.03418	6.8
81.07063	74.2
83.08591	8.1
85.02900	15.6
85.06549	14.9
87.00846	9.2
91.05477	34.9
93.07059	41.3
95.04974	5.3
95.08617	37.7
97.02898	11.0
97.06531	11.2
99.04455	5.0
99.08074	13.0
105.01863	12.1
105.07035	100.0
107.08604	39.3
109.02866	6.1
109.06528	6.1
109.10158	26.7
117.07031	7.7
119.08587	35.3
121.10139	35.0
123.11707	9.6
125.09641	35.5
127.03924	13.2
127.07508	5.3
131.08569	22.9
133.10141	83.8
135.11690	16.6
143.10683	59.8
145.05008	6.3
145.10130	26.9
147.11684	21.4
149.13235	8.4
159.02806	4.9
159.11714	25.1
161.13220	26.7
169.12265	7.5
173.13301	5.0
201.16342	27.2
212.34164	4.4
219.17458	48.1
231.05075	7.8
237.18471	13.4
249.06131	6.1
271.06030	12.7
272.06384	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85266	3.0
54.32928	2.7
54.86328	2.7
55.01886	2.9
55.05506	6.6
67.05494	9.3
69.03426	7.8
69.07080	6.8
69.97257	2.7
71.04996	27.3
71.14351	2.6
73.06550	3.4
74.19330	2.3
75.44248	2.4
79.05501	13.3
81.03428	3.6
81.07062	30.1
83.08665	3.8
85.02898	10.4
87.00822	6.7
91.05473	11.8
92.23271	2.9
93.07040	27.3
95.08603	41.2
97.02898	4.4
99.08106	7.0
105.01866	7.0
105.07033	39.4
107.08602	25.4
109.10149	18.3
117.89725	2.8
119.08616	8.9
121.10156	14.2
123.11702	9.4
125.09621	20.2
127.03921	6.8
131.08615	8.8
133.10135	51.4
134.10408	2.9
143.10690	29.7
145.10120	10.7
147.11691	14.5
149.13254	30.4
150.71025	2.6
151.11165	4.5
159.11665	6.8
161.13271	5.0
165.62924	2.6
167.14307	100.0
201.16420	9.4
201.25963	3.2
203.17915	3.9
219.17451	41.2
231.04843	3.5
237.18628	6.3
292.15909	3.0
329.31357	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03094	1.7
51.80307	1.6
53.03947	5.9
55.01865	1.7
55.05505	7.0
57.03447	1.9
57.07062	2.0
57.35756	1.6
59.04991	2.4
61.02906	1.8
61.25067	1.9
65.03933	2.1
67.05504	9.4
69.03429	6.6
69.07059	8.6
69.20148	12.1
71.04991	20.4
73.02906	2.3
73.06554	1.5
74.82742	1.6
79.05496	16.8
81.03433	4.8
81.07056	37.3
83.04975	6.6
85.02905	16.5
87.00337	1.8
87.00826	10.2
87.04476	3.1
91.05486	13.8
93.07045	51.5
95.04959	2.6
95.08609	16.5
97.02906	6.7
97.06532	5.3
97.10181	2.2
99.04494	2.5
103.05461	2.1
105.01853	11.3
105.07023	29.0
105.07661	2.6
107.08586	32.8
109.02888	4.2
109.06517	3.8
109.10133	13.4
111.08085	2.7
117.07006	6.8
119.08581	42.3
119.09444	2.2
120.08959	2.1
121.10144	100.0
122.10455	3.4
123.08064	3.4
123.11702	7.1
125.09645	16.3
127.03913	7.6
127.11163	9.8
129.06943	2.1
131.08546	9.7
133.10120	12.6
135.11702	18.5
137.05952	6.6
137.09558	2.0
143.08629	2.5
143.10670	30.1
144.09357	1.9
145.04961	5.5
145.10126	43.1
146.10442	2.5
147.11708	15.1
149.09622	2.3
149.13261	6.9
151.11171	5.8
155.10669	4.1
159.11703	18.4
161.13280	4.9
163.11234	3.0
165.12816	2.0
165.83405	1.8
167.10735	2.9
175.14706	2.5
183.38824	1.7
191.08556	26.4
191.17958	7.5
201.16370	16.2
219.17435	26.5
231.04996	4.7
237.18497	9.2
249.06094	4.0
329.37546	1.7
455.31491	2.1
549.96570	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	9.0
57.03429	8.9
62.06091	9.0
65.03934	8.7
67.05494	18.8
69.03426	22.8
69.07074	35.1
71.31762	9.3
72.81531	7.0
79.05500	18.2
81.03437	17.4
81.07066	46.9
83.08614	8.6
85.02905	59.4
86.09702	8.6
86.92411	7.8
87.00835	21.6
87.08115	19.3
91.05472	30.1
93.07053	69.2
95.08612	41.5
97.02885	28.8
105.01862	23.6
105.07034	41.2
107.08592	100.0
108.55779	8.6
109.02866	16.9
109.10152	19.7
115.03923	8.5
115.36315	7.3
116.37772	8.6
117.07014	13.8
119.08570	34.8
121.06514	11.1
121.10170	35.2
125.73321	8.1
127.03912	37.5
127.28098	8.4
131.08585	25.5
131.62036	7.3
133.10152	25.9
137.05992	36.1
143.08531	10.6
145.04961	16.9
145.10129	36.8
147.11789	20.1
149.13261	58.3
159.11699	20.0
161.13321	13.0
163.14844	11.2
173.13148	11.6
175.14804	9.7
187.07570	11.3
187.14812	15.7
201.16260	12.0
203.14305	9.7
219.17426	10.0
235.23488	8.4
249.10300	9.3
271.06039	47.6
272.06381	66.5
291.97855	7.4
307.76929	8.6
339.13538	17.6
367.12811	17.4
368.61142	8.6
406.10153	9.4
455.31622	22.4
477.15179	11.8
485.32565	20.2
520.20776	34.5
521.13837	77.7
521.20264	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01876	4.6
55.05518	7.3
67.05490	16.4
69.03419	12.2
69.07063	15.1
69.64664	3.5
71.04993	37.3
71.30765	8.1
79.05486	14.4
81.03422	8.6
81.07056	43.2
83.08611	5.8
85.02945	19.2
85.06552	8.1
86.09708	5.4
87.00823	7.4
91.05466	25.9
93.07049	45.3
95.04973	7.1
95.08608	41.9
97.02875	8.0
97.06525	5.2
99.08120	6.9
105.01841	8.2
105.07027	50.1
107.08600	34.0
108.49374	5.1
109.02885	5.2
109.06514	5.8
109.10163	23.1
119.08562	20.9
121.10141	16.7
123.11704	13.2
125.09662	28.0
127.03903	10.2
127.07558	5.6
130.90117	4.3
131.04884	4.4
131.08548	13.3
133.10124	83.9
135.11647	4.9
136.07576	5.3
137.06001	10.3
139.11250	4.4
143.10669	32.7
145.05032	4.4
145.10143	17.4
146.10414	4.1
147.11696	23.5
149.13261	31.4
151.11142	4.8
157.10170	4.6
159.11720	16.3
161.13252	6.8
163.73558	4.6
167.14316	100.0
173.13199	4.3
201.16360	17.0
204.06752	4.2
219.17395	52.5
237.18478	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05008	0.5
59.60719	0.3
69.03431	0.7
69.07059	0.4
70.06587	1.0
70.46700	0.4
71.04977	0.4
73.06553	2.0
79.05511	0.3
80.13119	0.3
81.07068	0.4
81.99545	0.3
86.09717	0.5
87.04465	8.8
88.81212	0.4
89.06030	100.0
90.06354	1.4
91.05478	0.6
91.07594	0.5
93.07005	0.6
95.08595	0.6
103.05463	0.4
105.06372	0.3
105.07033	1.3
107.07056	1.7
111.71897	0.4
117.09102	0.9
119.08557	0.9
120.08128	0.5
130.08640	0.7
131.07054	2.6
131.08530	0.4
133.08601	58.1
134.08946	0.9
137.05952	0.8
143.08519	0.4
145.10138	0.7
146.10455	0.4
157.10135	0.4
161.13211	0.3
167.07060	0.5
171.11647	0.4
175.09689	1.7
177.11217	18.7
178.11563	0.6
181.04956	0.5
185.13118	0.6
203.14323	0.6
214.76198	0.3
219.12187	0.6
221.13821	3.1
239.14905	0.6
251.29411	0.3
263.40979	0.3
265.16284	0.7
283.17413	1.0
309.19122	0.9
333.61957	0.4
459.27975	0.9
472.31464	2.5
503.30563	4.5
504.30688	0.5
520.24634	0.7
520.33783	1.1
521.19946	0.5
542.20764	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05030	0.7
57.03431	0.2
58.06628	0.5
59.07384	0.1
60.08165	6.7
66.23553	0.1
67.05519	0.5
69.07059	0.3
69.52098	0.5
70.06592	0.1
71.06979	0.2
71.07375	3.8
79.05475	0.2
81.07068	0.6
83.08617	0.1
86.09707	32.1
87.10043	0.4
91.05487	0.1
93.07016	0.2
95.08612	0.3
98.98466	4.3
104.10744	3.1
105.07005	0.2
107.08610	0.1
109.10159	0.2
119.08562	0.2
121.10178	0.2
123.11738	0.1
125.00004	22.9
131.08521	0.1
133.10109	0.2
143.01036	0.2
183.86472	0.1
184.07343	100.0
185.07706	1.6
258.11041	0.2
305.11002	0.1
337.27191	0.2
502.32944	1.1
520.34192	1.2
521.34320	0.2
540.22375	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13898	0.5
53.29652	0.5
55.05505	1.4
56.05037	1.7
58.06605	1.6
60.08168	17.2
65.13560	0.5
66.85889	0.5
67.05502	3.6
67.39658	0.4
68.19197	0.5
69.07043	0.9
70.45989	1.5
71.07379	7.2
74.05750	0.5
79.05481	0.9
81.07052	2.3
82.15477	0.5
86.09709	52.5
87.10046	0.5
93.07030	0.8
94.34792	0.4
95.08607	1.5
95.12324	0.5
98.98440	4.1
104.10748	100.0
105.11062	1.5
109.10149	0.7
124.45261	0.5
124.99074	0.6
125.00009	29.4
184.07353	96.3
185.07759	1.0
205.99103	0.5
224.55066	0.5
226.13615	0.5
258.11044	1.1
337.27582	1.3
479.95862	0.6
502.33047	9.1
503.33154	0.9
520.34009	21.7
521.34314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	33.7
57.07082	9.0
67.05498	38.5
69.07067	55.2
70.51339	8.8
71.31867	8.3
79.05491	27.9
81.07058	85.5
83.04986	8.8
83.08611	16.2
85.06528	13.9
91.05482	32.0
92.14004	7.7
93.07059	65.1
94.68128	9.1
95.04916	10.8
95.08601	100.0
96.08936	12.0
97.10223	8.4
105.07021	36.6
107.08607	70.6
108.08913	15.4
109.06524	10.3
109.10167	70.0
111.08099	16.9
111.11744	10.1
112.50238	9.2
117.06976	10.7
119.08540	67.4
119.51898	9.4
120.08846	8.6
121.10139	96.1
122.10510	13.4
123.11707	55.2
124.12029	10.1
125.09677	13.8
131.08578	27.9
133.10130	67.8
135.08124	9.4
135.11719	54.8
137.09589	12.4
137.13229	11.4
139.11253	14.2
143.08574	12.0
145.10147	31.1
147.11691	40.5
149.13269	26.8
151.11148	14.3
157.10167	18.0
159.11681	26.0
161.09604	10.2
161.13278	23.1
163.14810	20.5
171.11642	14.6
172.12033	8.5
173.13199	20.9
175.14871	14.9
177.16478	11.9
187.14865	17.1
188.15410	8.7
189.12746	11.9
189.16428	40.8
191.17969	19.2
193.15947	9.8
199.14893	13.6
201.16377	16.9
203.17917	18.2
213.16589	10.8
215.17928	10.7
217.15785	8.6
217.19429	12.6
255.20926	15.1
256.21454	18.8
267.20929	9.9
272.06335	8.7
297.22345	10.7
329.53867	9.6
379.29834	14.5
397.30997	27.4
414.34003	16.5
415.32086	27.1
425.29922	10.8
425.34671	13.0
439.31964	10.5
442.34464	15.2
457.32990	34.0
485.32089	13.5
520.40649	15.5
521.31940	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	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.3
50.48903	0.1
50.93830	0.1
51.02398	0.4
53.03947	0.8
55.01872	0.5
60.55684	0.1
61.02928	0.2
63.02354	0.2
65.03931	0.1
69.03429	0.4
69.46225	0.6
70.06590	0.4
76.33974	0.1
77.03897	0.6
79.05497	0.9
81.03413	0.3
84.04519	0.2
84.08134	0.1
85.02914	1.2
86.09715	0.3
91.05479	1.3
94.04137	0.2
95.04977	1.4
97.02892	0.4
98.70436	0.1
102.04705	0.5
103.05469	61.7
104.05802	1.5
105.04530	0.5
105.07031	6.0
106.07376	0.2
107.04951	0.4
115.05470	1.4
117.06992	0.2
118.04189	0.3
119.04952	1.3
120.08115	0.2
122.03661	0.3
123.04429	0.5
127.03931	0.3
131.04927	100.0
131.79288	0.1
132.05235	2.5
133.02888	0.2
133.06500	4.1
137.05974	5.1
143.06024	0.6
145.04984	0.2
145.06487	0.2
147.04405	1.3
148.05107	0.2
149.02380	0.3
149.05962	0.3
151.03841	0.2
151.07521	0.2
159.08049	0.2
161.05984	11.9
162.06387	0.3
163.03931	1.3
163.07541	26.5
164.07970	0.6
172.05208	0.4
175.07530	1.0
179.05635	0.2
179.06999	0.9
187.07545	1.9
188.07846	0.1
189.09142	0.2
191.08549	0.2
192.11617	0.1
199.07680	0.2
204.23622	0.1
217.08449	0.2
217.84604	0.1
219.08133	0.2
223.07564	0.2
251.10625	0.5
279.10126	0.5
291.10062	0.6
299.62320	0.1
311.12708	0.8
323.12769	0.2
324.36301	0.1
341.13742	0.1
359.12274	0.2
425.04837	0.1
521.15631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59122	8.0
55.05502	22.4
61.02914	11.0
67.05498	33.7
69.03418	32.8
69.03889	7.6
69.07062	15.8
71.04986	36.9
71.31336	8.0
79.05505	18.5
81.03406	11.9
81.07051	62.4
83.04972	11.6
85.02914	13.5
85.06512	10.1
86.09712	18.5
91.05473	33.1
93.07037	40.2
95.04971	24.4
95.08599	33.8
97.02893	16.3
97.06546	12.5
105.07034	54.6
106.07308	14.6
107.04953	10.8
107.08598	42.7
108.08888	8.8
109.06491	19.6
109.10149	26.6
111.08078	18.8
112.24489	9.7
115.03928	12.8
115.05426	10.0
117.07004	14.7
118.58409	10.1
119.08573	35.7
120.08099	9.8
120.08898	13.5
121.06476	9.8
121.10147	32.3
123.11714	14.4
125.09600	12.5
127.11211	50.2
131.08533	12.5
133.10124	50.3
135.11662	8.8
136.07605	9.0
137.05984	43.4
143.10622	18.4
145.10127	36.0
147.11682	28.7
149.09579	13.9
151.11163	44.7
152.07076	23.5
155.10649	24.9
159.11662	16.3
161.13225	14.0
162.05519	12.3
166.05042	8.9
167.07059	17.5
175.05899	10.4
175.14725	9.7
191.14409	16.6
201.16557	15.9
205.15869	9.0
219.17406	13.8
237.18469	100.0
238.18718	10.0
287.05603	12.3
455.31573	23.7
485.32529	12.6
521.19586	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	521.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01870	5.1
55.05517	11.6
57.07067	4.1
58.63105	2.1
62.49680	2.0
65.03957	3.4
67.05500	28.3
69.03423	12.9
69.07069	17.6
69.15282	18.6
71.05000	3.6
73.21647	2.2
79.05502	17.8
81.03431	7.1
81.07059	44.5
83.04975	7.3
83.08614	7.1
84.42143	2.2
85.02901	9.2
87.00829	4.2
91.05483	22.5
93.07040	32.2
94.07391	3.5
95.04974	20.7
95.08608	71.7
97.02897	3.8
97.06551	9.4
99.04458	7.0
105.01812	3.0
105.07027	43.9
106.07381	4.5
107.05029	2.5
107.08598	36.9
109.02898	3.7
109.06524	9.0
109.10149	28.1
111.04475	4.2
111.08092	2.3
117.07021	10.4
119.08578	71.7
120.08921	4.3
121.06512	6.6
121.10148	34.4
122.03643	4.3
122.10484	2.7
123.08060	8.3
123.11723	9.8
127.03895	3.7
128.06212	3.3
129.06995	8.9
131.08571	29.6
133.06577	3.0
133.10141	33.8
135.08076	8.0
135.11705	15.7
136.12172	2.2
137.05978	54.4
137.09598	6.0
137.13199	2.3
142.07790	5.9
143.08577	22.1
143.10643	2.5
144.09299	3.1
145.06511	5.0
145.10118	40.5
147.08066	9.1
147.11702	18.1
149.09607	6.8
149.13234	13.3
151.07626	3.4
155.08534	4.6
156.09319	4.7
157.10127	20.1
159.08087	3.7
159.11703	24.0
161.09660	6.4
161.13246	17.4
163.11226	3.7
163.14842	8.7
167.08627	2.4
169.10178	7.0
171.11618	13.2
173.09731	2.9
173.13240	20.6
175.11205	6.3
175.14812	14.9
177.12775	3.3
177.16383	7.0
183.11755	5.5
185.13277	10.2
187.11183	3.2
187.14827	47.5
189.12767	9.2
189.16350	11.0
191.08485	4.4
191.14377	5.5
192.08881	4.9
195.11594	3.7
197.13239	7.8
199.14801	16.8
201.12790	5.4
201.16377	16.6
203.14316	39.6
203.17938	4.2
205.15825	12.6
211.14757	3.7
213.16391	13.4
215.14307	7.1
215.18054	5.0
217.15794	14.1
219.17371	2.8
220.17789	4.8
225.16394	4.4
227.17900	3.7
229.15913	7.7
231.17503	4.8
233.15343	4.9
237.16389	2.7
247.17021	5.4
257.15091	2.9
287.03580	4.0
289.05286	7.0
385.28790	2.5
399.28931	3.7
402.68835	2.2
403.30002	8.7
421.31052	12.8
423.32608	2.7
431.29077	6.3
439.32050	4.2
449.30447	10.5
455.31604	100.0
456.31927	8.8
467.32086	11.5
468.31348	2.3
485.32730	50.1
486.32874	7.7
503.33359	7.6
521.20386	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	521.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82483	2.1
53.03945	3.0
55.01869	4.2
55.05509	15.4
57.03434	2.9
57.07061	2.2
62.50979	2.2
63.31100	2.0
65.03936	4.7
67.05176	2.6
67.05509	27.6
67.55180	2.1
68.62180	2.1
69.03434	15.4
69.07077	18.9
70.07396	2.4
70.97778	2.0
71.04986	11.9
71.30744	3.7
79.05498	27.8
81.03424	5.1
81.07063	79.9
83.04965	4.6
83.08607	7.5
85.02905	11.9
85.06537	3.3
87.00836	7.2
91.05485	27.7
92.05776	2.4
93.07048	56.3
94.07396	2.7
95.04975	18.4
95.08611	80.8
96.08954	2.7
97.02935	3.2
97.06538	9.0
97.10184	2.7
99.04449	3.5
99.08079	2.8
103.05462	3.0
105.01871	9.0
105.07037	64.4
106.07343	2.6
107.05025	2.8
107.08601	61.1
108.08160	3.0
108.08914	2.6
109.02894	5.6
109.06509	8.1
109.10154	40.8
111.08056	3.7
117.07011	11.1
119.08581	97.6
120.04491	3.6
120.08942	2.8
121.06537	6.2
121.10155	30.6
123.08082	6.8
123.11694	16.4
125.09608	6.0
127.03897	9.1
127.11207	15.7
128.06195	6.2
129.07018	8.8
130.07800	2.3
131.08554	31.5
132.08913	2.9
133.10138	46.7
134.10481	2.7
135.08052	8.4
135.11697	62.2
136.07600	2.5
137.05957	6.0
137.09618	8.3
137.13293	3.8
141.06996	2.9
142.07790	3.9
143.08585	15.6
143.10707	7.4
145.04948	4.6
145.10135	44.6
146.10472	4.2
147.08060	8.6
147.11694	29.3
149.08632	2.4
149.09702	5.2
149.13255	12.8
151.11224	3.1
153.12721	4.7
154.07777	2.6
155.08537	4.9
156.09311	5.5
157.10158	16.2
159.02896	2.5
159.11696	24.0
160.12177	3.4
161.09633	6.5
161.13269	24.5
163.07579	2.3
163.11203	4.8
163.14824	10.4
165.12791	3.8
167.07156	2.5
167.08505	3.1
169.10132	7.2
171.11684	12.5
173.09628	4.3
173.13264	16.7
175.11168	4.2
175.14813	16.2
177.12697	2.5
177.16370	5.5
182.09538	3.8
183.11731	7.5
184.09904	4.5
185.13197	11.9
187.11195	3.2
187.14824	42.3
189.12738	9.8
189.14673	1.9
189.16418	9.8
191.14339	7.0
196.12289	2.6
197.13251	6.1
199.12389	4.3
199.14821	12.9
201.12737	2.9
201.16399	16.9
203.14342	33.6
203.17953	35.0
205.15906	9.5
207.11739	2.7
209.13304	4.2
210.09117	5.4
211.08888	3.8
211.14886	5.9
212.09433	9.9
213.10193	5.0
213.16383	12.6
215.14383	7.6
215.17946	3.4
217.15895	10.8
219.13948	2.4
219.17581	4.2
221.18996	25.2
225.16423	4.2
226.07349	3.3
227.11838	20.6
228.12170	2.4
229.15900	8.8
231.04785	2.6
231.17447	5.5
233.15279	3.2
238.08557	3.0
239.08171	3.3
239.18010	2.7
240.08891	13.8
241.09802	15.3
241.19394	2.3
242.10332	2.7
245.18858	2.6
247.16960	3.2
255.11301	98.1
255.17329	3.3
256.11624	9.2
259.20947	2.4
271.06000	4.6
272.06339	5.3
273.06552	6.9
283.10794	36.3
284.11087	5.4
301.11899	2.4
317.06497	4.2
343.12872	3.8
403.30008	6.7
421.30945	6.4
423.32474	5.8
431.29333	3.4
439.32172	3.3
449.30475	10.2
455.31567	100.0
456.31985	10.5
467.31613	13.2
471.13864	6.3
485.32672	56.9
486.33051	10.6
489.15030	27.2
490.15793	4.0
503.33627	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	521.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01884	2.8
55.05512	10.7
57.07084	2.1
65.03968	1.6
67.05509	22.9
67.88832	1.3
69.03421	10.8
69.07072	9.4
71.04996	3.8
77.64198	1.5
79.05483	16.4
81.03422	1.9
81.07067	25.9
83.04981	5.2
83.08627	4.4
85.02909	6.3
85.06572	2.2
91.05477	23.6
93.07043	34.4
95.04979	17.8
95.08609	68.5
96.08949	2.6
97.02911	2.0
97.06535	8.0
97.10201	2.1
98.22579	4.6
99.04455	2.8
99.08092	1.8
100.99887	1.5
103.05458	4.6
105.07035	39.7
106.07359	3.2
107.04940	2.4
107.08593	33.2
109.02829	2.0
109.06509	10.7
109.10148	22.8
111.08089	3.6
115.05482	2.9
116.06203	1.8
117.07043	8.9
119.08583	69.8
120.08897	3.1
121.06516	6.2
121.10145	24.3
122.10507	2.6
123.08058	7.7
123.11705	4.4
125.09662	3.0
127.03971	1.5
128.06177	2.2
129.06992	5.6
130.07805	2.3
130.84688	1.8
131.04919	2.8
131.08572	28.8
133.06516	6.7
133.10121	30.1
134.10480	2.5
135.08095	7.6
135.11697	11.4
137.05994	6.8
137.09624	5.8
142.07788	3.7
143.08569	18.0
143.10670	1.7
144.09355	2.2
145.06508	2.0
145.10123	41.9
146.10501	3.1
147.08055	11.0
147.11674	18.0
148.12140	2.7
149.09669	4.9
149.13216	8.2
151.11250	1.6
153.09210	2.0
155.08563	4.6
156.09357	3.7
157.10127	19.9
158.10841	2.5
159.08064	2.4
159.11684	24.1
160.12032	2.3
161.06013	5.8
161.09587	7.2
161.13242	16.8
163.07536	2.4
163.14868	7.0
165.12749	2.4
168.09424	2.2
169.10165	5.5
170.10938	3.5
171.11664	9.8
173.09737	1.7
173.13257	19.6
175.11230	2.8
175.14816	13.6
177.12813	3.4
177.16408	6.3
182.10956	2.4
183.11737	5.5
184.12430	2.2
185.13261	11.2
187.14816	45.9
188.15179	2.7
189.12781	7.3
189.16422	11.6
191.07031	1.7
191.14334	4.2
193.08525	1.8
197.13310	4.8
199.14781	12.7
201.12794	1.8
201.16406	15.9
202.16704	2.0
203.14313	35.2
203.18044	3.6
204.14742	1.7
205.15894	10.4
209.13292	2.6
211.14781	2.5
213.16348	11.6
215.14331	9.3
215.18022	4.5
217.15883	12.0
219.17479	5.1
220.17827	5.2
221.15408	3.2
225.16434	3.3
227.14183	1.7
227.17995	3.4
229.15886	6.7
231.17476	4.3
233.15436	3.7
239.17978	4.0
241.19389	2.5
245.06383	4.4
245.15456	2.8
247.16893	3.4
251.18222	2.5
253.19550	3.5
259.17020	1.7
267.20966	1.7
289.05286	13.5
307.24112	1.8
371.25787	1.8
383.11197	1.5
385.29099	2.0
403.29959	7.0
405.31619	4.1
421.30994	11.8
423.32480	5.0
431.29300	4.3
439.32013	4.8
449.30402	9.8
455.31558	100.0
456.31903	7.2
467.31531	14.5
477.20978	4.4
485.32639	59.0
486.32733	5.3
496.34674	2.2
503.33548	9.7
514.22180	1.7
521.20056	31.0
522.20428	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	521.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.05505	8.2
55.88676	2.0
57.03428	2.4
57.07073	3.1
67.05502	17.9
69.03439	9.2
69.07063	12.6
71.04987	2.0
77.42580	1.7
79.05490	13.5
81.07063	28.5
83.04987	2.0
83.08640	3.7
85.02910	4.9
87.00822	2.1
91.05482	20.0
93.07053	29.5
95.04971	15.4
95.08611	58.9
95.59748	1.9
97.02882	2.6
97.06527	6.4
98.22626	4.2
99.04472	2.5
105.07037	33.4
106.07333	3.0
107.08601	32.5
109.06550	5.4
109.10170	21.2
111.08064	4.4
117.07027	9.1
119.08580	55.0
120.08878	2.9
121.06489	5.4
121.10134	19.0
123.08080	7.4
123.11717	5.1
125.09618	3.7
127.03928	2.1
128.06190	2.6
129.06996	5.9
131.08583	20.4
133.06541	1.9
133.10127	24.0
135.08037	7.6
135.11714	13.8
137.09604	6.3
137.13188	2.3
142.07776	4.3
143.08578	13.3
144.09331	3.3
145.10132	39.1
146.10445	1.9
147.08063	5.2
147.11708	13.2
149.09634	5.0
149.13295	9.1
155.08563	3.6
156.09248	3.3
157.10147	18.8
158.10596	2.5
159.08064	3.2
159.11705	22.3
161.09612	5.2
161.13283	16.0
163.11148	3.7
163.14822	5.6
169.10107	6.3
170.10855	2.1
171.11705	11.0
172.12459	1.9
173.13264	17.8
175.11224	2.8
175.14844	13.3
177.12640	2.6
177.16348	3.4
179.14346	2.1
181.10002	2.1
183.11639	6.0
185.13231	9.6
187.14833	39.8
188.15114	2.8
189.12741	7.1
189.16422	10.1
191.14316	4.6
197.13301	4.8
199.14825	14.7
201.16438	15.6
203.14326	36.7
203.18011	2.0
205.15904	10.4
209.13376	2.8
211.14803	5.1
213.16357	12.8
215.14333	7.7
217.15921	10.7
219.17526	3.7
225.16446	5.0
227.18050	2.6
229.15918	6.0
231.17493	6.2
233.15401	4.9
239.17929	2.4
243.17439	2.4
247.16948	2.8
257.19229	2.3
267.17545	2.1
385.29089	2.1
391.30103	2.8
403.30099	8.9
421.31113	14.1
423.32471	2.3
431.29514	3.4
439.32074	3.0
449.30167	6.3
455.31613	100.0
456.31805	6.9
467.31570	12.7
485.32629	55.8
486.33176	5.4
503.33557	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	521.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
65.03945	3.0
67.05498	23.3
67.30278	2.6
67.96905	2.8
69.03426	6.5
69.07069	6.9
69.69260	3.0
71.04962	5.3
79.05505	14.9
79.56777	3.0
81.07064	21.1
83.04975	2.8
91.05482	19.8
93.07065	21.7
95.04967	16.5
95.08609	64.2
97.06513	3.5
99.04481	4.4
105.07019	35.5
107.08590	31.2
109.10151	19.1
117.07022	3.9
119.08576	59.5
121.06513	7.1
121.10126	22.0
123.08070	9.1
123.11707	5.3
128.06190	4.1
129.07011	5.5
131.08595	26.3
133.10135	27.0
135.08086	7.8
135.11697	9.9
137.09625	3.9
137.13419	3.0
142.07790	4.5
143.08591	16.4
144.09355	3.4
145.10127	43.4
147.08041	8.1
147.11723	16.0
149.09679	7.2
149.13277	5.4
154.69327	3.2
155.08556	4.3
156.09415	3.9
157.10139	21.1
159.11691	27.3
161.09628	8.9
161.13275	13.7
163.14825	8.0
169.10136	8.0
171.11690	9.5
173.13266	17.1
173.57845	3.3
175.14847	12.7
177.16483	3.8
183.11696	6.5
183.18842	2.7
185.13243	8.9
187.11171	3.6
187.14821	43.7
188.15167	4.4
189.12752	9.2
189.16396	10.8
191.14339	6.0
197.13257	9.8
199.14816	19.9
201.16437	19.0
203.14308	42.0
203.17940	4.3
205.15913	11.7
211.14760	5.2
213.16353	16.1
215.14311	8.4
215.18024	4.6
217.15915	15.1
223.14801	3.3
225.16400	5.5
227.17973	7.4
229.15950	9.4
231.17473	7.1
233.15356	4.5
241.19429	3.4
257.19040	3.3
277.41315	2.9
279.71863	3.4
290.10431	3.0
400.26807	3.3
403.30161	7.2
403.50986	3.0
405.31412	3.4
421.30988	16.7
431.29388	6.9
437.30768	3.7
439.32260	5.4
449.30524	8.9
455.31543	100.0
455.37991	4.9
456.31717	9.7
467.31693	16.3
485.32645	60.1
486.33072	7.8
503.33688	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	521.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55840	2.8
55.05496	7.4
59.27797	2.8
67.05496	21.7
69.03422	8.6
69.07065	9.9
70.67917	2.7
71.05003	3.8
79.05482	14.3
81.03406	4.6
81.07059	26.0
83.08546	2.9
85.02901	7.1
91.05478	17.3
93.07059	29.6
95.04987	13.8
95.08608	44.9
97.02879	5.0
97.06512	5.4
99.04431	3.8
105.07046	35.7
105.16775	2.7
107.08602	28.9
109.10165	23.0
111.08109	4.3
117.06989	7.8
119.08583	49.6
121.06499	6.2
121.10152	20.4
123.08079	12.2
123.11701	6.9
129.06964	6.6
131.08574	26.4
133.10150	26.8
135.08032	7.4
135.11690	9.2
137.06000	5.6
137.09592	4.8
137.13234	3.2
142.07794	4.3
143.08560	13.5
145.10114	32.9
147.08128	9.1
147.11667	15.3
149.06003	3.7
149.13229	7.4
151.11235	3.5
155.08511	4.2
156.09259	3.0
157.10135	13.1
159.11696	21.1
161.09613	5.7
161.13258	10.9
163.11119	3.5
163.14806	5.7
166.86945	3.1
169.10144	7.9
171.11664	9.6
173.13260	22.6
175.14853	15.2
177.16385	4.9
183.11719	5.4
185.13277	9.1
187.14833	49.9
189.12738	4.6
189.16473	3.9
197.13289	8.0
199.14798	14.7
201.16397	20.6
203.14307	37.7
203.18050	3.3
205.15872	10.6
211.14864	5.7
213.12950	3.2
213.16357	11.8
215.14285	7.4
215.17943	3.9
217.15924	12.3
219.17322	4.3
223.14859	4.6
227.17859	5.0
229.15681	4.0
231.17323	6.7
233.15321	5.5
247.16974	4.8
255.11252	7.4
271.05966	14.9
272.06445	11.8
273.06628	13.3
287.05328	4.6
403.30005	9.5
421.31061	7.7
422.31610	3.9
423.32614	4.6
449.30386	10.1
455.31540	100.0
456.31723	7.2
467.31732	14.3
485.32538	52.1
486.32983	4.6
503.33521	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	521.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.05510	7.2
56.92551	2.4
57.84839	2.2
58.60767	2.7
60.62488	3.0
62.07403	2.2
65.03937	3.0
67.05520	17.0
69.03430	8.4
69.07068	6.4
74.88982	2.9
79.05503	12.3
81.07077	21.9
83.04992	2.7
83.08620	2.9
85.20426	2.5
91.05486	19.5
93.07048	29.4
95.04961	16.3
95.08613	57.9
97.06534	5.7
105.07034	39.6
107.08598	30.7
109.06532	6.1
109.10175	20.4
117.07018	8.1
119.08578	58.7
121.06505	7.4
121.10157	22.9
123.08099	10.0
123.11702	7.8
128.06187	2.9
129.06998	7.2
130.07733	2.5
131.08574	31.2
133.06526	3.7
133.10126	30.2
135.08073	6.0
135.11691	11.1
137.09637	5.5
142.07790	3.8
143.08545	15.3
145.10135	47.4
147.08058	8.9
147.11678	19.2
149.09648	4.3
149.13287	5.5
155.08519	7.0
157.10115	17.1
159.11719	22.8
161.09634	9.1
161.13278	18.4
162.02679	2.3
163.11159	2.9
163.14885	7.8
169.10143	9.0
170.10904	3.6
171.11732	8.8
173.13293	14.8
175.11171	5.2
175.14830	11.7
177.16435	3.6
179.14282	2.7
182.10873	2.9
183.11717	6.3
185.13306	15.6
187.11261	2.8
187.14819	47.5
187.16376	4.0
188.15218	4.2
189.12753	6.4
189.16440	9.4
191.14372	5.7
195.11649	3.1
197.13310	5.1
199.14899	13.6
201.16472	15.2
203.14330	37.8
205.15804	12.7
209.13374	3.5
211.14806	6.9
213.16438	14.8
215.14330	10.4
215.17868	3.0
217.15877	11.1
219.17325	2.8
225.16431	3.3
227.17961	4.5
229.15894	8.2
231.17479	6.5
233.15442	4.3
245.15263	3.5
391.29865	3.0
403.30112	5.7
421.30927	9.5
423.32422	5.8
439.32297	4.6
449.30692	7.6
455.31583	100.0
456.31757	10.0
467.31421	14.6
485.32623	53.7
486.32846	6.0
503.33508	7.3
521.19812	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82880	3.2
55.01887	3.9
55.05512	13.9
55.91521	3.4
57.07077	3.9
63.29147	3.5
67.05508	26.5
69.03434	11.6
69.07058	16.5
77.24123	3.7
79.05485	19.6
81.03397	5.6
81.07067	42.0
83.05003	4.2
83.08639	9.1
85.02901	6.0
89.24281	3.2
91.05476	26.7
93.07050	41.1
95.04946	19.1
95.08044	7.2
95.08613	72.6
97.02909	6.8
97.06525	5.3
97.10134	3.7
99.04446	6.2
101.59409	3.7
105.07030	36.6
107.04938	4.7
107.08584	34.2
109.06544	4.4
109.10165	30.0
117.07019	10.7
119.08572	56.5
121.06491	8.4
121.10137	22.8
123.04412	3.9
123.08086	8.1
123.11707	12.9
127.03946	4.2
129.07045	7.3
131.08574	27.8
133.10133	24.0
135.08070	10.0
135.11722	16.1
137.05983	3.7
137.09653	4.5
142.07794	6.3
143.08571	17.4
145.10114	39.8
147.08051	5.9
147.11690	15.1
147.19189	3.3
149.09648	5.7
149.13248	11.8
155.08513	5.0
157.10147	18.0
159.11681	23.4
161.09651	9.3
161.13231	22.7
163.14804	8.1
167.06955	3.7
169.10136	7.5
171.11723	7.5
173.13300	20.0
175.14836	10.3
177.12714	4.1
183.11702	5.9
185.13303	11.9
187.14815	37.3
189.12749	8.0
189.16411	10.2
191.14284	4.7
199.14893	13.3
201.16403	12.0
203.14345	37.5
205.15854	7.1
209.13164	4.5
211.14890	4.2
213.16438	10.2
215.14450	6.6
215.17941	7.4
215.27060	3.5
217.15887	10.5
222.24278	4.0
229.15982	6.3
231.17349	7.0
233.15457	4.1
389.10205	3.9
403.29971	5.9
421.30829	10.2
423.32413	3.7
449.30511	10.4
455.31601	100.0
456.31534	8.3
467.31488	14.4
485.32675	55.6
486.32709	8.5
503.33853	7.3
521.19720	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	521.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05517	8.9
61.58591	2.1
63.22846	2.2
67.05505	16.6
67.70193	2.0
69.03429	10.0
69.07072	5.2
70.18472	2.7
70.18792	3.7
79.05495	11.3
81.07060	23.3
83.08610	2.3
91.05475	21.2
93.07052	20.5
93.91644	2.1
95.04956	14.9
95.08608	60.8
105.07034	33.9
107.08606	35.0
109.06504	6.0
109.10161	15.3
113.76564	2.3
115.05460	3.3
116.06319	2.7
117.07034	6.5
119.08587	60.9
119.09444	3.1
121.06510	6.9
121.10147	20.9
123.08089	8.1
123.11706	6.3
129.07037	3.3
131.08574	22.8
133.10126	20.0
135.08073	6.5
135.11713	9.5
137.06000	5.3
137.09615	4.8
143.08601	13.0
145.06509	2.3
145.10132	34.4
147.08070	7.7
147.11691	19.0
149.09607	4.2
149.13287	8.4
155.08542	3.7
157.10109	15.8
157.90964	2.2
159.08093	2.7
159.11682	20.3
161.09627	8.2
161.13243	12.6
163.07439	3.4
163.14833	5.1
169.10117	5.3
171.11716	8.3
173.13287	12.2
175.11195	4.5
175.14792	12.3
177.12657	2.7
177.16469	3.5
183.11722	5.7
185.13286	11.5
187.14810	38.6
189.12770	9.1
189.16394	8.6
191.14374	5.5
197.13245	4.1
199.14856	12.5
201.16373	18.1
203.14336	34.7
205.15887	9.9
207.11710	2.5
211.14864	4.0
213.16457	10.0
215.14359	8.6
215.17825	2.8
217.15950	10.3
219.17363	3.8
225.16440	2.8
227.18051	5.0
229.15892	6.7
231.17610	6.7
233.15321	5.4
239.17810	3.3
241.19502	2.3
245.15492	2.7
325.94876	2.4
336.13666	3.8
360.83099	2.8
363.79922	2.5
370.45200	2.5
403.29962	5.8
405.31650	2.7
421.31061	7.9
423.32541	4.8
431.29419	3.3
439.32199	5.2
449.30624	9.4
455.31567	100.0
456.31592	10.6
467.31339	11.0
485.32584	58.2
486.32886	3.4
488.70291	2.8
496.34192	4.1
503.33633	9.8
521.18335	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	521.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.05507	8.2
65.03925	3.8
67.05505	20.7
69.03425	12.4
69.07057	8.4
70.06563	2.8
70.17421	8.4
71.04987	2.9
79.05496	20.3
81.03436	5.4
81.07066	34.0
83.04984	4.4
83.08621	6.0
85.02914	4.5
85.06535	3.7
86.09725	5.7
91.05483	28.0
93.07052	35.1
95.04977	16.9
95.08041	4.7
95.08614	61.7
97.02887	2.8
97.06488	5.4
98.98458	4.4
99.04488	3.2
103.05469	10.1
105.07035	45.1
107.04981	4.7
107.08592	36.4
109.02896	4.7
109.06506	8.9
109.10165	20.5
111.08072	4.5
117.07003	10.8
119.04880	3.0
119.08591	70.0
120.08091	4.0
121.06519	6.3
121.10146	31.6
123.08075	11.7
123.11755	4.3
125.09634	2.9
128.06265	3.1
129.06993	9.4
131.04935	12.0
131.08562	33.6
133.06499	5.2
133.10149	27.5
135.04439	3.1
135.08037	10.1
135.11638	12.6
137.05978	27.1
137.09598	6.1
138.06360	2.9
142.07742	3.4
143.08577	24.3
145.10143	42.4
147.08055	9.1
147.11688	24.1
149.06032	3.3
149.09645	6.4
149.13258	7.4
151.11292	2.4
155.08554	5.8
156.09451	3.2
157.10178	14.9
158.10788	2.9
159.08107	4.0
159.11696	28.2
161.05942	7.1
161.09607	7.5
161.13249	18.2
162.09941	3.6
163.03938	5.8
163.07515	5.8
163.11198	3.7
163.14857	5.3
165.09171	3.6
167.07108	8.3
169.10138	6.6
171.11697	14.7
173.13275	24.5
175.11215	4.8
175.14827	14.9
177.16441	4.0
181.04961	5.1
183.11668	6.4
185.13287	15.5
187.07585	3.3
187.14830	53.3
188.15115	3.7
189.12737	11.0
189.16371	16.6
191.14333	4.0
197.13252	7.3
199.14842	13.7
201.12747	5.0
201.16414	17.0
203.14334	42.5
205.15904	13.6
209.13226	3.2
211.14789	6.5
213.16397	15.5
213.67993	2.6
215.14388	7.7
215.17931	6.6
217.15866	12.3
221.15332	3.6
225.16217	3.2
227.17909	5.3
229.15816	9.1
231.17436	5.4
233.15291	5.7
239.18050	3.2
247.17006	3.6
249.33084	2.8
287.05493	9.7
288.05814	4.7
323.09021	3.7
341.10281	3.1
342.21219	4.5
385.28699	3.7
391.29883	3.5
403.29938	8.6
405.31424	3.2
421.30975	12.2
423.32477	5.4
431.29645	3.4
439.32153	6.5
449.30438	10.2
455.31567	100.0
456.31784	10.6
467.31491	13.0
485.32629	64.2
486.32761	10.6
503.20224	3.1
503.33466	10.3
521.19330	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	521.3606
Annotation	U-83836E
Peak:m/z	Relative Intensity
51.16835	0.7
53.04403	0.7
55.05518	1.5
63.55147	0.7
67.05497	2.4
69.05690	7.8
69.07066	1.4
74.23956	0.9
79.05525	1.9
81.07057	3.4
83.08643	1.4
93.07054	2.4
95.08623	4.3
105.07050	0.9
109.10177	2.4
121.10151	1.5
133.10188	1.1
135.11629	1.1
139.04453	0.8
165.79909	0.8
188.18063	0.8
236.62265	0.8
270.45593	0.9
285.55817	0.8
344.18021	0.8
390.93887	0.9
391.60971	0.9
461.33951	3.2
521.36035	100.0
522.36273	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	522.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90769	1.4
56.60700	1.4
62.78545	1.4
69.03418	4.2
70.06606	2.2
71.20555	2.6
81.03457	1.5
84.04500	2.5
84.08126	2.3
85.02904	7.4
86.09720	3.5
91.05485	18.0
95.04968	1.6
97.02927	1.7
99.38940	1.5
103.05470	6.5
104.05788	2.8
104.27376	1.8
105.07007	2.1
109.20277	1.4
110.09646	1.9
119.04937	28.3
120.08097	6.8
129.10205	2.5
130.53624	1.3
131.04890	8.1
132.05237	4.7
137.05968	3.7
138.09166	1.6
145.02893	2.6
145.04922	2.1
147.04411	21.7
157.03981	3.2
161.05966	4.3
163.03909	3.4
163.07552	3.3
173.13315	2.0
173.38986	1.6
175.03918	39.5
177.05475	3.6
199.83081	1.3
207.06526	100.0
208.06850	4.1
267.25955	1.4
277.23254	1.5
311.78052	1.7
319.73050	1.6
363.11844	1.8
428.87344	1.6
522.22491	4.9
523.23322	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	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
59.65639	0.4
61.02918	0.6
65.03931	1.0
66.56342	0.3
69.03432	1.5
69.27292	0.7
69.27702	1.5
70.06588	1.3
71.04982	0.4
72.08157	0.8
73.02914	0.5
79.05479	0.5
81.03426	0.6
82.06587	0.3
84.08138	0.6
85.02905	3.8
86.09687	0.5
89.03942	0.5
91.05483	16.1
92.05813	0.3
93.07030	0.4
95.04998	0.4
95.08628	0.3
97.02908	1.5
98.22644	0.6
98.46038	0.3
103.05460	2.3
104.05805	0.6
105.03387	0.5
105.07030	0.9
107.04929	0.7
109.02856	0.6
117.07000	0.4
119.04948	23.6
120.08096	1.4
121.08404	0.4
123.04415	0.4
127.03887	1.0
129.03493	0.4
129.10211	0.5
131.04922	3.3
132.02057	1.0
132.05276	1.1
133.06488	0.6
135.04420	0.6
136.05208	0.3
137.05974	1.3
138.06343	0.4
145.02864	0.4
145.04974	0.9
147.04410	22.7
148.04788	0.6
149.02356	1.7
153.71492	0.4
157.03972	2.7
161.05972	1.2
163.03963	2.2
163.07489	0.5
164.04655	0.6
164.07896	0.6
174.03081	0.4
175.03908	40.8
176.04280	1.3
177.05339	0.3
179.07077	1.7
180.08720	0.5
192.04198	0.7
193.08688	0.3
207.06526	100.0
208.06888	3.4
213.12398	0.4
280.10596	0.8
287.10483	0.4
310.17551	0.4
311.12555	0.3
312.12927	0.4
341.14297	0.4
342.14191	0.5
378.52319	0.3
445.45123	0.3
522.21167	0.5
522.29999	0.9
523.18256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01880	0.9
55.29201	0.3
56.05033	0.5
57.03429	0.8
58.77652	0.4
60.04519	0.4
61.02925	1.4
69.03430	2.3
70.06591	2.0
72.08154	1.5
73.83212	0.4
79.05498	1.2
81.03419	0.9
84.04495	0.6
84.08139	3.3
85.02905	10.1
86.09721	1.1
87.04497	0.4
89.03901	4.3
89.96687	0.4
91.03957	0.5
91.05479	1.6
95.04969	0.5
97.02879	3.0
99.04468	0.4
103.05473	1.6
105.07030	1.0
107.04963	2.2
109.02889	0.7
111.04383	0.5
115.05444	0.8
117.03378	5.8
117.07000	0.8
119.04941	2.2
120.08102	1.5
121.02820	0.4
121.06496	0.4
127.03918	1.7
128.06033	0.4
129.10251	1.7
131.04913	3.2
133.06502	1.0
135.04411	15.0
136.07541	0.8
139.03912	0.9
144.05629	0.4
145.02840	12.4
145.03975	0.8
145.04889	3.1
145.06558	0.6
147.04413	3.0
147.07915	0.5
161.06004	1.6
163.03903	100.0
163.07469	2.3
164.04268	3.0
167.07033	1.3
173.05978	0.7
175.03928	2.3
175.07430	0.6
177.05435	2.5
180.08740	0.7
181.04958	42.5
182.05296	1.0
187.07512	1.2
190.06116	0.5
191.07039	1.2
193.08533	1.9
195.10123	0.6
201.09232	0.4
205.08611	1.0
207.06543	6.2
207.10135	0.5
208.06787	0.4
211.07486	0.5
215.06956	0.9
219.10115	0.6
221.08154	0.8
233.08173	0.6
235.09708	0.9
239.07007	0.5
243.10161	0.8
247.09680	2.3
261.11264	0.5
265.10733	0.8
271.09625	0.7
274.08737	0.4
281.10284	1.0
289.10730	1.7
307.11761	3.1
312.72256	0.4
325.09311	0.7
325.12811	3.2
354.47995	0.4
441.04373	0.4
501.38773	0.4
522.16168	2.1
522.29309	0.8
523.38623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06366	0.2
55.01871	0.4
57.03431	0.3
61.02933	0.4
63.02385	0.6
69.03429	1.2
70.06590	1.1
71.30759	0.3
72.08149	0.5
73.02901	0.4
74.06074	0.2
76.03137	0.2
78.04728	0.5
79.05478	0.3
81.03410	0.5
84.04526	0.4
84.08151	1.1
85.02908	3.1
86.09715	0.7
87.05619	0.3
89.03925	6.2
91.03920	0.3
91.05491	1.0
95.04943	0.4
97.02918	1.1
99.04472	0.4
103.05473	1.6
104.05800	0.5
105.07050	0.9
105.51524	0.3
106.04179	0.5
109.02908	0.4
110.07167	0.5
115.05484	0.3
117.03383	19.3
119.04932	1.1
120.08123	0.8
121.06512	0.3
127.03897	0.7
129.10236	0.8
131.04907	1.8
132.05266	0.8
133.06470	1.4
134.03641	1.1
135.04413	1.4
136.07530	0.3
145.02849	47.4
146.03169	1.0
147.04399	1.1
149.05989	6.8
161.06000	2.3
163.03946	1.3
163.07561	0.6
167.07040	0.3
175.03877	0.5
175.07497	0.3
177.05470	100.0
178.05846	3.2
179.07077	0.3
180.08679	0.3
181.04944	0.4
181.08681	0.3
186.05484	0.3
187.07478	0.4
191.07024	0.3
193.08553	2.1
203.07126	0.3
207.06577	1.3
215.06892	0.3
219.10117	0.3
229.08627	0.3
230.64211	0.2
247.09712	0.9
289.10684	0.6
307.11890	1.1
325.09143	0.5
325.12772	0.9
370.05673	0.3
522.15796	0.5
522.29498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62517	2.6
55.01872	12.8
57.03435	11.6
61.02917	6.0
62.27798	2.6
69.03431	42.7
71.04990	4.0
71.26850	5.3
73.02924	4.5
78.16681	2.9
81.03438	5.9
85.02905	100.0
87.01543	3.0
87.04478	4.6
97.02895	42.5
99.04447	7.4
101.02389	4.4
104.07072	2.7
109.02879	6.6
115.03931	3.3
127.03915	80.7
132.00197	2.7
141.28647	3.0
145.04965	73.8
163.06021	31.6
164.80444	3.3
203.81805	2.8
253.07191	2.9
270.30899	2.8
289.09167	5.8
336.99777	3.1
425.04254	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	522.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.0
57.03436	10.5
61.02925	4.1
63.37547	1.0
68.21627	0.9
69.03428	38.0
69.07866	3.8
69.08303	4.4
71.04990	1.6
73.02918	5.1
81.03423	5.6
85.02906	100.0
87.04476	1.3
97.02891	36.5
99.04444	8.9
101.02385	7.5
104.14051	1.1
109.02876	8.1
115.03951	3.7
124.06244	0.9
127.03915	81.7
128.04228	1.2
145.04956	75.1
163.06013	25.8
181.04886	1.1
192.73930	1.0
197.73848	1.2
199.05962	1.1
212.50496	1.0
223.05952	2.4
247.08168	1.2
253.07054	1.8
259.08118	2.8
271.08154	3.0
289.09229	5.1
325.11380	3.2
452.84131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01882	2.5
55.09837	1.4
57.03421	2.2
69.03440	5.1
70.06592	4.2
70.76797	4.7
72.08157	5.9
74.06079	1.7
81.03403	3.3
82.38117	1.7
84.04507	2.2
84.08147	9.7
85.02911	19.6
86.09705	6.9
89.03922	5.1
91.05490	19.3
97.02883	4.5
101.70851	1.9
103.05473	43.4
105.07048	4.8
107.04962	5.7
110.07137	3.0
115.05478	4.7
117.03378	6.3
117.07053	2.3
119.04951	23.9
120.08100	4.2
121.06509	1.8
127.03900	4.6
129.10233	6.1
129.88365	1.4
130.08688	2.4
131.04930	100.0
132.05254	2.8
133.06519	3.2
135.04445	14.3
136.07602	11.5
137.06017	3.7
145.02875	10.7
145.04994	4.8
145.06502	3.5
147.04401	24.3
147.08008	2.1
147.11311	2.4
157.04002	2.8
159.08040	2.9
161.05968	4.5
163.03914	74.2
163.06114	2.3
163.07541	50.3
164.04247	2.8
165.07021	2.2
167.07057	5.5
173.06007	3.7
175.03917	37.1
175.07513	2.2
177.05478	13.0
181.04980	32.7
187.07500	4.7
191.07053	4.4
193.08560	6.9
195.10135	2.0
203.07112	2.2
204.07922	2.3
205.08533	3.1
207.06540	85.0
208.06874	4.7
215.06961	2.0
219.10237	2.2
221.08138	2.7
228.17209	1.6
229.08585	2.1
232.07431	3.0
233.07985	4.2
235.09676	5.7
243.10251	1.9
246.17986	2.6
247.09650	10.6
249.16110	2.7
257.08630	1.6
259.09750	2.3
261.11212	3.8
265.10696	2.7
271.09845	2.3
275.09210	2.5
281.10202	3.3
289.10669	6.8
307.11835	9.7
325.12827	18.8
330.58133	1.6
375.42938	2.1
522.16260	3.3
522.32007	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	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03447	3.1
58.30507	1.7
61.02935	3.4
66.97563	1.3
69.03453	6.7
69.65861	6.0
70.06591	5.6
71.04996	1.4
72.08156	2.7
73.02911	1.6
76.17159	1.4
79.05502	2.5
81.03429	3.5
84.04541	2.5
84.08137	6.7
85.02910	25.5
86.09718	4.1
89.03915	7.9
91.05495	6.9
97.02892	10.4
98.22676	2.7
103.05463	9.3
104.07143	1.8
105.03387	1.6
105.07051	4.4
107.04956	5.8
111.04449	1.6
115.05480	4.3
117.03377	19.7
117.07040	4.1
119.04945	5.7
120.08117	5.4
121.06527	2.4
124.03908	1.4
127.03956	6.5
129.06966	3.2
129.10262	4.6
131.04933	18.7
131.08586	3.7
133.06485	3.5
135.04402	7.2
136.07603	1.9
137.06027	2.9
144.05702	2.2
145.02869	50.4
145.04980	4.1
145.06499	6.0
146.07253	1.8
147.04410	8.7
147.08072	3.0
149.05977	7.1
155.06018	1.5
157.06505	3.2
158.07300	1.8
159.04384	2.4
159.08067	4.6
160.05226	2.1
161.05978	4.0
163.03923	42.0
163.06212	2.4
163.07584	9.4
164.04259	1.9
165.07030	2.7
167.07051	12.5
169.06482	2.3
173.06017	3.5
175.03931	10.4
175.07558	6.4
177.05479	100.0
178.05890	4.4
181.04956	15.3
181.08600	11.0
183.08029	1.8
185.05952	3.0
187.07542	10.9
189.05531	2.2
189.09151	1.7
190.06464	1.5
191.07031	6.3
192.07768	1.7
193.08585	14.7
195.10187	3.0
197.89154	1.5
199.07512	1.8
201.09183	2.2
202.06218	1.8
203.07098	6.5
204.07802	2.6
205.08647	6.8
207.06546	25.9
207.10149	4.3
209.08122	1.8
211.07570	2.2
215.07030	3.7
217.08627	2.3
219.06549	4.0
219.10190	4.5
220.07367	5.5
221.08081	3.7
229.08423	2.6
231.06488	4.8
231.08719	1.8
233.08096	5.4
235.09599	7.7
239.07124	2.4
243.10211	4.3
245.08163	4.1
247.09740	11.8
249.30136	1.4
257.08066	1.6
261.11282	4.2
263.09113	11.6
265.10721	5.8
271.09564	2.3
277.10788	2.1
281.10184	10.0
289.10678	6.1
307.11786	26.2
325.12827	43.3
326.13083	2.5
522.16187	3.4
522.29584	2.9
523.17157	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.7
57.03439	2.6
57.07084	1.1
60.08151	1.0
60.86487	1.0
62.98259	10.0
67.05505	10.7
69.07063	6.3
69.34401	0.9
69.52481	5.1
79.05496	3.5
81.07063	11.6
83.08634	2.3
86.09725	3.9
87.10040	1.2
88.04013	2.5
91.05460	1.9
93.07054	4.0
95.08617	9.2
98.98469	2.1
104.10751	1.7
105.07027	1.3
107.08657	1.3
109.10172	2.4
109.10858	1.2
121.10177	1.0
124.93775	45.4
125.00050	3.4
133.10179	1.4
142.94861	4.0
167.97993	35.6
184.07326	8.4
185.07692	3.4
185.99055	4.3
186.07823	2.1
198.97426	15.8
216.98573	2.1
337.27341	34.5
338.27664	1.6
461.20398	100.0
462.20740	6.7
462.26898	1.0
479.21509	1.9
522.25708	75.3
523.25970	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	522.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90969	0.9
55.05511	1.5
61.52858	0.6
61.67133	0.7
62.98260	1.5
63.08419	0.7
67.05495	2.4
69.07067	2.2
69.65938	1.6
69.66342	2.3
76.29401	0.8
79.05508	0.7
81.07066	1.9
83.08611	1.0
85.88530	0.8
93.07029	1.1
95.08637	1.9
98.22623	0.9
107.08636	1.0
121.10128	0.8
124.93771	72.1
135.36726	0.7
142.94814	15.3
167.97975	44.4
176.99287	1.6
185.99022	13.1
186.00587	1.0
198.97441	7.6
337.27347	6.5
371.47134	0.8
461.14420	1.1
461.20456	16.0
462.20636	1.3
466.21408	0.9
479.21515	4.9
522.25684	100.0
523.25732	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01874	4.9
55.05505	7.8
57.03435	36.4
61.02924	14.0
63.69056	2.7
67.05498	9.3
69.03429	30.8
69.07079	15.2
70.06593	8.9
70.91502	3.1
71.01357	14.0
71.05002	4.0
72.08147	5.9
73.02914	62.3
79.05492	9.2
81.03404	8.3
81.07069	16.2
83.05000	14.5
83.08604	6.0
84.08127	3.0
85.02905	79.3
85.06538	8.1
85.97151	2.5
86.09745	4.3
87.04492	6.5
91.05460	16.7
93.07040	19.9
95.04968	14.5
95.08596	21.5
97.02892	20.6
97.06528	9.8
99.04431	5.1
103.03958	6.3
103.05453	5.1
105.03406	4.0
105.07035	33.7
107.04969	5.4
107.08585	28.3
109.02885	7.2
109.06508	13.5
109.10133	19.9
111.04417	9.5
111.08125	6.4
113.05981	2.8
115.03939	13.5
117.07053	8.0
119.08582	59.2
119.09430	3.0
120.08099	9.6
120.08910	4.3
121.06503	8.1
121.10139	40.0
122.06020	2.7
123.08066	6.1
123.11717	8.1
125.06030	6.2
127.03899	6.6
129.05482	11.5
129.07063	5.7
131.04871	5.8
131.08537	16.2
133.04982	9.5
133.06493	6.8
133.10127	57.9
135.08063	7.4
135.11732	10.9
136.07611	4.7
137.05978	9.0
137.09647	7.7
139.07594	4.0
142.07722	3.4
143.07076	7.5
143.08566	10.1
145.04909	4.7
145.10114	34.5
147.04425	4.5
147.06528	20.5
147.07988	5.3
147.11693	37.1
149.09642	10.6
149.13234	7.3
151.07541	5.6
153.05537	3.5
155.08582	4.9
156.09242	3.2
157.10143	10.8
158.10841	3.9
159.08092	3.4
159.11699	19.7
161.08127	7.1
161.09633	10.2
161.13290	6.9
163.03915	3.3
163.07507	4.1
163.11159	5.6
164.86211	2.6
165.12755	8.2
167.07060	5.0
169.08705	5.7
169.10103	6.0
171.11697	9.8
172.12459	4.0
173.08055	3.2
173.09595	6.1
173.13254	44.3
175.11340	6.1
175.14825	100.0
175.65555	2.8
176.15143	3.6
177.09015	3.7
177.16429	6.9
183.11703	5.3
185.08081	4.5
185.13246	18.0
187.09708	3.7
187.11201	9.0
187.14825	35.5
189.16414	10.4
191.14278	7.4
193.15872	29.0
196.12468	2.6
197.08075	3.8
199.14752	17.4
203.10701	4.0
205.15871	6.3
209.11671	5.6
211.14795	7.2
213.12738	3.1
215.14330	4.0
217.15765	14.4
224.13313	2.8
225.16422	5.3
227.12595	3.0
229.15915	7.8
235.16867	5.7
241.15938	9.1
243.17450	3.5
247.16933	3.6
253.15834	10.9
259.16986	7.4
271.16949	36.5
277.18140	6.5
289.17975	57.1
307.19009	92.0
325.20105	24.3
350.86462	2.9
523.17700	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.01868	3.6
55.05518	5.0
62.71617	2.0
65.03960	3.1
65.11073	1.9
66.08965	1.8
67.05511	6.3
69.03429	4.1
69.07076	6.7
70.61623	5.9
71.04998	2.9
73.02917	2.9
79.05490	17.7
81.07059	19.0
83.04996	2.5
83.08652	3.1
85.02917	8.8
85.06515	2.3
86.09724	4.0
90.30222	2.2
91.05476	13.1
93.07060	20.5
95.04975	4.1
95.08610	29.1
95.09161	2.9
97.02901	4.4
99.08076	4.8
99.62296	1.9
101.78400	2.1
103.05471	2.4
105.07030	67.6
105.26705	2.0
107.08595	35.8
108.08901	2.3
109.10155	4.9
113.09634	4.5
117.06978	4.1
119.08585	66.6
119.90882	1.9
120.08111	3.1
120.08932	2.2
121.10162	7.9
123.08073	2.8
123.11705	7.0
124.90705	2.1
127.03958	3.4
131.08559	3.7
133.04999	2.3
133.10126	77.2
135.08058	2.6
135.11696	41.2
136.07587	4.8
137.05977	6.8
137.09666	5.9
145.04938	3.1
145.10150	5.0
147.11697	7.3
149.13245	2.4
157.58992	2.1
161.13248	2.2
163.03934	2.9
163.06113	2.6
163.07555	2.5
168.33502	2.3
173.13181	2.6
175.14821	100.0
187.14851	2.5
193.15898	13.1
268.03934	2.2
273.32339	2.0
308.78555	2.0
315.88611	2.3
468.32159	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.05500	5.0
57.03427	2.5
57.07071	2.7
62.62298	2.5
67.05500	6.0
69.01810	16.7
69.03413	2.8
69.07056	10.3
70.06589	5.4
71.04979	2.9
73.02921	6.0
79.05501	12.8
81.07051	16.1
84.08105	2.7
85.02909	7.9
86.09705	12.1
91.05477	15.5
93.07042	20.6
95.08596	23.0
97.02892	5.1
99.08098	7.1
105.07035	57.9
107.08603	32.7
109.02824	3.2
109.06557	4.0
109.10145	5.8
114.74496	2.6
117.07043	4.9
119.08575	71.3
120.08080	6.2
121.10134	10.7
123.04433	3.2
123.11700	4.6
127.03919	4.8
131.08624	2.9
133.04977	5.8
133.10139	71.0
135.04378	3.1
135.11688	47.2
137.05983	15.3
137.09630	7.1
145.04977	3.9
147.11737	6.2
149.13252	3.9
151.03862	2.6
153.01842	4.0
161.05972	4.1
166.43668	2.5
173.05975	2.8
175.14821	100.0
193.15892	13.3
195.87700	2.7
201.12361	3.2
259.07965	4.0
275.12521	6.0
287.05505	46.5
288.05823	78.3
288.09009	3.9
289.05756	7.4
437.17667	4.2
479.18646	18.3
522.09369	3.3
522.18805	5.7
523.17456	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27267	11.2
67.05505	15.9
69.11496	68.6
69.11922	39.0
79.05459	10.2
81.03458	12.4
81.07056	36.8
82.64332	10.9
83.08633	11.6
85.02917	13.6
91.05480	15.5
93.07044	39.3
95.04945	14.6
95.08598	63.0
96.08926	20.2
97.02911	12.2
105.07023	36.1
107.08578	27.7
109.06517	11.7
109.10178	22.9
109.77257	10.0
119.08589	34.1
120.08891	15.7
121.10200	15.4
123.11678	10.0
127.03848	10.5
127.11204	11.5
131.08566	20.2
133.10135	25.5
135.11707	28.8
143.08623	11.3
145.10143	38.9
146.84244	11.3
149.05052	10.8
187.14856	17.6
203.14198	12.7
203.17984	20.1
221.19073	14.1
229.58670	10.8
263.27979	12.9
285.58807	11.8
348.55008	10.6
371.91733	13.5
456.31973	100.0
486.32974	45.7
523.28796	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	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.5
56.05017	1.0
57.07061	0.9
58.06579	1.3
60.08163	15.5
67.05476	1.8
69.07066	2.7
69.10384	1.5
69.10802	2.3
71.05003	0.4
71.07378	7.6
79.05460	0.7
81.07059	2.5
83.08595	1.9
85.98228	0.4
86.09706	48.8
87.10004	0.5
90.93098	0.4
93.07031	1.6
94.33217	0.4
95.08602	2.8
95.94247	0.4
97.06497	0.5
98.22652	0.9
98.98463	4.0
104.10745	97.8
105.07005	1.0
105.11082	1.1
107.08583	1.3
109.10141	1.5
111.11698	0.5
119.08593	1.6
121.10112	2.1
123.11718	0.5
125.00005	27.4
125.62777	0.4
129.90181	0.4
133.10129	1.2
135.11717	1.3
145.10126	0.5
147.11653	1.1
149.13371	0.8
159.11758	0.6
161.09724	0.4
161.13316	0.7
163.01596	1.0
175.14874	0.5
184.07344	100.0
185.07791	1.4
187.14896	0.5
189.16475	1.1
205.16008	0.6
211.14984	0.4
258.11212	1.3
277.21774	0.5
339.29068	1.0
421.30539	0.7
427.32767	0.6
469.33710	0.7
504.34491	9.2
522.36438	26.9
523.19708	0.6
523.30548	1.1
523.36670	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00571	0.1
50.43044	0.2
55.05507	0.5
55.73804	0.2
56.05032	0.6
57.03417	0.2
58.06627	0.5
59.07402	0.2
60.08165	6.4
62.31409	0.2
63.07951	0.2
67.05490	0.4
69.07060	0.7
69.20058	1.2
71.07376	3.3
79.05493	0.3
81.07059	0.9
83.08622	0.3
86.09705	30.5
87.10038	0.4
91.05490	0.2
93.07053	0.6
95.05003	0.3
95.08606	1.3
98.98457	4.0
104.10747	2.9
105.07022	0.7
107.08594	1.0
109.10155	0.9
119.08574	0.7
121.06472	0.2
121.10118	1.1
122.10471	0.2
123.11707	0.6
125.00002	22.1
126.00358	0.2
133.10133	0.7
135.11699	0.6
137.13263	0.2
143.01064	0.2
145.10124	0.3
147.11644	0.5
149.13248	0.3
159.11705	0.2
161.13258	0.2
173.13315	0.3
177.16444	0.2
184.07339	100.0
185.07709	1.3
185.13126	0.2
189.16354	0.5
258.10959	0.3
315.68515	0.2
339.29041	0.2
354.04468	0.2
398.31845	0.2
409.31189	0.2
427.32104	0.3
449.83429	0.2
478.14456	0.2
504.34488	0.9
522.35809	1.5
523.29541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72686	14.8
55.05510	26.4
64.38445	12.2
67.05492	33.3
69.07064	53.4
79.05511	24.7
81.07055	71.7
83.08610	17.0
84.23344	11.5
85.06554	14.9
93.07040	52.2
95.08606	91.6
97.06508	16.9
97.10175	13.6
98.45932	15.3
99.04443	17.2
105.07034	35.9
107.08597	76.3
109.10157	58.7
111.11677	19.4
119.08605	61.8
121.10126	77.0
123.11719	49.3
123.22377	14.9
131.08583	15.4
133.10115	64.3
135.11685	38.2
137.13234	27.3
145.10167	23.4
147.11678	36.2
149.13223	18.3
151.11263	13.4
151.14850	15.0
159.11665	35.3
161.13275	15.0
171.11534	14.9
173.13275	19.8
175.14793	26.2
178.29863	13.1
185.13306	19.4
187.14954	11.2
191.17966	24.1
201.16399	36.5
203.17961	27.2
215.17943	19.3
217.19557	40.2
219.17375	16.2
221.24495	12.8
233.19016	47.4
245.15395	16.0
262.80414	11.8
397.31122	86.9
409.30392	17.7
415.32001	49.2
427.31641	25.6
446.27295	14.1
522.32874	26.5
523.32849	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05509	0.5
57.03433	0.6
63.02357	0.4
67.05494	0.7
68.02649	0.4
69.03419	1.3
71.04990	0.6
71.31325	0.8
79.05502	0.9
81.03410	1.2
81.07072	0.7
82.06595	0.4
83.04964	1.4
85.02908	2.4
86.09696	0.7
89.03922	4.9
91.05473	0.7
92.07816	0.4
93.07067	0.8
95.04963	0.8
95.08607	0.7
97.02908	1.2
98.03689	0.7
100.93883	0.4
103.05463	1.4
105.07043	1.3
107.04990	1.9
107.08589	0.4
109.02882	1.6
111.04427	1.8
113.06001	1.5
117.03394	7.8
119.08598	0.7
120.08112	0.7
121.06506	0.4
126.03066	0.4
127.03928	1.4
131.04930	1.3
133.10086	0.6
135.04416	13.5
135.08038	0.6
136.04816	0.6
136.07620	0.4
137.02469	0.5
137.05980	3.4
139.03923	1.4
141.05455	7.5
145.02856	10.1
147.04381	0.5
151.03937	0.5
151.07553	0.9
154.02605	1.7
161.05948	0.7
163.03912	100.0
163.07465	2.2
164.04250	2.8
166.08685	0.5
167.07063	0.7
169.04982	8.7
170.05650	0.5
175.14853	0.5
177.09183	0.9
181.04968	0.5
191.07077	0.5
207.10135	0.4
209.04454	0.9
239.03456	1.0
243.06660	0.5
285.12021	0.6
287.10312	1.8
299.05472	1.0
329.11252	1.2
331.08087	9.0
332.08490	0.6
343.13126	0.8
423.10168	0.4
505.13712	0.6
523.18420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2332
Annotation	Benzoylgomisin H
Peak:m/z	Relative Intensity
50.01583	1.2
53.03948	10.6
53.65408	0.8
69.12825	5.9
77.03951	2.4
95.04983	10.2
98.22631	2.1
101.23106	0.9
105.03394	100.0
105.04540	4.0
106.03728	2.7
185.98218	0.9
188.09738	0.9
243.06419	1.3
248.08435	0.9
279.13998	1.4
282.08817	1.2
291.09918	1.1
292.11163	0.9
295.13306	1.3
307.13095	1.0
309.14566	1.1
311.12772	1.1
313.10617	1.8
317.10327	2.1
318.11121	1.3
323.12720	2.6
325.96307	1.0
327.12164	1.2
331.11752	1.1
332.12555	2.1
337.14328	3.0
338.15060	2.1
339.12341	1.2
339.16074	1.3
341.17429	1.1
345.13211	1.1
355.15500	2.2
359.14627	1.4
369.16925	3.7
370.17709	5.8
401.19641	6.3
444.84335	1.1
449.15695	1.2
473.19504	3.0
474.20157	2.5
505.22092	16.4
523.30115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.4
68.37240	0.9
69.07059	1.1
69.13930	6.5
81.07051	3.2
91.05487	2.6
93.07046	1.8
95.08621	4.5
105.03368	2.0
105.07040	1.9
107.08587	4.0
109.10184	2.8
119.08565	3.3
121.10134	2.8
123.08078	1.0
123.11713	2.6
127.60218	0.9
131.08580	1.3
133.10127	2.3
135.11722	1.2
145.10222	1.4
147.11658	1.4
149.05994	1.8
159.11772	1.5
169.10072	0.9
189.16290	1.2
193.04889	1.0
295.25711	0.8
358.94562	0.9
450.26608	1.1
463.28543	2.0
488.30811	1.2
523.28931	100.0
524.29291	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	523.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22950	2.2
53.03946	5.4
55.01877	9.1
55.03405	1.9
55.05516	27.5
57.03437	5.7
57.07092	11.9
61.02926	3.8
65.03964	3.2
67.05508	44.5
68.99805	5.5
69.03429	38.8
69.03771	3.6
69.07069	46.4
71.04987	4.3
71.08625	2.7
73.02922	3.3
79.05499	25.5
81.03422	18.5
81.07060	100.0
83.04984	8.2
83.08623	20.6
85.02911	28.4
85.06528	16.9
87.00829	15.7
91.05478	20.4
93.07045	40.6
95.04985	13.0
95.08613	99.9
97.02889	19.5
97.06548	3.1
97.10167	12.0
97.16054	2.3
99.04476	6.9
99.08087	5.4
103.03987	4.0
105.01876	7.8
105.07030	28.3
107.04956	2.9
107.08603	42.3
109.02883	8.3
109.06532	12.7
109.07201	2.5
109.10155	66.6
111.04446	9.9
111.08077	19.1
111.11723	9.8
115.03957	10.8
117.07001	7.0
119.08578	27.0
121.06529	5.9
121.10156	30.8
123.04445	8.2
123.08079	8.3
123.11704	37.1
125.09631	8.0
125.13256	3.3
127.03928	9.0
128.06250	2.8
129.01845	3.0
129.05507	3.0
129.07063	4.1
131.08565	11.9
133.10143	19.1
135.08069	8.2
135.11693	24.8
137.05971	3.5
137.09621	9.2
137.13240	23.8
139.07523	5.3
143.08592	4.3
145.10135	12.4
147.08051	7.0
147.11713	13.4
149.09656	7.2
149.13258	21.7
151.07625	2.7
151.14839	6.8
153.09145	6.5
155.08614	3.7
157.10229	4.6
159.02925	8.4
159.08081	3.0
159.11725	10.0
161.09621	6.3
161.13290	12.4
163.07616	3.4
163.11180	4.9
163.14838	16.5
165.09134	7.7
165.12721	3.6
167.10704	3.0
171.11748	5.6
173.09573	3.3
173.13260	7.3
175.14838	6.6
177.09189	4.4
177.12787	3.5
177.16452	12.8
179.06931	2.1
179.10826	2.7
187.14865	5.0
189.16388	5.6
191.10718	5.6
191.17960	7.1
201.03954	5.3
201.16405	5.2
203.18057	3.4
205.12334	3.4
205.19577	4.4
207.10100	3.8
217.15941	3.1
217.19597	4.1
231.05023	5.2
236.21655	2.2
239.17772	3.3
273.25876	3.6
285.25830	3.6
291.18936	2.4
291.26895	3.3
299.27048	2.3
303.26797	7.6
305.28531	3.2
313.12869	3.4
315.26944	3.0
317.28299	3.5
329.28790	2.7
333.28220	2.9
347.29742	4.1
353.02896	2.6
359.29630	3.6
365.28537	3.7
383.29449	12.0
401.30511	21.9
402.31268	2.7
419.31372	9.0
420.24838	2.4
433.05429	2.4
479.22556	7.6
487.30527	12.2
493.30716	2.4
505.31696	10.6
523.21320	17.7
523.28833	10.1
523.32684	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	523.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01880	9.4
55.05513	27.8
57.03432	8.6
57.07080	10.3
59.09477	1.5
61.02911	5.7
65.03941	3.1
67.05508	42.3
68.99783	7.4
69.03074	3.0
69.03431	35.2
69.07069	43.2
71.01352	1.4
71.04974	3.7
71.08652	2.2
71.30913	1.8
73.02928	2.5
76.70103	1.8
79.05488	29.4
81.03411	21.7
81.07057	100.0
82.07388	2.2
83.04986	6.9
83.08624	20.2
85.02909	30.7
85.06544	15.0
87.00831	14.4
91.05486	18.5
93.07047	41.0
95.04969	12.8
95.08610	97.7
97.02884	17.6
97.06539	9.3
97.10175	9.0
99.04451	7.3
99.08105	4.5
100.11235	1.6
103.03944	3.0
105.01885	4.6
105.07027	34.6
107.04961	5.1
107.08596	40.1
109.02885	8.3
109.06527	13.1
109.10156	62.9
111.04440	8.3
111.08092	24.7
111.11720	8.8
112.07598	1.6
115.03944	9.5
117.01749	2.4
117.07009	7.4
119.08575	27.2
120.08907	2.8
121.06526	7.8
121.10138	31.1
123.04459	6.3
123.08056	7.3
123.11709	33.5
125.06019	3.6
125.09622	9.8
125.13271	3.0
127.03912	15.3
128.06187	1.7
129.01808	3.7
129.05511	2.3
129.07040	4.4
131.08585	11.6
133.06497	2.7
133.10143	18.7
135.08070	8.3
135.11700	24.5
135.45958	2.0
137.05978	10.2
137.09653	10.2
137.13246	20.8
139.07547	3.5
141.07089	1.9
143.08574	9.5
144.44714	1.8
145.10109	12.4
147.08047	4.7
147.11700	16.0
149.09613	7.8
149.13254	26.6
150.13586	2.2
151.07571	3.0
151.14822	3.4
153.09105	5.4
153.12634	2.2
155.08554	3.3
157.10147	6.1
159.02895	7.2
159.11714	7.7
161.06129	1.8
161.09631	5.7
161.13228	9.4
163.11182	4.8
163.14816	9.5
164.78293	1.7
165.09125	8.6
165.12770	4.3
167.08519	2.6
167.10716	1.7
169.10162	2.9
171.11702	5.7
173.09618	3.5
173.13240	8.3
175.11111	3.5
175.14853	4.8
177.09164	4.5
177.12790	3.6
177.16409	9.9
179.10712	3.7
179.14278	2.0
183.11687	2.4
185.13263	2.6
187.11169	4.1
187.14793	4.1
189.03960	3.1
189.12790	2.7
189.16405	6.5
191.10620	5.4
191.14392	2.2
191.18027	4.1
195.10123	3.3
195.11708	11.6
197.13319	2.6
201.04028	4.3
201.12791	1.8
201.16321	1.9
203.14366	3.0
203.17950	5.0
205.12250	1.7
205.19580	2.9
207.10080	3.2
209.11710	3.2
213.16414	3.2
217.15784	2.2
217.19424	2.3
229.19492	2.2
231.04955	3.0
240.20267	2.4
242.05544	2.4
257.04474	9.0
257.15381	2.1
273.25797	2.5
275.16235	2.2
285.25629	2.1
289.05252	1.8
291.26740	3.3
295.11578	2.0
303.26727	5.4
305.28452	2.4
313.12830	3.0
315.26840	2.3
333.27875	2.9
341.28125	2.0
345.24176	2.4
347.29727	2.8
359.29303	2.1
365.28525	4.6
377.30869	2.9
383.29504	8.1
401.30457	11.9
419.31595	7.4
437.21426	2.8
479.22641	17.4
487.30707	7.8
505.18912	4.1
505.31430	6.5
523.12067	9.4
523.20752	34.9
523.28894	23.7
523.40759	3.3
524.12469	3.3
524.20776	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	523.3758
Annotation	ubiquinone 25
Peak:m/z	Relative Intensity
50.98765	0.3
52.07198	0.4
54.48075	0.4
55.05518	0.4
55.27018	0.3
67.05510	3.7
67.32153	0.4
69.07081	0.8
70.25844	1.1
70.26263	0.6
74.11795	0.4
79.05537	0.6
81.07053	2.3
83.08640	0.6
84.89138	0.4
85.83343	0.4
91.05503	0.7
93.07045	1.8
95.08639	1.5
107.08621	1.2
109.10156	2.5
119.08599	1.0
121.10162	0.9
123.11736	0.6
133.10191	0.6
135.11702	0.6
145.10144	0.4
173.11882	0.8
229.14323	2.3
335.26010	1.6
346.32031	0.4
463.35736	6.6
464.35950	0.8
489.36026	1.1
523.37866	100.0
524.38184	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	523.3763
Annotation	ubiquinone 25
Peak:m/z	Relative Intensity
69.07075	4.0
71.32922	4.6
76.04488	4.1
77.04803	3.6
79.05563	3.7
81.07066	4.5
99.74203	3.8
100.09462	3.8
102.35973	3.5
105.07055	4.4
162.91270	3.8
335.90027	4.5
505.29468	7.7
505.36459	100.0
506.36691	10.3
523.37585	82.6
523.60132	4.3
524.37982	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	524.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18806	0.2
55.01878	0.3
55.05506	0.6
60.04517	0.2
65.03926	0.2
65.23792	0.2
66.04705	0.3
67.05499	0.5
67.78757	0.2
68.99796	0.3
69.03442	0.4
69.07078	0.3
70.03535	0.2
70.03851	0.5
78.67571	0.2
79.05508	0.4
81.03426	0.4
81.07067	0.9
83.08620	0.3
84.08136	0.2
85.02903	0.8
85.06542	0.6
87.00831	0.3
88.59356	0.2
91.05489	1.0
93.07040	0.7
94.04185	2.3
95.04996	0.3
95.08619	0.9
97.02898	0.5
100.11261	0.5
105.01841	0.2
105.07021	0.4
107.04910	0.3
107.08604	0.5
109.02879	0.3
109.06511	0.2
109.10134	0.3
119.08603	0.7
121.10121	0.4
122.03658	5.5
127.03946	0.5
127.96562	0.2
133.10106	0.3
137.05980	100.0
138.06328	2.6
147.11702	0.3
157.10017	0.2
159.02919	0.2
161.05984	0.5
179.07027	1.2
195.11665	0.6
210.14931	0.5
240.09003	0.2
245.08336	0.3
259.20566	0.3
263.09143	0.2
268.43335	0.3
272.71011	0.2
277.17767	0.5
289.05194	0.3
290.09445	0.2
305.02692	0.3
385.11255	0.7
396.92239	0.2
416.62976	0.2
439.22885	0.6
480.22900	0.5
481.24127	1.3
524.21606	2.2
524.29071	1.0
524.39185	0.3
525.23041	4.6
525.30408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
66.35574	0.9
69.03448	2.4
69.16322	1.0
71.63538	1.0
79.05505	1.9
81.07074	1.0
82.48584	1.0
85.02920	5.2
85.09491	1.0
86.62774	0.8
91.05478	5.4
92.33755	0.8
94.04181	2.0
95.04972	1.3
97.02887	1.4
98.22570	2.4
103.05476	4.9
105.07047	3.5
105.20660	0.9
109.06558	1.3
115.05447	1.0
117.07040	1.8
119.04932	4.9
121.06548	1.6
122.03621	5.0
127.03930	1.2
130.07825	1.2
131.04929	7.2
133.06519	2.6
137.05981	100.0
138.06354	2.7
145.06482	5.1
147.04413	18.8
149.05997	3.5
161.05974	19.8
161.07193	1.5
162.06796	0.9
163.07603	5.2
173.05988	7.9
175.07521	1.1
179.07007	2.0
185.06006	1.8
191.07027	2.0
191.08580	2.6
193.08609	1.4
202.07791	0.9
203.08679	1.7
219.06212	1.4
219.07983	5.8
231.08081	2.6
237.09068	2.0
247.07585	2.6
248.08340	1.6
249.09236	1.1
251.10698	4.0
265.08578	3.4
277.08722	3.8
279.10181	3.1
297.11240	19.2
309.11319	4.5
315.12280	4.2
327.12234	4.6
348.70413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
54.56308	1.5
55.01884	1.4
56.77999	1.4
57.03432	1.9
59.05048	1.2
61.20307	1.3
64.60162	1.3
65.03928	1.5
67.05516	4.0
67.52635	1.2
69.03423	5.9
70.06590	4.1
71.04986	2.3
72.08158	2.2
73.02938	2.4
79.05502	3.2
81.03420	4.4
81.07056	4.4
83.04935	1.7
84.08198	1.4
85.02902	12.7
86.09702	3.6
89.03927	1.8
91.05478	11.0
93.07049	3.7
94.04205	1.6
95.04956	2.8
97.02899	4.8
98.23495	2.3
103.05479	4.2
105.07034	6.8
107.05001	2.6
107.08577	2.0
109.02886	2.6
109.06523	3.7
109.10213	1.3
115.05498	2.9
117.03423	1.8
117.07049	1.7
119.04957	6.0
119.08560	2.3
120.08113	2.0
121.02881	5.4
121.06492	1.7
121.10116	2.0
122.03657	4.8
122.07076	1.4
122.71351	1.5
123.04427	2.9
123.08080	11.1
127.03902	4.0
129.07039	1.4
131.04921	10.5
133.06497	2.5
133.10139	1.7
135.04488	3.0
137.05984	100.0
138.05412	1.7
138.06351	2.8
139.07634	1.6
145.02899	2.4
145.05037	2.4
145.06503	6.9
145.10135	3.0
147.04413	36.3
147.08028	1.5
149.06021	3.2
151.03871	1.6
151.07590	1.4
157.06470	2.0
159.11662	1.5
160.18828	1.3
161.05975	24.2
162.06631	1.8
163.03920	19.9
163.07588	6.4
164.04245	9.0
166.08710	1.7
173.06001	12.6
185.06039	3.1
187.11183	1.6
191.07072	1.5
191.08582	7.7
191.10481	1.6
203.08539	3.9
205.12112	1.6
213.12244	3.0
219.08060	8.8
220.08775	2.2
221.09552	1.6
231.08142	5.7
233.11754	1.5
234.13614	1.2
236.08348	1.7
237.09106	5.9
241.14426	2.2
247.07613	4.1
247.54041	1.2
249.09131	2.0
251.10672	10.9
265.08624	5.0
277.08658	6.8
279.10165	6.0
291.10141	1.9
292.38995	1.4
297.11234	44.6
298.11578	3.2
309.11285	9.2
327.12231	2.2
332.08493	1.4
445.99319	1.6
525.16412	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
53.55882	2.3
55.01865	11.3
55.05503	8.3
56.05031	2.5
57.03445	4.2
59.05003	2.7
63.53136	2.1
67.05507	20.3
69.03425	7.3
69.07072	26.1
69.21387	4.9
69.21801	12.3
70.06593	3.2
71.01342	2.8
71.04992	9.2
72.08140	3.2
75.04528	2.9
79.05497	20.2
81.07065	39.9
83.01360	3.2
83.04971	9.4
83.08628	2.3
84.08115	2.8
85.02907	8.4
85.06544	8.9
86.06061	2.6
87.00838	2.7
87.04474	3.4
91.05483	20.2
93.07044	44.1
94.06566	6.7
95.01346	2.4
95.04973	100.0
95.08624	13.8
96.05298	2.3
97.06504	10.9
98.09689	2.4
99.04462	7.8
101.02393	4.7
101.06028	4.5
103.05453	2.3
105.07030	47.3
107.04926	7.6
107.08601	23.8
109.06505	16.7
109.10161	4.0
111.00793	10.2
111.11703	4.0
112.11246	2.9
113.02394	2.6
113.06005	3.5
115.03915	3.9
117.07056	4.8
119.04931	2.3
119.08574	21.4
120.08913	2.3
121.06487	12.4
121.10146	36.7
122.06038	31.4
123.08067	5.4
123.11710	2.9
125.02324	4.1
125.06005	14.1
127.03938	2.9
127.07523	6.2
129.01817	8.1
129.06972	2.9
130.07787	3.0
131.08583	17.4
133.04997	4.5
133.06477	5.7
133.10123	7.7
135.04414	3.2
135.08009	3.1
135.11705	19.6
136.07565	3.8
136.12001	2.6
137.05989	11.2
138.06351	2.3
139.07530	4.8
139.10201	2.5
139.11174	10.4
143.03413	5.7
143.07060	8.2
143.08536	5.5
145.04948	4.2
145.10124	50.4
146.10413	3.1
147.11719	4.8
149.05974	3.2
149.09607	6.8
151.07539	18.3
155.07043	15.4
157.01329	2.8
159.08008	3.0
159.11710	18.6
161.09602	4.7
161.13226	3.7
163.11186	35.2
164.11594	2.6
165.09167	5.2
169.08665	2.4
169.10123	5.1
171.02910	19.0
173.09595	19.1
181.12215	16.6
185.04478	7.3
187.11180	24.4
189.03995	7.2
191.10666	38.5
199.13290	5.1
203.05515	3.2
203.18002	3.2
205.12233	21.7
209.11728	28.8
215.10677	20.7
227.12762	5.5
231.05017	24.6
233.11705	30.4
245.06581	5.0
251.12762	35.2
259.04398	3.1
269.13831	29.7
287.14926	3.8
313.08899	2.5
344.82346	2.6
351.14355	2.5
369.15317	14.6
383.17105	3.3
397.15179	4.8
415.00754	2.7
421.14801	7.8
439.15967	38.8
440.16562	3.3
457.17084	35.3
458.17474	3.6
471.18564	4.9
524.29034	4.8
524.40546	8.6
525.23743	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	524.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05037	1.9
57.03424	0.3
57.07081	2.9
58.06302	0.4
58.06572	1.7
59.07385	0.3
60.08167	17.9
65.03951	0.3
67.05502	0.8
69.07047	0.6
70.06575	0.2
71.07380	7.0
71.08645	1.5
79.05473	0.3
81.07059	1.5
83.08633	0.5
85.10188	0.9
86.09709	50.1
87.10043	0.8
93.07065	0.4
95.08609	1.4
97.10197	0.4
98.98470	4.2
104.10748	100.0
105.07059	0.3
105.11091	1.2
107.08620	0.6
109.10165	0.8
119.08582	0.7
120.42048	0.2
121.10106	0.5
123.11726	0.6
125.00010	29.9
133.10066	0.3
135.11732	0.3
143.01083	0.3
145.10187	0.3
147.11674	0.3
159.11714	0.3
163.01596	0.9
184.07350	97.2
185.07710	1.5
189.16373	0.2
191.18013	0.5
245.40651	0.2
258.11069	1.0
304.50644	0.2
341.30527	1.4
421.30936	0.2
447.28857	0.6
465.29803	0.4
506.36075	8.5
507.36713	0.5
524.37207	24.3
525.31439	1.6
525.37506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	18.3
57.03436	5.5
67.05506	100.0
69.07082	11.2
69.83815	6.6
70.64664	5.3
79.05494	16.1
81.07057	28.6
83.08632	6.6
87.04472	7.7
91.05499	7.7
93.07050	22.5
95.08617	23.8
98.39333	6.4
105.07022	7.8
107.08592	15.2
109.10147	60.6
119.08578	13.5
121.10168	8.4
173.11745	21.7
205.10219	6.7
229.14377	53.8
304.45337	6.7
335.25787	59.7
489.35596	25.8
524.37585	6.8
552.57715	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	525.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47835	0.5
56.96561	4.7
69.39588	0.6
70.22791	1.4
70.23177	1.2
84.96037	3.9
97.96789	0.7
98.97579	40.4
99.97939	0.6
110.97566	13.3
112.99110	2.1
116.68188	0.6
116.98630	9.3
124.99097	1.5
126.97047	0.7
128.98599	9.0
131.00163	0.8
134.99619	1.8
140.98592	2.3
143.00159	5.9
144.98071	1.6
146.99623	3.1
152.98689	1.1
154.44905	0.6
155.00148	1.8
158.99664	9.7
161.01247	3.4
170.99666	8.7
173.01208	1.2
177.00685	5.0
182.99634	1.6
189.00720	3.9
194.99657	5.9
201.00673	13.1
213.00792	2.8
219.01765	81.9
220.02066	1.1
237.02814	76.9
238.03273	1.7
242.03352	1.0
255.01617	0.7
255.03847	4.0
261.02795	34.3
262.03281	0.7
279.03876	100.0
280.04166	2.9
285.06915	0.6
297.05084	1.0
302.05365	1.9
303.07535	2.5
321.04913	84.8
322.05176	2.3
345.08661	0.8
381.06958	5.4
399.08200	4.1
422.19858	0.6
447.11780	11.7
465.12778	21.2
466.13165	0.9
525.15430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2102
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
51.82744	1.8
52.06214	1.7
55.05490	1.7
56.96571	12.8
67.05503	4.5
69.96518	1.7
70.50060	3.8
71.04990	1.6
74.22171	1.7
79.05508	2.9
81.07055	3.7
83.27840	1.9
84.96049	4.3
85.02909	2.1
85.06548	2.5
91.05476	3.2
93.07067	2.2
95.08601	5.7
97.02916	2.3
98.97596	12.2
105.07041	5.6
107.08603	3.7
109.02901	2.3
109.10204	2.3
110.97604	2.7
116.98652	5.3
119.08572	3.5
121.10125	4.7
127.03951	2.1
127.56018	1.7
128.98587	3.0
133.10130	3.2
143.08577	2.4
145.10176	2.4
158.99666	7.9
161.09697	1.9
162.63649	1.8
173.01224	2.5
177.00737	6.5
195.11626	3.5
196.12079	4.1
198.70709	1.9
219.01802	4.1
225.11647	2.0
237.02878	3.7
249.11694	2.5
257.25629	2.1
267.12799	4.9
277.17789	3.0
279.12646	2.0
305.17316	2.8
421.18854	4.3
439.19742	21.6
457.21091	7.3
481.21872	19.9
499.21786	4.7
507.20126	5.1
525.21387	100.0
525.30145	12.4
526.21362	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	525.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	2.8
56.96564	11.5
60.01919	2.8
61.47964	2.7
67.05491	5.8
69.03419	6.7
69.07085	4.3
69.94466	3.2
70.48150	5.1
70.48497	5.6
81.07049	9.9
84.96057	5.0
85.02937	4.6
85.06580	3.0
93.07052	7.1
95.08606	10.7
96.08936	3.0
98.97587	29.8
105.07001	4.6
107.08582	6.7
112.99141	4.4
116.98643	16.4
120.08098	4.5
121.10169	5.9
127.03909	3.3
128.98598	3.4
131.00189	3.7
134.99738	3.6
137.05841	2.9
138.09189	5.2
147.11655	3.8
158.99692	10.1
165.79822	3.4
166.08685	14.6
167.04897	3.3
173.01268	5.9
177.00691	8.2
191.02234	5.3
195.11713	4.6
219.01782	7.4
237.02815	5.3
277.21594	3.1
277.68970	3.4
289.05334	5.6
303.01083	9.9
305.02557	9.2
421.18958	10.3
439.19363	14.8
463.20584	3.5
481.22723	15.6
507.19928	48.7
525.21545	100.0
525.30298	40.8
526.21729	6.4
526.30444	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	525.2105
Annotation	CHEBI:69823
Peak:m/z	Relative Intensity
55.05532	2.8
56.96564	11.5
60.01919	2.8
61.47964	2.7
67.05491	5.8
69.03419	6.7
69.07085	4.3
69.94466	3.2
70.48150	5.1
70.48497	5.6
81.07049	9.9
84.96057	5.0
85.02937	4.6
85.06580	3.0
93.07052	7.1
95.08606	10.7
96.08936	3.0
98.97587	29.8
105.07001	4.6
107.08582	6.7
112.99141	4.4
116.98643	16.4
120.08098	4.5
121.10169	5.9
127.03909	3.3
128.98598	3.4
131.00189	3.7
134.99738	3.6
137.05841	2.9
138.09189	5.2
147.11655	3.8
158.99692	10.1
165.79822	3.4
166.08685	14.6
167.04897	3.3
173.01268	5.9
177.00691	8.2
191.02234	5.3
195.11713	4.6
219.01782	7.4
237.02815	5.3
277.21594	3.1
277.68970	3.4
289.05334	5.6
303.01083	9.9
305.02557	9.2
421.18958	10.3
439.19363	14.8
463.20584	3.5
481.22723	15.6
507.19928	48.7
525.21545	100.0
525.30298	40.8
526.21729	6.4
526.30444	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	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
58.78153	0.3
69.03434	1.3
70.06625	0.8
70.07185	1.2
70.07548	0.7
71.04987	0.4
79.05511	0.5
81.07061	0.7
83.04961	0.4
85.02895	1.1
91.05471	0.6
93.07067	0.9
95.08607	0.7
95.30582	0.3
97.02919	0.5
100.11214	0.5
105.07052	1.4
107.08557	0.6
110.92490	0.3
119.08620	1.0
129.07056	0.4
131.08624	0.5
133.10152	0.5
135.11650	0.6
137.05966	1.9
145.10149	0.5
151.03925	0.4
154.12257	0.5
161.06042	0.6
169.04845	0.4
182.15439	0.4
188.03716	0.6
201.16354	0.7
203.05309	1.1
208.50374	0.3
219.13826	1.1
226.07703	0.4
227.05286	1.2
245.06357	5.7
259.16699	6.1
263.08081	0.5
271.04218	0.6
277.17725	4.8
289.05304	13.4
289.08524	0.7
290.05869	0.6
334.18268	0.3
421.21942	1.7
439.23093	5.5
445.22070	0.7
463.22766	2.2
481.24158	15.5
482.24414	1.3
489.20840	1.8
507.22043	2.8
525.23120	100.0
526.23419	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	525.231
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.75639	0.8
55.05489	0.9
56.96568	0.8
63.42193	0.8
65.41069	0.7
67.05507	1.2
69.07072	1.4
69.44723	4.4
79.05515	1.1
81.07069	2.9
91.05509	1.7
93.07059	2.7
94.11563	0.9
95.04964	1.4
95.08615	1.3
98.23234	1.4
98.97552	1.2
100.11279	1.0
105.07050	2.3
107.08615	1.4
110.09705	0.9
119.08674	1.4
121.10159	1.3
131.08604	1.4
137.05972	1.4
145.10115	1.2
166.08707	1.9
167.07037	1.1
182.15407	0.9
203.05276	1.3
214.42218	0.8
219.17189	0.8
243.04796	4.5
245.06322	6.8
259.16815	3.6
261.18222	5.4
271.04199	1.0
277.17725	7.9
287.03748	27.0
287.06824	1.5
289.05292	44.7
290.05783	1.6
421.22021	1.9
437.17960	1.4
439.23547	4.0
463.23215	6.4
481.24161	24.2
481.31064	1.5
482.24185	2.2
489.20895	5.6
507.22079	24.0
508.22757	1.7
525.23108	100.0
526.23419	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52090	0.8
55.05505	2.7
67.05502	3.6
69.03437	5.5
69.07063	2.3
69.23082	4.8
69.23496	2.2
71.04990	1.2
74.10556	1.0
79.05480	1.6
81.03414	4.7
81.07072	4.8
83.04982	1.7
85.02907	6.2
85.06552	9.2
87.00838	1.8
89.57726	0.8
91.05460	2.6
93.07052	3.4
95.08620	4.3
97.02889	2.8
99.04437	1.2
99.08101	11.3
105.07046	4.5
107.08592	3.5
109.02875	4.0
109.06525	2.4
109.10155	3.0
119.08602	4.5
121.10135	5.4
121.66315	0.9
123.08078	2.2
123.11659	1.7
125.09615	3.2
127.03902	5.3
128.78909	0.8
131.08546	1.4
133.10126	3.6
135.11664	1.2
137.09616	1.9
139.11214	1.2
145.05009	2.1
145.10107	2.1
147.11708	6.4
157.10144	1.9
159.02817	1.0
159.11679	3.0
161.13164	1.2
162.38504	0.9
165.12761	3.1
171.11606	1.3
173.13129	1.0
175.11203	0.9
179.14330	1.8
185.13254	1.9
199.14825	1.7
201.16335	2.2
203.05290	1.6
225.90086	0.8
237.15889	1.0
241.19609	1.9
243.04863	4.4
245.06230	4.5
259.16675	3.7
259.20602	17.5
261.18204	5.2
277.17767	14.2
277.20819	1.3
287.03732	24.6
289.05286	27.0
290.05460	1.2
345.24030	1.7
407.84680	0.9
421.21942	2.0
425.17825	1.8
439.22998	8.4
463.22861	1.1
481.24112	34.4
482.24503	2.5
507.22089	2.2
525.22894	100.0
525.30304	39.5
526.23627	7.8
526.30725	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	525.2307
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
50.43848	0.6
55.37076	0.5
59.14906	0.4
59.83707	0.4
70.51122	1.1
79.05468	0.5
84.01422	0.5
101.90466	0.5
105.07026	0.7
125.62361	0.5
137.47345	0.5
169.04745	1.3
203.05345	0.6
207.13397	0.5
245.06386	2.5
259.16711	3.4
271.04251	0.6
277.17731	6.4
287.03644	0.5
289.05344	3.4
305.17007	1.1
369.18762	0.9
409.18665	0.8
411.19968	1.6
421.22110	1.8
439.23035	7.9
463.22632	2.3
481.18271	0.7
481.24094	33.4
482.24509	2.6
507.22150	4.5
525.23083	100.0
526.23401	8.0
550.48950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2313
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
51.08728	0.5
54.25958	0.5
67.05528	0.6
69.03435	0.6
70.06602	1.3
71.31436	0.8
81.07068	1.2
85.02934	0.5
85.06574	0.5
86.09719	1.2
91.05475	0.8
93.07032	0.9
95.08571	0.8
105.07029	1.3
117.08860	0.5
119.08587	1.3
131.12035	0.5
137.06023	2.2
145.10098	0.6
147.04469	0.6
158.97943	0.5
159.11716	0.6
163.07533	0.8
165.09062	0.9
167.07036	1.0
169.10016	0.5
172.19397	0.6
193.08633	1.0
203.05336	0.8
245.06396	4.4
256.92612	0.6
259.16763	2.2
271.04465	0.6
277.17770	4.1
289.05295	11.3
335.54816	0.5
421.22028	1.4
439.23166	7.5
440.23648	0.8
446.07465	0.6
463.23108	1.7
481.24182	21.7
482.24820	1.3
507.22253	4.5
525.23132	100.0
526.23529	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	525.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78153	0.3
69.03434	1.3
70.06625	0.8
70.07185	1.2
70.07548	0.7
71.04987	0.4
79.05511	0.5
81.07061	0.7
83.04961	0.4
85.02895	1.1
91.05471	0.6
93.07067	0.9
95.08607	0.7
95.30582	0.3
97.02919	0.5
100.11214	0.5
105.07052	1.4
107.08557	0.6
110.92490	0.3
119.08620	1.0
129.07056	0.4
131.08624	0.5
133.10152	0.5
135.11650	0.6
137.05966	1.9
145.10149	0.5
151.03925	0.4
154.12257	0.5
161.06042	0.6
169.04845	0.4
182.15439	0.4
188.03716	0.6
201.16354	0.7
203.05309	1.1
208.50374	0.3
219.13826	1.1
226.07703	0.4
227.05286	1.2
245.06357	5.7
259.16699	6.1
263.08081	0.5
271.04218	0.6
277.17725	4.8
289.05304	13.4
289.08524	0.7
290.05869	0.6
334.18268	0.3
421.21942	1.7
439.23093	5.5
445.22070	0.7
463.22766	2.2
481.24158	15.5
482.24414	1.3
489.20840	1.8
507.22043	2.8
525.23120	100.0
526.23419	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	525.2333
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.89200	2.8
55.05498	3.4
60.09501	2.7
67.05499	3.1
69.03432	9.8
69.07060	3.2
69.16172	19.0
70.06593	10.0
77.38187	3.0
79.05503	5.6
81.03442	4.1
83.13385	2.6
85.02936	7.2
85.06567	3.0
86.09736	3.6
91.05483	8.7
93.07035	5.9
93.53371	2.2
94.04168	2.7
95.05016	3.5
97.02923	4.2
103.05479	10.2
105.07021	9.5
107.08630	3.6
113.54223	2.8
115.05462	2.5
121.06529	4.3
121.67239	2.4
122.03674	6.5
128.06198	2.8
129.06953	3.4
131.04935	8.2
133.06491	16.2
135.08046	7.2
137.05978	100.0
138.06308	3.4
151.07599	4.9
153.05457	5.0
157.06488	4.0
159.08118	3.5
161.06053	4.6
163.07561	22.7
167.07072	4.0
175.07568	6.8
199.31522	3.0
199.94513	3.6
201.12865	3.2
203.10692	3.6
203.80367	3.0
217.08611	3.4
219.10146	3.2
219.13785	3.6
245.06332	3.2
289.05276	10.3
295.13547	6.2
327.15863	9.4
353.01822	2.9
382.74734	3.3
481.20245	3.6
484.18427	3.1
491.63647	3.5
525.23535	56.0
526.22729	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	525.2463
Annotation	Saucerneol C
Peak:m/z	Relative Intensity
50.09437	1.9
54.84578	1.6
55.89090	2.1
56.96560	3.0
67.05495	1.8
70.19419	6.5
72.08167	2.5
81.07060	4.1
91.05435	2.0
93.07056	2.4
95.08602	4.0
97.06609	1.4
98.97581	4.6
99.04487	2.2
105.07070	4.8
107.08617	3.9
109.10169	4.5
112.99119	2.3
119.08579	4.5
120.08144	2.9
121.10156	5.6
123.08070	2.0
131.00183	3.7
133.10136	2.8
135.11604	2.6
147.11685	2.3
159.11678	2.2
169.10089	1.8
175.14876	1.8
209.12991	1.7
233.15283	2.4
240.88936	1.6
289.14691	3.0
293.05545	2.2
307.16083	2.1
332.57123	1.8
333.22318	1.7
350.64749	1.7
362.64359	2.1
456.88052	1.9
525.24530	100.0
525.31708	28.7
526.24829	8.0
526.32220	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	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05509	6.6
57.92436	1.3
61.02946	1.7
67.05508	6.6
69.03436	5.7
69.07085	3.9
69.12275	10.6
70.06593	1.5
71.04996	2.6
79.05498	10.2
81.03396	3.2
81.07069	10.4
83.04983	6.1
83.08638	4.3
84.85555	1.5
85.02920	5.0
85.06558	3.0
87.00875	1.8
91.05508	5.9
93.07047	16.5
95.04951	1.5
95.08605	10.2
97.02926	1.8
98.22625	3.0
99.04444	2.5
99.08041	1.4
99.23579	1.7
105.01918	1.8
105.07054	11.6
107.04980	2.7
107.08597	13.7
109.02908	2.5
109.06562	3.9
109.10161	11.9
111.08114	2.5
113.09665	4.7
119.08574	15.4
121.06532	4.2
121.10153	17.2
122.07308	1.9
123.08099	2.0
123.11758	4.7
125.09641	4.3
127.03963	4.1
131.08612	3.2
133.06454	1.6
133.10127	31.4
133.11049	2.6
135.08076	1.5
135.11707	4.8
137.09619	19.3
139.11197	3.5
145.10184	3.4
147.08099	2.6
147.11722	6.4
149.02368	12.7
149.09648	3.3
149.13293	3.9
151.03955	2.3
151.11224	4.8
154.00319	1.4
157.10196	2.8
159.11749	3.5
161.09660	4.4
161.13269	2.7
163.11217	1.6
165.12785	2.4
175.11217	2.5
175.14825	15.0
179.10834	1.4
185.13332	2.8
191.14372	2.4
201.16441	2.2
203.05293	1.8
203.14389	5.2
217.15912	2.8
221.15457	1.5
241.19534	3.4
259.20551	20.9
277.21613	52.8
278.21973	1.7
289.21722	2.3
331.09872	6.6
455.18719	3.1
481.23688	4.2
507.26471	1.8
525.26886	100.0
526.27094	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	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
53.85934	1.0
55.01875	5.3
55.05514	10.0
57.03407	4.9
57.07085	6.1
61.02898	3.4
65.03909	1.3
67.05508	19.4
68.99767	1.9
69.03433	36.8
69.07079	5.9
71.04966	3.3
71.09936	1.1
73.02883	4.6
79.05500	8.5
81.03423	22.5
81.06587	1.2
81.07055	17.6
81.24843	1.2
83.04948	4.9
83.08591	1.9
85.02909	28.2
85.06548	65.9
86.06857	1.7
87.00835	13.3
91.05488	10.2
93.07041	13.3
95.04935	4.4
95.08059	1.5
95.08608	23.4
97.02905	14.3
97.06506	2.0
99.04479	7.1
99.08098	73.3
105.01875	8.0
105.07031	24.4
107.08600	14.1
109.02890	19.5
109.06509	11.9
109.10169	11.0
111.08071	1.8
113.09602	3.2
117.01834	1.4
117.06980	3.5
119.08591	31.6
121.06496	2.2
121.10153	31.1
122.10421	1.9
123.08067	7.9
123.11716	7.9
125.05910	4.5
125.09643	19.9
127.03920	25.7
129.01813	2.9
129.06972	1.6
131.08609	5.2
133.06381	1.5
133.09241	1.1
133.10132	15.3
135.08005	3.1
135.11615	4.3
137.09621	6.4
137.13214	2.3
139.11179	6.8
142.07722	2.1
143.08594	5.2
145.04971	5.8
145.09183	1.0
145.10110	10.7
147.02861	2.6
147.07980	3.0
147.11691	32.1
149.09578	2.1
149.13208	1.6
151.11104	4.6
156.09308	1.9
157.10132	9.3
159.02913	8.6
159.11700	10.0
161.09560	3.5
161.13242	7.9
163.11147	1.9
165.09019	1.7
165.12761	22.2
168.82813	1.0
170.10820	3.9
171.11681	7.2
173.13269	6.3
175.11098	4.7
175.14757	5.3
177.12680	2.7
179.14305	14.9
183.11598	1.2
185.13272	12.0
187.14827	1.5
189.12590	3.1
190.13377	2.2
191.14273	1.5
199.14847	11.5
201.14757	1.2
201.16400	14.5
203.05190	1.7
203.14407	5.3
204.15051	1.1
217.15816	2.9
218.16576	1.2
221.15337	1.4
231.04906	3.8
241.19519	9.1
245.06209	3.6
259.20587	100.0
260.20752	5.0
261.21930	1.1
277.17575	6.7
277.21576	10.7
287.03506	1.3
289.05338	8.5
421.21671	1.9
439.22842	6.7
460.74063	1.2
463.22510	4.3
466.62973	1.2
481.24069	28.7
482.24136	2.9
495.21719	3.1
507.22049	11.8
525.22522	94.1
526.22705	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	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01867	4.0
55.05512	9.1
57.03435	3.5
57.07081	8.6
61.02918	2.1
61.04903	1.2
65.03957	2.1
67.05511	16.8
68.99788	3.5
69.03432	31.2
69.07072	7.0
71.04988	4.5
73.02922	3.5
79.05502	7.1
81.03415	20.4
81.07058	15.8
83.04988	5.2
83.08607	2.4
85.02909	27.8
85.06546	57.5
87.00845	13.6
91.05485	9.6
93.07058	11.4
94.93533	1.4
95.04963	4.1
95.08609	22.1
97.02912	10.9
98.22579	3.6
99.04462	5.3
99.08099	71.7
105.01870	8.9
105.07034	25.5
107.08583	13.6
109.02880	17.7
109.06529	11.0
109.10154	11.9
111.08094	3.2
111.68201	1.2
113.09642	2.0
115.20057	1.7
117.01896	2.1
117.07023	2.3
119.08581	23.2
121.06516	2.5
121.10146	31.5
123.08067	7.7
123.11700	7.0
125.06000	3.6
125.09637	14.9
127.03928	28.7
129.01817	3.2
129.07019	1.6
131.08563	3.5
133.10136	13.1
135.08072	1.7
135.11676	3.1
137.09636	5.7
137.13246	2.0
139.11198	5.5
143.08565	4.7
145.04970	8.0
145.10152	9.4
147.08028	2.2
147.11685	28.5
147.12752	2.4
149.09641	1.8
151.11192	4.6
156.09357	2.6
157.10130	9.5
159.02896	7.0
159.11699	7.1
161.09625	4.0
161.13300	8.0
163.11156	1.4
165.12740	19.3
170.10878	2.6
171.11684	8.7
173.13261	4.5
175.11201	5.6
175.14807	3.9
177.16348	1.8
179.14330	13.1
184.12550	1.7
185.13261	11.4
187.14769	1.6
189.12711	4.0
190.13579	1.8
196.08412	2.3
199.14810	12.0
201.16371	13.0
203.05249	1.7
203.14328	5.6
217.15897	3.5
218.16527	2.2
218.51970	1.4
231.05043	4.9
241.19518	8.0
245.06383	1.5
259.20587	100.0
260.20941	5.6
261.18375	1.5
261.22150	2.0
277.17859	5.2
277.21628	9.6
287.03827	6.7
289.05124	7.0
390.07941	1.4
439.22784	2.6
456.77042	1.3
481.24197	15.9
507.21967	4.2
525.23132	33.4
525.29810	44.8
526.23199	3.0
526.30835	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.01874	4.1
55.05508	10.8
57.03428	5.6
57.07070	8.2
57.19727	1.6
57.63619	1.4
61.02927	3.4
61.85116	1.5
62.94514	1.8
67.05515	17.6
68.99782	2.3
69.03436	37.2
69.07065	5.0
69.22810	4.6
69.23221	6.7
71.04992	3.9
73.02914	3.4
76.39613	1.8
79.05521	8.0
79.34912	1.5
81.03426	19.6
81.07062	21.1
83.04968	5.0
83.08614	2.6
85.02420	2.7
85.02908	30.6
85.06545	61.4
87.00833	11.5
87.04459	1.6
91.03967	2.4
91.05462	8.0
93.07041	14.3
95.04991	5.2
95.08054	1.9
95.08617	27.3
96.27682	1.7
97.02906	14.3
97.06541	1.9
97.10176	2.3
98.23405	3.2
99.04439	7.4
99.08096	69.0
103.05479	2.2
105.01877	6.4
105.07036	25.4
107.04983	2.0
107.08598	14.1
107.88390	1.9
109.02885	22.0
109.06515	10.8
109.10147	10.8
111.08060	3.7
117.01905	1.9
119.08582	26.4
121.06515	2.9
121.10139	29.6
123.08028	9.3
123.11704	5.9
125.05952	2.7
125.09635	15.9
127.03925	24.1
129.01808	1.7
129.06947	2.0
131.08600	4.1
133.10149	17.1
135.08076	2.3
135.11719	5.0
137.09637	6.8
137.13263	1.8
139.11211	6.6
143.08546	5.6
145.04980	7.6
145.10143	9.6
147.08044	2.5
147.11682	32.3
149.13300	3.4
151.11157	4.7
157.10156	8.8
158.90439	1.8
159.02832	9.8
159.08105	1.6
159.11736	11.3
161.09666	4.0
161.13275	5.2
165.09134	2.8
165.12762	17.9
170.10948	1.8
171.11671	8.4
173.13260	4.9
175.14841	5.0
177.12796	3.4
179.14331	16.7
185.13313	11.0
189.12671	1.8
191.14224	1.7
199.14761	11.2
201.16420	14.2
203.05267	2.1
203.14351	5.1
217.15930	3.5
218.16772	1.9
231.05003	4.6
241.19597	9.8
243.04735	3.8
245.06369	1.9
259.16644	3.9
259.20584	93.8
260.20963	6.8
277.04739	3.4
277.17841	9.7
277.21405	8.9
287.03751	17.1
289.05255	18.6
375.17950	1.7
382.71924	1.8
408.69962	1.8
439.22995	7.1
463.22995	2.3
481.24026	35.0
482.24323	3.2
507.22034	5.9
525.22943	100.0
525.29980	30.4
526.23004	9.2
526.30371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
67.05511	1.3
69.03436	1.2
69.07067	1.3
70.56115	1.5
71.04995	0.8
77.20501	0.5
79.05486	0.9
81.03444	1.0
81.07070	2.6
85.02909	1.5
85.06548	1.4
88.03243	0.5
91.05493	1.4
93.07056	1.6
95.04986	0.6
95.08614	2.1
96.08906	0.7
99.08107	0.6
105.01775	0.5
105.07030	1.1
107.08586	1.8
108.08988	0.6
109.06532	0.6
109.10162	1.8
111.08089	0.8
112.39483	0.5
113.06003	0.5
119.08584	1.3
121.10118	1.0
123.11704	0.7
125.09633	0.5
127.03954	0.8
131.08578	0.7
133.10126	0.8
145.10188	0.6
147.11702	0.8
161.13437	0.4
187.14777	0.6
196.08353	0.6
203.05272	39.6
221.06351	0.6
259.16708	1.2
259.20761	0.9
275.19818	10.2
277.17767	4.0
289.05380	0.8
345.23993	20.3
346.24255	1.5
347.25659	2.1
421.21808	0.8
439.22964	5.9
440.23746	0.6
481.24109	14.2
482.24521	0.9
507.21860	1.1
525.22894	33.9
525.30292	100.0
526.23242	3.5
526.30627	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	526.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.5
63.98261	0.3
66.45536	0.3
69.03423	1.0
78.04722	2.0
79.05490	0.8
81.03407	0.4
85.02908	4.3
97.02885	1.4
106.04179	1.2
110.06239	0.4
123.04435	5.3
124.05199	1.8
127.03959	0.4
134.03564	0.4
137.05899	0.4
145.04982	1.5
149.09647	0.5
151.03928	0.6
152.04691	1.3
167.07042	100.0
168.07365	2.9
180.08734	0.7
185.04205	1.0
200.66367	0.3
203.05200	0.8
269.96878	0.4
272.24115	0.4
347.09491	0.7
365.10626	0.9
496.09396	0.4
527.15863	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	526.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46742	0.2
66.04707	0.3
69.03407	1.1
69.03717	2.2
69.62193	0.2
70.06596	2.0
72.08149	0.5
79.05480	0.4
84.08106	0.4
85.02890	1.2
86.09703	2.1
91.05497	0.6
94.04179	1.2
97.02869	0.5
98.22463	0.3
100.11244	0.4
103.05461	1.3
105.06940	0.3
117.30933	0.2
119.04964	0.4
122.03658	3.4
127.03915	0.4
131.04947	2.2
137.05974	100.0
138.06299	2.4
149.06000	2.0
163.07541	1.9
175.07495	0.3
175.57436	0.2
181.08591	7.3
237.10213	0.4
238.41550	0.3
265.09714	0.5
272.79004	0.3
325.10861	0.4
355.12189	0.3
369.10974	0.4
473.88153	0.3
494.19876	0.3
526.23242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22295	2.9
55.01873	7.4
55.05510	11.8
59.57621	2.6
66.58759	2.6
67.05505	13.0
68.15059	2.5
69.03428	5.1
69.07134	20.2
71.04993	11.3
79.05505	11.9
81.07057	34.7
83.01360	5.6
83.04996	19.1
83.08612	7.8
85.02920	3.4
85.06551	7.3
91.05480	11.6
93.07048	42.5
95.04959	12.3
95.08606	26.1
96.07185	2.6
97.06534	22.4
99.04466	13.6
100.11272	9.9
101.02353	3.0
101.06039	4.0
105.07032	22.5
107.04942	3.6
107.08596	25.5
109.06537	18.9
109.10146	6.8
111.00809	9.3
111.04419	4.6
111.08108	22.0
112.24012	2.8
113.06027	4.7
113.98208	2.4
115.03899	4.2
119.08578	17.2
121.06508	42.2
121.10176	4.6
123.08129	7.4
123.11711	8.7
125.02327	2.6
125.05972	14.7
126.48262	2.8
127.07573	8.8
128.07138	3.2
129.05495	5.9
129.06995	3.2
131.08612	4.2
133.04959	3.6
133.06485	4.0
133.10094	13.2
135.08084	9.8
137.05931	5.6
139.07492	16.2
143.03423	4.8
143.07050	15.6
143.08580	5.4
145.10155	11.2
147.07964	3.1
147.11703	43.6
148.53419	2.6
149.13274	4.3
151.11215	5.4
157.01355	3.4
157.08635	9.2
157.10161	12.4
159.06563	7.1
161.05980	3.8
161.13243	4.9
165.12778	16.3
169.12231	30.7
171.02841	14.3
171.11682	9.7
175.11211	29.0
182.15407	3.4
185.04568	3.0
189.12738	18.0
193.12253	35.7
199.11232	12.1
203.05611	3.5
207.13808	9.2
210.14958	7.2
211.13301	41.1
211.15221	4.3
217.12244	58.6
218.12505	3.4
228.44376	2.7
229.14337	24.3
231.05005	43.7
235.13303	79.5
236.13687	3.1
244.20335	3.1
245.06560	10.7
253.14333	100.0
254.14670	4.2
263.07596	2.9
271.15439	14.1
280.43542	2.7
289.16452	3.8
381.15762	3.0
383.26541	2.9
399.15842	3.4
423.16403	9.2
441.17615	16.2
459.18704	3.5
526.23596	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	526.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80407	2.6
53.03960	2.7
55.05522	16.4
57.03439	4.6
57.07067	10.7
65.03957	2.7
65.85919	2.7
67.05502	36.7
69.03429	16.1
69.07067	22.7
71.08614	2.5
79.05492	30.0
81.03414	20.5
81.07061	50.7
83.04950	5.5
83.08617	6.0
85.02895	14.8
85.06505	4.2
87.04462	4.5
89.06033	100.0
91.05464	24.2
93.07047	34.9
95.04961	4.5
95.08609	37.4
97.02889	10.7
97.06525	5.1
99.04459	4.0
103.03976	3.1
105.07031	25.1
107.04945	6.0
107.08595	30.4
108.25822	2.9
109.02898	5.9
109.06538	4.9
109.10160	26.1
111.04408	4.3
111.08091	4.5
117.07021	11.0
119.08589	24.5
121.06549	4.0
121.10155	26.6
123.08071	5.0
123.11698	10.2
125.09650	2.8
127.03874	4.6
128.06195	4.2
129.06982	6.7
131.08542	19.1
133.08615	59.8
133.10110	19.9
135.08052	7.0
135.11700	13.8
137.09598	8.3
137.13297	3.9
139.07635	3.6
143.08559	6.2
145.10104	18.2
147.07977	4.5
147.11700	13.4
149.09610	6.2
149.13252	8.8
157.10143	11.0
159.08087	5.3
159.11714	13.8
161.09489	5.0
161.13310	5.6
163.11246	3.6
163.14828	5.1
165.09103	4.0
169.10118	3.8
171.11658	6.9
173.09651	3.9
173.13274	11.1
175.11119	3.6
175.14883	5.2
177.09126	10.7
177.11195	16.5
182.75154	2.9
183.11646	6.0
185.13263	5.4
187.11212	3.9
187.14812	7.9
189.12743	3.8
189.16446	5.5
195.10173	7.2
195.59784	3.2
199.11182	3.5
199.14810	3.6
201.12712	4.0
213.12726	3.1
215.14380	3.5
217.15950	3.7
221.13847	3.8
223.14819	3.2
239.14923	5.5
261.22159	8.0
263.16183	7.3
273.21997	4.2
283.17303	3.9
303.23013	4.5
327.20032	33.3
369.24112	9.6
387.25098	6.5
405.26202	5.4
421.30960	3.3
449.30377	5.3
454.54904	3.3
467.31488	12.3
508.34128	5.2
526.36389	58.0
527.33801	31.1
552.70862	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	526.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.6
57.03440	7.2
59.05001	5.5
67.05176	7.2
67.05505	100.0
69.07058	15.5
69.21055	3.8
69.22755	8.5
69.23148	30.3
71.04973	6.9
71.33420	4.6
79.05489	15.7
81.07060	44.6
83.08619	13.6
83.34641	4.8
85.06547	4.7
89.06026	50.0
91.05482	15.2
93.07034	13.8
95.08600	29.5
98.23374	7.9
105.07024	6.4
107.08595	11.7
109.10154	77.9
117.27116	4.5
119.08572	13.8
121.10124	7.9
123.11695	6.9
133.08595	28.9
133.10132	9.2
135.11778	4.6
173.11749	17.0
177.11195	11.9
229.14345	65.4
327.20163	18.6
337.27347	75.0
449.18610	6.0
491.37131	46.4
526.35602	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	526.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07077	52.7
57.39626	1.1
69.04261	9.9
69.07059	7.4
70.27748	1.2
71.08238	2.5
71.08634	50.6
73.06558	5.3
79.02647	0.9
79.63840	1.2
83.08643	2.9
85.10185	31.7
87.04484	3.1
89.06033	100.0
95.08627	1.6
97.10178	3.3
98.22598	2.1
99.11745	7.2
107.07098	2.7
111.11740	2.7
113.13319	6.1
117.09148	4.8
125.13287	2.2
127.14874	3.0
127.45541	1.2
130.53609	1.4
133.08604	59.9
145.66438	1.2
151.09760	1.4
160.75981	1.4
172.86769	1.2
177.11218	23.1
184.95070	1.2
210.41182	1.0
221.13899	4.7
239.14890	3.4
269.97601	1.1
271.26385	2.7
283.17548	3.5
315.28879	4.2
327.20114	16.2
365.10641	2.4
421.35114	1.2
509.40549	14.3
510.40057	1.8
526.30902	1.3
527.15759	4.2
527.32922	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
55.70100	1.6
56.05044	4.3
56.62371	1.4
57.07078	3.4
60.04533	55.2
64.10964	1.3
64.13673	1.7
67.04251	1.7
67.05519	8.6
69.07084	3.5
69.90644	1.3
71.08645	1.7
76.31493	1.8
79.05508	6.1
80.05031	2.1
80.81846	1.4
81.03427	2.4
81.07059	8.7
82.06591	14.0
83.08640	3.9
89.06038	14.6
91.05478	5.0
93.07053	12.0
94.06567	12.5
95.04985	10.1
95.08625	5.7
96.08186	4.0
97.10215	1.9
98.09721	4.3
108.08142	2.8
109.06529	1.5
110.06037	2.1
110.09693	9.3
111.08112	2.9
112.07653	2.3
112.09033	1.4
120.08115	6.6
121.06544	3.6
122.38514	1.5
126.09168	10.4
133.08635	10.3
138.09138	42.2
139.07594	5.4
156.10214	29.3
173.16618	1.5
174.11305	9.8
327.20239	4.7
416.73212	1.5
490.42630	2.7
508.43591	27.0
509.44006	2.7
526.44763	100.0
527.45221	8.2
530.79669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1584
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
55.41056	0.4
63.33553	0.4
69.03421	0.8
77.30894	0.5
81.56767	0.4
85.02906	1.7
89.23908	0.3
97.02904	0.5
98.22645	1.2
101.00858	0.5
112.01421	0.5
119.01921	0.6
120.01905	0.4
125.85084	0.4
126.87101	0.4
127.03921	1.0
139.66052	0.4
142.01727	0.6
143.01953	0.7
145.04965	0.6
155.01862	0.6
161.02972	0.9
167.01878	0.4
173.02933	0.9
184.04897	0.4
185.02916	1.4
185.04228	26.4
186.04572	0.9
193.29826	0.4
197.02959	0.7
197.20491	0.4
203.03543	2.0
203.05266	32.0
204.05789	0.5
207.25317	0.3
221.04474	1.3
227.03909	0.4
245.05031	4.4
263.06107	0.6
275.06113	1.2
347.09500	32.9
348.09872	1.3
365.10532	31.6
366.11014	1.0
527.15826	100.0
528.16156	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	527.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92416	0.4
70.92761	0.6
101.00906	1.3
119.01929	1.6
131.01930	1.1
143.01929	0.6
145.03465	0.8
155.01869	2.0
156.48332	0.4
157.03398	0.6
161.02983	1.2
167.01945	1.1
173.03017	2.0
185.02927	2.5
185.04248	26.0
197.03001	1.8
203.05278	27.7
209.88127	0.4
215.04149	0.7
227.03963	0.9
243.76984	0.4
245.05057	11.2
246.05223	0.7
257.05099	0.6
263.06149	1.2
275.01050	0.5
275.06259	1.6
300.45288	0.4
305.07333	0.4
316.96033	0.4
342.63745	0.4
347.09479	29.8
348.09958	1.1
365.10538	30.0
366.11081	1.4
511.92960	0.4
527.15833	100.0
528.16144	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	527.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03935	0.7
55.01882	2.7
56.13833	0.5
61.02920	0.5
65.03937	1.3
67.05501	4.0
69.03423	1.4
69.07029	0.5
70.06591	1.4
71.30719	0.5
73.02924	1.2
74.06124	0.5
79.05476	0.6
81.03416	0.8
81.07059	2.1
83.04976	1.3
85.02895	1.8
85.06514	0.6
86.09698	1.5
91.05481	2.9
92.05840	0.6
93.07035	2.1
94.06568	2.4
95.04967	0.9
97.02901	0.9
97.06535	1.3
105.07008	1.4
107.08585	1.2
108.04486	1.3
108.08125	1.4
109.02881	0.7
109.10167	0.7
117.06954	0.7
119.08514	0.7
122.06026	9.8
126.05519	1.3
127.03933	0.8
129.01851	0.7
129.95358	0.6
133.10046	0.8
136.07571	76.8
137.05968	1.1
137.07947	1.5
140.07051	2.1
143.08635	0.6
147.04289	0.5
147.11714	0.8
150.05505	0.6
157.10109	0.6
164.07060	100.0
165.07466	3.5
165.08667	0.5
167.07013	0.6
168.06557	1.0
174.62527	0.5
182.08133	7.7
212.57904	0.5
238.83328	0.6
286.10736	0.9
303.13318	0.9
335.05286	0.6
352.10260	25.1
353.10590	1.7
365.13907	0.9
368.09677	0.7
370.11307	24.0
371.11539	1.6
388.12238	1.7
452.06818	0.6
491.16699	0.9
527.16583	1.1
527.24756	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	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50887	2.0
72.54339	0.8
108.20683	0.9
170.34648	0.8
192.72438	0.8
203.05325	1.3
227.05312	1.1
245.06386	5.0
261.18356	1.9
279.19421	5.2
289.05338	10.7
327.68066	0.8
336.75305	0.9
423.23642	2.2
441.24402	6.0
465.24649	4.6
483.25635	21.6
484.26041	1.4
509.23508	23.7
510.23529	1.6
527.24664	100.0
528.24866	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	527.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49080	0.6
59.04389	0.7
67.05476	1.0
70.06599	1.3
70.31464	0.8
70.31824	2.1
72.08164	1.7
73.02894	1.0
81.07061	1.5
85.02911	0.9
86.09711	0.8
91.05487	0.9
93.03419	1.5
93.07066	1.2
95.04964	0.8
95.08615	0.9
97.02911	0.8
107.08562	0.6
112.69935	0.7
119.08600	1.0
129.07089	0.8
135.11700	0.8
136.65482	0.6
137.05977	0.7
143.08517	1.0
147.11732	0.8
167.07088	1.0
179.06924	0.8
184.07455	1.0
185.04268	1.2
199.11253	1.9
203.05360	0.8
231.73177	0.8
245.06396	1.7
261.18295	1.4
279.19315	4.7
289.05292	3.3
315.64929	0.8
423.23502	1.9
441.24646	6.1
465.24811	5.1
483.25671	21.7
484.25571	1.2
509.23563	23.9
510.23862	1.3
527.24622	100.0
527.30908	3.7
528.24792	8.3
535.72546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74829	0.5
72.75404	0.4
74.98983	0.4
75.17140	0.6
93.07052	0.6
95.08587	0.6
100.88535	0.5
105.07013	0.6
119.08575	0.7
129.90987	0.6
177.61464	0.5
185.04308	0.6
227.05267	0.6
261.18393	1.1
279.19299	5.1
423.23486	1.7
441.24561	6.8
442.24796	0.7
465.24603	8.4
466.25320	1.0
483.18430	0.6
483.25668	25.7
484.25781	2.6
509.23550	27.8
510.23932	2.0
527.24652	100.0
528.24878	9.1
528.32471	1.0
534.67938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05515	1.5
57.03452	0.7
58.87790	0.5
61.02929	0.7
67.05522	1.9
69.03437	2.5
69.07072	1.0
69.20168	4.8
71.04994	0.8
72.08163	0.8
79.05492	1.3
81.03420	0.9
81.07079	2.7
81.18288	0.6
83.04991	0.7
85.02933	2.8
85.06552	1.9
86.06943	0.8
91.05502	2.9
93.07064	2.6
95.05002	1.5
95.08593	3.7
97.02923	1.7
99.08093	1.7
105.07056	2.5
107.08619	2.5
109.02901	1.4
109.06559	0.7
109.10178	1.3
117.07014	0.8
119.08620	2.5
120.08947	0.8
121.06532	0.7
121.10186	1.8
123.11761	0.9
127.03957	1.5
131.08609	1.4
133.10152	1.8
137.05983	0.6
143.08601	0.9
144.96758	0.6
145.10141	1.3
147.08092	0.7
147.11739	1.4
157.10107	0.7
159.11659	1.2
171.11743	1.1
173.13284	1.1
181.10135	0.7
187.14912	1.1
201.16499	0.8
203.05334	1.4
203.14386	1.8
227.05330	0.7
245.06439	4.4
259.20587	0.8
260.20959	0.9
261.18289	2.4
261.20944	1.0
266.80450	0.7
279.19327	5.3
287.03787	1.0
289.05338	9.6
294.46396	0.6
365.23322	1.0
423.23569	2.0
441.24582	6.8
465.24481	3.3
483.25708	23.9
484.26163	1.3
509.23660	15.6
509.31027	1.3
510.23959	0.9
527.24701	100.0
527.32111	9.7
528.25079	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	527.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35121	2.1
55.01878	3.0
55.05514	6.8
67.05517	11.4
69.07076	10.1
69.68810	9.7
73.64262	2.2
77.29947	2.3
79.05514	6.8
81.07053	21.4
83.05009	2.8
91.05486	10.9
93.07054	12.4
95.04946	2.5
95.08613	23.9
98.22742	4.4
104.10737	5.4
105.07043	17.3
107.08582	17.3
109.06569	3.4
109.10143	13.9
111.08091	3.5
117.07022	5.0
119.08591	19.4
121.06520	2.7
121.10159	22.1
123.11720	7.9
131.08594	6.5
133.10117	13.7
135.08063	8.0
135.11693	12.0
137.09618	3.9
137.13261	4.4
139.07504	3.2
142.07764	2.5
143.08585	7.8
145.06477	2.7
145.10179	15.4
147.08017	5.8
147.11705	8.1
149.09645	5.6
149.13286	7.7
155.08562	3.4
156.09346	3.0
157.10124	10.7
159.08040	3.2
159.11728	12.4
161.09642	4.6
161.13263	8.4
171.11761	3.4
173.09715	4.9
173.13284	6.3
175.07504	3.2
175.11171	5.1
175.14793	4.7
177.12775	2.9
179.10599	2.9
181.10092	3.5
183.11710	2.7
185.13293	5.5
187.11174	2.9
187.14835	5.7
189.12839	7.3
189.16399	7.0
191.14322	2.6
195.11626	4.8
199.11151	3.1
201.12787	6.3
201.16370	4.2
203.14279	3.0
205.12230	2.9
205.19440	2.4
209.13130	2.6
211.14815	3.5
213.12663	2.3
215.14290	5.4
217.15909	3.5
219.13870	7.2
226.61334	2.4
227.14211	3.0
229.15887	2.8
231.13857	3.7
233.15346	2.7
237.12798	2.8
249.14868	7.6
265.15924	2.4
279.17465	3.1
309.17657	2.6
333.25226	2.2
338.15219	2.4
401.19968	2.5
403.29797	2.7
421.31332	3.5
425.50742	2.3
431.29468	5.1
449.30554	8.0
467.31415	13.9
481.33026	5.0
485.32516	3.8
509.32211	12.3
527.26367	60.4
527.32965	100.0
528.26422	3.4
528.33978	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	528.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	15.8
55.05508	10.8
55.21647	5.5
56.91685	5.6
57.03429	9.8
67.05518	11.6
69.03433	11.8
69.07066	22.7
70.06587	20.8
70.58066	14.9
71.05009	15.2
72.08171	12.2
76.38096	7.1
79.05489	22.9
81.03426	7.4
81.07073	41.3
83.01371	7.0
83.04988	17.7
84.08140	6.9
85.02909	14.7
85.06566	9.4
86.09700	13.1
91.05499	23.1
93.07047	56.6
95.04972	100.0
95.08611	17.9
97.06534	20.1
99.04478	10.3
105.07030	38.1
107.04990	8.2
107.08602	31.7
109.06514	23.6
111.00773	10.0
111.04469	15.5
111.11816	7.3
119.04936	6.2
119.08607	12.7
120.62792	6.0
121.06508	13.8
121.10130	29.8
125.05974	11.8
129.01787	13.8
131.08575	17.8
135.11722	15.5
139.03952	8.8
139.11186	12.9
143.07025	10.6
145.10123	49.6
147.08058	8.5
149.09579	10.5
151.07553	27.4
155.07040	26.1
159.11713	17.5
163.11168	45.4
169.12251	8.6
171.02907	12.2
173.09613	19.9
181.12263	16.0
187.11136	30.1
189.04048	11.8
191.10725	50.4
193.08636	7.4
205.12306	21.3
209.11690	39.8
215.10715	21.8
231.05089	30.4
233.11790	42.0
251.12802	28.7
269.13867	21.2
369.15402	23.5
421.14685	14.7
439.15921	54.1
453.32831	6.3
457.17010	50.5
516.18237	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01861	7.6
55.05509	5.2
56.39119	1.7
57.03425	7.8
59.72661	1.7
61.02917	7.3
67.05508	6.5
69.03429	42.0
69.07063	5.6
70.62293	3.9
71.05000	9.2
73.02901	6.3
75.57652	1.7
79.05479	6.1
81.03425	21.2
81.07059	13.3
83.04971	5.3
83.08617	5.0
85.02906	100.0
87.00831	51.5
91.05470	5.1
93.07034	14.7
95.04949	5.1
95.08585	11.6
97.02902	34.0
97.06531	10.7
99.04443	16.4
103.03899	2.2
105.01871	66.5
105.07031	14.0
107.08573	7.7
109.02881	27.0
109.06509	8.2
109.10147	2.5
111.04475	1.9
111.08096	10.9
115.03924	3.5
117.01833	3.5
117.07060	2.9
119.08581	6.5
121.06506	17.1
121.10127	2.0
123.08070	4.8
123.11713	2.1
125.06009	3.9
127.03914	70.0
127.07531	4.4
128.04257	2.5
129.01819	1.9
131.08546	3.1
133.06412	1.7
133.10118	6.2
135.08037	6.1
139.07527	13.0
141.09085	6.5
143.07123	2.8
143.08525	3.3
145.04947	24.2
145.10149	3.0
147.08029	2.3
147.11688	14.1
149.09633	2.1
151.07524	5.3
157.08566	4.6
157.10063	3.5
159.02879	7.5
161.13205	2.3
165.12761	5.6
167.10684	2.1
169.12239	6.0
171.11729	4.2
173.09720	1.8
175.11191	13.6
189.03860	4.0
189.12712	6.2
191.10643	5.7
193.12210	15.7
199.11221	6.7
207.13783	4.4
209.11732	15.4
211.13284	11.1
213.03938	4.1
217.12207	15.2
229.03406	3.4
229.14388	3.5
231.05002	16.0
235.13326	19.9
249.06123	5.7
253.14351	26.0
269.13843	5.8
271.15448	4.1
295.11783	24.0
313.12762	8.1
331.13632	2.6
439.15918	15.9
457.16736	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	528.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01891	0.5
55.05508	0.6
57.03424	0.3
57.91732	0.3
58.46455	0.3
61.02910	0.8
69.03431	2.4
69.09806	2.4
69.10212	0.7
70.06588	2.5
71.04982	0.4
72.08165	0.6
73.02912	0.4
79.05503	0.3
79.74204	0.3
81.03419	1.2
83.04903	0.4
84.08134	0.5
85.02911	6.4
86.09698	3.3
87.00821	1.6
91.05482	1.0
94.04185	1.1
94.51464	0.4
97.02889	3.0
98.22523	0.7
99.04456	0.7
105.01860	4.7
107.04975	0.4
108.16046	0.4
109.02869	1.5
119.04975	0.7
122.03632	3.3
127.03919	3.5
131.04922	0.8
133.06299	0.3
137.05975	100.0
138.06334	1.7
145.04958	2.1
151.07535	0.5
159.02849	0.5
161.05930	0.4
163.07550	2.3
167.07060	0.6
173.80067	0.3
181.08601	11.6
189.04123	0.4
231.04994	1.4
249.05937	0.6
309.07407	0.3
335.09427	0.9
336.09756	0.5
361.02301	2.3
379.03168	0.8
428.63660	0.4
528.24982	3.5
529.16998	0.7
529.25793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24322	1.0
51.08897	1.0
55.05511	6.3
57.03436	1.0
57.07077	3.0
58.16467	1.0
60.04535	2.8
65.03937	2.3
67.05510	8.6
68.05032	11.6
69.03450	3.1
69.07072	6.2
69.19970	3.9
69.20387	3.4
70.06594	21.3
71.05019	1.9
74.82079	1.0
79.05495	5.4
80.05022	4.0
81.07067	7.4
81.99213	1.0
82.06584	10.2
83.08645	2.5
84.08147	21.2
85.88282	1.1
86.06097	1.3
91.05482	5.4
93.07056	4.6
94.06575	5.3
95.04986	1.3
95.08605	5.4
96.08137	9.6
97.06545	1.2
97.10191	2.1
98.23343	2.1
105.07031	2.3
106.06553	2.7
107.08595	2.5
109.10185	1.4
110.06042	5.8
112.07602	31.5
112.08335	1.8
115.05436	1.8
117.71780	1.1
118.06567	2.5
119.04949	7.3
120.08118	1.3
121.10151	2.9
122.06091	1.3
124.07617	6.3
130.06578	1.7
132.08098	1.3
132.69818	1.1
135.11725	1.1
144.08221	1.2
163.07558	2.1
187.07687	1.5
213.43707	1.2
274.14297	1.4
277.79926	1.4
283.26294	3.0
318.28217	1.4
348.29092	3.4
366.30032	100.0
367.30237	6.3
510.28708	1.9
510.35822	31.7
511.36069	3.6
528.36908	14.4
528.49554	2.3
529.37500	1.8
530.62408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
56.45389	1.2
57.07079	24.4
60.22866	1.3
61.44808	1.2
69.45339	3.9
69.45764	4.7
71.08640	24.9
73.06550	6.9
77.37236	1.3
83.08624	3.3
85.10190	24.6
87.04460	4.2
89.06039	100.0
98.23320	2.6
99.11755	2.5
105.07040	1.5
107.07082	3.5
117.09155	5.8
121.10146	1.5
130.08650	1.4
130.18433	1.4
133.08612	47.3
141.16373	3.8
162.27542	1.6
177.11234	16.7
177.12634	1.8
185.02644	1.2
185.19060	3.9
221.13905	2.3
229.21648	8.8
239.14978	1.9
254.69380	1.4
256.26443	2.1
273.24222	4.1
273.68738	1.3
283.17725	1.9
371.22662	3.9
511.38370	5.2
528.33276	2.5
528.41840	1.4
529.34100	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	529.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.4
57.05822	0.5
57.84135	0.2
69.07068	8.2
70.06599	0.5
71.31748	0.2
74.02438	0.7
75.05602	1.7
86.06072	3.2
86.09706	100.0
87.05591	1.3
87.10034	1.6
90.71998	0.2
105.06966	0.2
114.05532	8.4
116.77157	0.2
132.10217	0.2
133.06090	7.1
143.08138	0.3
143.11798	8.0
156.51244	0.3
158.31638	0.2
171.07640	3.3
171.11232	0.6
199.18066	0.2
216.74153	0.2
228.13438	0.3
229.11887	1.8
234.98978	0.3
238.15456	0.9
246.11871	0.4
246.14497	11.5
256.16568	14.0
257.16818	0.5
273.14642	0.2
284.16055	25.4
284.19250	0.8
285.16428	1.0
316.20181	0.2
369.25073	0.3
397.24335	1.9
407.11768	0.3
425.12466	0.4
443.13474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91141	1.2
57.95592	1.1
58.52678	1.2
59.53531	1.3
71.32294	1.1
78.69096	1.1
81.07078	2.4
95.08620	1.3
109.10207	1.7
114.76484	1.1
115.03691	6.4
121.10223	1.2
124.93791	2.5
145.10104	1.2
198.97446	14.9
200.46130	1.1
216.98578	1.5
218.45319	1.1
285.89380	1.2
346.63028	1.3
437.20258	1.6
437.25494	2.5
457.03497	1.3
529.30017	100.0
530.30359	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	529.3133
Annotation	Milbemectin
Peak:m/z	Relative Intensity
54.64529	0.5
63.00738	0.4
67.05511	0.8
71.08638	0.6
79.05479	0.6
81.07036	0.6
86.09705	0.5
95.08606	0.8
109.61924	0.5
119.08642	0.5
144.70271	0.5
147.57893	0.5
195.00418	1.1
196.83899	0.5
256.26483	0.8
353.19385	0.7
529.31354	100.0
530.31659	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	529.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01873	0.7
55.05506	2.3
57.03441	0.6
63.01783	0.6
67.05499	1.3
69.03431	2.0
69.07066	1.6
70.06600	1.1
71.05012	0.8
71.30846	0.8
73.02889	0.7
79.05495	2.1
81.03426	1.2
81.07058	4.2
82.92554	0.5
83.04992	1.5
83.08627	1.9
84.08146	0.6
85.02905	2.4
86.06075	0.8
91.05486	3.0
93.07033	2.4
95.04967	1.1
95.08617	3.1
97.02924	0.9
97.06540	1.3
97.10178	0.9
98.09720	0.8
99.04477	0.9
100.07701	0.5
100.11246	3.7
100.25873	0.5
105.07047	2.7
107.08601	1.7
109.02917	0.6
109.06478	1.3
109.10184	1.3
111.04455	1.2
111.08062	0.7
116.10738	0.8
117.07040	1.3
119.08624	1.8
121.06509	0.9
121.10174	1.9
122.03653	0.8
123.08086	0.8
125.09673	0.7
127.03917	1.8
129.05513	0.6
131.08546	1.5
133.10159	1.0
133.11087	0.6
135.08069	0.7
137.05986	7.6
145.04918	0.8
145.10124	1.6
147.11737	1.3
149.09641	0.7
157.10085	0.9
159.04204	7.1
161.09489	0.6
168.13852	1.2
171.11681	0.6
173.13297	0.9
182.15474	1.2
185.04268	0.6
196.13394	0.7
199.14996	0.7
203.05267	12.2
203.07018	1.1
208.25258	0.6
210.14830	1.3
216.61267	0.7
271.04337	1.6
275.20123	0.9
281.21051	1.0
289.05505	0.9
349.23236	0.8
349.27182	12.6
367.23981	0.9
376.54034	0.6
407.09567	0.8
432.18668	1.9
443.26352	1.1
485.14227	1.4
485.26993	2.5
499.32642	0.7
511.25070	2.5
529.12671	1.6
529.26184	10.6
529.33508	100.0
529.90051	1.0
530.26172	1.5
530.33734	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	529.3528
Annotation	Bridgesigenin C
Peak:m/z	Relative Intensity
53.03955	3.9
53.52233	2.8
55.05513	18.4
57.07076	5.7
67.05511	21.9
69.03426	6.2
69.07073	30.5
69.19852	24.4
71.05009	5.6
71.18169	3.1
76.89752	3.3
79.05507	21.1
81.07059	56.9
83.04988	5.1
83.08620	9.2
84.99490	3.3
88.44412	3.3
91.05482	30.5
93.07048	50.4
93.23695	3.2
94.42372	3.3
95.04985	12.4
95.08607	83.0
97.06553	9.5
97.10195	4.0
98.22582	5.3
105.07033	42.2
107.08598	68.6
109.06541	11.0
109.10163	48.1
111.08086	7.0
117.07032	10.6
119.08588	83.1
121.06508	7.9
121.10153	60.3
123.08072	13.2
123.11716	34.9
125.09670	7.5
127.11194	5.3
131.08630	20.9
133.06471	5.8
133.10139	69.9
135.08061	13.1
135.11708	66.2
137.05988	7.7
137.09662	5.9
137.13280	11.0
139.11174	4.2
142.07800	4.2
143.08609	16.7
145.10126	42.9
147.08049	11.4
147.11696	45.3
149.09639	7.5
149.13264	12.9
151.07532	4.5
151.11197	8.2
155.08583	5.1
156.09303	7.4
157.10120	20.9
159.08031	11.4
159.11700	32.3
161.09613	10.7
161.13322	21.2
163.11186	6.2
163.14772	7.6
165.09138	4.1
165.12810	6.4
167.08589	4.4
169.10161	6.9
171.11717	16.5
173.09602	28.7
173.13246	26.5
175.07568	5.0
175.11235	15.1
175.14804	32.9
177.16400	11.6
179.10757	4.8
181.96292	3.5
183.11687	9.7
185.09650	7.1
185.13263	14.6
187.11229	21.7
187.14818	22.7
189.12666	16.1
189.16403	53.2
191.10703	7.7
191.18054	10.1
193.15906	10.9
195.11714	4.5
197.13307	9.1
198.97466	13.1
199.11221	13.0
199.14885	9.2
201.09120	17.4
201.12772	15.1
201.16435	14.0
203.10567	9.3
203.14410	11.1
203.17984	13.9
205.12256	3.4
211.14816	7.7
213.12708	9.1
213.16428	7.2
215.14339	29.3
215.17967	6.1
217.15964	10.2
219.13858	6.7
219.17403	4.2
227.14343	8.2
227.17992	4.4
229.15871	8.9
231.13843	14.1
233.15453	28.5
233.18834	3.6
241.15852	18.1
243.13829	35.8
245.15390	8.4
247.16994	10.6
249.14754	7.9
251.16356	5.7
255.17331	6.6
258.19547	3.2
259.17090	12.9
261.14816	31.3
285.18448	5.0
287.20078	4.9
299.19958	5.4
311.20111	3.7
329.21075	3.9
347.23972	3.5
391.30020	6.9
405.31711	4.7
409.30804	4.6
415.30243	5.7
423.32513	7.0
433.30957	30.8
451.32214	39.0
452.32541	4.0
467.35489	3.3
469.33176	50.3
470.33502	6.0
483.34454	9.5
493.33246	24.2
494.33502	4.6
511.34247	100.0
512.34448	11.6
529.35358	59.7
530.34772	4.4
539.54669	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	529.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	10.0
55.05508	13.3
61.17960	8.7
64.68152	8.8
65.03933	10.6
67.05496	49.9
69.07072	22.5
69.71583	24.0
69.71972	17.3
79.05491	34.2
81.07057	62.1
82.56639	9.4
83.08627	13.8
87.04465	19.7
91.05498	41.8
93.07058	56.8
94.78925	9.8
95.08620	63.2
96.40394	9.7
98.23236	15.6
105.07018	22.3
107.07965	12.0
107.08559	53.1
109.10166	31.4
119.08568	45.9
121.06499	100.0
121.10159	31.3
123.08051	11.3
123.11756	11.5
125.05980	31.6
131.08586	23.6
133.10127	36.9
135.11696	21.8
139.07535	51.4
145.10104	19.4
147.00046	10.0
147.11661	18.2
149.13162	14.1
152.08366	13.8
157.10144	14.0
159.11661	18.5
161.13310	11.3
173.09619	16.0
173.13297	20.1
175.11040	9.9
187.14915	14.3
189.12785	12.0
189.16469	11.0
191.10712	10.0
191.17953	32.4
201.12772	16.1
215.14307	23.0
217.16077	14.3
219.13747	61.3
219.17352	11.6
233.15411	83.6
234.16165	92.0
266.15152	11.6
305.69617	9.2
529.38519	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	529.3529
Annotation	25-O-Acetyl-7,8-didehydrocimigenol
Peak:m/z	Relative Intensity
55.05511	11.7
57.03445	3.7
57.07068	5.7
67.05510	30.9
69.03435	3.7
69.07074	25.7
69.34279	13.7
71.01371	2.6
71.04997	4.7
74.94500	2.2
79.05493	16.0
81.07061	50.7
83.04992	6.9
83.08619	9.0
85.06566	2.9
91.05492	16.5
93.07053	29.8
95.04967	5.7
95.08612	63.6
96.08982	3.2
97.06526	8.2
97.10167	2.6
99.08097	3.8
105.07037	25.8
107.08609	32.9
109.06523	8.6
109.10164	100.0
111.08097	5.1
111.11695	5.6
117.07005	4.4
119.08583	39.5
121.06499	11.3
121.10147	41.5
123.04472	2.8
123.08076	11.0
123.11704	35.6
125.06012	3.0
127.11213	28.1
131.08562	14.3
133.10135	32.0
134.10451	3.6
135.08040	11.2
135.11682	19.1
137.06009	4.2
137.09631	8.7
137.13243	14.2
139.07556	11.2
143.00656	2.5
143.08580	9.8
145.06477	2.3
145.10121	20.9
147.08032	4.7
147.11682	14.8
149.09665	5.7
149.12134	2.8
149.13269	11.1
151.07558	5.4
151.11198	4.8
151.14836	3.3
153.12784	3.9
155.08588	2.5
155.10672	3.6
157.10121	11.2
159.08073	6.8
159.11684	19.8
161.09615	12.2
161.13254	12.3
163.07574	3.1
163.11183	10.0
163.14882	5.8
165.12744	3.8
169.10149	5.2
169.12263	12.9
170.10951	3.2
171.11649	12.0
173.09641	7.6
173.13248	15.1
175.07570	4.4
175.11177	9.3
175.14830	9.0
177.09198	3.0
177.12668	3.3
177.16415	10.5
179.10666	7.2
181.12215	3.1
185.13293	5.6
187.11234	8.1
187.14804	13.8
189.09157	2.9
189.12769	9.9
189.16360	12.2
191.14571	2.3
191.17917	6.7
195.11792	3.2
197.13341	6.0
199.14900	5.6
201.12807	5.0
201.16417	7.7
203.10670	3.3
203.14366	6.7
203.17950	4.6
205.12279	2.5
205.15913	5.8
205.19498	2.7
211.14954	3.9
213.16412	3.4
215.14334	5.8
215.17967	6.3
217.12352	3.6
217.15894	11.5
219.17451	2.8
221.15366	4.0
227.14351	5.0
227.17982	3.2
229.15898	7.8
231.13858	5.9
231.17346	3.8
233.15332	11.9
235.16917	3.5
239.17993	3.5
243.13791	6.8
243.17494	2.6
243.21147	6.2
244.14259	3.8
245.15416	9.5
245.18973	2.8
247.16924	5.0
249.15016	3.9
253.19710	3.7
255.13768	3.0
261.15204	2.4
271.20630	5.8
273.14944	5.4
275.19968	4.3
289.21564	10.6
295.20328	3.2
299.20029	5.3
317.21234	11.5
317.24432	3.3
319.22693	6.6
321.16867	4.8
327.26810	17.1
333.16922	4.1
377.32266	3.3
383.25711	4.3
399.32416	3.8
405.31509	10.0
423.32492	14.8
433.31042	11.9
434.31061	3.4
435.32532	3.3
451.32071	69.8
452.32419	7.8
453.33478	5.7
453.53534	2.7
469.33142	41.0
470.33655	4.8
483.34430	4.7
485.32504	12.5
486.32651	3.0
493.33246	4.4
495.34769	3.9
499.33817	2.7
511.34271	14.8
512.34540	11.1
529.35022	54.0
530.35498	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	530.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	0.9
69.03426	0.8
69.07063	1.0
70.06598	7.7
70.48869	0.4
70.60339	0.8
70.60693	0.7
70.70674	0.5
71.05001	0.7
72.08163	1.5
78.04699	1.0
79.05537	0.6
81.07043	0.5
84.04507	2.3
84.08136	2.1
85.02916	2.0
86.09209	1.0
86.09712	15.1
91.05486	1.0
94.04192	1.7
97.02896	0.5
98.97575	1.6
102.05526	1.4
103.05486	0.6
106.04188	1.5
110.07201	0.5
112.08726	0.5
115.08685	1.0
116.07101	1.0
116.98621	1.2
119.04953	0.7
121.06504	1.0
122.03642	4.6
123.04435	3.3
124.05225	1.3
129.06601	1.5
129.10231	1.2
131.04930	0.6
137.05981	100.0
138.06293	3.1
149.05972	0.8
151.03896	0.9
151.07558	0.6
152.04681	1.9
153.05551	0.5
153.07114	0.5
156.11392	0.7
158.09258	1.3
161.05995	1.5
163.02763	0.6
163.07533	1.1
165.05542	0.6
165.06973	1.7
167.07045	97.0
168.07375	2.6
170.11809	0.6
175.11882	2.5
177.00764	0.7
179.07097	1.0
183.08038	1.5
187.02812	0.7
197.12901	1.0
198.78238	0.5
201.12480	0.6
205.03752	0.7
206.05035	0.5
211.07562	2.1
212.08417	0.5
215.13925	3.9
221.06070	0.7
225.09163	0.7
239.06978	0.7
243.10091	2.0
269.10437	0.5
271.09692	2.5
271.17648	0.9
275.12314	0.5
283.09705	2.7
303.12262	9.0
315.12329	6.6
333.13300	3.5
426.42386	0.5
512.31647	0.6
530.18823	2.9
530.32983	13.3
531.33374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36446	0.6
63.62010	0.7
64.14166	0.7
69.03436	1.5
69.26604	5.0
70.06596	10.7
72.08150	4.8
78.04699	1.1
79.05530	1.2
84.04502	1.3
84.08150	3.0
85.02907	3.3
86.09717	4.8
91.05479	1.8
94.04191	2.2
95.04989	1.0
97.02905	0.9
98.97609	0.9
99.04442	1.2
103.05494	2.0
106.04187	0.9
106.70921	0.7
119.04970	1.1
121.06499	1.2
122.03658	6.1
123.04430	4.5
124.05179	0.9
127.03867	0.8
129.10263	1.8
131.04912	1.4
137.05981	100.0
138.06331	2.4
147.04391	1.7
149.05971	1.6
151.07562	3.4
152.04646	1.4
153.05475	2.5
153.06868	1.2
155.08536	1.8
161.05962	1.7
163.07542	2.4
165.06920	3.4
167.07043	100.0
168.07375	2.9
171.14943	1.7
173.09224	0.9
179.07196	0.8
180.08719	1.4
183.08054	5.1
193.06429	0.8
199.14516	0.8
207.04411	1.8
211.07599	4.9
215.10698	0.9
225.09145	0.8
228.07780	1.2
237.02727	0.8
239.06961	1.6
243.10132	4.0
255.10231	1.0
271.09598	5.6
275.50415	0.7
283.09607	2.3
288.09854	1.8
303.12280	25.2
304.12604	2.2
315.12314	4.4
333.13409	1.6
469.28955	0.8
530.19012	1.5
530.32623	2.2
536.64520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.01871	5.4
57.03441	4.7
61.02927	6.1
67.18782	0.8
67.66429	0.8
68.99790	3.1
69.03429	38.1
70.06590	9.7
71.01327	1.1
71.05006	4.7
72.08147	1.1
73.02921	5.3
81.03419	23.1
85.02907	100.0
86.03229	1.0
86.09710	15.1
87.00829	48.4
91.03969	1.0
91.05472	0.9
93.04562	0.9
97.02891	32.6
98.03211	0.9
99.04449	11.4
101.02364	1.6
103.03937	1.3
105.01867	76.4
109.02880	28.9
115.03896	1.0
117.01875	2.5
120.08086	1.0
125.07087	1.4
127.03915	76.5
128.04269	1.5
129.01826	3.2
134.41008	0.9
137.05928	1.2
145.04961	25.5
147.02882	1.8
159.02892	9.5
185.09256	1.7
189.03960	3.5
196.06050	1.2
207.06558	1.0
211.08612	1.2
213.03925	3.1
213.08788	1.6
225.06763	1.7
231.04997	28.0
249.06000	8.2
253.09709	1.3
267.07819	1.1
284.16147	1.8
309.08865	0.9
326.17056	1.2
327.01755	3.2
327.09732	2.1
333.15295	0.9
337.08377	1.2
344.98938	1.7
345.02832	17.4
345.10580	1.2
362.99863	1.5
363.03860	3.5
443.44849	0.9
471.05493	1.0
530.26007	1.6
531.15967	1.6
531.28015	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	530.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28962	3.6
52.99637	3.4
53.03957	7.7
55.01884	27.8
55.05260	3.6
55.05514	16.7
57.03435	12.6
61.02932	11.3
65.03954	6.7
67.05499	32.1
69.03431	37.4
69.07073	7.1
71.01366	5.6
71.04993	92.2
71.05369	6.8
72.11161	3.7
73.02920	52.0
78.18252	3.8
79.01881	8.7
79.05496	49.2
81.03414	10.6
81.07057	21.6
83.04995	7.6
85.02910	52.2
85.06543	19.8
85.45165	3.8
86.99003	4.1
87.04461	10.4
91.05476	100.0
93.03390	9.1
93.07072	23.6
95.04968	13.7
95.08621	13.3
97.02906	37.8
97.06537	13.1
99.04416	4.8
103.05466	7.6
105.07037	54.1
107.04972	14.6
107.08591	16.2
109.02901	7.3
111.04449	12.3
111.08116	4.2
112.89617	3.5
115.03919	17.9
115.05479	14.4
116.06258	7.1
117.07017	39.9
119.08582	24.5
121.06527	17.1
127.03889	19.3
128.06232	12.7
129.07021	34.0
130.07831	5.8
131.04953	4.0
131.08565	55.3
133.04953	14.4
133.06514	10.7
133.10149	7.6
135.04391	3.8
135.08041	26.5
141.07002	16.2
142.07758	9.4
143.08574	10.1
145.04929	18.7
145.06494	16.8
145.10101	19.7
147.08105	9.5
147.11717	8.6
149.09648	16.9
153.06978	9.3
155.08563	15.1
157.10144	14.1
159.08038	24.9
159.11813	4.2
161.09637	7.6
163.06082	5.3
163.07436	4.6
171.08104	5.0
173.09613	19.6
173.13310	9.1
175.11162	27.4
177.09157	6.5
183.11696	8.9
191.10654	7.3
191.14372	6.7
201.12782	22.8
214.18042	14.0
219.13818	93.5
229.15231	4.2
241.06970	4.4
261.14828	6.6
530.34314	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	530.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81682	1.4
53.00312	2.7
53.03949	5.5
55.01879	11.1
55.05516	3.9
57.02990	1.5
57.03444	22.4
61.02934	16.3
65.03943	18.1
65.68725	1.5
67.05515	5.5
68.51952	1.5
69.03432	52.9
70.64313	4.0
71.01354	4.9
71.04999	55.2
73.02921	66.3
79.05492	20.5
81.03418	8.9
81.07062	6.7
83.05003	2.6
85.02906	100.0
87.04488	4.5
91.03941	2.4
91.04930	1.3
91.05480	35.8
92.65574	1.8
93.03410	90.3
93.07052	5.3
95.04961	9.1
97.02900	64.7
97.06528	3.1
99.04461	5.7
103.03940	4.9
103.05473	3.2
105.07024	14.4
107.04959	7.3
107.08611	4.9
109.02887	9.4
109.06512	1.7
111.04463	2.5
115.03937	28.4
115.05441	7.8
116.06242	3.6
117.07035	14.9
119.08624	4.0
121.06526	6.9
127.03921	31.3
128.06224	16.1
129.06999	19.7
130.07800	3.4
131.04953	5.6
131.08572	24.4
133.04964	32.6
133.06538	4.1
133.10071	1.6
135.04417	2.5
135.08121	8.2
136.66391	1.6
141.07028	12.9
142.07800	5.7
143.08569	7.8
144.69800	1.7
145.04974	34.6
145.06427	7.9
145.10135	8.1
147.08131	2.6
150.07640	2.8
153.06973	9.6
154.07758	2.8
155.08566	16.5
157.05048	2.4
157.06487	3.1
157.10135	6.5
158.07277	2.5
158.83734	1.7
159.08046	10.2
159.11627	2.0
163.06020	18.7
165.06993	4.0
167.08577	6.9
168.09377	4.2
169.06500	2.8
169.10175	2.9
171.08092	4.4
171.11732	2.5
172.12311	1.8
173.09636	9.1
178.07745	1.8
181.10114	2.1
183.08090	4.6
183.11626	1.8
185.09671	3.0
197.09622	4.1
199.11140	4.6
201.12741	33.9
202.13132	2.9
223.06030	7.1
227.10750	3.0
241.07111	12.3
259.08087	11.2
277.09186	2.7
295.10309	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	530.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01879	13.7
55.05514	17.9
56.66318	2.9
57.03434	15.0
61.02919	10.4
65.03935	5.6
66.24789	2.8
67.05500	24.0
68.99770	3.4
69.03423	24.5
69.07063	9.9
70.06589	4.3
71.01361	3.6
71.04990	24.7
73.02913	46.7
79.01846	7.7
79.05498	26.6
81.03412	9.9
81.07050	17.3
83.04968	10.1
85.02905	43.0
85.06544	10.3
91.05479	48.7
91.06003	4.1
93.07039	20.4
95.04980	7.9
95.08622	10.7
97.02902	33.6
97.06529	6.7
99.04458	4.0
100.11248	11.7
103.05511	4.1
105.04528	3.2
105.07020	23.3
107.04981	11.8
107.08610	13.1
109.02886	6.3
109.06519	7.6
111.04462	11.2
111.08087	6.8
112.28342	3.0
115.03934	13.8
115.05450	6.4
116.06310	3.2
116.10724	3.2
117.07011	20.9
119.04952	3.4
119.08582	11.7
121.06502	22.7
121.10140	4.4
123.08084	5.7
127.03924	13.0
129.06967	14.7
130.06619	3.3
131.08574	22.7
133.04953	14.4
133.06517	6.0
133.10126	8.0
135.08037	20.7
135.11665	3.0
141.06950	4.7
142.07738	3.8
143.08563	5.0
145.04955	14.7
145.06473	9.0
145.10147	12.4
147.08083	4.1
147.11771	2.7
148.36418	2.7
149.09630	3.8
150.07544	4.4
151.11124	2.8
153.01851	3.7
155.08568	5.3
157.10147	7.2
159.08051	8.6
161.09607	3.0
163.06200	2.6
163.07527	7.5
173.09618	9.4
175.11179	9.9
177.09039	3.9
182.15430	9.8
183.11711	3.6
197.48325	3.6
199.11203	3.5
201.12766	6.6
210.14873	3.5
217.12157	3.6
219.13809	43.2
229.84120	2.9
241.06909	3.7
244.08569	7.4
245.08911	6.5
261.14914	7.9
274.92627	3.1
281.04465	2.7
287.05478	27.3
288.05792	8.7
333.16959	3.0
351.18250	3.8
438.62955	2.9
486.27292	5.3
530.26379	17.3
530.33728	10.6
531.27771	6.0
531.35004	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05515	12.3
57.07065	6.0
67.05508	29.5
68.05817	2.6
69.07067	28.4
71.05004	2.5
74.34631	1.4
79.05499	21.0
80.05837	3.3
81.07060	48.3
82.07380	3.6
83.04994	1.7
83.08644	9.2
85.06544	1.9
87.04466	8.1
90.07008	1.7
91.05486	17.7
92.05815	2.3
93.07047	28.6
94.07392	3.2
95.04993	3.6
95.08607	54.3
96.08949	3.2
97.06533	3.1
97.10157	3.6
99.08073	1.7
103.05515	2.4
105.07038	17.7
106.07345	1.9
107.08590	31.5
108.08918	3.7
109.06505	7.7
109.09442	3.0
109.10155	37.1
110.10477	1.8
111.04463	1.5
111.08085	3.9
111.11729	10.9
117.07027	5.3
119.08576	24.2
121.06522	4.8
121.10140	36.6
122.10519	2.6
123.08080	4.3
123.11716	17.4
124.07092	1.4
125.09657	1.9
129.06947	2.4
131.08588	9.6
133.10136	23.1
134.10486	1.8
135.08018	8.0
135.11700	27.1
136.12013	2.7
137.05974	2.1
137.09613	4.8
137.13249	12.1
143.08582	5.2
145.10155	11.9
147.08075	9.8
147.11688	13.9
148.12074	1.6
149.09644	4.5
149.13309	11.2
151.11148	2.5
151.14859	2.5
156.09364	2.8
157.10159	8.5
159.08031	5.1
159.11694	12.4
161.09598	5.3
161.13185	6.9
163.07616	2.1
163.11208	3.6
163.14798	3.6
165.09142	2.1
167.10576	1.8
171.11763	7.6
173.09628	10.6
173.13283	11.1
174.13664	1.8
175.11238	4.0
175.14828	4.5
177.09154	4.9
177.16393	4.0
179.10646	1.9
183.11719	2.9
185.09706	2.3
185.13303	4.1
187.11172	9.3
187.14848	9.5
189.12737	4.3
189.16386	4.2
191.10689	6.2
191.17892	4.1
193.01015	1.6
195.11794	2.1
195.13799	2.0
197.13239	5.9
199.11147	2.0
199.14903	2.4
201.12740	4.2
201.16441	3.3
203.14354	2.6
203.17892	3.1
205.12213	4.1
205.15773	2.3
205.19461	7.8
210.14110	1.5
211.14784	2.8
213.12772	1.6
213.16364	5.6
215.14293	6.9
215.18076	1.7
217.15927	2.0
219.13820	3.1
219.17448	2.9
223.14713	1.6
224.45781	1.8
227.14188	2.6
229.15977	6.9
231.17346	2.2
233.15355	5.0
241.15862	4.3
245.18947	1.9
247.16930	4.7
249.18480	3.2
255.17325	2.0
259.17032	2.7
261.18573	3.3
269.19089	1.9
273.22141	5.4
283.20602	2.0
321.20724	2.7
325.21875	1.7
337.25308	2.4
371.25769	2.4
391.29556	1.6
393.31659	8.3
407.33139	6.5
411.32465	2.6
417.31277	2.5
425.33893	3.2
435.32654	19.3
436.33115	2.5
452.32669	3.5
453.33694	19.0
454.34106	2.4
471.34692	100.0
472.34970	8.1
495.34641	5.7
513.35748	36.8
514.35919	4.3
521.93634	1.6
530.38989	21.5
531.39551	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	530.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06760	1.3
54.49801	1.4
55.05506	6.1
57.07073	4.8
63.04924	1.4
63.47086	1.5
67.05515	12.7
68.94830	1.4
69.03421	2.0
69.07071	8.5
69.09823	11.2
70.07420	1.3
79.05494	8.2
81.07056	21.3
83.04967	1.8
83.08621	4.1
87.04476	13.5
91.05484	14.7
93.07049	17.6
95.04933	2.9
95.08617	25.5
96.08939	3.0
97.06551	1.9
97.10134	1.8
99.08105	1.9
105.04537	1.5
105.07033	10.0
107.08600	22.0
108.08925	2.3
109.06528	2.1
109.10154	21.1
110.10480	4.1
111.08064	3.2
115.05483	1.5
117.07016	3.3
119.08585	100.0
120.08926	2.6
121.06524	3.6
121.10151	20.5
122.10510	2.5
123.08085	3.0
123.11707	14.4
124.12035	1.8
125.05944	2.6
125.09617	1.6
131.08545	4.8
132.08936	2.3
133.06483	10.0
133.10129	16.2
134.10428	2.5
135.08057	3.3
135.11717	15.7
136.12050	1.9
137.09615	2.4
137.13266	4.6
139.07549	3.6
143.08565	5.2
145.10085	8.4
147.08020	3.2
147.11667	9.6
148.12024	2.4
149.09593	3.8
149.13248	6.4
151.07513	1.6
151.11174	1.9
157.10120	4.7
159.07996	2.0
159.11705	9.6
161.09645	2.0
161.13235	6.5
163.11206	2.8
163.14784	2.6
165.09103	1.8
165.12726	1.7
165.84036	1.6
167.14281	1.9
171.11684	4.4
173.13283	7.5
175.11165	4.2
175.14824	5.9
177.16431	3.2
183.11632	2.7
185.13219	4.6
187.11208	2.5
187.14789	6.7
188.15335	1.6
189.16370	10.8
190.13126	1.7
191.17999	3.8
197.13268	2.5
199.14787	4.4
201.12875	2.1
201.16357	3.7
203.14351	4.0
203.17995	4.9
205.15953	3.2
213.16400	2.6
215.14365	2.4
215.17972	2.4
217.15823	2.4
218.16316	1.9
231.17372	1.7
233.15410	11.6
243.17406	2.4
253.19553	1.8
266.11600	1.7
271.20590	4.9
285.22180	2.7
407.33420	7.8
417.31570	2.3
424.32825	3.0
435.32565	12.7
443.11597	2.2
452.32434	4.6
453.33694	18.4
467.35413	3.3
470.33426	4.9
495.34833	7.1
512.33673	3.5
513.35675	9.8
530.35156	13.8
531.37256	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05510	2.3
57.07074	1.1
59.93964	0.3
67.05511	3.3
69.07076	2.9
69.11688	1.9
69.12105	0.5
79.05499	2.8
81.07059	6.9
83.08632	1.2
91.05494	2.3
92.04993	0.4
93.07043	6.1
94.06591	0.4
95.04981	0.8
95.08608	11.5
96.08152	0.6
97.06529	0.6
97.10170	0.3
99.52643	0.3
105.07034	3.7
106.06583	0.5
107.08591	8.8
107.09271	0.5
108.08131	0.8
109.06530	0.4
109.10159	3.5
110.09711	0.4
111.08065	0.7
117.07021	0.6
119.08590	4.6
120.08133	0.7
121.08895	0.5
121.09239	0.5
121.10152	7.2
122.09678	2.1
122.10454	0.5
123.08046	0.3
123.11698	2.5
124.11253	0.6
126.09109	0.3
126.12842	0.3
127.09991	0.3
131.08592	1.9
133.10139	2.9
134.09631	2.0
135.11700	2.4
136.11205	0.7
137.09647	0.4
137.13245	1.6
138.09157	0.4
143.08595	0.7
145.10129	5.8
147.11674	2.8
148.11206	0.8
149.09647	0.6
149.13264	3.4
150.12662	1.3
151.14813	0.4
157.10133	0.4
159.11720	2.0
160.11082	0.4
161.13295	1.3
162.12740	0.4
163.14882	0.6
166.08635	2.1
167.14313	0.4
169.10173	0.4
171.11714	0.9
172.12404	0.6
173.09642	0.3
173.13298	1.0
175.11337	0.5
175.14848	0.7
176.14359	0.5
177.09132	0.5
177.16402	0.6
178.08696	0.4
183.11768	0.6
185.13318	0.7
187.11253	0.3
187.14842	6.2
189.16437	1.3
191.18074	0.9
197.13148	0.3
199.14841	0.4
201.16444	1.2
204.17477	0.6
205.15839	0.4
206.19006	0.3
213.12656	0.4
219.35883	0.3
220.20624	0.6
222.18503	0.6
232.20763	0.3
233.15443	0.6
244.20743	0.6
247.16824	0.4
258.22153	1.9
260.23785	0.5
272.23776	0.4
273.24680	0.4
284.20499	0.3
284.23837	0.3
286.25397	0.4
302.21136	0.5
314.21017	0.4
316.22876	0.8
330.24536	0.6
332.26016	0.5
354.31534	0.4
374.23248	2.3
388.24936	0.8
408.36111	0.9
426.37347	0.6
435.32703	0.8
452.35480	2.4
454.36676	0.5
468.38382	2.9
470.36453	3.5
471.36505	0.3
485.36603	0.3
498.35608	0.4
502.35886	0.3
512.37500	3.8
513.37244	0.4
530.38440	100.0
531.38788	10.2
538.10168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.9
55.01880	5.9
55.05514	25.5
57.07071	19.7
58.74852	4.9
65.42412	4.5
67.05511	46.9
69.03439	7.6
69.07071	49.7
69.19441	16.7
69.19867	23.4
70.52518	4.6
71.04974	6.9
72.89172	4.6
79.05511	36.2
80.05857	6.2
81.07062	83.0
82.07436	8.7
83.04987	9.4
83.08617	9.8
84.81115	4.3
85.06551	6.9
87.04488	29.6
91.05459	29.4
92.05845	5.1
93.07043	64.3
94.07346	6.8
95.04966	15.2
95.08614	100.0
96.08926	6.7
97.06506	12.0
99.08103	4.8
105.07030	49.0
107.08592	78.8
108.08941	8.5
109.06519	10.1
109.10173	68.0
110.10500	7.6
111.08065	9.2
111.11744	7.5
117.07014	13.1
119.08574	74.3
120.08918	8.6
121.06507	21.7
121.10144	89.6
122.10426	6.6
123.08072	20.4
123.11713	40.4
125.06033	6.8
125.09621	5.2
131.08574	28.7
133.10150	61.9
134.10460	7.1
135.08078	17.7
135.11687	40.0
136.11992	7.7
137.09587	10.9
137.13234	9.8
139.07549	14.7
143.08531	8.8
145.10130	41.2
146.10437	6.2
147.08060	8.8
147.11659	35.2
149.09642	8.7
149.13281	24.6
151.11166	5.7
155.08531	5.3
157.10129	22.0
158.10567	5.9
159.11729	31.2
160.12074	9.0
161.09651	6.5
161.13284	25.5
163.07532	7.3
163.11201	7.7
163.14839	13.3
167.10693	6.7
169.10110	7.7
171.11665	16.0
173.09628	11.0
173.13252	31.1
174.13615	5.3
175.11244	7.4
175.14828	21.3
177.09155	7.1
177.16469	6.1
179.14281	6.1
181.12245	7.3
183.11720	6.6
185.13271	10.9
187.14844	28.9
189.12744	8.9
189.16452	41.7
191.10689	6.8
191.14334	6.2
191.18015	15.0
197.13280	7.9
199.14851	7.1
200.15060	5.8
201.12717	6.1
201.16431	11.2
203.17957	8.6
205.15799	8.4
215.14363	9.0
215.17934	5.8
217.15977	7.2
223.14674	5.6
231.13792	6.3
233.15382	28.2
239.17729	7.4
249.18555	7.8
253.19516	7.0
271.20578	10.9
281.19125	5.9
317.17480	5.8
318.17999	13.9
325.25342	5.5
338.30991	5.7
359.22037	11.3
407.33603	6.1
435.32669	28.7
452.32361	11.5
453.33618	31.9
470.33231	21.5
471.34567	11.8
486.32864	7.7
495.34851	45.8
496.35019	6.8
512.34589	35.0
513.36084	40.7
530.35553	22.3
531.37469	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.0
57.07069	12.0
67.05505	48.0
68.56068	6.9
69.07065	52.6
69.22629	51.2
79.05494	29.6
81.07062	84.2
83.05000	14.7
83.08630	17.9
87.04469	63.0
91.05481	29.0
93.07055	52.4
95.04961	10.9
95.08602	100.0
97.06558	8.9
97.10162	7.9
105.07037	25.8
107.08607	68.9
109.06551	8.7
109.10162	58.9
111.08053	10.3
111.11732	18.5
113.16286	7.5
117.07003	13.3
119.08566	40.3
121.06509	9.3
121.10152	56.7
123.08076	9.2
123.11692	40.1
131.08607	20.2
133.10152	44.3
135.11687	33.6
137.13258	24.7
145.10143	32.5
147.11682	21.0
149.13280	20.5
151.11162	20.5
151.14856	20.5
157.10065	18.9
159.08113	7.7
159.11667	30.2
161.13297	17.3
171.11671	13.9
173.13239	21.9
175.14825	18.3
177.12842	8.5
177.16397	12.3
183.11723	13.9
185.13301	13.5
187.14807	21.2
189.16400	16.2
191.17957	8.9
196.12444	7.8
197.13335	9.6
201.16412	14.6
205.19473	9.2
215.17958	10.0
217.15802	9.6
219.17493	12.3
226.89282	8.2
237.16400	10.5
257.15411	12.5
267.21332	8.8
272.17758	7.4
279.21191	9.3
301.06076	7.5
315.23245	15.7
370.34015	8.2
407.33038	13.9
415.22623	7.3
417.31671	12.7
422.20810	8.1
425.33908	14.7
435.32654	85.1
437.34457	14.3
453.33688	93.0
454.33878	11.2
513.35382	20.8
530.38458	13.3
531.40472	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	530.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.2
55.29601	3.5
57.03447	17.0
57.07074	37.4
58.14198	3.7
67.05508	62.9
68.95946	3.3
69.03408	32.4
69.07066	24.3
71.05000	3.9
71.08639	23.8
79.05499	21.2
81.07064	97.7
83.08633	13.2
85.06558	11.0
85.10174	11.0
87.04485	36.1
91.05492	11.4
93.07053	15.4
95.08614	86.0
97.06544	4.6
97.10172	7.1
99.08052	5.4
105.00115	12.8
105.07030	11.6
107.08634	13.1
109.10169	16.7
119.08588	8.9
121.10164	8.8
123.11698	5.7
131.08646	4.1
133.10155	3.9
135.11743	4.3
147.11700	11.0
149.13258	5.8
165.12723	8.7
179.60724	3.5
183.13937	4.5
239.23683	5.6
254.38657	3.6
257.17514	100.0
258.17969	4.1
313.27341	87.3
314.27673	3.9
368.31754	6.8
495.40491	59.6
531.40381	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	531.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86492	2.5
53.36672	2.3
55.05510	10.3
57.07071	6.2
64.40497	2.8
67.05519	18.1
69.07082	13.7
71.05006	3.9
77.05185	2.7
79.05501	6.6
81.07060	28.6
83.08616	7.5
88.07626	2.9
91.05476	12.0
93.07049	25.3
95.04939	5.5
95.08617	37.8
97.06506	3.7
98.22643	8.7
105.00097	3.7
105.07045	17.5
107.08607	34.5
109.10161	25.3
111.08083	4.3
117.07010	5.2
119.08589	37.1
121.10159	34.3
122.10461	4.2
123.08086	6.1
123.11708	20.5
125.09653	3.4
129.07027	2.9
131.08556	9.8
133.10146	25.4
135.08064	7.8
135.11688	21.5
137.09593	6.8
137.13237	7.6
139.11147	3.4
143.08466	6.6
145.10150	16.4
147.11700	17.0
149.09622	6.4
149.13274	10.1
151.11131	4.9
157.10133	8.6
159.11754	14.0
161.09648	8.1
161.13258	8.1
163.11226	4.4
163.14738	4.0
165.09143	3.5
167.14352	5.2
169.10075	3.3
171.11681	8.6
173.09648	3.5
173.13246	11.6
175.11197	5.0
175.14803	10.2
177.12717	3.8
181.12318	4.2
182.44359	2.9
185.13277	6.4
187.11299	2.7
187.14856	14.3
189.12830	4.1
189.16385	19.8
191.17975	7.8
195.13774	3.5
201.12775	3.5
201.16357	6.4
203.14301	3.7
203.17729	2.8
205.18051	5.9
206.18556	3.9
213.16270	3.1
215.14285	4.1
215.17950	3.3
222.18420	3.7
225.16272	3.3
227.17902	3.9
229.12146	4.1
233.15280	3.2
237.70290	2.7
249.18622	3.5
253.02904	3.0
256.26346	8.2
257.26590	9.1
407.32977	5.0
435.32364	6.8
453.33405	9.5
471.34879	5.0
485.36404	4.2
495.34076	4.8
513.36102	13.2
531.29132	100.0
531.37079	9.8
532.29657	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	531.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.5
57.03432	4.5
57.07062	8.6
67.05514	27.2
69.03432	4.0
69.07070	22.9
69.50797	4.9
69.51189	12.5
79.05498	12.1
81.07062	35.6
83.04974	3.1
83.08615	7.8
86.52374	2.5
91.05486	12.7
93.07041	22.9
95.04967	3.7
95.08620	49.4
97.06542	5.4
97.10175	3.6
98.23254	3.3
104.10741	8.5
105.07023	23.4
107.08617	32.0
109.06519	5.7
109.10164	32.8
110.10513	2.5
111.08058	15.3
111.11730	3.4
113.40278	2.7
117.07051	3.1
119.08593	31.4
121.06520	2.8
121.10154	33.6
123.08054	7.4
123.11727	19.0
125.05954	4.5
126.37269	2.7
129.07028	3.8
131.08557	10.7
133.10114	24.5
134.10492	3.7
135.08089	6.6
135.11716	24.3
137.09639	6.6
137.13251	7.2
139.11192	5.1
143.08577	6.2
145.10139	16.2
147.08031	2.8
147.11752	17.8
149.09602	6.2
149.13300	8.0
153.09126	3.1
157.10130	4.9
159.11713	14.1
161.09590	5.2
161.13231	11.2
163.11182	3.4
163.14824	7.0
165.12775	4.7
169.10117	5.2
171.11711	6.7
173.13272	7.3
175.07516	3.0
175.11194	4.2
175.14835	9.0
176.99287	25.5
177.16336	4.2
183.11710	3.4
185.13284	6.1
187.14787	11.0
189.12709	5.2
189.16397	19.2
191.17941	7.3
195.00322	45.8
199.14783	4.4
201.16377	6.1
203.17842	3.8
207.17517	3.4
213.16292	2.8
217.15833	3.8
231.13693	4.4
233.15305	4.9
249.71764	3.2
337.27322	11.5
435.32571	4.3
439.22348	5.6
453.33701	7.6
457.23404	3.0
471.34335	8.6
473.26361	5.5
513.25751	4.7
513.35254	17.8
531.27795	100.0
531.36353	6.1
532.27838	7.4
532.36127	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	531.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62749	0.3
69.03432	0.3
69.12772	0.4
69.13177	1.7
81.07042	0.4
91.05492	0.3
95.08607	0.4
105.07014	0.3
172.27911	0.2
190.19646	0.3
203.05270	15.8
204.05653	0.4
300.28009	0.3
321.27853	0.4
351.28687	14.4
352.29196	0.8
384.05887	0.3
514.80695	0.2
531.35052	100.0
532.35376	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	531.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06622	0.3
65.90869	0.3
68.40617	0.2
69.79173	1.1
80.65816	0.2
86.13896	0.2
97.02959	0.3
110.32146	0.3
121.57699	0.3
124.88345	0.3
146.70581	0.2
188.08055	0.3
203.05344	0.5
238.09489	0.3
258.00266	0.3
287.05527	3.5
288.05682	0.3
351.18549	0.5
351.28674	0.5
369.29971	0.4
385.19406	0.3
513.33728	0.6
531.35052	100.0
532.35370	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	532.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.05520	1.5
55.31768	0.5
56.05035	3.3
57.07085	4.8
59.18530	0.5
67.05497	3.5
69.07094	1.2
69.22391	3.7
71.08637	2.5
74.00672	1.3
79.05519	0.6
80.12096	0.4
81.07061	4.5
82.06609	0.7
82.07403	0.6
83.06129	1.8
83.08653	0.6
84.04511	74.6
85.02914	0.8
85.04031	1.0
85.10160	1.2
90.05600	0.6
91.05521	0.8
93.07066	1.9
95.08627	5.5
96.04474	0.7
97.06554	0.5
98.06073	1.4
101.01690	0.6
105.07047	1.5
107.06110	2.4
107.08617	2.2
108.04504	1.9
109.07643	2.5
109.10164	3.7
110.04813	0.5
113.03484	0.8
113.96057	0.5
116.07105	7.2
119.08575	2.8
120.01158	0.8
121.10163	2.8
122.10478	0.7
123.08060	0.7
123.11700	1.7
128.07100	0.6
129.01181	1.4
133.10146	2.6
135.05553	2.2
135.08061	0.7
135.11699	2.4
136.03954	2.3
137.09648	0.6
137.13290	0.5
138.00072	0.8
138.05461	0.5
139.03236	1.1
140.01631	0.8
143.08212	2.2
144.06567	100.0
145.06033	0.9
145.07001	0.8
145.10173	0.7
147.11726	1.1
149.03508	0.6
149.13283	0.7
154.05022	1.7
155.08208	0.6
156.01154	1.0
157.00694	0.6
157.10139	0.9
159.11731	1.2
161.03854	1.2
161.13309	1.0
165.01221	1.3
165.99628	0.6
167.08180	4.2
168.06551	0.6
169.09756	3.9
171.11668	0.9
173.13344	0.7
175.01807	1.0
175.14824	0.7
181.06149	0.7
183.07675	1.0
183.17488	1.2
184.00639	1.5
189.03276	1.1
189.16351	1.2
190.01677	0.7
195.02354	0.7
195.07664	12.3
196.08305	0.5
197.09317	1.7
199.05379	1.5
200.20142	0.7
207.04369	3.3
209.05585	0.5
213.03275	0.7
213.08733	2.1
217.15814	0.5
218.79053	0.5
225.03278	1.2
227.04738	0.9
227.06689	2.4
243.04482	2.5
252.19627	1.4
255.04259	1.1
261.05322	1.4
272.07050	0.7
272.12265	0.5
273.05426	8.6
284.12344	3.7
288.10019	1.4
314.08179	1.1
318.07504	1.7
323.23395	0.6
332.09161	9.9
350.10150	8.6
377.36160	0.6
397.19693	0.6
454.30508	0.9
466.29102	0.7
472.31705	0.6
532.33099	1.2
550.30127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01878	30.3
55.05508	23.3
57.03440	16.3
61.02931	18.4
65.03931	13.7
66.04177	3.0
67.05509	62.2
69.03082	4.7
69.03436	69.5
69.07072	10.9
71.01351	8.0
71.04996	61.1
73.02924	88.4
79.05492	25.0
79.77750	3.4
81.03416	17.0
81.07068	26.7
82.34444	2.8
83.04992	24.6
85.02430	5.5
85.02912	80.0
85.06542	6.5
87.04458	7.3
91.05487	59.3
93.03412	39.9
93.07054	35.2
95.04987	17.2
95.08047	5.8
95.08612	69.1
97.02904	54.5
97.06512	8.6
99.04470	7.1
103.05452	5.4
105.07037	33.9
107.04946	9.3
107.08587	15.5
109.02886	9.4
109.06518	6.0
109.10173	36.7
111.04437	7.3
111.08092	53.3
115.03927	25.5
115.05480	3.6
117.07007	11.9
119.07774	5.1
119.08588	65.1
121.06506	38.4
123.08064	4.7
125.05987	5.2
125.09636	9.0
127.03915	24.9
128.06245	11.4
129.07027	15.1
131.04878	4.6
131.08574	14.1
133.04941	25.4
133.10141	13.5
135.08070	9.8
137.09631	86.9
142.07780	5.7
143.08566	15.4
145.04951	27.4
145.06464	4.6
145.10112	10.3
147.08064	17.0
147.11699	4.6
149.09647	4.2
155.10674	100.0
157.10156	4.8
159.11700	5.4
161.09618	6.8
161.13243	5.8
163.05991	12.2
163.11143	6.7
167.08580	4.0
171.08063	4.0
175.11256	4.4
185.09604	4.5
191.14360	4.9
203.14397	3.9
221.15401	30.1
245.15404	4.0
259.08221	6.0
271.06049	11.4
313.34631	3.3
360.81235	3.6
534.95917	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	532.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96740	2.4
53.03942	7.9
55.01869	26.4
55.05513	16.9
57.03437	20.8
59.04993	3.9
61.02916	11.4
65.03930	15.3
67.05506	54.1
69.03429	47.2
69.07062	6.8
71.01328	4.4
71.04993	62.1
71.31852	3.9
73.02917	75.7
78.64797	2.7
79.05501	23.1
79.96556	2.5
81.03416	11.6
81.07066	21.5
83.04974	17.5
85.02907	77.7
85.06551	6.8
86.01163	2.5
87.04462	8.2
91.05482	55.4
92.30803	2.5
93.03406	36.0
93.07042	29.8
95.04989	13.6
95.08608	71.0
97.02893	52.4
97.06570	5.2
99.04436	5.7
99.08080	4.7
103.05468	6.8
105.03382	3.4
105.07039	27.6
107.04996	6.4
107.08579	9.8
109.02880	8.5
109.10157	25.6
111.08080	42.2
115.03920	20.5
115.05454	4.4
117.07020	17.7
119.04951	4.9
119.08579	51.9
119.66067	2.8
121.06500	37.9
121.10166	3.5
125.09665	5.5
127.03925	18.3
128.06194	9.5
129.07053	18.4
131.04970	4.7
131.08565	13.1
133.04941	18.6
133.06451	5.6
133.10139	11.0
133.44580	3.1
135.08067	4.0
137.05977	4.2
137.09622	84.5
141.07048	2.8
142.07765	5.5
143.08589	15.5
145.04955	24.4
145.06458	7.4
145.10123	6.3
147.08076	12.3
147.11633	4.0
149.09642	4.7
150.07596	3.0
151.03906	3.5
155.10672	100.0
156.09305	3.9
157.10143	10.4
159.08098	2.8
159.11719	4.7
161.09566	6.9
161.13245	4.2
163.06010	6.2
167.07048	5.6
171.08098	5.0
171.11549	3.7
175.11261	2.8
177.83543	2.9
185.13286	4.9
187.07394	2.9
194.27303	2.7
203.14343	6.4
219.68561	2.6
221.15332	36.6
241.07144	4.9
245.15346	7.7
259.08206	6.7
454.45538	2.4
485.21426	3.3
532.18896	2.8
533.19928	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	532.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	34.3
57.07075	28.1
60.04536	29.3
64.06575	15.3
67.05496	73.1
69.07084	46.5
71.08627	27.9
73.92509	14.7
79.05502	34.4
81.07066	83.4
82.06570	18.7
83.08635	18.1
86.61951	18.6
91.05486	66.3
93.07068	63.7
95.08617	100.0
105.00116	50.8
105.07033	35.4
107.08601	36.0
109.06563	28.6
109.10174	55.9
110.09538	15.3
111.08084	22.1
111.11759	23.8
117.06999	41.8
119.08613	56.4
121.10140	55.4
123.11749	24.3
131.08577	54.3
133.10110	35.6
135.08133	15.3
135.11714	26.6
143.08551	15.5
145.10149	27.1
149.09650	29.7
159.11736	22.6
163.14795	16.4
171.11647	19.2
187.15042	16.1
215.83084	15.8
238.39264	15.4
260.23807	30.4
261.22079	22.0
278.24667	32.9
281.22003	15.0
303.19614	61.5
343.75656	14.9
437.34055	23.2
455.28827	15.8
455.35284	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.4
57.07072	21.4
67.05528	26.2
69.07093	9.2
69.53862	9.0
69.94047	32.8
71.08614	11.1
79.05511	16.1
81.07072	34.9
83.08665	12.4
95.08627	38.3
104.06873	8.7
105.00101	19.0
107.08647	23.0
109.10155	100.0
110.10188	8.9
111.08065	75.8
114.61840	10.1
119.08619	11.1
120.44998	10.2
121.10125	15.6
123.08101	50.3
123.11710	17.7
127.11202	28.6
150.98627	8.9
181.12325	9.4
191.97293	9.8
210.51164	9.7
239.96147	10.0
259.15442	13.9
275.23624	43.8
313.27530	11.5
515.36310	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	533.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.3
56.96571	3.3
57.03450	6.9
61.02927	5.9
62.07518	1.1
63.53738	1.2
69.03433	17.7
69.12640	1.1
70.13412	3.9
72.07517	1.1
73.02927	10.4
74.06062	1.1
81.03412	3.3
81.11755	1.1
83.98692	1.0
84.96059	1.4
85.02909	35.5
87.04501	2.1
91.03934	1.5
95.00716	1.1
97.02889	12.9
98.96938	1.6
98.97581	22.9
99.04449	2.9
100.99120	1.5
101.00761	1.2
109.02872	2.7
110.01302	4.1
110.97540	7.6
116.98624	6.1
119.01804	8.0
125.01793	2.2
127.03915	15.9
128.02304	2.3
128.98616	4.6
131.01788	2.5
137.01791	1.8
140.02341	4.3
140.98584	1.6
143.00192	2.1
143.01776	1.6
145.04982	7.4
146.02347	5.7
146.99673	2.3
152.02280	5.8
155.02850	6.4
158.99651	18.7
161.01303	2.4
161.02832	6.1
166.53613	1.2
170.03464	2.6
170.99648	11.1
173.02916	2.5
173.04593	1.2
177.00711	11.3
182.03352	12.8
182.99657	4.6
189.00725	9.6
190.98676	2.4
191.03905	38.1
191.54036	3.7
192.03815	1.0
200.04416	38.9
200.54642	2.6
201.00719	10.3
208.99687	2.3
209.04922	3.0
213.00697	1.6
219.01781	15.6
231.01816	3.4
232.99615	3.4
237.02754	2.2
243.01814	5.8
243.55304	1.2
249.02832	3.5
251.00885	1.5
261.02820	13.8
263.05884	2.0
272.06540	31.5
272.56796	6.3
273.02924	2.4
279.03848	10.9
281.07062	100.0
281.57199	15.9
289.43216	1.1
291.03934	2.0
300.65546	1.2
321.05014	3.6
353.03940	3.4
362.09747	19.0
362.59921	1.4
399.08072	1.9
441.09009	6.9
533.12683	40.2
534.13696	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88672	1.8
70.07381	6.8
73.38017	2.5
86.09720	5.9
98.97614	4.6
107.26968	1.8
116.04118	2.1
132.10260	2.5
142.34509	1.9
188.28726	2.2
214.47336	2.2
219.01743	3.3
231.47847	2.0
237.02795	2.9
238.65105	2.1
285.09067	1.9
342.92355	2.0
515.17444	2.3
533.12708	100.0
534.13055	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	533.1478
Annotation	Trichotomine
Peak:m/z	Relative Intensity
69.24476	0.7
69.24883	1.8
70.06592	0.4
84.08158	1.2
84.85862	0.3
86.09743	0.9
95.01099	0.4
97.02679	1.0
98.22587	0.7
98.97636	0.8
104.79340	0.4
111.75131	0.3
113.02102	0.6
121.01414	0.4
125.02167	0.4
129.10211	0.5
133.40556	0.3
141.05231	0.4
157.04713	0.6
169.04770	1.2
185.04245	2.8
193.01135	1.1
194.01932	0.8
207.02664	2.8
208.03447	15.0
209.04237	3.9
221.05035	0.4
226.04745	0.4
278.02231	0.4
295.24591	0.5
303.04910	0.8
321.05847	0.5
325.09015	0.5
339.06821	1.3
340.07834	0.9
341.08466	0.5
370.08804	0.7
371.09512	24.1
372.09866	1.0
458.96320	0.4
533.14740	100.0
534.15155	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	533.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
56.06780	0.6
64.21336	0.5
65.03976	0.8
67.05506	1.0
69.03419	0.9
70.06598	1.7
71.31144	0.6
71.31498	0.9
72.08165	0.7
79.05482	1.5
81.03407	1.4
81.07030	0.9
83.04976	1.2
83.88406	0.5
85.02897	2.1
89.03925	2.6
89.41431	0.6
91.05476	6.5
93.07023	1.6
95.04967	1.7
95.08628	0.9
102.04680	5.9
103.05466	2.5
105.03392	1.8
105.07027	10.0
107.04944	2.5
109.02856	1.0
109.10149	0.9
111.04466	1.0
115.05455	1.9
117.03381	3.0
117.07024	1.1
118.04166	1.9
119.04930	6.3
119.08575	1.6
121.06484	2.7
122.03614	1.0
127.03943	0.9
130.04146	20.7
131.04953	4.5
131.08589	1.1
133.02847	7.9
133.06500	5.9
133.10139	0.7
135.04379	4.9
137.05977	16.0
143.06061	1.1
143.08578	0.9
145.02818	2.2
145.10138	1.2
146.03625	8.6
147.04410	32.6
147.11655	1.2
148.04886	0.7
149.05988	14.0
150.06772	14.6
151.03926	1.2
151.07484	0.8
159.04436	2.4
159.11760	1.1
161.02383	1.5
161.05981	30.0
161.13269	0.6
162.06763	100.0
163.03900	5.8
163.07170	3.8
165.09085	0.6
167.07028	6.7
175.07597	2.1
177.05466	14.3
178.06264	4.3
179.07065	1.1
179.08611	0.9
180.07706	0.7
187.03893	5.3
187.07521	1.3
191.06926	1.0
192.07784	0.6
193.08484	1.4
199.03983	1.4
199.07489	0.6
203.08714	0.6
203.14388	0.7
207.08083	1.4
217.04890	1.4
218.07228	0.9
235.07486	2.5
237.09146	0.6
257.04477	4.8
259.07559	0.8
262.06049	0.8
263.06995	2.0
265.08554	1.0
267.10074	1.0
281.08258	0.7
285.03979	1.7
291.06497	2.9
293.07950	1.0
295.09717	1.9
305.08347	0.6
311.09219	5.1
323.09125	47.3
324.09485	2.1
341.10205	40.3
342.10526	1.5
353.13742	1.1
431.88870	0.7
467.27896	0.6
515.15466	1.0
515.29626	0.9
533.15619	2.6
533.28918	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1658
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
53.03952	0.1
55.01874	0.1
57.07092	0.6
62.93045	0.1
65.56293	0.1
67.01878	0.6
67.05513	0.4
68.99783	0.5
69.03426	0.2
69.07070	0.3
69.13953	0.1
69.15430	0.2
69.15833	0.6
77.21719	0.1
79.05491	0.2
81.03414	0.3
81.07047	0.4
83.08605	0.2
85.02906	0.4
85.06546	0.2
87.00816	0.1
89.03913	0.1
91.05501	0.2
93.07035	0.3
95.04994	0.1
95.08595	0.6
97.02901	0.3
99.04483	0.2
105.07028	0.4
107.04958	0.1
107.08586	0.4
109.02905	0.3
109.10157	0.4
111.04437	0.2
117.03386	0.3
119.08606	0.3
121.10184	0.2
123.11736	0.2
127.03904	0.4
129.01843	0.2
129.06924	0.1
131.08577	0.2
133.10136	0.4
135.04419	1.6
135.08113	0.2
137.02394	0.6
137.03249	0.1
137.05939	0.2
137.09613	0.1
145.04982	0.2
145.10106	0.2
147.08112	0.1
147.11690	0.2
149.02353	0.6
150.02699	0.2
151.07602	0.1
153.01833	5.2
157.06525	0.1
159.11720	0.1
161.02367	0.7
171.02939	0.7
179.03426	0.4
183.11739	0.1
187.14758	0.1
191.06892	0.1
193.04985	0.2
203.14362	0.4
205.10149	0.3
213.05478	0.2
229.10690	0.3
231.13539	0.1
241.04974	0.6
245.04388	0.2
257.04535	0.2
263.05588	0.2
269.04340	0.5
286.04684	0.1
287.05502	100.0
288.05853	4.2
407.28232	0.1
409.30936	0.2
422.76541	0.1
423.28806	0.3
453.30087	0.2
471.31024	0.1
515.15161	0.1
532.35529	0.1
533.15961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
55.01877	0.5
65.47595	0.4
67.05507	0.7
69.03431	0.7
69.07063	0.6
70.06591	0.4
70.25729	1.0
72.08152	0.4
73.02911	0.4
79.05493	0.8
81.03428	0.7
81.07063	0.9
83.04974	0.5
85.02911	1.9
86.09696	0.7
89.03918	0.4
91.05478	0.5
93.07051	1.2
95.04974	1.2
95.08604	0.4
97.02869	0.8
103.99987	0.4
105.03410	0.4
105.07057	0.8
107.04966	0.5
107.08581	0.7
109.02892	0.5
109.06525	0.4
109.10204	0.4
110.86315	0.3
111.00573	3.2
111.08067	0.5
117.03407	0.5
119.08558	0.7
121.10125	0.7
123.04415	0.6
123.11730	0.6
125.05975	0.7
133.02869	1.3
135.04408	1.2
135.08040	0.6
136.07649	0.4
137.05954	0.6
145.02873	0.7
147.04359	0.6
147.11745	0.4
151.03867	0.5
161.02417	0.4
161.04465	0.6
163.03894	6.0
163.05156	0.4
173.13161	0.4
175.11133	0.6
179.03448	0.5
187.06081	0.5
189.12817	0.4
191.14337	1.1
193.12204	0.5
195.06308	0.7
195.11966	0.5
207.13675	0.3
209.07823	0.4
209.15338	0.4
211.13326	0.4
221.08099	0.4
221.11432	3.3
241.04956	0.5
247.13129	1.1
249.05428	0.5
263.12573	1.6
265.14120	0.9
267.06534	0.8
267.12109	0.8
269.04538	0.7
291.12039	0.4
293.13733	1.0
295.06003	0.5
307.15311	0.5
309.13080	5.6
327.13925	0.7
341.06567	9.1
342.06860	0.6
347.14755	1.3
349.12436	0.5
351.14136	2.8
365.15759	0.6
367.13715	1.3
369.15265	0.8
381.15396	1.2
383.16812	0.8
393.15100	0.5
399.16330	3.2
409.14575	4.1
411.16165	0.5
421.40845	0.5
427.15717	9.2
428.15649	0.5
435.16183	2.4
437.13922	0.8
453.17276	4.2
455.15256	1.5
471.18573	2.7
473.16232	1.2
489.19586	1.5
497.16263	3.5
498.16113	0.6
515.17371	21.0
516.17462	2.2
533.18372	100.0
534.18604	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	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01867	1.4
55.05519	0.9
67.05495	2.5
69.03420	1.6
69.07058	1.3
70.06574	1.8
71.04994	1.0
71.31654	0.8
78.04718	3.2
79.05495	8.6
81.03421	0.9
81.07054	3.7
85.02898	2.9
86.09700	1.0
91.05472	7.1
93.03375	0.9
93.07046	3.0
94.04195	0.7
95.04972	2.2
95.08608	2.8
97.02905	0.9
97.06512	0.7
98.23253	0.6
102.04732	0.6
103.05470	3.7
103.96210	0.6
105.03379	0.7
105.04571	0.7
105.07040	11.0
106.04176	1.7
107.04959	13.2
107.08592	3.6
108.05244	0.6
109.02920	0.7
109.06533	1.0
109.10146	2.3
110.00437	0.6
115.05454	3.8
116.06268	0.8
117.07019	2.7
118.04153	1.5
119.04902	0.9
119.08575	8.5
121.06462	1.4
121.10139	1.7
123.04437	5.9
124.05202	3.6
125.06004	1.4
127.03898	0.9
128.06233	2.7
129.07025	6.3
130.04135	1.5
131.04918	4.5
131.08575	4.9
132.05736	2.1
133.06519	5.2
133.10141	3.5
135.04469	0.8
135.08051	1.5
135.11711	0.9
136.73517	0.8
137.05966	2.5
141.07002	1.6
142.07791	2.2
143.08534	4.2
144.05717	1.8
144.09291	0.8
145.06465	2.7
145.10118	8.5
146.07245	0.9
147.07980	3.4
147.11655	1.8
149.05994	1.7
149.09712	0.8
151.03931	1.7
151.07542	0.9
152.04691	2.1
153.05473	2.5
155.07106	0.8
155.08553	2.8
156.05705	1.5
156.09372	1.0
157.06473	1.1
157.10161	5.4
158.10904	0.8
159.08063	5.8
159.11691	3.7
160.05194	2.0
161.05981	10.4
161.09595	1.6
161.13272	2.1
163.04012	0.7
163.07585	1.2
163.11353	0.6
167.07043	100.0
168.07375	2.7
169.10124	2.1
170.10895	3.2
171.08057	1.0
171.11722	4.8
172.05191	1.9
173.13243	3.7
175.07553	22.4
175.11087	1.3
176.04689	0.9
177.05486	2.4
178.07771	1.5
179.07011	0.9
179.08548	1.1
181.04973	1.2
181.08655	1.0
181.10115	1.5
182.10953	0.8
183.11691	10.0
184.05206	1.2
185.13257	15.5
187.07542	20.0
187.11185	0.9
187.14784	7.3
189.07152	1.2
189.09109	2.7
189.12752	1.8
190.07773	2.3
191.07014	9.0
191.08513	1.1
191.14372	0.7
193.08658	0.8
195.11624	0.8
197.13234	2.4
199.07535	8.5
199.11305	0.9
199.14801	3.8
201.12640	1.5
201.16393	1.7
202.07849	1.5
203.08554	3.8
203.14310	5.2
205.06523	1.1
206.07245	1.6
207.08153	1.0
209.08095	2.0
209.13399	1.1
211.14825	2.4
213.16347	1.3
215.08521	1.8
217.06636	0.8
217.08577	1.9
217.15814	0.9
218.07246	2.5
219.08052	3.3
220.08772	0.7
221.09697	3.4
227.14253	1.0
227.18036	0.7
229.15843	0.7
231.08043	2.0
231.13770	1.1
232.08900	1.1
233.05913	0.7
233.09668	3.8
234.06723	1.8
235.07457	3.1
237.08856	0.6
246.06770	1.3
247.07559	2.0
248.08183	0.9
249.09062	5.8
250.09769	1.2
251.07056	1.8
259.07562	0.8
260.08215	1.8
261.09195	5.0
263.07202	0.8
263.10614	0.7
266.09290	1.3
275.07068	1.4
277.08536	2.9
278.09277	2.2
281.11758	6.9
289.08713	4.1
290.09348	1.5
291.06686	0.8
291.10071	1.4
293.11703	2.7
294.08948	1.3
306.08975	1.0
307.09576	0.7
309.11176	7.4
310.11633	0.8
311.09006	0.8
321.11224	8.7
322.11841	1.9
325.10730	1.0
325.14304	2.1
326.11514	2.5
341.13858	17.4
342.14066	1.4
353.13861	11.3
371.14923	1.7
371.27444	0.7
389.28531	0.8
403.26544	0.9
433.27225	1.4
449.26657	1.6
451.28406	2.3
453.29825	1.6
467.28134	3.6
471.31186	0.9
479.28036	1.0
485.29041	3.0
497.29065	2.3
515.29950	3.3
533.18939	3.2
533.31049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
54.14003	0.6
55.01880	3.7
55.05508	2.2
57.03442	8.1
57.07074	0.7
59.05020	0.6
60.46206	0.5
61.02646	0.9
61.02930	10.7
67.05504	2.9
69.03431	30.8
69.07070	9.4
69.13506	4.0
71.01356	0.6
71.04996	4.1
73.02929	3.7
79.05492	3.5
81.03419	13.4
81.07051	5.6
83.01324	0.9
83.04987	1.8
83.08611	1.5
85.02908	100.0
86.03236	1.2
87.04480	3.3
91.03945	4.8
91.05486	4.2
92.05785	0.5
93.07049	5.6
95.04974	7.3
95.08606	4.9
97.02898	35.5
97.06506	4.0
98.03244	0.7
98.23363	1.2
99.04464	6.7
101.02374	1.0
105.07043	5.6
107.04986	1.3
107.08598	7.4
109.02160	0.4
109.02877	10.2
109.06524	5.0
109.10162	2.3
111.04462	1.0
111.08067	1.2
113.05969	0.9
115.03939	0.7
119.08586	4.4
121.06486	3.9
121.10152	3.9
122.07305	4.3
123.08074	17.7
123.11720	1.4
124.07607	1.0
124.08430	0.7
127.03921	25.8
129.06958	0.7
131.08582	2.0
133.10124	5.7
135.08063	28.5
135.11690	3.9
136.08386	0.9
137.05980	0.9
137.09612	2.1
137.49165	0.6
139.07573	0.6
145.04961	36.7
145.10129	1.4
147.08081	0.7
147.11697	3.5
148.08890	0.8
149.09608	2.0
149.13237	1.0
159.11618	0.8
161.09589	0.9
161.13295	0.8
163.06024	6.8
163.14897	1.0
163.65654	0.6
165.12766	19.9
169.12256	0.9
171.06523	2.6
173.13284	1.5
175.11252	1.0
175.14850	3.0
176.11928	4.8
177.12775	0.9
189.07555	2.4
191.14313	83.2
192.14674	2.9
193.15907	9.0
194.16298	0.6
203.13997	0.5
207.13841	3.3
209.15378	11.1
210.15839	0.7
257.04260	0.6
271.05942	5.9
285.16068	0.8
325.11328	0.8
335.18478	0.7
353.19601	2.5
371.20703	7.3
533.18646	1.3
533.25946	18.5
534.26312	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.05516	7.6
56.78175	1.7
57.03448	2.3
65.03934	4.0
67.05516	12.8
69.03442	6.1
69.07069	9.5
69.31763	2.8
69.32168	7.0
70.06585	3.8
79.05491	20.8
79.05900	1.9
81.03400	3.8
81.07058	26.3
81.07822	1.8
83.04992	2.2
83.08643	4.3
85.02910	2.4
86.09705	2.2
91.05481	32.6
91.06010	2.8
93.07042	30.7
95.04971	6.1
95.08609	28.3
97.06544	2.6
103.05474	4.0
105.07031	59.0
107.04961	4.0
107.08595	31.6
109.06525	4.3
109.10165	13.6
111.08089	3.8
113.02387	2.4
115.05450	5.3
117.07034	23.4
119.06083	2.3
119.08582	53.0
120.08921	1.7
121.06511	5.9
121.10140	16.5
123.08070	3.2
123.11702	3.7
125.05989	3.3
127.03948	2.6
128.06209	12.5
129.07030	17.5
130.07823	2.7
131.04935	2.3
131.08563	57.1
133.06508	5.2
133.10132	34.8
135.08049	8.6
135.11710	10.0
137.05959	5.0
137.09607	3.4
139.07596	1.8
141.06976	8.1
142.07756	16.2
143.08554	54.6
144.09323	6.0
145.06503	5.2
145.10120	84.7
146.10457	3.4
147.08057	11.8
147.11688	20.3
149.06001	6.5
149.09615	1.8
149.13206	3.8
151.07596	3.3
153.05553	2.9
153.07085	2.1
154.07767	2.1
155.08521	22.4
156.09315	15.1
157.10126	53.9
158.10901	5.0
159.08067	7.5
159.11696	56.1
161.05986	4.2
161.09622	20.8
161.13257	18.6
163.07616	4.3
163.11226	3.6
163.14876	3.3
165.05672	1.7
165.07005	2.1
165.09138	1.7
166.07704	1.9
167.07159	1.6
167.08591	5.4
168.09369	9.3
169.10152	25.7
170.10861	9.8
171.08090	3.4
171.11703	44.4
172.08777	1.9
172.12207	1.8
173.09691	4.8
173.13258	58.1
174.13683	2.9
175.07552	4.1
175.11165	10.9
175.14780	8.7
177.09160	2.3
177.12790	7.3
179.08615	2.2
179.14220	2.4
181.10135	8.7
182.10928	4.9
183.11688	31.5
183.13141	2.5
184.12083	2.0
185.09732	8.7
185.13254	100.0
186.13680	5.1
187.07629	2.4
187.11197	11.1
187.14821	40.8
187.16544	2.1
188.15221	3.0
189.09125	3.7
189.12724	21.2
189.14151	2.4
189.16373	3.4
191.14290	16.1
193.10252	2.3
195.11655	11.5
197.08067	3.5
197.13232	25.1
199.11182	7.5
199.14821	43.2
200.15228	3.0
201.12732	24.9
201.16422	12.9
203.10609	9.9
203.14305	47.4
205.10350	1.7
205.12201	8.9
205.15880	2.9
207.11693	4.0
207.13611	2.8
209.13223	11.2
210.13997	2.1
211.11232	4.5
211.14822	15.8
213.12782	10.3
213.16443	5.1
215.10669	3.0
215.14270	14.5
215.17654	2.1
217.12340	8.0
217.15846	18.6
219.13805	25.8
221.13435	3.3
221.15471	5.0
223.14874	7.3
225.12762	4.1
225.16420	8.1
227.14296	3.5
227.17955	3.7
229.12251	6.1
229.15913	6.5
231.13843	13.3
233.13445	2.2
233.15445	6.8
235.13177	3.9
237.16472	3.8
239.17950	3.9
239.46080	1.7
243.13861	4.5
245.15419	9.1
247.17006	3.6
249.14690	4.7
251.12718	2.7
251.18071	3.0
257.15527	3.8
257.19229	1.7
261.14786	3.9
263.13589	1.5
263.16171	3.0
265.19510	2.6
271.17038	2.2
277.19635	3.6
307.24182	1.6
323.23605	3.3
325.25339	3.5
351.23022	2.2
369.24530	5.1
371.27222	2.7
375.26810	4.6
385.25296	4.1
387.26260	6.6
389.28363	5.7
397.25467	2.0
403.26352	11.1
405.27866	7.1
407.29568	2.9
415.26382	9.5
417.27631	2.8
421.27307	14.9
423.29007	4.4
431.25867	4.8
433.27362	23.7
435.28979	4.6
439.28387	7.2
442.39243	1.9
443.25449	3.0
449.26953	13.5
451.28424	22.5
452.28925	1.9
461.26700	8.3
467.27673	13.8
469.29468	16.2
471.31082	22.3
479.27942	11.2
485.28958	38.7
486.29163	3.3
487.30322	5.5
497.28964	9.0
503.29776	4.9
515.29974	22.3
516.30524	1.9
533.18909	3.6
533.31293	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	533.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01875	3.7
55.05517	19.8
57.07057	9.4
63.45438	3.8
67.05512	28.9
67.10109	3.0
69.04648	32.8
69.07067	39.4
70.49377	3.5
75.31844	2.8
78.56204	3.8
79.05498	19.6
81.07064	61.5
83.04983	5.3
83.08617	18.0
85.06554	7.8
89.28879	3.6
91.05478	20.0
93.07045	35.0
95.04979	4.3
95.08613	100.0
96.08968	5.2
97.06541	8.4
97.10162	10.3
99.04470	4.9
99.08135	4.5
105.07021	32.7
107.08590	51.0
109.06495	6.5
109.10151	60.6
110.10474	4.1
111.08070	6.5
111.11731	8.7
117.07065	3.9
119.08591	50.9
119.54308	3.6
120.08889	5.7
121.06506	15.2
121.10149	56.1
123.08060	11.6
123.11708	39.8
131.08554	14.1
133.10138	42.5
135.08080	7.1
135.11710	35.9
137.09674	10.3
137.13263	31.7
139.07527	7.5
140.07603	3.1
142.07782	3.9
143.08585	5.4
145.10139	24.9
147.08018	8.9
147.11713	30.4
149.09628	6.2
149.13264	12.2
151.11154	4.1
151.14830	18.3
153.09068	4.7
157.10185	8.3
159.11691	22.1
160.12086	3.5
161.09662	10.3
161.13240	18.9
163.07568	5.4
163.11162	7.2
163.14867	5.9
165.12741	7.4
169.10094	4.4
169.80013	3.5
171.11659	11.7
172.12207	4.1
173.13290	15.2
175.11235	6.1
175.14807	15.5
177.16423	9.4
179.10793	4.6
179.14279	4.7
179.17969	11.7
183.11703	5.6
185.13280	7.0
187.14880	19.9
189.12813	4.4
189.16438	38.3
190.16899	3.6
191.14339	4.5
191.18027	6.8
195.13661	3.4
197.13327	5.6
199.14725	7.5
201.16383	13.6
203.17981	6.8
205.15900	5.2
207.17407	6.2
209.13242	4.2
213.16327	6.1
215.17996	4.9
217.15800	3.7
219.13831	3.9
221.15411	12.9
227.17889	4.8
229.19769	4.3
241.19382	5.1
243.21027	4.6
247.16951	7.4
249.18416	28.0
252.98389	3.5
269.19113	3.9
299.23773	5.3
303.23331	3.9
409.34940	4.5
427.35663	14.3
437.34546	8.4
455.31143	5.4
471.34427	4.0
473.32059	6.6
497.36304	6.1
515.33563	4.5
533.32672	74.0
534.33221	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	533.3842
Annotation	Rubianol d
Peak:m/z	Relative Intensity
54.60051	2.7
55.05504	9.4
57.07064	6.2
60.80000	2.2
67.05513	13.9
69.05891	18.1
69.07076	11.1
79.05495	5.9
81.06732	1.9
81.07063	21.7
83.08619	7.2
85.06542	2.4
89.03919	5.3
91.05482	8.3
93.07046	17.9
95.08615	42.0
96.08949	2.5
97.10146	5.2
105.07031	14.4
107.08604	23.9
109.06471	2.9
109.10161	30.4
111.08075	3.1
111.11671	3.1
117.03382	17.3
119.08588	23.6
121.06475	2.9
121.10144	35.5
123.08062	2.2
123.11721	18.7
133.10126	16.3
135.08153	2.4
135.11687	17.9
137.13228	14.7
145.02849	45.6
145.10136	7.7
147.11713	11.6
148.64203	2.1
149.06013	4.6
149.13289	6.4
151.14816	4.0
153.09142	3.4
157.10045	2.7
159.11676	3.1
161.13266	9.0
163.11157	4.3
163.14862	2.6
165.12729	2.6
171.11736	3.7
173.13182	5.7
175.14865	6.4
176.15167	2.2
177.05478	100.0
178.05904	2.9
179.17960	3.9
181.12213	17.1
185.13249	3.3
187.14838	4.6
189.16396	20.0
190.16728	4.6
191.17989	4.0
195.00298	2.6
201.16376	3.8
203.17969	3.7
207.17494	12.7
215.18018	3.2
221.15396	2.9
225.18587	3.9
249.18532	13.7
303.23267	2.7
397.30365	2.8
409.34601	2.8
411.32797	2.9
427.35727	6.5
437.34174	6.9
455.35349	4.8
461.33783	2.6
473.30487	3.8
497.36096	4.9
515.37903	3.0
533.32593	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	18.3
59.95742	7.9
62.16595	9.4
67.05518	16.6
69.07070	31.7
69.28064	48.8
79.05481	10.5
81.07063	32.3
91.05480	14.4
93.07059	35.8
95.08608	82.2
97.10202	10.0
105.07040	37.4
107.08601	68.5
108.08869	8.6
109.06528	13.7
109.10180	53.9
117.70461	9.0
119.08601	50.9
121.10162	94.8
123.11718	57.8
133.10127	45.8
135.11688	41.8
137.13208	16.5
145.10158	18.3
146.19162	7.8
147.11716	26.0
149.13306	21.6
151.14813	9.3
161.13191	20.6
163.14824	23.3
165.12733	8.7
175.14879	19.1
177.16438	36.0
181.12277	20.3
183.13922	8.2
189.16440	27.9
191.17918	59.2
201.16473	17.5
203.17990	44.3
209.15468	10.5
217.19539	24.1
219.17433	9.1
237.18561	15.4
245.22411	11.6
368.79758	8.5
391.33804	17.7
409.34738	23.8
417.58865	9.9
426.80142	8.5
427.35754	100.0
469.36746	21.3
533.32391	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	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.8
57.07077	7.8
67.05506	21.5
69.07073	21.3
79.05487	7.9
81.07052	53.5
83.08624	15.6
91.05482	11.0
93.07055	16.6
95.08601	100.0
95.09156	7.1
97.10220	6.9
98.22610	16.4
105.07047	16.8
107.08580	38.5
109.10155	57.6
111.11743	6.5
119.08580	29.1
121.06521	14.2
121.10170	25.9
123.08021	7.5
123.11713	40.7
131.08524	5.9
133.10149	25.4
135.11708	27.9
137.13246	45.3
138.54581	4.8
145.10118	12.4
147.11722	17.5
149.13322	13.5
151.14813	28.8
157.10086	4.9
159.11716	10.2
161.09688	7.6
161.13297	15.1
163.14899	8.5
171.11736	4.9
173.13321	10.4
175.11203	5.3
175.14836	12.8
179.10927	5.1
179.17964	22.3
187.14821	14.6
189.16394	24.0
193.19530	5.4
199.14642	4.7
201.16489	6.0
207.13936	5.6
207.71812	4.2
221.15410	17.1
249.18483	50.1
283.23404	4.3
289.21536	5.1
303.23175	12.0
318.60593	5.6
409.34991	6.4
427.35638	24.4
427.81342	4.3
437.34140	22.5
438.34311	9.7
451.35876	4.9
455.35474	8.2
455.45444	5.1
487.37994	5.8
497.36185	14.0
533.25214	9.7
533.32605	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	533.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94987	6.7
55.05515	19.4
57.07065	5.5
67.05508	38.5
69.07072	40.8
71.08645	6.0
73.86221	5.1
79.05482	18.6
81.07056	56.8
83.08117	5.2
83.08622	18.5
91.05482	17.4
93.07024	34.3
95.05001	8.8
95.08610	96.6
98.23342	14.5
105.07030	33.7
107.08592	83.1
109.10160	55.8
119.08598	54.3
121.06528	5.5
121.10143	100.0
123.11738	31.5
126.21696	6.1
131.08615	7.2
132.08966	6.5
133.10139	39.2
135.08096	9.2
135.11716	59.2
137.13293	18.2
145.10120	19.9
147.11740	32.3
149.09708	12.0
149.13283	30.0
157.10155	9.7
159.11688	21.6
161.13336	15.7
163.14862	26.1
168.10733	6.4
171.11700	9.2
173.13271	13.5
175.14851	15.3
177.16447	13.9
181.12282	21.6
185.13219	6.1
187.14841	16.2
189.16394	25.0
191.17941	74.9
195.00316	7.1
203.18018	13.4
215.17921	7.8
219.17404	9.1
231.13837	6.0
235.16963	6.8
241.88469	5.9
277.74313	6.2
333.56445	5.5
375.70383	6.2
409.34750	8.7
427.35861	36.5
437.34213	15.7
455.35449	9.8
473.32455	10.3
487.37534	21.9
497.36365	28.4
498.36404	6.2
515.37256	19.9
522.72992	5.7
533.32361	65.1
534.32111	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	533.3841
Annotation	Fomitopinic acid B
Peak:m/z	Relative Intensity
53.03967	2.3
55.05518	18.3
57.03429	2.4
57.07073	9.1
62.98290	1.7
63.51876	1.8
65.03918	2.2
67.05510	27.2
69.03439	2.9
69.07075	25.0
69.08082	13.3
71.05024	2.6
72.09811	1.6
75.86749	1.6
77.03870	1.8
79.05505	16.0
81.07063	47.0
83.04989	4.6
83.08632	12.6
85.06528	9.8
91.05489	15.6
93.07053	35.4
94.07392	2.2
95.04977	5.0
95.08615	79.9
96.08952	2.4
97.06534	4.2
97.10177	6.4
99.08089	8.5
105.07038	50.4
107.08602	62.2
108.08950	2.2
109.06524	6.8
109.10160	53.3
111.08090	4.7
111.11720	4.0
113.09626	3.1
117.06993	4.5
119.08589	75.5
119.09448	3.8
120.08926	1.9
121.06486	6.3
121.10158	57.0
123.08084	8.8
123.10905	3.1
123.11718	32.5
125.09658	4.4
127.11208	11.4
129.07010	2.2
130.07822	2.2
131.08577	14.3
133.10138	56.5
134.10477	2.3
135.08070	10.9
135.11707	38.6
137.09616	6.8
137.13216	13.5
139.11174	2.8
143.08560	6.4
145.10135	27.1
146.10719	2.2
147.11696	56.0
149.09648	6.8
149.13263	20.6
151.11217	7.3
151.14809	12.0
155.08574	1.9
157.10150	10.6
159.11717	28.0
160.12386	1.8
161.09644	6.8
161.13263	26.0
163.11192	4.8
163.14861	15.4
165.12740	3.7
167.14290	2.1
169.15868	2.1
171.11691	9.9
173.13263	19.1
175.11198	4.1
175.14827	28.8
177.12743	4.9
177.16405	7.2
181.12254	2.2
183.11653	3.3
185.13318	9.7
187.11212	2.8
187.14827	22.6
189.12788	5.9
189.16393	100.0
190.16751	5.2
191.17978	11.8
193.15883	2.4
199.14841	8.2
201.16374	15.1
203.14322	5.0
203.17967	13.4
205.15936	13.4
205.19572	6.5
207.17430	2.4
213.16290	9.2
215.17998	13.1
217.15942	6.8
217.19585	4.3
219.17447	7.2
223.16873	2.2
227.17996	5.1
229.15854	1.8
229.19554	5.7
231.17453	9.3
231.21118	1.9
233.15434	1.9
233.19002	3.6
241.15880	2.1
241.19562	6.1
243.21054	2.3
247.20607	3.4
249.18549	6.0
255.21074	7.6
257.22714	2.4
259.20636	4.6
261.18494	2.3
269.22720	4.7
273.22134	20.4
283.24234	2.3
333.24194	4.7
337.28882	3.5
366.29370	1.8
391.33624	4.6
397.30988	2.8
409.29990	2.8
409.34729	40.4
410.35254	3.9
427.35748	24.9
434.96075	2.0
451.35730	8.0
469.36829	41.1
470.37119	4.9
487.37900	88.4
488.38428	9.9
515.33954	2.5
533.33929	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
56.05029	0.3
59.04995	0.2
59.40652	0.2
63.02367	0.4
67.05514	0.3
67.22896	0.2
69.03423	0.7
70.06583	0.6
70.34991	0.3
70.35318	0.5
71.04986	0.2
72.08158	0.4
79.05490	0.9
81.03404	0.3
83.04970	0.2
84.04516	0.3
85.02908	1.6
86.09699	0.5
87.62572	0.2
89.03915	5.0
90.04221	0.2
95.04984	0.4
97.02858	0.4
107.04943	1.6
110.01871	0.2
110.07166	0.3
115.07601	0.3
117.02588	0.4
117.03378	5.7
117.09179	0.3
120.38945	0.2
127.03888	0.4
135.04416	11.9
136.04742	0.3
145.02853	10.4
145.04842	0.4
146.03236	0.2
147.06532	0.4
163.03906	100.0
164.04253	3.5
164.06902	0.2
176.03387	0.3
185.89473	0.2
187.40913	0.2
193.07085	1.6
193.14409	0.3
234.73218	0.2
303.86426	0.2
341.06979	0.5
342.06894	0.9
355.10263	0.8
380.64929	0.2
384.13693	0.2
493.28549	0.2
534.21301	0.3
535.16571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85724	8.3
52.14433	9.5
53.03945	17.0
56.31581	8.4
58.00776	8.4
58.99585	37.5
65.03956	13.5
67.05492	48.7
69.03423	42.3
69.51469	21.9
69.51881	25.2
69.72166	9.3
70.06586	51.8
71.04984	58.4
72.08149	10.1
73.02930	11.7
78.84230	10.1
79.05483	39.6
81.03407	19.1
81.07045	28.1
84.08126	14.4
85.02906	65.5
85.06544	10.8
86.09702	27.6
86.99036	17.2
91.05489	48.8
93.07027	19.3
95.04964	28.1
95.08608	26.0
97.02892	30.3
99.02668	12.6
101.00611	18.8
103.05460	26.1
105.03416	8.8
105.07045	57.3
107.04953	17.6
107.08596	21.1
109.02879	14.9
111.02647	29.4
111.08128	9.8
115.05477	45.1
117.03402	10.3
117.07008	27.5
118.19144	8.6
118.82808	9.8
119.08572	14.6
120.08189	9.7
121.06489	21.4
123.04420	22.0
123.08078	26.0
125.00568	45.3
127.02037	11.2
127.03907	15.1
128.06230	42.6
129.07004	45.2
131.04935	18.2
131.08554	19.2
133.06503	23.2
137.06026	16.2
139.02132	16.8
141.00075	11.3
141.06976	55.0
142.07695	10.8
143.08562	21.2
145.02890	16.8
145.06470	35.7
145.10164	11.6
147.01093	32.0
147.04414	14.5
147.08028	15.4
149.04185	20.6
149.06023	13.3
149.08481	9.3
152.06178	18.1
153.05609	9.6
153.06996	38.0
154.07785	33.6
155.01653	15.8
155.08546	26.4
157.10121	15.7
159.11613	12.5
161.04222	16.5
161.06036	14.5
161.09523	10.1
163.07555	14.5
164.02797	9.9
165.06963	18.8
167.07001	29.2
167.08569	25.0
169.06471	12.1
169.10120	37.6
170.07361	11.9
171.02722	11.0
171.08118	13.7
173.02701	11.5
173.04170	13.3
173.09622	13.4
174.05069	14.0
175.05835	15.7
175.07411	10.5
177.03699	100.0
177.05444	24.6
178.07755	10.6
179.08524	28.1
183.08034	18.2
185.04172	20.5
186.05020	25.0
187.05789	23.8
187.11188	18.9
189.03665	14.9
191.05252	10.7
195.08192	10.0
197.09584	47.9
198.10382	23.1
201.07324	23.0
202.04466	28.4
203.05212	33.4
213.02078	10.1
213.07446	14.2
215.10664	11.3
220.09030	18.0
229.06924	23.5
230.07497	28.0
248.08647	66.9
257.11777	39.6
275.07220	17.4
287.05475	14.9
291.10037	9.8
319.10199	12.5
321.70660	9.8
337.11060	35.2
372.11661	11.8
514.55170	10.2
534.18805	38.7
534.32397	22.0
535.18524	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	534.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01880	8.9
55.05508	3.8
67.05501	10.8
69.03444	6.8
70.06596	11.0
71.05000	30.0
71.31700	5.7
72.08150	5.2
79.05489	25.0
81.03412	6.9
81.07043	5.6
84.04519	4.4
85.02933	9.8
86.09705	9.2
89.03941	6.7
91.05492	25.7
91.28829	4.3
93.07062	10.5
95.04948	7.7
95.08608	5.5
97.02914	5.0
97.06546	15.4
99.80543	5.1
103.05466	11.8
105.03374	3.6
105.07035	69.8
107.08652	4.2
115.05470	36.6
116.06276	3.9
117.06960	4.8
119.08617	5.9
121.06516	8.8
123.04427	39.8
128.06255	8.3
129.07033	8.7
131.04935	6.6
131.08585	5.7
133.06499	56.1
134.01805	5.1
135.04385	5.1
137.06024	13.8
141.06969	9.6
142.07771	5.0
143.04970	5.9
143.06052	5.6
143.08546	6.6
145.06538	7.8
145.10176	11.3
147.02650	4.3
147.04433	6.3
149.04225	8.1
152.06238	5.0
153.07030	8.7
154.07820	6.4
155.08612	9.1
157.10130	3.9
161.05986	100.0
165.07062	3.8
167.07066	8.1
167.08517	4.4
169.10146	8.7
171.11674	4.3
177.03708	20.1
177.05400	6.5
178.07782	8.2
181.04968	4.7
181.06485	5.4
182.07236	4.4
182.10913	5.6
183.11707	7.7
185.13316	10.2
186.13565	5.7
192.07730	6.6
193.08591	86.5
193.10202	7.4
197.09683	12.4
203.05202	4.9
223.04237	7.1
239.10811	7.2
257.11694	37.1
276.55646	3.7
287.05502	13.6
291.10275	4.7
301.09021	13.7
319.09952	23.7
383.67902	4.2
386.86581	4.3
555.87921	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	534.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	2.9
67.07925	0.8
70.53692	1.8
74.03578	0.8
79.05492	7.4
89.89500	0.8
91.05482	3.6
95.04991	1.2
103.05462	10.7
105.07031	64.2
106.07359	2.0
115.05453	14.2
118.04154	6.5
127.03899	1.0
131.04919	2.3
132.05719	1.0
133.06488	59.6
134.06831	2.4
137.05865	0.8
143.05032	1.1
143.06003	4.4
153.01822	2.5
161.05978	100.0
162.06329	2.4
163.06007	1.2
167.07074	1.1
182.05881	0.8
193.08600	68.3
194.08926	1.7
287.05490	51.0
534.18341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	2.9
67.07925	0.8
70.53692	1.8
74.03578	0.8
79.05492	7.4
89.89500	0.8
91.05482	3.6
95.04991	1.2
103.05462	10.7
105.07031	64.2
106.07359	2.0
115.05453	14.2
118.04154	6.5
127.03899	1.0
131.04919	2.3
132.05719	1.0
133.06488	59.6
134.06831	2.4
137.05865	0.8
143.05032	1.1
143.06003	4.4
153.01822	2.5
161.05978	100.0
162.06329	2.4
163.06007	1.2
167.07074	1.1
182.05881	0.8
193.08600	68.3
194.08926	1.7
287.05490	51.0
534.18341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21298	3.3
55.01887	4.1
55.05503	13.7
57.07086	3.7
59.83712	3.4
66.06441	3.2
67.05506	27.1
69.07069	24.2
71.05017	3.7
71.32346	4.8
79.05490	14.8
81.07057	45.4
83.04987	5.3
83.08621	12.5
85.06549	6.8
91.05471	13.5
93.07048	35.4
95.04978	6.1
95.08041	6.3
95.08611	83.0
96.08942	4.1
97.06502	7.4
97.10175	5.4
99.08092	5.5
105.07041	27.9
105.44723	3.6
106.07388	4.4
107.08595	46.5
109.06502	8.6
109.10155	47.4
110.10484	4.5
111.08083	49.8
111.11713	4.7
113.06009	8.3
117.07037	3.8
119.08584	59.0
120.08904	7.0
121.10147	59.6
122.10448	4.9
123.08058	49.7
123.11690	25.5
124.12074	5.1
131.08569	11.2
133.10127	30.3
133.39833	2.9
135.08023	7.8
135.11725	21.8
137.09641	10.1
137.13269	16.1
139.07532	19.3
143.08589	5.1
145.10109	19.8
147.08003	4.9
147.11679	25.1
149.09552	7.4
149.13248	15.3
151.11198	4.5
151.14796	4.5
157.10167	5.3
159.11673	14.5
161.13260	13.4
163.14963	5.9
165.09122	27.1
171.11787	4.3
173.13231	12.5
175.11215	5.1
175.14804	10.0
177.09236	4.1
177.12732	4.5
177.16298	4.1
181.12219	9.4
182.12669	7.7
183.10187	12.5
185.13200	4.3
187.14833	9.9
189.16415	25.3
191.17938	14.7
195.13841	4.6
201.16339	4.9
203.14418	3.6
203.17973	8.8
203.89937	4.3
205.19498	9.6
215.17804	5.3
217.15869	5.1
217.19389	4.2
219.17447	9.0
231.17386	5.5
233.15424	4.8
235.16908	5.0
241.19420	3.5
249.18474	4.9
269.22668	3.9
275.23700	35.2
287.05502	12.6
397.30881	5.9
411.32480	6.5
421.30890	6.2
439.31729	19.1
457.33154	41.1
464.31570	4.1
474.37140	4.2
475.31900	11.6
499.33972	6.1
513.25739	4.0
527.35126	3.9
534.32770	12.7
535.34015	100.0
553.34894	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	534.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.4
57.07100	2.2
62.65327	1.8
67.05503	10.5
69.03429	2.2
69.06776	2.1
69.07076	21.0
69.35217	12.2
79.05490	5.6
81.07061	18.9
83.04980	2.1
83.08617	7.9
84.53870	1.8
91.05494	6.9
93.07043	16.0
94.06705	1.8
95.04986	3.9
95.08607	37.7
96.08915	2.9
97.10184	4.4
99.08129	1.6
100.84176	1.7
105.07012	14.3
107.08597	27.7
108.08894	2.2
109.06532	3.0
109.10158	30.9
110.10478	2.3
111.08086	7.3
111.11740	9.5
119.08588	18.8
121.06525	3.5
121.10144	26.2
123.08096	4.7
123.11702	18.4
125.05979	5.5
131.08560	5.6
133.10110	17.3
134.10464	3.1
135.08069	3.6
135.11676	16.0
137.09630	4.9
137.13272	7.0
139.07549	3.4
142.66956	1.7
143.08565	3.9
145.10130	12.3
147.07986	3.0
147.11699	15.7
149.09627	2.8
149.13237	9.7
151.07478	2.8
151.14882	2.7
153.09097	2.7
157.10129	3.5
159.11639	9.7
161.09557	2.3
161.13263	5.8
163.11211	3.2
163.14854	8.0
165.09167	3.3
166.84242	1.7
167.10725	2.1
169.10074	2.3
171.11713	4.8
173.09607	3.3
173.13292	7.7
175.11157	3.9
175.14827	5.6
177.05486	2.9
177.12825	1.8
177.16368	4.9
179.10637	3.0
181.12219	1.8
183.11803	2.3
185.13274	2.5
187.11218	2.1
187.14821	9.2
189.16423	16.0
191.14320	2.4
191.17931	11.5
195.00328	2.2
199.14857	3.3
201.12709	10.9
201.16376	5.4
203.14438	2.3
203.17915	9.1
205.12274	4.0
205.15881	3.0
205.19542	5.6
211.14917	2.5
213.16405	3.0
215.14386	7.2
215.17903	3.9
219.13802	10.5
219.17300	2.6
227.14363	2.9
227.17920	2.3
229.19398	2.6
233.15309	11.6
235.17017	1.9
243.21149	2.5
245.15364	6.2
247.16878	2.0
249.18439	3.6
255.21245	3.6
259.16965	2.5
275.23798	2.4
285.18179	1.9
287.05557	8.6
300.81784	2.0
311.23782	2.1
329.24698	32.9
330.24921	2.1
393.31680	2.1
397.31064	6.3
411.32449	15.3
413.34192	18.8
421.30762	2.5
429.33286	2.3
439.30771	2.8
439.35690	8.7
457.33054	100.0
458.33426	10.8
471.34238	3.1
475.33948	6.1
499.34103	5.4
517.35413	11.4
534.32751	6.2
535.34076	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	534.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.0
56.65709	3.8
57.07079	6.6
64.99280	3.4
67.05513	18.0
68.54591	3.7
69.07080	25.1
71.04996	6.0
71.08619	4.0
79.05511	23.4
81.07063	60.8
82.35215	3.9
83.08623	10.6
85.06541	26.0
86.93909	4.0
91.05470	22.9
93.07048	52.2
93.76673	4.5
95.04990	4.5
95.07999	3.4
95.08608	100.0
97.06514	5.6
97.10168	4.6
98.23372	11.2
105.07030	49.8
107.08599	87.2
109.10166	53.1
111.08097	10.5
117.07061	9.5
119.08590	87.8
121.10154	80.5
123.08086	14.7
123.11720	41.2
129.07050	5.7
131.08582	23.7
133.10138	61.4
135.08113	5.4
135.11708	67.8
137.09671	6.6
137.13252	13.9
143.08592	8.2
145.10121	41.4
147.11684	57.6
148.61121	4.1
149.09616	7.4
149.13249	34.5
151.11195	8.0
157.10193	11.4
159.11725	37.7
161.13277	41.3
163.11198	6.4
163.14827	32.5
165.12730	11.2
169.10196	5.3
171.11687	19.2
173.13245	34.6
175.14824	48.4
175.16200	5.1
177.16447	16.2
183.11736	5.5
185.13356	12.9
187.14754	24.4
189.16397	33.6
189.68742	3.9
191.12749	4.1
191.14273	20.6
191.18051	19.4
193.15924	16.4
197.13313	6.8
199.14851	13.3
201.13016	3.6
201.16429	36.6
203.14397	9.7
203.17969	45.6
205.15900	12.2
207.17380	8.3
209.15419	11.1
211.14925	4.6
213.12840	4.7
213.16484	5.1
215.17969	8.9
217.15994	5.2
217.19600	5.9
219.17480	18.7
221.15430	6.0
221.19023	10.5
225.16440	4.8
227.17982	6.5
229.19446	8.4
239.18083	9.2
241.19554	7.7
243.17528	9.2
243.21046	5.4
245.15538	4.5
245.18907	5.7
252.53754	4.2
253.19553	5.8
255.17546	5.5
255.21103	7.3
257.19009	13.1
261.18604	4.4
271.20801	10.2
287.05658	7.0
375.30585	14.0
383.33096	8.2
393.31549	68.6
394.31824	7.1
411.32629	30.6
453.33652	19.8
457.33124	8.5
471.34811	44.2
472.34552	6.7
499.34204	7.5
534.38330	42.2
535.32874	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	534.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.4
57.07069	6.0
61.92228	3.0
63.78820	4.0
67.05499	29.5
69.03439	3.3
69.07069	18.1
69.34784	2.9
69.40926	17.7
69.41344	5.9
71.05000	5.6
79.05482	14.6
79.67607	3.0
81.07066	55.4
83.08635	13.5
85.06550	24.4
91.05497	21.7
91.42836	4.4
93.07050	42.7
95.04952	3.6
95.08611	71.5
97.06529	3.5
97.10179	5.8
99.08083	4.6
105.07043	41.3
107.08605	59.7
109.06545	5.4
109.10164	49.6
117.07050	6.6
119.08602	50.4
121.10162	47.0
123.08088	8.0
123.11718	26.5
129.27249	3.4
131.08574	13.5
133.10126	41.7
135.08105	3.7
135.11697	41.8
137.09625	7.5
137.13268	12.7
143.08580	9.6
145.10135	21.8
147.11719	24.3
149.09621	5.6
149.13268	43.4
151.11215	4.8
157.10165	8.6
158.59091	3.1
159.11665	32.0
161.09676	8.1
161.13271	29.1
163.07574	3.4
163.14844	12.1
165.12813	5.3
167.14290	3.7
169.10141	3.6
171.11739	5.8
173.13303	23.4
175.11212	8.6
175.14836	32.2
177.12749	19.4
177.16298	6.5
181.80779	3.4
183.11641	6.8
185.13280	15.0
187.11240	8.9
187.14847	14.8
189.12816	4.6
189.16394	12.2
191.14323	11.2
191.17920	20.7
193.15932	5.8
197.13254	4.3
199.14835	7.7
201.12769	11.5
201.16408	10.9
203.14363	17.5
203.17995	15.6
205.12291	10.8
205.15880	9.1
211.14760	4.3
213.16406	4.4
217.15915	7.6
219.13890	19.5
219.17465	6.1
221.15430	4.5
227.17984	4.1
229.12279	8.6
229.15887	7.2
245.22690	9.4
247.13347	11.0
247.17014	5.8
257.19019	6.0
259.17041	4.0
263.16415	33.9
263.23764	18.4
273.18454	8.8
287.05417	5.5
289.18457	3.4
301.17929	7.7
303.19751	4.2
337.27280	8.0
357.24530	4.6
371.26096	3.6
393.31519	22.0
394.99933	3.6
403.30072	3.8
411.32642	18.2
421.31097	40.2
422.31406	6.4
439.32126	100.0
440.32199	10.0
453.33636	3.9
457.33136	10.3
462.12079	3.6
471.34857	30.5
481.33463	5.1
499.34250	64.8
500.34525	4.5
534.37665	10.6
535.29919	5.0
550.05731	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	534.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30579	2.3
55.05508	16.6
57.07088	6.1
62.01053	2.6
67.05498	21.0
69.07070	26.3
69.30740	18.3
71.05009	4.4
76.62067	2.7
78.03492	2.3
79.05487	23.6
81.07057	53.6
83.04992	4.6
83.08614	11.6
85.06545	34.0
90.33749	2.7
91.05471	19.3
93.07045	57.7
94.07343	3.6
95.05005	3.5
95.08611	93.4
96.08925	3.2
97.10187	4.1
98.22671	5.8
99.04528	3.7
99.08138	3.1
105.07028	49.2
106.07423	3.1
107.08595	76.0
108.08951	3.8
109.06509	7.7
109.10155	46.7
111.08136	4.1
113.09590	3.8
117.07027	6.7
119.07774	4.8
119.08585	65.4
121.06555	3.3
121.10148	68.0
123.08063	10.0
123.11720	32.0
123.39352	2.9
124.12027	2.8
125.09649	4.9
131.08583	24.0
133.10136	59.3
133.11140	1.9
135.08060	6.9
135.11705	43.5
136.12057	3.8
137.09639	9.0
137.13263	18.5
139.07574	3.3
142.07733	3.3
143.08554	9.8
145.10117	40.8
145.26698	2.9
146.10513	3.3
147.08104	3.5
147.11690	33.4
149.09639	7.2
149.13263	43.9
149.14337	4.3
150.13641	2.9
151.11151	5.6
151.14827	3.0
153.09183	3.7
157.10109	14.8
159.11697	41.7
160.12042	4.5
161.09616	4.1
161.13254	43.3
163.14819	22.4
165.12717	4.1
169.10179	7.5
171.11694	15.9
173.13286	29.1
175.11208	5.2
175.14848	31.1
177.12778	6.2
177.16396	10.4
179.14270	3.1
181.12337	4.8
183.11716	7.9
185.13266	8.7
187.11069	2.8
187.14819	21.5
189.12758	6.8
189.16394	31.7
190.16702	3.5
191.14281	10.5
191.17978	13.2
192.25072	3.0
193.15881	4.6
195.37646	2.8
196.88774	2.5
197.13318	5.8
199.14885	11.8
201.16368	23.8
203.14342	12.5
203.17941	13.5
205.15958	11.0
205.19571	3.1
211.14842	8.4
213.16475	16.5
215.17960	11.4
217.15947	9.6
219.17456	11.8
221.15472	13.0
227.18005	8.0
228.73430	2.7
229.15968	6.3
229.19406	3.2
231.17413	31.6
232.17886	4.0
237.16386	3.3
239.18039	6.3
241.19460	6.7
243.17516	6.4
243.21069	6.1
245.19003	4.9
249.18489	8.6
253.19525	4.0
255.17441	3.9
255.21133	8.8
257.18988	14.4
259.20563	3.3
270.16418	3.4
273.18512	18.9
273.21320	3.3
275.20047	7.7
283.20624	3.4
287.05551	7.4
340.28409	2.6
349.28879	4.0
367.29987	13.4
375.30386	11.1
393.31534	71.5
394.31720	8.4
411.32568	100.0
412.32767	9.9
421.30963	5.0
439.32245	13.2
453.33505	19.4
457.33224	9.8
471.34531	9.0
499.34045	7.4
517.34717	6.7
534.31683	3.4
534.38757	3.6
535.34119	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	534.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.1
57.07080	9.3
60.14422	3.6
60.91579	3.7
63.45162	3.9
63.59079	3.8
67.05516	22.3
69.07056	37.5
69.07899	42.7
79.05486	19.7
79.68095	4.3
81.07050	45.7
83.04992	5.3
83.08638	11.1
91.05490	24.4
91.06013	4.7
93.07029	30.1
95.05005	7.0
95.08016	4.4
95.08598	80.4
97.10194	6.4
105.07026	47.0
107.08595	47.4
109.06515	8.1
109.10165	54.0
111.08097	14.1
111.11729	6.6
119.08569	49.8
121.06485	4.5
121.10159	54.4
122.10551	5.2
123.08086	13.1
123.11700	26.5
124.12051	5.0
131.08574	19.0
133.10107	37.4
135.08066	5.6
135.11723	26.7
137.09605	6.7
137.13263	12.8
139.07571	5.7
142.07793	4.6
143.08559	7.7
145.02863	8.0
145.10132	28.6
147.08051	10.4
147.11705	39.1
148.12030	5.0
149.09575	8.0
149.13246	18.1
155.08658	5.8
157.10170	13.3
159.11668	25.7
161.09648	5.2
161.13287	21.0
163.11206	10.9
163.14861	11.3
171.11722	9.3
173.09612	6.2
173.13301	12.6
175.11200	8.9
175.14868	13.2
177.05472	11.6
177.16399	6.7
178.05919	6.8
181.12262	5.3
185.13266	9.8
187.14894	12.0
189.12744	5.0
189.16425	16.6
191.14270	5.1
191.18005	13.0
201.16403	12.3
203.14247	4.4
203.17934	11.7
205.19559	8.3
215.17978	18.2
217.15869	9.6
221.15398	5.5
231.17285	5.1
233.19122	7.5
243.21014	5.1
255.21165	5.4
287.05493	13.9
375.30377	14.4
393.31430	17.5
403.29797	11.1
411.32449	10.1
421.30902	14.2
439.32248	14.2
453.33508	9.9
457.32562	8.2
463.31964	4.8
481.33017	10.4
499.34103	19.3
534.32751	35.2
535.34094	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.3
60.08143	5.2
67.05502	44.5
67.78181	4.8
69.07076	45.1
69.17696	5.5
69.18006	38.8
71.04975	7.8
79.05503	30.2
81.07057	82.5
83.04948	7.5
83.08614	15.8
85.06553	33.5
85.97859	4.9
86.09708	13.5
91.05458	34.1
93.07052	56.8
95.04979	13.1
95.08611	89.7
96.08930	7.6
97.06522	10.8
99.08134	7.2
103.47287	4.6
104.10744	54.5
105.07036	61.4
107.08598	94.0
109.06522	13.9
109.10150	86.7
111.08068	8.1
117.07018	9.3
117.65102	4.9
119.08580	83.1
121.06474	10.0
121.10138	74.8
122.10487	9.4
123.08069	15.4
123.11696	35.2
125.09655	6.9
131.08554	22.2
133.10141	65.4
135.08035	7.2
135.11674	49.5
137.09610	12.8
137.13274	17.9
139.07533	7.8
139.11116	6.9
143.08572	15.2
145.10129	42.7
146.10468	5.2
147.08049	7.4
147.11684	49.9
149.09641	11.7
149.13252	52.4
149.24046	5.7
150.13580	7.1
151.11133	5.1
153.09140	5.5
157.10135	22.4
159.11714	47.3
161.09602	10.3
161.13292	47.0
163.11237	6.4
163.14821	19.2
165.12677	4.8
165.50436	5.3
169.10042	6.7
171.11671	9.7
171.67404	4.6
173.13252	39.5
175.11198	18.5
175.14812	58.4
177.12724	16.4
177.16432	13.1
179.14316	6.5
181.12221	5.2
183.11746	12.9
184.07378	11.0
185.13266	18.6
187.11182	9.5
187.14850	23.7
189.12744	9.7
189.16434	39.0
191.14333	17.8
191.17998	33.6
193.15933	10.2
193.64636	5.1
197.13222	6.8
199.14830	20.7
201.12634	10.4
201.16354	23.0
203.14293	13.3
203.17960	15.1
205.12241	18.6
205.15938	12.8
207.13829	6.5
211.14772	9.8
213.16406	8.8
215.17998	9.8
219.13739	17.8
219.17453	8.4
221.15338	8.2
223.14743	4.9
225.16377	7.1
227.17863	6.3
229.12192	6.5
229.15936	9.4
231.17523	7.3
233.15306	6.3
235.16983	7.9
247.13196	10.6
247.17142	5.3
249.18571	9.6
255.21114	7.7
257.19217	8.0
263.16504	26.3
287.05478	39.3
393.27280	6.7
393.31717	36.9
411.32755	25.6
412.32767	8.1
421.31049	36.7
422.31482	5.7
431.02701	4.9
439.32199	100.0
457.32901	15.9
461.96866	5.9
471.34818	31.4
475.22070	5.9
499.34534	51.1
500.34467	8.3
534.33600	8.7
535.34766	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.4
57.07066	2.4
59.81257	1.8
60.23645	2.0
67.05515	10.9
69.07075	15.2
69.61108	5.4
69.61517	6.0
71.05001	2.7
79.05476	5.7
81.07059	23.5
83.04974	2.8
83.08624	5.5
91.05476	6.6
93.07035	14.3
95.04969	3.1
95.08611	40.4
97.06537	2.5
97.10159	2.2
105.07041	9.8
107.08582	21.1
109.10152	24.7
111.08080	5.9
111.11731	6.3
119.08581	17.9
121.10141	24.0
122.10443	2.5
123.08062	5.3
123.11725	17.0
131.08589	6.2
133.10130	15.7
133.51312	2.3
135.08101	3.1
135.11707	16.4
137.13242	9.3
139.07559	4.0
143.08569	2.0
145.10094	9.3
147.11707	11.5
149.09602	3.4
149.13257	10.4
151.14886	2.6
157.10138	4.2
159.11703	9.4
160.12215	1.9
161.09595	2.0
161.13269	4.9
163.14844	4.7
165.09131	2.3
165.12729	2.1
167.10709	3.2
171.11630	4.3
173.13316	7.2
175.14801	5.5
177.05470	3.5
177.09084	2.4
177.16422	5.6
181.12282	3.2
183.10078	2.3
185.13234	3.9
187.11159	2.2
187.14824	8.7
189.12727	3.9
189.16356	12.5
191.14273	2.6
191.17996	7.4
193.12128	2.7
195.00247	3.5
199.14899	2.7
201.12769	6.4
201.16385	4.2
203.17931	6.3
205.12309	2.5
205.15829	2.5
205.19502	3.0
215.14365	6.3
219.13791	5.8
219.17302	2.8
229.19435	2.8
233.15355	12.4
245.15321	8.1
275.23724	3.2
287.05438	5.9
329.24731	24.2
339.17972	2.3
387.28842	2.4
397.31030	7.6
411.32425	12.3
413.34192	19.1
421.30164	2.7
439.31628	7.1
439.36252	6.3
457.33047	100.0
458.33395	10.0
465.14182	2.5
471.34851	3.1
475.34048	7.4
479.58463	2.2
517.34894	8.5
534.32544	6.4
535.34283	25.3
549.37305	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	534.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	5.9
61.47657	2.9
65.76778	2.8
67.05502	10.2
69.03427	4.1
69.07077	22.6
69.26351	20.5
79.05495	4.1
81.07059	23.7
81.89985	2.4
83.05006	4.4
83.08635	7.9
85.85605	2.6
91.05531	5.3
93.07062	10.9
95.08623	50.9
97.06546	5.6
105.07021	20.0
107.08594	23.9
109.10168	27.0
119.08591	38.9
121.10146	19.1
123.11717	11.4
125.09676	4.8
133.10143	22.0
135.11732	17.0
137.13268	7.4
145.10129	5.6
147.11700	19.7
149.13293	9.7
151.14784	5.5
157.10114	3.9
159.11742	6.9
161.13293	9.3
163.14876	3.0
164.65204	3.0
173.13313	6.0
175.14908	6.5
185.13406	3.0
187.14804	5.6
189.14697	6.6
189.16394	100.0
190.16687	4.5
191.17947	4.4
199.14876	3.9
201.16426	4.2
203.17955	5.5
207.17473	5.1
213.16365	4.8
243.21127	8.4
249.18481	22.2
255.21252	3.7
273.22119	8.7
287.05518	7.5
333.24222	16.4
357.28021	6.6
370.00220	3.2
393.35324	6.0
411.36343	9.0
439.31314	4.8
439.36447	5.5
471.31998	5.4
471.38388	95.8
472.38632	8.2
499.37759	4.4
525.69904	2.9
534.31720	5.7
535.32080	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	534.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.5
57.07084	7.0
57.19791	5.9
60.56615	5.5
61.28889	6.5
67.05501	14.5
68.98444	7.0
69.07055	14.9
71.23555	10.5
74.06799	5.9
74.09721	9.1
79.05504	8.2
81.07067	32.1
83.08640	6.3
87.82603	6.1
88.08859	6.0
90.94160	5.7
91.05504	18.1
93.07042	19.4
93.89916	5.9
95.05010	8.0
95.08607	49.7
99.51551	6.2
105.07053	22.1
107.08587	33.0
109.10173	31.0
119.08620	22.3
121.10134	37.1
123.08077	12.3
123.11710	12.1
131.08554	7.3
133.10150	21.5
135.11713	19.2
137.13248	11.6
140.12367	6.5
145.10143	13.5
147.11734	16.5
149.13292	13.5
159.11739	33.5
161.13322	13.3
173.13210	7.6
175.10999	7.6
175.14786	9.4
187.14847	11.5
201.16391	14.0
229.15907	17.5
287.05524	17.2
289.21631	11.9
307.22809	6.6
318.07568	7.2
403.33655	11.3
414.98950	7.2
421.34610	47.0
439.35767	100.0
440.36218	15.5
452.05630	6.6
510.92770	6.8
535.31964	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.8
67.05525	6.0
69.07064	10.0
70.77969	4.7
70.97538	12.2
79.05471	7.0
81.07043	20.8
91.05486	8.3
93.07059	15.7
95.08633	42.0
97.10176	7.0
105.07052	11.6
107.08606	17.3
109.06527	8.2
109.10172	25.6
111.03230	5.1
117.06992	5.6
119.01613	4.7
119.08578	12.8
121.10155	18.0
123.11755	10.1
131.08601	7.7
133.10153	16.0
135.11707	15.7
137.13298	7.5
145.10167	11.5
147.11702	11.3
149.13293	14.9
152.75261	6.2
159.11693	8.4
161.13312	9.4
173.13235	12.9
175.14952	5.7
177.12781	7.1
187.14847	8.8
189.16446	11.9
191.17976	9.4
199.14833	10.7
201.16461	11.6
211.14828	6.4
213.16377	7.7
219.17354	10.8
229.15874	14.6
247.16962	7.6
257.26996	5.6
277.75003	5.3
287.05484	7.7
289.21802	7.9
294.28473	5.9
393.35251	10.3
403.33362	10.2
411.35245	9.3
421.34644	45.2
439.30255	4.1
439.35721	100.0
440.35941	8.0
535.39282	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	534.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05510	9.6
57.07064	3.3
58.61100	1.3
61.36691	1.4
67.05503	12.2
69.06615	13.8
69.07061	28.4
69.07417	2.4
70.28142	1.3
71.08615	1.9
79.05502	10.1
80.02943	1.5
81.07056	32.2
83.08618	11.3
83.59641	1.3
91.05467	11.0
93.07046	31.3
95.04919	2.3
95.08607	53.8
96.08932	2.0
97.06537	2.6
97.10166	6.7
105.07030	22.9
107.07847	2.8
107.08591	50.7
109.06502	2.2
109.10163	36.4
111.08088	5.7
111.11716	3.9
117.07065	2.4
118.76772	1.5
119.08585	29.8
121.06466	2.3
121.10147	41.3
123.08075	4.9
123.11705	25.8
131.08574	8.4
133.10135	25.1
134.10486	2.1
135.08093	2.7
135.11693	36.7
137.09610	2.7
137.13263	12.5
139.07523	5.6
143.08542	2.1
145.10136	9.6
147.11697	15.4
149.09625	2.3
149.13281	22.5
151.07402	1.4
151.14760	1.7
153.09142	8.1
157.08780	1.7
157.10147	4.1
159.11668	10.1
161.09621	1.9
161.13260	8.2
163.07501	3.3
163.14824	26.5
165.09151	4.0
165.12697	3.4
167.10632	1.6
171.11661	4.4
173.13287	8.2
175.14828	5.9
177.09129	1.6
177.16391	4.1
179.10748	1.9
179.14130	1.6
179.18074	1.5
185.13258	2.6
187.14816	9.6
189.16385	37.5
191.10695	2.2
191.17949	100.0
192.18307	4.7
201.16399	5.2
203.17973	11.1
205.15727	1.6
205.19499	11.0
207.13887	2.3
209.18913	2.1
211.14825	2.0
213.16428	1.9
215.17986	2.1
217.19475	3.5
221.15419	1.8
228.56371	1.6
231.17459	4.3
233.15399	9.4
235.16966	2.7
241.19476	3.3
247.16942	7.2
249.18484	29.4
255.20985	2.4
263.20193	2.7
287.05566	2.8
291.23227	1.7
358.93878	1.8
361.13516	1.9
379.33301	1.9
404.02454	1.5
411.32175	1.8
411.36993	1.6
421.34476	1.8
439.36179	12.4
457.32422	4.6
457.37857	2.0
481.36487	2.2
499.38016	4.8
529.41602	1.8
534.32880	2.9
535.33801	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.4
67.05514	30.0
69.07056	34.9
81.07073	47.5
83.08641	17.7
91.05495	10.9
91.64057	6.6
93.07050	22.5
95.08611	79.9
105.07056	21.4
107.08595	39.9
109.10149	57.1
119.08638	33.3
121.10135	58.0
123.11710	32.2
125.09664	7.6
131.08534	7.5
133.10146	37.9
135.11688	26.1
137.13261	10.9
145.10147	14.9
147.11728	22.0
149.13277	22.8
159.11765	23.6
161.13290	18.8
163.14836	12.8
165.12874	8.4
165.79587	7.5
173.13260	13.1
175.14854	10.5
177.16389	14.9
187.14885	15.2
189.16484	15.2
191.18030	8.5
201.16403	9.5
205.19542	23.0
215.18059	7.6
217.16028	11.2
219.17491	15.8
229.15968	16.1
247.20590	13.2
262.25266	9.7
421.34610	26.9
435.54630	8.2
439.35818	100.0
440.36301	8.9
457.36502	28.9
499.37631	11.5
534.41595	9.6
534.48962	11.3
535.33478	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	534.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.03868	0.2
53.03958	1.2
55.05515	7.0
56.05037	4.3
57.07076	3.2
58.02957	0.4
58.06595	1.0
59.87586	0.3
60.04528	4.4
64.26808	0.2
65.03940	1.1
67.04231	0.4
67.05507	13.3
68.05031	1.5
69.07070	8.6
70.06593	1.6
71.08627	1.8
77.03919	0.4
79.05497	11.7
79.05963	0.6
80.05016	3.4
81.05804	1.5
81.07059	11.7
82.06582	8.2
82.07333	0.3
83.04984	0.4
83.08620	4.8
84.08146	0.6
84.89249	0.2
85.10190	0.9
86.06073	0.4
91.05486	10.4
92.05798	0.3
93.05788	0.8
93.06561	0.2
93.07045	11.3
94.06570	20.2
95.04965	1.1
95.07357	9.4
95.08607	9.5
96.04478	0.3
96.08141	4.8
96.08810	0.4
96.08925	0.3
97.06540	0.4
97.10167	2.8
98.06063	0.7
100.07628	0.4
105.04498	0.5
105.07034	6.9
107.07380	0.5
107.08590	6.3
108.08126	3.7
109.06543	0.3
109.10157	4.5
109.38573	0.2
110.09646	0.3
111.11738	1.1
114.47845	0.2
115.89351	0.2
117.07019	0.4
119.08588	5.8
120.08123	0.5
121.08907	0.6
121.10149	6.8
122.09659	2.4
123.11693	1.5
124.11221	0.4
131.08559	0.3
133.10127	4.5
134.09650	0.5
135.10452	0.8
135.11693	3.4
136.11180	0.7
137.13213	1.1
147.11714	1.4
149.13252	1.5
151.14850	0.6
161.13284	1.0
163.14827	0.5
175.14786	0.6
177.16403	0.2
182.19125	0.3
191.17961	0.6
205.19464	0.2
209.55258	0.2
217.02962	0.2
219.21057	0.9
229.04218	0.2
233.22656	5.0
234.22244	0.5
237.21927	0.4
245.22670	4.3
250.25305	10.1
254.24826	1.1
260.23639	0.6
262.25302	100.0
263.25751	4.8
266.24731	0.4
272.25885	4.9
273.26233	0.5
280.26346	11.0
281.26553	0.4
296.25980	0.3
310.27277	0.2
504.47900	1.9
516.47754	6.3
517.47839	0.4
534.48834	4.7
535.49048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02325	0.3
53.03936	1.5
55.01847	0.4
55.05513	9.4
56.05036	5.9
57.07068	3.2
58.02957	0.5
58.06590	1.0
60.04525	4.3
65.03931	1.2
67.04237	0.5
67.05502	16.0
68.05027	1.8
69.06192	3.1
69.07065	11.5
70.06582	2.4
71.08626	2.4
77.03899	0.5
79.05493	14.2
80.05016	3.6
80.27411	0.3
81.03397	0.4
81.05795	2.2
81.07056	13.4
81.24438	0.3
82.06573	10.1
82.43584	0.3
82.62926	0.3
83.04973	0.4
83.08616	7.0
84.08142	0.6
85.10164	1.0
86.06083	0.6
89.36478	0.3
91.05477	13.0
93.05784	0.6
93.07045	12.1
94.06565	23.7
95.04950	1.8
95.07350	10.4
95.08601	11.5
96.08133	6.5
97.06488	0.7
97.10163	3.4
98.22594	0.5
100.07585	0.9
103.05428	0.4
103.66913	0.3
105.04491	1.0
105.07037	7.0
106.11611	0.3
107.07355	0.6
107.08590	5.7
108.08105	3.5
109.10147	3.7
110.09666	0.9
111.11687	1.0
117.07035	0.4
119.08573	6.8
119.09422	0.3
121.08858	0.4
121.10141	6.3
122.09660	3.0
123.11684	1.6
124.11186	0.4
133.10133	4.4
134.09648	0.4
135.10414	1.2
135.11682	3.1
136.11198	1.3
137.13225	1.0
147.11678	1.4
149.13278	1.0
151.11156	0.4
151.14807	0.7
161.13255	1.2
163.14783	0.7
191.17935	0.9
219.21065	0.8
220.20770	0.4
233.22655	4.4
234.22134	0.7
245.22672	4.3
248.23900	0.4
250.25287	10.2
251.01099	0.4
251.25616	0.5
254.24702	0.7
256.26260	0.4
260.23724	0.5
262.25290	100.0
263.25714	4.0
272.25842	6.0
280.26346	11.1
281.26825	0.6
287.05502	0.6
504.47937	2.6
516.47888	5.4
534.48627	4.9
547.32941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1082
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03931	0.1
64.66888	0.1
67.01868	0.6
68.99799	0.4
70.67805	0.2
81.38002	0.1
85.02905	0.1
89.03925	0.2
93.10310	0.1
111.00814	0.1
117.03374	0.2
119.57874	0.1
125.02303	0.1
127.03928	0.1
129.01843	0.2
135.04420	1.8
137.02332	0.6
145.05009	0.1
153.01830	5.9
154.02150	0.1
161.02341	0.7
171.02916	0.4
179.03377	0.3
182.14427	0.1
185.05952	0.2
193.08563	0.1
213.05490	0.1
219.06453	0.1
231.06448	0.1
241.04938	0.6
245.04326	0.1
259.06085	0.1
269.04352	0.4
287.05490	100.0
288.05838	5.2
449.10779	1.0
450.10922	0.1
517.10211	0.2
535.10797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44489	2.0
67.05482	2.5
69.07063	3.2
69.15060	11.8
69.15481	6.0
73.04753	5.4
79.05513	4.4
81.07044	4.9
88.95970	2.5
91.05795	10.7
93.07036	6.6
95.08604	5.4
105.07003	2.6
106.56845	2.4
107.08591	5.0
109.10152	2.9
119.08584	4.4
121.10146	2.7
131.10066	2.2
133.10144	5.0
135.08070	2.5
137.05962	10.2
137.21078	2.2
145.10123	2.8
149.04443	4.0
149.09598	2.8
150.38634	2.6
154.84428	2.8
157.10187	2.9
161.13222	2.6
167.05591	14.8
183.11652	3.1
239.09480	5.3
266.99747	3.5
269.16397	2.8
283.03046	5.8
287.05484	67.9
288.05774	3.6
299.06158	24.3
344.97662	5.7
408.69952	3.1
415.03366	4.5
518.16821	2.5
535.19275	100.0
536.20068	5.7
543.19629	2.6
554.67279	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.64291	1.4
55.95766	1.3
65.03925	1.8
66.46818	1.2
67.05489	1.8
69.03413	1.9
70.06602	1.8
73.04774	1.8
76.00016	1.4
79.05474	3.7
81.07044	1.8
85.02896	1.9
89.03876	1.7
89.65441	1.5
91.05433	10.7
93.07018	1.5
94.04189	5.6
95.04941	2.5
103.05491	7.4
105.07024	4.5
107.04964	6.6
107.08661	2.0
109.06521	1.9
115.05457	6.0
117.07018	3.7
119.04201	1.3
119.04960	7.9
119.08590	2.8
121.06504	4.5
122.03644	9.9
129.07002	4.3
131.04910	12.8
132.05667	1.5
133.02855	1.7
133.06453	4.5
135.04390	3.0
135.08008	1.7
137.05980	100.0
143.04910	3.1
144.05693	3.5
145.06523	4.0
145.10107	1.4
147.04430	6.6
147.07973	2.5
149.04433	1.6
149.05963	5.3
151.03897	6.4
151.07510	5.3
153.01823	2.5
153.06920	1.5
155.04889	4.7
157.06415	1.3
159.04460	1.6
160.05186	2.8
161.05988	16.1
163.07541	4.5
165.05400	2.4
165.06953	2.2
166.07776	2.1
167.05600	3.5
167.07027	6.5
169.06352	1.3
171.04443	2.4
173.06026	2.2
175.07555	12.9
177.05450	5.3
177.09155	1.8
178.07826	3.7
179.07034	2.7
179.08475	2.2
181.06432	3.4
182.07248	1.6
183.04457	2.5
185.06055	9.2
187.07497	4.5
189.05394	3.6
189.07011	2.4
190.07727	2.8
191.07021	5.9
191.08566	3.2
193.06480	2.6
194.07301	3.5
195.08115	2.4
199.07547	2.2
202.07761	3.0
203.07028	9.9
203.08479	2.7
204.07806	3.6
205.06483	4.7
206.07230	3.4
207.08069	3.4
211.07507	3.7
213.05371	1.9
215.06912	7.3
215.08823	1.9
217.06601	1.5
217.08601	1.8
218.07242	4.1
219.08112	3.8
220.08791	2.9
221.05975	4.9
221.09483	3.4
222.06795	4.3
223.07568	3.0
231.08185	7.1
232.08821	2.7
233.05931	3.5
233.09674	2.8
234.06697	8.1
235.07532	4.2
237.09177	5.9
242.07188	2.4
243.08122	1.7
244.08705	2.6
245.06032	2.3
245.09682	1.6
247.07573	7.6
248.08365	6.2
249.09114	8.0
251.06871	3.2
253.08617	3.7
257.05893	2.1
258.06842	3.9
259.07532	6.2
260.08209	2.8
261.09195	6.1
262.06189	3.6
262.10077	2.0
263.06979	2.1
263.10651	1.7
264.07840	3.0
265.08487	11.8
266.09232	3.8
267.10318	1.4
268.07257	2.0
269.08310	1.8
270.06662	1.6
272.08350	2.7
273.05527	1.5
273.09009	3.2
274.06110	1.7
275.07050	3.5
276.07806	5.0
277.05978	1.6
277.08536	10.8
278.09238	2.8
279.10287	3.4
281.08075	2.1
281.11588	1.9
283.03061	1.6
283.09860	7.9
284.10660	1.7
285.11264	7.6
287.05380	37.9
288.05554	1.9
289.08533	4.2
290.09152	3.3
291.10153	7.9
292.07440	1.6
293.08090	1.8
294.08591	2.8
297.11285	11.6
299.06189	9.3
301.08630	6.1
302.09076	2.0
303.10095	5.4
304.07184	2.9
305.07953	10.7
306.08554	2.8
307.09604	6.3
308.10068	1.5
309.11264	10.1
313.08057	1.9
315.12378	10.5
318.08859	3.1
319.09619	14.8
320.10153	3.8
321.11166	5.3
330.08795	3.2
331.09686	4.5
332.10345	2.1
333.11136	10.0
337.10709	40.4
338.10876	1.6
339.12341	3.0
345.11200	8.1
351.12415	19.3
363.12320	24.2
365.01816	1.6
375.12128	4.1
377.11505	2.0
393.13092	2.0
416.90778	2.1
417.11685	1.6
423.12167	2.2
425.13770	3.2
427.15335	3.8
437.14163	3.2
454.13815	2.0
455.14993	9.2
457.16318	6.1
467.14871	1.9
469.16428	12.4
475.17535	4.2
481.15897	2.4
487.17566	15.5
499.17523	7.8
505.18484	2.3
517.18250	2.4
535.20740	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	535.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.1
55.64291	1.4
55.95766	1.3
65.03925	1.8
66.46818	1.2
67.05489	1.8
69.03413	1.9
70.06602	1.8
73.04774	1.8
76.00016	1.4
79.05474	3.7
81.07044	1.8
85.02896	1.9
89.03876	1.7
89.65441	1.5
91.05433	10.7
93.07018	1.5
94.04189	5.6
95.04941	2.5
103.05491	7.4
105.07024	4.5
107.04964	6.6
107.08661	2.0
109.06521	1.9
115.05457	6.0
117.07018	3.7
119.04201	1.3
119.04960	7.9
119.08590	2.8
121.06504	4.5
122.03644	9.9
129.07002	4.3
131.04910	12.8
132.05667	1.5
133.02855	1.7
133.06453	4.5
135.04390	3.0
135.08008	1.7
137.05980	100.0
143.04910	3.1
144.05693	3.5
145.06523	4.0
145.10107	1.4
147.04430	6.6
147.07973	2.5
149.04433	1.6
149.05963	5.3
151.03897	6.4
151.07510	5.3
153.01823	2.5
153.06920	1.5
155.04889	4.7
157.06415	1.3
159.04460	1.6
160.05186	2.8
161.05988	16.1
163.07541	4.5
165.05400	2.4
165.06953	2.2
166.07776	2.1
167.05600	3.5
167.07027	6.5
169.06352	1.3
171.04443	2.4
173.06026	2.2
175.07555	12.9
177.05450	5.3
177.09155	1.8
178.07826	3.7
179.07034	2.7
179.08475	2.2
181.06432	3.4
182.07248	1.6
183.04457	2.5
185.06055	9.2
187.07497	4.5
189.05394	3.6
189.07011	2.4
190.07727	2.8
191.07021	5.9
191.08566	3.2
193.06480	2.6
194.07301	3.5
195.08115	2.4
199.07547	2.2
202.07761	3.0
203.07028	9.9
203.08479	2.7
204.07806	3.6
205.06483	4.7
206.07230	3.4
207.08069	3.4
211.07507	3.7
213.05371	1.9
215.06912	7.3
215.08823	1.9
217.06601	1.5
217.08601	1.8
218.07242	4.1
219.08112	3.8
220.08791	2.9
221.05975	4.9
221.09483	3.4
222.06795	4.3
223.07568	3.0
231.08185	7.1
232.08821	2.7
233.05931	3.5
233.09674	2.8
234.06697	8.1
235.07532	4.2
237.09177	5.9
242.07188	2.4
243.08122	1.7
244.08705	2.6
245.06032	2.3
245.09682	1.6
247.07573	7.6
248.08365	6.2
249.09114	8.0
251.06871	3.2
253.08617	3.7
257.05893	2.1
258.06842	3.9
259.07532	6.2
260.08209	2.8
261.09195	6.1
262.06189	3.6
262.10077	2.0
263.06979	2.1
263.10651	1.7
264.07840	3.0
265.08487	11.8
266.09232	3.8
267.10318	1.4
268.07257	2.0
269.08310	1.8
270.06662	1.6
272.08350	2.7
273.05527	1.5
273.09009	3.2
274.06110	1.7
275.07050	3.5
276.07806	5.0
277.05978	1.6
277.08536	10.8
278.09238	2.8
279.10287	3.4
281.08075	2.1
281.11588	1.9
283.03061	1.6
283.09860	7.9
284.10660	1.7
285.11264	7.6
287.05380	37.9
288.05554	1.9
289.08533	4.2
290.09152	3.3
291.10153	7.9
292.07440	1.6
293.08090	1.8
294.08591	2.8
297.11285	11.6
299.06189	9.3
301.08630	6.1
302.09076	2.0
303.10095	5.4
304.07184	2.9
305.07953	10.7
306.08554	2.8
307.09604	6.3
308.10068	1.5
309.11264	10.1
313.08057	1.9
315.12378	10.5
318.08859	3.1
319.09619	14.8
320.10153	3.8
321.11166	5.3
330.08795	3.2
331.09686	4.5
332.10345	2.1
333.11136	10.0
337.10709	40.4
338.10876	1.6
339.12341	3.0
345.11200	8.1
351.12415	19.3
363.12320	24.2
365.01816	1.6
375.12128	4.1
377.11505	2.0
393.13092	2.0
416.90778	2.1
417.11685	1.6
423.12167	2.2
425.13770	3.2
427.15335	3.8
437.14163	3.2
454.13815	2.0
455.14993	9.2
457.16318	6.1
467.14871	1.9
469.16428	12.4
475.17535	4.2
481.15897	2.4
487.17566	15.5
499.17523	7.8
505.18484	2.3
517.18250	2.4
535.20740	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	535.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.1
55.05516	2.6
58.19847	2.0
65.03944	2.1
67.05514	6.7
69.03426	6.7
69.07076	3.1
71.30458	3.0
71.37355	2.7
73.04749	4.5
79.05492	6.2
79.64765	1.9
81.03436	2.7
81.07063	6.6
83.04964	2.2
85.02901	6.3
91.05472	7.9
93.07040	6.1
94.04214	5.5
95.04984	2.7
95.08601	5.7
96.56033	1.8
103.05485	3.0
105.07040	10.6
107.04964	5.0
107.08611	9.4
109.06516	3.9
109.10146	4.9
111.08109	2.5
115.05475	3.4
117.07009	4.1
118.05778	1.8
119.08591	9.6
121.06535	4.0
121.10158	7.3
122.03642	10.8
123.08146	2.2
123.11703	2.1
129.07004	2.8
130.07800	2.1
131.04944	4.7
131.08588	3.6
131.61678	2.1
133.06516	2.4
133.10144	3.1
135.04451	2.7
135.08067	1.9
135.11682	3.1
137.05986	91.0
138.06310	3.2
143.04953	2.0
143.08501	3.4
145.10141	6.2
147.11780	5.0
149.05919	2.5
151.07547	3.3
153.01802	4.4
155.04889	2.2
157.10133	3.7
159.11705	7.9
161.06026	4.8
163.07541	3.3
163.11104	2.0
165.06856	2.1
167.05608	12.1
167.08487	2.4
171.11717	2.9
173.13289	2.8
175.07610	2.7
179.08533	2.0
185.06033	5.0
187.07582	4.5
189.07217	2.3
189.12653	2.0
191.07068	5.0
192.09279	2.7
199.11189	2.0
201.16397	3.4
203.07013	4.6
206.07201	3.0
207.11739	9.5
215.07030	3.0
217.06508	3.2
225.04401	3.6
225.09084	3.0
233.05916	2.2
234.06734	3.7
247.07552	3.3
248.08363	3.1
249.09221	4.3
253.08595	3.2
259.07715	2.6
262.06268	3.7
263.07202	2.4
269.05600	2.3
269.22861	2.6
275.06961	2.0
277.08612	7.8
278.08670	2.4
283.03113	2.9
287.05472	100.0
288.05627	3.0
289.08783	2.5
291.10349	3.2
297.11444	4.0
299.06149	18.4
303.10284	2.2
305.08188	3.6
309.11264	3.2
331.09378	2.0
337.10742	12.5
344.97629	4.1
351.12131	7.1
356.11456	3.6
363.12402	3.6
411.12662	2.5
425.13770	2.6
426.14938	2.3
427.15314	7.1
437.13870	6.4
455.14859	17.8
456.15302	2.7
457.16360	3.2
469.16412	12.0
487.17484	12.6
499.17242	2.7
535.20599	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	535.215
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
54.66318	0.2
57.99207	0.2
59.77122	0.2
63.49671	0.2
69.03446	0.2
69.05654	0.2
69.05983	1.5
81.07050	0.2
85.02916	0.2
92.20387	0.2
95.01067	0.2
96.78134	0.2
126.76180	0.2
128.05049	0.2
135.04378	0.2
137.05975	0.7
141.05261	0.2
155.03157	0.7
167.05600	0.3
169.04729	0.6
171.02702	0.4
195.08180	0.2
201.03726	0.6
203.05269	0.3
215.05325	0.4
229.06873	0.6
273.09381	0.2
275.07416	0.9
287.05487	4.3
288.05899	0.2
299.06207	0.4
301.08932	0.5
317.08569	0.2
333.07877	6.6
335.09436	4.7
403.17303	1.6
455.17676	0.2
535.21497	100.0
536.21857	7.9
536.29980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.275
Annotation	Staphylionoside G
Peak:m/z	Relative Intensity
55.01860	12.3
55.05503	16.7
57.03431	11.1
67.05501	25.2
69.03429	23.8
69.07074	12.5
69.41866	30.7
70.06574	7.8
71.04996	11.1
79.05486	17.1
81.03435	15.8
81.07053	27.2
83.04982	19.0
83.08617	7.0
84.04497	7.8
85.02902	26.7
85.06527	8.7
86.09715	13.8
90.37469	5.4
91.05475	22.2
93.07055	24.2
95.04961	15.3
95.08607	32.9
96.83601	6.3
97.02917	7.8
97.06529	7.9
98.23373	10.8
99.04497	7.0
104.93789	6.2
105.07040	23.9
107.04937	8.3
107.08566	27.9
109.06540	12.8
109.10161	56.7
109.84367	5.2
111.08085	9.3
115.05486	9.8
117.07023	6.2
119.08587	34.3
121.06503	7.7
121.10175	16.6
123.04456	5.7
123.08103	6.5
123.11729	7.1
125.09623	6.4
129.95271	5.3
130.04993	6.0
131.04933	5.6
131.08655	9.8
133.10138	20.2
135.11726	39.4
135.69037	5.1
137.05983	35.1
137.09621	13.8
145.05008	9.2
145.10132	14.2
147.08087	7.3
147.11652	13.3
149.06009	8.0
149.13284	7.6
151.07556	11.1
153.01794	28.2
153.05455	6.2
161.02370	24.6
167.05591	9.2
167.07018	11.2
175.14835	11.2
193.12468	6.0
193.15923	17.6
202.36125	5.5
211.16982	63.1
217.12149	6.3
247.58806	5.8
287.05396	51.0
288.05865	6.2
298.04712	20.7
299.05997	27.9
307.09677	7.4
313.03384	44.0
327.05008	43.8
355.04388	13.4
373.05502	100.0
373.13199	7.4
374.05942	7.0
393.32559	6.7
444.38013	7.7
517.17639	25.5
535.19830	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	535.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.5
67.05500	6.9
69.03416	3.7
69.07076	4.5
69.13860	13.1
69.14262	6.7
73.04761	6.5
79.05505	6.3
79.12856	2.5
81.07073	14.3
85.02900	4.0
91.05493	10.2
93.07049	12.0
95.08610	23.2
97.06511	3.3
98.22614	5.9
105.07040	21.3
107.08590	11.6
109.02879	3.4
109.06539	3.7
109.10153	11.2
111.08065	2.9
117.06992	5.6
119.08577	31.8
121.06502	5.1
121.10135	5.9
123.11695	2.6
129.06995	6.3
131.08588	17.0
133.10104	14.9
135.08052	3.7
135.11705	6.6
137.05971	9.4
142.59013	2.7
143.08575	11.1
145.10129	26.9
147.08087	4.9
147.11696	8.0
149.09550	2.5
153.01814	4.6
155.08563	3.7
157.10149	11.7
159.08029	4.4
159.11714	10.5
161.09618	4.7
161.13220	6.1
163.14848	3.6
167.05600	4.7
167.06999	3.2
171.11734	6.0
173.13251	13.6
175.07600	3.1
175.14795	7.2
177.12827	3.6
181.09993	2.8
183.11700	8.3
185.13223	5.2
187.14832	39.4
189.12796	4.5
189.16467	6.3
191.14305	6.4
197.13332	3.6
199.14792	5.9
201.16376	10.8
203.14316	24.6
204.14697	3.5
205.15884	7.4
213.16365	4.5
215.14369	3.9
217.15895	4.3
225.04199	3.1
227.18016	3.6
266.99875	2.9
287.05502	100.0
288.05765	7.9
299.06287	12.7
309.25940	3.4
344.97272	3.7
405.27722	3.7
407.29922	3.5
417.27786	3.6
435.28781	7.7
437.30685	3.4
451.28506	5.1
453.29880	7.4
455.31534	21.8
469.29529	30.8
470.29828	5.8
481.29623	6.0
487.29764	4.4
499.30499	9.3
517.31494	12.2
518.31854	3.9
535.17480	20.8
535.32324	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	535.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46600	1.2
53.03941	2.6
55.01853	1.4
55.05511	3.4
55.31923	1.3
60.57248	1.3
66.35477	1.3
67.05505	4.6
69.03436	4.0
69.07065	3.8
70.06609	2.8
70.89651	2.2
71.04987	1.5
79.05506	6.9
81.03419	3.1
81.07065	10.1
83.04988	2.3
85.02914	4.7
86.09692	1.6
87.00816	1.3
91.05444	6.6
93.07068	10.4
95.04958	3.2
95.08612	14.8
97.02926	2.5
97.06544	1.6
99.08141	1.7
105.07032	11.6
107.04962	2.4
107.08611	10.0
109.02918	1.9
109.10192	6.4
111.08064	1.6
117.07021	3.5
119.08583	14.3
121.06541	2.3
121.10164	6.1
123.08079	2.8
123.11728	1.8
125.09666	2.1
127.03921	2.6
127.07616	1.7
128.06219	1.9
129.06995	3.0
130.81340	1.3
131.08565	9.7
133.06480	1.5
133.10129	8.5
135.08092	2.2
135.11716	4.1
137.06015	4.9
137.09595	2.6
141.06982	1.3
143.08551	3.8
145.06508	1.3
145.10143	12.9
147.08095	2.1
147.11713	4.6
149.05991	1.7
149.13246	1.7
153.01859	4.6
154.02315	1.4
155.08444	1.7
156.09389	1.4
157.10130	5.9
159.11702	5.7
161.09590	2.3
161.13232	3.6
167.05614	2.0
167.06981	2.7
167.08459	1.7
169.10184	1.8
171.11693	3.7
173.13222	3.7
175.14827	2.6
183.11656	1.9
185.13327	3.7
187.11186	1.9
187.14836	18.1
189.12727	3.4
189.16431	2.6
191.14261	2.0
195.11662	2.1
199.14857	3.8
201.12874	1.8
201.16360	3.7
203.14342	12.2
205.06421	1.3
205.15880	2.3
213.16440	2.5
215.14328	2.6
216.62006	1.6
217.15887	2.1
233.15401	1.9
243.04300	1.2
253.18005	3.4
283.03351	1.6
287.05505	100.0
288.05811	8.6
299.06116	5.6
309.25732	1.8
405.27835	1.9
407.29657	2.3
417.28058	2.3
423.28873	2.2
435.28769	2.5
451.28232	2.5
453.30005	3.0
455.31506	10.6
463.29028	1.3
469.29520	13.0
481.29300	2.8
499.30652	6.3
517.31329	4.5
535.10223	1.8
535.19238	2.8
535.32556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89271	6.3
55.05524	10.2
67.05486	11.0
69.07076	9.0
79.05499	12.8
81.07083	18.4
90.35347	6.6
91.05476	20.3
93.07035	20.2
95.08615	52.7
97.10173	9.5
98.22636	18.3
105.07059	41.3
107.08588	28.0
109.10149	19.9
117.07062	14.9
119.08575	61.4
121.10134	16.9
128.17570	6.7
129.07001	13.7
131.08551	33.3
133.06522	9.6
133.10172	22.8
135.08047	9.0
135.11685	9.1
137.06007	13.3
137.09648	12.1
143.08609	19.7
145.10092	43.7
147.11652	14.1
157.10158	17.3
159.11710	29.5
161.09621	7.9
161.13251	12.3
165.07094	6.8
171.11691	14.7
173.13339	21.5
175.14841	15.7
185.13264	23.5
187.14821	100.0
188.35197	6.1
189.12811	12.2
189.16399	10.0
191.14268	7.5
199.14867	26.7
201.16385	29.4
203.14325	68.9
205.15970	13.3
213.16319	9.6
215.14296	11.6
225.43782	7.1
228.29883	7.1
281.22562	8.1
309.25757	8.4
334.13525	7.1
407.29431	8.6
409.31183	8.7
412.70422	7.4
435.28845	26.4
451.28503	10.4
453.30200	13.0
455.31522	57.9
469.29654	78.6
481.29395	16.8
487.30963	9.9
499.30756	37.2
517.31561	30.1
518.32220	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	535.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47360	4.6
52.35220	4.4
52.58942	4.0
53.03935	5.2
55.01877	4.6
55.05529	10.0
55.24604	4.0
67.05489	21.4
69.03426	8.3
69.07085	11.1
70.45824	8.7
79.05506	18.3
81.03427	7.4
81.07056	27.5
83.08646	4.6
91.05450	23.0
93.07048	36.2
95.04984	6.4
95.08606	68.8
99.22526	4.3
105.07038	45.3
107.08585	39.9
109.06523	4.5
109.10157	27.2
117.07027	12.8
119.08588	59.6
121.06509	8.5
121.10133	29.0
123.11685	9.8
127.03924	8.0
129.07025	11.8
131.08560	35.0
133.06488	6.6
133.10123	35.8
135.08081	4.6
135.11708	16.5
137.06003	9.6
137.09607	10.9
142.07762	7.8
143.08545	22.1
145.10120	57.5
146.10411	4.5
147.08022	9.5
147.11700	17.7
149.09633	5.1
149.13216	8.8
155.08578	12.3
157.10104	22.3
159.11749	29.0
161.09631	10.6
161.13272	10.0
163.14815	9.4
169.10147	10.0
171.11743	24.1
173.13235	24.7
175.14833	17.5
177.16396	5.2
182.10815	5.5
183.11693	15.1
185.13271	25.1
187.11159	8.1
187.14824	91.9
188.15179	4.8
189.12759	8.2
189.16359	14.0
189.40269	4.6
191.14342	14.3
197.13306	8.7
199.14828	21.0
201.12723	5.5
201.16335	22.0
203.14307	69.1
205.12149	6.5
205.15880	13.6
213.16428	14.0
215.14255	8.1
217.15886	16.3
227.14328	6.2
227.17935	7.3
229.15852	6.1
231.13844	8.7
233.15460	7.7
237.16528	5.2
245.15381	7.6
249.14732	6.2
264.95142	4.7
287.05490	38.3
299.06204	9.1
309.25674	7.7
325.25446	4.8
334.93161	4.8
389.28360	5.7
391.30075	9.3
405.28000	10.4
407.29410	18.1
417.27963	10.9
423.28900	10.5
425.30508	6.6
435.29031	31.1
451.28607	13.2
453.29849	21.9
455.31482	60.2
456.31882	9.3
463.28552	10.9
469.29440	100.0
470.30072	11.0
481.29474	15.0
487.30566	14.0
499.30515	47.8
517.31641	52.1
518.31488	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	535.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98317	3.4
53.03955	4.1
55.05512	15.3
57.07075	4.4
58.18357	3.4
67.05517	21.8
69.00237	33.0
69.03433	10.8
69.07082	14.6
73.04758	5.5
79.05499	19.7
81.03453	3.8
81.07058	41.0
83.04992	4.4
83.08627	6.0
85.02923	8.2
85.89595	3.6
90.94845	3.4
91.05428	23.4
93.07050	36.7
95.04962	5.2
95.08609	71.2
97.06534	3.6
97.10150	4.9
105.07034	43.7
107.08592	46.7
109.06496	7.7
109.10151	18.9
111.08143	4.9
117.07030	8.1
119.08587	90.3
121.06553	10.4
121.10139	32.5
123.08154	8.6
123.11716	5.4
125.06030	5.9
127.03941	7.4
128.06181	4.4
129.07008	12.3
131.08553	41.8
133.06451	4.6
133.10144	34.1
135.08086	9.5
135.11713	11.7
137.05963	22.0
137.09595	9.6
142.07852	7.6
143.08540	29.0
145.10126	60.0
147.08061	15.8
147.11716	20.0
147.81062	3.7
149.13246	7.7
151.04015	4.3
151.07640	6.0
153.05502	3.9
155.08546	10.9
156.09360	9.6
157.10156	29.7
159.02902	3.8
159.07996	5.0
159.11740	29.4
161.09673	14.1
161.13295	15.0
163.14851	5.7
165.09074	3.9
167.05557	14.7
167.06935	6.2
169.10158	7.3
170.10890	7.3
171.11760	15.1
173.09627	6.7
173.13281	25.8
175.11201	7.3
175.14848	21.2
177.12706	8.3
183.11739	14.1
185.09734	4.3
185.13293	18.5
187.14835	85.7
188.15395	4.8
189.12817	13.4
189.16415	12.0
191.14316	9.5
197.13341	10.3
199.11282	4.4
199.14819	19.5
201.12791	9.0
201.16380	25.1
203.14323	77.8
203.16081	6.3
205.15837	22.8
207.11809	6.9
209.13289	5.0
211.14836	5.4
213.16420	21.2
215.14299	6.2
215.17928	5.4
217.15919	14.4
219.13934	5.3
219.17357	4.1
225.16406	5.7
227.17908	8.2
229.15877	7.3
231.13783	8.5
233.15388	8.8
241.19421	4.2
241.66794	3.9
243.13821	5.0
245.15353	6.8
253.19507	4.2
265.19553	4.6
266.99942	4.1
283.03000	6.1
287.05524	75.6
288.05832	9.8
299.06274	32.2
307.24173	7.7
309.25754	11.2
344.97473	5.4
371.25867	7.6
389.28378	8.4
391.29904	7.4
407.29419	14.3
409.31216	4.5
411.10098	4.3
415.03683	6.6
417.27777	14.6
435.28763	24.2
437.30609	8.0
451.28464	5.1
453.30045	15.9
455.31580	62.6
463.28241	6.9
469.23059	8.5
469.29520	100.0
470.29803	11.5
481.29373	11.7
487.30707	10.7
499.30481	37.5
517.31604	42.6
535.20355	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	535.3396
Annotation	Taumycin B
Peak:m/z	Relative Intensity
55.05511	0.4
67.05510	0.9
68.71527	0.3
69.05513	2.7
69.05920	0.6
69.07068	1.3
79.05499	0.6
81.07048	1.2
93.07049	1.3
95.04932	0.5
95.08620	2.5
96.08906	0.5
98.22620	0.8
105.07037	0.9
107.08607	1.3
109.10167	1.9
119.08590	1.4
121.06543	0.4
121.10144	1.5
122.10468	0.5
123.08039	0.5
123.11716	0.4
124.12051	0.5
133.10129	0.8
135.11703	1.3
137.13240	0.7
147.11768	0.5
149.13263	0.9
161.13298	0.5
163.14876	0.6
167.05609	0.6
173.13338	0.6
189.16429	0.7
190.16705	0.6
191.18027	1.3
192.18362	0.8
250.18892	0.6
287.05658	0.5
299.06134	1.1
440.36600	0.5
475.31787	6.4
476.31952	0.6
535.33954	100.0
536.34290	9.1
553.34973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05262	0.5
53.03937	1.9
55.01867	2.6
57.03428	2.3
61.02922	2.7
61.55570	0.7
63.81055	0.6
65.03944	3.0
67.05524	0.9
68.99791	0.9
69.03434	12.7
69.34518	2.2
69.34932	1.9
71.05012	1.3
73.02915	2.0
79.05487	0.8
81.03419	9.8
81.07048	2.5
83.04974	0.9
84.04513	3.0
85.02905	38.6
87.00831	17.6
87.04489	0.9
91.05482	100.0
92.05804	2.5
93.07059	2.1
95.08626	0.7
97.02896	12.8
97.06552	1.3
99.04484	3.7
102.05506	1.5
103.03944	1.2
103.96406	0.6
105.01867	24.9
105.07021	3.3
107.08590	0.7
109.02200	1.2
109.02881	11.8
111.04449	0.9
111.08088	0.6
115.03915	0.6
117.06979	1.3
119.08602	1.8
121.06503	0.8
125.87486	0.6
127.03920	24.8
128.18272	0.6
129.01855	1.1
129.05495	0.6
129.07025	1.9
130.05023	1.9
133.06477	2.0
133.10132	0.7
133.33128	0.6
135.08064	0.9
137.05968	1.5
143.03488	0.6
143.08540	1.3
145.04968	9.1
145.06461	1.9
147.02911	0.7
147.11736	1.4
148.06039	2.5
152.42137	0.6
153.01816	1.5
157.06572	1.1
159.02853	3.5
164.77518	0.7
167.05693	0.7
171.08044	1.6
175.07555	2.0
175.11145	1.0
181.06541	1.0
189.03922	2.2
193.12308	0.9
195.06535	1.9
199.07559	2.4
213.03896	1.2
217.08543	3.2
217.12219	0.7
224.02559	0.6
231.05016	8.4
235.09711	0.8
235.13286	1.3
249.05989	3.2
289.07016	1.4
299.06235	2.1
321.09787	2.1
339.10648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.6
53.03950	3.6
55.01870	4.6
55.05490	0.6
57.03447	3.1
61.02926	4.6
63.02361	0.5
63.19460	0.6
65.03937	2.4
68.99796	2.1
69.03430	24.7
70.06577	1.3
70.33150	1.6
71.04997	3.6
72.08142	1.3
73.02921	4.0
73.04767	0.8
79.05499	0.9
81.03420	14.9
81.07066	0.6
82.03756	0.7
83.01338	0.9
83.04979	0.9
84.04488	0.9
84.08137	0.6
85.02906	60.5
86.03231	0.7
86.09711	1.0
87.00834	27.8
87.04483	1.0
91.03959	1.6
91.05481	100.0
92.05820	2.1
93.07037	1.2
95.04983	0.9
97.02893	23.4
99.04458	8.0
99.53309	0.7
103.03940	1.4
103.05482	0.6
105.01868	41.9
105.07008	3.7
105.62464	0.6
109.02878	19.9
110.09724	0.7
115.03938	1.4
115.05430	0.6
117.01852	1.3
117.06998	0.6
119.04919	0.7
119.08556	1.1
120.08113	3.6
124.07546	0.6
127.03917	44.5
128.04265	0.6
129.01828	2.4
129.07008	2.0
129.10211	0.7
131.06529	0.5
131.48775	0.6
133.06499	1.8
136.07567	1.1
137.05948	1.3
138.09164	3.9
143.03404	0.7
143.08534	1.1
145.02902	0.7
145.04967	17.8
145.06465	3.1
147.02885	2.3
147.04443	0.6
147.07928	0.6
149.05968	1.0
157.06520	1.9
159.02882	6.6
166.08562	0.6
166.30240	0.5
167.05582	1.7
167.06929	0.6
171.08066	1.7
171.14839	0.6
175.07533	1.4
177.05482	1.4
181.04897	0.6
181.06491	1.1
187.07541	0.7
189.03949	3.2
195.06564	1.4
199.07549	3.7
212.07104	0.8
213.03931	3.0
217.08548	2.6
223.06094	0.8
231.04987	15.3
232.05449	0.5
235.09607	0.8
239.09425	0.6
249.06015	4.2
253.07065	1.3
271.08188	1.2
283.03119	1.3
286.89310	0.6
299.06137	3.5
303.08737	0.8
315.13306	0.7
321.09717	2.5
339.10733	1.6
343.12842	1.9
347.16107	0.7
357.08389	0.7
374.14398	0.6
375.15594	0.9
521.00610	0.6
536.24493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69150	2.9
53.03938	9.5
55.01872	6.9
55.05504	11.3
57.03453	4.4
57.07075	3.5
58.92461	3.1
59.04993	3.4
63.37743	2.5
63.90834	2.6
64.68084	2.6
65.03918	3.6
67.05505	19.3
69.03427	26.1
69.07061	12.9
69.31541	11.3
69.31966	9.1
71.04995	42.0
73.04762	6.7
79.05483	21.8
81.03405	15.0
81.07052	40.7
83.04985	8.2
83.08605	7.0
83.77634	3.1
84.08134	6.7
85.02901	37.8
85.06551	10.2
86.09690	3.4
87.00829	11.6
91.05407	24.5
92.58946	3.0
93.07042	54.6
95.04966	100.0
95.08615	24.6
96.05281	4.0
97.02877	14.2
97.06538	14.9
99.04420	7.8
99.08087	30.6
103.05468	4.9
105.01892	15.8
105.07031	47.2
107.08588	53.9
109.02887	10.0
109.06490	11.5
109.10150	33.9
111.04415	4.2
111.08069	4.9
117.07032	6.1
119.08578	31.6
120.08104	14.6
121.06496	11.9
121.10133	33.7
123.08053	13.3
123.11704	11.2
125.09641	26.2
127.03931	19.5
127.07556	38.8
127.11213	20.4
129.07051	3.9
129.10236	4.8
131.08554	43.5
133.06535	4.2
133.10118	34.6
135.08058	6.6
135.11679	11.8
137.05971	17.8
137.09602	13.0
139.11191	4.8
142.07759	5.0
143.08510	5.3
143.10666	40.0
145.04956	9.5
145.10127	33.4
147.07977	5.5
147.11679	30.5
148.03944	4.3
149.09641	28.9
151.07640	3.6
151.11156	3.3
153.05484	5.4
155.10666	5.3
157.10118	12.1
159.02902	6.1
159.11661	17.4
161.09599	7.1
161.13322	3.8
163.11182	8.7
165.12773	5.7
167.05521	9.3
171.06494	5.0
171.82973	3.2
175.11191	4.3
175.14842	10.7
177.12672	3.9
177.16335	5.4
183.13846	4.1
187.14787	6.9
189.16422	3.8
192.14171	3.2
199.14809	12.8
201.16420	4.4
205.15909	23.2
217.12361	3.3
217.15875	63.7
219.17497	3.1
223.16989	17.8
231.04886	4.1
235.16896	79.0
236.17250	5.3
252.71732	3.0
253.18001	26.8
288.05869	3.9
299.06165	27.6
330.13120	3.0
344.97757	7.6
381.41904	3.2
415.03583	3.9
421.08249	3.8
483.22400	20.0
483.28488	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	536.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.05502	15.4
57.03433	4.5
59.26633	4.2
67.05505	19.2
69.03427	13.7
69.07066	13.1
69.89452	15.2
69.89835	6.4
71.05001	20.0
73.04772	23.4
75.03469	3.4
76.83886	3.6
77.70554	3.6
79.05499	32.1
81.03412	7.4
81.07063	81.0
83.08609	5.9
85.02899	15.5
85.06544	4.0
87.00831	8.8
91.05787	36.5
93.07053	39.8
95.04977	6.3
95.08615	46.4
97.02914	18.5
99.04487	4.5
99.08086	4.7
100.36857	4.5
101.02381	20.1
105.07043	48.5
106.07368	6.1
107.08596	51.8
108.08945	4.5
109.02890	9.6
109.06542	7.2
109.10146	35.5
117.07011	8.2
119.03426	72.9
119.08578	74.4
120.08905	5.8
121.10142	19.0
123.11713	12.8
127.03916	15.1
127.11211	12.9
128.06203	4.4
131.08577	10.7
133.10130	37.7
135.11711	67.2
137.05956	21.6
137.13255	5.0
143.10704	7.1
145.04953	4.8
145.10133	11.9
146.10428	7.1
147.07980	6.0
147.11708	24.2
149.04501	9.4
149.13297	5.4
153.12747	10.7
157.10165	4.2
159.11656	9.9
161.06029	6.4
161.13272	15.0
163.03873	4.2
163.14833	7.2
167.05574	42.5
167.06926	6.9
171.11592	5.6
175.14803	7.3
187.14806	10.4
188.15157	10.8
189.16420	3.9
200.15265	4.3
202.16620	4.5
203.14326	11.0
203.17949	43.9
203.77815	4.2
204.14709	4.3
213.16341	5.1
221.18950	27.9
225.04300	9.4
235.20650	4.5
239.09512	5.1
253.18063	5.3
263.07584	8.1
266.99908	14.6
271.16870	6.2
281.05075	8.3
283.03079	17.1
287.05573	15.3
288.05841	21.4
289.17957	10.9
299.06189	100.0
300.06149	8.4
344.97668	13.4
359.02765	10.4
415.03580	13.2
456.32391	9.0
470.29663	16.3
500.30698	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	536.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	25.0
57.03429	7.2
57.07069	10.8
62.52443	4.4
66.92225	4.3
67.05497	26.0
68.63380	4.2
69.07072	32.3
69.51099	25.1
71.04079	4.2
71.08633	9.5
73.04752	18.8
79.05488	10.1
81.07041	31.0
83.08607	30.0
85.10163	7.6
88.05083	5.4
91.05807	52.8
93.07034	14.2
95.08614	32.6
97.10175	16.5
104.10738	8.3
107.08595	12.1
108.30230	4.6
109.10172	22.6
110.68117	4.8
111.11696	9.5
121.10144	16.4
123.11688	5.8
124.99959	5.5
135.11694	15.9
149.04503	5.6
149.13269	6.4
165.16194	5.3
167.05580	50.6
184.07368	15.7
185.09871	6.1
225.04285	13.0
239.09520	12.9
247.24190	17.4
256.36423	4.9
265.25256	57.6
266.99826	14.1
283.02991	17.2
283.26270	10.4
288.05698	7.5
299.06204	100.0
300.06244	13.1
339.29025	43.9
344.97559	20.1
359.03049	7.7
361.99091	4.8
409.87982	4.6
415.03583	13.0
537.32336	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	536.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81721	1.4
55.05507	5.1
55.35413	1.6
57.07061	5.5
60.08164	10.2
64.14158	1.6
67.05500	9.2
69.07071	8.1
71.07375	4.5
71.08640	2.5
73.04765	8.9
79.05485	3.9
81.07038	9.9
83.08615	4.9
86.09709	41.0
89.83620	1.8
91.05809	20.3
93.07042	5.3
95.08602	9.3
97.06517	2.4
97.10169	3.8
98.98462	6.8
104.10743	38.5
107.08559	2.6
109.10144	4.0
121.10132	6.5
125.00003	25.4
135.11705	5.3
149.04428	5.7
149.13271	2.4
155.01059	2.3
167.05545	20.3
184.07347	100.0
225.04292	4.2
239.09552	3.2
247.24184	5.3
265.25256	12.1
266.99860	4.4
283.03094	6.4
283.26422	1.9
299.06180	38.4
300.06137	4.7
339.28857	14.1
344.97705	6.8
345.98041	1.8
347.76401	1.9
357.29871	2.5
359.02917	4.1
415.03531	6.2
430.75122	2.0
518.36035	5.3
536.37354	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	536.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.3
57.07074	4.0
58.22916	2.9
67.05492	12.0
69.07063	14.4
69.19617	20.8
73.04758	10.1
79.05498	7.5
81.07053	23.2
82.07366	2.6
83.04967	3.3
83.08624	9.3
91.05876	13.5
93.07039	25.5
95.08602	43.6
97.06594	2.7
105.07024	18.0
107.08577	31.7
109.06582	4.5
109.10152	34.2
109.22054	3.0
111.08116	3.4
117.07033	3.9
119.08585	41.0
121.10149	53.8
123.08060	4.2
123.11726	28.8
131.08572	4.9
133.10147	26.8
135.08067	3.0
135.11685	27.3
137.13269	9.8
139.11157	7.6
145.10141	10.0
146.10754	2.5
147.11696	22.9
149.13269	11.8
151.14801	7.3
156.61388	3.0
159.11699	7.6
161.09547	3.6
161.13293	14.7
163.14835	11.3
165.09113	2.8
167.05588	19.8
167.10638	8.2
173.13284	4.9
175.14870	8.0
177.16409	22.9
179.78967	3.2
187.14969	7.2
189.16347	20.9
191.17950	24.8
193.15849	2.7
201.16481	8.0
203.17943	38.7
204.18343	2.7
205.19611	3.4
221.15396	5.7
223.16997	3.9
225.04259	3.1
239.16373	6.5
243.21178	3.0
249.18626	3.7
258.66824	2.9
261.22089	4.4
266.99802	3.1
283.02991	5.8
288.05875	4.4
299.06192	30.0
300.06296	4.9
344.97650	6.9
351.08276	2.9
357.27951	4.4
395.33041	4.0
413.34134	100.0
414.34381	7.0
415.03677	6.0
420.14944	3.0
441.33868	15.2
459.34265	2.8
503.10406	2.9
536.34326	36.3
537.34668	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	537.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01880	3.2
55.05499	2.4
61.02945	2.6
65.03922	4.7
66.76495	2.6
67.05504	6.9
69.03436	13.0
69.07067	3.8
69.11858	21.4
69.30873	2.5
70.06586	3.4
73.02927	3.4
73.04752	5.2
79.05520	6.9
81.03425	11.0
81.07068	5.9
83.04938	2.8
83.65278	2.4
85.02899	21.8
91.05473	7.7
92.04967	2.6
93.07052	10.8
94.06602	2.4
95.04974	7.5
95.08627	4.9
96.08147	2.5
97.02888	9.1
99.04485	2.8
103.05459	4.2
105.07043	7.8
107.04977	3.4
107.08609	7.6
108.08142	9.1
109.02853	5.5
109.06516	3.7
110.09711	3.7
111.04478	4.3
117.07055	2.7
119.08615	6.0
120.04458	6.3
120.08099	3.2
121.06514	3.5
121.10167	4.8
122.03657	3.5
122.06069	3.1
122.35693	2.5
123.08042	2.7
125.05999	4.2
127.03948	7.1
129.07025	6.4
131.04988	7.2
131.08504	3.7
133.10112	4.6
134.05014	2.7
135.08049	3.1
136.07597	8.6
137.05981	41.6
137.09630	3.2
138.09143	9.7
143.04965	2.5
144.04492	9.1
145.04926	5.2
145.06537	3.4
145.10088	4.8
147.08023	2.7
147.11732	5.1
148.03929	100.0
148.07574	2.9
149.04405	2.9
149.05995	5.7
151.03897	33.8
151.04994	3.6
153.01886	7.8
153.05489	2.6
154.08594	2.9
157.06555	3.4
157.10161	4.8
161.04579	2.8
161.05869	5.9
162.05528	9.4
163.03891	2.6
163.07501	3.1
163.11192	2.7
166.05017	17.5
166.08658	18.8
167.05598	2.6
167.07198	3.2
169.10182	3.0
172.03943	31.9
173.04431	2.6
173.09737	2.9
173.13254	3.2
175.11259	2.6
187.07526	4.0
187.14821	4.9
189.09154	5.6
190.05064	6.5
191.07014	4.5
203.07047	12.3
204.06561	66.7
204.08368	4.0
205.06882	3.4
205.08644	5.1
207.06636	2.7
221.08087	3.6
233.08121	4.1
241.15840	4.1
255.11266	16.1
271.16910	6.1
273.12354	16.2
283.10764	13.4
289.06717	4.5
289.18005	6.7
299.06281	4.1
300.06104	4.1
301.06534	2.7
301.11801	71.0
302.12201	5.0
305.81326	2.5
309.11368	2.6
325.11707	3.2
327.12369	4.7
339.12280	4.6
343.12869	48.8
357.14041	19.6
375.14764	6.0
537.22186	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
65.03943	0.9
65.36259	0.9
66.04713	1.2
70.06580	1.0
71.31622	1.1
73.04754	3.8
75.36530	0.8
79.05496	3.4
81.07062	2.2
91.05420	2.7
91.05817	5.4
93.07068	1.1
94.04207	4.4
95.04971	1.3
95.08620	1.2
97.02880	1.0
103.05441	2.3
104.09628	0.9
105.04424	0.8
105.07050	6.2
107.04970	1.7
115.05477	2.5
117.07022	2.1
119.04922	1.1
119.08575	3.7
121.06513	1.9
122.03645	8.1
123.79177	0.9
128.06248	2.1
129.07019	3.3
131.04942	2.9
132.05716	3.5
133.06471	3.2
135.04408	1.2
137.05975	100.0
138.06322	2.4
144.05714	1.2
145.06519	1.1
146.03601	1.6
147.04410	2.2
147.08018	4.0
149.04579	1.1
149.06015	1.7
151.03940	2.8
151.07544	2.7
155.04904	1.0
159.08086	2.0
160.05194	2.5
161.05972	14.1
163.07526	1.7
165.07005	5.7
166.07793	2.7
167.05560	5.6
167.07053	2.4
168.05672	2.1
174.06801	1.6
175.07556	23.4
177.06938	1.4
177.09155	1.2
178.07794	2.5
179.07076	1.9
179.08551	1.8
180.65228	1.0
181.04820	1.2
182.07271	1.1
187.07556	6.5
189.09155	3.0
191.07074	1.1
193.06494	2.3
193.08624	4.9
194.07283	7.4
195.08141	1.6
198.06680	0.9
199.07562	2.1
203.08678	1.5
205.06517	2.6
205.08473	1.8
206.07245	1.6
207.08064	1.4
209.09641	1.0
211.07533	1.7
219.08052	2.5
220.08852	1.0
221.05998	4.6
222.06757	5.4
223.07674	1.6
224.08311	1.6
225.09204	1.7
231.08051	1.0
233.05919	1.5
234.06792	2.8
235.07655	2.2
237.09200	5.8
239.07124	1.4
240.07664	0.9
243.08064	1.1
247.07739	1.6
248.08220	2.4
249.09109	2.9
251.07016	1.3
253.08647	2.6
259.07642	1.1
261.09158	2.4
263.07071	1.0
265.08624	16.9
266.09064	2.2
267.06570	1.0
267.10223	3.7
268.07391	1.2
270.08600	1.0
271.07465	1.3
277.08511	4.6
278.09201	1.1
279.10056	1.6
282.08990	1.1
283.03040	0.9
283.09671	3.4
284.03186	1.2
285.11240	9.4
289.05957	1.0
291.10101	2.3
294.08862	1.7
295.09848	1.5
296.10153	1.3
297.11212	25.1
298.11462	1.6
299.06134	8.2
300.06256	8.5
301.05814	2.0
303.10187	3.1
304.36575	1.0
306.08771	0.9
309.11176	7.6
311.12903	0.8
319.10931	1.2
321.11273	3.0
323.12903	2.1
327.12219	1.2
335.12936	2.0
339.12277	1.2
341.13834	3.8
344.97653	1.0
353.13843	1.9
367.13220	1.0
379.13705	1.0
395.12790	1.0
416.03540	1.5
427.15631	2.9
439.15536	2.6
459.18066	4.2
471.17950	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	537.3188
Annotation	Arg Ala Tyr Lys
Peak:m/z	Relative Intensity
52.26545	0.5
55.05502	1.3
57.07077	0.7
67.05496	1.2
69.07048	1.8
69.69510	1.7
73.04739	1.1
79.05473	0.8
81.07066	2.9
83.04957	0.6
83.08595	1.1
85.06539	0.8
91.05760	2.3
93.07015	2.2
95.08604	3.3
95.56691	0.6
96.08911	0.6
105.06992	2.0
107.08587	2.9
108.08922	0.7
109.06483	0.7
109.10117	2.4
119.08517	1.7
120.08868	0.8
121.10117	2.6
122.10417	0.8
123.08070	0.7
123.11704	1.8
131.08556	0.8
133.10057	1.5
135.11633	2.3
135.19243	0.5
136.11996	0.7
145.10162	0.8
147.08032	0.6
147.11639	1.4
148.11896	0.9
149.09526	0.6
149.13205	0.7
159.11658	0.9
163.11319	0.6
163.14699	0.6
167.05498	2.2
168.05803	0.8
176.15079	0.6
184.22711	0.5
185.13214	0.6
187.14775	0.7
189.16241	0.7
203.17928	0.8
225.04199	0.6
242.20738	0.5
248.57401	0.6
249.15137	0.5
255.13530	0.9
256.14285	1.2
257.15213	1.0
266.99725	0.6
267.16959	0.5
288.13159	0.7
299.06213	2.7
300.06107	1.4
301.05966	0.9
301.81757	0.6
344.97580	0.8
345.97617	1.0
355.18585	1.5
360.02963	0.8
370.21237	0.7
394.31757	0.6
414.33859	0.6
416.03165	0.6
432.79019	0.5
459.28259	0.6
474.35303	0.7
477.29379	2.1
493.32700	1.0
537.31500	100.0
538.31677	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	537.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53159	1.7
53.03949	3.4
55.01868	4.8
55.05505	10.7
57.03446	2.2
57.07055	2.3
65.03952	3.4
67.05503	20.0
69.03434	4.5
69.07059	12.2
70.06597	4.4
71.04993	5.1
73.04768	4.3
79.05486	19.4
81.07059	38.2
83.04972	6.9
83.08623	4.3
85.02933	3.0
86.09718	5.0
88.27072	2.0
91.05442	29.0
93.03437	2.5
93.07045	39.0
95.04969	13.6
95.08619	31.6
97.06522	5.0
97.19141	1.9
99.04451	2.1
103.05478	4.0
105.07037	70.7
106.07361	2.3
107.04970	4.8
107.08604	40.2
109.06525	8.7
109.10150	15.1
110.07190	2.4
111.08078	2.8
113.06023	4.1
115.05452	4.7
116.06219	2.4
116.47782	2.2
117.07050	20.1
118.09651	2.0
119.08591	65.4
120.08097	4.3
121.06516	15.5
121.10153	18.5
123.08118	8.9
123.11668	2.5
125.09679	4.0
128.06232	9.8
129.07010	14.7
130.07794	6.5
131.04977	5.1
131.08569	64.2
133.06442	5.0
133.10135	31.1
135.08076	14.3
135.11688	8.0
136.07603	2.5
137.06006	14.3
137.09660	5.9
141.06993	4.5
142.07787	15.8
143.08568	48.5
144.09348	5.1
145.06508	4.1
145.10124	100.0
146.10466	3.0
147.08070	20.8
147.11685	22.8
149.06009	4.0
149.09662	6.6
149.13281	7.4
153.07030	3.3
154.41806	2.1
155.08548	17.0
156.09312	12.8
157.06393	3.5
157.10143	48.4
158.10953	5.9
159.08115	5.6
159.11685	50.1
161.06015	2.9
161.09604	25.0
161.13255	20.0
163.07486	2.8
163.11198	6.6
163.14896	2.9
165.12766	2.5
167.05588	5.1
167.07065	3.7
167.08502	2.7
168.09399	3.4
169.10130	24.1
170.10910	7.7
171.11693	33.0
172.12375	2.6
173.09636	6.1
173.13264	49.3
174.90498	2.4
175.11195	9.9
175.14838	18.2
177.05533	2.3
177.12794	3.6
180.09396	3.1
181.10097	4.7
182.10921	4.2
183.11697	24.6
185.13272	69.6
186.13440	2.2
187.11212	6.4
187.14816	46.4
189.09158	3.3
189.12747	24.3
189.16380	4.9
191.14259	12.3
195.11719	5.7
197.13243	19.5
199.11310	2.7
199.14836	44.8
200.15277	2.3
201.12743	21.4
201.14525	2.3
201.14850	2.2
201.16417	16.8
203.14336	48.7
204.14583	3.2
205.08676	3.4
205.12160	3.4
205.15923	6.6
206.43842	2.1
209.13243	5.6
211.14771	13.5
213.12721	5.3
213.16412	12.7
215.14354	15.7
215.18063	2.9
217.12337	2.7
217.15849	17.3
219.13823	19.3
219.17422	2.1
221.15388	9.1
222.23444	2.0
223.14864	6.4
225.16389	5.1
227.14418	4.3
227.17906	3.8
229.15891	8.6
231.13844	6.6
231.17531	3.6
233.15364	6.1
237.16563	2.9
239.18044	4.6
241.15544	2.1
243.17380	3.2
245.15485	5.8
247.16928	4.9
261.14862	2.8
278.09012	2.9
299.06259	5.0
300.06259	9.2
357.13461	6.1
373.29108	2.4
377.28387	3.3
389.28534	13.1
391.29846	3.1
401.28333	8.4
403.29874	4.1
407.29675	14.7
417.27881	5.2
419.29361	13.3
421.31238	3.8
425.30554	3.9
429.27866	4.8
435.29117	15.4
437.30258	10.2
447.29230	10.9
453.30176	6.3
455.31537	5.1
465.29800	18.3
471.31113	58.3
473.32684	2.8
483.30908	17.1
501.32132	48.2
502.32385	3.8
519.32990	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	537.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.9
53.03941	3.1
55.01867	2.3
55.05508	8.9
57.03453	1.8
67.05508	15.6
69.03411	8.8
69.07069	11.1
70.06588	3.3
72.08125	2.0
73.04745	3.8
79.05492	20.5
81.03424	3.0
81.07058	32.2
83.04960	3.2
83.08608	2.7
84.04513	1.9
84.08144	2.4
85.02901	5.7
85.06561	2.7
86.09701	3.2
91.05453	27.7
93.06467	2.1
93.07042	32.2
95.04958	9.4
95.08605	34.2
97.06529	4.0
97.10159	1.4
103.05451	4.3
105.07029	63.2
107.04930	3.5
107.08593	29.7
109.06516	7.2
109.10162	12.9
111.04445	1.8
111.08086	4.2
113.06023	3.3
115.05446	3.3
117.07018	15.9
119.04975	2.3
119.08580	61.7
119.09443	2.9
120.08113	3.9
121.06499	16.9
121.10140	15.8
122.03556	1.5
123.08084	8.4
123.11716	3.9
128.06236	8.0
129.07005	16.7
130.07796	5.0
131.04930	6.6
131.08563	63.3
132.08910	2.3
133.06467	6.3
133.10129	32.2
134.10452	1.9
135.08066	17.9
135.11685	8.8
137.05966	17.3
137.09616	2.2
141.06978	4.5
142.07755	13.6
143.08556	42.7
144.09308	6.4
145.06476	4.3
145.10121	100.0
146.07199	1.6
146.10463	2.5
147.04367	2.4
147.08058	20.5
147.11681	17.9
149.04420	1.9
149.05974	3.0
149.09636	7.0
149.13248	3.9
151.03909	2.8
151.07547	1.8
155.08559	12.1
156.09334	12.4
157.10124	47.3
158.10860	5.9
159.08038	7.2
159.11687	54.3
160.08797	2.1
160.12088	3.2
161.05975	2.7
161.09621	30.1
161.13243	18.7
163.07523	3.5
163.11168	5.3
163.14816	4.3
165.05498	2.9
165.09106	4.0
167.05560	4.4
167.07053	3.7
167.08514	2.9
168.05453	1.7
168.09352	4.2
169.10144	15.1
170.10909	7.6
171.08098	2.2
171.11670	30.2
172.08904	1.6
172.12308	1.6
173.09566	5.1
173.13264	61.4
174.10292	1.6
174.13670	1.8
175.07632	2.7
175.11197	9.0
175.14825	19.6
177.05525	2.8
177.09102	2.1
177.12704	4.8
177.16412	2.3
179.07034	1.8
179.08655	1.5
179.10577	1.3
181.10130	3.7
182.10941	4.0
183.10173	3.4
183.11678	27.7
184.12234	1.8
185.09673	2.3
185.13254	69.5
186.13586	3.0
187.11247	6.8
187.14815	55.9
188.15176	2.5
189.12735	30.0
189.16388	5.7
191.14330	14.4
193.15858	2.0
195.11705	6.3
196.12442	3.1
197.13254	18.2
199.11179	3.7
199.14816	48.9
200.15042	1.9
201.12766	19.7
201.16403	14.9
203.07008	1.5
203.14304	58.0
204.14644	3.1
205.12286	2.8
205.15921	7.5
207.11714	3.5
209.13268	6.4
211.14790	11.7
213.12762	4.9
213.16376	10.2
215.14342	16.1
217.12300	2.4
217.15842	24.0
219.11850	2.7
219.13783	15.9
219.17337	2.3
221.15340	12.6
223.14819	3.4
225.16402	2.5
227.14241	3.5
227.17969	4.4
229.15877	10.3
231.13881	5.8
231.17375	3.1
233.15417	4.9
235.16949	2.9
237.16548	2.4
239.17952	2.4
241.15884	2.7
241.19463	2.4
243.17441	2.3
245.15321	5.8
247.16936	3.0
253.19688	2.1
259.17126	1.8
263.16412	3.2
275.18057	1.9
281.18851	1.9
291.21243	1.6
299.06223	5.3
300.06198	5.0
314.55411	1.8
323.23560	2.3
345.97626	2.3
347.23691	1.8
357.13510	2.1
371.27451	3.1
373.28955	2.8
377.28134	2.8
383.27164	2.6
389.28427	15.3
391.29840	4.6
401.28381	8.4
403.30023	3.1
407.29370	16.8
408.29431	2.1
409.30832	1.9
417.27856	4.3
419.29425	14.7
420.29535	2.6
421.31119	2.2
425.30695	7.9
429.27905	3.5
435.28949	22.0
436.29340	1.7
437.30411	13.7
447.28757	10.2
453.30093	8.8
454.30539	1.7
455.31384	5.6
465.30096	15.0
471.30975	29.5
472.31354	2.5
473.32504	2.2
483.31290	16.0
493.16864	2.3
501.32098	25.6
502.32477	3.8
519.33203	4.0
537.15179	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	537.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72598	0.3
55.05491	0.5
58.29993	0.3
67.01862	1.0
67.05500	0.5
68.99793	1.0
70.06580	0.3
79.05483	0.8
81.03421	0.6
81.07055	0.9
83.69796	0.4
89.03954	0.4
93.07045	1.0
95.08605	0.6
97.46802	0.4
103.05438	0.7
105.07021	1.1
107.08597	0.8
109.02893	0.5
111.92933	0.4
116.85437	0.4
117.07000	0.5
119.08554	0.6
121.10196	0.4
123.99464	0.4
131.04916	1.2
131.08566	0.9
133.10181	0.5
135.04430	2.8
136.04756	1.1
137.02350	0.8
137.05052	0.5
137.05989	2.5
138.02696	0.4
140.92143	0.4
145.10109	0.6
147.11737	0.5
151.62054	0.4
152.60478	0.4
153.01831	8.1
154.02158	3.1
155.02304	2.0
161.02257	0.7
161.05952	0.4
161.13396	0.4
163.07610	0.9
166.22507	0.4
167.05577	0.9
171.02873	0.7
171.11621	0.4
173.13257	0.9
179.03430	0.8
185.13266	0.8
187.14790	0.7
199.14774	0.5
203.14336	0.7
207.21388	0.4
241.04942	0.4
242.05385	0.4
287.05499	82.3
288.05832	68.5
289.06049	100.0
290.06296	3.5
299.06021	0.9
300.06296	0.7
389.28516	0.6
407.29419	0.4
410.85214	0.4
435.29004	0.5
442.01004	0.5
450.10925	0.6
451.11301	1.3
471.30994	0.6
537.11267	4.7
537.18439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19165	0.4
55.05516	0.8
57.07074	0.6
63.41288	0.5
67.05508	1.4
69.03425	0.6
69.07077	1.8
69.16942	3.6
77.26376	0.4
79.05494	0.8
81.07065	3.2
83.05010	0.8
83.08622	0.8
84.10395	0.5
93.07071	2.1
95.04990	0.5
95.08617	3.0
97.02907	1.2
105.07053	1.5
107.08614	2.0
109.06522	0.7
109.10172	3.3
111.04488	1.0
111.08091	0.6
119.08585	1.3
121.06531	1.0
121.10156	1.2
123.08076	0.7
123.11699	0.9
125.09672	0.9
133.10176	1.6
135.08011	0.6
135.11687	0.8
137.09598	0.6
137.13271	0.8
139.03934	0.5
139.27922	0.4
145.10167	0.7
147.11713	0.9
151.11267	0.7
157.10164	0.6
161.14551	0.5
167.05666	0.5
167.07184	0.4
171.11627	0.5
189.12726	0.6
191.10580	0.6
241.65384	0.4
263.12613	1.6
282.27954	1.6
298.75919	0.5
380.30423	0.5
449.34338	0.5
477.33670	2.8
491.35156	2.0
537.35516	100.0
538.35901	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	538.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03955	0.6
55.01872	3.7
57.03428	1.3
61.02918	0.9
69.03432	3.3
70.06598	0.6
71.05004	1.6
71.30901	0.4
73.02910	0.8
73.04753	0.5
79.05499	0.8
81.03432	1.9
83.01343	1.9
84.08134	0.5
85.02905	11.2
86.09694	0.5
87.04459	0.9
91.05842	0.4
95.04959	1.2
97.02900	2.6
99.04475	0.9
101.02382	0.5
105.04491	0.3
107.04951	100.0
108.05284	2.1
109.02876	1.3
109.21124	0.3
111.00804	2.2
112.16943	0.3
115.03952	1.8
121.02917	0.3
121.06509	1.1
127.03918	2.4
129.01830	2.5
131.05927	0.3
133.04901	0.4
137.02319	0.7
137.05968	1.8
143.03368	1.9
145.04935	2.0
147.04407	0.5
149.06010	1.0
153.05455	0.5
157.01328	0.9
161.04466	1.0
163.03886	0.6
167.05614	0.4
167.07033	0.7
169.05025	0.3
171.02904	3.2
179.07053	1.1
187.06071	0.7
189.03926	3.0
205.07100	1.3
227.07011	0.3
263.09164	0.4
281.60391	0.3
295.08102	0.6
299.06207	0.8
301.05942	0.8
305.06628	0.6
323.07608	42.1
324.07919	2.0
341.08673	15.0
342.09106	0.6
347.07343	0.4
358.47156	0.3
403.86218	0.3
484.60413	0.3
538.28107	0.3
539.13879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05511	4.5
55.73605	0.8
57.03435	3.4
61.02896	1.1
65.03949	6.5
68.99785	1.8
69.03429	3.7
70.06608	2.2
71.04988	0.8
71.22611	1.6
73.02909	1.2
73.04745	1.6
73.80151	0.8
74.86463	1.0
75.39798	0.8
80.33543	0.9
81.03422	2.6
83.04980	6.4
84.08153	1.5
85.02909	31.9
86.09715	1.9
91.05829	1.6
93.03413	3.5
94.92518	0.9
95.01329	6.2
97.02876	4.2
99.04467	1.3
107.04987	5.6
109.02877	7.0
110.07180	1.0
111.04451	31.4
113.02376	2.6
115.03973	1.2
117.01895	0.9
121.04002	3.2
125.02354	1.4
125.06013	1.1
127.03920	12.6
129.10213	1.9
131.04901	1.7
135.04486	1.3
136.07521	1.1
139.03905	85.2
140.04709	5.6
141.01849	1.1
141.05457	9.1
143.03423	1.8
145.04955	15.3
147.04416	1.9
151.03912	1.2
153.05518	2.4
155.03410	11.5
156.04178	16.0
156.07394	0.8
163.03917	2.4
167.05582	2.5
167.06923	0.9
169.04985	23.4
170.05759	50.7
171.06532	100.0
172.06894	3.2
173.04462	1.3
177.05513	3.1
179.03400	1.3
179.07050	1.3
181.04958	4.4
189.04024	1.7
191.05487	2.1
193.05006	1.5
195.06506	3.2
205.04997	2.8
207.06479	1.4
209.04445	2.9
209.08105	2.6
221.04489	1.5
235.02425	2.1
237.07558	7.6
249.04015	2.7
265.07047	6.0
267.04840	4.6
268.99588	1.1
279.08597	2.8
283.08069	7.2
297.09698	7.5
299.06216	1.9
300.06180	1.7
301.05853	5.7
309.06049	22.2
310.06778	1.2
323.07541	2.1
327.07126	56.2
328.07410	2.4
341.08435	1.0
359.09738	27.5
370.75876	1.2
383.87775	1.1
417.03589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45249	0.8
53.03952	8.7
54.22851	0.9
54.23339	0.7
55.01875	8.3
55.05515	1.7
56.35670	0.9
57.03438	6.8
60.43126	0.9
61.02938	5.2
63.41182	0.8
65.38290	0.8
67.05502	2.1
68.99790	3.7
69.01581	3.2
69.02003	6.1
69.03432	29.0
69.07053	0.9
71.04998	5.7
73.02919	9.6
73.04742	2.8
77.07240	0.8
79.05499	3.0
81.03421	32.0
81.07065	4.8
83.04976	0.9
83.08639	1.1
85.02909	100.0
85.06516	1.3
86.03250	1.4
87.00296	2.1
87.00833	37.6
91.03959	2.2
91.05787	3.4
93.07059	5.8
95.04996	1.2
95.08618	2.0
97.02898	33.8
97.06522	0.8
99.02699	2.5
99.04459	18.1
100.11241	2.6
105.01869	45.2
105.07066	2.2
107.08571	3.7
108.04478	1.7
109.02885	41.0
109.06510	0.9
109.10149	1.2
113.04231	5.2
115.03922	1.6
117.01812	4.3
119.08591	1.3
121.10145	2.9
123.08102	1.1
127.03921	78.8
127.05782	6.8
129.01842	3.7
131.08499	1.6
135.08058	0.9
137.06015	3.7
137.13120	1.2
145.04962	39.4
145.10098	0.9
147.02896	5.4
149.13283	2.9
155.08899	2.9
157.28304	0.8
159.02893	25.8
167.05560	4.0
167.06889	1.2
177.03979	2.3
183.12039	34.7
184.12234	1.3
189.03967	1.8
196.07828	1.1
199.14696	0.9
209.10057	1.6
209.13272	5.7
213.03955	5.7
227.11063	1.1
229.08965	3.0
230.06877	1.0
231.04997	24.7
245.11919	1.3
247.35654	1.0
248.07748	1.1
249.06102	5.5
255.10454	2.6
266.99854	1.0
272.17325	0.9
279.95551	1.0
290.14117	1.0
299.06152	4.1
300.06125	1.6
301.05783	5.7
346.97507	1.2
375.27042	1.0
417.03516	1.2
504.34875	1.1
551.68652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05502	0.6
61.02899	0.6
66.12326	0.5
67.05511	0.6
69.03423	1.6
69.07054	0.5
71.04976	0.7
71.11130	0.6
72.92249	0.6
75.38667	0.5
78.41982	0.5
79.05489	2.0
81.03402	1.0
81.07063	1.4
85.02900	4.2
86.03278	0.6
91.05460	4.6
93.07040	2.3
94.04193	2.3
95.04964	1.3
97.02872	1.4
103.05475	2.6
105.07036	6.3
107.04932	0.8
107.08599	0.7
109.06519	1.9
115.05442	2.3
117.07003	1.7
119.04968	0.8
119.08582	2.3
121.06508	3.0
122.03674	5.4
127.03924	1.1
128.06252	1.0
129.06973	2.3
131.04924	2.0
131.08522	0.6
132.05717	1.4
133.06503	3.8
133.10089	0.6
137.05980	100.0
138.06332	3.4
143.04982	0.7
145.04951	0.8
145.06480	2.4
145.10197	0.6
147.04384	1.5
147.08031	2.8
149.05945	4.7
151.07373	0.5
153.01822	2.0
154.02118	0.7
155.04976	1.2
159.08107	1.3
160.05180	1.4
161.05991	17.7
162.06761	2.0
163.07516	1.5
167.07059	0.7
171.02875	0.8
172.05170	0.7
173.05963	0.9
175.07552	26.0
176.07901	1.2
177.09131	0.8
179.06953	1.2
185.05956	0.6
187.07547	6.6
189.09016	0.7
190.07817	1.4
191.08572	4.3
193.08624	5.0
194.08890	0.7
199.07535	3.8
202.07808	1.3
203.08543	1.5
205.06728	0.5
205.08580	2.9
208.08749	0.9
213.46678	0.5
217.08450	0.9
218.07205	1.1
219.08070	6.2
220.08704	1.0
231.08072	2.6
236.08344	1.8
237.09113	0.7
247.07603	3.5
248.08266	1.3
249.09172	0.6
251.10689	10.1
253.08636	1.2
259.07584	1.3
260.08228	1.1
263.10614	1.3
264.07813	1.0
265.08438	0.7
277.08578	0.7
279.10153	8.9
280.10657	0.7
281.08130	0.8
283.09921	0.6
290.07294	1.1
291.10086	4.5
292.10788	1.3
296.10602	0.8
297.10938	0.6
309.11133	1.3
311.12769	22.9
312.13138	1.5
323.12778	8.2
329.13867	4.5
341.10242	0.6
341.13895	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01891	2.0
67.05508	1.3
69.03442	2.3
69.29353	4.4
69.29779	3.2
77.37680	0.8
79.05498	3.2
81.07072	3.7
85.02908	7.1
91.05499	3.5
93.07078	1.2
94.04187	2.2
95.08585	1.5
97.02909	2.1
97.06540	1.1
103.05486	3.4
105.07026	8.7
107.04984	1.1
107.08585	0.9
109.02914	1.3
109.06490	2.4
115.05466	2.4
119.04834	1.1
119.08668	1.2
121.06509	2.2
122.03648	6.0
127.03905	1.9
129.07048	2.9
131.04945	3.6
131.05942	1.2
133.06493	6.3
137.05975	95.0
138.06343	4.0
145.04892	1.3
145.06456	1.1
147.08070	2.2
149.06020	3.0
149.41550	1.1
151.07516	2.2
155.04955	2.8
159.08020	4.9
160.05238	1.8
161.05966	20.1
163.07538	1.8
172.05182	1.7
172.28755	1.1
175.07552	14.1
176.07854	1.1
187.07542	15.4
188.07948	1.9
189.07066	2.1
189.09113	2.0
190.07790	7.9
191.08554	24.5
198.62367	1.1
201.09079	1.1
202.07822	1.2
203.08574	1.9
205.06424	1.1
207.07974	1.8
208.08870	1.7
218.07254	7.7
219.08054	31.4
220.08727	4.1
229.07489	1.5
231.08069	3.1
233.09610	1.1
235.07480	1.7
236.08360	5.5
246.06815	1.2
247.07599	11.6
248.08260	1.9
251.10677	63.8
252.10999	3.9
253.08688	1.5
259.07660	1.9
261.09265	1.6
262.14371	1.1
263.10675	2.4
264.07773	2.8
264.14316	0.9
279.10162	50.7
280.10602	5.1
281.08130	2.9
291.10242	3.8
292.10391	1.1
296.10486	3.3
311.12766	100.0
312.13086	5.3
323.12848	7.1
329.13608	1.8
342.14291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.05508	2.3
57.03427	1.6
59.78076	1.4
65.03927	2.0
67.05494	3.5
69.03430	5.1
69.07073	2.1
69.10989	11.4
69.11401	2.9
71.04984	2.1
79.05489	3.7
81.03416	2.4
81.07055	13.5
83.04961	1.7
85.02920	9.9
85.06544	2.5
91.05473	6.3
93.07059	5.9
94.04230	2.0
95.04972	2.3
95.08612	5.1
97.02902	3.4
97.85442	1.6
99.08069	3.1
100.11217	1.4
103.05482	3.3
105.07018	7.0
107.08602	5.3
109.06516	3.2
109.10147	3.2
110.09661	1.6
115.05445	6.8
117.07045	3.3
117.91913	1.2
119.08585	3.8
121.10169	4.3
122.03666	4.7
125.09591	1.7
127.03924	1.9
127.07549	1.5
129.07048	6.8
131.04930	6.3
131.08566	1.7
133.10141	6.4
137.05978	84.0
138.06352	4.2
143.04930	10.2
143.10683	2.8
144.05643	2.0
145.04938	2.4
145.06508	3.6
145.10126	4.5
147.04317	1.6
147.11685	2.1
151.11214	3.8
153.05464	2.7
157.06525	5.9
159.10204	3.0
159.11667	2.8
160.05196	14.3
161.05946	5.2
161.13297	2.2
163.07524	1.6
172.05206	3.0
172.41034	1.4
174.06772	1.6
175.07547	100.0
176.07901	4.8
179.07025	2.8
179.14348	1.6
187.07533	31.7
189.09123	6.2
201.16357	3.9
204.85490	1.6
205.08615	18.5
210.62938	1.6
211.07376	1.8
217.08615	2.1
219.08134	2.0
219.17538	1.9
231.08017	2.5
235.09654	16.6
237.09064	1.6
237.18475	2.8
247.07558	2.4
248.08498	1.9
259.07465	1.5
271.09552	3.4
279.10239	2.9
283.09567	1.9
288.05710	2.1
290.06311	2.3
291.10046	4.5
311.12646	2.9
323.12756	5.2
341.13867	3.3
391.78113	1.5
407.89026	1.6
423.92380	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.6
55.01882	3.6
55.05510	3.6
61.02927	1.8
62.27904	1.5
67.05506	7.0
69.03434	9.1
69.07068	4.1
69.32246	3.4
69.32650	8.4
70.06629	2.8
71.04990	13.0
72.08719	1.5
79.05508	5.1
81.03410	3.4
81.07058	13.1
83.04971	1.6
85.02905	10.0
85.06569	2.5
86.09727	2.0
91.05489	5.5
93.07066	9.4
95.04972	5.1
95.08620	7.2
97.02907	4.7
97.06548	2.1
99.09167	1.7
103.05530	2.1
105.07036	14.9
107.04904	4.1
107.08589	8.6
109.06526	5.7
109.10178	5.8
115.05464	5.3
117.07035	3.1
119.04908	1.6
119.08588	8.8
121.10150	6.0
122.03652	5.3
123.04495	2.2
123.11709	2.9
125.09608	4.6
127.03909	2.3
127.11164	10.3
129.07005	3.5
131.04921	3.5
131.08607	3.4
133.06529	5.6
133.10139	16.7
135.11710	4.1
137.05977	100.0
138.06314	5.3
143.04890	4.5
143.10678	3.3
145.04955	2.7
145.06502	2.3
145.10147	6.7
147.11693	3.3
151.07542	2.1
151.11198	10.5
155.10692	5.3
157.06528	2.9
159.08047	1.8
159.11717	4.2
160.05240	7.9
161.05977	15.5
161.13269	1.8
163.07542	3.0
172.05228	1.8
175.07550	54.7
176.07968	2.2
187.07562	24.5
189.09123	4.7
190.07855	3.6
191.08572	7.5
199.07584	3.7
202.07755	2.4
203.08562	2.9
203.17976	2.1
205.08595	10.3
210.57982	1.7
217.08598	2.6
218.07364	2.9
218.85718	1.9
219.08046	17.2
219.17464	4.8
231.08095	4.3
235.09590	10.0
237.18483	20.7
239.86101	1.6
247.07574	7.7
251.10687	26.3
260.08334	1.9
261.09204	2.2
263.10803	2.4
279.10172	23.8
280.10794	3.3
288.05865	3.9
291.10092	4.2
299.06293	1.9
301.06046	2.0
306.83932	1.7
311.12741	40.1
312.12982	3.2
323.12796	5.6
341.13947	4.1
346.97147	2.1
438.01846	1.8
502.18811	1.9
538.25598	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	538.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.0
67.05504	12.6
69.03438	13.1
69.07072	13.2
69.80825	29.9
70.40903	6.2
71.04991	10.5
79.05473	14.0
81.03419	9.3
81.07068	44.5
83.04979	9.1
85.02900	19.7
85.06548	12.0
87.00838	12.3
87.16914	6.3
91.05479	25.8
93.07041	34.6
95.04959	10.3
95.08630	38.4
95.09148	6.3
97.02903	10.1
97.06538	8.1
105.01877	8.3
105.07001	32.8
107.08611	25.0
109.02885	8.8
109.10130	30.6
117.06989	9.4
119.08588	22.4
121.10137	23.8
123.08093	7.4
123.11711	11.9
125.09631	16.7
127.03902	15.5
131.08569	17.1
133.10129	100.0
135.11688	25.9
136.14447	6.0
137.05934	8.0
139.11206	6.7
140.10736	6.2
143.10657	21.5
145.10118	19.6
147.11691	16.8
151.11136	7.1
152.02773	5.8
153.12781	12.8
159.11702	18.3
161.13277	12.4
191.17978	10.9
200.71909	6.7
201.16377	27.0
212.92052	6.0
219.17401	29.6
237.18460	54.5
539.27863	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	538.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05128	6.3
54.95799	6.3
55.05512	8.6
59.05001	8.8
59.14220	5.9
66.06118	6.1
67.05507	17.2
69.00753	73.0
69.07055	13.8
71.05006	10.5
73.36460	6.3
79.05487	19.1
81.03432	7.1
81.07059	54.9
84.08479	6.6
85.02901	15.8
85.06518	14.0
87.04467	9.5
88.62238	6.7
88.74274	6.5
91.05461	22.3
93.07046	33.4
95.04957	7.0
95.08607	43.5
97.02889	9.2
97.06522	7.5
99.08116	13.8
105.07011	26.8
107.08589	35.6
109.10164	13.7
111.08112	8.0
113.09674	7.1
119.08593	20.3
121.10135	11.7
123.08057	17.4
123.11715	7.2
133.10110	28.3
135.11684	21.6
137.05988	68.9
141.09097	27.7
143.04898	9.1
143.10672	11.2
145.10109	21.1
153.01868	12.6
159.10205	73.9
159.11572	14.2
160.05168	7.5
161.13298	18.3
166.08672	12.9
171.66769	6.7
175.07539	58.5
187.07582	20.4
201.16417	9.6
206.57526	6.4
219.17308	12.2
237.18565	16.9
279.47598	7.5
287.05457	37.5
287.33270	6.6
288.05856	100.0
289.06070	91.8
290.06302	75.3
291.10291	8.0
315.48901	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	539.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01863	0.7
59.21784	0.2
69.41891	0.8
69.42294	0.4
70.06567	0.2
79.05500	1.8
85.02899	0.4
91.05470	1.0
94.04201	0.2
95.04940	0.2
98.22493	0.2
103.05469	2.3
105.07035	14.5
106.07368	0.3
115.05469	3.5
118.04173	1.0
131.04909	0.8
133.06497	13.4
134.06807	0.3
135.27051	0.2
137.05975	0.8
138.06236	0.2
142.04935	0.2
143.03188	0.3
143.04974	0.5
143.06065	1.4
161.05988	21.0
162.06406	0.3
167.03178	0.3
184.04991	1.1
185.04224	28.1
186.04517	0.5
193.08615	7.8
194.08969	0.4
203.05289	7.5
215.06808	2.7
229.24371	0.2
261.08267	0.3
347.09494	100.0
348.09778	4.2
486.22870	0.2
507.27423	0.2
519.76093	0.2
539.17303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03435	0.3
67.05507	0.4
69.03417	0.7
70.06588	2.4
70.68148	0.4
70.68505	0.6
71.05009	0.4
78.64288	0.4
79.05492	2.1
81.03397	0.4
81.07032	0.5
84.04479	0.3
85.02902	0.5
86.09693	0.6
90.04672	0.3
91.05481	0.9
95.04965	0.6
103.05475	2.3
105.07027	14.5
106.07387	0.5
115.05448	3.6
115.65284	0.4
118.04161	1.2
120.08101	0.5
121.06470	0.5
121.43935	0.3
131.04906	0.7
133.06490	13.9
134.06793	0.5
137.05971	7.4
138.06331	1.7
138.09177	0.4
143.06036	1.3
151.03911	0.4
161.05980	17.4
162.06358	1.0
163.07603	0.5
166.08661	0.4
167.05577	0.4
167.07028	0.6
172.03960	0.5
175.07495	2.0
176.07889	1.0
181.04942	0.6
184.04987	1.7
185.04210	25.6
186.04579	0.6
187.07535	1.0
188.08020	0.4
191.08464	0.4
192.08934	0.5
193.08615	5.1
193.42554	0.3
199.07472	0.5
203.05267	8.3
215.06786	3.8
219.08055	0.5
220.08504	0.9
221.61629	0.3
226.27756	0.3
229.86908	0.4
247.07536	0.4
248.07997	0.4
251.10666	0.8
252.11000	1.5
279.10040	0.8
280.10278	1.6
299.06262	0.6
300.06293	0.3
306.56393	0.3
311.12860	1.3
312.13107	1.9
324.13004	0.4
347.09473	100.0
348.09811	4.9
436.84134	0.3
486.19644	0.4
495.21631	0.8
539.17700	10.9
539.28149	1.8
540.18188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2655
Annotation	Okaramine O
Peak:m/z	Relative Intensity
55.05513	0.4
57.07081	1.1
65.86295	0.3
67.05523	0.6
69.07077	0.7
70.06602	0.6
71.08614	0.8
71.31737	0.5
79.05511	0.4
81.07051	0.8
88.07659	1.0
89.06047	0.9
91.05484	0.4
93.07038	0.5
95.08624	0.8
97.99482	0.3
102.09174	0.6
102.68305	0.4
105.07046	0.4
107.08557	0.5
109.10164	0.6
116.58367	0.4
119.08552	0.5
121.10123	0.4
127.15838	0.3
133.08614	0.5
134.93697	0.3
137.13286	0.3
147.11717	0.3
156.43402	0.3
239.14885	0.4
256.26385	2.3
275.20114	0.3
283.26297	0.5
284.29453	0.7
304.30127	0.3
311.29413	2.2
318.95364	0.4
327.20325	0.3
363.16272	1.3
377.17657	2.8
378.18378	3.3
379.19174	1.9
389.18512	0.3
391.19250	2.8
392.20023	3.8
393.15518	0.4
393.20734	9.2
394.21219	1.4
404.21194	0.4
405.20898	1.4
406.21475	2.3
407.14746	0.5
407.15915	0.5
407.22296	11.5
407.27722	0.6
408.22736	1.0
419.22580	0.4
420.23151	0.7
421.16562	1.0
421.23853	5.8
422.17242	2.3
422.23935	0.7
423.18051	3.6
424.18533	0.5
433.20111	1.6
435.18073	0.9
436.18829	2.3
437.19745	9.7
438.20517	1.8
447.21918	0.6
448.22464	1.4
451.21323	17.5
452.21841	2.1
462.24631	0.5
464.22049	0.3
465.22940	2.8
466.23651	2.8
477.26370	3.5
479.24359	0.8
479.35535	3.6
490.38101	0.3
493.25772	0.6
494.26566	0.8
495.20306	0.8
495.27417	4.8
496.27625	0.7
503.24457	1.6
509.22202	0.6
510.22672	3.3
511.22995	0.7
521.25488	2.2
524.24072	1.1
531.12024	0.3
539.26434	100.0
539.36798	46.1
540.26776	12.7
540.37061	3.8
540.53491	8.0
557.38123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29877	0.3
54.39359	0.3
55.05503	0.8
57.07064	1.1
64.01173	0.3
65.03902	0.3
67.05492	0.8
69.07049	0.9
69.68682	0.7
69.69082	0.7
70.06593	0.9
71.08614	0.8
73.02892	0.3
76.26376	0.3
79.05472	0.5
81.07072	1.8
83.08620	0.5
83.89738	0.3
88.07613	1.4
91.05489	0.5
93.07029	0.9
95.08604	2.0
101.19777	0.4
102.09177	0.9
105.06995	0.9
107.08588	1.1
109.10140	1.0
119.08585	1.3
121.10131	0.6
123.11706	0.6
130.51201	0.3
131.08612	0.5
133.10130	0.8
135.11653	0.9
143.08574	0.5
145.10106	0.6
147.11656	0.8
157.10124	0.4
159.11632	0.6
167.14307	0.6
168.14644	0.4
177.16318	0.4
184.07407	0.7
187.14754	0.3
189.16377	0.9
190.16776	0.5
209.13274	0.4
211.10898	1.0
249.18443	0.4
250.18793	0.4
256.26358	2.5
283.26306	0.9
311.29495	2.2
435.31976	0.4
443.29086	0.6
461.29987	1.1
479.30960	3.1
480.31195	0.4
503.31277	0.8
521.32098	1.7
539.33221	100.0
540.33624	11.2
540.53381	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	539.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05488	1.4
57.07063	1.6
59.90704	0.5
63.60733	0.4
64.64641	0.4
67.05483	1.4
69.07053	1.6
69.70449	1.6
71.08619	0.9
75.27098	0.5
79.05473	1.6
81.07069	3.3
83.08593	1.2
85.06531	1.3
91.05463	1.5
93.07024	2.0
95.08614	4.2
102.09127	0.6
105.07045	2.2
107.08609	4.1
109.10164	2.9
111.08047	0.5
117.07011	0.5
119.08589	3.6
121.10152	2.9
123.08011	0.7
123.11697	0.8
131.08551	1.2
133.10182	2.5
135.08049	0.7
135.11653	1.8
137.13245	1.1
139.07512	0.5
143.08493	0.6
145.10092	1.8
147.07993	0.6
147.11720	2.2
149.09508	0.6
149.13194	1.3
157.10114	1.2
159.11629	1.8
161.13318	2.2
167.05545	0.4
169.10078	0.7
171.11778	0.7
173.13211	1.3
175.14815	1.3
185.13210	1.1
187.14764	0.6
189.16307	1.1
198.05110	0.5
203.14246	0.9
205.15891	0.7
215.14064	1.3
215.17896	0.5
243.13600	0.7
251.23851	0.5
256.26215	1.9
300.06314	0.5
300.66470	0.5
311.29376	1.4
393.31543	0.5
433.25449	0.7
433.30771	8.6
434.31216	0.9
465.33481	0.7
479.31174	2.1
493.32898	38.4
494.33374	3.6
495.33932	1.5
508.59528	0.6
510.00891	0.5
521.32111	2.0
539.33105	100.0
540.33575	10.6
540.53143	3.6
557.34558	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	539.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94792	0.2
55.05497	0.3
57.07074	0.5
58.90865	0.2
65.69706	0.2
69.07072	0.4
70.05621	0.3
70.06605	0.3
71.08637	0.4
81.07053	1.0
83.08642	0.4
85.10159	0.3
88.07618	0.4
93.07063	0.5
95.08598	1.4
105.07056	0.3
107.08611	0.6
109.10180	0.7
119.08587	0.4
121.10173	0.4
123.11720	0.8
145.10176	0.3
147.11636	0.3
239.71288	0.3
256.26443	0.9
311.29532	0.7
479.35074	3.9
480.35028	0.4
539.37109	100.0
540.37439	9.8
540.53577	3.0
557.38165	4.0
558.38562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.6
57.07080	1.3
67.05521	0.7
67.59853	0.3
69.07082	1.4
69.14340	3.2
70.06590	1.2
71.08636	0.9
75.12790	0.3
79.05510	0.4
81.07064	1.1
81.94696	0.4
83.08615	0.5
88.07653	1.7
89.06030	1.8
92.19102	0.4
93.07058	0.8
95.08601	1.8
102.09194	1.1
105.07024	0.7
107.08606	1.0
109.10172	1.2
111.08112	0.5
119.08589	0.8
119.37760	0.3
121.10160	1.6
123.08092	1.2
133.08601	0.6
142.19078	0.4
147.11658	0.6
239.14737	0.4
248.43013	0.4
256.26364	3.3
283.26443	1.5
284.29654	0.9
299.20010	0.5
305.58994	0.4
311.29526	3.2
313.21750	0.5
327.20428	0.7
345.27390	0.5
471.74719	0.4
479.35019	17.1
480.35126	2.0
521.32544	0.4
529.89313	0.4
539.37189	100.0
540.37500	10.5
540.53424	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	539.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.07077	2.9
67.05495	1.7
68.19357	0.5
69.07080	0.8
70.06600	2.0
71.08617	1.7
74.75645	0.6
79.05495	0.7
81.07070	1.7
83.01102	1.1
83.04985	0.7
83.08636	0.8
84.00536	0.6
88.07624	2.6
89.06036	1.2
93.07051	1.3
95.08625	1.7
102.09203	1.8
107.08635	1.3
109.10157	0.9
119.08583	1.3
121.10170	1.8
123.11652	0.6
135.11783	0.8
137.13315	0.6
159.11780	0.8
165.09258	0.7
178.23062	0.6
203.10489	0.7
229.15639	8.7
230.16420	13.9
230.18712	0.8
231.17197	6.5
233.01036	0.6
247.16702	0.8
248.17577	1.2
249.18456	0.7
256.26373	5.2
270.18292	1.4
270.76465	0.6
271.19186	1.4
272.20013	0.7
273.18463	0.7
283.26450	2.3
284.29611	1.4
287.19958	0.6
311.29468	4.7
319.74350	0.7
331.18790	10.0
333.20468	1.0
349.20151	1.0
351.21472	1.7
479.34909	3.5
539.37152	100.0
540.37494	9.9
540.53534	10.8
557.38165	14.2
558.38568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03435	0.7
68.96396	0.6
69.03419	1.1
71.04990	0.9
71.31413	0.6
83.04949	0.7
84.08136	0.6
84.85931	0.5
85.02905	3.0
91.05476	1.3
93.07054	0.8
95.04970	0.5
97.02885	1.3
105.07002	0.7
107.08683	0.6
109.02859	0.8
115.05483	1.2
119.08517	0.5
123.30984	0.5
126.23156	0.5
127.03903	1.3
128.06221	1.3
129.07008	7.7
129.63567	0.5
131.04907	0.9
131.08546	6.3
137.05978	2.6
138.09218	0.7
141.06989	5.2
146.07204	0.7
157.06499	6.1
158.07254	2.2
159.08061	6.2
160.05194	0.9
161.09586	1.0
169.06477	2.6
170.07269	0.9
174.06763	15.9
175.07527	3.0
186.06731	2.8
188.08253	0.9
189.09099	25.7
190.09430	1.2
191.10693	2.5
201.09079	9.6
207.10181	1.0
219.10162	100.0
220.10501	3.0
263.15555	0.5
340.04144	0.6
341.51862	0.6
381.15424	2.4
438.53604	0.6
566.03326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
62.20227	1.2
68.56202	1.2
69.03442	2.7
69.27281	3.6
69.27689	4.4
75.94230	1.5
79.05495	2.9
85.02905	9.0
91.05466	10.2
95.04990	2.3
103.05501	1.6
105.07024	1.9
107.04974	4.1
109.06516	1.9
115.05503	1.8
119.04955	8.1
121.06528	2.0
122.03643	2.0
123.84924	1.3
129.06989	9.0
131.04932	6.3
131.08578	4.7
135.04414	3.4
135.08057	2.0
136.05205	2.4
137.05972	48.1
138.06364	2.3
140.74345	1.4
141.07040	4.6
143.04948	1.6
145.04984	2.3
145.06451	2.3
147.04434	6.2
149.05986	5.6
149.96375	1.4
151.07538	51.3
152.07878	2.0
157.06493	7.9
158.07341	1.4
159.08066	2.6
161.05965	6.8
161.09650	3.0
162.06784	6.0
163.03915	3.4
163.07536	14.7
165.09184	3.3
167.08594	4.2
169.06526	2.0
174.06790	8.2
175.07565	4.5
177.09138	4.2
178.07637	1.7
186.06654	1.8
189.09109	30.7
193.06480	1.9
193.10129	4.1
195.08067	9.1
201.09148	4.7
207.10112	3.4
209.09749	2.0
212.08356	1.9
219.10147	41.8
219.12117	2.5
221.05984	3.8
221.09715	5.0
223.07613	5.8
225.09187	4.2
227.10652	15.3
238.09680	1.9
249.09053	2.5
253.08630	5.5
253.12242	7.1
255.10156	16.7
267.10132	3.3
269.08099	1.8
272.10559	1.9
281.11731	3.4
285.11200	8.7
287.12759	34.9
299.12872	1.8
313.14328	31.2
314.14667	3.6
329.13855	1.8
331.15381	100.0
332.15793	5.9
334.21329	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05513	2.9
57.03455	1.6
57.69711	1.5
60.04532	1.8
61.02916	2.1
67.05506	4.5
67.21800	1.3
69.03439	4.3
69.07066	6.6
70.48103	3.8
71.01368	1.9
71.04982	3.7
79.05479	6.4
81.07052	12.2
83.04971	4.3
85.02912	8.2
85.06542	2.3
91.05473	12.7
93.07054	10.9
95.04968	18.3
95.08598	2.7
97.02869	3.0
97.06507	3.8
99.04414	2.1
101.02380	2.9
103.05495	1.7
105.07015	10.9
107.04950	3.0
107.08573	6.6
109.06529	7.9
111.08093	1.5
113.05968	2.1
117.07037	3.6
119.03443	3.6
119.04912	7.5
119.08577	5.1
121.06522	5.0
121.10126	7.0
122.03623	3.4
123.08055	1.4
125.05974	2.5
127.03900	2.0
127.07532	2.0
129.06975	5.4
131.04916	3.3
131.08580	6.2
133.06509	2.6
133.10159	3.5
135.08070	2.6
135.11713	3.2
136.07620	1.6
137.05972	43.7
138.06310	2.2
139.11189	3.7
143.03348	1.5
145.05020	2.3
145.06520	1.7
145.10129	14.5
147.04509	1.4
147.11716	2.6
149.05984	5.7
149.09639	2.6
151.03954	1.6
151.07541	49.9
152.07939	1.6
157.06496	6.1
159.11691	6.0
161.04468	8.2
161.05992	5.8
161.09653	2.3
163.07544	11.6
163.11200	5.9
164.07104	1.5
165.06975	1.7
165.09117	3.0
167.07162	1.3
167.08540	5.3
173.09625	5.8
174.06839	2.1
175.07573	4.1
177.09138	5.2
178.07887	1.6
181.12256	1.6
187.11185	8.7
189.04036	2.1
189.09091	17.7
191.10616	7.6
193.06474	2.9
193.10121	3.2
195.08046	10.2
205.12334	4.0
207.10211	3.6
209.09738	1.7
209.11589	3.1
210.06763	2.6
212.08324	1.3
215.10591	6.1
221.06009	5.7
221.09560	4.6
223.07520	5.2
224.08174	2.0
225.09109	4.6
227.10698	15.6
233.11761	3.9
240.07867	1.9
242.37753	1.6
243.08746	2.0
249.09137	2.1
251.12766	3.0
253.08597	8.3
253.12094	7.2
255.10144	15.5
256.10608	1.7
267.10229	1.4
269.08151	2.5
272.10519	1.9
278.09702	1.4
281.11679	4.2
285.11209	10.7
286.11664	1.7
287.12790	30.1
289.05652	2.7
290.05988	2.1
299.14923	3.6
309.13263	6.1
313.14331	28.6
325.23700	2.6
326.29623	1.3
327.14386	6.3
331.15375	100.0
332.15680	5.2
333.13287	2.8
343.15372	2.7
351.14288	10.6
369.15347	8.4
441.17374	1.3
451.10056	1.4
455.22202	2.0
457.17957	1.5
469.16843	4.3
481.11526	2.0
487.18323	7.7
497.23273	3.3
504.56906	1.5
505.19400	2.2
508.13516	1.5
523.21014	1.7
541.22290	15.8
541.30005	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01886	3.2
55.05506	2.7
56.55152	1.2
57.03438	1.2
60.04522	1.4
64.40997	1.1
65.86907	1.2
67.05507	4.8
69.03428	4.7
69.07072	5.5
70.47939	1.7
70.48270	2.5
71.04984	2.6
73.02931	1.7
79.05495	4.9
81.03415	1.7
81.07056	11.0
83.04995	2.3
85.02903	9.6
91.05487	13.7
93.07042	8.7
94.04148	1.4
95.04979	11.2
95.08605	4.3
97.02892	2.4
97.06548	3.7
99.04489	2.1
101.02368	2.3
103.05471	2.7
105.07024	9.6
107.04960	3.8
107.08602	3.7
109.06518	5.4
109.10175	1.8
113.06017	1.3
115.05405	1.6
117.07056	2.8
119.03435	3.0
119.04943	8.2
119.08578	4.4
121.06516	4.9
121.10156	7.1
122.03636	2.6
123.08109	1.9
125.06007	1.5
127.03876	1.3
129.07004	6.0
131.04951	3.5
131.08575	5.4
133.06508	2.2
133.10141	1.7
135.04448	1.6
135.08028	3.0
135.11696	3.7
136.05267	1.8
137.05988	44.4
137.07039	2.1
138.06390	1.9
139.11230	2.2
141.29901	1.6
143.08600	1.3
145.06531	2.4
145.10118	14.4
147.08055	1.6
147.11673	1.9
149.05954	7.3
151.03947	1.5
151.07547	57.0
157.06522	5.8
159.11731	5.6
161.04472	4.9
161.06000	6.6
163.07547	11.5
163.11194	4.4
165.07010	2.8
165.09123	2.5
167.08516	6.6
173.09639	3.6
174.06786	2.7
175.07550	4.3
177.06905	1.5
177.09117	6.0
179.08531	1.4
181.10242	1.6
181.12173	2.9
187.11139	7.5
189.03946	2.1
189.09111	18.4
191.10652	6.7
193.10127	3.0
193.12251	1.3
195.08035	9.8
205.12190	3.0
207.10219	2.9
209.09596	1.9
210.06758	1.4
212.08388	2.3
214.34210	1.4
215.10719	3.9
221.05998	4.3
221.09656	5.7
223.07550	4.9
224.08379	1.6
225.09114	3.5
227.10660	15.3
233.11618	2.4
237.09129	1.7
238.06352	1.3
240.07755	1.8
241.08508	1.5
241.12262	1.5
249.09123	1.9
251.12817	1.5
253.08694	9.9
253.12227	9.6
255.10190	15.1
265.08365	1.3
267.10153	2.9
269.08002	1.8
269.11737	1.3
275.16162	1.6
281.11731	3.7
285.11288	9.8
287.12796	30.9
288.13199	2.7
289.06003	1.8
290.06534	1.6
297.58243	1.5
299.15155	2.5
301.14282	2.3
309.13394	3.6
311.12607	1.5
313.14355	30.9
314.14624	2.7
325.23633	8.3
327.14365	4.9
331.15399	100.0
332.15933	6.5
333.13297	2.8
343.15338	3.2
343.24643	3.5
351.14584	7.8
369.15372	6.5
371.79999	1.2
424.35324	1.4
466.46582	1.5
469.17065	1.7
481.11237	3.0
487.17896	2.8
497.23486	3.8
541.22534	18.9
541.29974	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03943	0.8
55.01872	0.9
55.05516	5.5
57.03444	0.7
57.07079	18.1
58.06593	1.4
59.05003	0.6
65.03940	0.4
67.05506	12.5
69.03437	3.7
69.07074	5.1
69.18726	3.0
70.06594	14.8
71.05013	0.9
71.08636	9.4
73.02927	1.9
73.06532	0.5
74.06055	0.5
79.05494	8.3
81.03423	5.4
81.06582	0.7
81.07062	12.4
83.04974	1.5
83.08625	3.8
85.02911	2.8
85.06565	0.5
85.10185	3.8
87.04463	0.8
88.07636	19.1
89.06035	13.0
91.05483	6.8
93.07048	8.4
95.04977	1.5
95.08611	10.0
97.02909	2.8
97.06541	1.2
97.10188	2.0
99.04462	0.9
102.09187	15.1
103.03978	0.5
105.07036	5.4
106.07404	0.5
106.08672	0.6
107.04970	1.0
107.08601	4.8
108.04497	0.5
109.02879	1.3
109.06535	0.8
109.10137	5.1
111.04471	0.8
111.08083	0.6
111.11803	0.7
115.05486	0.4
117.07034	2.7
117.14333	0.4
119.08575	4.7
121.06524	0.6
121.10146	4.1
123.04384	0.4
123.08057	0.7
123.11700	1.8
125.09620	0.7
127.03934	1.2
128.06236	0.6
129.07024	1.6
131.08588	3.1
133.08611	8.7
133.10109	3.2
137.09587	0.6
137.13232	0.7
139.11269	0.5
141.06982	0.7
143.08571	2.0
145.06514	0.4
145.10138	3.2
147.08029	0.6
147.10733	0.4
147.11682	2.2
149.06026	0.5
149.13287	1.6
151.11223	0.5
154.79462	0.4
155.08607	0.8
157.10138	1.6
159.11671	2.2
161.09615	0.5
161.13272	1.3
163.11183	0.7
163.14832	0.8
169.10303	0.5
171.11714	1.3
173.09541	0.6
173.13260	2.3
175.11249	0.7
175.14844	0.8
177.11288	2.9
177.12662	0.8
183.11725	0.6
185.13318	1.1
187.14935	0.5
189.12778	0.6
191.10718	0.4
195.11658	0.5
197.13309	0.5
199.11145	0.6
207.13676	0.4
213.12724	0.4
213.16174	0.5
221.13770	0.7
239.14821	1.0
243.13965	0.4
256.26367	32.9
257.26584	0.6
259.20618	0.8
261.22186	1.5
274.27393	3.4
277.21704	0.7
283.17673	0.7
283.26318	11.7
284.26462	0.6
284.29492	11.2
289.21753	0.5
291.23373	0.4
301.21588	0.8
302.30621	1.1
303.23212	0.8
311.29437	33.6
312.29877	1.2
315.23236	0.7
327.20081	5.8
327.23315	0.5
328.20486	0.4
341.24756	0.5
351.23361	0.9
369.24313	2.6
377.49411	0.4
387.25171	1.9
405.26193	2.5
436.32736	0.4
480.35638	2.5
523.27069	0.8
540.37866	28.9
540.53522	100.0
541.37286	2.7
541.53906	5.6
565.92059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72131	0.3
56.96568	5.5
70.75289	0.7
70.98949	0.3
71.95258	1.4
86.22900	0.3
98.97583	70.2
99.97900	0.4
116.98622	45.8
117.98949	0.4
134.99660	15.8
140.00218	0.9
153.00699	1.6
154.93324	0.4
158.01183	0.3
172.94382	2.2
190.95377	3.0
197.95197	0.6
201.23053	0.3
208.96472	1.1
214.95377	2.2
232.96489	6.8
234.99794	0.5
240.98898	0.9
241.94185	0.3
243.09943	0.3
250.97572	4.4
256.96417	14.6
257.96686	0.3
258.99786	7.5
259.99954	0.9
260.22098	0.4
261.03082	0.6
265.29312	0.3
272.94482	0.5
274.97510	100.0
275.97937	2.5
276.97974	0.5
277.00824	9.7
278.01102	0.9
282.99985	1.2
284.00272	0.5
284.99783	0.5
290.95578	0.7
292.98563	65.2
293.98944	1.4
294.98959	0.4
297.99072	1.7
298.97797	1.3
301.01193	2.1
302.01178	0.7
303.00812	0.8
310.99670	0.5
314.95670	0.4
316.00308	1.4
316.98755	3.3
318.98688	0.5
327.26294	0.3
332.96689	0.8
335.00168	0.3
343.02237	0.6
356.96997	0.5
374.97849	1.6
383.00034	0.8
384.00333	0.4
390.95929	0.4
398.97604	17.0
399.97797	1.4
401.01056	2.5
402.01169	0.8
416.98688	42.9
417.98862	4.3
419.02118	0.5
434.94357	0.6
434.99805	8.9
436.00116	0.8
440.00488	1.4
440.99463	0.5
456.96674	1.1
458.99948	0.6
498.98538	0.3
522.97711	0.4
540.98907	11.1
541.99121	2.1
558.96075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.55834	0.4
67.05512	0.4
69.07066	0.6
71.30913	0.8
77.66290	0.3
79.05497	0.4
79.75362	0.4
81.03426	0.6
81.07043	0.8
81.81020	0.4
85.02909	0.9
87.00875	0.4
89.28609	0.4
93.07027	0.6
95.08614	0.6
98.97603	0.8
109.10167	0.6
118.17345	0.3
123.11739	0.6
159.11742	0.4
182.35698	0.4
185.50220	0.4
194.07536	0.4
198.83643	0.4
224.37321	0.4
265.11020	0.4
455.20581	0.5
497.21429	17.3
498.21912	1.7
531.55444	0.4
541.20483	100.0
542.20795	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21703	0.4
55.01868	0.5
55.05508	0.8
56.96586	0.6
61.97493	0.4
65.68748	0.4
67.05509	2.3
69.03436	0.9
69.07076	1.1
71.04991	1.0
72.08154	0.5
79.05503	1.0
81.03424	1.1
81.07066	2.4
83.05001	0.8
83.08644	0.6
85.02907	1.0
91.05482	1.1
93.07060	2.0
93.55669	0.5
94.90045	0.4
95.01141	0.5
95.04961	0.6
95.08625	1.6
97.02626	0.6
98.97611	0.7
105.07056	1.4
107.08612	1.9
109.02872	1.1
109.06504	1.1
109.10169	1.0
116.98626	0.5
119.08575	0.9
121.06451	0.6
121.10120	1.1
125.05919	0.5
125.09655	0.5
127.00052	0.6
127.03902	0.9
131.08601	1.2
133.06520	0.5
133.10164	0.8
135.08047	0.8
136.07655	0.5
137.06000	0.6
141.05301	0.8
145.10106	1.2
147.11728	0.9
149.09480	0.6
157.10196	0.4
161.13313	0.5
163.11151	0.5
164.07060	0.5
165.09032	0.5
169.04762	2.4
175.11124	0.8
177.09026	0.9
185.04300	0.8
193.11974	0.6
195.09929	1.2
199.05739	0.6
201.03638	0.5
203.05276	1.6
205.12027	1.2
217.12352	0.5
223.13052	1.8
243.04834	0.7
245.06377	1.8
275.16205	7.8
275.19281	0.8
289.05371	1.2
293.17255	11.9
293.20596	0.7
307.18692	0.6
313.12527	0.9
321.16519	1.1
325.23886	0.6
331.09918	0.5
361.23334	4.2
363.25131	5.6
379.24625	1.1
385.18323	2.5
427.19504	3.7
437.21408	3.1
455.22592	10.7
471.18280	1.1
479.22723	3.2
497.23608	38.6
498.23984	2.9
523.21448	5.7
524.21887	0.5
540.43909	0.9
541.22272	100.0
541.29883	58.5
542.22614	6.9
542.30280	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	541.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77468	0.5
55.05515	1.1
67.05521	2.1
69.03433	1.8
69.07074	1.0
69.40113	1.8
69.40524	1.7
73.02954	0.5
79.05522	1.0
81.03416	1.2
81.07062	3.8
83.08680	0.7
85.02914	2.2
85.06563	1.2
87.00860	0.8
91.05511	1.4
93.07066	2.5
95.08619	2.3
97.02895	1.1
97.06570	0.9
98.22646	0.7
98.80387	0.6
99.04458	0.9
105.01928	0.6
105.07088	1.4
107.08608	1.0
109.02910	1.3
109.10201	1.1
111.08111	0.7
117.07043	1.0
119.08588	1.4
121.06517	0.8
121.10207	1.1
123.08077	0.8
127.03962	1.3
129.07002	1.2
131.08566	0.9
133.10216	1.0
135.11697	0.8
137.06049	0.8
145.05133	0.7
145.10153	1.0
147.11705	0.7
175.07333	0.7
255.46719	0.6
263.19974	1.3
301.05310	66.8
302.05710	2.4
303.06873	40.9
310.08517	0.6
386.64340	0.7
497.22641	2.2
536.97125	0.7
541.26410	100.0
542.26849	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	541.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32430	0.3
57.07059	0.8
65.15346	0.2
67.05492	0.3
69.07063	0.5
70.06593	0.7
70.59591	0.6
71.08627	0.6
75.57722	0.3
88.07629	0.9
92.16367	0.2
102.09185	0.6
105.07016	0.3
142.90201	0.2
181.30096	0.2
203.05260	1.1
236.77104	0.3
256.26324	1.6
257.26608	0.4
259.08005	0.3
274.27228	0.2
280.80365	0.3
311.29440	1.6
312.29706	0.7
540.53418	1.9
541.33417	100.0
541.53845	2.7
542.33813	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	541.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
57.07080	1.2
69.07083	0.3
69.31653	1.2
70.06584	1.0
71.08630	0.9
71.40266	0.2
78.17583	0.2
81.07056	0.4
83.08632	0.2
85.10207	0.2
88.07629	1.5
95.08596	0.4
102.09186	1.0
109.10155	0.3
116.14606	0.2
135.06853	0.2
185.04279	0.3
209.78024	0.2
221.77850	0.2
256.26346	2.2
257.26709	0.8
274.27390	0.3
284.26645	0.3
284.29636	0.6
311.29413	2.3
312.29855	0.7
451.99039	0.3
468.31531	0.2
540.53583	2.8
541.33484	100.0
541.52832	3.8
542.33868	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	541.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.8
55.01878	13.5
55.05518	24.5
57.03445	6.2
57.07083	11.0
61.02932	5.6
65.00771	2.8
67.05504	34.3
68.99789	4.5
69.03427	40.7
69.07068	52.3
69.11315	10.4
69.11739	16.9
71.01343	5.1
73.02917	6.3
74.60179	3.5
75.75887	3.0
79.05511	22.2
81.03422	26.9
81.07059	100.0
82.07371	2.9
83.04982	7.7
83.08632	25.0
85.02904	58.5
85.06549	10.4
87.00830	23.3
87.04523	2.9
91.05501	15.5
93.07041	27.6
95.04974	10.2
95.08611	90.4
97.02895	28.6
97.06537	3.5
97.10179	15.0
99.04473	14.6
99.08083	7.4
103.03962	3.4
105.01878	10.6
105.07040	21.7
107.04986	4.5
107.08593	29.0
109.02893	18.1
109.06524	6.5
109.10149	61.5
111.04475	8.5
111.08096	13.7
111.11741	8.2
112.61782	3.0
115.03917	15.0
117.07029	5.4
119.08594	18.8
120.08092	6.0
121.06525	4.6
121.10152	24.5
123.04431	3.7
123.08059	3.8
123.11700	32.6
125.13284	3.7
127.03922	35.5
129.01912	4.5
131.08586	10.7
133.10141	13.9
135.08095	6.0
135.11699	19.9
137.09615	5.5
137.13243	28.9
143.08542	3.6
145.04988	12.4
145.10144	8.6
147.08072	4.6
147.11717	7.9
149.13278	20.7
151.14774	4.8
157.10152	5.5
159.02919	10.5
159.11736	7.7
161.09727	3.3
161.13271	5.9
163.11151	3.7
163.14906	4.2
165.16411	4.1
171.11736	4.8
173.13293	5.4
175.14824	6.7
177.16399	6.7
183.84119	3.1
189.12874	4.4
189.16501	4.9
205.12212	3.3
219.05028	3.9
231.05020	13.0
249.06068	5.4
291.26828	5.3
293.28372	8.7
309.49042	3.4
317.28226	3.9
359.29465	3.5
383.29242	11.2
401.30298	10.1
406.83505	4.4
455.22687	3.3
487.30286	9.3
505.31580	7.9
523.32684	4.6
541.21509	11.2
541.28217	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	541.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.9
55.01881	9.7
55.05508	26.9
57.07082	11.6
61.02931	7.3
67.05506	50.7
69.03431	64.3
69.07065	43.5
71.04998	11.2
73.02925	14.3
79.05487	21.3
81.03417	38.3
81.07060	100.0
83.04990	13.9
83.08608	20.5
85.02897	71.4
85.06546	13.2
87.00834	24.6
91.05449	27.2
93.07064	30.7
95.04974	13.1
95.08612	82.9
97.02385	6.3
97.02869	33.5
97.06509	7.5
97.10194	7.5
99.04459	15.6
105.01875	13.9
105.07034	28.9
107.08592	37.7
109.02882	26.6
109.06528	10.5
109.10162	55.1
111.08050	9.2
111.11755	7.4
115.03925	5.2
117.07006	6.2
119.08588	23.8
120.57008	4.9
121.10174	24.6
123.08079	6.6
123.11695	27.6
127.03915	62.1
131.08571	11.2
133.10176	10.4
135.08075	11.0
135.11690	17.0
137.05942	8.3
137.13281	17.4
139.07697	6.0
140.10730	7.1
141.24208	5.4
145.04979	13.4
145.10143	17.1
147.11685	11.3
149.02342	33.3
149.09601	9.7
149.13309	16.5
157.10103	8.5
159.02858	9.5
159.11719	10.9
161.13295	6.0
163.14853	7.2
165.09128	11.3
173.13234	10.7
175.14847	6.2
185.13232	7.8
187.14867	7.9
211.05859	15.1
212.06139	12.6
231.05074	36.5
233.29308	5.8
249.05984	7.4
258.11548	5.9
275.20081	9.4
289.43073	5.6
293.20856	5.9
293.28397	8.0
420.61948	6.7
497.20782	11.1
497.27869	26.3
541.26941	100.0
542.27795	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.4
55.05515	1.5
57.07081	3.5
67.05513	2.1
69.07076	1.5
70.06598	3.6
71.08650	1.3
79.05505	1.8
81.07065	2.7
83.08647	1.0
83.26617	0.3
85.10193	0.9
88.07641	2.8
91.05495	1.3
93.07076	1.3
95.04984	0.4
95.08624	2.4
98.22643	1.0
102.09176	3.0
105.07036	1.8
107.08587	1.8
109.10175	0.9
119.08636	1.3
121.06577	0.4
121.10164	1.3
131.08597	0.8
133.10176	1.3
135.11702	0.6
137.13399	0.5
145.10147	0.7
147.11717	0.7
157.10172	0.7
159.11734	0.5
161.09613	0.5
161.13293	0.5
169.10104	0.4
173.13219	0.6
189.16403	0.7
256.26382	6.5
256.28882	0.5
257.26651	2.1
261.14676	0.7
274.27435	0.5
283.26270	0.8
284.26785	0.6
284.29657	1.0
311.29520	4.7
312.29694	2.8
445.30618	0.7
451.32178	1.0
463.31738	4.4
481.32935	19.4
482.07022	0.4
482.33167	1.7
523.34216	2.7
540.53564	7.1
541.35065	100.0
541.53235	11.4
542.35522	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	541.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	0.6
58.77302	0.3
60.05572	0.3
64.57522	0.4
69.07102	0.5
69.12627	3.0
79.05512	0.5
81.07087	1.0
83.08672	0.5
83.46812	0.3
88.07642	0.5
93.07104	0.5
94.76458	0.3
95.08634	1.0
98.22637	0.7
105.07080	0.7
107.08630	0.6
109.10196	0.8
119.08645	1.0
121.10172	1.0
123.11751	0.4
131.08624	0.6
133.10158	0.6
143.08624	0.5
147.11800	0.4
159.11795	0.5
161.09698	0.4
175.15125	0.4
233.15237	0.6
311.29504	1.1
346.92807	0.4
367.03995	0.4
437.30460	0.6
467.32922	0.4
481.29568	0.5
523.30200	0.6
540.53668	1.2
541.37146	100.0
542.37500	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	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99503	7.9
69.06187	7.8
69.06532	60.4
70.06590	22.6
74.64376	7.3
86.09696	11.2
91.05479	17.0
96.19900	9.0
98.22507	16.1
103.05441	48.9
119.04977	12.0
121.06512	8.2
131.04918	100.0
133.02861	22.3
137.05994	38.2
147.04375	57.8
149.05983	57.4
162.06787	12.4
163.07545	30.2
165.05450	15.2
173.06023	9.7
177.05505	28.7
179.07022	14.2
207.07861	8.7
210.25031	8.1
290.27933	8.2
342.61032	10.2
359.45743	8.2
398.59464	8.9
423.23611	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	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.7
56.52240	7.8
66.72228	8.7
69.05835	58.9
70.06585	32.8
83.44652	7.5
89.27978	7.5
91.05506	15.4
103.05443	50.7
119.04958	14.4
131.04930	100.0
133.02858	30.7
137.05969	38.2
147.04396	43.6
149.06015	45.0
161.05879	10.3
163.07584	41.9
165.05516	8.5
173.06082	9.6
177.05545	31.3
179.06989	13.7
185.05925	13.9
247.66612	9.2
249.04408	9.4
272.18613	7.7
309.11526	9.0
330.54428	9.1
461.02670	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	542.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34615	0.3
53.03952	0.7
54.99485	0.4
56.96566	1.4
63.87642	0.4
69.03417	0.6
71.30138	0.4
73.46729	0.3
79.05499	0.7
85.02906	0.8
91.05467	1.3
93.07028	1.3
95.04988	0.7
97.02886	0.5
98.97577	2.3
103.05476	7.8
107.04959	1.6
116.98603	0.6
119.04954	1.2
120.08108	100.0
121.06512	0.4
121.08437	2.7
122.83856	0.4
127.03893	0.4
128.98584	0.4
129.93524	0.5
131.04909	2.7
135.04456	1.1
136.06177	0.6
137.05998	1.0
138.77115	0.4
147.04385	2.3
149.06023	1.9
158.99641	0.8
163.03873	0.6
166.08641	44.8
167.07054	1.1
167.09033	1.3
170.99704	0.6
172.94341	0.4
177.00763	0.5
179.06992	2.2
201.00700	0.5
219.01694	0.6
237.02794	1.9
244.96390	0.5
303.36194	0.5
309.08542	0.7
311.11011	0.5
338.02197	0.9
377.11069	0.4
392.03317	0.8
543.13763	0.8
543.58154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28192	0.7
55.01875	1.1
66.04723	1.0
67.08608	0.6
68.19069	0.6
69.03431	1.5
69.38828	0.6
70.06583	0.7
70.57750	2.0
70.58111	0.9
73.72508	0.8
79.05485	1.4
81.03413	0.9
81.07028	1.1
84.96618	0.7
85.02902	3.4
91.05482	1.7
93.07045	1.9
94.04188	2.6
97.02943	0.8
103.05470	5.6
105.07029	5.8
107.04942	1.6
108.08144	0.8
109.06519	2.2
111.08082	1.1
114.24458	0.7
115.05361	0.7
117.07030	1.4
121.06512	3.2
122.03659	7.4
128.06277	1.2
131.04947	7.3
133.06488	16.1
135.08046	6.0
137.05977	100.0
138.06331	2.8
143.08577	2.1
145.06456	3.7
147.08023	1.5
149.05965	1.3
151.07556	6.8
157.06465	1.8
161.04535	4.5
161.05775	1.1
163.07542	29.7
164.07935	1.0
166.08643	1.1
169.12271	1.6
171.08121	1.9
174.06815	1.5
175.07498	2.1
175.11205	1.5
177.09048	0.7
189.09128	2.7
193.12245	1.1
203.10655	4.3
217.12216	1.1
221.11818	1.4
240.08257	0.8
263.10629	1.7
295.13257	11.9
298.63248	0.8
327.15900	17.7
328.16275	1.1
329.15875	2.2
358.09787	0.8
417.56525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55899	2.1
62.05553	2.0
70.06588	7.2
76.85155	1.9
79.05494	3.6
85.02888	3.1
86.09706	7.1
91.05489	3.4
98.23386	5.0
98.89359	2.1
103.05466	5.8
105.07043	6.6
120.08110	5.8
121.06529	2.3
122.03645	7.2
131.04959	11.2
133.06474	15.9
134.60854	2.4
135.08046	4.6
137.05975	100.0
137.07033	5.1
138.06328	3.3
145.06491	5.9
147.08041	3.8
149.05995	3.0
151.07550	4.7
157.06403	2.2
160.54439	2.0
163.07561	29.4
165.05505	2.1
167.07092	2.5
175.07541	4.3
177.09015	2.4
189.09094	3.6
203.10587	3.7
218.52890	2.2
282.64413	2.1
295.13242	12.5
296.13437	2.0
327.15973	20.2
328.16519	2.2
357.86099	2.4
437.21991	2.3
470.50217	2.4
542.22430	14.5
542.30176	16.6
543.24158	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	542.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.2
55.01870	4.3
55.05508	10.5
57.07074	11.7
58.87501	2.5
62.00664	3.4
67.05506	20.9
69.03446	7.0
69.07074	10.3
71.04994	2.7
71.08636	4.3
79.05503	14.9
81.03408	10.4
81.07053	29.6
83.04978	3.1
83.06110	7.8
83.08612	6.8
84.04506	82.2
85.02908	5.5
85.10186	3.3
88.92413	2.4
89.06055	5.3
91.05473	17.5
93.07063	15.2
95.04971	4.9
95.06111	7.0
95.08610	24.8
97.02912	4.7
97.06509	4.3
97.10171	2.9
105.07037	18.3
107.08575	16.8
109.02914	3.8
109.06516	4.3
109.10151	13.3
116.07101	9.7
117.07021	6.6
119.08642	13.9
121.06490	3.2
121.10129	16.6
122.10566	2.6
123.11734	7.8
128.01671	4.2
129.01216	3.2
129.07034	4.4
131.08589	7.1
133.10165	15.4
135.08119	3.4
135.11682	8.5
143.08168	12.3
144.06563	100.0
145.06841	2.9
145.10092	13.8
147.11710	8.1
149.03462	6.8
149.13280	6.0
155.08345	4.7
157.00676	3.0
157.10172	6.3
159.08051	3.4
159.11720	7.6
161.03830	5.3
161.13290	5.4
165.01190	5.9
169.10132	4.8
171.11670	4.1
171.55972	2.7
173.13271	7.2
175.11143	2.8
175.14828	4.9
183.02206	4.3
183.07678	8.8
183.11697	3.4
185.13321	3.5
187.14879	6.4
187.45122	2.5
189.03369	2.9
189.16443	3.5
199.05399	4.4
209.05641	3.7
225.03300	8.1
227.06715	19.9
235.13161	3.8
243.04295	13.7
255.04442	3.4
272.06998	4.5
288.10141	11.7
300.06625	5.9
314.08078	3.6
331.26904	2.7
332.09064	13.1
465.29813	5.1
483.30905	8.2
525.31854	4.4
542.33435	69.7
543.32941	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	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
57.07077	35.2
67.05508	3.3
69.03441	1.7
69.07068	5.4
71.08634	23.4
71.31245	2.1
73.06577	6.8
79.05495	4.3
81.07072	7.3
82.07411	1.4
83.04965	2.0
83.08639	2.6
85.09713	2.1
85.10190	23.3
87.04469	5.5
89.06034	100.0
91.05489	2.4
91.35194	1.2
93.07043	3.6
95.04974	2.1
95.08601	7.8
96.08944	1.6
97.10165	4.8
97.71145	1.1
99.11745	4.4
105.07040	5.4
107.07078	3.7
107.08588	7.4
109.06540	1.4
109.10143	6.0
111.11757	1.4
117.07026	1.3
117.09139	4.8
117.80573	1.3
119.08598	5.8
121.06456	1.3
121.10137	6.6
123.11700	4.4
129.07054	1.7
130.08662	1.9
131.07031	1.5
131.08549	2.9
133.08603	49.0
133.10181	4.7
135.08008	1.7
135.10146	1.5
135.11734	2.9
143.08565	2.0
145.10101	3.2
147.11697	3.6
155.17964	5.9
157.10120	1.6
159.11717	3.4
161.09535	1.4
161.13171	2.7
175.07567	2.1
175.14908	1.6
177.11226	17.4
185.13222	1.6
199.20566	3.8
214.94865	4.5
221.13847	2.0
235.13071	2.1
239.14815	1.3
243.23183	6.1
283.17233	2.3
287.25916	4.0
327.19904	1.6
366.96631	1.4
371.22696	4.2
447.28534	1.4
465.29749	2.4
483.31039	4.9
525.31873	3.0
525.39868	5.1
542.35596	30.8
542.53845	1.6
543.21399	7.8
543.33002	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	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26729	0.5
53.59785	0.5
63.73566	0.6
69.72503	2.9
76.09837	0.6
89.25843	0.6
98.23331	0.9
98.97600	1.0
126.40931	0.6
137.33163	0.6
226.23244	0.6
231.48541	0.6
232.03595	0.7
255.90471	0.8
363.06946	7.7
371.59372	0.7
381.07977	10.4
474.12140	0.8
543.13220	100.0
544.13403	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	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90315	0.4
55.07301	0.5
56.28585	0.5
61.25412	0.4
71.29211	0.5
92.98235	0.5
98.97591	1.1
110.97575	0.6
128.98599	0.6
157.03493	0.6
160.01274	0.7
173.02945	0.5
189.00734	0.7
219.01772	0.6
232.03500	0.6
247.04842	0.8
255.02348	0.6
261.02972	0.6
279.14780	0.5
314.03857	0.5
327.03552	0.5
327.56747	0.4
355.09372	0.5
363.06921	5.9
381.07935	11.8
421.29333	0.5
543.13251	100.0
544.13519	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	543.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.1
69.83118	2.8
81.07075	0.9
99.02972	0.6
107.79721	0.7
111.50629	0.7
148.92126	0.8
161.04848	1.0
191.02490	0.9
227.09575	0.8
237.11739	0.8
295.15744	4.0
337.16898	4.0
457.21521	1.0
499.22903	12.8
525.21167	2.7
543.21979	100.0
544.22284	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	543.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37830	0.7
55.75398	0.8
56.96572	1.4
69.27277	3.9
69.27679	1.8
76.70697	0.9
81.07050	1.4
92.43419	0.8
98.97578	0.9
99.08106	1.1
105.07024	1.1
118.67312	0.8
122.96130	0.8
136.75189	0.8
143.64697	0.8
158.56105	0.8
203.73871	0.9
212.43367	1.1
237.61539	0.8
258.99673	0.8
295.15900	1.6
321.11264	2.0
328.79117	0.9
457.21332	2.5
499.22711	7.7
525.21130	5.1
543.22009	100.0
544.22333	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	543.2204
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
56.96563	1.1
69.83118	2.8
81.07075	0.9
99.02972	0.6
107.79721	0.7
111.50629	0.7
148.92126	0.8
161.04848	1.0
191.02490	0.9
227.09575	0.8
237.11739	0.8
295.15744	4.0
337.16898	4.0
457.21521	1.0
499.22903	12.8
525.21167	2.7
543.21979	100.0
544.22284	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	543.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.5
60.80812	0.3
67.05501	1.0
69.03416	0.8
69.06300	1.0
69.06715	2.1
70.06591	0.3
71.04998	0.6
79.05508	0.8
80.75574	0.3
81.07049	1.3
85.02928	0.8
91.05474	0.7
92.05859	0.4
93.07053	0.7
95.04970	0.8
95.08591	0.7
97.02887	0.4
98.23428	0.4
105.07029	0.8
107.08604	0.7
109.02856	0.3
109.06547	0.5
109.10156	0.8
119.08616	0.4
121.10101	0.6
124.88821	0.3
127.03911	0.5
127.11176	0.5
131.08595	0.5
133.10110	0.7
135.07936	0.4
137.05838	0.3
142.56618	0.3
145.10139	0.4
149.09457	0.4
166.08675	0.5
174.05409	0.4
203.05315	0.9
220.70842	0.4
245.06346	3.0
259.16769	1.0
277.17764	11.2
278.17987	0.8
279.19302	2.5
287.03732	2.3
289.05350	6.7
295.18802	10.7
296.19095	0.6
323.18405	0.8
337.19888	0.5
365.07120	0.3
387.75928	0.4
423.23663	0.4
439.23010	4.0
457.17746	0.5
457.24045	13.5
457.30475	0.7
458.24283	1.0
481.24030	4.1
499.25128	29.8
500.25562	2.8
507.22086	0.8
525.23132	5.4
543.24133	100.0
544.24481	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	543.2417
Annotation	Sarcaglaboside D
Peak:m/z	Relative Intensity
67.05512	1.0
69.03423	2.9
70.06600	1.8
70.62183	0.6
70.62508	0.7
71.05006	1.2
72.08163	1.1
73.88442	0.5
79.05518	0.5
80.30344	0.5
81.03417	0.5
84.04507	0.5
85.02901	1.1
85.96210	0.5
86.09705	3.1
91.05501	0.9
93.07049	0.6
95.08631	0.5
105.07035	0.9
107.27144	0.6
120.08154	0.7
133.06407	0.6
133.10236	0.5
137.06010	1.3
141.05260	0.7
145.28062	0.4
157.13371	0.6
167.07034	1.2
169.04764	0.9
185.04204	0.9
203.05324	2.2
219.13867	1.4
226.45844	0.5
227.05290	0.9
245.06342	6.8
250.78255	0.5
258.85657	0.6
259.16730	2.0
271.04260	1.2
277.17780	9.3
289.05280	8.8
290.05862	0.6
295.18845	7.7
369.18869	0.6
411.20038	1.9
421.22052	1.2
439.23013	4.2
455.18887	3.8
457.16888	2.9
457.24222	5.4
463.22998	3.7
481.24063	10.0
482.24750	0.6
499.25177	20.5
500.25565	0.9
507.21976	14.0
525.23090	34.9
526.23370	2.7
543.24164	100.0
544.24420	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	543.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27906	0.3
63.25209	0.4
69.03427	1.0
69.97629	0.3
70.06597	0.7
71.04987	0.7
71.25500	0.6
81.03430	0.6
81.07066	0.7
85.02917	1.2
85.06570	0.3
86.09715	1.0
87.64397	0.4
91.05491	0.6
93.07063	0.5
95.04975	0.4
95.08588	0.8
97.15182	0.4
110.97137	0.4
119.08611	0.4
121.10164	0.4
137.05988	0.8
145.10101	0.4
192.04552	0.3
201.16486	0.6
219.13747	0.3
219.17473	1.0
223.13089	0.6
227.05458	0.4
234.90303	0.4
274.39685	0.3
277.17685	2.9
289.05139	0.6
295.18823	9.6
323.18228	1.1
363.25171	1.1
381.11798	1.0
439.22977	1.8
457.24078	10.8
458.24225	0.9
481.24149	2.0
499.25134	36.5
500.25681	3.5
525.23010	3.3
543.24164	100.0
543.31458	10.0
544.24530	8.5
544.32013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09118	0.4
57.44793	0.4
57.90645	0.4
67.05515	0.8
69.03426	3.0
69.07056	0.5
69.13129	2.7
69.13533	0.7
70.06596	5.3
71.04995	1.3
75.09274	0.4
75.66407	0.4
79.05503	0.9
81.07064	0.7
84.08154	1.8
85.02906	0.9
85.06554	0.6
86.09719	0.7
91.05495	1.1
93.07064	1.1
95.04972	0.6
95.08633	0.6
97.02901	1.0
105.07051	1.6
107.08617	1.0
109.02850	0.5
109.10175	0.6
127.00096	0.6
129.10280	0.7
133.10191	0.9
137.06010	0.6
143.22537	0.4
158.34871	0.4
185.04265	1.3
188.07082	0.7
201.03827	0.5
201.12790	0.5
203.05394	1.5
204.16286	0.5
219.13875	1.6
225.14655	0.4
227.05316	0.9
229.03215	0.5
229.14427	0.5
243.04831	1.6
245.06349	5.3
245.08510	0.6
259.16745	0.7
271.04330	0.9
277.17773	7.9
279.19324	5.8
287.03708	6.8
289.05292	18.5
289.08505	0.9
290.05692	0.6
295.18811	8.6
296.19388	0.5
302.15048	3.3
337.19397	0.5
369.19101	0.7
373.40320	0.5
392.90839	0.5
411.19714	0.6
421.22269	0.8
439.23157	2.6
455.19177	1.9
457.24084	5.2
463.23212	1.1
481.23935	4.6
499.25183	18.2
500.25815	1.3
507.22137	3.8
525.23138	12.6
526.23181	0.9
543.24170	100.0
544.24475	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	543.3295
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
57.23950	0.2
62.63028	0.3
67.83533	0.3
69.62781	1.4
70.06590	0.3
81.52443	0.2
95.43918	0.2
98.22656	0.3
120.05307	0.3
130.16881	0.3
173.65979	0.3
481.32898	1.8
499.33911	4.1
525.31915	0.4
543.32928	100.0
544.33295	9.2
546.54535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.07073	1.0
66.36408	0.3
67.05516	1.1
69.07064	1.3
69.23225	2.5
71.08615	0.5
71.45792	0.4
78.23458	0.3
79.05506	0.8
81.07050	1.6
83.04995	0.5
83.08623	1.0
88.07645	0.8
90.42439	0.4
93.07047	0.8
95.08615	1.3
97.06525	0.5
97.10184	0.8
105.07052	0.5
107.08606	0.5
109.10204	0.5
117.05498	1.6
119.08578	0.5
121.10201	0.5
133.08598	0.4
135.11687	0.6
147.11644	0.4
177.18234	0.3
181.63701	0.3
225.20395	0.4
235.20662	0.7
253.21675	0.9
255.23254	0.4
312.29730	0.7
313.29880	0.4
542.54333	2.4
543.35040	100.0
544.35382	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	544.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49271	3.4
55.01866	5.2
55.05504	4.6
56.40193	3.8
57.03427	4.2
67.05505	15.4
69.03422	9.4
69.07051	3.9
69.08975	33.2
70.06596	100.0
72.08143	4.8
74.05395	4.0
79.05493	10.7
81.03428	6.3
81.07064	15.6
85.02911	8.9
86.09722	4.0
87.00826	3.9
91.05488	11.9
93.07036	7.9
95.04977	27.9
95.08608	21.5
97.02859	5.9
99.04459	5.6
103.05482	9.5
105.07027	9.1
107.08619	7.3
109.02898	8.0
109.06490	3.9
112.07610	12.9
114.05549	7.9
119.04967	6.1
119.08555	5.1
121.06461	3.8
121.10148	4.9
123.04443	6.8
123.08064	9.6
127.03928	8.7
131.04924	47.7
131.08592	4.8
135.04385	4.1
135.99780	4.0
137.05992	23.9
141.09174	4.7
147.04431	22.3
147.08041	4.5
147.11664	5.1
149.05974	10.1
151.07556	11.7
153.86221	4.2
161.05908	4.0
162.06741	6.8
163.07541	31.4
173.13271	6.8
175.07533	12.9
177.05527	5.2
179.07097	7.6
189.04063	3.6
191.14197	5.4
193.08582	17.4
206.71651	3.2
215.07022	3.8
261.02438	4.4
274.12921	10.2
299.12961	4.3
304.46289	4.7
311.11255	9.5
316.52634	4.0
317.13910	11.2
329.12119	17.8
544.24518	5.2
545.25110	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	544.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15503	3.7
55.01865	4.4
57.03435	3.8
67.05498	14.6
69.03426	6.5
70.06211	5.1
70.06595	100.0
71.04977	5.2
79.05501	8.2
81.03402	4.4
81.07057	24.8
84.08144	8.1
85.02914	13.5
86.09711	13.5
91.05493	4.8
93.07047	6.2
95.04980	21.7
95.08622	26.5
97.02904	6.6
98.22584	6.4
103.05489	11.0
105.07028	5.1
107.08569	5.4
109.02836	5.7
109.06508	6.1
112.07587	4.6
119.04891	5.9
119.08588	6.3
121.06506	5.9
123.04446	4.6
123.08080	12.3
127.03926	8.0
128.59221	4.3
131.04947	47.9
133.10162	5.2
135.11125	4.5
137.05969	28.5
141.09155	10.0
145.05031	7.0
147.04407	32.7
149.05983	9.8
150.06721	8.0
151.07545	10.3
161.05997	7.8
162.06764	7.2
162.47102	4.0
163.07562	44.1
175.07602	11.3
179.06969	6.8
184.27893	3.9
189.03961	10.8
193.08635	18.6
195.52177	4.0
205.08388	4.5
274.12958	5.0
299.12744	4.3
309.28116	4.1
311.11414	16.2
313.60098	4.5
317.13693	6.8
320.53900	4.1
329.12045	22.8
347.13324	6.5
350.72781	4.8
356.51331	4.9
358.55951	4.1
448.84122	4.6
467.34659	4.6
545.22974	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	544.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01871	6.0
55.05508	8.8
57.03429	3.7
60.04533	9.1
61.02925	9.1
61.68771	1.7
65.03932	2.0
67.05503	14.1
69.03444	23.9
69.07087	3.7
70.04079	2.1
71.05009	9.1
71.30337	3.3
73.02909	4.4
77.78749	2.0
79.05511	11.3
81.03442	10.8
81.07052	9.6
83.04971	5.4
83.08613	3.0
85.02914	100.0
86.03243	2.1
87.04486	2.6
91.03933	3.3
91.05495	17.4
92.26204	2.0
93.07054	8.8
93.83374	2.0
95.04982	4.2
95.08621	14.1
97.02905	22.8
97.06532	2.2
99.04459	5.1
105.07043	17.8
107.08594	5.7
109.02872	9.1
109.10169	3.9
111.08094	2.9
111.48270	1.8
115.03953	2.6
115.05439	4.8
117.07038	4.9
119.08570	14.6
121.02848	2.7
121.06517	27.0
121.10147	4.1
123.08081	4.3
127.03933	22.7
128.06241	10.6
128.06981	1.9
129.07048	9.0
131.08620	8.9
133.10167	4.6
135.08070	2.7
137.09610	3.9
140.10698	7.8
141.06995	4.4
142.07770	5.9
143.08595	9.0
145.04982	29.6
145.10112	3.9
147.08066	4.3
147.11748	2.6
149.02351	48.8
150.02681	20.3
155.08574	3.5
155.10681	4.5
157.10141	2.9
159.11743	3.4
161.09610	4.1
161.13307	2.3
163.06044	9.6
169.10019	2.2
176.12952	2.1
178.55690	1.7
203.14349	5.9
205.08693	3.2
206.08870	3.7
218.86295	2.0
257.04425	10.7
258.05176	2.8
278.14688	2.6
286.04688	5.3
287.05658	3.1
383.11237	14.4
467.24551	2.3
490.38669	3.1
508.40033	5.8
509.40240	2.3
526.41180	2.5
544.28479	3.0
545.30341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3454
Annotation	Lys Ile Glu Arg
Peak:m/z	Relative Intensity
51.85560	0.6
55.05506	1.9
57.07080	1.0
67.05511	4.6
69.07066	3.9
71.04980	0.5
71.32021	0.7
79.05502	3.2
81.07063	6.0
83.04974	0.7
83.08586	1.1
85.06595	0.6
91.05480	3.1
91.25241	0.6
93.07054	3.5
95.04981	1.2
95.08606	6.3
105.07034	3.6
107.04935	0.7
107.08614	3.9
109.10173	3.9
111.11750	0.6
119.08581	3.6
121.06514	0.7
121.10140	3.1
123.08062	1.0
123.11721	1.8
131.08589	1.1
133.10130	3.2
135.08067	1.3
135.11694	2.2
137.09708	0.7
143.08604	1.4
145.10144	1.8
147.11707	1.8
149.09651	0.7
149.13281	1.1
157.10124	1.0
159.11699	1.0
161.13344	1.0
163.11163	0.9
171.11731	1.1
175.11232	0.6
175.14975	0.8
177.16389	0.7
185.13390	0.9
187.14766	1.1
189.16418	1.2
189.20378	0.6
203.14462	0.7
213.16185	0.7
215.14400	0.7
267.12198	0.7
267.15884	0.9
278.34424	0.6
315.20309	0.6
323.14621	0.7
423.32440	0.6
451.32339	0.7
452.79855	0.6
467.31735	0.9
485.32751	0.8
527.37158	0.8
545.34430	100.0
546.34729	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	546.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.7
53.03938	8.5
55.01873	7.6
55.05502	4.4
57.03428	8.2
61.02921	4.9
62.82601	2.1
65.03934	9.4
67.05518	11.5
69.03434	40.4
70.06584	3.5
70.42799	2.2
71.04992	16.8
73.02914	17.6
77.03920	4.9
79.05489	23.4
81.03425	7.8
81.07055	4.0
85.02908	26.5
85.06555	2.8
86.09743	2.3
87.31311	2.0
91.05490	33.1
93.03412	30.5
93.07047	6.4
95.04966	14.8
95.08627	3.2
97.02900	15.4
99.04499	2.7
103.05459	19.3
105.07034	19.3
107.04947	6.0
109.02879	3.5
109.06483	3.1
115.03954	9.7
115.05463	43.9
116.06200	3.2
117.07025	9.2
119.08611	2.8
121.06502	5.6
123.08115	4.4
127.03868	5.5
127.05424	4.5
127.07545	4.5
128.06226	88.6
129.07025	81.0
129.08002	4.1
130.05141	2.3
130.07753	3.9
131.04893	3.6
131.08572	6.4
133.04987	2.5
133.06497	10.5
135.04378	2.5
137.05998	3.8
141.07001	24.4
142.07817	20.3
143.08588	24.6
143.80138	2.5
145.04947	5.9
145.06500	18.4
147.08098	3.4
152.06236	6.6
153.06996	49.1
154.07767	20.3
155.06030	17.4
155.08557	79.4
156.09300	8.8
157.06462	13.1
157.10123	15.6
158.07259	5.8
161.06006	3.3
161.13284	2.5
165.07024	23.1
166.07787	9.8
169.06476	5.2
171.08032	7.8
171.11694	3.0
173.09647	3.2
180.08916	2.2
181.10130	4.7
182.61128	2.4
183.08028	2.8
184.08820	4.7
185.09531	2.8
199.11198	100.0
200.11543	3.7
217.12262	10.4
354.23892	2.5
458.28271	2.7
477.95020	2.7
479.75302	2.4
552.75500	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	546.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.7
53.03938	8.5
55.01873	7.6
55.05502	4.4
57.03428	8.2
61.02921	4.9
62.82601	2.1
65.03934	9.4
67.05518	11.5
69.03434	40.4
70.06584	3.5
70.42799	2.2
71.04992	16.8
73.02914	17.6
77.03920	4.9
79.05489	23.4
81.03425	7.8
81.07055	4.0
85.02908	26.5
85.06555	2.8
86.09743	2.3
87.31311	2.0
91.05490	33.1
93.03412	30.5
93.07047	6.4
95.04966	14.8
95.08627	3.2
97.02900	15.4
99.04499	2.7
103.05459	19.3
105.07034	19.3
107.04947	6.0
109.02879	3.5
109.06483	3.1
115.03954	9.7
115.05463	43.9
116.06200	3.2
117.07025	9.2
119.08611	2.8
121.06502	5.6
123.08115	4.4
127.03868	5.5
127.05424	4.5
127.07545	4.5
128.06226	88.6
129.07025	81.0
129.08002	4.1
130.05141	2.3
130.07753	3.9
131.04893	3.6
131.08572	6.4
133.04987	2.5
133.06497	10.5
135.04378	2.5
137.05998	3.8
141.07001	24.4
142.07817	20.3
143.08588	24.6
143.80138	2.5
145.04947	5.9
145.06500	18.4
147.08098	3.4
152.06236	6.6
153.06996	49.1
154.07767	20.3
155.06030	17.4
155.08557	79.4
156.09300	8.8
157.06462	13.1
157.10123	15.6
158.07259	5.8
161.06006	3.3
161.13284	2.5
165.07024	23.1
166.07787	9.8
169.06476	5.2
171.08032	7.8
171.11694	3.0
173.09647	3.2
180.08916	2.2
181.10130	4.7
182.61128	2.4
183.08028	2.8
184.08820	4.7
185.09531	2.8
199.11198	100.0
200.11543	3.7
217.12262	10.4
354.23892	2.5
458.28271	2.7
477.95020	2.7
479.75302	2.4
552.75500	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	546.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05512	20.8
57.03418	4.4
57.07071	5.2
65.03939	4.5
67.05507	89.1
69.07072	24.4
69.22850	16.4
70.07347	2.8
71.04980	3.1
75.36669	2.8
75.50912	2.5
79.05493	50.4
81.06580	5.7
81.07056	100.0
82.07396	3.6
83.04985	4.7
83.08615	13.8
85.02900	5.6
85.06558	2.9
86.75336	3.1
91.05479	33.3
91.20794	2.8
93.07050	74.0
95.01320	4.8
95.04975	6.5
95.08608	79.0
96.08939	3.6
97.06530	9.9
97.10158	5.9
99.08097	3.9
105.07038	30.4
106.07344	3.5
107.08598	63.0
108.08924	5.4
109.06536	7.8
109.10159	54.5
111.08119	4.4
113.02347	3.6
117.06989	14.1
117.57753	2.6
119.04935	4.3
119.08574	38.9
120.08920	5.5
121.10146	64.7
122.10480	8.3
123.08061	7.7
123.11703	34.1
129.06927	3.6
131.08553	26.4
133.06461	3.2
133.10135	32.0
134.10437	3.9
135.08069	11.3
135.11696	35.3
137.09639	6.3
137.13228	12.0
140.81967	2.8
141.01791	6.4
143.08493	5.1
144.09045	2.5
145.10141	30.8
147.08061	5.5
147.11697	24.6
148.12013	4.1
149.09639	9.4
149.13261	24.6
151.11206	5.9
151.14856	4.4
157.10191	4.6
159.11665	24.2
161.09718	3.8
161.13269	17.1
163.07619	3.3
163.11151	6.1
163.14827	10.8
165.12752	5.6
168.95482	3.8
169.10060	5.0
171.11653	6.1
173.13274	23.9
174.13641	5.4
175.11147	4.2
175.14828	9.9
177.16402	8.4
179.14284	3.8
183.11667	6.0
184.05466	3.4
184.07292	2.8
185.13321	4.2
187.11072	5.4
187.14867	15.7
188.15222	3.1
189.12689	4.1
189.16360	11.3
199.14912	2.8
201.12727	4.2
201.16360	4.3
205.15932	4.3
215.14365	3.8
215.17772	4.2
233.15308	6.2
233.22627	3.8
234.15767	5.0
243.17583	3.0
243.21036	27.2
261.22131	89.1
262.22595	4.3
269.15103	3.1
279.23129	5.8
335.25790	24.7
353.26993	23.3
422.31393	5.5
450.30585	3.8
468.31854	4.2
486.32819	6.5
510.33005	5.6
511.29346	6.6
528.33746	10.1
546.35565	19.1
547.31488	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	546.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.2
56.82945	2.6
60.43454	3.4
61.02937	5.4
67.05513	50.8
69.07066	13.4
71.04996	3.4
74.60340	3.1
76.64754	2.9
77.03989	3.8
79.05495	32.9
81.07065	57.9
83.04979	3.3
83.08603	7.1
85.02906	6.7
91.05483	17.6
93.07053	39.4
95.08611	56.7
95.09166	5.1
96.08951	3.3
97.02876	3.8
97.06555	5.6
97.10197	5.3
97.91666	3.2
99.08130	3.8
101.88718	3.0
105.07041	19.8
107.08591	34.8
109.10154	37.0
117.07000	6.2
118.41351	2.9
119.08591	21.1
121.10143	30.4
123.11703	26.3
125.09642	3.0
131.08580	14.3
133.10123	18.7
135.11703	30.4
137.09637	5.7
137.13272	11.6
145.10135	21.0
147.11728	12.5
149.13258	21.1
151.14828	5.7
157.10150	3.2
159.11697	16.0
161.09520	4.0
161.13251	15.1
163.11293	5.3
163.14850	15.9
173.13271	16.9
175.14862	6.4
177.16466	5.4
179.14273	6.4
179.57506	2.8
187.14836	11.9
189.16405	7.1
197.13176	3.1
201.16324	3.4
205.15912	3.6
215.80714	3.4
217.15714	4.3
243.21100	34.4
261.22159	100.0
262.22446	3.4
279.23218	4.6
327.56729	3.3
335.25793	25.9
353.26941	20.8
381.84491	4.0
528.35022	5.0
546.35535	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	546.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84397	2.2
55.05522	3.4
57.07066	3.6
62.39108	2.0
67.05511	6.1
69.07083	5.6
69.10691	21.0
79.05513	6.8
80.33618	2.2
81.07057	12.8
83.08617	3.4
84.42958	2.2
86.09707	5.4
91.05488	3.2
93.07030	15.0
95.08626	14.7
97.06554	4.3
99.08133	4.6
104.10763	33.4
104.52444	2.1
105.07040	7.6
107.04980	2.4
107.08591	18.5
109.10167	16.3
119.08594	11.7
121.10143	22.9
123.11702	15.0
125.06023	16.9
133.10136	12.4
135.11732	7.3
139.07549	14.1
141.31897	2.7
141.72034	2.4
145.10158	8.4
146.98186	2.6
147.08032	2.5
147.11694	9.0
149.13292	13.8
157.10138	2.3
159.11752	5.1
161.09636	4.3
173.09634	4.9
173.13219	3.6
175.11201	32.3
187.14847	10.5
189.12849	3.6
189.16452	6.4
191.10706	3.3
191.17937	15.2
197.13297	3.3
205.15894	9.6
215.14328	22.6
233.15381	100.0
234.15726	6.3
235.16946	3.2
287.20087	5.2
299.20203	2.7
423.32620	47.3
424.32956	3.4
433.31046	2.6
451.32126	7.3
483.34610	5.9
487.28000	19.9
511.34177	55.9
512.34521	8.6
546.35785	6.2
547.23114	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	546.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.05509	14.9
57.07080	20.6
57.22384	3.9
66.48572	4.1
67.05514	31.4
69.03435	4.7
69.07072	24.4
69.13788	31.6
71.04978	3.5
71.08643	28.2
72.09721	3.5
76.60571	3.6
79.05492	29.7
81.03445	5.5
81.07057	51.2
83.04986	5.8
83.08614	10.6
85.10175	16.8
87.04468	5.4
89.05486	4.7
89.06033	61.2
91.05468	22.9
93.07054	44.7
95.05000	8.5
95.08613	67.5
97.06533	11.1
97.10187	4.2
99.08135	4.9
105.07025	36.6
107.04970	4.1
107.08598	54.7
109.06525	10.2
109.10159	73.6
111.08104	24.8
111.11691	6.2
117.07062	6.8
119.08584	58.3
120.08894	5.0
121.06516	78.4
121.10143	57.1
123.08044	21.0
123.11692	25.3
123.83484	4.1
125.05997	17.5
125.09588	4.7
127.11205	9.4
131.08546	18.7
133.08612	31.5
133.10135	55.4
134.10486	7.5
135.08018	11.7
135.11687	35.1
137.09612	6.9
137.13324	4.2
137.69540	3.8
139.07538	15.3
142.07770	4.3
143.08557	12.1
145.10120	28.2
147.08069	11.4
147.11685	21.3
149.09602	13.3
149.13284	34.4
151.07593	4.8
157.10158	16.9
159.08032	5.2
159.11722	26.5
161.09663	8.6
161.13248	19.3
163.07602	5.4
163.11208	9.9
163.14891	8.9
165.09090	13.5
169.10104	6.7
171.11713	18.5
173.09547	5.1
173.13263	20.5
175.11223	11.9
175.14810	14.4
177.09074	5.9
177.11208	10.9
177.12657	5.4
177.16391	8.5
179.10692	6.5
181.12239	10.9
183.11685	6.0
185.13280	10.5
187.11168	7.5
187.14835	18.5
189.12729	17.4
189.16391	26.8
191.10548	3.7
191.14372	5.1
191.17896	11.5
193.12218	4.8
197.13206	7.5
199.14864	9.7
201.12851	4.0
201.16449	8.8
203.14362	6.3
203.17963	4.8
209.11652	9.1
213.16238	4.1
215.14369	24.2
215.17923	5.8
219.13693	7.0
221.13521	5.0
225.16344	5.2
227.12721	6.0
233.15370	100.0
234.15625	7.1
241.19502	4.3
247.20593	13.0
269.09869	7.4
269.19073	6.3
271.20642	5.1
275.20123	6.0
287.20050	6.5
289.21548	10.1
291.23187	16.0
350.30371	3.9
403.23294	16.5
423.32709	38.2
424.33209	5.8
433.31067	18.2
451.32318	38.3
469.33533	29.1
483.34885	6.0
493.32663	7.2
511.27304	5.8
511.34283	85.2
512.34259	9.1
529.35925	18.3
546.31445	14.5
547.31915	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	5.4
57.07055	2.5
57.09992	2.4
57.44506	2.3
59.39618	2.2
67.05511	7.3
69.07069	8.3
69.23830	14.3
73.92612	2.5
74.74335	2.6
79.05506	8.6
81.07056	17.0
83.08606	3.1
89.06031	3.1
91.05479	9.8
93.07043	20.0
95.04966	2.7
95.08616	23.7
97.06534	2.7
97.10143	2.8
98.22599	4.3
99.08117	4.8
105.07027	15.0
107.04927	2.9
107.08578	26.2
109.06504	4.3
109.10165	15.7
111.08136	3.3
119.08590	20.2
121.06509	26.9
121.10138	22.7
123.08061	9.0
123.11725	13.4
125.05997	18.2
125.09608	2.8
131.08588	7.2
133.10143	21.5
135.08063	3.4
135.11723	9.2
137.09583	3.9
137.13280	4.5
139.07550	17.3
143.08582	2.8
143.60005	2.6
145.10124	10.7
147.08022	2.9
147.11725	7.2
149.09552	3.8
149.13301	18.9
157.10149	4.2
159.08061	2.5
159.11702	8.4
161.09641	5.9
161.13245	12.2
163.14812	3.5
171.11739	4.2
173.13205	5.2
175.11209	5.3
175.14824	3.3
177.16371	3.7
185.13210	3.6
187.14798	11.8
189.02635	2.7
189.12770	10.6
189.16420	9.8
191.17911	12.2
197.13332	4.8
199.14949	2.7
201.12633	3.1
201.16545	3.3
203.14293	3.6
213.16489	3.0
215.14304	22.8
217.15900	3.3
219.13799	2.4
233.15366	100.0
234.15660	3.3
235.16861	2.8
243.17479	2.6
287.20135	5.3
327.23114	2.7
365.75934	3.1
423.32550	40.5
424.32938	3.1
433.30826	4.1
439.30319	3.1
451.32404	14.5
468.31653	3.3
469.32980	4.3
483.34604	9.2
511.34204	82.7
512.34613	7.1
528.33545	2.8
546.38269	3.3
547.32007	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05511	2.1
55.11427	0.5
57.07072	0.6
62.86954	0.5
64.55950	0.5
65.69002	0.4
67.05508	3.5
68.49767	0.4
69.03450	0.7
69.07070	3.5
69.08762	2.4
69.09190	1.6
77.03920	0.9
79.05503	4.7
81.07065	7.3
83.08618	1.2
91.05488	5.2
93.07053	9.7
95.04958	1.2
95.08035	0.9
95.08613	9.2
97.06541	1.3
97.10179	0.5
99.00244	0.5
99.08091	2.0
102.50499	0.6
105.07034	4.8
105.44971	0.5
107.04930	1.0
107.08596	10.9
109.06517	0.6
109.09438	0.9
109.10162	11.8
111.08086	3.7
117.07049	1.0
119.08588	7.8
120.08927	0.6
121.06514	54.1
121.10136	9.1
122.06853	2.1
123.08076	7.3
123.11705	5.5
125.06002	11.6
131.08560	2.4
133.10135	11.4
135.08067	1.8
135.11714	4.2
139.07545	12.6
142.59811	0.4
143.08568	1.3
145.10127	4.4
147.11665	3.1
149.05991	0.7
149.09598	1.0
149.13260	11.1
157.10103	1.4
158.11034	0.6
159.08047	0.8
159.11641	2.4
161.09625	1.3
161.13298	4.9
163.07552	1.8
163.11230	0.7
163.14821	1.4
171.11714	1.2
172.12511	1.0
173.09645	1.7
173.13297	3.0
175.11235	2.8
175.14742	0.7
177.09119	1.1
177.16385	0.6
177.44313	0.6
185.13225	1.2
187.11230	0.5
187.14824	6.0
189.12766	8.4
189.14435	0.6
189.16376	4.8
191.10579	0.8
191.14349	0.9
191.17950	7.3
193.12230	0.8
197.13240	1.9
199.14624	0.6
203.14279	1.0
203.17882	1.1
205.15889	1.5
215.14342	13.1
216.14655	0.5
217.15839	2.1
219.13795	0.8
229.15923	0.7
233.15370	100.0
234.15732	6.1
235.17006	2.2
245.18961	0.7
247.16972	0.8
248.08513	0.5
257.18964	0.6
261.18500	2.4
275.20053	2.0
281.07629	0.5
287.20074	1.7
299.20120	0.8
301.21588	1.6
308.36316	0.5
313.21695	0.6
327.23032	1.3
329.24762	0.6
357.93594	0.5
381.27448	0.7
405.31235	0.7
423.32596	25.8
424.32886	2.8
433.30780	0.8
451.32175	1.6
469.33359	1.4
483.34729	7.7
484.34875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.0
56.93336	2.9
59.95451	2.7
64.11193	2.3
66.11907	2.5
67.05501	9.9
69.07056	12.5
69.11803	6.3
69.12223	19.3
79.05487	10.5
81.07066	25.2
83.08600	3.7
91.05450	5.7
93.07043	17.2
95.04990	3.6
95.08613	35.4
97.06512	3.5
98.23387	6.7
99.08080	3.7
105.07015	12.9
105.83791	2.6
107.08585	26.9
109.10158	25.6
111.08063	5.0
119.08595	18.5
119.09312	3.1
121.06475	6.9
121.10136	28.9
123.08082	7.7
123.11702	14.8
123.84776	3.7
125.05989	20.5
131.08557	4.3
133.10132	21.3
135.08025	4.3
135.11682	10.6
137.13335	3.0
139.07533	25.9
143.08588	6.4
145.10098	9.9
147.08067	4.4
147.11659	8.7
149.09579	4.4
149.13252	16.6
151.14836	5.7
157.10123	4.9
159.11696	6.4
161.09630	4.2
161.13254	8.2
171.11699	5.6
173.09502	4.1
173.13231	8.3
175.11212	6.4
175.14821	3.7
177.16362	9.5
185.13260	5.4
187.11156	3.3
187.14816	13.3
189.12747	17.5
189.16373	20.4
191.17935	22.4
197.13255	4.3
199.14801	4.2
203.10605	3.0
203.17958	4.1
213.12810	3.8
215.14302	17.6
215.18094	2.9
217.15982	3.4
221.15329	4.4
227.14281	7.0
229.15965	7.5
233.15363	100.0
233.17688	5.2
234.15607	4.8
235.16859	5.2
245.15279	14.6
247.13148	2.8
255.13873	3.3
261.18536	3.9
273.14883	6.6
275.19928	3.4
291.16132	6.0
370.01236	3.4
405.31506	14.1
407.33154	5.0
423.32486	44.2
433.30963	7.4
451.32040	58.9
452.32260	5.6
469.33026	19.8
483.34738	30.0
484.34964	4.9
511.34164	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	546.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.07090	1.0
59.35937	0.8
67.05505	3.5
69.07064	4.3
69.95352	0.7
71.16226	0.7
73.26855	0.8
79.05489	5.7
81.07063	9.1
83.08624	1.8
85.02931	0.7
88.83672	0.7
91.05489	4.0
93.07048	11.5
95.04996	1.1
95.08612	11.2
97.06524	1.9
99.08071	5.1
105.07038	5.6
107.04966	1.1
107.08595	13.1
109.10166	11.2
111.08072	1.6
111.11701	0.8
117.06976	0.8
119.08602	9.1
119.62263	0.7
121.06508	1.1
121.10150	17.6
122.10422	0.9
123.08080	1.1
123.11715	7.8
125.05991	15.0
125.06842	1.3
131.08606	2.0
133.10124	12.6
135.08055	0.8
135.11671	4.4
139.07549	18.5
139.08606	1.3
145.10133	5.1
147.08101	0.9
147.11687	10.5
149.09552	1.1
149.13268	13.9
157.10155	1.5
159.08125	1.8
159.11681	1.6
161.09583	1.9
161.13257	1.3
163.07571	1.4
163.14847	1.6
165.09131	1.8
171.11684	1.3
173.09660	3.0
173.13249	1.9
175.11197	30.1
175.12683	1.6
175.14819	1.4
176.11537	1.3
177.09192	1.0
177.16360	1.7
182.10991	1.2
187.14825	8.2
189.12727	1.0
189.16356	5.4
191.10661	3.3
191.17953	21.2
192.18311	1.4
197.13327	2.3
205.15862	8.4
215.14333	19.4
217.15869	2.2
221.26031	0.8
233.15367	100.0
234.15685	5.3
235.16884	5.9
243.17451	1.1
245.15300	0.9
250.79288	0.7
257.19119	0.9
261.18527	2.3
275.20023	1.9
287.20148	2.9
301.21649	2.4
302.79926	0.9
313.21695	1.4
327.23239	2.4
329.24664	1.2
352.65161	0.8
423.32593	36.3
424.32986	2.6
448.22458	0.9
469.33432	0.8
483.34634	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	546.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71029	5.7
55.05508	8.2
57.07087	7.9
67.05515	28.7
69.07072	16.1
70.82896	10.5
71.08627	7.7
79.05502	13.8
79.94748	6.0
81.07071	21.3
84.74326	5.4
93.07072	11.5
95.08595	37.9
97.10167	6.5
105.07027	11.7
107.08617	23.0
109.10168	100.0
111.08088	75.2
111.11771	6.1
119.08604	15.7
121.10165	24.1
123.08072	75.9
123.11736	17.1
127.11167	32.9
133.10094	6.9
137.09668	6.4
137.13272	8.0
147.11736	9.4
161.13225	5.5
165.12688	7.4
169.12326	19.7
181.12300	16.8
214.68510	5.5
231.13400	5.9
275.23715	72.5
303.19821	8.2
303.23184	6.2
403.19232	8.8
433.23761	9.9
437.34192	13.3
451.27362	5.9
455.35141	12.8
460.22412	9.7
461.23422	11.7
510.53214	6.3
515.37445	6.0
519.26660	6.3
546.41620	51.0
547.27130	57.7
547.42120	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	547.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
67.89842	0.3
70.06573	0.7
70.57704	0.6
72.08173	0.5
84.08152	1.6
86.09705	1.0
90.05541	0.4
101.59893	0.3
135.37921	0.3
157.04790	0.3
170.03493	0.6
185.04221	3.5
187.03670	17.8
188.04401	3.4
205.12137	0.4
288.32831	0.3
326.81601	0.3
350.09821	4.0
351.10434	1.0
385.07632	0.5
385.12561	7.8
386.12701	0.5
547.17889	100.0
548.18280	10.1
548.26367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60538	0.4
66.54588	0.3
66.98708	0.3
69.76857	1.4
72.08127	0.4
88.33365	0.3
96.30043	0.3
98.23300	0.4
103.19247	0.4
110.30971	0.3
111.57805	0.3
131.36046	0.4
141.05212	0.3
144.55235	0.4
169.04756	0.5
170.03433	0.4
174.44810	0.3
185.04227	3.1
187.03671	16.3
188.04456	3.6
224.41005	0.3
275.40866	0.3
318.69449	0.3
350.09747	4.2
351.10480	0.7
367.20969	0.4
385.12607	8.1
385.17282	0.5
386.13156	0.6
508.49850	0.3
547.17871	100.0
548.18140	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	547.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
59.32256	1.1
61.35958	1.2
77.03920	1.2
79.05493	7.0
85.04395	1.1
87.34381	1.3
91.05497	5.5
95.04966	2.1
95.64114	1.1
103.05471	6.7
104.06248	1.6
105.07040	33.8
107.04955	3.4
115.05462	8.3
116.06252	2.5
117.03356	1.7
117.07033	1.3
118.04169	3.6
119.04950	6.8
121.06522	3.0
131.04913	6.8
131.08598	1.7
132.05730	3.4
133.02847	3.7
133.06497	22.9
133.10153	1.2
134.07101	1.2
135.04410	1.6
137.05963	5.1
143.04932	1.5
143.06010	1.9
143.63101	1.2
145.02873	2.1
145.06480	3.0
146.03633	1.8
147.04439	8.4
150.06758	1.9
151.07523	6.9
155.04939	2.6
157.10143	1.2
159.04425	1.8
161.05963	9.8
162.06775	2.0
163.03943	8.6
163.07568	4.3
165.05510	4.0
165.09167	3.0
167.07048	19.1
173.05988	4.9
177.05511	2.1
177.09174	1.4
178.06297	6.6
179.07037	9.4
181.04880	5.6
187.03909	16.9
188.04660	5.0
189.05417	3.7
193.06757	1.9
193.08609	43.6
194.09393	100.0
195.09821	3.0
201.05492	17.3
234.06834	2.9
235.07466	1.6
249.09369	1.9
262.06393	1.5
263.07169	1.8
266.05853	1.4
276.07947	1.9
277.08487	2.4
279.06540	1.6
280.07379	10.6
281.08041	1.7
295.09589	7.9
337.10678	2.7
355.11761	57.7
356.12054	3.8
515.16449	1.7
533.74304	1.2
547.34711	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	548.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01871	2.8
57.03439	4.6
57.07074	0.8
61.02929	8.7
67.05510	1.4
69.03429	17.5
69.07073	0.6
69.39933	2.5
71.01357	0.4
71.04993	2.6
73.02916	3.5
74.31694	0.4
75.60178	0.4
77.03910	0.6
79.05494	18.1
81.03424	6.0
81.07067	0.7
83.01324	0.5
83.04960	0.5
83.08115	0.4
85.02905	100.0
85.06543	24.0
86.03236	0.9
87.04465	1.8
88.67262	0.4
91.03965	5.4
91.05487	1.3
93.07043	1.1
95.04982	2.6
97.02892	25.3
98.03275	0.5
98.22696	0.9
99.04456	5.2
101.02370	0.6
103.03941	1.2
105.03392	23.1
105.07024	0.9
106.03738	0.4
109.02887	8.1
109.06534	0.8
115.03932	1.3
121.06516	0.7
121.10146	0.5
123.04430	70.8
124.04753	0.9
127.03918	26.9
128.04227	0.6
133.06487	0.7
135.08055	0.6
137.06007	1.4
145.04955	47.6
146.05302	0.9
147.08078	0.6
151.03835	0.5
151.07526	0.7
163.06018	21.3
164.06302	0.5
168.36070	0.4
181.07088	0.6
189.09119	5.5
207.10052	0.5
211.09601	1.1
229.10689	3.5
247.11934	0.6
267.08521	0.5
285.09668	2.1
325.11340	0.5
548.18323	1.1
548.34595	0.8
549.18762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01873	5.6
55.05500	1.1
57.03434	11.1
58.99589	1.2
59.04996	1.9
60.04528	1.5
60.10742	1.0
61.02932	9.2
69.03428	24.8
69.40487	3.1
69.40891	4.5
70.06596	9.0
70.43276	1.0
71.01337	1.5
71.04999	15.5
72.08157	4.4
73.02917	29.5
74.06059	1.2
80.74053	1.0
81.03414	6.9
84.04520	1.5
84.08160	2.5
85.02906	100.0
86.09711	4.6
87.04478	3.1
88.03960	1.3
91.03938	5.3
91.05489	2.3
97.02895	44.3
97.06549	1.8
98.22621	1.3
99.04460	3.2
101.02444	1.2
102.05553	1.9
103.03943	2.2
105.07030	1.7
109.02876	8.5
110.07159	1.6
111.04441	1.2
115.03932	16.4
127.03915	32.1
129.10306	1.5
133.04976	28.2
133.06505	3.1
135.04378	1.1
136.07597	1.9
145.04958	52.8
161.05994	3.8
163.06024	27.8
167.37065	1.1
169.04942	1.6
177.05446	1.7
187.03699	4.9
188.04091	2.7
193.08751	3.5
212.61514	1.2
213.12411	1.3
215.05544	3.4
217.07080	1.8
223.05933	5.4
241.07030	5.4
254.04814	2.6
257.67767	1.3
259.08112	13.2
277.09250	3.3
289.09244	2.2
295.10239	7.5
325.11362	5.7
342.55258	1.2
350.10614	5.1
368.11682	2.3
386.12839	4.7
548.18207	41.6
549.21442	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.03320	2.7
55.05512	21.9
57.03453	7.2
57.07077	12.5
57.10386	2.5
58.06224	2.7
60.55268	2.5
67.05508	72.0
68.05856	3.4
69.07076	30.7
69.49864	16.0
71.05030	4.5
71.08659	5.8
79.05509	21.9
81.07066	92.9
82.07413	6.3
83.04991	5.4
83.08633	20.4
85.02904	3.5
85.06564	3.0
91.05495	22.4
93.07047	28.9
95.01373	5.5
95.04985	4.3
95.08614	100.0
96.08949	5.0
97.02181	2.7
97.06544	9.3
97.10176	12.7
98.22639	3.3
99.08109	6.9
105.07039	24.7
107.08600	37.3
109.06526	3.4
109.10158	57.8
109.10827	5.1
110.10519	6.5
111.08088	8.0
111.11735	3.2
113.09652	4.3
119.08595	34.5
121.06599	4.2
121.10151	57.3
122.10512	10.2
123.08116	4.6
123.11713	28.6
125.08151	3.0
127.11230	6.7
131.08607	4.3
133.10143	36.2
134.10490	4.8
135.08046	4.2
135.11688	26.3
137.09613	4.7
137.13306	11.4
141.01837	5.8
143.08484	3.7
145.10136	10.2
147.11699	18.0
149.09645	4.5
149.13269	17.8
151.14792	5.4
157.10147	8.5
159.11746	10.3
161.13303	17.4
163.14857	12.4
165.12755	3.8
165.16396	6.8
167.14320	4.3
171.11781	3.5
173.13298	7.9
175.14799	15.7
177.16435	7.0
179.17973	4.8
181.12166	4.4
182.12659	3.7
183.11732	3.2
187.11104	3.6
187.14812	6.6
189.16345	19.9
191.18092	5.8
193.16017	4.4
200.11823	3.5
201.16536	5.4
203.17987	5.8
205.19701	3.5
206.19925	4.5
207.17400	4.4
217.19632	5.1
219.53441	3.5
221.15459	3.2
245.22646	53.0
263.23724	56.0
264.23969	4.1
290.22116	9.1
308.23212	4.3
337.27435	35.0
425.30603	5.1
434.31152	4.2
435.28384	3.8
442.34006	5.7
452.32745	6.8
453.29147	4.0
453.34482	4.7
470.33234	10.6
471.31097	3.5
512.34735	4.2
513.31238	4.8
530.35419	4.2
548.38849	3.7
549.31647	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	39.2
56.98336	5.1
57.03452	7.8
61.02958	6.9
62.33075	5.4
65.03973	7.4
66.13100	5.4
67.05511	100.0
69.03425	13.0
69.07070	24.8
69.14819	30.2
69.15249	17.7
79.05500	67.1
80.04612	5.6
81.07064	83.1
83.04990	10.0
83.08621	20.2
85.02923	7.5
85.06561	12.7
91.05484	50.0
93.07045	79.9
95.05002	12.2
95.08606	70.6
97.02907	9.4
97.06544	8.0
97.10180	21.3
98.23339	10.6
99.08139	9.8
105.07037	55.8
107.08617	74.9
109.06496	6.0
109.10162	71.4
111.08087	7.6
117.07021	13.7
119.08595	52.7
121.10157	50.2
123.08102	19.1
123.11724	13.2
125.09673	11.3
131.08589	15.4
133.10139	55.3
135.11691	46.3
139.11301	5.7
143.08640	13.8
145.10147	28.9
146.10559	6.0
147.08003	8.4
147.11691	41.6
149.09654	9.8
149.13281	21.7
157.10175	17.1
159.11699	31.4
161.09598	10.2
161.13278	25.2
163.11182	10.4
171.11618	8.4
173.11891	9.0
173.13335	15.3
175.14810	18.9
185.13281	13.7
189.11263	14.6
189.16298	6.4
191.14279	7.2
199.14835	10.4
209.13251	6.3
229.14311	29.2
241.19591	15.1
259.20584	42.9
277.21698	40.5
351.25327	95.5
548.27777	8.5
548.31860	9.4
549.31903	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	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.3
55.05508	24.2
57.03433	19.0
61.88396	7.6
66.61900	6.7
67.05504	84.0
68.88830	7.7
69.03408	8.9
69.07052	25.9
69.86093	16.0
69.86476	18.1
79.05499	58.9
81.07056	77.4
83.04954	9.3
83.08617	18.3
85.02913	8.9
91.05471	46.9
93.07049	69.4
95.08630	51.2
96.08900	7.0
97.02886	12.8
97.06540	15.2
103.74954	6.9
105.07039	57.8
107.08598	72.3
109.06504	11.3
109.10133	44.7
117.07018	12.6
117.18446	6.6
119.08580	59.4
121.06478	9.4
121.10154	49.0
121.10887	7.0
123.11671	17.3
125.09630	11.5
129.07016	16.8
129.24199	6.9
131.08543	27.9
133.10129	36.4
135.11685	28.5
143.08655	14.8
145.10121	28.9
147.11690	37.9
149.09601	10.4
149.13272	16.7
151.11102	12.1
159.11687	28.3
161.13341	14.8
165.12866	8.6
173.13220	18.0
175.14806	15.0
179.10797	7.1
185.13260	12.9
189.11256	8.5
229.14317	15.3
259.20502	36.2
277.21677	32.9
326.41855	7.1
351.25302	100.0
402.36792	7.6
495.29562	7.7
548.33374	9.0
555.49017	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	548.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	18.4
55.62679	3.5
57.03418	4.3
57.07077	8.6
59.03413	3.5
61.02925	7.4
67.05507	87.5
68.32750	3.7
69.07069	25.2
69.37390	7.1
69.37785	20.6
71.08637	9.2
72.72765	3.5
74.06606	3.3
79.05492	26.2
81.07060	91.2
83.08607	22.5
85.02903	6.5
91.03950	5.5
91.05487	13.2
93.07037	19.9
95.08606	75.6
97.06552	6.2
97.10171	14.3
105.07047	10.9
105.18931	3.7
107.08599	11.7
109.10181	40.0
111.08108	5.8
119.08584	9.0
121.10136	23.5
121.27509	3.6
123.11711	23.8
125.13341	3.6
133.10135	16.8
135.11720	12.9
137.13310	5.0
141.12843	4.4
147.11736	5.7
149.13245	11.8
151.14839	10.3
155.14265	3.7
161.13246	18.9
163.14827	16.8
165.16426	11.1
175.14815	17.1
179.17937	6.2
189.16260	4.8
235.09959	4.0
245.22649	66.5
263.23718	100.0
337.27353	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	548.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	17.3
57.03424	6.4
61.02924	6.3
67.05514	45.4
69.07084	20.5
70.36050	11.9
74.38712	5.0
79.05492	15.0
81.07057	74.9
83.08636	8.8
85.02931	6.0
86.73180	5.4
88.63182	5.5
91.05463	9.3
93.07054	17.5
95.08611	63.8
97.10187	7.2
97.86210	5.9
99.08089	6.1
105.07043	13.0
107.08614	7.5
109.10155	32.0
111.11729	6.0
119.08568	13.0
121.10151	18.0
123.11716	18.7
130.63698	6.2
133.10167	11.9
135.11722	9.3
136.92975	5.8
147.11700	15.2
149.13364	9.3
151.59125	6.3
161.13277	12.9
163.14857	10.6
165.16420	6.8
172.95255	6.3
175.14876	7.5
179.17934	6.7
189.16345	9.3
222.63081	5.5
245.08141	4.9
245.22670	73.6
263.23706	100.0
264.24042	6.0
337.27405	46.5
548.23926	6.1
572.58594	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	548.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.05507	5.5
57.07073	2.6
67.05508	11.8
69.07079	13.4
71.05004	4.3
71.87399	1.8
79.05499	6.6
81.07066	19.3
83.08635	2.3
91.05470	7.9
93.07055	16.2
95.04984	4.8
95.08606	28.3
97.06522	2.5
97.10220	2.8
105.07037	24.7
107.08597	28.9
109.06538	3.9
109.10162	17.6
111.11729	2.9
119.08591	21.5
121.10145	100.0
123.08089	6.2
123.11732	15.2
131.08583	7.6
133.10136	21.4
135.08072	5.3
135.11708	34.0
136.12067	2.2
137.09647	4.0
137.13283	7.0
138.99988	2.0
139.11191	5.9
143.08597	2.0
145.10158	8.2
147.11690	30.5
148.11983	1.9
149.09601	4.8
149.13269	7.0
152.28502	1.8
157.10106	2.4
158.10979	2.4
159.11676	9.2
161.09515	1.8
161.13266	6.6
163.11223	2.6
163.14795	14.9
165.12767	6.9
167.10641	1.8
173.13275	20.1
175.11246	1.8
175.14874	3.5
177.12820	2.1
181.12212	2.8
187.14816	4.3
189.16405	5.5
191.14320	43.5
191.17975	3.2
192.14717	1.8
201.16408	3.4
209.15306	14.5
213.16338	3.1
215.17993	6.5
217.19501	3.7
229.15767	1.9
233.19057	3.7
243.20995	3.3
245.19011	10.1
249.18599	2.3
251.17690	2.0
261.18320	2.0
261.22229	7.6
289.21548	2.8
297.16949	34.9
298.17111	2.2
407.33136	5.6
425.33954	9.2
435.32297	3.7
453.33636	8.2
469.33044	2.9
471.34460	2.7
485.35944	5.6
495.34427	6.0
513.35797	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	548.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60784	0.6
53.03965	0.7
55.05509	2.9
57.07072	2.6
65.58551	0.6
67.05506	7.8
69.03432	0.7
69.07071	9.0
70.81178	1.7
71.08631	0.7
72.92641	0.7
79.05495	7.3
81.07063	18.1
83.08620	4.1
91.05489	4.2
93.07054	11.7
95.04963	1.2
95.08612	31.6
97.10181	1.9
105.07039	13.2
107.08601	19.1
109.06497	1.2
109.10159	21.5
111.08078	1.7
111.11732	3.3
119.08581	9.9
121.10147	100.0
122.10484	2.2
123.08041	3.4
123.11713	27.8
124.12064	0.8
125.05935	0.8
125.09632	0.8
131.08580	2.4
133.07588	0.6
133.10127	8.1
133.49942	0.6
135.08070	0.6
135.11700	7.8
137.09753	0.7
137.13251	5.9
139.07475	0.8
139.11176	2.7
143.08591	0.7
145.10130	3.1
147.11679	3.8
149.09627	20.6
149.13237	7.9
151.11174	2.7
151.14828	1.9
153.09145	0.9
157.10120	1.3
159.11667	4.6
161.13232	3.5
163.11230	0.8
163.14798	6.1
165.09137	0.7
167.10683	12.6
171.11697	1.4
173.13252	4.8
175.14783	3.1
177.09135	0.7
177.12778	1.1
177.16391	12.4
179.14314	0.8
179.17888	0.6
185.13222	1.3
187.14787	2.4
189.16393	2.6
191.14326	1.3
191.17946	3.2
195.17462	1.0
199.14848	0.9
201.16298	1.3
203.17958	3.6
203.55661	0.6
205.19525	2.5
207.13866	0.9
213.16479	0.9
215.18030	0.7
217.19522	3.5
219.13823	1.7
219.17488	0.9
219.21114	2.6
221.15346	1.1
223.16986	2.6
227.18097	0.9
229.19482	1.3
233.15379	0.9
237.14931	1.2
241.19528	0.9
243.20972	0.9
247.16931	0.8
255.21225	0.9
257.22604	1.0
259.24240	6.9
261.18509	1.4
269.22382	0.9
273.18484	1.2
275.20041	1.7
277.25259	1.3
287.20132	0.9
293.03217	0.6
301.21667	1.9
315.23132	2.0
379.33655	2.1
397.34665	17.6
398.34833	1.2
407.33072	1.7
425.34149	30.6
426.34436	2.1
443.35214	14.5
444.35342	1.8
471.34344	1.1
485.36273	2.4
495.35065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35823	6.7
57.07088	7.6
60.37922	7.2
66.14526	6.7
67.05524	42.9
67.59005	7.7
68.50623	7.2
69.07090	25.2
71.26552	7.2
78.70175	6.7
79.05514	18.1
81.07067	60.1
83.08634	8.4
85.70028	6.9
91.05503	18.5
93.07033	37.9
95.08624	94.2
96.56034	7.1
105.07049	27.2
105.88833	7.3
107.08614	62.0
109.06537	9.8
109.10178	57.2
111.08087	8.1
119.08603	59.0
121.10168	51.6
123.11717	77.0
131.08595	22.9
133.10143	39.4
135.11691	44.4
137.13287	23.8
145.10170	26.8
147.11710	28.5
149.13275	25.2
151.11237	7.5
159.11728	27.2
161.13316	20.8
173.13261	18.7
175.14935	16.1
185.13254	9.6
187.14876	20.0
189.16400	59.7
197.46768	7.2
199.14816	9.9
201.16373	14.5
209.15421	14.3
213.16492	9.5
217.15973	8.4
229.19576	43.0
243.21188	9.3
244.90744	8.9
245.22694	14.2
289.21631	18.9
319.49503	7.7
407.33127	11.2
421.34854	14.7
425.34332	14.5
439.35669	100.0
440.36172	8.2
471.38336	26.5
513.36017	8.7
539.63141	8.3
574.90442	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	549.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.2
60.04523	1.3
63.09673	1.3
69.44144	1.3
70.06584	1.8
71.30601	1.5
84.08144	1.6
86.09737	2.7
95.98898	1.3
98.97602	3.4
110.97618	1.5
128.98656	1.8
219.01785	2.3
237.02882	4.0
246.00574	1.6
355.03195	1.3
369.05038	1.8
387.06613	2.1
405.07007	2.8
484.28812	1.5
549.12195	100.0
550.12347	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	549.1236
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
68.36316	0.1
70.97529	0.1
70.97858	0.1
77.23743	0.1
81.03416	0.1
82.84846	0.1
85.02897	0.2
97.02840	0.1
109.02916	0.1
109.15051	0.1
127.03912	0.1
149.05966	0.2
153.01759	0.7
175.03946	0.1
229.04913	0.4
258.05231	15.2
259.05557	0.7
286.04694	35.6
287.05026	1.3
301.07037	100.0
302.04004	0.2
302.07373	3.7
302.87314	0.1
429.52484	0.2
463.12277	1.5
464.12656	0.2
531.10980	0.2
549.12390	2.6
550.12555	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	549.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
68.99826	0.2
69.03426	0.4
73.35229	0.2
81.03419	0.3
83.04980	0.2
85.02898	0.3
86.09699	0.3
91.05479	0.2
95.08664	0.2
97.02881	0.2
105.07011	0.3
107.04974	0.2
109.02872	0.2
119.04922	0.3
121.06524	0.3
131.04947	0.3
135.04503	0.4
137.05997	1.0
149.06055	0.3
151.03914	0.4
153.01820	2.1
167.07062	0.7
171.02856	0.3
177.05490	0.4
181.05031	0.2
191.07002	0.3
229.04930	0.3
230.10782	0.2
240.63503	0.2
258.05234	14.8
259.05606	0.7
271.06033	9.3
272.06403	0.3
286.04715	36.4
287.05475	21.8
288.05804	1.0
301.07059	100.0
302.07425	4.9
369.13361	0.3
463.12204	1.3
517.19324	0.3
531.14520	0.4
548.34222	0.7
549.11737	1.9
549.20282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18199	0.3
58.87946	0.4
62.74259	0.4
64.45027	0.4
69.06651	2.8
69.07053	0.8
76.18806	0.4
79.61208	0.3
94.30893	0.4
165.51463	0.5
185.04245	3.1
189.05225	18.4
190.05943	2.2
352.11331	1.5
353.12170	0.5
386.12881	0.4
387.14117	9.0
387.18839	0.7
388.14230	0.7
500.07831	0.4
549.19415	100.0
550.19775	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	549.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26067	0.4
61.54361	0.4
61.86159	0.4
69.06664	3.3
69.06992	0.7
69.31403	0.3
70.44835	0.4
85.37986	0.4
103.06554	0.4
105.79115	0.3
133.43605	0.4
144.35214	0.4
160.90611	0.4
173.05827	0.4
185.04192	2.6
189.05229	17.7
190.06018	2.7
225.14957	0.4
233.61961	0.4
352.11365	2.0
365.12439	0.4
377.08759	0.4
387.14093	11.3
388.14401	0.9
498.08185	0.5
501.17270	0.5
549.19421	100.0
550.19751	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	549.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01866	2.5
55.50909	0.8
57.03181	0.9
57.03434	3.8
57.85843	1.0
61.02926	4.8
65.03924	1.1
67.05505	2.3
69.03428	18.1
69.07065	1.5
69.56236	4.9
71.04981	3.2
73.02902	3.8
75.98981	0.8
79.05493	2.5
79.16442	0.9
80.05001	1.7
81.03421	6.3
81.07049	3.5
83.04961	0.8
84.08159	0.9
85.02905	25.0
85.06518	0.9
87.00825	3.8
87.04447	2.1
89.03913	1.6
91.03942	0.9
91.05486	3.4
93.05798	5.3
93.07046	2.4
94.06554	2.4
95.04967	2.6
95.08601	1.7
97.02890	10.1
99.04477	2.6
103.05468	1.1
105.01856	6.2
105.07016	4.4
107.07334	0.9
107.08592	1.6
108.08121	19.5
109.02876	5.5
109.06533	1.0
116.04978	3.7
116.05698	0.8
119.08577	1.2
120.04471	1.1
120.08120	1.9
121.06520	1.9
121.10131	1.0
122.06035	14.6
123.04409	1.0
123.08065	1.8
127.02371	0.8
127.03924	12.2
131.04906	1.2
132.70862	0.8
133.10146	1.6
135.04391	1.0
135.08070	0.9
136.07578	100.0
137.05963	4.3
137.07913	2.3
142.54359	0.8
144.04445	10.8
145.04950	4.8
145.10127	1.7
146.06004	1.5
147.11694	1.5
148.07605	2.9
149.05946	1.1
151.07497	0.9
151.22379	1.0
159.02895	1.7
159.08064	1.0
162.05522	3.6
163.11130	1.0
164.07056	4.2
166.08595	1.0
167.07033	3.3
172.03940	54.9
173.04382	1.6
174.05511	4.2
176.07079	5.4
177.05476	1.7
181.04897	1.6
189.04051	0.9
190.05002	2.5
191.10692	1.0
192.06581	2.7
196.09895	1.5
202.05005	5.4
204.06563	81.1
205.06909	2.9
207.13857	1.8
220.06096	2.1
223.08646	1.1
231.04974	3.6
234.07603	19.5
235.08363	1.1
236.09297	2.3
237.10329	1.6
249.06424	1.5
249.10281	2.8
251.11780	1.4
253.09651	1.5
255.06525	0.9
255.11322	2.6
263.08170	1.0
265.09641	1.1
266.10468	1.9
277.09671	2.5
279.11246	1.8
281.09088	1.8
293.09155	1.2
294.09872	1.5
295.10559	1.8
307.10672	1.3
309.08823	1.5
309.12305	2.7
325.11771	1.3
327.09872	1.5
327.13422	2.6
337.11707	1.9
339.13394	28.2
340.13654	2.6
355.12881	36.3
356.13101	1.7
369.14496	1.1
371.16150	2.0
387.15485	24.7
388.15915	1.8
485.15671	2.2
499.12695	1.0
517.18280	13.9
518.18268	1.2
531.13837	2.6
549.20734	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	549.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.7
56.85854	3.7
57.03438	8.1
59.05009	5.8
61.02913	5.2
67.05504	7.2
69.03448	20.7
69.54705	11.9
69.55100	6.9
70.06588	4.2
71.04976	3.8
72.08163	5.8
75.57536	4.5
79.05502	12.0
81.03438	6.2
81.07071	16.5
83.04987	4.4
85.02905	45.7
86.09702	7.7
87.00887	4.1
91.05476	17.7
93.07047	11.4
95.04941	6.8
95.08604	10.1
97.02904	19.3
105.07050	19.7
106.07336	4.5
107.05007	6.3
107.08606	21.7
107.49550	4.4
109.02891	4.7
109.06519	11.9
109.10137	10.1
114.14167	3.9
119.08584	13.3
121.06520	13.2
121.10174	4.2
123.08060	23.9
123.91714	4.4
124.85495	4.1
127.03938	13.3
131.08575	12.7
133.10147	14.9
135.08063	7.0
137.05988	12.0
137.09621	20.1
143.08566	5.3
145.04977	17.2
145.10202	7.1
147.04404	8.7
147.11707	11.9
149.09621	11.2
151.07545	9.4
151.11147	8.5
158.10776	5.9
161.13206	6.1
163.06015	4.2
163.11180	8.7
165.12773	4.7
167.07100	6.6
173.13290	23.8
175.14857	5.0
176.22932	4.0
177.12753	18.7
181.12282	5.0
189.12733	14.0
191.14395	9.5
207.13786	100.0
210.48195	3.7
225.14981	10.8
369.19119	6.3
425.34195	4.1
531.16443	4.8
549.17548	31.8
549.25952	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	550.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86987	1.0
51.05990	0.8
57.03445	2.2
69.03436	4.1
71.03309	2.1
81.03424	1.5
84.67149	1.1
85.02910	14.6
89.03919	1.6
91.03976	1.1
95.01338	2.4
97.02912	4.8
107.04980	1.5
109.02875	1.5
109.95307	1.0
117.03388	2.9
123.04420	1.6
127.03931	1.3
135.04424	9.2
138.03111	1.9
139.03920	4.2
141.01880	1.3
145.02875	8.0
145.04868	1.9
147.04427	4.8
149.02379	3.1
153.05469	100.0
154.05832	2.4
161.06006	1.9
163.03908	97.5
164.04250	2.6
175.03932	2.5
177.01884	4.9
177.03969	2.2
177.05472	2.7
181.04956	3.1
187.03976	1.1
189.05537	2.9
190.29854	1.0
191.03423	1.9
195.06537	55.7
196.06894	1.8
196.80296	1.1
203.03406	50.1
204.03673	1.7
205.04953	6.2
215.03427	6.6
215.79829	1.0
217.04970	1.4
221.04533	1.5
229.04968	1.6
231.02888	6.3
233.04391	5.5
235.06021	1.2
241.04935	1.1
261.04001	7.3
275.05478	2.6
279.04974	11.8
291.05023	15.4
303.04965	3.1
321.06079	8.7
339.07120	55.7
340.07349	1.3
371.09772	4.1
551.23596	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
54.45287	0.8
55.01870	6.8
55.05498	0.7
57.03432	5.3
58.35816	0.7
60.15828	0.7
61.02935	7.0
68.99800	2.8
69.03429	36.4
69.07076	0.9
69.82037	2.3
70.06603	1.4
71.01341	1.7
71.04660	0.9
71.04986	4.3
73.02908	5.8
79.05479	1.5
81.03420	21.2
81.07069	1.6
85.02905	100.0
85.06493	0.9
86.03301	1.2
86.09724	0.7
87.00829	45.3
91.03973	1.2
91.05469	1.4
93.07054	1.2
95.04961	1.1
95.08610	0.9
97.02894	32.1
99.04455	12.4
103.03967	2.2
105.01866	73.1
105.07033	10.0
107.04887	1.0
107.08624	1.0
109.02875	27.2
111.04408	0.8
115.03929	1.6
117.01834	2.0
117.07028	0.8
119.08572	1.8
120.08098	0.9
121.10120	1.1
123.08049	1.1
127.03916	75.5
128.04262	1.2
129.01843	3.7
131.08531	1.7
133.06459	1.2
136.07562	1.4
137.05992	1.9
137.09532	0.8
143.08585	2.2
145.04961	28.8
145.10143	1.1
146.05209	1.4
147.02879	2.1
147.11661	0.9
149.06020	0.9
151.03964	1.0
158.10963	0.8
159.02878	9.8
167.07063	1.5
173.13281	4.6
177.05466	1.1
180.08649	1.0
187.06113	1.0
189.03940	4.7
189.09126	1.0
191.14351	1.6
205.06891	0.8
208.14084	0.8
213.03841	4.7
213.09093	3.8
231.04999	32.0
231.10121	2.2
232.05296	0.9
249.06038	9.8
253.07047	1.1
285.32489	0.7
287.05405	0.9
335.11270	1.1
533.17194	2.0
550.20770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.01876	6.5
57.03439	5.8
61.02679	0.8
61.02933	6.7
67.05504	1.1
68.99815	1.7
69.01263	5.2
69.01669	1.5
69.03431	33.3
71.04995	4.6
72.41821	0.8
73.02915	6.9
79.05496	1.8
81.03419	22.6
81.07066	2.1
83.01340	0.9
83.04990	1.7
85.02906	100.0
86.03245	1.4
87.00832	47.8
87.04469	1.3
91.03971	1.3
91.05464	1.9
93.07050	2.2
95.08596	1.3
97.02896	32.2
97.06535	0.7
99.04454	11.5
100.29219	0.7
101.02364	1.7
103.03940	1.2
103.05467	0.9
105.01869	78.6
105.07030	17.7
106.02201	1.0
107.08588	1.2
109.02879	27.9
109.10175	0.9
115.03903	1.2
117.01841	3.0
119.08594	2.0
121.06484	1.1
121.10161	1.7
123.02911	1.3
123.04464	0.7
127.03917	82.7
128.04271	1.0
129.01852	2.0
131.08549	1.1
133.06503	1.2
133.10164	0.9
135.08044	0.8
136.07596	2.0
137.05998	1.6
137.07880	0.8
143.08554	2.1
145.04958	28.4
145.10051	0.9
147.02902	1.8
147.08049	1.4
157.10074	0.9
159.02898	8.8
161.05989	0.8
163.11174	1.6
165.65178	0.7
167.07101	1.0
167.10718	1.2
171.02911	1.4
173.04384	1.0
173.09581	0.9
177.03848	0.8
181.05054	1.0
181.12213	0.8
185.09639	1.5
189.03941	4.8
189.09158	1.1
195.00162	0.7
202.05020	1.3
204.06529	1.5
205.06857	1.2
213.03947	3.8
213.09087	7.7
216.03252	0.7
220.84880	0.7
231.05003	35.5
231.10025	4.6
232.05409	1.1
234.07675	3.0
235.07956	2.9
249.06058	11.5
317.10233	2.0
335.11252	2.5
353.12238	1.0
356.13394	1.7
388.15598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68592	0.4
53.03952	0.9
55.05503	1.3
57.03432	1.0
57.07069	0.5
61.02916	0.7
65.03939	0.7
67.05506	2.2
69.03432	2.5
69.07055	2.6
70.06593	0.4
70.33015	0.4
71.04966	0.5
72.08163	0.4
73.02908	0.6
78.57221	0.4
79.05493	3.5
81.03405	0.9
81.07052	3.1
83.08598	0.6
85.02910	4.2
87.04425	0.4
91.05483	9.3
93.07061	2.0
95.04962	1.5
95.08607	1.7
97.02905	1.9
99.04443	0.4
103.05471	1.2
105.07034	11.8
107.04971	0.6
107.08609	3.5
109.02885	0.8
109.06501	0.8
109.10135	1.0
111.44973	0.4
115.05452	1.7
116.06258	2.1
117.07029	4.7
119.04979	0.6
119.08584	16.9
120.08118	0.5
121.06532	0.7
121.10140	3.2
123.08069	0.9
125.24915	0.4
127.03891	1.0
128.06221	1.2
129.07014	7.5
130.07797	2.3
131.08565	24.5
132.08952	0.7
133.10129	8.4
134.10489	0.5
135.08063	1.9
137.05980	1.3
142.07762	0.6
143.08559	17.9
144.09348	4.4
145.04939	1.1
145.10121	13.9
146.10558	0.5
147.04379	1.1
147.11697	2.2
149.09618	1.1
149.13231	1.7
151.11165	0.7
156.09337	1.0
157.10101	0.8
158.10907	18.4
159.11269	0.4
161.05931	0.9
171.11671	0.4
173.13260	100.0
174.13634	3.7
175.14816	15.2
176.15147	0.5
179.07140	0.5
189.05208	0.5
191.14310	20.4
192.14601	0.9
193.15794	0.4
207.13777	1.3
208.14157	1.0
209.15408	2.1
230.17424	0.6
353.19455	0.6
355.38196	0.4
388.14386	0.7
408.83755	0.4
410.70789	0.4
473.77936	0.4
495.34824	0.4
532.15900	0.4
550.19910	8.1
551.17780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.2
57.07088	4.0
67.05517	16.2
69.07067	17.5
69.87696	6.3
69.88085	6.5
71.04981	6.8
72.51328	2.6
79.05512	15.4
81.07063	42.9
83.08636	8.8
85.06547	18.1
91.05487	17.2
93.07044	40.8
95.04933	2.8
95.08615	58.3
97.06545	5.8
97.10201	4.4
99.08095	3.1
105.07033	46.1
106.17320	2.5
107.08598	69.1
107.09277	4.6
108.08932	3.3
109.06541	7.4
109.10163	43.6
111.08123	5.2
117.07015	4.8
119.08588	66.8
121.06519	3.6
121.10155	43.5
121.94447	3.1
123.08097	7.8
123.11733	19.9
131.08577	13.9
133.06508	4.2
133.10136	65.3
135.08171	4.1
135.11691	54.8
135.94397	2.6
137.09621	4.5
137.13235	6.8
143.08588	4.5
145.10127	21.4
147.11705	45.2
149.09602	5.7
149.13261	40.5
149.46744	2.7
151.11186	4.1
157.10147	7.5
158.10869	4.2
159.11699	24.1
161.09630	6.0
161.13263	29.7
163.14822	20.9
164.79691	2.7
165.12752	5.7
171.11717	8.2
173.13260	19.2
175.11256	5.6
175.14832	76.3
177.12804	7.2
177.16415	5.4
179.14357	4.9
183.11636	4.0
185.13313	8.9
187.14850	9.4
189.12787	4.8
189.16380	66.1
191.14331	25.2
191.17967	18.1
193.15901	46.3
199.14835	5.8
201.12831	4.0
201.16415	8.7
203.14273	4.2
207.17513	13.4
209.13217	3.8
211.14778	4.8
213.16373	5.7
215.17892	5.6
217.15909	24.3
219.13876	9.1
219.17479	11.1
221.15474	5.3
225.16411	6.8
227.18042	8.3
231.17438	5.8
235.16884	20.5
239.18204	4.3
243.17494	5.3
245.18924	6.9
249.18469	4.0
253.19432	5.2
255.17537	5.4
273.18408	5.6
277.18033	6.1
283.20621	3.9
287.20062	5.1
367.30093	15.6
381.31509	51.8
382.31805	4.9
385.31308	4.2
391.29846	16.8
409.31036	100.0
409.36447	5.3
410.31464	10.3
427.32465	18.3
441.33371	7.7
451.31970	7.2
469.33206	89.8
470.33499	11.1
487.34131	11.3
538.81140	3.2
550.37372	12.6
551.33612	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	550.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05518	5.7
57.07077	2.3
61.54357	0.9
62.04239	0.8
65.03941	1.1
67.05508	7.1
69.07079	9.6
69.12850	6.6
70.10032	1.0
71.04993	2.6
79.05502	7.3
79.20332	0.8
81.07061	17.2
83.08615	3.3
85.06544	6.0
88.20469	0.8
89.53072	0.9
91.05491	6.8
93.07051	21.1
94.07369	0.8
95.04961	2.2
95.08610	28.9
97.06518	1.7
98.72287	1.0
104.80071	0.9
105.07038	14.4
107.08599	38.7
108.08943	1.6
109.06496	2.4
109.10162	16.3
111.08108	2.2
111.24009	0.8
113.09670	1.2
117.07001	2.1
119.08585	17.5
121.06471	1.9
121.09289	2.0
121.10146	35.5
122.10448	1.1
123.08061	3.0
123.11707	17.4
125.05998	2.3
125.09583	1.2
129.07021	1.2
131.08563	6.1
133.10139	18.5
135.08017	1.7
135.11703	15.7
137.09619	3.0
137.13281	9.5
139.07506	1.2
143.08540	2.9
145.10144	9.4
147.08022	2.3
147.11691	17.8
147.12762	1.6
149.09608	2.2
149.13266	44.5
150.13593	1.1
151.11162	2.6
155.08475	1.1
157.10085	4.3
158.10866	1.5
159.08022	1.3
159.11703	14.4
161.09633	4.2
161.13261	8.7
163.11218	1.7
163.14828	14.4
165.12761	7.2
169.10078	1.8
171.11720	3.5
173.09628	2.4
173.13263	11.6
175.11185	10.9
175.14766	5.7
177.12752	6.5
177.16379	4.1
183.11670	3.7
185.13280	3.5
187.11115	1.1
187.14799	5.3
187.52670	1.1
189.12724	1.4
189.16406	9.3
191.14369	4.1
191.17966	14.4
192.18198	0.9
193.15848	1.1
195.11725	1.2
197.13281	3.4
199.14854	3.2
201.12753	9.7
201.14526	1.4
201.16367	7.0
203.14369	3.7
203.18063	2.0
211.14828	2.5
213.16351	3.5
215.17833	1.7
217.15892	9.0
217.19427	1.0
219.13837	29.8
219.17375	4.1
220.14143	2.1
221.15346	1.1
225.16425	1.8
227.14279	1.2
227.17996	3.4
229.15895	11.7
230.16273	1.6
231.17410	2.2
233.18819	1.1
239.17984	1.7
243.17432	1.7
245.18997	2.6
247.17015	6.9
253.19559	2.0
255.17371	2.2
257.18936	2.2
261.18607	2.4
265.17911	5.8
269.18988	2.7
273.18494	33.5
274.18845	2.7
275.20200	1.4
277.17978	3.0
287.20068	4.1
289.21497	1.3
290.78577	1.0
291.19577	2.8
301.21646	1.4
315.23343	1.8
337.19846	1.0
373.29050	1.2
381.27823	14.4
381.32202	1.5
382.27942	1.0
391.29916	14.1
409.31012	100.0
410.31525	7.5
427.32117	57.3
428.32635	4.5
437.34384	1.7
451.31866	1.1
455.31174	1.1
469.33136	8.6
486.36658	1.3
487.33932	2.5
501.35626	1.1
515.79663	1.0
550.37848	13.4
551.33606	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	550.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05514	3.8
57.07077	1.3
59.05016	1.1
62.40358	1.0
63.07706	0.9
67.05505	7.4
69.03421	1.6
69.07078	9.3
69.71259	1.7
69.71658	3.3
71.04992	2.9
74.10715	1.0
77.26568	0.8
79.05497	8.3
81.07057	19.0
83.08627	3.7
85.06540	10.6
89.06920	1.0
91.05496	7.6
93.07052	21.9
95.04996	1.8
95.08611	29.1
97.06532	2.8
97.10159	1.0
98.23262	1.0
99.08131	1.1
105.03385	1.0
105.07034	20.5
106.07384	1.1
107.08597	44.0
109.06532	3.6
109.10161	19.2
111.08082	2.0
113.09651	1.9
117.07045	1.9
119.08589	23.6
121.06540	1.5
121.10146	29.7
123.08101	5.2
123.11708	16.5
124.12026	1.2
125.05994	1.3
129.07022	1.7
131.08553	5.6
133.10132	25.4
135.08072	3.9
135.11708	18.8
137.09622	3.6
137.13254	8.0
139.07573	3.0
143.08565	5.3
144.08972	1.0
145.10149	11.8
147.08115	2.3
147.11685	21.2
149.06003	1.4
149.09644	3.8
149.13257	45.2
150.13666	1.6
150.32329	0.9
151.07529	1.5
151.11206	1.8
155.08565	1.6
156.09425	1.5
157.10164	7.2
159.08083	1.9
159.11694	16.8
161.09622	4.1
161.13266	11.7
163.11230	2.4
163.14821	16.1
165.09132	1.2
165.12881	1.3
169.10158	2.6
170.10936	1.2
171.11719	7.4
173.09721	1.8
173.13277	12.9
175.11208	10.5
175.14842	14.7
175.16238	1.6
175.31024	1.0
177.12758	6.9
177.16377	2.0
178.57248	0.9
183.11720	4.9
185.09619	1.6
185.13258	9.8
187.11270	1.1
187.14809	5.0
188.15408	0.9
189.12737	3.3
189.16405	24.8
190.16747	1.3
191.10703	1.1
191.14362	7.3
191.17966	17.5
191.19524	1.7
193.15866	6.1
195.11832	1.0
197.13292	2.7
199.11227	1.6
199.14868	4.1
200.15436	1.0
201.12740	8.9
201.16389	9.6
203.14287	8.3
203.17839	2.0
205.16086	1.3
207.17433	1.8
209.13211	1.6
211.14848	3.1
213.16431	4.2
215.17955	1.2
215.55836	0.9
217.15877	11.2
217.19386	1.0
219.13818	29.3
219.17477	4.4
220.14209	2.1
221.15421	2.3
225.16341	1.6
227.14362	2.7
227.18004	3.4
229.15889	11.7
231.13867	1.0
231.17352	2.0
233.15273	1.2
235.16965	2.5
237.16594	2.2
239.18021	1.1
241.19571	1.2
243.17448	2.7
245.15306	6.3
245.19083	1.2
247.16985	5.9
249.18579	2.3
253.19562	1.3
255.17343	3.1
257.19067	1.6
259.13339	1.5
261.18527	2.2
265.17947	5.5
269.19086	1.7
271.20602	1.4
273.18506	34.7
274.19067	1.8
275.20166	3.7
277.18045	2.1
283.20609	1.7
287.20065	4.2
289.21710	1.4
291.19608	3.2
301.21860	1.8
315.23282	2.2
365.28445	1.1
367.29993	1.2
373.29340	1.3
381.27829	13.5
381.31763	3.5
382.28210	2.3
391.25385	1.4
391.30008	16.4
395.29611	3.6
409.31027	100.0
410.31345	10.6
419.29672	1.8
427.32135	70.2
428.32480	5.2
437.30655	5.4
451.32150	1.4
455.31918	8.4
469.33179	49.6
470.33417	5.2
479.31287	1.9
487.34265	3.4
497.32678	15.9
515.33777	25.2
516.34198	1.8
540.30682	1.0
550.38013	6.8
551.32990	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	12.3
57.03428	3.6
57.07085	4.5
60.46750	2.2
65.17106	2.2
67.05510	22.7
69.03420	3.5
69.07079	20.1
69.38441	13.9
71.08653	3.1
75.04922	2.4
78.05250	2.3
79.05492	14.0
81.07063	55.1
83.08625	8.2
91.05478	11.5
92.03947	2.2
93.07054	35.2
95.04977	3.3
95.08614	78.8
97.06519	3.5
97.10212	3.1
98.22659	4.9
99.08146	3.4
105.03399	5.7
105.07034	35.5
107.08607	43.2
109.06525	6.9
109.10165	64.8
110.10529	3.4
111.08089	4.9
111.11716	5.9
117.07028	4.6
119.08585	45.4
121.06529	4.3
121.10153	100.0
122.10542	4.1
123.08080	5.1
123.11722	41.0
127.11268	3.0
128.06169	2.8
131.08575	14.8
133.10147	32.0
135.08047	4.3
135.11705	34.2
137.09648	4.0
137.13261	19.4
139.07593	3.8
141.09187	2.6
143.08496	3.1
145.10147	21.3
147.08054	3.1
147.11700	38.3
149.05959	4.0
149.09624	3.4
149.13274	24.9
156.09406	2.8
157.10164	6.4
159.11707	20.8
161.09659	5.7
161.13235	15.8
163.11238	3.7
163.14830	11.1
165.12773	45.4
167.14328	3.7
171.11758	6.2
173.13252	16.5
175.11218	5.1
175.14783	14.0
177.09106	2.6
177.12794	3.0
177.16400	11.1
178.54292	2.6
179.14348	2.9
181.12238	3.7
183.11763	2.7
185.13260	7.1
187.14789	18.4
189.12724	3.5
189.16391	22.1
191.10623	2.8
191.14256	4.1
191.17947	13.5
193.15851	2.9
199.14905	3.9
201.12778	4.7
201.16409	6.8
203.14368	4.4
203.17952	10.2
205.19504	10.3
212.02185	2.4
217.19690	6.3
219.13823	5.9
221.15318	5.9
225.16418	3.9
227.17929	3.9
229.19368	3.3
231.21210	2.4
233.15421	14.7
233.19063	2.9
243.21114	3.4
247.16983	4.8
247.20578	4.2
249.18509	4.9
251.16434	2.8
259.20422	3.9
261.18469	5.6
271.20648	3.5
279.15707	3.0
281.22757	5.1
313.21570	6.4
327.23236	4.3
341.24722	6.0
389.26950	7.8
401.26892	7.2
409.34692	8.8
410.35040	4.0
419.28006	4.0
425.34042	12.3
431.28024	3.8
437.34610	15.3
455.30408	4.7
455.35791	4.9
469.36710	6.4
473.32504	9.1
485.36386	11.9
497.36292	21.9
499.19446	3.0
515.37646	18.9
550.31958	11.3
551.33630	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	550.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67221	1.7
53.03952	1.9
53.86258	1.8
55.05508	2.7
57.07091	2.8
60.97703	1.9
67.05494	8.6
69.07072	8.6
71.04977	2.2
79.05483	5.9
81.07064	13.1
83.08624	3.5
91.05479	6.1
93.07048	12.4
95.04949	4.2
95.08615	21.5
97.06519	4.6
99.08062	3.6
105.07040	16.1
107.08599	12.8
109.10168	15.7
111.08079	100.0
119.08572	12.6
121.10144	96.1
122.10516	2.5
123.08065	34.8
123.11711	11.4
125.09587	2.2
131.08504	2.0
133.10124	9.0
134.64740	2.3
135.11681	6.8
137.09644	22.2
137.13261	5.5
139.11172	3.1
145.10117	7.0
147.11684	13.9
149.13216	3.1
150.73720	2.5
151.11108	2.3
159.11707	3.5
161.13252	4.1
163.11179	3.5
163.14854	2.8
165.12737	24.1
181.12250	2.2
183.27754	1.8
191.17976	3.2
219.62802	1.9
229.19556	2.1
229.38766	2.1
260.23773	2.7
275.23703	50.2
276.23895	2.9
346.33789	1.9
400.22543	1.9
427.31793	3.3
505.32632	4.5
551.32715	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	550.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.4
57.07063	5.6
67.05501	12.5
69.07076	20.6
69.25085	20.8
79.05498	13.3
81.07053	31.1
83.04955	5.0
83.08620	9.2
86.09689	9.2
88.98568	4.0
91.05482	5.1
93.07045	16.0
94.07375	5.2
95.04980	3.9
95.08603	45.9
97.10168	4.3
98.23460	4.6
105.07044	24.9
107.08601	32.2
108.08911	4.0
109.10172	31.4
111.08103	4.5
111.11732	5.6
119.08572	28.8
121.06520	4.7
121.10155	49.0
122.10450	5.0
122.37650	3.4
123.08057	5.5
123.11678	21.9
125.00031	9.5
125.05971	3.8
125.09601	5.3
131.08569	4.4
133.10129	25.6
135.08028	6.5
135.11702	20.0
137.09618	6.1
137.13293	13.2
143.08414	3.4
145.10147	15.3
147.11670	20.5
149.13280	9.0
151.11090	3.4
153.09148	4.7
157.10193	5.8
159.11729	10.7
159.53696	3.6
161.13231	11.3
163.11197	5.6
163.14836	5.1
165.12799	6.4
171.11644	3.6
173.13245	6.9
174.13557	3.6
175.11099	5.4
175.14853	10.2
177.16405	7.9
179.10693	4.6
184.07310	35.0
187.14813	5.3
189.16408	27.3
191.17981	10.2
192.18246	6.5
193.12361	4.0
193.15842	4.4
195.13647	3.7
201.16402	5.3
203.17943	6.1
249.18411	7.0
357.27762	3.7
409.34827	6.1
427.35980	20.3
455.34930	12.0
487.33871	5.4
491.31122	6.6
515.37213	4.9
550.32074	16.1
551.33508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1892
Annotation	Rel-5-hydroxy-7,4'-dimethoxy-2''S-(2,4,5-trimethoxy-E-styryl)-tetrahydrofuro[4''R,5''R:2,3]flavanonol
Peak:m/z	Relative Intensity
65.14342	0.5
98.97598	0.7
116.98650	0.6
128.98642	1.1
137.05965	0.8
167.07076	0.6
177.33501	0.6
188.75652	0.8
221.13193	0.5
249.02925	2.1
291.04019	1.2
468.75412	0.7
551.18896	100.0
552.19165	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	551.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	12.2
71.31226	7.9
79.05505	12.0
91.05481	18.1
94.04177	9.0
95.05004	7.5
103.05487	43.0
105.07011	8.3
107.04966	15.2
108.15518	6.5
115.05470	8.8
119.04916	20.7
121.06513	8.5
131.04944	100.0
131.05913	9.4
133.02852	24.5
135.04422	14.1
137.05959	55.2
145.10039	7.4
147.04405	24.8
149.06004	16.2
151.03867	19.4
151.07504	7.6
153.05504	9.4
157.02885	5.9
161.05940	16.7
162.06772	9.6
163.07573	60.3
165.05565	15.2
165.06972	11.6
167.07025	19.8
175.07672	6.9
177.02023	7.4
177.03908	6.1
177.05449	16.8
179.06976	6.6
181.06416	9.1
189.05400	9.8
193.06607	10.9
194.07166	6.9
203.07027	14.9
203.08696	7.0
205.04936	30.0
205.06609	11.2
211.07462	9.2
215.07027	13.2
215.33199	7.6
219.08147	8.6
220.05164	15.5
221.05937	23.7
222.06798	10.4
223.07495	12.3
233.05896	6.9
235.07568	17.8
236.08119	8.9
239.06915	13.3
247.07533	17.1
248.08531	8.5
249.05490	40.5
250.06213	12.7
251.06961	13.9
252.07889	7.0
253.08629	8.0
262.06287	11.4
263.07004	20.4
264.07880	20.6
265.08618	21.5
266.20172	6.7
275.06931	11.2
276.07773	8.7
277.08557	12.4
280.07077	9.1
281.08035	16.0
282.05286	10.7
282.08896	10.6
289.08545	14.6
292.07278	18.9
293.08069	37.8
295.09610	9.3
297.07669	18.5
305.08054	17.8
307.09634	30.4
309.07483	15.0
309.10925	10.3
323.09076	12.3
325.10696	21.3
335.09076	27.5
337.10767	22.7
341.10199	43.2
353.10144	86.7
354.10519	10.7
391.11514	7.9
424.10278	6.7
448.42056	7.5
473.15814	7.1
485.15860	14.0
497.15701	19.8
503.16714	7.1
515.16602	12.0
551.18884	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2124
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
53.03955	1.5
55.01878	4.8
55.05546	0.3
55.06500	0.3
57.03435	0.8
59.04991	0.3
61.02918	1.1
63.02391	0.3
65.03927	1.6
67.05515	1.5
67.09606	0.3
69.03085	0.4
69.03436	5.3
70.06585	1.6
70.18605	0.7
70.19008	0.6
71.04981	0.8
73.02914	0.6
78.04707	1.3
79.05498	2.5
81.03426	2.6
81.07042	0.6
82.04182	0.5
85.02415	0.5
85.02910	7.0
87.04465	0.5
89.03934	1.5
91.05467	3.8
93.03410	0.4
93.07059	1.8
94.04187	1.3
95.04964	3.0
96.08103	0.4
97.02904	3.0
99.04464	0.3
103.05475	9.0
105.04511	0.6
105.07047	2.1
106.04168	0.7
107.04270	0.5
107.04952	6.5
107.08565	0.3
108.08143	0.3
109.02881	1.1
109.06554	0.5
110.03681	0.5
110.09669	0.4
112.82536	0.3
115.05447	1.3
116.06235	0.4
117.03371	1.3
117.07047	1.5
119.04925	0.7
120.08102	1.2
121.06516	5.2
122.03662	2.6
123.04446	4.1
124.05216	1.6
125.06004	0.8
127.03922	1.3
128.06221	3.8
129.07013	15.4
130.04105	0.6
131.04921	10.3
131.08586	2.5
133.02832	0.4
133.06483	1.9
133.10126	0.5
134.03627	1.0
135.04388	0.9
137.05978	30.2
138.06349	0.6
138.09096	0.4
140.04684	1.0
141.07043	0.7
142.02628	0.4
143.04935	0.5
143.08566	0.5
144.05690	0.8
145.02844	0.6
145.06485	2.3
146.03654	0.5
146.07191	0.4
147.04437	1.6
148.05179	0.7
149.05986	12.9
150.06465	0.5
151.03905	1.3
151.07532	3.4
152.04665	0.8
153.05458	0.5
155.04929	0.4
155.05959	0.5
155.07042	1.4
157.06500	14.7
158.07140	1.0
159.04420	1.9
159.08096	1.7
160.05206	1.2
161.04758	0.4
161.05995	5.0
162.03049	0.4
162.06744	1.0
163.03914	1.6
163.07539	6.1
165.05458	0.8
166.08630	0.5
166.34531	0.3
167.07045	52.6
168.07404	1.3
171.06677	0.6
171.08008	0.5
173.06003	0.9
174.06766	5.0
175.07542	3.9
177.05472	22.3
178.05946	0.6
179.07059	0.6
181.04962	17.2
181.08406	0.6
182.05292	0.3
183.06563	0.9
185.05980	4.0
187.07571	1.5
189.05484	0.6
189.09108	12.7
190.07718	0.6
190.09398	0.4
191.07014	1.0
191.10736	1.7
193.08629	1.4
199.07553	0.8
200.44316	0.3
201.09113	0.7
202.06380	0.4
203.07011	1.0
203.08589	0.9
204.09300	0.3
205.08598	0.8
205.10287	0.5
207.08127	0.4
209.08060	4.5
215.08588	0.8
217.08617	10.8
218.07329	1.6
219.06398	0.7
219.08130	0.9
219.10179	2.4
220.08755	0.4
221.08115	0.9
231.08060	1.3
232.08907	0.4
232.38635	0.3
233.06049	0.4
233.09746	2.2
234.06728	0.6
235.07562	0.7
235.09746	0.6
237.10196	0.5
239.11902	0.4
243.08051	0.4
246.06804	1.0
247.07567	1.0
248.08394	0.4
249.09094	0.8
250.09886	0.4
251.10851	0.3
259.07568	0.4
260.08359	1.0
261.09100	4.2
262.09805	0.7
263.07068	1.4
263.10321	0.3
264.07715	0.5
265.09372	0.5
267.10983	0.3
274.06476	0.6
277.08569	1.8
278.09415	1.5
279.10608	0.7
283.10684	0.3
289.08530	1.4
290.09265	0.6
291.10275	0.7
292.07245	0.7
292.10599	0.3
293.11713	2.4
295.09958	0.6
297.11670	0.4
303.10327	0.8
303.73315	0.3
305.08267	0.4
306.08893	1.2
307.09659	2.5
309.11456	0.5
311.09952	0.6
321.11188	4.5
322.11951	1.2
323.09164	0.7
327.13107	0.6
335.10309	0.4
338.11740	0.4
339.13159	3.9
341.13751	0.4
353.13821	1.2
359.14993	1.5
367.12967	1.2
371.14902	100.0
372.15262	6.6
373.16586	0.7
389.15964	1.0
399.15460	0.4
461.19647	0.3
488.18311	0.3
520.20868	3.2
551.20789	2.1
552.23413	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04372	0.7
53.03936	1.7
55.01881	3.6
58.56089	0.6
64.65385	0.7
65.03935	1.1
66.04729	0.7
68.21090	0.7
69.03425	1.0
70.06598	1.7
71.04998	0.8
71.17049	0.8
72.08171	0.8
77.03927	0.8
79.05495	11.0
81.03410	0.7
84.08134	0.8
85.02892	2.2
86.09695	1.0
89.03914	1.2
90.04684	2.2
91.05468	6.3
93.07104	0.8
95.04978	2.2
97.02890	1.0
99.04430	1.9
103.05476	27.4
104.06277	1.1
105.03400	1.3
105.07034	79.1
106.07375	2.1
107.04983	1.3
111.47395	0.7
115.05457	18.8
117.06970	1.0
118.04163	11.7
119.04947	2.0
119.08578	1.1
120.08134	1.0
121.06556	0.9
130.04149	1.0
131.04935	14.8
132.05730	1.9
133.02840	1.8
133.06493	67.8
134.06836	1.7
137.06006	3.4
143.06026	5.4
145.06522	0.9
146.03673	1.1
147.04408	2.4
148.05180	7.3
161.05983	100.0
162.06290	3.9
163.07544	13.7
167.07039	1.3
173.05972	1.3
175.14812	0.8
176.04668	2.0
177.05499	0.7
179.07021	1.0
181.04982	2.0
191.07039	62.1
192.07396	1.8
193.08607	40.0
194.08972	1.7
227.16370	1.6
260.35831	0.8
371.15005	0.9
384.93002	0.7
551.20142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06329	0.6
70.92397	1.1
91.05467	1.1
107.46601	0.6
115.05437	1.8
117.05788	1.2
117.07027	1.7
118.06551	20.5
120.07912	0.7
123.42684	0.6
129.10278	0.8
130.06548	1.5
132.08107	4.7
142.06554	1.7
143.07286	2.5
144.08087	12.1
146.06015	62.0
147.06357	1.4
159.09189	5.5
160.07628	1.0
170.06061	4.2
179.81641	0.6
188.07079	100.0
189.07407	3.1
205.09734	40.4
206.10043	1.4
278.24823	0.8
533.03345	0.8
534.06567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.55441	0.5
56.36603	0.5
67.05518	0.7
67.41750	0.5
69.07059	0.5
69.21838	1.8
69.22250	1.2
74.00155	0.4
74.52990	0.5
81.07076	1.4
89.39662	0.4
93.07055	1.2
95.08623	1.3
98.22582	0.6
105.07063	1.1
107.08602	1.0
109.06516	0.5
109.10190	0.8
115.15307	0.5
119.08575	0.9
121.06499	0.5
121.10173	1.4
123.08125	0.7
133.10168	1.1
145.10193	0.7
145.12151	0.5
159.11847	0.6
161.92656	0.5
175.11266	0.8
187.20145	0.5
270.66348	0.5
331.10056	0.5
359.05048	0.5
389.22977	2.9
510.70441	0.5
551.28284	100.0
552.28613	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	551.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
64.76582	0.5
67.05517	1.1
68.99873	1.2
69.00269	5.4
77.59850	0.6
79.05504	0.9
81.07041	0.9
91.05522	0.5
93.07013	0.9
95.04987	0.6
95.08607	1.3
105.07037	1.1
107.08617	1.3
109.10197	1.3
113.91384	0.5
119.08573	1.2
121.10175	1.9
123.08081	0.8
124.99928	0.6
131.08569	0.7
137.20297	0.6
145.10190	0.8
149.02419	1.0
157.10130	0.9
159.11731	0.9
161.09738	0.7
171.11606	0.6
184.07306	1.3
193.05023	1.3
259.07870	0.8
315.19629	0.6
389.22943	1.4
460.79471	0.7
500.83228	0.6
551.28302	100.0
552.28827	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2826
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
67.05524	0.6
69.90351	1.7
78.39412	0.4
81.07081	0.6
100.86398	0.4
163.00046	0.5
195.74753	0.4
198.97533	0.8
199.02075	0.9
235.97456	0.5
332.93600	0.5
375.25040	10.2
376.25644	0.7
393.47049	0.5
417.26010	1.2
474.07675	0.5
551.28253	100.0
552.28668	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24804	4.1
53.03930	5.0
55.01860	14.3
55.05509	8.5
55.47464	3.6
64.61450	4.9
65.03925	5.8
67.05499	10.7
69.03419	14.0
69.07061	8.4
69.30380	24.3
70.06592	6.0
79.05499	25.7
81.03418	5.8
81.07052	22.1
84.08128	4.2
85.02907	15.6
85.06505	3.9
86.09673	5.3
91.05473	35.5
93.07043	30.8
95.04975	8.7
95.08602	30.9
97.02890	4.3
97.06559	4.0
99.08084	4.2
103.05468	21.8
105.07027	100.0
107.04970	11.1
107.08600	32.7
109.06506	4.9
109.10181	10.9
111.98227	3.9
115.05448	18.0
117.06326	3.9
117.07004	24.5
118.04166	6.0
118.20478	3.6
119.04895	4.8
119.08590	50.7
120.08190	3.6
121.06504	14.8
121.10137	11.7
123.04398	5.7
128.99408	3.7
129.06996	15.7
131.04936	16.7
131.08571	65.5
133.06500	45.4
133.10130	31.2
135.04433	5.5
135.08031	8.5
135.11699	10.8
137.05946	26.8
137.09622	4.3
141.07138	5.4
142.07835	7.9
143.05991	4.2
143.08554	42.8
145.06451	6.2
145.10127	84.6
147.08052	13.5
147.11702	18.8
149.05980	6.0
149.09587	5.1
149.13196	7.2
151.07576	3.9
153.05457	19.7
153.06961	5.7
155.08554	15.5
156.09334	9.5
157.10124	51.9
159.08073	9.4
159.11708	52.7
161.05978	71.9
161.09673	20.5
161.13271	20.1
163.07553	16.0
163.11194	5.4
167.07027	14.9
168.09430	6.7
169.10117	21.1
170.10918	11.4
171.08101	4.6
171.11697	32.3
173.09518	5.7
173.13258	58.7
175.07547	11.1
175.11183	16.7
175.14787	13.0
177.05540	9.7
177.09195	5.3
177.12741	14.5
181.04930	20.1
182.10985	6.2
183.11693	37.4
185.09705	7.0
185.13275	89.9
187.11244	11.9
187.14806	54.9
189.09023	5.6
189.12794	26.6
191.07031	37.3
191.14311	20.6
193.08635	18.0
195.11681	6.7
197.13295	23.7
199.11093	9.7
199.14818	39.1
201.12761	13.0
201.16422	8.6
203.10652	19.8
203.14339	44.8
205.12241	13.3
209.08098	12.5
209.13248	5.7
211.14804	10.3
213.12654	7.9
215.14273	5.9
217.12320	10.3
217.15858	16.6
219.10039	5.4
219.13792	12.4
221.15154	5.3
223.14951	5.7
225.16389	5.6
231.13777	9.3
233.15417	4.9
235.13121	5.4
243.13800	5.1
245.15352	6.4
305.22598	5.2
329.04068	4.1
359.15152	5.2
371.14828	15.9
371.35800	3.9
387.26672	7.4
403.26349	16.4
405.27814	6.2
407.29733	5.3
415.26132	10.8
421.27625	18.3
423.28979	4.8
425.98959	3.9
433.27408	11.2
439.28323	16.0
443.25488	4.9
449.26971	24.6
451.28204	20.3
453.30200	4.5
461.26859	8.0
467.28085	39.3
468.28122	6.0
469.29578	16.2
470.30054	4.3
471.31177	21.4
479.27728	7.2
485.28854	45.6
487.30612	4.9
497.28708	10.9
503.29785	4.8
515.30139	19.6
533.31036	8.8
551.21429	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	551.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
57.07055	0.5
57.48789	0.4
67.05500	0.6
68.02470	0.4
69.03432	0.5
69.07075	0.8
69.13689	0.3
69.25690	0.8
69.26089	2.9
79.05504	0.6
81.07045	2.0
91.05484	0.8
93.07067	1.0
95.08617	2.7
96.08952	0.7
105.07060	0.7
107.08594	2.6
108.08903	0.5
109.10171	1.4
111.08121	0.5
119.08600	1.9
121.10137	2.3
123.08109	0.5
123.11698	0.8
132.97707	0.4
133.10139	1.3
135.11719	1.0
137.13298	0.6
142.23366	0.4
143.08580	0.4
145.10106	0.7
146.10548	0.5
147.11700	0.9
158.10542	0.4
161.13245	0.8
166.03638	0.4
173.13310	0.5
175.14905	0.5
177.16405	0.5
178.04413	0.4
185.13260	0.5
189.16443	1.2
190.16783	0.6
233.15440	0.4
241.12019	3.2
255.10915	0.5
255.13564	12.7
256.14325	18.7
257.15106	12.8
258.15714	0.5
259.16742	0.5
273.14624	1.1
274.15427	0.6
275.16306	0.8
279.15295	0.5
288.13309	9.4
289.13690	0.8
296.16223	0.9
298.17776	0.8
438.34772	0.6
471.15067	0.4
489.17825	0.4
491.31454	1.0
551.33472	100.0
552.33704	11.6
552.42303	0.6
569.33649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
57.47841	0.5
67.05494	2.2
69.03871	2.2
69.04298	2.8
69.07065	2.1
71.04974	0.6
76.94865	0.5
79.05492	2.4
81.07063	3.4
84.08149	1.4
84.97981	0.6
85.06551	0.6
91.05491	2.8
93.07040	4.2
93.34089	0.5
95.08607	5.5
96.08942	0.6
97.06547	0.7
99.08091	0.7
105.07026	3.2
107.08601	4.3
108.32173	0.6
109.06515	0.6
109.10167	5.0
111.08092	1.7
117.07022	0.7
119.08572	3.9
120.08971	0.6
121.06517	13.6
121.10169	4.1
122.10429	0.8
123.08066	3.0
123.11711	1.8
125.05982	4.1
125.09614	0.6
128.06213	0.8
131.08527	0.7
133.10144	4.2
135.11719	2.3
139.07512	4.0
145.10144	2.3
147.11684	1.3
149.13271	2.8
157.10147	0.7
159.11722	1.1
161.13255	2.1
173.13245	1.4
175.11067	0.9
175.14873	0.9
185.13301	1.0
187.14825	2.1
189.12801	2.5
189.16391	2.1
191.18002	1.8
197.13257	0.8
199.14839	0.7
215.14320	3.8
233.15364	15.7
234.15752	0.8
241.11978	1.3
255.13574	5.6
256.14285	6.9
257.15106	2.2
261.18460	0.6
275.19937	1.1
288.13321	3.5
301.21619	0.8
302.15002	0.8
423.32556	4.1
445.30728	11.5
446.31412	1.0
491.31235	2.0
505.32886	100.0
506.33252	11.1
533.32080	1.6
551.33459	61.7
552.33960	7.7
557.84546	0.7
569.34399	7.2
570.34814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3347
Annotation	Revandchinone 1
Peak:m/z	Relative Intensity
53.19272	0.4
55.05515	0.9
57.07084	0.5
67.05511	1.2
69.07069	0.9
70.16573	0.4
73.58008	0.3
75.39502	0.3
79.05502	0.6
81.07039	1.9
81.83102	0.3
83.08639	0.5
91.05473	0.5
93.07050	1.3
95.08604	2.2
96.08964	0.6
104.11633	0.5
105.07048	1.2
107.08604	1.2
109.10170	1.8
111.08124	0.4
119.08624	1.2
120.08971	0.4
121.06491	0.4
121.10130	1.9
122.10460	0.4
123.08106	0.6
123.11725	0.7
133.10168	1.3
134.10513	0.4
135.04161	0.4
135.11736	0.9
137.09654	0.4
137.13301	0.6
145.10197	0.5
147.11752	0.9
149.13297	0.5
151.14970	0.3
159.11768	0.4
161.13284	0.6
165.12794	0.5
177.16447	0.4
187.14847	0.4
189.16447	1.3
190.16870	0.5
241.12012	3.8
244.16687	0.6
255.13582	10.1
256.14319	11.9
257.15121	6.5
273.14627	0.5
274.15506	0.4
275.16275	0.4
288.13388	5.8
337.21783	0.6
438.34875	0.4
491.31445	3.0
492.32339	0.4
503.03104	0.4
516.37946	0.5
533.32355	0.9
551.33502	100.0
552.33832	10.8
569.34772	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
53.65181	0.3
55.01868	3.4
57.03436	1.2
60.91040	0.3
61.02924	0.7
69.03434	2.3
70.06598	0.8
71.05001	1.6
71.31136	0.4
73.02898	0.5
79.05484	0.9
81.03409	1.0
83.01351	2.2
84.08147	0.5
85.02905	9.4
86.09684	0.5
87.04469	0.5
91.05473	1.1
95.04974	0.9
96.05745	0.3
97.02885	2.1
99.04468	0.7
101.02390	0.7
103.05451	0.4
103.44167	0.3
105.07024	1.4
107.04956	100.0
108.05289	2.2
109.02873	0.6
111.00798	2.1
115.03928	1.3
117.03301	0.3
119.04952	0.9
120.08110	0.3
121.06522	3.0
121.10220	0.4
127.03886	1.7
129.01852	2.1
131.04868	0.4
133.06482	1.9
135.04393	0.3
136.07579	0.8
137.06020	0.3
143.03418	1.5
145.04979	1.5
147.04405	1.7
149.05975	7.5
151.03839	0.4
157.01303	0.7
161.04527	0.7
161.05981	2.3
163.03893	0.4
163.06046	0.4
167.07042	0.9
171.02888	4.2
173.05928	0.5
175.03960	1.6
177.05513	0.6
185.04462	0.6
187.03886	0.5
189.03976	1.8
189.05391	0.4
193.04852	0.4
193.08615	1.8
207.06551	2.9
208.09550	0.3
215.03352	1.1
231.04962	2.6
233.04419	0.8
237.07846	0.4
247.06036	0.8
323.07620	3.6
337.09164	37.4
338.09485	2.3
355.10233	17.5
356.10556	0.8
547.96075	0.3
552.22864	0.7
553.15155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43760	0.8
53.03969	1.0
55.01866	2.2
56.96568	1.7
57.03448	1.4
57.65612	0.8
61.02927	2.1
61.63772	0.7
69.03429	4.0
69.35705	0.8
69.60986	2.4
69.61383	1.3
70.06618	2.3
71.04999	0.9
72.08166	0.8
79.05509	3.5
81.03435	1.7
84.04529	1.1
84.08164	1.6
85.02915	18.3
86.09713	1.1
89.03918	3.7
91.05505	2.1
95.04987	1.6
97.02905	4.8
98.22671	1.4
103.05488	6.1
105.04542	1.0
105.07041	53.9
106.07363	1.1
107.04977	3.1
107.08641	0.7
109.02891	1.6
115.05455	9.1
117.03422	2.6
118.04199	2.6
119.04929	1.3
120.08118	0.8
127.03909	3.7
129.10271	2.3
129.79533	0.7
131.04941	2.2
133.06505	50.6
134.06870	1.2
135.04428	4.2
136.04694	0.9
136.07582	1.2
137.05943	0.9
143.00179	0.8
143.06009	4.5
145.02890	3.5
145.04974	6.3
151.03891	1.5
161.05994	100.0
162.06371	3.1
162.07564	0.8
163.03920	20.4
163.06055	1.4
164.04248	5.6
165.04445	0.8
177.05508	2.5
180.08713	1.8
193.08621	85.1
194.09042	2.6
211.09683	1.8
213.00923	0.8
253.08551	0.9
255.01785	1.8
267.04163	0.9
269.07391	0.8
273.02884	1.8
273.05685	1.1
279.06567	0.9
374.57794	1.7
555.08472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01874	2.7
57.03429	1.5
61.02933	3.5
69.03430	5.8
70.06606	1.7
71.05031	0.7
72.08161	1.1
73.02914	1.2
79.05489	5.1
81.03421	1.9
84.04475	0.6
84.08150	1.0
85.02910	27.2
86.09715	0.7
87.04476	1.1
89.03936	1.1
91.03958	0.7
91.05487	2.5
91.20443	0.5
95.04955	1.4
97.02901	7.5
99.04489	1.5
103.05467	6.2
105.07031	46.5
106.07363	1.3
107.04965	4.0
109.02876	2.1
115.05453	11.1
118.04182	3.2
127.03926	6.4
131.04942	2.1
133.06493	49.1
134.06854	1.4
136.07603	0.7
137.05984	0.9
143.04980	1.1
143.06029	4.5
144.06544	1.7
145.02884	1.3
145.04958	8.6
148.68887	0.5
161.05983	100.0
162.06342	3.7
162.07555	0.9
163.03879	0.6
163.06023	2.4
177.05504	3.0
191.06920	0.9
192.07312	0.8
193.08611	85.1
194.08940	2.9
229.48468	0.6
323.07782	1.0
477.33194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62195	0.9
71.49370	0.4
79.05489	1.0
91.05463	0.7
93.07053	1.8
94.06551	2.3
95.04989	0.4
95.07361	1.2
95.91485	0.4
96.08132	3.6
102.09306	0.4
103.05470	0.5
103.81024	0.5
108.08128	3.7
110.09691	6.3
120.04469	4.2
120.08120	4.9
122.06044	1.5
122.09653	0.7
124.07638	0.8
136.07565	2.8
138.09137	8.2
141.31528	0.4
144.08101	0.4
146.06001	1.0
148.07597	1.5
150.09163	0.9
152.07091	1.5
152.10732	0.8
162.09116	0.4
164.07042	0.5
166.08643	7.5
168.08002	0.5
176.10706	0.5
177.90651	0.4
182.05334	0.4
182.09709	0.4
192.06633	0.6
194.08154	1.0
196.09827	0.5
197.10838	0.5
199.12325	0.5
209.10818	0.6
211.08742	0.5
211.12225	0.8
212.09570	0.8
213.10284	0.4
221.10719	0.6
222.07716	0.5
222.11368	0.4
223.08728	1.2
223.12311	1.2
224.09474	1.3
225.10223	3.1
225.13611	0.4
226.10965	0.6
227.11755	0.9
233.10814	0.7
235.08617	2.0
235.12375	0.5
236.09464	1.4
237.10275	6.9
238.10976	2.1
239.08218	1.7
239.11755	3.7
241.09694	0.9
243.11519	0.5
247.08670	0.5
248.09357	0.9
249.10214	6.3
250.11055	2.2
251.08267	3.2
251.11829	6.2
252.12538	1.3
253.09703	4.8
253.12270	0.5
253.13492	0.6
254.10495	0.6
255.11438	0.9
261.10211	2.5
262.11032	1.1
263.08237	0.9
263.11859	3.8
264.08890	0.6
265.09732	8.3
266.10336	2.4
267.11255	4.9
268.11984	0.6
269.12509	0.6
271.10785	2.0
273.12411	0.8
277.09766	2.1
278.06873	0.8
278.10535	3.3
279.07724	4.2
279.11301	9.5
279.14212	0.7
280.08484	0.5
280.11758	2.0
281.09299	2.1
281.12802	1.6
282.09979	1.2
283.10822	5.5
283.14038	0.7
284.11523	0.6
285.12537	0.6
287.13910	1.3
288.05453	0.4
289.09689	5.7
289.12677	0.5
291.08237	0.4
291.11206	2.1
293.09271	1.5
293.12918	3.4
294.09985	4.8
294.13412	0.7
295.10754	3.1
296.11600	2.3
297.09000	0.5
297.12341	1.3
298.09720	0.5
299.10306	1.8
302.07346	0.5
303.07758	0.5
304.07858	0.5
306.09875	1.8
307.10706	3.0
308.11404	0.6
309.09088	0.6
309.12222	2.3
311.10287	5.9
311.13956	1.7
312.11017	3.2
313.11813	1.9
314.12799	1.8
315.13528	0.5
321.12454	0.7
323.10303	1.0
323.13953	1.2
324.11096	1.6
325.11823	1.5
326.12558	4.4
327.13394	7.5
328.14322	0.6
335.10263	6.8
336.11136	0.7
337.11917	0.9
339.13391	45.8
340.10318	2.3
340.13989	2.3
342.15863	0.5
352.10513	1.0
353.11307	0.9
354.12137	4.0
355.12897	14.2
356.13510	0.7
367.12897	33.2
368.13333	1.6
383.12329	0.4
386.14844	1.1
387.15775	0.8
399.15533	0.6
418.18027	0.5
430.17178	0.5
447.17981	0.6
451.20618	0.8
460.18710	1.4
461.19180	0.5
464.22433	0.5
474.20004	0.5
479.20523	1.9
488.18219	11.6
492.21356	5.2
502.19852	0.7
520.20782	100.0
521.21143	7.7
552.23425	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	552.234
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31118	0.5
71.31551	0.5
74.61977	0.4
79.05501	0.8
80.56950	0.4
82.06575	0.5
91.05487	0.6
92.75957	0.4
93.07051	1.5
94.06558	1.8
95.07350	1.9
96.08133	3.0
97.06551	0.6
103.05504	0.6
105.07049	0.4
108.08122	3.4
110.09688	5.8
120.04444	4.0
120.08102	4.5
122.06065	1.0
122.09717	0.7
123.06788	0.5
124.07602	0.8
134.57187	0.5
136.07573	4.0
137.06017	0.8
138.09145	8.5
146.06087	0.5
148.07570	1.7
150.05513	0.5
150.09196	0.5
151.00694	0.5
152.07083	1.9
152.10699	0.7
163.87605	0.4
164.07097	0.6
166.08626	8.4
167.07149	0.6
172.03880	0.6
176.10768	0.7
181.17561	0.5
182.11670	0.4
184.07765	0.5
194.08157	1.2
197.10725	1.0
211.08658	0.6
211.12347	0.6
212.09427	0.9
213.10179	0.6
221.10907	0.5
223.08714	1.4
223.12292	1.0
224.09480	1.2
225.10286	2.8
227.11862	0.8
235.08659	1.7
236.09534	1.2
237.10222	7.2
238.11053	2.2
239.08238	1.7
239.11743	4.2
241.09729	0.9
248.09355	1.0
249.10219	5.1
250.10994	2.8
251.08189	2.9
251.11809	4.7
252.09341	0.4
252.12337	0.8
253.09708	5.0
254.10446	1.0
255.11218	0.7
260.09467	0.5
261.10199	3.2
262.10995	1.0
263.08231	1.1
263.11816	3.4
264.09012	0.7
265.09729	8.1
266.10522	1.9
267.11224	4.7
268.12079	1.0
269.09061	0.7
269.12814	0.6
271.10822	2.5
273.12445	0.5
277.09784	2.7
278.10510	3.5
279.07724	3.8
279.11310	8.2
280.12015	2.0
281.09244	2.7
281.12860	1.2
282.09991	0.8
283.10794	6.4
284.11450	1.2
285.12421	1.1
287.13995	1.5
289.09668	5.4
290.10580	0.8
291.08212	0.4
291.11337	1.8
292.36185	0.5
293.09250	1.6
293.12878	3.6
294.09982	4.8
294.13043	0.7
295.10730	3.8
295.13818	0.7
296.11533	2.4
297.12363	1.4
298.09421	0.5
299.10498	2.4
299.13654	0.6
306.09869	1.5
307.10834	1.7
308.11694	1.2
309.09097	0.5
309.12189	2.5
310.13055	0.8
311.10306	6.4
311.13943	1.8
312.11057	3.1
313.11758	1.5
314.12653	1.8
317.09149	0.9
321.12332	0.7
323.10144	1.3
323.13669	1.1
324.11038	2.0
325.11905	1.1
326.12573	5.2
327.13376	7.9
328.14087	0.5
335.10260	8.2
335.13992	0.7
336.10886	0.6
337.11853	1.0
339.13388	52.2
340.10416	2.2
340.14023	2.4
352.10571	0.7
353.11670	0.5
354.12112	4.9
355.12857	15.4
355.17050	0.8
356.13284	0.8
367.12888	33.6
368.13348	1.4
386.14594	0.9
387.15509	1.1
436.18600	0.7
447.18002	0.6
451.20877	0.6
460.18829	1.0
470.17068	0.8
479.20789	2.0
488.18170	12.7
489.18546	1.4
492.21313	4.9
520.20770	100.0
521.21069	6.9
552.23425	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	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05513	8.6
63.98080	1.0
67.05499	4.8
69.03435	4.6
69.07071	11.3
70.02735	4.3
71.04996	10.2
71.98533	1.0
74.22240	1.0
75.08464	1.2
77.51517	1.1
79.05502	3.4
79.33066	1.0
81.03416	1.5
81.07056	10.9
83.08630	5.3
85.02905	12.6
89.39590	1.2
91.05482	9.6
93.07045	6.9
95.04955	1.6
95.08623	11.2
97.02903	2.4
99.04470	6.7
103.05492	2.3
105.07033	24.5
106.07386	2.0
107.08599	18.4
109.10157	3.6
115.05486	1.7
117.07033	5.5
119.08584	100.0
120.08940	3.3
121.06522	4.0
121.10139	5.7
123.11666	1.4
127.03936	3.3
131.08621	2.0
131.84865	1.0
133.06522	2.3
133.10127	27.3
134.06841	1.1
134.10414	1.3
135.11676	1.9
136.07620	2.1
145.04973	6.0
145.10146	1.6
147.11691	4.2
159.11736	1.3
161.05971	3.5
163.06029	2.8
163.07489	1.6
175.14830	97.3
176.15164	3.6
191.07039	1.0
193.08545	1.6
193.15871	2.6
215.09114	2.9
227.16377	3.4
228.16849	2.6
233.10252	3.2
288.10568	2.0
306.11658	3.1
357.10950	1.3
358.11066	3.4
390.13870	2.2
556.63165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
53.62724	0.3
55.01866	0.7
55.02970	0.3
55.05497	2.3
57.03444	0.5
57.07066	0.5
61.02927	0.3
65.03945	0.2
67.05499	2.3
69.03415	1.0
69.07068	6.8
70.48554	0.8
71.04972	0.3
73.02928	0.3
79.05480	1.2
81.03412	0.4
81.07050	2.4
83.08617	1.4
85.02908	2.3
85.06533	0.5
87.04464	0.4
91.05476	3.3
93.03410	0.3
93.07049	2.2
94.07372	0.3
95.04961	0.7
95.08044	0.5
95.08606	6.1
97.02888	1.2
99.04450	0.8
103.05478	0.5
105.07028	8.0
107.04920	0.4
107.08600	3.1
109.02898	0.4
109.06479	0.5
109.10156	6.3
117.07034	0.9
119.08579	30.0
120.08907	0.6
121.06509	1.8
121.10131	2.3
123.08027	0.8
123.11663	0.3
127.03875	0.5
131.08554	1.3
133.10129	27.4
134.10483	0.8
135.08040	1.0
135.11691	2.9
137.06020	0.3
137.09625	2.5
145.05000	0.7
145.10130	1.7
147.11688	4.3
149.13266	0.7
151.14807	0.9
159.11678	0.5
160.12466	1.1
161.05969	0.5
163.07526	2.3
173.13300	0.9
175.14819	100.0
176.15192	3.2
177.16327	0.7
178.04976	0.6
193.15884	15.6
194.16219	0.4
227.16356	0.3
315.67038	0.3
432.54489	0.3
553.18701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.05513	8.6
63.98080	1.0
67.05499	4.8
69.03435	4.6
69.07071	11.3
70.02735	4.3
71.04996	10.2
71.98533	1.0
74.22240	1.0
75.08464	1.2
77.51517	1.1
79.05502	3.4
79.33066	1.0
81.03416	1.5
81.07056	10.9
83.08630	5.3
85.02905	12.6
89.39590	1.2
91.05482	9.6
93.07045	6.9
95.04955	1.6
95.08623	11.2
97.02903	2.4
99.04470	6.7
103.05492	2.3
105.07033	24.5
106.07386	2.0
107.08599	18.4
109.10157	3.6
115.05486	1.7
117.07033	5.5
119.08584	100.0
120.08940	3.3
121.06522	4.0
121.10139	5.7
123.11666	1.4
127.03936	3.3
131.08621	2.0
131.84865	1.0
133.06522	2.3
133.10127	27.3
134.06841	1.1
134.10414	1.3
135.11676	1.9
136.07620	2.1
145.04973	6.0
145.10146	1.6
147.11691	4.2
159.11736	1.3
161.05971	3.5
163.06029	2.8
163.07489	1.6
175.14830	97.3
176.15164	3.6
191.07039	1.0
193.08545	1.6
193.15871	2.6
215.09114	2.9
227.16377	3.4
228.16849	2.6
233.10252	3.2
288.10568	2.0
306.11658	3.1
357.10950	1.3
358.11066	3.4
390.13870	2.2
556.63165	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54314	7.0
55.05518	14.8
57.07078	7.8
62.73320	6.6
67.05509	28.9
69.07084	30.9
69.27283	12.3
69.27692	37.7
71.05015	13.1
73.54118	6.6
79.05498	19.4
80.92148	8.2
81.07058	50.7
83.08634	10.9
90.96862	7.3
91.05505	15.5
93.07040	47.6
95.08625	89.3
98.22639	15.2
99.08091	14.5
105.07033	39.5
105.75439	7.1
107.08599	75.6
109.10154	67.4
111.08135	11.1
119.08562	51.1
121.10161	74.9
123.08103	15.9
123.11742	44.7
125.09705	8.0
127.11169	16.1
131.08606	24.5
133.10141	57.6
135.08073	9.4
135.11725	59.2
137.13309	11.8
139.11176	10.4
145.10155	32.2
147.11691	44.4
149.13289	25.1
157.10159	10.8
159.11708	41.1
161.13309	25.9
163.14893	8.1
165.12782	9.9
173.13298	18.3
175.11151	14.0
175.14838	23.0
177.12694	9.4
185.13287	17.9
187.14806	11.6
189.16415	30.9
190.08971	6.7
193.15962	9.0
199.14891	11.1
199.28392	8.7
201.16420	67.2
202.17026	10.6
203.17972	35.4
215.17953	10.6
217.19534	9.9
218.28114	8.2
219.17448	28.9
243.21158	11.3
243.41626	7.1
245.19098	7.1
270.41110	8.3
271.20480	10.5
273.22046	7.5
286.85159	7.7
287.20370	7.2
301.22147	8.1
331.22830	12.7
383.32779	10.3
393.31393	13.2
411.32898	42.1
421.31143	14.9
429.25208	7.9
429.33737	20.1
439.32083	32.5
453.33447	11.8
457.33481	55.0
471.34842	100.0
472.34882	12.8
499.34280	9.8
517.35529	38.1
552.33685	43.6
553.28369	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81464	1.4
69.70177	7.8
71.88158	1.5
75.72499	1.5
78.20600	1.7
98.97579	2.0
112.89568	1.7
146.14276	1.8
168.92111	28.0
186.93173	23.0
188.06120	1.6
203.67526	1.7
210.94113	100.0
211.94318	3.1
228.91934	2.4
228.94232	47.8
246.95299	21.6
248.89706	2.6
270.95285	38.3
282.95313	4.7
288.96329	6.4
300.96371	8.6
312.96490	4.0
330.97430	8.1
372.98380	8.7
381.07855	11.5
390.99234	2.6
553.04486	6.7
553.11743	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	553.281
Annotation	Canthiumine
Peak:m/z	Relative Intensity
55.05509	0.7
65.62971	0.5
67.05496	0.6
69.07225	1.5
69.07650	3.8
69.61134	0.5
73.41224	0.6
73.50046	0.5
74.46058	0.5
78.92543	0.5
95.08631	0.9
107.08577	0.8
112.97598	0.7
119.08599	0.9
141.14140	0.6
145.10149	0.6
179.63676	0.6
251.94585	0.5
289.55762	0.6
347.07382	0.5
363.15991	2.1
376.16556	0.8
377.17636	4.9
378.18414	5.5
379.19287	1.6
391.19177	6.8
392.19949	6.2
393.20709	12.9
394.21307	1.2
405.20981	3.2
406.21454	4.1
407.14926	1.2
407.22308	14.9
408.22543	1.0
420.23148	1.7
421.17368	1.1
421.23834	9.5
422.17392	2.4
422.24261	1.6
423.18262	1.2
433.20236	1.7
435.17944	0.8
436.18677	3.0
437.19760	11.3
438.20059	1.7
447.21783	1.3
448.22153	1.3
450.20154	0.7
451.21289	18.4
452.21616	1.9
462.24426	0.6
465.22925	4.1
477.26523	6.3
478.26083	0.7
479.24179	0.8
480.25320	1.5
488.22433	0.7
503.24515	6.2
508.28403	1.0
509.21967	1.2
509.28964	6.2
510.29636	0.7
524.24225	3.3
535.27130	6.5
553.27167	100.0
553.34613	5.2
554.27557	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	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64189	0.5
60.08192	0.9
63.27499	0.6
63.53851	0.5
69.69563	2.4
69.85315	0.5
72.72176	0.5
81.07069	0.5
92.16853	0.5
104.10745	2.6
132.78830	0.5
148.04700	0.5
158.96861	0.5
198.97516	1.5
199.02162	0.5
213.80409	0.5
225.91949	0.5
371.41290	0.5
377.26584	7.3
419.27780	0.7
553.29858	100.0
554.30164	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	553.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69710	0.4
59.00865	0.4
62.39904	0.4
67.21533	0.4
79.05521	0.4
81.07075	0.4
93.07062	0.4
93.56532	0.3
95.08656	0.4
95.49050	0.4
97.06576	0.5
101.17103	0.4
103.10639	0.4
104.31113	0.4
104.52645	0.4
105.07104	0.5
107.08626	1.0
109.10179	0.5
119.08614	0.4
121.10105	0.5
133.10161	0.5
133.71870	0.4
156.31294	0.4
190.81802	0.4
203.05295	1.1
259.07950	0.9
318.04523	0.4
319.36673	0.4
367.18854	1.0
391.24524	1.0
534.14282	0.5
553.29828	100.0
554.30139	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	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
51.63762	0.2
58.96567	0.2
67.05492	0.3
69.47929	1.2
71.77717	0.2
77.46427	0.3
79.05492	0.4
81.07056	0.5
95.08639	0.6
98.22529	0.3
105.07039	0.4
107.08603	0.3
109.10111	0.3
113.20944	0.3
119.08597	0.3
120.08085	0.2
121.10131	0.4
159.11752	0.3
203.05360	0.9
259.07950	1.0
391.24640	1.0
431.18890	0.7
553.29834	100.0
554.30170	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	553.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79764	0.3
67.05521	0.3
69.86181	1.1
91.05458	0.3
93.07041	0.4
95.08607	0.5
95.37988	0.3
105.07024	0.6
109.10161	0.4
113.05991	0.3
119.08607	0.6
121.10143	0.6
133.10165	0.5
153.79187	0.3
160.56679	0.3
165.44832	0.3
174.16391	0.3
217.01808	0.3
241.12871	0.3
353.17267	0.5
391.24619	1.3
394.96722	0.4
431.18890	0.6
553.29865	100.0
554.30280	8.0
564.51654	0.4
574.83972	0.4
582.02075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
50.94291	0.4
60.86030	0.3
70.34187	0.5
73.61990	0.3
83.01091	0.4
83.56324	0.3
96.01887	0.5
107.08588	0.4
121.10172	0.3
137.56065	0.3
157.04747	0.5
185.04213	3.3
185.05684	0.3
201.03694	1.5
219.25369	0.3
225.25064	0.3
259.07953	0.7
275.07428	1.1
301.09070	0.4
331.09976	4.0
345.11502	0.6
359.13184	0.9
362.71689	0.3
373.14835	0.5
373.50223	0.3
387.16449	0.5
391.24518	0.7
415.19308	0.8
455.22659	0.9
483.22089	1.3
528.68024	0.3
535.28607	0.5
553.29834	100.0
554.21924	0.6
554.30212	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	553.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09856	0.9
61.62686	1.0
65.14573	1.0
67.05511	1.7
67.91112	0.9
69.07124	1.5
69.07466	7.5
81.07078	1.8
83.08633	0.9
88.19706	0.9
91.05541	1.0
93.07067	1.6
95.08612	2.2
119.18961	1.0
121.10098	1.3
237.10559	0.9
260.43964	0.9
293.55594	0.9
463.58975	1.1
553.32941	100.0
554.33350	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	553.35
Annotation	CHEBI:69729
Peak:m/z	Relative Intensity
50.19536	0.3
64.63758	0.4
67.05513	0.4
67.50486	0.4
69.07086	0.6
69.17071	0.4
69.18376	0.8
69.18707	3.0
71.17428	0.4
73.79350	0.4
79.53256	0.3
81.07094	0.9
83.01099	0.7
93.07078	0.7
95.08637	1.5
97.06572	0.6
98.22628	0.9
105.07082	0.5
107.08612	1.3
109.10187	1.4
119.08589	1.0
121.10149	1.0
123.11748	0.6
133.10179	0.6
135.11708	0.7
147.07796	0.5
147.11729	0.7
149.13322	0.5
159.11719	0.4
162.01505	0.4
164.81749	0.4
176.81212	0.4
183.17232	0.4
189.16521	0.6
191.94757	0.4
213.70393	0.4
245.15195	1.5
409.34857	1.4
431.32822	0.7
475.31717	0.7
491.34998	1.7
492.35703	0.6
493.32938	4.3
507.34787	0.5
509.36276	3.3
510.36380	0.4
535.33929	5.1
553.35083	100.0
554.35553	7.4
571.36401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67571	0.5
69.07072	1.3
73.32112	0.6
81.07061	2.2
83.01115	2.8
93.07037	0.9
95.08600	3.7
101.27013	0.7
105.07036	1.6
107.08608	2.2
109.10164	1.9
113.90585	0.7
119.08619	1.7
121.10172	3.6
123.11741	1.0
133.10176	0.8
135.11702	0.6
159.11717	0.9
161.13454	0.7
183.11743	0.7
201.16641	0.9
263.16318	0.8
447.32547	1.4
493.32944	2.2
507.34479	12.1
508.35101	1.4
535.33905	1.8
553.35004	100.0
554.35327	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	554.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03409	2.2
70.87627	1.4
75.62099	0.6
78.04713	1.5
79.05492	3.0
84.07031	0.6
85.02913	3.6
91.05473	4.4
97.02905	1.7
103.05470	1.4
105.03407	0.6
105.07050	3.1
106.04198	0.9
107.04959	5.6
115.05415	0.9
117.07030	2.6
118.04160	1.2
119.04980	3.8
121.06516	0.7
123.04418	3.3
124.05221	1.4
127.03914	1.4
128.06201	0.7
129.07004	1.7
131.04941	2.0
132.05736	0.6
133.06505	4.2
135.04401	0.7
136.05280	0.6
137.05943	0.7
140.04663	0.7
145.04912	0.8
145.05246	0.8
145.06470	6.7
147.04408	15.0
149.05969	1.6
151.07535	1.1
152.04698	1.4
153.05487	1.7
155.07045	1.2
157.06448	0.9
160.05150	0.7
161.05971	14.6
163.07547	0.7
167.07037	100.0
167.74353	0.6
168.07382	2.8
173.05983	15.2
175.07576	0.9
177.05499	1.4
178.07759	0.7
179.07022	5.1
179.08493	1.1
180.07776	1.3
181.08476	0.9
185.05969	4.8
189.06947	1.2
190.07777	0.7
191.07019	8.4
191.08553	0.7
192.07744	2.1
193.08626	4.3
203.07016	3.6
203.08662	1.3
206.07326	1.0
207.08047	1.2
209.08000	1.3
218.07272	1.3
219.08096	2.3
221.09636	2.3
231.08151	1.3
233.09631	0.8
234.06831	1.0
235.07532	2.3
236.08354	1.2
237.09084	0.9
239.10643	0.7
247.07527	1.8
249.09106	3.3
251.07100	1.2
252.07687	1.0
261.09125	1.7
263.07056	1.3
264.07800	1.0
267.10147	3.2
275.07138	1.4
276.07837	1.0
277.08572	1.4
278.08765	0.8
279.10101	1.3
281.08237	0.7
281.11661	1.1
289.08478	0.7
294.08719	1.4
295.09512	2.8
307.09515	4.5
309.11142	1.8
312.09921	4.0
313.10501	0.8
321.11215	0.9
327.12247	18.4
328.12457	1.0
330.11133	1.5
339.12274	7.5
345.13315	9.6
346.13669	0.8
357.13245	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	554.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73003	4.6
52.76734	4.6
60.56136	4.1
62.91925	4.4
68.35309	3.9
69.32359	7.4
69.32773	17.3
77.29083	4.1
80.98396	4.5
102.76558	4.1
121.79664	4.7
169.07127	4.3
239.10411	4.4
253.08641	4.5
267.10132	4.2
269.07996	5.4
279.10223	5.4
283.09656	6.5
284.06750	8.8
285.07520	8.1
295.09753	12.6
297.07831	5.8
299.09131	13.6
300.10068	7.9
309.11206	6.5
310.12003	11.5
311.08997	9.2
312.09830	7.1
313.10690	5.4
325.10641	20.2
326.11444	14.7
327.08765	11.0
340.13037	40.3
341.10068	12.9
341.13773	13.9
342.11041	17.5
343.11743	5.6
351.12314	10.1
356.12512	21.8
358.10388	9.7
366.14557	9.0
371.15002	49.3
373.12833	21.1
383.14798	9.6
415.17526	100.0
416.17822	6.8
529.46875	5.2
536.50232	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	554.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
55.01867	18.5
55.05507	19.1
56.77412	5.6
57.07072	5.2
60.05640	7.1
64.07971	5.8
65.66620	4.5
67.05499	35.9
69.03429	16.9
69.07071	26.7
70.06593	5.4
71.04990	19.5
71.30981	6.9
73.02921	8.3
73.97054	4.9
74.14005	5.0
79.05491	30.2
81.03404	8.3
81.07054	85.3
83.04987	40.4
83.08611	14.6
85.02908	22.6
85.06566	12.2
90.33241	5.8
91.05486	34.5
93.07043	93.2
95.04954	41.7
95.08598	59.6
97.02863	10.0
97.06520	47.6
99.04461	20.6
101.02382	8.9
105.07034	84.5
107.04944	11.9
107.08598	60.2
109.06517	46.3
109.10133	19.7
111.04439	5.8
111.08083	50.4
113.06037	6.5
115.03957	5.7
117.07001	11.4
119.03432	4.8
119.08584	38.2
120.61797	5.2
121.06503	55.3
121.10133	16.8
123.08076	20.1
123.11738	26.7
125.05981	21.5
127.03912	11.7
127.07537	19.1
129.07030	8.7
131.08553	15.1
133.06441	4.9
133.10139	51.9
135.04347	8.3
135.08002	28.1
135.11661	7.6
137.05969	17.5
139.07550	39.5
142.07724	7.1
143.06920	5.6
143.08612	8.6
145.10101	10.4
147.08012	10.4
147.10614	9.3
147.11685	100.0
149.13266	12.4
151.07616	5.2
151.11205	23.6
157.08708	9.2
157.10118	21.8
159.06461	10.9
159.07890	4.8
161.04471	66.8
161.05861	11.2
161.13261	23.1
163.11159	9.2
165.12729	55.5
169.12248	56.0
171.11708	16.3
173.04475	9.2
173.09674	6.7
173.13249	7.5
175.11169	77.2
189.12741	32.2
193.12224	98.9
195.13840	11.2
199.11174	23.1
207.13838	9.9
211.13266	92.2
217.12238	82.2
217.15891	6.2
235.13278	73.2
243.08591	9.8
251.19987	5.7
253.14383	49.6
257.10239	7.0
289.09076	5.6
311.14838	21.5
323.14935	12.7
329.15891	31.2
335.14706	7.4
341.16013	28.8
353.15952	77.6
355.17676	8.0
359.17102	41.6
365.15994	29.5
371.16943	18.9
383.16910	41.5
501.19736	9.3
506.83759	6.0
563.22559	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	554.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.2
55.01876	9.8
55.05507	17.0
58.21980	4.6
67.05505	27.8
69.03434	20.8
69.07066	15.8
70.06596	14.0
71.04987	58.9
71.30936	7.8
73.49700	5.6
79.05499	44.8
80.99784	5.2
81.03425	10.3
81.07063	70.0
83.04989	9.9
83.08618	7.2
84.08147	8.5
85.02933	27.5
85.06541	10.8
86.09697	8.0
87.00856	9.1
91.05479	57.0
93.07043	92.6
95.04964	25.1
95.08608	49.6
97.02895	12.5
97.06517	16.6
97.22588	4.6
99.04449	10.3
103.05488	15.1
105.07030	91.2
107.04935	6.7
107.08588	59.2
109.02896	11.9
109.06540	11.2
109.10147	28.6
111.08113	13.4
115.05424	6.2
117.07052	10.4
119.08574	76.8
121.06490	9.8
121.10160	31.7
123.08052	11.7
123.11747	9.5
125.09665	12.3
127.03922	21.1
129.07050	7.7
131.04919	14.8
131.08562	44.3
133.10136	100.0
135.08047	11.4
136.07591	14.1
137.06010	12.9
137.09624	10.1
143.08545	9.8
145.04872	7.9
145.10118	15.1
147.11670	18.0
149.09631	14.6
149.13274	18.7
151.11183	19.9
155.10670	13.2
159.11685	11.2
161.05971	6.8
161.13315	6.3
163.07605	7.7
163.11191	7.1
166.08745	5.6
167.07033	7.1
167.14320	7.1
173.13301	21.0
175.07629	5.8
191.14348	6.0
195.13785	7.2
201.16382	12.1
215.52596	5.6
219.17482	22.4
250.95204	5.4
264.92676	5.5
330.46021	6.0
423.67230	5.8
516.92755	5.2
555.24103	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	24.9
57.03426	14.5
57.07077	9.9
61.17321	6.7
63.47326	5.5
67.05507	53.4
69.07065	25.2
71.04985	8.0
72.57549	6.6
79.05492	16.7
81.07063	95.3
83.08605	8.8
85.06541	22.3
88.23096	6.4
91.05470	19.4
93.07058	12.1
95.08598	94.7
97.06501	10.4
102.55347	6.0
105.07042	13.9
107.08607	7.7
109.10165	11.7
112.77763	6.1
119.08575	9.1
121.10137	10.4
123.46484	6.0
133.10043	7.7
135.60715	6.2
138.03920	5.3
139.94676	5.9
142.67250	6.1
147.11667	13.7
165.12621	7.7
173.52029	6.5
203.68001	6.9
257.17508	100.0
315.88419	7.9
337.27356	86.8
343.06906	6.1
352.93585	6.2
429.27655	8.3
438.49030	5.9
440.15097	6.3
519.40338	52.2
520.40521	7.3
554.33008	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	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.4
57.07079	37.3
60.04526	16.8
67.05511	4.3
69.07059	5.0
69.93745	3.8
69.94128	2.8
71.08629	32.5
73.06557	6.6
74.06114	1.7
79.05502	2.8
81.07056	3.4
83.08625	3.8
85.10189	16.6
87.04467	4.7
89.06033	100.0
91.05468	1.9
91.60140	1.6
93.07079	2.2
95.08597	6.3
95.09149	1.9
97.10171	6.8
98.23345	2.0
99.03511	1.7
99.11745	3.1
105.07007	1.9
107.07098	3.9
107.08543	2.8
111.11736	3.5
117.09134	4.0
124.14885	1.6
130.08659	3.2
133.08607	36.9
177.11230	15.0
193.07130	1.6
205.18736	1.8
221.13963	2.5
255.26678	2.1
256.26334	2.4
262.25311	4.6
280.26343	6.3
283.17429	2.3
298.27402	3.9
299.29422	4.9
299.38208	2.0
316.28299	1.7
327.20120	7.4
343.32321	2.0
368.81967	1.7
399.96933	1.8
461.68988	2.0
536.50427	13.0
537.43427	5.8
537.50891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0923
Annotation	3''-Desoxydicranolomin
Peak:m/z	Relative Intensity
53.21774	0.3
55.01857	0.5
55.41226	0.2
65.03946	2.0
67.01873	2.3
67.05476	0.3
68.99796	3.7
69.03426	1.1
69.07075	0.5
69.38077	1.9
72.89954	0.2
74.36973	0.2
79.05504	0.5
81.01766	0.3
81.03407	0.6
81.07043	0.7
83.01326	0.3
83.04987	0.3
85.02901	1.1
87.00825	0.3
88.55647	0.3
91.05476	1.0
93.07031	0.7
95.05014	0.5
95.08606	0.6
97.02905	0.4
105.07041	0.7
107.08620	0.6
109.10178	0.4
111.00827	0.6
111.04457	0.9
112.79148	0.3
119.04932	2.3
119.08593	0.3
121.02869	22.6
121.03950	1.3
121.10169	0.3
122.03221	0.7
127.03916	0.7
129.01816	0.4
131.08667	0.3
133.10081	0.4
145.02881	2.0
145.04962	0.3
145.10063	0.5
147.04512	0.6
153.01836	22.9
154.02185	0.7
155.04950	0.4
159.11755	0.3
163.03908	1.4
171.02901	1.7
171.04318	0.6
183.04462	0.8
185.06151	0.3
187.03897	1.0
189.05469	0.5
199.03978	0.6
201.05498	0.6
203.03311	0.4
211.03925	2.8
213.05475	3.2
215.03331	0.8
221.31361	0.3
225.05449	0.4
229.04836	1.7
237.01958	0.4
237.05528	0.9
239.03384	4.2
239.07100	0.4
240.04149	0.4
241.04936	1.6
242.05751	1.1
243.02879	0.9
253.04959	1.5
255.02994	0.6
255.06638	0.5
257.04459	2.8
258.05179	0.7
263.06964	0.3
265.01312	0.4
265.05035	0.8
267.02927	3.6
267.05789	0.4
269.00845	0.4
269.04477	0.6
270.05151	2.1
271.02866	0.6
271.05960	4.5
279.02902	2.2
281.04495	2.1
283.06143	0.8
285.03931	5.5
286.04688	1.3
287.01974	0.7
289.04996	0.5
291.06717	0.3
293.00861	1.2
293.04266	0.5
295.06076	0.8
297.03934	1.4
299.05539	0.4
305.04681	0.5
307.02405	0.5
307.06088	0.5
307.22690	0.5
309.03976	1.0
311.01819	2.6
319.06149	0.3
321.04095	1.2
323.05475	2.9
325.03351	0.5
327.04944	1.7
331.09689	0.7
333.07712	0.8
335.01862	4.4
335.05481	0.6
343.06339	0.7
345.03641	0.4
347.05521	0.6
347.09232	0.6
349.03555	0.5
351.04944	2.6
353.02905	2.1
357.07556	0.8
361.07114	1.4
363.05087	0.9
365.06619	0.5
373.03369	0.4
375.04718	0.4
377.02890	1.9
383.05203	0.3
389.06360	0.4
393.05957	3.8
395.04010	0.6
402.07123	0.5
403.08124	16.1
404.08270	1.3
417.06058	0.5
419.03986	9.0
420.04486	0.6
429.06000	3.4
430.06058	0.4
435.07071	1.2
437.05206	1.4
471.07117	1.7
513.08282	1.1
555.09229	100.0
556.09515	12.0
558.41248	0.3
573.66699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01881	1.5
56.96573	5.8
69.22772	6.1
70.06598	2.2
79.05496	3.2
81.07045	1.1
84.08152	0.8
86.09723	1.6
91.05485	1.6
95.04965	0.9
95.08625	1.2
98.22616	1.8
98.97586	13.2
103.05473	5.4
105.07035	30.9
106.07346	1.1
115.05468	6.4
116.98634	4.7
118.04170	3.5
119.04955	0.9
121.10178	0.8
131.04861	1.6
133.06487	24.8
134.99632	1.4
137.06021	1.4
143.04996	0.8
143.06076	2.4
147.04396	1.0
149.06076	0.8
151.03920	1.0
157.01773	1.7
158.99658	1.6
161.05983	44.9
162.06326	1.7
175.02734	3.9
179.07063	1.2
185.04141	3.9
193.03955	1.6
193.08615	20.5
199.02928	1.4
200.04424	1.0
201.00629	4.8
203.05304	2.2
217.03882	3.1
219.01805	6.7
222.01973	1.7
231.04195	36.3
231.06041	1.3
232.04520	0.9
234.02029	1.5
243.01767	8.9
244.01942	0.9
252.03067	5.5
261.02808	3.6
267.05389	2.4
270.04144	3.3
281.03323	2.0
285.02826	1.3
291.05310	1.4
303.03906	3.2
309.06552	1.1
331.11624	3.1
347.09509	8.9
349.09622	1.9
363.06863	100.0
364.07269	4.5
375.07330	6.4
381.06985	1.7
393.11853	5.3
499.57828	0.8
555.16479	19.8
555.24744	1.1
556.17212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.01881	1.5
56.96573	5.8
69.22772	6.1
70.06598	2.2
79.05496	3.2
81.07045	1.1
84.08152	0.8
86.09723	1.6
91.05485	1.6
95.04965	0.9
95.08625	1.2
98.22616	1.8
98.97586	13.2
103.05473	5.4
105.07035	30.9
106.07346	1.1
115.05468	6.4
116.98634	4.7
118.04170	3.5
119.04955	0.9
121.10178	0.8
131.04861	1.6
133.06487	24.8
134.99632	1.4
137.06021	1.4
143.04996	0.8
143.06076	2.4
147.04396	1.0
149.06076	0.8
151.03920	1.0
157.01773	1.7
158.99658	1.6
161.05983	44.9
162.06326	1.7
175.02734	3.9
179.07063	1.2
185.04141	3.9
193.03955	1.6
193.08615	20.5
199.02928	1.4
200.04424	1.0
201.00629	4.8
203.05304	2.2
217.03882	3.1
219.01805	6.7
222.01973	1.7
231.04195	36.3
231.06041	1.3
232.04520	0.9
234.02029	1.5
243.01767	8.9
244.01942	0.9
252.03067	5.5
261.02808	3.6
267.05389	2.4
270.04144	3.3
281.03323	2.0
285.02826	1.3
291.05310	1.4
303.03906	3.2
309.06552	1.1
331.11624	3.1
347.09509	8.9
349.09622	1.9
363.06863	100.0
364.07269	4.5
375.07330	6.4
381.06985	1.7
393.11853	5.3
499.57828	0.8
555.16479	19.8
555.24744	1.1
556.17212	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07081	4.7
60.21906	0.6
62.95310	0.6
63.77065	0.6
67.05503	2.8
68.07037	0.7
69.07064	2.3
69.15889	1.9
69.16306	3.4
70.95509	0.6
71.08631	1.9
72.65759	0.6
76.39224	0.7
79.05493	1.6
81.03416	1.4
81.07055	4.2
83.08613	1.4
85.10192	1.7
91.05475	0.7
93.07052	1.9
93.08385	0.7
95.08615	5.7
98.98462	9.5
99.04476	0.7
105.07014	2.3
107.08646	3.0
109.02898	0.8
109.10159	4.1
119.08570	1.8
121.10152	2.1
122.10445	0.7
123.11693	0.8
131.08568	1.0
133.10141	1.4
134.13933	0.7
135.11684	1.2
139.75748	0.6
145.10123	1.5
147.07855	1.0
147.11662	1.9
149.13252	0.9
155.01042	12.8
159.11765	1.0
163.14870	0.6
173.13179	0.7
175.11125	0.8
176.53105	0.6
183.12016	0.6
187.14726	0.7
201.12657	1.2
215.14157	3.1
239.23689	1.1
260.13937	0.8
261.14667	0.7
313.27417	9.0
317.06442	0.9
393.24118	0.8
401.28925	0.8
410.29770	0.8
410.88632	0.6
425.88989	0.7
449.30170	10.5
450.30420	1.3
495.30591	1.1
509.32391	24.5
510.32886	2.2
555.32770	100.0
556.33124	10.2
573.33868	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3295
Annotation	6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
Peak:m/z	Relative Intensity
69.07063	0.4
69.51652	1.6
76.06810	0.3
79.05527	0.3
79.93817	0.3
80.02386	1.5
81.07062	0.7
81.48801	0.3
83.75032	0.3
93.03133	0.3
93.07058	0.4
93.65827	0.3
93.93806	0.3
95.08612	0.5
98.23260	0.4
104.10747	0.7
105.07069	0.3
106.98277	0.3
107.08625	0.9
109.10189	0.4
109.97158	0.3
119.08602	0.8
121.10178	0.7
123.08116	0.3
123.11743	0.7
133.10112	0.5
135.08067	0.3
135.11734	0.6
135.33606	0.3
145.06235	3.1
145.10124	0.3
146.07063	0.4
147.11736	0.6
148.02007	0.3
148.12148	0.3
159.07916	0.7
159.11705	0.3
184.53363	0.3
189.16660	0.4
192.34143	0.3
201.12701	0.7
210.37794	0.3
215.14075	11.5
216.14822	1.4
217.12062	1.4
245.11534	3.7
259.13034	1.5
260.13907	1.8
261.14706	2.3
275.12582	0.5
286.86160	0.3
292.12924	0.6
312.09842	0.3
326.11227	0.3
340.13095	0.5
341.13556	0.8
342.10880	0.6
357.13043	0.5
371.14896	0.4
372.15302	1.4
415.17596	0.7
416.17691	2.6
477.29733	1.7
495.30548	1.1
509.32733	0.5
537.32031	7.4
538.32355	0.6
555.32977	100.0
556.33350	10.1
573.34058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.07067	2.2
59.06114	1.5
67.05509	2.0
69.07069	1.2
69.34886	1.2
69.35291	4.5
70.06583	1.2
79.05489	1.0
81.07067	2.1
83.08614	1.9
88.07619	0.9
89.06037	1.5
91.05490	2.0
93.07034	1.1
95.08607	3.6
97.10164	0.8
105.07033	1.6
109.10184	2.1
119.08573	2.6
119.95826	0.8
121.10178	1.5
132.10228	1.1
135.11699	1.0
140.44795	0.7
143.08582	0.9
145.10143	0.8
148.24536	0.8
153.94031	0.7
157.10114	0.9
159.11789	1.2
173.16205	0.7
256.26370	1.8
283.26260	5.5
300.29010	2.6
311.29510	1.3
337.87363	1.0
437.30286	1.0
497.88275	0.9
555.34448	100.0
556.34711	9.5
556.52954	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	555.366
Annotation	Muscanone
Peak:m/z	Relative Intensity
55.05512	0.5
57.07092	0.4
62.02798	0.3
67.05513	0.8
69.07069	1.0
69.51720	0.3
70.46437	0.3
70.73671	0.3
71.31783	0.4
75.62556	0.3
76.77376	0.3
79.05472	0.6
79.39555	0.3
81.07082	1.6
83.08601	0.6
89.06030	4.8
91.05482	0.8
93.07039	1.2
95.08614	1.8
97.10194	0.5
97.57575	0.3
105.07035	0.9
107.04735	0.4
107.08608	1.2
108.05488	1.2
109.02651	0.3
109.10184	1.0
110.03417	0.5
119.08581	1.0
121.10175	1.0
122.32156	0.3
123.11716	0.7
131.08577	0.4
133.08609	2.3
133.10143	0.9
134.07047	0.9
134.88440	0.3
135.11714	0.8
137.13251	0.4
145.10094	0.5
147.07837	0.7
147.11670	0.5
148.08604	1.2
161.09389	8.6
162.10159	1.1
169.10094	0.3
173.13150	0.3
175.10992	0.9
176.11740	2.9
177.11243	1.1
189.12578	0.6
191.10457	2.3
194.09145	0.7
203.10489	0.4
208.10725	0.8
231.13644	0.6
245.15173	1.9
246.15892	2.7
247.13078	10.9
247.16682	4.6
248.13319	0.4
248.17003	0.5
259.16806	1.4
260.17496	3.0
261.14685	1.5
261.18280	5.7
262.15384	3.7
262.18015	0.5
263.16183	11.3
264.16440	0.7
331.18872	1.0
347.18497	0.7
349.19611	0.5
371.22751	1.1
428.94891	0.3
495.33954	1.4
511.37216	1.3
537.34723	0.5
555.36841	100.0
556.37201	10.3
573.36688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3659
Annotation	Muscanone
Peak:m/z	Relative Intensity
55.05529	1.1
64.69122	0.9
67.05543	1.1
71.32476	1.4
79.05489	1.2
81.07047	2.4
82.16837	1.0
91.05849	2.5
93.07069	2.2
95.08639	2.4
105.07037	2.0
107.08621	2.8
109.10201	1.7
119.08623	1.9
121.10153	1.3
129.68649	1.0
133.10167	1.3
135.11754	1.3
147.11665	1.3
156.12050	0.9
170.10808	1.0
199.46144	0.9
225.04280	1.7
226.04443	1.5
285.01288	1.1
299.06137	1.1
356.07303	2.0
495.34500	4.6
509.36530	1.1
537.35425	1.8
555.36639	100.0
556.36969	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	4.4
57.07090	1.3
59.05011	3.9
67.05522	5.0
69.07077	8.0
69.90740	0.8
71.05001	25.4
71.08660	1.1
78.77705	0.8
79.05521	3.4
81.07066	6.9
83.05025	1.5
83.08644	1.7
84.67718	0.9
89.06054	1.2
91.05486	4.0
93.07049	7.4
95.04987	2.0
95.08614	11.2
97.06538	10.1
97.10218	1.0
103.05505	1.1
105.07040	6.3
107.08604	11.4
109.06519	1.7
109.10157	6.1
115.07575	43.9
117.07072	1.9
119.08598	8.7
121.10143	7.5
121.52551	0.9
123.08057	1.4
123.11683	4.5
125.09672	1.8
129.07022	1.7
130.07817	0.9
131.08556	5.0
133.08630	0.9
133.10156	5.7
135.08112	0.9
135.11717	4.1
142.07828	1.5
143.08582	5.2
145.10136	6.9
147.07947	1.0
147.11696	4.4
149.13275	2.3
151.22798	0.9
155.08569	4.1
156.09384	1.8
157.10150	9.3
159.11716	11.6
159.12970	0.9
161.13330	3.0
168.09386	1.5
169.10127	6.2
171.11688	8.2
173.13249	5.3
175.14931	1.6
181.10210	1.8
181.12270	1.4
182.11006	1.4
183.11711	5.9
185.13258	6.6
187.14859	7.3
189.16365	1.0
193.10204	1.1
195.11810	4.0
195.13821	1.3
196.12460	1.7
197.13307	6.0
199.14899	3.4
201.16513	1.8
207.11722	1.2
209.13271	5.5
210.14023	1.5
211.14803	4.7
213.16458	2.0
221.13341	1.5
223.14917	3.5
224.15619	2.1
225.16483	5.2
227.18071	3.6
229.19499	1.9
235.15042	2.2
237.16518	3.6
239.17964	9.4
241.19617	1.6
245.15298	1.5
247.16760	3.9
251.18027	2.8
253.19620	2.7
263.18094	1.6
265.19736	1.9
278.20538	1.4
279.21024	1.1
293.22675	9.6
295.24237	14.1
296.24725	1.1
299.20035	2.8
315.23169	1.4
323.27341	7.5
331.18988	1.5
333.25943	3.6
351.26947	4.4
357.24283	1.8
411.28943	18.8
412.29245	2.0
413.30551	1.9
419.33151	7.6
437.34070	12.2
438.34622	1.3
451.32285	1.3
465.33496	2.2
469.33981	1.4
495.35373	4.4
525.35840	2.3
537.39270	3.9
555.36597	100.0
556.37146	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	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52254	1.8
53.03934	2.2
55.01863	4.3
65.03938	2.6
70.06581	1.6
70.61722	2.9
70.97937	1.6
71.30486	1.5
79.05499	5.2
81.07040	1.6
85.02908	4.9
91.05484	34.5
91.41545	1.4
92.83847	1.3
93.07050	3.0
94.04192	3.1
95.04984	4.2
97.02915	1.7
103.05471	49.1
103.96908	1.5
105.03389	6.4
105.07034	23.1
106.07394	2.0
107.04939	4.1
107.16581	1.5
109.06505	9.3
115.05465	5.7
117.07005	1.8
118.04203	2.0
119.04947	49.8
121.06524	4.6
122.03613	3.3
123.08028	3.4
127.03934	2.4
129.06996	3.7
130.04135	1.7
131.04933	100.0
132.05363	2.0
133.02853	9.0
133.06497	21.4
137.05981	85.8
138.06326	2.2
143.06009	2.5
145.06505	1.5
147.04419	16.8
147.08044	1.9
149.05997	6.5
151.07570	19.8
157.06505	2.6
160.05246	2.1
161.05991	76.1
162.06726	8.0
163.07541	49.0
165.05493	3.9
172.05199	1.9
175.07555	19.6
179.07033	24.8
187.07549	14.9
189.09143	4.1
191.08498	1.8
193.08649	5.5
205.08574	11.9
205.48232	1.5
217.08611	4.9
219.08177	3.5
231.07976	1.7
235.09575	2.8
247.07573	2.6
251.10637	5.7
256.83252	1.5
265.16000	1.7
278.69763	1.6
279.10193	6.5
291.10156	4.8
296.10492	1.7
309.11218	9.1
311.12750	13.9
323.12753	4.4
329.13809	2.7
341.13748	7.9
359.14972	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05491	0.9
65.03929	2.0
69.03426	1.9
70.06585	1.1
70.47832	1.7
70.57616	0.8
81.07058	1.6
84.62982	0.8
85.02918	4.1
91.05494	2.8
93.03406	2.2
94.04166	0.9
97.02917	1.0
102.35666	0.8
103.05466	6.3
105.07056	1.2
109.06482	1.5
111.04434	1.1
115.05437	4.0
117.07051	2.0
119.05014	1.7
122.03642	5.8
125.06024	2.0
128.06239	4.0
129.07002	15.9
129.07907	1.5
131.04927	14.6
137.05975	100.0
138.06343	2.0
143.04922	3.5
144.05687	1.7
145.05034	1.0
145.06509	2.5
146.03668	1.1
147.07993	1.0
149.05997	1.0
151.03966	1.3
151.07562	1.4
153.05461	5.3
157.06493	15.8
158.07063	1.1
160.05202	6.5
161.05971	4.5
163.07545	9.5
165.05443	1.0
172.05180	2.2
174.06787	6.4
175.07553	29.4
176.07999	0.9
177.09166	1.3
179.07056	1.7
185.05959	1.0
187.07545	34.4
188.07965	1.5
189.09122	32.6
190.09514	0.9
191.08621	1.7
199.07613	1.7
200.79549	0.8
203.08504	2.1
205.08505	4.4
207.10170	2.9
211.07558	1.1
217.08601	9.7
219.08075	3.5
220.08803	1.9
223.80011	0.8
231.08069	4.5
239.65396	0.8
240.07880	1.1
247.07526	3.5
248.08247	3.0
251.10667	2.3
255.06509	1.4
259.07498	0.9
263.10715	3.9
264.07623	1.1
265.08606	1.9
270.08826	3.9
271.09634	3.6
275.07120	0.8
276.07663	1.7
279.10120	6.0
280.10849	1.2
283.09698	3.6
291.10214	10.2
292.10559	1.2
296.10388	2.3
297.11612	0.9
309.11298	1.4
311.12772	17.3
323.12796	16.2
324.13104	1.0
329.13696	1.6
341.13824	24.7
342.14304	1.6
557.15100	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
56.24363	1.8
56.58740	1.8
60.02804	1.9
67.66761	1.8
71.10983	4.3
71.11329	2.2
72.51628	2.0
79.05459	4.5
85.02895	8.4
91.05489	24.4
94.04186	1.7
95.04982	3.8
103.05475	42.9
105.03387	5.8
105.07026	14.7
107.04930	4.6
109.06529	4.7
115.05424	4.1
119.04943	38.2
121.06524	3.7
122.03648	4.3
123.08064	3.7
129.06972	5.8
131.04924	100.0
133.02875	5.8
133.06500	17.0
137.05978	78.9
138.06319	2.3
145.04930	2.6
147.04399	15.4
149.05949	5.9
151.07520	18.8
153.05455	2.0
153.93704	1.8
157.06526	4.8
159.08063	3.3
160.05203	4.3
161.05974	62.8
162.06635	4.4
163.07533	49.9
165.05482	2.4
172.05176	2.0
174.06816	2.0
175.07555	21.7
179.07045	14.6
180.48645	1.7
187.07588	18.5
189.09070	6.1
193.08655	2.0
205.08560	11.5
217.08730	4.2
219.08084	4.9
248.08414	2.5
251.10594	1.8
279.10251	3.9
291.10144	6.9
309.11282	4.0
311.12692	15.3
323.12604	5.4
329.13785	2.1
341.13794	7.4
542.92236	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	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05395	0.2
51.02384	0.3
54.93539	0.2
61.20311	0.2
66.01831	0.2
69.34046	1.1
69.34455	0.6
79.05499	1.0
91.05470	1.3
93.07062	1.6
95.04977	0.5
103.05473	7.3
107.04965	1.8
120.08109	100.0
121.06489	0.3
121.08437	2.6
131.04922	2.2
149.05960	2.5
166.08641	45.7
167.07069	2.9
167.08994	1.7
181.08626	1.2
211.09656	3.6
238.20059	0.3
241.66452	0.3
279.11151	0.3
309.40256	0.3
384.39450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03701	0.7
66.87806	0.6
69.03436	1.0
70.06580	1.4
70.37707	1.9
79.05476	1.2
81.07024	1.4
83.04999	1.0
83.91506	0.8
85.02888	1.8
91.05478	4.4
93.03414	1.5
94.04179	2.8
95.04945	1.2
103.05467	8.6
105.07012	1.8
105.48259	0.7
107.04924	1.2
109.06505	3.0
111.04430	1.6
114.79967	0.8
115.05450	3.3
117.06991	1.4
119.04939	3.3
122.03645	4.2
125.06003	1.9
128.06247	4.1
129.07005	18.3
131.04929	20.2
131.08568	1.0
133.02745	0.9
137.05975	100.0
138.06335	2.9
143.04919	2.7
144.05710	1.5
145.05052	0.8
145.06444	1.6
146.03636	0.9
147.04391	1.3
147.26486	0.7
149.05949	1.2
151.03915	1.2
151.07520	2.0
153.05444	6.9
157.06483	18.0
158.07118	1.5
160.05208	5.5
161.05983	6.8
163.07538	12.1
172.05211	4.7
173.06017	0.7
174.06779	8.3
175.07552	34.7
176.07899	1.3
177.09099	1.0
179.07008	2.7
185.06006	0.9
187.07550	38.1
188.07991	2.3
189.09111	32.4
190.09401	1.5
191.08644	1.3
199.07471	0.9
203.08578	2.3
205.08572	4.7
207.10165	4.0
211.07529	1.2
217.08626	8.9
218.08905	0.8
219.08160	3.4
220.08733	1.0
228.87527	0.8
231.07979	3.6
235.09799	1.4
240.07947	0.9
247.07555	2.7
248.08186	3.7
251.10683	2.8
255.06564	0.9
259.07544	2.6
260.08270	0.8
263.10614	4.4
265.08542	1.2
270.08795	3.5
271.09622	3.6
276.07831	2.0
279.10080	5.9
283.09644	2.7
291.10129	9.8
292.10614	1.2
296.10431	2.0
308.10452	1.2
311.12814	17.3
312.12683	0.8
323.12750	15.7
324.12961	1.1
329.13800	2.5
341.13864	26.5
342.14102	2.1
424.85223	0.9
557.14679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01860	1.3
61.02943	0.6
63.40464	0.4
69.03422	1.3
70.06592	1.0
78.04701	1.1
79.05482	3.5
79.12536	0.4
81.03405	0.5
85.02913	4.5
86.09718	0.7
91.05471	2.1
95.04967	0.8
97.02882	1.3
103.05470	4.2
105.07028	22.7
107.04930	1.4
109.06555	0.7
109.22276	0.5
115.05447	3.9
117.07021	0.8
118.04214	0.8
119.04921	1.0
121.06532	0.6
123.04425	2.5
124.05184	0.8
131.04889	2.6
131.08591	0.9
132.05731	0.6
133.06490	26.2
134.06813	1.1
134.42525	0.5
137.05960	1.5
141.06982	1.6
143.04924	1.0
143.06023	1.4
145.06468	2.0
147.04404	1.2
149.05971	1.5
151.03902	1.0
151.07506	0.6
152.04681	0.7
159.08026	1.1
161.05975	100.0
162.06314	3.5
163.07552	1.3
167.07040	35.1
168.07397	1.2
169.06468	2.3
173.05974	3.6
175.07521	1.2
177.05664	0.6
178.06241	0.7
179.07011	2.4
181.08585	1.4
187.07532	11.0
188.07941	0.7
191.07034	1.7
193.08598	53.8
194.08972	1.8
203.08519	0.6
231.08069	0.8
248.26576	0.4
249.09007	0.7
259.07651	1.0
263.10754	0.4
277.08707	1.4
289.37988	0.4
294.08701	0.5
309.11142	1.8
323.12796	1.5
329.13528	0.5
341.13834	29.0
342.14075	1.8
355.97372	0.5
359.14902	2.9
360.15338	0.6
392.37775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01849	0.3
55.28308	0.2
59.99581	0.2
65.03924	0.3
69.03420	0.4
69.19170	0.6
69.19570	1.4
70.06584	1.0
72.08147	0.6
78.04704	1.0
78.88364	0.2
79.05479	0.8
79.40771	0.3
81.03410	0.6
81.07063	0.3
84.08136	0.3
85.02897	1.3
86.09701	0.6
91.05473	0.9
93.07048	0.3
95.04970	0.5
97.02884	1.1
97.06580	0.2
98.22572	0.3
103.05460	1.1
105.07028	0.6
106.04161	0.7
107.04945	1.0
109.02856	0.4
110.07206	0.3
121.06498	0.4
122.03637	0.5
123.04436	3.3
124.05197	1.0
127.03941	0.4
131.04942	1.7
133.06496	0.7
134.03589	0.3
137.05984	1.7
146.40303	0.2
149.06004	2.1
151.03909	0.8
152.04704	1.2
161.06001	0.7
167.07039	100.0
168.07387	3.0
179.07039	0.4
181.08620	0.8
188.03757	4.9
193.08611	3.5
211.09641	9.4
212.10034	0.3
229.15636	0.3
309.16595	0.3
314.06967	1.1
478.44864	0.3
513.21771	0.3
557.29297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.8
57.03440	4.4
61.02938	3.0
65.03964	2.4
67.05514	4.3
69.03443	11.6
69.07075	2.7
69.35944	12.7
69.36330	4.8
70.06583	9.6
71.04993	8.2
77.03931	3.1
79.05492	9.4
79.43997	2.2
81.03411	3.9
81.07059	3.0
84.08147	4.5
85.02903	17.7
86.09724	5.4
87.04475	2.7
91.05482	37.0
93.07037	8.8
95.04964	5.5
95.08585	2.4
97.02902	6.7
97.06558	2.9
98.22651	4.3
103.05474	29.6
105.03372	5.3
105.07035	18.5
107.04963	4.1
107.08597	6.6
109.02840	3.5
109.06512	10.4
109.10172	2.4
111.08066	2.5
115.05473	4.6
117.07059	3.9
119.04955	34.3
119.08582	5.4
120.08134	4.6
121.06532	5.9
121.10140	8.0
122.03638	6.4
123.08041	3.5
124.07611	3.2
127.03934	6.2
129.06981	3.5
131.04932	43.8
133.02849	3.0
133.06506	10.5
133.10100	2.9
135.08070	4.8
137.05980	100.0
138.05467	4.3
145.04953	3.7
146.07310	3.3
147.04437	14.9
147.08107	3.5
149.05975	6.2
149.09618	7.6
151.07555	16.8
152.07086	9.7
157.06487	3.8
159.08087	4.8
161.05980	36.5
162.06781	2.8
163.07555	38.9
165.05476	3.1
172.05310	3.5
175.07539	24.4
177.05505	4.1
177.09125	3.5
179.07031	23.7
180.06496	16.5
187.07553	12.1
187.28699	2.5
189.09157	4.1
191.07082	2.4
193.08667	7.6
205.08473	2.5
207.10120	3.2
217.08606	7.4
219.08115	4.4
234.10173	2.2
235.09619	3.9
244.09496	3.7
247.07533	2.7
251.10504	2.6
252.95644	2.3
260.08435	4.1
279.10120	4.7
291.10046	8.1
309.11218	17.1
311.12775	16.4
323.12634	4.4
329.13663	3.9
341.14050	10.6
341.23154	4.3
342.14145	2.4
348.44531	2.5
359.24323	3.1
368.17776	2.7
386.10812	3.9
393.13947	2.6
394.14578	11.9
557.22131	3.0
557.29645	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	556.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01869	8.5
55.05505	4.3
57.03441	6.3
61.02923	5.2
67.05495	3.5
68.94060	0.8
68.99777	3.6
69.03428	39.2
69.07064	11.1
70.03732	0.8
70.06585	2.0
71.01334	0.8
71.04996	7.6
71.31620	1.1
72.48228	0.8
73.02918	7.4
79.05491	2.2
81.03417	29.3
81.07063	4.3
83.01346	1.2
83.04967	1.5
85.02905	100.0
85.06526	2.3
86.03230	1.3
86.09727	0.8
87.00828	48.0
91.03971	1.2
91.05482	2.0
93.07050	2.9
93.68816	0.7
95.04982	1.3
95.08599	2.0
97.02897	37.8
97.24220	0.8
99.04452	17.2
100.11434	0.8
101.02368	0.8
103.03909	1.0
103.65654	0.7
105.01864	72.8
105.07029	1.8
107.08571	1.7
109.02876	38.7
109.06483	1.6
109.10165	1.5
111.04422	0.9
111.08071	0.8
111.11707	2.5
115.03935	2.2
117.01848	3.2
117.07031	1.1
119.08591	1.8
121.10108	1.3
123.11761	0.9
127.03913	81.4
128.04228	1.9
129.01834	4.2
137.05978	1.0
144.06596	0.9
145.04956	37.4
145.06123	1.8
147.02882	1.9
147.11659	1.3
159.02882	15.7
163.05969	1.2
171.02875	1.4
173.09543	1.0
177.03952	1.1
189.03940	3.0
213.03938	8.0
226.14433	2.2
231.04990	28.3
249.06041	13.3
253.07074	3.6
253.14128	0.9
271.05621	1.0
271.08197	1.8
376.25806	1.0
556.38159	1.0
557.26880	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	556.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01869	8.5
55.05505	4.3
57.03441	6.3
61.02923	5.2
67.05495	3.5
68.94060	0.8
68.99777	3.6
69.03428	39.2
69.07064	11.1
70.03732	0.8
70.06585	2.0
71.01334	0.8
71.04996	7.6
71.31620	1.1
72.48228	0.8
73.02918	7.4
79.05491	2.2
81.03417	29.3
81.07063	4.3
83.01346	1.2
83.04967	1.5
85.02905	100.0
85.06526	2.3
86.03230	1.3
86.09727	0.8
87.00828	48.0
91.03971	1.2
91.05482	2.0
93.07050	2.9
93.68816	0.7
95.04982	1.3
95.08599	2.0
97.02897	37.8
97.24220	0.8
99.04452	17.2
100.11434	0.8
101.02368	0.8
103.03909	1.0
103.65654	0.7
105.01864	72.8
105.07029	1.8
107.08571	1.7
109.02876	38.7
109.06483	1.6
109.10165	1.5
111.04422	0.9
111.08071	0.8
111.11707	2.5
115.03935	2.2
117.01848	3.2
117.07031	1.1
119.08591	1.8
121.10108	1.3
123.11761	0.9
127.03913	81.4
128.04228	1.9
129.01834	4.2
137.05978	1.0
144.06596	0.9
145.04956	37.4
145.06123	1.8
147.02882	1.9
147.11659	1.3
159.02882	15.7
163.05969	1.2
171.02875	1.4
173.09543	1.0
177.03952	1.1
189.03940	3.0
213.03938	8.0
226.14433	2.2
231.04990	28.3
249.06041	13.3
253.07074	3.6
253.14128	0.9
271.05621	1.0
271.08197	1.8
376.25806	1.0
556.38159	1.0
557.26880	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	556.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
54.28728	1.8
55.01862	5.1
55.05507	4.5
57.03436	1.8
57.07068	3.7
60.04530	2.1
61.02922	3.7
65.23399	1.7
67.05505	7.1
69.03431	14.7
69.07069	8.9
69.30525	6.5
69.30932	5.6
70.49552	2.1
71.05003	3.5
73.02924	3.4
79.05486	5.2
81.03413	10.0
81.07053	15.9
81.70491	1.8
83.08624	5.8
85.02908	35.8
87.00827	16.2
91.05502	10.0
93.07028	6.3
95.08617	13.7
97.02900	12.6
99.04452	6.8
105.01865	32.5
105.07047	7.7
107.04957	13.6
107.08588	7.4
109.02872	15.9
109.10156	6.4
111.11723	2.8
117.07024	3.2
119.08586	9.7
121.06499	1.8
121.10144	6.1
123.11700	4.5
127.03926	29.7
130.36127	2.0
131.08568	5.1
133.10136	8.1
135.08067	2.4
135.11691	7.0
137.06018	2.6
137.13260	3.0
143.08528	3.4
145.04956	15.6
145.10120	6.3
147.11650	3.4
149.09569	2.3
149.13263	3.8
157.10077	3.0
159.02890	3.9
159.11705	2.1
161.13261	4.0
163.11177	8.2
172.06943	1.8
173.13300	3.1
175.11174	3.0
177.12787	2.5
185.13274	4.1
189.12794	3.5
197.13255	2.6
199.14868	7.4
203.14314	2.8
213.16380	2.5
217.15927	7.7
231.05045	17.0
233.90605	2.1
249.06093	8.7
255.21051	13.7
273.22128	100.0
274.22534	5.1
556.09033	3.4
556.29950	12.9
557.32104	6.4
558.20715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70575	4.4
53.03952	6.3
55.01884	8.4
57.07072	5.9
67.05509	12.1
68.99809	4.3
69.03440	18.9
69.07069	10.8
71.04996	6.7
71.31102	5.6
79.05479	10.7
81.03431	18.7
81.07056	22.6
83.08604	6.9
84.87108	4.5
85.02911	74.2
87.00841	25.3
87.01294	4.7
91.05499	15.2
93.07039	11.3
95.04937	5.8
95.08638	22.6
97.02898	24.4
99.04475	8.8
105.01871	97.9
105.07047	14.2
107.04957	9.8
107.08610	8.8
108.41714	4.7
109.02892	26.9
109.10181	8.8
117.07095	4.9
119.08579	13.9
121.10155	13.0
123.11701	9.5
127.03944	65.6
131.08553	5.1
133.10114	9.8
135.11702	9.8
137.13280	5.9
143.08621	7.1
145.05016	28.3
145.10118	9.5
147.11694	9.2
159.11694	6.7
163.11160	6.6
166.58270	5.3
173.13390	5.4
189.12743	5.5
204.78934	5.6
213.04019	7.1
213.16359	5.6
231.04944	34.8
249.06100	18.3
255.20998	21.7
273.22134	100.0
274.22495	11.5
284.60788	4.8
297.55966	4.5
346.95782	4.5
419.08072	9.5
475.67654	5.1
557.23602	9.2
557.33099	8.7
582.04803	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	556.9659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	6.9
71.28807	0.4
71.95274	2.1
72.04708	0.3
93.24876	0.3
98.97589	81.4
99.97930	0.5
116.98631	46.1
130.93318	0.8
134.99666	13.9
140.00203	0.9
153.00716	1.3
154.93379	0.3
172.94366	4.3
190.95433	4.0
197.95116	0.6
208.96431	1.5
214.95386	2.7
232.96457	8.7
248.94475	0.4
250.97536	3.7
256.96423	16.7
258.99796	1.9
274.97519	100.0
275.97968	2.3
276.97952	0.6
277.00876	2.6
288.92343	0.4
290.95569	0.9
292.98581	63.6
293.98917	1.4
294.98627	0.4
297.98981	1.7
298.97702	0.7
299.97809	0.3
300.97427	0.4
301.00922	0.7
303.00894	0.4
310.99658	0.4
316.00128	1.1
316.98810	1.3
318.98724	0.5
330.93207	0.4
332.96606	0.6
372.94565	0.5
374.97971	0.4
390.95612	0.7
398.97681	3.4
414.95374	26.4
415.95590	0.7
416.98746	8.9
417.98770	1.0
432.96457	40.4
433.96799	1.2
435.00003	1.6
440.98865	0.5
450.97516	7.4
455.97983	1.2
472.94348	1.3
514.96100	0.4
541.98816	0.4
556.96564	8.8
557.96686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60981	1.1
71.30505	1.7
80.86540	1.4
82.99889	3.7
85.02897	3.0
97.02888	3.3
98.97590	2.9
101.00882	22.7
101.01486	2.1
113.00893	6.5
115.02465	2.0
115.17915	1.5
117.04034	2.5
119.01926	45.9
120.02035	1.3
127.02411	8.9
129.04037	3.4
131.01921	20.6
133.03468	1.8
137.02950	4.4
139.02415	2.0
141.03975	2.8
143.01904	30.3
145.03471	52.7
146.03604	1.6
147.01376	2.0
147.05089	2.1
149.02922	1.9
153.04053	2.5
155.01897	23.0
157.03497	13.1
159.05054	16.9
161.02963	36.3
162.03168	2.0
163.04628	7.0
167.01906	11.3
169.03479	48.1
171.01459	3.9
171.05057	14.0
173.02975	35.0
175.04543	4.1
179.01935	4.8
181.03491	6.5
183.05046	2.1
185.02969	52.1
186.03168	2.7
187.04523	72.1
188.04759	3.1
189.02454	12.9
189.06125	3.0
195.05019	1.7
197.02968	23.9
199.04532	15.7
201.06126	2.5
203.03972	15.6
204.04384	1.5
207.03374	2.5
209.03032	2.8
210.06181	1.5
211.04550	12.1
213.02457	12.2
213.06111	2.9
215.00420	1.4
215.04022	16.6
217.05525	1.6
219.01642	2.2
221.03091	2.4
221.05121	4.0
223.04475	2.6
225.02455	5.3
227.04002	11.0
229.05586	4.1
231.03525	22.6
232.03659	1.7
233.01598	1.6
237.02708	1.6
239.03957	2.8
243.03490	3.8
245.05083	100.0
246.05327	5.8
253.05666	2.1
257.01517	6.2
257.05209	6.2
263.06143	13.5
271.06711	13.5
273.04550	2.8
274.99701	1.3
275.02524	43.6
275.06128	51.7
276.02737	1.6
276.06384	3.3
278.30032	1.3
279.03983	2.1
285.04456	1.6
287.02475	15.9
287.06091	3.9
289.07690	2.7
293.03552	12.7
293.07166	9.5
305.03558	15.6
305.07224	12.8
306.03665	1.5
315.05496	3.9
317.03458	3.3
317.07144	1.7
333.06772	2.1
335.04575	17.4
335.08276	7.1
341.03378	2.3
359.04559	16.1
365.09250	7.9
377.05557	28.5
378.05325	1.8
395.06680	42.2
396.07101	3.1
437.09186	2.1
539.10852	5.0
545.67249	1.4
557.11481	15.9
558.12561	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49532	1.4
70.06596	2.3
70.06934	0.5
72.08150	0.5
76.24033	0.3
84.04515	0.4
84.08140	1.0
86.09705	0.4
91.05448	0.3
93.91467	0.3
95.01095	0.5
95.72285	0.3
98.22622	0.6
103.05463	0.5
105.07056	1.5
108.42503	0.3
110.07138	0.4
113.02124	0.7
129.10234	0.3
133.06483	0.7
133.97725	0.3
137.05981	0.8
141.05255	0.5
153.05487	0.3
157.04782	0.3
161.06003	2.0
163.93970	0.3
164.34514	0.2
167.03212	0.5
169.04745	0.7
184.04974	0.7
185.04198	1.7
185.05649	0.4
193.08681	0.4
201.03741	0.9
203.05228	2.0
215.06821	1.6
217.04797	0.4
232.07048	4.6
233.07704	0.5
245.06287	1.7
259.07932	1.1
305.08426	0.5
331.10074	1.3
347.09534	8.0
348.10037	0.3
379.13513	2.5
380.14017	0.4
385.47925	0.4
395.13223	1.1
526.16437	0.8
527.17310	0.5
557.18396	100.0
558.18811	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	557.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03991	0.4
58.73542	0.4
60.04506	0.4
69.03434	0.4
70.06594	5.1
71.31233	0.4
72.08154	0.9
82.91284	0.4
83.01083	0.4
84.04514	0.7
84.08147	2.0
85.02915	0.5
86.09712	1.2
91.05480	0.9
93.73817	0.4
95.01122	0.5
96.01881	0.5
102.05573	0.4
103.05484	0.7
105.07040	0.8
119.04956	0.5
129.10240	0.6
131.04973	1.2
132.05270	0.8
133.06406	0.4
137.05995	2.2
138.06343	0.8
138.39369	0.3
147.04298	0.4
161.05992	1.1
161.98511	0.4
163.07600	0.5
171.07811	0.4
175.07422	0.5
179.07074	0.5
184.04913	0.5
185.04259	1.9
185.05731	0.4
187.07507	0.5
201.03822	0.6
203.05318	2.0
215.06856	1.1
232.07056	3.3
233.07858	0.9
235.30225	0.4
245.06371	1.0
259.07962	1.3
259.82541	0.5
260.43716	0.4
296.10480	0.4
300.40430	0.5
303.10284	0.5
305.08606	0.7
324.13046	0.5
331.10034	0.7
332.51328	0.4
347.09494	10.0
347.13428	0.8
351.23279	0.4
395.12833	1.6
557.18396	100.0
558.18805	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	557.3087
Annotation	Dronedarone
Peak:m/z	Relative Intensity
53.49828	2.3
55.97701	2.8
57.07071	8.4
69.07072	3.2
69.16160	12.6
69.16570	6.7
71.08611	4.1
81.07040	4.3
85.10197	6.0
89.06002	3.4
109.10143	4.6
121.28835	2.9
123.80241	2.4
135.11815	2.4
155.78798	2.6
239.23720	3.1
283.26334	6.5
300.29071	2.8
307.89279	2.6
313.27414	10.4
415.76556	2.8
517.81671	3.6
556.52783	11.8
557.30841	100.0
557.39520	5.2
557.53082	8.0
558.31000	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	557.309
Annotation	Dronedarone
Peak:m/z	Relative Intensity
51.32101	2.5
55.05523	3.0
57.07073	8.0
65.58839	3.0
67.05499	5.0
69.20081	3.3
70.06595	3.3
70.59096	2.7
71.08621	6.1
81.22227	2.3
83.08636	2.9
89.06040	29.9
95.08601	4.9
98.23356	5.8
106.01891	2.9
111.70098	2.8
115.36498	3.2
133.08592	22.2
162.91197	2.6
177.11188	5.2
256.26376	3.0
313.27493	8.3
371.22672	5.0
405.63058	3.4
473.80258	3.1
556.52588	8.0
557.30829	100.0
557.39423	4.8
557.53497	6.7
558.31067	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	557.3456
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
50.29927	0.6
55.05521	0.7
60.08188	1.3
62.79972	0.6
67.05511	0.7
69.07067	1.8
71.07378	0.6
71.29939	0.7
79.05486	1.0
81.07058	2.1
82.05625	0.7
83.39464	0.5
85.06572	0.6
86.09716	4.4
91.05486	0.8
93.07061	1.8
95.04969	0.9
95.08608	2.5
104.10748	17.8
105.07038	1.9
105.11105	2.7
107.08611	2.8
109.10179	1.9
113.46820	0.6
119.08607	3.1
121.10153	4.6
131.08586	1.5
133.10158	1.7
135.11725	0.9
137.09596	0.8
143.08595	1.2
145.10138	1.5
147.11687	1.2
150.15135	0.8
151.11092	0.7
157.10156	1.2
159.11739	1.3
161.09627	0.9
161.13268	0.9
163.11296	0.7
169.46060	0.7
173.13293	1.1
175.11290	0.9
185.13315	0.8
195.11646	0.9
201.16447	1.0
241.15987	0.6
245.77258	0.8
317.21027	1.6
355.18848	0.8
479.27911	1.0
497.21069	1.5
497.32007	3.7
498.21277	3.2
527.32623	0.9
539.34070	3.2
557.34918	100.0
558.35260	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	557.3453
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
51.42723	0.5
55.05523	0.6
67.05524	1.3
69.07093	0.6
71.05060	0.6
71.30791	0.8
79.05520	0.9
81.07072	1.0
82.46825	0.5
93.07063	0.9
94.03971	4.4
95.04981	0.7
95.08644	2.0
105.07050	1.1
107.04758	1.8
107.08633	1.2
109.02670	0.6
109.10179	1.6
117.07129	0.5
119.08618	1.8
121.10153	1.3
123.11716	1.1
127.58651	0.6
133.10144	1.1
134.90855	0.5
135.11711	1.0
137.06046	0.7
137.13292	0.6
143.08539	0.6
147.07919	1.0
147.11716	0.7
159.11792	0.8
161.09380	5.4
162.10139	0.8
165.08923	0.5
166.09683	1.4
175.11060	0.8
176.11772	1.2
177.12535	8.0
179.10446	4.7
181.08461	0.8
191.10590	1.0
194.09164	0.6
207.10019	1.4
208.10809	0.6
247.13058	5.3
250.15578	1.5
261.14804	1.3
262.15506	2.1
263.16193	4.0
265.14175	1.8
277.14224	1.1
279.15686	4.7
495.34894	0.8
539.33655	3.3
557.34631	100.0
558.35004	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	557.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05437	3.0
55.05507	5.7
57.07085	3.6
59.05043	2.8
59.87965	3.3
67.05508	17.2
69.07061	13.9
70.39958	3.0
70.92177	3.2
71.04996	42.1
76.25005	2.8
79.05478	9.1
81.07064	23.0
84.19668	3.3
85.94703	3.6
86.22462	3.0
91.05502	8.6
93.07038	13.1
95.08610	29.8
97.06534	27.9
105.07021	14.7
107.08608	17.0
109.10176	17.5
115.07568	73.4
119.08585	17.8
121.10149	16.1
123.11700	4.9
131.08554	8.7
132.70093	3.2
133.10152	13.3
135.11661	8.0
137.13257	9.1
145.10126	9.3
147.11662	10.3
149.09528	3.2
156.09241	3.3
157.10121	7.6
159.11684	11.7
161.09616	3.8
161.13281	7.9
171.11681	4.3
173.13284	7.4
174.16786	3.7
175.14795	6.8
185.13257	3.8
187.14845	8.2
189.16429	11.0
199.14688	4.1
201.16403	9.4
215.18034	4.6
295.24142	5.0
297.25620	8.8
369.22849	6.7
383.24088	4.2
421.34494	5.3
439.35675	7.9
497.32031	4.4
516.69843	4.5
539.36847	10.5
557.34943	100.0
557.52380	3.5
558.34357	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	557.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81508	1.9
55.05523	3.1
57.07088	9.3
61.04441	2.0
64.70989	1.7
65.53921	1.6
67.05509	9.8
69.07095	9.0
69.07720	15.5
69.63570	1.6
70.06615	2.1
71.04997	9.0
71.08614	2.2
79.05495	7.4
81.07062	11.9
83.08636	3.2
85.06534	2.4
85.18420	2.3
88.07649	2.5
89.06033	4.0
90.36792	1.7
91.05511	6.9
93.07053	13.2
95.08621	18.0
97.06516	1.8
102.09184	3.5
105.07064	11.6
107.08601	18.9
109.06527	2.1
109.10159	8.2
115.07563	1.9
119.08595	18.8
121.06532	10.1
121.10160	13.6
123.08062	6.0
123.11753	2.7
125.09639	1.9
127.11207	3.1
131.08580	4.6
133.08623	2.7
133.10120	11.3
135.08080	6.0
135.11681	4.6
145.10167	7.3
147.11679	13.9
149.13286	5.6
155.75267	1.9
157.10176	3.3
159.08096	2.9
159.11707	5.3
161.09596	3.1
161.13297	7.0
163.14760	3.5
171.11711	2.4
173.13309	7.1
175.14815	3.7
177.12796	4.0
185.13318	2.3
187.11247	2.6
187.14799	4.6
187.29535	1.8
189.16414	3.5
201.16356	2.7
205.16025	2.7
215.14485	2.2
217.15865	2.5
219.17778	2.0
229.16006	2.4
233.15393	2.6
242.76610	1.9
243.17519	3.0
256.26358	14.1
284.29578	5.9
319.22800	3.0
333.24289	2.5
363.39282	2.0
389.32516	2.1
410.01822	2.4
497.35721	4.7
539.37042	4.0
557.41571	100.0
558.42010	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05260	2.4
53.03953	3.0
54.27541	2.5
67.13114	2.8
69.20992	2.6
70.06590	24.4
70.69150	4.7
72.08154	8.0
79.05505	5.9
84.08133	5.2
85.02921	8.6
86.09705	13.1
91.05469	17.8
95.04976	3.9
103.05480	25.6
105.07066	13.2
107.04961	27.1
110.07190	3.0
115.05469	7.9
115.62469	2.7
119.04942	15.6
121.06538	10.3
122.03682	4.7
125.06065	2.6
126.20914	3.0
129.07004	5.8
130.34129	2.5
131.04927	37.0
131.08511	3.2
133.02805	6.4
133.06512	6.1
134.15518	2.8
135.08078	10.3
137.05975	100.0
137.07042	5.0
138.06337	5.4
145.06442	3.9
146.07280	5.6
147.04407	15.2
149.05986	21.6
151.07544	50.2
157.06477	6.4
161.05981	93.0
161.09579	21.8
162.06734	9.0
162.61250	2.4
163.07541	60.3
165.05594	3.8
165.09142	4.3
167.07094	4.8
167.08571	2.6
174.06836	5.3
175.07539	14.8
177.05492	12.0
178.06290	3.3
179.07059	5.2
181.08635	13.6
189.09120	59.5
190.09523	2.9
191.07077	7.7
193.08569	4.1
195.08067	7.4
207.10175	95.6
208.10423	2.9
219.10220	8.0
221.06030	5.1
223.07611	5.9
225.08994	3.5
227.10815	8.7
253.12305	4.4
255.10222	8.4
267.10101	4.4
280.10480	2.6
281.11786	5.7
285.11295	10.5
287.12802	38.6
297.11328	3.5
299.12744	4.6
311.12952	10.1
313.14288	29.4
331.15408	63.7
343.15454	7.6
544.35266	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01877	17.0
55.05514	6.8
57.03441	6.1
61.02914	3.1
67.05502	12.5
69.03431	19.6
69.07069	4.3
70.06580	10.8
71.05008	14.9
73.02923	3.3
79.05495	17.4
80.52224	3.2
81.03426	11.5
81.07076	18.1
82.06583	11.9
83.04947	4.8
84.08145	47.0
85.02920	29.7
86.09718	6.2
87.00840	6.2
88.51911	2.9
91.05476	25.4
93.07045	13.2
95.04958	18.5
95.08615	14.2
97.02893	9.1
97.06540	6.3
99.04484	5.8
103.05479	28.4
104.62309	3.0
105.07031	12.6
107.04969	20.2
107.08586	6.7
109.02881	6.0
109.06505	6.7
109.10153	9.9
111.00804	12.1
113.09658	3.2
115.03918	2.9
115.05466	7.3
117.06988	3.2
119.04930	11.7
119.08574	8.7
120.08058	3.2
121.06499	10.2
121.10164	7.0
122.03638	6.6
123.08106	5.1
126.09157	4.9
127.03925	13.4
128.07095	24.3
129.07010	3.5
131.04941	46.1
131.08571	4.2
133.02805	3.2
133.06534	5.2
133.10126	6.1
135.08061	9.0
137.05984	100.0
137.09583	6.4
138.06316	3.9
142.08659	3.5
145.04922	6.8
147.04427	13.7
147.11694	4.5
149.05952	8.5
151.07556	31.8
161.05986	51.3
161.09645	12.4
162.06703	6.2
163.07542	79.7
164.06970	3.0
165.09077	3.9
168.51013	3.1
171.02899	15.8
173.13200	5.1
174.06784	3.6
175.07558	16.3
177.05476	5.4
177.09106	21.7
179.07042	5.5
181.08644	8.7
183.10129	3.2
188.09218	4.4
189.09068	26.5
191.06975	3.9
191.14241	6.2
199.17082	4.2
201.09099	3.8
207.10175	44.6
219.10176	10.5
221.11734	7.3
223.07532	3.7
227.10638	6.1
231.37177	3.1
248.59695	2.9
255.10266	4.9
255.29538	3.7
265.08606	3.2
275.03955	4.4
281.11884	3.7
285.11066	3.8
287.09918	3.6
287.12720	20.6
311.12759	21.8
313.14255	17.7
331.15390	41.0
332.13358	11.2
343.15054	11.1
350.14444	7.2
401.07291	4.3
419.07587	5.4
441.13498	3.6
515.24524	9.7
558.21906	8.2
558.29462	11.4
559.23755	25.0
559.31110	7.0
569.72809	3.6
585.33636	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	9.6
55.05513	8.1
57.03431	9.8
61.23990	4.8
67.05502	15.3
68.89161	4.6
69.03415	26.4
69.07069	8.5
69.46230	26.6
70.06593	21.1
71.04991	16.4
79.05491	26.1
81.03421	14.7
81.07054	15.3
82.06587	12.2
83.01355	6.0
84.08134	6.8
85.02904	36.6
86.09682	9.4
91.05479	25.4
93.07035	13.3
95.04970	16.8
95.08615	16.4
97.02892	17.3
97.06511	11.4
99.04461	5.6
103.05412	10.8
105.07044	20.9
107.04943	24.3
107.08608	8.9
108.74493	5.4
109.02886	10.4
111.00816	6.8
115.05462	6.9
119.04957	18.5
119.08553	7.6
121.06503	12.6
121.10148	10.0
127.03895	16.9
128.06238	7.8
128.07097	36.7
129.06950	6.4
131.04942	18.1
133.02841	17.6
133.06503	22.1
133.10129	7.8
135.08092	11.5
137.05972	100.0
141.06989	5.3
145.04953	13.5
145.10103	5.5
147.04398	18.1
149.05957	19.0
149.09668	7.6
151.07576	26.5
152.07076	9.8
161.04688	9.7
161.05959	69.2
161.09615	14.7
163.07539	58.7
165.05486	7.5
167.07095	9.6
171.02837	7.7
175.07541	12.8
177.05438	5.6
179.07040	22.1
180.06570	10.9
181.07053	6.5
181.08601	9.3
189.09134	29.9
191.06955	6.2
191.14430	7.4
193.08691	5.3
203.06944	7.0
207.10165	65.7
229.08635	7.3
273.11166	5.5
275.04013	12.0
287.12665	7.5
291.12091	7.1
311.11475	6.8
313.14474	7.9
331.15363	26.3
332.13287	10.9
342.23596	13.4
343.15082	9.0
558.21814	18.7
558.29858	23.2
559.23090	14.9
559.30939	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62862	0.4
57.82412	0.3
60.18443	0.3
70.06586	1.7
72.08163	1.4
84.04497	0.7
84.08162	1.1
85.02914	0.5
86.09706	3.9
117.19908	0.4
118.03852	0.3
119.04959	0.4
129.10278	0.9
131.04929	0.4
145.85808	0.4
161.06044	0.4
167.07059	0.9
168.07399	0.4
185.04205	1.7
195.21037	0.4
271.17648	0.4
295.18613	0.4
296.05566	0.4
367.11655	0.8
379.11572	1.0
397.12512	2.2
515.24670	0.7
529.16882	7.6
530.17157	0.8
541.16821	16.5
542.17554	1.8
559.17834	100.0
560.18146	8.2
560.26373	0.5
584.10229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.9
55.05505	27.3
57.03408	11.1
67.05497	31.5
69.03424	43.8
69.07070	62.9
71.30761	10.1
74.27867	10.5
77.93410	9.5
79.05485	18.8
81.03400	28.2
81.07062	100.0
83.04957	16.1
83.08604	16.8
85.02899	73.6
85.06560	18.7
85.42979	9.9
87.00833	25.2
91.05479	17.0
93.07051	30.0
95.04973	13.3
95.08606	81.8
97.02885	28.0
97.06513	14.0
97.10155	18.3
99.08083	15.0
105.01857	38.2
105.07039	21.6
107.08585	24.3
107.36113	10.0
109.02897	21.7
109.06551	14.4
109.10161	47.1
110.50603	8.3
111.08062	12.6
111.11739	13.5
116.10742	11.9
119.08585	21.2
121.10164	22.4
123.11686	36.4
125.09608	11.2
127.03077	12.5
127.03846	47.0
131.08559	16.8
133.10149	20.9
135.11688	12.2
137.13280	13.2
143.08601	14.8
145.04936	22.1
145.10130	17.1
147.08098	11.0
147.11699	21.6
149.13292	12.0
155.08629	10.2
157.10132	12.6
159.11743	13.1
163.58087	9.9
187.14720	14.9
214.17958	22.1
217.12128	16.4
293.28308	22.0
355.28024	8.9
444.55911	9.3
462.27054	13.4
559.18872	11.2
559.27191	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	559.397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.2
63.73501	0.8
67.05507	3.2
67.72144	0.7
69.07070	2.3
70.47509	1.4
79.05516	0.9
81.07062	5.9
91.05478	1.0
93.07054	1.2
95.08621	4.9
95.30671	0.6
98.23334	0.7
105.07055	0.9
107.08580	1.7
109.10174	1.0
119.08659	1.0
119.30977	0.8
123.11697	0.8
208.31000	0.7
223.13033	7.1
273.53635	0.8
279.15747	5.1
337.27374	1.5
496.81656	0.9
559.39685	100.0
560.40021	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	560.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47453	0.3
54.53199	0.4
55.01855	1.4
55.05481	0.3
55.95798	0.3
56.63376	0.3
57.03424	1.8
59.04966	0.3
61.02906	1.4
61.66534	0.4
67.05482	1.0
68.05005	0.4
69.03087	0.4
69.03432	5.4
69.07017	0.5
70.45886	0.9
71.01332	0.7
71.04974	0.5
73.02893	1.6
81.03406	1.6
85.02428	0.4
85.02908	6.4
86.09674	0.7
87.04453	1.3
91.03949	0.5
93.07036	0.4
94.15891	0.4
97.02891	3.3
99.04402	0.9
99.32794	0.4
102.89880	0.4
107.18675	0.4
109.02866	0.9
109.05088	0.4
111.88718	0.4
121.10139	0.5
127.03925	1.4
134.04622	6.5
145.04919	0.4
151.77179	0.3
152.05670	1.5
157.12207	0.7
158.07095	0.5
165.02310	6.5
167.02597	1.2
167.03941	0.6
175.09789	0.9
181.04041	0.5
181.05440	0.9
182.04959	100.0
183.05365	1.8
183.06689	0.8
184.07373	0.5
185.08107	0.5
190.03055	0.7
194.04924	3.6
200.09261	1.9
201.10014	0.5
205.05415	4.1
216.04691	2.9
218.04955	0.5
219.07025	1.4
221.08594	0.8
224.06030	1.2
231.06981	12.1
232.07187	1.0
248.09656	27.9
249.09830	1.3
266.10699	59.9
267.10950	2.4
314.09128	1.1
331.90503	0.4
349.56497	0.4
380.13861	1.0
398.10135	0.6
398.14972	9.0
399.15201	0.6
428.15991	45.9
429.16348	2.8
432.51938	0.4
468.65616	0.4
560.20184	25.7
561.19775	2.4
576.69360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01867	0.5
55.05268	0.4
55.05515	4.5
57.03447	0.3
57.07079	18.1
62.77520	0.2
65.03931	0.4
69.03435	1.3
70.57597	0.4
71.05005	0.3
73.06555	0.8
73.80869	0.2
81.03433	1.4
81.34272	0.2
81.58379	0.2
85.02913	2.5
87.00832	1.4
91.05494	0.2
93.03407	0.2
97.02886	1.5
99.04504	0.3
100.26811	0.2
105.01898	0.4
109.02911	1.1
121.02881	2.6
121.03762	0.3
123.98229	0.3
127.03914	1.4
129.06992	0.4
131.08574	0.4
143.04892	0.3
145.04922	0.5
149.02347	100.0
150.02676	2.5
159.02910	0.6
161.05957	1.4
167.03397	1.1
175.07561	3.7
185.05989	0.3
203.07036	7.0
205.08600	7.6
221.08072	1.5
221.63890	0.3
223.09705	0.5
228.95882	0.3
231.05014	0.5
277.14352	35.5
278.14697	1.7
295.15445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01887	0.3
55.05272	0.2
55.05518	2.1
57.03433	0.3
57.07078	2.4
59.69448	0.2
65.03929	0.8
69.03434	1.3
69.03780	0.2
69.07073	0.2
69.22653	1.2
71.04993	0.2
73.02905	0.3
73.06566	1.9
81.03425	1.3
81.07076	0.3
85.02912	2.8
87.00832	1.1
91.05463	0.2
93.03395	0.4
95.08606	0.2
97.02930	1.1
99.04452	0.6
105.01890	0.5
105.06997	0.3
107.08618	0.2
109.02882	1.1
109.10190	0.2
117.01881	0.2
121.02090	0.3
121.02888	2.8
121.03876	0.3
127.03918	1.6
131.08595	0.2
133.10187	0.3
145.04958	0.5
149.02353	100.0
150.02704	2.5
159.02962	0.4
167.03427	1.6
185.13092	0.2
190.05034	0.6
203.07097	0.4
205.08620	15.9
206.09003	0.5
221.08127	1.0
223.09714	0.4
231.05106	0.2
244.84796	0.1
277.14368	11.4
278.14685	0.6
295.15387	0.8
456.08710	0.2
507.39200	0.2
518.60217	0.2
560.32196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.02292	0.3
55.05503	1.0
56.29918	0.3
57.03416	0.3
57.07079	21.9
58.07408	0.3
58.30678	0.3
61.02915	0.5
65.03936	0.8
69.03433	1.6
69.81709	1.2
71.04534	0.2
71.04996	0.6
73.02894	0.3
73.06540	0.8
81.03427	1.7
85.02909	3.4
87.00829	1.8
90.64085	0.2
91.07609	0.6
92.07014	0.3
97.02887	1.7
99.04431	0.7
105.01868	0.9
105.80691	0.2
109.02871	1.1
121.02872	2.7
121.03771	0.3
121.04030	0.3
127.03927	2.1
145.04929	0.9
149.02348	100.0
150.02690	2.3
159.02879	0.6
161.81548	0.3
167.03419	1.1
182.77647	0.3
205.08614	11.8
206.08885	0.3
221.08098	2.2
222.08467	0.3
231.05043	0.6
231.11690	0.5
246.00758	0.3
277.14352	12.1
278.14728	0.6
295.15384	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01879	0.4
55.05513	2.3
57.07079	2.2
61.02908	0.2
65.03942	0.8
69.03430	1.2
69.92527	1.0
70.06595	0.3
73.02875	0.3
73.06561	5.0
81.03417	1.5
81.07049	0.6
85.02905	2.8
86.09702	0.7
87.00837	1.1
88.11399	0.2
91.05467	0.4
95.08614	0.5
97.02889	1.5
98.22727	0.3
99.04489	0.3
104.10742	1.1
105.01869	0.7
105.07026	0.5
107.91962	0.2
108.84504	0.2
109.02882	1.1
109.10150	0.5
111.04472	0.3
119.08617	0.4
121.02869	2.5
121.03770	0.3
121.03981	0.3
121.10153	0.3
125.00019	0.3
127.03912	1.8
133.10101	0.3
139.07375	0.2
143.08522	0.3
145.04953	0.4
145.10159	0.4
149.02347	100.0
150.02657	1.7
159.02896	0.9
167.03409	1.4
178.70625	0.3
184.07346	0.9
190.04967	0.7
205.08611	12.2
206.08896	0.6
221.08142	2.4
231.04962	0.4
277.14352	23.8
278.14774	0.7
295.15369	0.6
560.33423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96529	0.4
67.05522	0.4
67.66576	0.4
69.03432	0.7
69.49710	1.9
70.06593	4.2
72.08154	1.2
78.04700	1.6
79.05502	0.8
84.04486	0.7
84.08146	2.6
84.68263	0.4
85.02895	1.9
85.08507	0.4
86.09703	1.7
91.05476	0.8
93.07082	0.5
95.05012	0.6
97.02874	0.5
98.02456	0.4
98.23315	0.8
101.07158	0.4
103.05447	0.7
105.07026	0.5
106.04122	0.6
107.04965	0.8
109.02914	0.4
110.07170	0.8
116.07090	0.5
119.04945	0.6
121.06487	1.0
123.04434	5.5
124.05222	1.2
125.14686	0.3
127.03907	0.6
129.10252	1.9
131.04930	2.2
133.06453	0.7
136.07607	0.4
137.05977	1.3
145.04942	0.7
147.04382	0.7
149.05930	0.4
151.03946	0.9
152.04671	1.4
153.05415	0.6
161.06023	0.7
163.03876	0.4
163.07527	0.7
167.07042	100.0
168.07428	2.8
173.06058	0.4
180.08778	0.5
181.06403	0.7
181.08589	1.3
183.06476	0.4
191.07040	2.5
195.07982	0.6
198.06938	0.4
213.09106	0.9
241.08600	0.6
243.06401	0.4
253.08606	0.5
273.11035	0.6
283.09732	0.4
285.11197	0.5
301.10806	1.8
313.10678	2.7
314.11209	0.7
318.11020	0.6
330.19180	1.1
333.13306	4.4
334.13641	0.4
345.13339	12.2
346.13733	0.4
363.14371	1.0
560.33716	0.8
561.15668	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52079	2.0
53.03948	5.0
55.01878	4.0
55.05501	1.8
57.03438	4.2
65.03946	3.1
67.05507	8.3
69.03436	7.9
70.06597	9.3
71.05007	4.0
72.08172	3.9
73.02922	9.1
78.04716	2.1
79.05491	3.6
81.03413	12.3
81.07090	2.7
83.04972	3.7
84.04516	3.6
84.08150	4.3
85.02896	24.1
85.24317	2.0
86.09723	9.3
91.05492	7.8
93.07015	2.8
95.04966	25.1
95.08675	2.4
97.02912	8.4
97.06537	19.9
105.07062	2.1
107.04948	4.7
109.02905	4.5
115.03935	3.4
119.04961	9.2
121.02921	4.2
121.06480	2.5
123.04440	20.2
125.05978	6.3
127.03930	9.3
127.07559	100.0
129.10164	2.7
131.04932	3.5
133.04974	4.9
135.04449	4.2
137.06000	8.2
139.03986	2.1
140.04720	4.1
145.05008	10.1
147.04398	15.7
149.05942	4.4
151.03928	5.7
151.07574	8.0
155.07030	28.1
155.08174	2.6
161.06018	4.1
162.06781	2.2
163.03897	2.7
163.06032	4.5
163.07475	2.2
167.07048	78.5
175.03868	2.1
178.83539	1.8
179.07106	8.6
183.06531	94.4
201.11235	3.5
219.02844	2.7
229.05008	2.5
231.02885	5.5
240.27394	2.1
255.10202	3.4
273.03992	3.7
285.03976	6.1
287.12799	5.1
297.03952	3.7
299.05585	2.5
313.10645	4.7
315.12418	3.3
327.04959	3.6
345.13306	3.5
363.07138	6.7
375.06808	2.3
393.08218	2.7
405.08325	2.8
429.11575	3.2
441.10254	3.7
483.12872	3.5
561.25098	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	560.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.6
57.03440	15.2
60.21233	1.1
61.02932	10.2
68.07057	1.2
69.03435	34.1
69.07069	7.9
70.47791	3.7
71.01363	4.0
71.05001	2.9
73.02925	35.1
74.76862	1.2
76.87701	1.1
81.03430	7.3
84.63603	1.1
85.02910	100.0
86.03233	2.0
86.09726	2.5
87.04463	5.3
91.03970	5.2
95.38961	1.2
96.59375	1.3
97.02901	55.4
99.04476	4.2
103.03967	3.5
109.02866	8.3
115.03941	23.6
127.03923	31.8
133.04979	42.2
145.04967	48.7
146.05226	1.5
151.80434	1.6
163.06032	39.0
165.19684	1.4
167.97473	1.2
183.10228	2.2
193.04990	1.2
199.06050	2.3
201.11244	2.9
209.74155	1.3
217.07159	4.2
223.06039	5.0
241.07054	8.4
259.08179	17.2
277.09201	5.0
280.17584	1.2
295.10272	21.1
325.11240	5.8
561.18835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44709	0.9
50.57863	0.9
51.99907	0.9
53.03954	1.8
55.01867	5.9
57.03439	15.3
59.05006	1.5
61.02929	11.7
61.80747	0.9
67.98600	1.0
69.03433	27.8
69.07061	2.8
70.06589	6.2
71.01366	2.0
71.04997	3.3
72.08160	3.6
73.02921	37.0
79.05486	1.2
81.03419	8.1
81.07061	2.6
84.04493	1.3
84.08164	2.6
85.02908	100.0
86.03242	1.3
86.09707	4.5
87.04486	5.8
91.03974	4.3
91.05492	1.3
93.07059	1.6
95.04974	1.1
97.02894	52.9
97.06559	1.2
98.03275	0.9
99.04469	5.5
99.05047	1.0
102.05585	1.2
103.03941	2.7
103.05475	7.7
105.07039	1.1
106.01902	0.9
109.02892	9.1
109.20698	0.9
110.07178	1.9
111.08099	2.1
112.70353	1.0
115.03931	21.6
119.08556	1.1
121.06517	1.9
127.02949	1.5
127.03181	0.7
127.03921	34.2
129.10251	2.4
131.04936	14.7
133.04976	35.1
137.05957	1.6
137.09627	1.3
145.04962	63.1
148.05147	1.8
149.06012	1.2
153.09076	2.2
163.06053	34.3
163.07527	5.6
164.06351	1.1
165.09175	2.5
167.07059	1.1
169.04985	1.8
177.05568	1.6
180.08760	1.1
181.04977	1.5
181.08630	1.3
183.10226	3.0
193.04932	1.4
195.10202	2.6
199.06004	1.4
201.11244	3.1
213.11177	2.7
217.07066	2.3
219.12318	2.6
223.05881	4.4
231.12198	1.0
241.07111	7.1
249.13385	1.3
259.08139	17.6
277.09195	4.1
290.57016	1.0
295.10254	11.0
325.11304	6.3
330.19415	1.3
382.97781	1.1
383.20535	0.9
409.46002	1.0
560.18683	2.2
561.19580	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	560.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04694	1.3
53.00305	1.4
53.03945	3.5
55.01868	3.9
57.03432	6.0
61.02929	7.0
65.03945	11.6
67.05500	5.2
69.03088	2.1
69.03431	22.4
69.17127	8.6
70.06596	1.7
71.04993	23.8
71.36893	1.2
73.02924	3.0
79.05490	10.2
79.85504	1.2
81.03411	7.9
81.07052	2.7
85.02905	100.0
87.04459	3.3
87.45633	1.2
91.03928	6.5
91.05480	19.0
93.03404	74.4
93.07044	4.9
93.41068	1.3
95.04951	3.4
97.02892	25.8
99.04455	4.2
99.80631	1.3
103.05474	2.8
105.07034	7.8
107.04915	2.2
107.08599	4.3
109.02881	7.8
109.06535	1.9
115.05455	5.3
117.07052	9.3
121.06521	5.8
127.03918	22.4
128.06215	6.0
129.07002	10.0
130.07782	2.0
131.08574	12.2
133.10115	2.1
135.08032	6.5
139.82794	1.3
141.07008	5.1
142.07765	5.1
143.08539	4.2
145.04959	47.4
145.06416	2.7
145.10101	4.0
147.08115	2.2
153.06952	6.9
155.08546	6.1
157.10118	2.7
159.08066	2.9
159.11823	1.6
163.06010	19.6
167.08661	2.1
168.09363	3.5
173.09631	4.9
173.13138	2.5
201.12729	33.2
287.05511	2.1
325.11160	2.9
347.15973	1.4
476.66489	1.5
484.92163	1.5
516.28400	1.5
560.27795	2.9
562.69196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	2.5
53.03939	3.4
55.01874	4.7
57.03439	4.3
57.27989	1.7
61.02922	9.5
65.03938	13.7
67.05515	3.3
67.87500	1.2
69.03433	23.3
71.04993	21.1
71.16569	2.0
71.16913	1.5
73.02918	3.5
79.05492	10.2
81.03416	7.2
81.79181	1.3
85.02906	100.0
87.04485	2.8
91.03963	5.7
91.05484	17.4
93.03405	69.2
93.07062	3.6
95.04958	3.3
97.02892	23.5
99.04440	3.5
103.05510	1.6
105.07009	8.9
106.96718	1.4
107.04949	2.0
107.08612	3.1
107.99740	1.3
109.02878	9.4
115.05457	5.5
117.06998	6.2
119.08617	3.5
121.06531	4.4
127.03915	22.5
128.06259	5.4
129.07014	8.4
130.07776	2.2
131.08562	12.7
135.08075	4.9
141.07016	5.2
142.07796	6.0
143.08582	4.2
145.04959	47.3
145.06422	3.2
145.10133	5.0
153.06975	4.9
155.08559	9.2
157.10089	4.3
159.08070	4.1
159.23260	1.5
163.06027	26.7
168.09262	2.6
171.11719	1.7
173.09636	3.0
173.13257	2.2
201.12753	28.5
213.34625	1.3
223.50565	1.4
325.11459	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	560.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.6
53.03957	3.6
55.01868	4.7
55.05505	3.1
57.03441	2.0
61.02940	3.1
65.03939	16.6
67.05514	5.1
69.03437	13.3
69.07040	1.3
71.04994	32.5
71.31322	1.2
77.96561	1.1
79.05497	14.5
81.03412	4.7
81.07078	3.0
83.04970	1.7
85.02907	30.3
91.03963	1.1
91.04905	1.5
91.05480	29.4
93.03407	100.0
93.07060	6.4
94.03735	1.6
95.04960	5.3
95.08620	1.4
97.02901	8.5
99.04476	2.5
103.05459	2.7
105.07039	9.5
107.04980	4.9
107.08599	6.4
109.02904	2.4
109.06554	2.6
115.05468	10.0
116.06254	5.3
117.07016	13.3
119.08591	4.8
121.06508	7.0
127.03927	7.7
128.06232	8.4
129.07005	18.0
130.07797	1.6
131.04948	2.9
131.08568	23.3
131.09509	2.0
133.06502	1.6
135.08022	8.0
139.35408	1.2
141.07005	9.6
142.07793	7.7
143.08601	5.1
144.05751	1.3
145.04982	14.2
145.06480	4.6
145.10124	7.2
153.06979	8.6
154.07797	2.9
155.06050	1.4
155.08534	11.2
157.10159	4.8
159.08101	6.0
159.11723	1.1
160.08817	1.4
160.42154	1.1
160.74158	0.9
163.06032	7.2
167.08499	1.3
168.09352	3.7
169.09956	1.4
173.09665	8.9
173.13330	4.0
183.11679	1.6
185.09563	1.5
186.10390	1.4
201.12747	44.2
202.13080	2.3
280.10583	1.2
325.11673	1.3
363.18442	1.2
382.68451	1.1
432.26273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04694	1.3
53.00305	1.4
53.03945	3.5
55.01868	3.9
57.03432	6.0
61.02929	7.0
65.03945	11.6
67.05500	5.2
69.03088	2.1
69.03431	22.4
69.17127	8.6
70.06596	1.7
71.04993	23.8
71.36893	1.2
73.02924	3.0
79.05490	10.2
79.85504	1.2
81.03411	7.9
81.07052	2.7
85.02905	100.0
87.04459	3.3
87.45633	1.2
91.03928	6.5
91.05480	19.0
93.03404	74.4
93.07044	4.9
93.41068	1.3
95.04951	3.4
97.02892	25.8
99.04455	4.2
99.80631	1.3
103.05474	2.8
105.07034	7.8
107.04915	2.2
107.08599	4.3
109.02881	7.8
109.06535	1.9
115.05455	5.3
117.07052	9.3
121.06521	5.8
127.03918	22.4
128.06215	6.0
129.07002	10.0
130.07782	2.0
131.08574	12.2
133.10115	2.1
135.08032	6.5
139.82794	1.3
141.07008	5.1
142.07765	5.1
143.08539	4.2
145.04959	47.4
145.06416	2.7
145.10101	4.0
147.08115	2.2
153.06952	6.9
155.08546	6.1
157.10118	2.7
159.08066	2.9
159.11823	1.6
163.06010	19.6
167.08661	2.1
168.09363	3.5
173.09631	4.9
173.13138	2.5
201.12729	33.2
287.05511	2.1
325.11160	2.9
347.15973	1.4
476.66489	1.5
484.92163	1.5
516.28400	1.5
560.27795	2.9
562.69196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.00312	2.5
53.03952	2.9
55.01876	5.1
55.05524	2.4
57.03419	1.9
61.02929	2.5
65.03948	21.0
67.05512	6.7
69.03138	1.3
69.03443	14.6
69.10741	1.1
71.04999	35.3
71.31495	1.4
72.09708	1.4
73.02896	1.1
79.05501	17.3
81.03426	5.6
81.07050	4.9
83.04999	2.2
85.02424	2.6
85.02911	35.4
85.06637	1.2
91.05486	26.3
93.03413	100.0
93.07072	6.4
94.03754	1.6
95.04985	8.2
95.08603	3.0
97.02905	9.8
99.04455	2.2
103.05441	2.5
105.07050	12.8
107.04961	5.0
107.08598	7.4
109.02894	4.7
111.08055	2.7
113.39464	1.3
115.05476	9.6
116.06249	2.8
117.07032	12.8
119.08582	3.8
120.08048	1.4
121.06512	7.6
127.03926	10.2
128.06226	9.5
129.07030	13.5
130.07823	2.5
131.04913	3.6
131.08568	19.1
133.06544	1.5
133.10167	2.0
133.52646	1.3
135.08087	9.9
136.89148	1.1
137.06013	2.8
141.06998	7.6
142.07805	7.6
143.08611	6.6
144.05690	2.2
145.04968	17.9
145.06491	4.2
145.10139	7.3
147.11667	1.7
153.07001	6.4
154.07762	1.6
155.08571	11.4
157.10143	6.4
159.08029	5.1
163.06032	7.4
163.07315	1.7
166.07869	1.2
167.08568	2.6
168.09346	4.7
173.09608	5.4
173.13313	3.1
187.47070	1.2
194.49161	1.1
201.05345	1.3
201.12755	49.9
202.13118	1.5
264.07373	1.3
287.05505	15.5
335.54694	1.3
337.07013	2.5
344.98257	1.4
518.04584	1.4
560.31146	2.6
561.19342	1.8
582.71283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.05033	4.5
56.69063	0.3
57.07080	4.3
62.00686	0.5
67.05511	2.3
68.05051	0.4
69.03413	0.4
69.07079	1.5
69.10356	2.3
69.10774	0.8
71.08639	2.8
72.04562	0.4
74.00684	1.6
79.05497	0.5
80.05005	0.5
81.07059	3.0
83.04995	0.4
83.06113	1.3
83.08638	0.6
84.04504	74.5
85.02893	0.6
85.04053	1.0
85.04841	0.8
85.05299	0.4
85.06548	0.5
85.10189	1.1
87.04479	0.6
90.05590	0.8
91.05468	0.8
93.04542	0.7
93.07044	1.2
94.02894	0.4
95.06094	0.8
95.08615	4.3
96.04511	1.4
97.10167	0.8
98.06041	0.8
98.22620	0.8
99.65878	0.3
101.01789	0.4
104.10734	0.4
105.07040	1.5
107.01687	0.5
107.06081	3.0
107.08605	1.5
108.04476	1.1
109.06549	0.5
109.07626	1.8
109.10156	2.9
110.04755	0.4
110.06052	0.5
111.08224	0.3
113.03459	0.7
116.07104	7.7
119.08579	1.7
120.01183	0.6
121.10154	1.9
123.08119	0.5
123.11718	1.5
128.01668	0.9
128.07097	0.5
129.01212	0.5
129.99545	0.7
133.10187	1.6
135.05545	2.8
135.08110	0.4
135.11710	1.1
136.03972	2.1
137.01730	0.5
138.00134	0.6
139.03259	1.2
140.01653	0.8
143.08131	3.0
144.06557	100.0
145.06065	1.0
145.06941	1.5
145.10158	1.4
147.11696	1.0
149.03438	0.8
149.09706	0.5
149.13258	0.6
153.06564	1.1
154.05017	2.3
155.08189	1.3
156.06534	0.5
157.00705	0.7
157.10150	0.4
159.11699	0.9
161.03778	0.7
161.09679	0.4
161.13292	0.7
163.14812	0.4
165.01186	1.5
165.99609	1.0
167.02795	0.6
167.08125	5.0
169.09706	4.0
173.13210	0.6
175.01758	0.5
175.11259	0.4
181.06099	0.4
183.07706	1.4
183.63135	0.3
184.00652	1.5
185.09323	0.5
185.13280	0.4
187.11221	0.4
187.14825	0.6
189.03311	1.5
189.16415	0.4
190.01691	1.0
191.17877	0.5
195.02336	0.9
195.07648	13.4
196.08398	0.5
197.09242	1.6
199.05382	2.4
199.14857	0.5
201.12833	0.4
207.04349	3.9
207.09998	0.4
209.05627	0.6
211.07082	0.7
211.20590	0.8
212.04793	0.3
213.03246	0.4
213.08720	2.5
223.01511	0.5
225.03276	1.4
227.04692	0.7
227.06633	2.5
228.23277	0.4
229.06190	0.4
233.15355	0.4
241.02740	0.4
243.04384	2.5
255.04344	1.1
258.27429	0.4
261.05423	1.2
266.11429	0.5
272.06909	0.7
272.12485	0.6
273.05405	8.5
274.05884	0.4
280.22720	1.7
284.12415	4.2
288.10132	1.8
298.10223	0.7
300.06366	0.5
314.08023	1.3
318.07614	1.7
332.09091	10.9
333.07495	0.6
350.10193	9.3
354.26376	0.6
423.28452	0.6
437.30545	0.7
465.29752	0.9
483.31107	0.9
494.32007	0.6
525.31543	0.5
543.33209	0.4
560.30450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.05508	11.4
57.03432	4.7
57.07079	12.0
57.47552	3.8
60.17390	3.7
60.34600	3.4
61.02916	3.6
65.03940	3.7
67.05515	23.3
69.03442	22.6
69.07074	5.9
77.64185	3.6
81.03422	17.6
81.07058	13.3
81.83600	3.6
85.02915	23.4
85.06547	89.7
86.98985	3.7
87.00802	5.1
87.04487	4.4
90.59290	3.8
91.05466	7.1
93.07037	8.0
95.04974	5.0
95.08613	13.8
97.02911	10.8
99.04427	6.1
99.08100	83.8
105.07032	9.8
105.56617	4.4
107.08619	8.4
109.02888	12.1
109.06494	4.2
109.10173	7.6
111.04441	4.4
119.08605	13.8
121.10169	17.4
123.62328	4.0
125.09621	8.9
127.03909	13.9
133.10165	10.4
139.11086	3.8
145.04994	5.1
145.10191	4.5
146.77699	4.2
147.11703	11.8
157.10089	4.6
159.11732	5.1
165.12755	6.5
175.14697	5.2
179.14217	6.3
185.13145	5.9
201.16487	9.6
206.80910	3.7
219.08025	8.2
229.35011	6.3
241.19585	5.2
259.20599	100.0
269.38803	4.3
277.21710	8.2
362.10260	4.1
376.17520	3.9
486.20462	4.3
498.75012	5.0
525.26984	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	11.3
57.03442	7.5
57.07076	8.1
67.05524	30.0
69.03419	21.8
69.07081	10.5
70.56388	13.7
79.05492	12.4
81.03437	11.2
81.07064	19.8
83.04981	11.0
84.57370	5.7
84.93893	5.8
85.02918	38.1
85.04285	5.5
85.06553	100.0
87.00784	8.2
91.05465	9.6
93.07040	11.9
95.04972	6.9
95.08627	23.1
97.02912	20.7
99.04476	5.6
99.08101	72.6
105.07041	19.5
107.08601	11.1
109.02882	17.6
109.06552	10.8
111.04456	5.7
116.10732	12.3
117.37251	5.8
119.08575	27.6
121.10172	15.7
125.09631	6.0
127.03946	26.3
133.10133	13.9
145.04991	16.1
145.10129	11.8
147.11723	9.8
149.02409	6.1
157.10201	10.5
159.11737	6.8
165.12740	7.2
179.14253	8.2
185.13217	10.0
187.15007	9.5
194.44530	6.0
199.11388	7.9
219.08188	14.2
259.20609	94.8
260.21008	9.1
287.05640	10.6
310.06577	6.4
462.26880	9.8
502.85812	6.4
507.84702	6.8
525.26923	28.9
561.27960	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	560.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.7
56.41038	6.0
57.03429	8.1
60.04522	11.5
63.16463	5.9
67.05506	31.8
69.03416	22.1
69.07058	15.0
71.05001	13.9
79.05492	20.7
81.03417	17.9
81.07066	32.4
83.08595	8.2
85.02898	44.9
85.06547	97.1
85.89171	6.9
91.05482	16.3
93.07050	21.9
95.08605	21.7
97.02862	8.3
99.04446	7.1
99.08098	79.0
105.07021	21.7
107.08588	16.4
109.02876	12.5
109.10149	8.1
111.08058	12.9
111.94858	8.5
116.10702	14.2
117.06995	11.0
119.08569	24.6
121.10152	18.8
125.09633	13.5
127.03941	21.3
131.08609	7.7
132.08002	6.4
133.10126	10.2
135.11705	11.8
145.04968	13.7
145.10097	7.3
145.58853	6.3
147.11708	20.6
149.02327	12.1
155.08618	7.4
165.12860	8.6
175.14867	7.1
185.13300	9.5
216.43146	7.1
219.08006	13.9
229.24426	6.9
259.20584	100.0
277.21313	9.0
291.74301	8.0
525.26794	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	22.6
57.16513	9.7
57.99091	8.6
67.05517	82.9
69.07064	34.9
69.08194	12.2
69.80960	35.4
79.05502	35.6
81.07061	85.6
83.05003	14.4
83.08644	15.5
91.05487	40.0
93.07056	72.3
95.08602	77.8
97.06550	11.3
97.10149	11.4
98.22701	10.3
104.10744	21.7
105.07053	38.5
106.81118	9.9
107.08586	77.3
109.06519	24.3
109.10164	100.0
111.08100	9.7
117.07001	11.0
119.08570	60.3
121.06522	23.2
121.10160	81.7
121.49144	9.6
123.08063	10.7
123.11715	46.5
129.07068	10.8
131.08569	24.3
133.10149	44.6
135.08063	13.9
135.11697	44.7
137.09598	17.9
137.13309	10.8
143.08640	14.4
144.43930	9.4
145.10161	43.3
147.11682	41.3
149.09595	11.3
149.13260	32.7
157.10072	16.7
159.07945	10.8
159.11745	33.1
160.12099	8.7
161.09662	12.6
161.13254	17.4
162.07881	9.6
163.14771	16.2
169.10031	10.6
171.11740	16.5
173.09666	13.7
173.13246	35.2
175.11250	13.3
181.48837	10.4
185.39198	9.6
187.11169	17.0
187.14838	19.1
189.12738	17.8
189.16356	13.4
199.14764	11.1
201.12733	12.5
201.16309	9.8
205.15965	12.4
205.19490	9.7
217.16000	10.2
226.57301	10.4
229.14262	11.3
231.13789	10.5
233.15314	13.9
243.21143	22.2
247.16980	14.7
261.22119	64.7
264.06531	10.4
353.26752	18.3
371.24271	11.5
383.24387	11.8
437.30640	16.6
447.28760	17.5
465.30200	46.6
483.30890	33.9
525.32288	19.2
542.31567	13.8
543.32843	13.0
560.32660	14.8
560.45770	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	560.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	15.8
67.05493	64.5
69.07061	17.8
71.31876	15.6
79.05489	29.6
81.07063	64.6
86.09672	14.7
91.05470	17.8
93.07027	36.6
95.08607	46.5
101.49017	13.5
107.08569	30.0
109.10163	47.5
121.10129	31.2
123.11742	24.0
131.08525	24.7
135.11650	35.7
173.13193	25.9
180.73029	15.6
190.50780	14.0
243.21193	34.3
261.22116	100.0
335.25769	48.7
353.26941	27.8
372.49799	17.3
473.19638	19.4
494.00406	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	21.1
60.04526	44.3
67.05520	30.4
69.07076	25.5
70.81366	25.5
70.81702	51.4
75.85297	22.7
79.05476	22.7
81.07055	42.8
89.93313	22.6
95.08591	58.0
103.95020	22.3
105.84690	23.5
107.08601	40.7
109.06501	21.1
109.10159	40.0
111.08134	21.6
119.08602	25.4
121.10175	32.2
122.00660	21.8
131.46582	21.3
167.13362	28.6
331.76810	25.3
402.39124	30.0
435.83661	20.7
445.62720	20.2
446.21103	23.3
542.43707	40.3
545.67548	23.4
560.42816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
53.20455	0.7
55.01878	5.6
55.48325	0.7
57.03442	12.3
59.04990	1.4
61.02927	11.6
67.05509	0.8
67.06428	0.6
69.03433	27.3
69.10228	6.7
69.10507	0.6
71.01368	1.8
71.04994	3.1
73.02502	1.6
73.02920	32.7
81.03430	6.9
82.27291	0.6
85.02909	100.0
86.03244	1.8
87.04475	4.3
91.03951	4.9
95.04972	1.6
97.02897	51.8
99.04456	4.8
101.02367	0.6
103.03950	2.7
105.99768	0.8
109.02883	7.6
115.03937	18.6
127.03926	30.9
128.04303	1.0
132.06593	0.9
133.04976	32.7
143.03342	1.1
145.04967	52.1
151.18175	0.7
163.06023	36.6
164.06418	0.8
177.05589	2.2
180.57961	1.0
193.04990	1.2
199.06079	1.8
211.05975	0.8
217.07097	2.7
223.06021	4.9
241.07082	5.8
251.14946	2.8
259.08118	13.2
277.09216	3.0
289.09219	1.1
295.10281	10.3
299.33963	0.7
303.61768	0.7
325.11270	4.8
521.40845	0.8
562.19550	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	562.374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14570	0.6
55.05522	1.9
57.07077	1.6
57.30753	0.7
58.49710	0.6
62.87241	0.7
64.55418	0.6
67.05511	3.4
69.07081	3.7
69.40091	4.2
69.71178	0.6
76.20355	0.7
77.81097	0.6
79.05492	3.6
80.70974	0.6
81.07065	9.8
83.05000	1.7
83.08615	2.1
84.04502	1.2
84.94421	0.8
91.05467	3.7
93.07041	10.7
95.04971	1.1
95.08606	13.0
97.06518	0.7
97.10198	1.5
97.24145	0.7
98.23318	1.3
99.08102	1.5
105.07043	6.6
107.08598	17.8
109.06511	3.0
109.10169	7.6
111.08078	0.9
119.08586	13.1
121.06485	2.3
121.10141	14.5
123.08015	3.7
123.11700	10.4
125.06010	3.8
125.09625	1.0
129.07021	1.3
131.08585	4.3
133.06471	1.1
133.10136	10.8
135.08038	1.5
135.11697	5.8
137.06035	1.9
137.09627	0.9
139.07544	4.2
139.11101	0.8
143.08569	3.0
144.06548	2.1
145.10121	12.9
147.08063	1.7
147.11676	3.7
149.06104	0.9
149.09596	0.9
149.13261	19.3
157.10120	4.7
159.08072	2.7
159.11699	10.4
160.12106	0.7
161.09595	3.2
161.13258	2.5
163.07549	1.4
163.11131	0.8
163.14824	1.8
165.09073	0.9
167.32411	0.6
170.10904	1.6
171.07970	0.9
171.11714	2.9
173.09644	1.5
173.13232	6.6
175.07587	1.4
175.11172	1.7
175.14789	5.6
177.16391	2.0
183.11728	1.8
185.09689	1.4
185.13292	9.4
186.13533	0.9
187.11165	2.4
187.14833	5.1
189.09117	2.0
189.12744	3.1
189.16399	3.1
191.14333	0.8
191.17944	16.5
195.11650	1.5
197.13312	0.9
199.14836	1.2
201.12749	11.7
201.16333	1.0
203.10689	0.8
203.14320	19.3
203.18062	0.9
204.14664	1.5
205.12276	0.9
213.12720	6.9
215.14333	2.3
215.17854	1.1
217.12247	1.9
217.15860	1.1
219.13808	13.2
220.14195	1.1
229.15894	1.1
229.19467	0.8
231.13803	36.1
231.17467	1.6
232.14114	1.5
233.15350	2.4
241.15854	0.9
245.15289	0.8
249.14870	100.0
250.15150	5.2
251.16548	1.5
257.18982	2.3
259.16925	2.2
259.20401	0.8
269.18756	0.8
277.17990	2.0
285.18405	2.1
291.19556	2.3
303.19534	3.1
315.19592	1.0
317.21152	2.3
329.21109	1.3
343.22690	1.1
395.74066	0.8
421.31033	1.3
437.30051	0.9
439.32086	44.6
440.32599	5.0
449.30502	0.9
467.31580	5.2
485.32074	1.2
499.34100	6.5
527.33673	67.6
528.34076	8.6
548.44684	0.7
562.36920	2.5
563.28894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32071	0.9
53.03964	1.5
55.05524	5.0
57.07075	2.2
67.05515	8.6
69.03445	1.9
69.05880	9.4
69.07082	9.7
71.04993	1.5
78.97796	1.0
79.05492	9.6
81.07066	19.6
83.08636	5.5
91.05474	8.6
93.07051	15.0
95.04989	2.9
95.08619	24.8
95.09235	1.7
96.08932	1.2
97.06544	3.7
97.10208	2.0
98.23409	1.3
99.08126	1.0
103.05482	1.3
105.07046	14.2
107.04928	2.3
107.08604	24.4
109.06529	4.1
109.10157	17.1
111.08117	3.6
111.11773	1.7
113.82150	1.0
117.07005	2.2
117.72117	1.1
119.08586	25.4
121.06515	3.7
121.10157	22.9
122.10465	1.4
123.08084	4.6
123.11710	11.4
124.88467	1.1
125.06025	9.5
129.06989	2.2
131.08566	7.2
133.10144	21.2
135.08101	5.0
135.11716	14.9
137.06035	1.1
137.09616	2.9
137.13271	2.9
139.07564	4.8
139.11124	1.3
140.97600	1.0
142.07823	2.1
143.08595	4.0
145.06465	1.5
145.10123	16.8
147.08063	4.3
147.11667	10.3
149.06039	1.1
149.13286	12.1
150.86102	1.0
151.07571	3.5
153.09183	1.7
155.08553	1.9
157.10147	4.6
158.10963	2.0
159.08069	3.2
159.11693	9.1
161.09627	7.7
161.13223	5.3
163.07590	1.8
163.11160	1.8
163.14868	2.4
165.09166	3.1
169.10185	2.8
171.08052	1.2
171.11693	3.9
173.09648	8.2
173.13260	8.2
174.24753	1.1
175.11224	3.5
175.14830	7.6
177.09132	4.0
177.16400	2.9
179.08792	1.3
179.10637	1.5
181.12277	1.2
182.10912	1.4
183.11713	2.4
185.09639	1.6
185.13295	5.3
187.11273	2.8
187.14867	9.4
189.12778	2.8
189.16383	22.8
190.16664	1.3
191.10640	6.9
191.17976	13.7
192.18521	1.6
193.12167	1.3
195.11725	1.6
197.13234	6.6
199.14897	3.0
201.12718	5.5
201.16415	1.7
203.10635	1.9
203.14310	16.0
203.17763	1.5
204.14554	1.8
205.15834	1.6
207.13872	1.3
207.17404	1.7
213.12778	2.8
213.16371	1.9
215.14340	28.5
216.14668	2.3
217.15953	5.5
219.13794	11.8
221.15343	8.4
225.16225	1.1
229.15939	1.3
229.19620	1.3
231.13812	15.0
231.17572	2.7
233.15378	100.0
234.15750	6.3
235.16960	9.4
239.17802	1.6
249.14886	29.3
249.18611	3.3
250.15419	1.3
251.16336	2.2
257.18958	2.2
273.18521	1.1
277.18045	6.6
331.23709	0.9
418.91965	1.3
421.31226	5.5
439.32153	21.0
440.32642	1.9
449.30554	2.8
457.32983	1.5
467.31949	5.2
481.33377	1.6
485.33032	2.1
499.33826	5.2
527.33771	9.3
528.33710	1.7
543.93451	1.1
562.33838	5.3
563.38562	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.7
57.07084	2.5
64.86336	1.5
65.50541	1.3
67.05502	6.1
69.07076	9.6
69.07431	5.7
69.07844	5.3
73.32642	1.2
79.05502	8.7
81.07054	21.5
83.08626	12.4
87.01071	1.4
91.05479	9.4
93.07050	19.6
94.71202	1.2
95.08606	36.5
97.06531	2.7
97.10167	2.1
98.23380	3.3
105.07036	19.2
107.04945	1.6
107.08598	32.9
109.06517	4.1
109.10168	21.2
111.08100	4.5
115.05452	1.3
119.08584	32.7
119.09432	1.7
121.06495	8.6
121.10146	31.4
123.08065	4.5
123.11705	19.8
125.05982	7.8
131.08543	6.7
133.06487	2.1
133.10132	29.0
133.47853	1.3
135.11687	12.6
137.05962	1.5
137.13226	2.0
139.07559	6.4
145.10139	12.1
147.08032	17.1
147.11693	17.1
149.13263	28.8
151.07523	8.7
157.10104	4.0
159.08041	3.1
159.11697	14.1
161.09624	28.3
161.13264	6.3
163.14861	3.0
164.65172	1.3
165.09123	10.1
171.11703	3.4
173.09636	4.5
173.13300	2.8
175.07516	2.2
175.11218	5.9
175.14845	8.1
177.09091	2.0
185.13266	4.5
187.14845	10.3
189.12769	3.1
189.16385	80.3
190.16754	2.1
191.10640	3.8
191.17941	47.8
192.18327	2.5
192.62949	1.4
197.13229	2.4
201.12810	6.1
203.14319	60.0
204.14624	2.9
207.17416	1.8
215.14304	15.5
217.15810	2.9
221.15378	78.5
222.15739	3.2
231.13768	8.6
233.15344	40.3
243.17474	1.6
249.14841	9.7
249.18445	10.8
257.18970	7.7
271.20590	2.0
275.23459	2.3
285.18518	2.3
290.79581	1.4
297.18332	2.2
303.19592	1.8
317.21063	1.7
329.21069	1.6
343.22775	4.0
357.59515	1.6
375.15784	1.5
390.17880	1.7
393.31403	2.1
403.29941	4.6
420.22162	2.3
421.25418	3.1
421.30966	43.7
422.31027	4.0
439.32080	100.0
440.32181	9.1
448.22113	2.7
475.20685	3.3
481.33081	4.6
499.34180	20.1
500.34155	1.6
562.25287	34.2
562.35358	2.4
562.37720	2.7
563.25897	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	562.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.3
55.01875	11.1
55.05516	35.3
57.03430	10.0
57.07060	7.7
57.30360	2.9
65.03939	4.7
67.05509	98.7
69.03427	43.5
69.07064	35.7
69.22235	16.9
69.22641	5.4
70.22307	3.5
71.01386	6.1
71.04986	9.6
73.02923	3.3
75.53529	2.5
79.05498	83.6
79.05959	5.2
81.03420	72.3
81.07059	100.0
83.04974	12.4
83.08611	14.7
85.02920	37.5
85.06550	6.5
91.05480	68.0
93.03378	3.4
93.07050	88.0
95.04970	22.2
95.08607	93.0
97.02913	32.4
97.06527	10.7
97.10187	7.8
98.22658	6.2
99.04469	8.9
99.08047	5.8
103.03973	3.6
105.04541	4.9
105.07038	83.7
106.07391	3.5
107.04958	4.1
107.08600	58.2
108.04519	4.7
109.02873	14.9
109.06528	10.7
109.10159	47.9
111.04445	8.1
111.08097	4.7
111.11682	4.3
117.07042	29.2
119.08585	46.5
121.06522	10.2
121.10155	63.8
123.04433	3.1
123.08073	11.5
123.11700	16.0
125.09663	5.8
127.03938	14.2
128.06219	3.8
129.07025	18.1
130.07735	4.0
131.08571	39.7
133.06523	5.7
133.10133	36.7
135.08051	9.2
135.10751	5.5
135.11693	35.4
137.09612	8.2
137.13284	6.9
139.11226	3.5
141.06989	6.4
143.08562	14.1
144.09357	3.2
145.10126	33.1
147.04428	3.9
147.08110	7.3
147.11690	31.5
149.09682	6.4
149.13272	18.8
151.11223	3.9
155.08571	10.3
157.06433	3.2
157.10149	15.1
159.08144	4.4
159.11713	33.0
161.09680	7.5
161.13261	17.9
163.07593	3.3
163.11205	6.9
163.14839	8.6
165.12791	4.0
167.10670	3.1
169.10121	7.7
171.08046	4.7
171.11693	15.8
173.09627	7.8
173.13272	20.4
175.11198	7.3
175.14833	6.7
177.12711	5.5
177.16356	6.0
178.57066	2.8
179.08658	3.3
181.10117	5.2
181.12242	19.6
183.11652	4.2
185.09785	3.2
185.13200	9.3
187.11221	4.1
187.14818	10.5
189.12631	6.1
189.16344	9.2
191.10480	4.6
191.14421	4.2
191.17993	6.1
193.12175	3.5
197.13356	6.9
199.14886	9.9
203.14282	4.0
205.15858	3.5
205.19478	3.5
213.16406	5.0
215.14336	4.3
217.12158	3.5
231.13994	4.5
231.17511	3.7
235.13159	4.3
241.19585	3.6
243.21068	8.5
245.15540	3.5
249.14935	4.1
259.20615	9.4
261.22122	17.4
271.20667	4.7
273.22064	8.4
275.20093	4.0
277.21625	8.0
289.21567	5.6
291.23108	4.8
301.21771	5.9
303.23233	11.5
315.23215	8.9
327.23172	7.0
341.24811	9.3
345.24435	6.5
351.23212	8.1
369.24210	27.2
387.25293	25.1
405.26495	25.2
439.32016	9.6
467.31335	6.3
471.34723	4.1
484.35117	5.7
485.32880	4.9
497.36026	4.2
527.34039	5.0
562.25415	15.4
562.34839	3.5
563.35132	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	562.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51777	12.7
67.05510	46.4
69.07076	31.9
69.68089	12.4
70.12542	13.5
79.05521	26.8
81.07060	77.5
83.08591	16.5
85.02912	14.8
86.09728	21.3
86.56100	16.7
93.07039	20.9
95.08624	64.2
107.08603	23.2
109.10178	42.1
121.10148	15.4
123.11717	23.3
146.25240	14.6
147.11662	14.6
161.13304	20.3
165.16364	26.8
185.13254	15.3
245.22649	46.1
263.23810	100.0
337.27328	63.7
381.44763	15.4
562.29584	17.5
563.29633	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	562.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.4
57.29840	5.5
66.46217	5.4
67.05507	15.6
69.07093	13.8
71.08585	6.6
71.32144	9.1
75.35188	5.0
79.05521	14.4
81.07072	37.2
83.08617	6.2
85.77044	5.2
91.05461	11.7
93.07053	14.6
95.08607	59.0
105.07048	31.9
107.08574	26.6
109.10162	32.4
112.89505	5.9
119.08614	30.5
121.10152	96.9
123.11700	23.7
131.08557	8.4
133.10158	11.8
135.11693	18.9
137.09616	7.1
137.13277	28.0
145.10091	7.8
147.11658	32.1
149.13303	13.1
158.34987	6.8
159.11652	7.7
159.81357	6.0
161.13251	8.3
163.14876	5.4
165.11386	5.4
165.12761	100.0
166.13136	6.3
173.13245	7.8
185.13173	5.8
189.16426	8.4
191.17982	6.8
203.17978	5.9
209.19017	10.2
233.15524	7.9
249.18535	9.8
275.20071	20.5
293.20987	7.9
439.35892	9.8
499.37814	10.1
562.35455	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.4
57.29840	5.5
66.46217	5.4
67.05507	15.6
69.07093	13.8
71.08585	6.6
71.32144	9.1
75.35188	5.0
79.05521	14.4
81.07072	37.2
83.08617	6.2
85.77044	5.2
91.05461	11.7
93.07053	14.6
95.08607	59.0
105.07048	31.9
107.08574	26.6
109.10162	32.4
112.89505	5.9
119.08614	30.5
121.10152	96.9
123.11700	23.7
131.08557	8.4
133.10158	11.8
135.11693	18.9
137.09616	7.1
137.13277	28.0
145.10091	7.8
147.11658	32.1
149.13303	13.1
158.34987	6.8
159.11652	7.7
159.81357	6.0
161.13251	8.3
163.14876	5.4
165.11386	5.4
165.12761	100.0
166.13136	6.3
173.13245	7.8
185.13173	5.8
189.16426	8.4
191.17982	6.8
203.17978	5.9
209.19017	10.2
233.15524	7.9
249.18535	9.8
275.20071	20.5
293.20987	7.9
439.35892	9.8
499.37814	10.1
562.35455	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93515	4.0
54.97145	3.9
55.05521	6.4
57.07079	3.7
67.05505	12.4
69.07079	11.5
69.44913	19.6
79.05503	6.6
81.07076	30.9
83.08635	5.4
91.05476	10.9
93.07042	14.4
95.08611	44.2
97.10165	3.7
105.07037	14.2
107.08596	27.7
108.63428	4.3
109.10172	27.7
115.39364	3.6
117.18915	3.5
117.51611	4.7
119.08588	23.3
121.10151	38.5
121.81281	4.1
123.11707	57.2
131.08604	4.7
133.10139	17.5
135.11737	29.9
137.13324	8.0
145.10124	10.7
147.11717	11.4
149.13300	13.1
151.11070	5.0
151.14828	4.1
157.10107	5.0
159.11719	15.8
161.13324	10.6
163.14844	5.4
173.13255	12.1
175.14818	11.7
177.16516	5.3
186.14037	6.7
187.14873	16.2
187.32408	4.0
189.16428	15.3
197.15414	8.0
199.14818	5.2
201.16443	10.3
209.15411	9.4
215.17990	7.2
229.19530	38.8
233.15382	4.3
243.21031	6.1
271.24435	5.3
289.21582	14.0
303.23193	11.3
320.72864	4.2
364.55164	4.4
388.10904	4.2
421.34650	5.3
439.35742	100.0
440.36002	11.1
499.37466	6.1
532.09717	4.6
563.39465	8.4
572.76642	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	563.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.1
51.95906	0.1
55.05509	0.2
57.03435	0.3
59.71032	0.1
60.05641	0.2
63.89487	0.1
67.01872	0.7
67.05498	0.4
68.99804	0.6
69.03421	0.4
69.07058	0.2
70.64957	0.3
71.04989	1.1
79.05473	0.3
81.03401	0.2
81.07042	0.5
83.04993	0.3
85.02911	1.6
85.06551	0.2
91.05454	0.6
93.03426	0.1
93.07055	0.5
95.04956	0.3
95.08591	0.5
97.02892	0.2
97.06525	0.2
103.05473	1.0
105.03394	0.5
105.06999	0.3
107.08595	0.3
109.02858	0.3
109.06499	0.1
109.10159	0.2
111.04435	0.1
111.08075	0.2
115.05408	0.1
117.07044	0.1
119.04942	0.2
119.08561	0.3
120.08086	0.1
121.06487	0.1
121.10166	0.1
125.05972	0.2
127.03896	0.3
129.03351	0.5
129.05475	0.3
131.08557	0.1
133.10094	0.2
137.05952	0.2
143.08534	0.2
145.04935	0.2
145.10176	0.2
147.04395	0.5
147.08023	0.1
147.11777	0.1
149.02347	1.1
151.07503	0.2
153.01822	4.3
154.02049	0.1
157.06590	0.2
157.10223	0.1
159.11806	0.2
161.09612	0.2
167.06998	0.3
171.02951	0.6
171.04300	0.2
181.04916	0.3
187.07500	0.3
193.08638	0.1
205.08678	0.2
209.05968	0.5
213.05484	0.2
227.07124	0.2
231.06567	0.3
237.05447	0.2
255.06517	100.0
256.06851	4.5
256.09485	0.3
271.06012	10.3
272.06332	0.4
287.05515	0.3
352.61450	0.1
353.10205	0.3
383.11206	0.4
401.12280	1.0
417.11737	0.4
495.95673	0.1
563.17755	0.8
563.25928	0.2
563.34546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15927	0.8
52.86161	0.9
60.91936	0.8
63.95400	0.8
67.05495	1.6
69.03431	1.1
69.35759	3.4
69.36159	1.8
70.06595	2.7
79.05508	2.2
81.03415	0.9
81.07108	1.1
82.61217	0.8
82.95995	0.8
85.02914	1.4
86.09713	2.1
89.03916	1.2
90.04689	1.2
91.05484	3.3
93.07038	1.2
93.63671	0.8
93.76143	0.8
95.04944	1.2
95.08603	1.3
98.22586	1.5
103.05465	6.1
104.06252	2.6
105.03391	0.8
105.07076	1.3
107.04956	3.3
113.33836	0.9
117.03370	1.8
118.04187	2.4
119.04939	0.8
119.08683	1.1
120.08153	1.1
121.06535	1.2
131.04929	23.2
132.05722	26.3
133.02859	2.1
133.06482	2.0
135.04382	2.1
137.05946	1.6
145.02856	1.9
145.10291	0.9
145.19221	1.0
146.03571	1.0
147.04417	1.3
148.05182	2.5
149.05983	4.7
151.03929	1.2
151.07492	1.9
159.04436	2.7
160.05199	14.5
161.05919	3.8
162.06783	1.3
163.03902	2.9
163.07565	3.1
165.05461	2.2
167.07042	8.9
173.06001	1.4
176.04721	2.1
177.05478	13.6
179.07089	5.7
180.07805	6.1
181.04950	1.5
187.03893	5.3
191.07037	25.5
191.08740	1.7
192.07817	100.0
193.08177	4.7
199.03958	2.1
207.06502	5.7
208.07307	1.2
243.36237	0.9
293.08054	1.4
311.09189	1.0
321.07520	2.5
325.10507	1.4
341.10193	3.5
353.10220	25.0
354.10535	1.5
371.11243	18.0
372.11395	1.5
455.97186	1.0
563.16699	2.7
563.33105	2.2
587.71558	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1763
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
50.01611	0.1
51.95906	0.1
55.05509	0.2
57.03435	0.3
59.71032	0.1
60.05641	0.2
63.89487	0.1
67.01872	0.7
67.05498	0.4
68.99804	0.6
69.03421	0.4
69.07058	0.2
70.64957	0.3
71.04989	1.1
79.05473	0.3
81.03401	0.2
81.07042	0.5
83.04993	0.3
85.02911	1.6
85.06551	0.2
91.05454	0.6
93.03426	0.1
93.07055	0.5
95.04956	0.3
95.08591	0.5
97.02892	0.2
97.06525	0.2
103.05473	1.0
105.03394	0.5
105.06999	0.3
107.08595	0.3
109.02858	0.3
109.06499	0.1
109.10159	0.2
111.04435	0.1
111.08075	0.2
115.05408	0.1
117.07044	0.1
119.04942	0.2
119.08561	0.3
120.08086	0.1
121.06487	0.1
121.10166	0.1
125.05972	0.2
127.03896	0.3
129.03351	0.5
129.05475	0.3
131.08557	0.1
133.10094	0.2
137.05952	0.2
143.08534	0.2
145.04935	0.2
145.10176	0.2
147.04395	0.5
147.08023	0.1
147.11777	0.1
149.02347	1.1
151.07503	0.2
153.01822	4.3
154.02049	0.1
157.06590	0.2
157.10223	0.1
159.11806	0.2
161.09612	0.2
167.06998	0.3
171.02951	0.6
171.04300	0.2
181.04916	0.3
187.07500	0.3
193.08638	0.1
205.08678	0.2
209.05968	0.5
213.05484	0.2
227.07124	0.2
231.06567	0.3
237.05447	0.2
255.06517	100.0
256.06851	4.5
256.09485	0.3
271.06012	10.3
272.06332	0.4
287.05515	0.3
352.61450	0.1
353.10205	0.3
383.11206	0.4
401.12280	1.0
417.11737	0.4
495.95673	0.1
563.17755	0.8
563.25928	0.2
563.34546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
56.05051	1.0
57.03447	1.5
61.02930	2.1
65.81730	0.7
69.03426	4.8
69.62398	3.3
70.06597	2.5
71.09772	0.8
72.08154	1.4
72.20240	0.8
73.02923	0.9
74.06075	0.7
79.05527	1.5
81.03429	2.1
81.43212	0.8
84.00461	0.7
84.08144	1.5
85.02907	13.6
85.03378	1.4
86.09697	0.8
89.03911	1.9
89.17744	0.7
91.05476	1.9
95.05030	1.3
97.02901	3.5
98.22604	0.9
99.04488	1.0
103.05510	1.1
104.80498	0.8
105.07043	2.2
107.04943	0.9
109.02908	1.8
115.05449	1.1
117.03394	4.4
120.08144	1.4
123.04385	1.4
127.03916	2.2
131.04921	1.8
133.06520	2.6
135.04442	1.3
137.06017	2.6
137.88251	0.7
145.02856	20.5
145.04967	2.3
145.06416	0.9
146.03557	0.7
147.04411	1.3
149.06001	4.6
151.03870	1.3
152.04671	4.8
153.05475	1.3
159.04398	1.3
161.05988	7.1
161.42520	0.8
163.03896	4.6
163.07565	0.9
167.07045	100.0
168.07326	3.7
175.07460	0.8
177.05469	47.4
178.05824	1.5
180.08833	1.0
183.06525	1.3
187.03940	2.7
189.05363	1.5
191.03458	3.2
191.07066	1.1
193.08623	2.7
195.06485	1.7
201.05434	1.3
202.02631	2.5
203.03380	1.3
203.07112	2.2
205.05000	1.9
209.08084	65.4
210.08455	2.6
215.03461	1.2
215.07095	1.2
217.04968	40.2
218.05449	1.3
219.06529	5.4
227.06989	1.3
229.04866	5.8
231.06470	0.9
233.04604	1.3
235.05992	1.2
243.06587	1.9
245.04497	5.5
247.06085	6.9
249.07678	1.1
253.92143	0.8
271.05869	1.2
273.07663	1.1
275.05460	9.0
289.07132	2.5
293.06558	15.5
305.06500	8.8
317.06491	3.7
335.07629	7.7
353.08670	27.6
354.08896	0.9
367.10013	3.8
385.11243	1.6
564.22784	1.1
565.18335	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	10.4
57.03431	5.9
57.07063	3.6
66.03105	3.5
66.41862	4.5
67.05505	34.7
69.03443	6.7
69.07076	10.0
69.21121	4.1
69.39782	4.0
69.86522	8.5
69.86888	15.3
79.05504	25.6
81.03430	8.5
81.07059	32.2
83.08623	9.6
85.02898	22.0
91.05467	25.5
93.07037	24.4
95.05006	5.5
95.08603	30.6
97.02870	9.4
97.06542	7.4
97.10174	8.5
105.07022	20.7
107.04930	7.1
107.08617	26.7
109.06503	5.6
109.10161	21.9
117.07010	8.1
119.08583	21.3
120.30164	3.8
121.10144	9.5
123.11716	4.5
127.03925	10.6
131.08589	12.7
133.02887	4.3
133.10146	14.3
135.11691	11.0
143.08551	5.3
145.04962	9.8
145.10135	14.5
147.11720	9.3
149.02386	9.3
149.13275	9.8
159.11758	10.4
161.13214	6.2
163.05977	8.6
167.06993	9.1
171.11775	4.3
173.11748	5.3
185.13219	4.6
185.85321	4.5
203.14526	4.9
205.19519	15.4
222.22261	4.9
227.12636	4.4
229.14352	19.6
239.17926	4.0
257.19012	5.3
275.19983	21.4
299.12820	5.6
309.20493	7.8
317.13779	10.6
349.23703	27.8
459.27979	3.9
479.18817	13.1
521.19928	54.3
521.26935	7.8
565.18994	100.0
565.26331	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	564.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41574	0.3
59.05006	0.9
60.39704	0.3
63.75124	0.4
67.05499	0.3
68.52055	0.3
69.03441	1.5
70.06587	0.8
71.04987	1.0
71.31717	0.3
72.08144	0.5
73.02922	0.7
73.06575	2.1
79.05491	0.6
81.07054	0.3
84.08132	0.3
85.02908	0.7
86.09711	0.4
87.04475	9.9
89.06035	100.0
90.06389	1.1
91.05480	0.4
91.07615	0.4
93.07058	0.3
97.06541	0.4
103.05428	0.3
105.03438	0.4
105.07024	0.7
107.06413	0.4
107.07076	2.2
117.09153	1.4
120.08150	1.0
121.06503	0.3
123.08066	0.8
129.07025	0.5
130.08647	0.6
131.07034	3.0
131.08591	0.4
132.07434	0.4
133.08609	57.2
134.08961	0.7
134.66264	0.3
134.81509	0.3
135.10162	0.4
139.74194	0.3
149.06033	0.4
153.05510	0.4
167.07053	0.7
175.09637	2.3
177.05428	0.4
177.11229	19.1
178.11533	0.5
181.04913	0.4
201.12822	0.3
219.12260	0.4
221.13843	2.8
239.14920	0.9
258.67279	0.3
265.16397	0.8
267.13940	0.3
283.17535	0.9
309.19186	0.9
327.20221	0.6
386.28708	0.3
415.68542	0.4
459.27414	0.5
480.08472	0.3
503.30579	0.8
547.33209	3.2
548.33411	0.4
564.21301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.5
57.07076	2.9
58.53834	2.0
59.05001	2.8
67.05196	2.6
67.05510	14.8
69.03431	4.1
69.07064	23.5
69.08401	18.4
79.05500	14.2
81.07059	29.5
83.04997	3.6
83.08633	7.2
91.05496	10.0
91.35912	2.0
93.07052	26.9
95.04984	6.0
95.08610	57.9
97.06504	3.7
97.10138	3.3
99.04440	2.5
105.07034	25.3
107.08598	44.9
109.06550	3.7
109.09426	4.3
109.10153	40.8
111.08089	2.8
111.11722	7.9
117.06992	2.6
119.08586	32.8
121.06529	14.6
121.10151	100.0
123.08071	8.2
123.11704	28.1
125.09602	3.9
131.08563	7.7
133.10143	36.7
135.08083	11.8
135.11708	42.0
137.09641	3.9
137.13272	12.2
139.11191	4.5
143.08549	3.0
145.10150	12.0
147.11702	19.6
149.09604	8.3
149.13271	13.3
151.07538	11.4
151.11191	4.2
151.14835	2.4
153.09122	3.8
157.10143	8.5
159.11682	13.6
161.09634	4.7
161.13263	15.5
163.07567	3.3
163.11188	18.3
163.14789	11.1
165.09068	3.2
165.12769	8.6
167.10701	7.5
171.11728	5.7
173.09584	2.8
173.13245	12.4
175.11159	5.4
175.14816	12.6
177.12787	3.5
177.16397	6.1
179.10707	2.4
181.12254	7.1
183.11638	4.2
185.13240	6.5
187.11201	2.7
187.14799	10.8
189.12755	2.8
189.16376	19.4
191.10709	3.2
191.14284	5.4
191.17984	4.0
193.12270	3.0
193.15834	2.8
195.13876	4.3
199.14847	3.5
201.16393	6.3
203.14374	4.7
203.17990	6.2
205.12286	3.2
205.15999	3.1
205.19536	27.6
209.15288	3.3
209.96161	2.4
213.16460	5.0
215.17920	4.5
217.15913	3.9
217.19537	4.0
219.13876	5.0
221.15387	5.2
225.16431	2.7
227.17914	4.5
229.19612	3.7
231.17455	14.5
233.15358	3.3
233.19049	9.0
235.16974	3.6
239.18045	2.5
241.19536	6.5
243.21042	4.7
245.19083	5.2
247.17010	3.5
249.18477	10.6
253.14325	3.2
255.17783	2.5
255.21117	3.9
257.18936	3.8
259.16959	7.9
259.20578	16.0
261.18503	23.2
261.22144	7.3
273.18533	2.5
275.20181	3.2
277.21555	5.4
283.20657	2.5
285.22095	3.3
287.19971	5.4
289.21631	9.8
301.21655	9.5
359.22324	2.9
381.31598	2.9
405.31796	11.0
414.07339	2.3
423.32584	48.1
424.32928	3.4
433.30972	5.8
441.33469	7.4
451.32187	20.2
469.27014	3.0
469.33243	37.2
470.33289	3.9
483.34479	9.1
485.36011	3.3
487.34125	6.0
493.32990	6.4
511.27066	3.5
511.34274	34.3
512.34796	3.9
529.35205	31.8
530.35596	3.6
544.11011	2.3
547.36670	5.1
565.30945	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	564.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.6
57.07068	7.1
67.05496	27.0
69.03440	3.3
69.07065	31.2
69.38084	22.1
79.05491	13.5
79.21785	3.8
81.07062	45.1
83.08607	9.4
89.61178	3.6
91.05486	14.5
93.07050	37.7
95.04996	6.5
95.08041	6.9
95.08611	81.5
97.10164	3.3
105.07047	37.2
107.08602	57.0
109.06553	6.6
109.10168	55.9
111.08086	5.4
111.11731	5.1
119.08582	31.0
121.06521	19.5
121.10147	100.0
123.08092	13.8
123.11730	48.8
131.08565	4.3
133.10139	40.5
135.08063	9.2
135.11697	48.2
137.09654	8.2
137.13232	24.2
139.11180	6.8
143.08609	8.4
145.10129	20.3
147.08080	6.6
147.11693	28.6
149.09630	9.4
149.13268	12.4
151.07532	9.9
151.11165	3.7
151.14879	4.9
153.09125	7.3
157.10136	9.1
159.11678	14.4
161.13278	8.9
163.11186	24.3
165.09079	5.2
165.12732	18.8
167.10713	9.5
170.10803	4.2
171.11679	7.6
173.13295	14.9
175.11176	7.7
175.14850	8.6
175.43822	4.0
177.09061	3.7
177.12642	4.5
177.16440	6.3
181.12231	5.6
185.13272	8.7
187.11136	4.5
187.14806	8.7
189.16373	16.9
193.12308	3.7
197.13266	5.8
199.14812	6.4
205.12210	3.4
205.19533	20.9
213.16373	5.6
217.19518	4.3
221.15436	5.1
233.15521	4.0
241.19554	4.1
245.19157	4.4
247.16858	5.2
249.18520	6.0
255.17816	3.7
259.17038	5.9
259.20599	29.9
261.18527	15.7
275.20105	5.2
277.21811	5.5
285.22018	4.5
287.20154	5.1
289.18228	5.4
289.21625	13.5
301.21625	7.8
303.23355	5.1
305.21155	9.2
405.31567	12.8
423.32559	70.9
424.33112	5.6
433.30939	6.6
441.33493	15.4
451.32343	20.8
465.34219	3.6
469.33243	20.6
483.34509	6.4
487.34003	10.7
493.33084	10.2
501.36029	4.9
511.34198	26.6
529.35162	49.2
530.33917	4.2
565.31329	12.5
589.37115	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	565.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	11.1
70.36435	1.0
72.08148	3.3
82.09637	1.1
83.70593	1.1
84.04513	1.3
84.08147	3.2
85.02899	2.5
86.09713	3.7
91.05479	3.0
97.02905	1.5
107.04995	1.2
110.07160	4.1
120.08105	3.4
121.06480	1.9
133.06177	2.2
136.07585	3.6
137.02327	2.2
137.05997	2.0
146.53732	1.3
147.04449	1.7
149.50342	1.2
152.71371	1.3
161.06032	2.0
163.03842	1.3
165.01871	3.8
167.07109	2.2
177.05457	3.7
185.04140	1.6
191.07025	3.0
193.01323	7.9
193.08655	1.3
197.01230	1.4
201.05489	2.1
206.05547	1.7
209.08043	3.1
210.08719	1.6
220.09320	2.1
241.04013	2.5
303.14856	1.3
333.70309	1.3
373.09641	3.1
385.09229	3.8
396.02298	1.3
403.10196	3.3
421.11584	2.5
565.16919	100.0
566.17285	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	565.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	11.1
70.36435	1.0
72.08148	3.3
82.09637	1.1
83.70593	1.1
84.04513	1.3
84.08147	3.2
85.02899	2.5
86.09713	3.7
91.05479	3.0
97.02905	1.5
107.04995	1.2
110.07160	4.1
120.08105	3.4
121.06480	1.9
133.06177	2.2
136.07585	3.6
137.02327	2.2
137.05997	2.0
146.53732	1.3
147.04449	1.7
149.50342	1.2
152.71371	1.3
161.06032	2.0
163.03842	1.3
165.01871	3.8
167.07109	2.2
177.05457	3.7
185.04140	1.6
191.07025	3.0
193.01323	7.9
193.08655	1.3
197.01230	1.4
201.05489	2.1
206.05547	1.7
209.08043	3.1
210.08719	1.6
220.09320	2.1
241.04013	2.5
303.14856	1.3
333.70309	1.3
373.09641	3.1
385.09229	3.8
396.02298	1.3
403.10196	3.3
421.11584	2.5
565.16919	100.0
566.17285	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	565.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.5
57.07052	0.5
69.03391	0.5
70.34448	0.7
70.66240	0.3
85.02836	0.4
88.72398	0.3
93.78554	0.3
113.05730	0.5
149.02347	7.2
171.00496	0.5
172.94853	0.3
175.07503	0.4
177.67336	0.3
185.04149	0.7
189.01498	0.5
199.07339	1.5
243.06308	0.8
245.08066	2.8
257.07697	0.6
257.10062	0.7
261.07321	3.4
275.10995	3.0
289.05161	0.5
299.12582	8.6
300.12747	0.4
305.85300	0.3
317.13666	21.1
318.13919	1.2
343.10043	0.5
345.12997	1.7
359.14673	0.5
423.12726	1.1
459.90747	0.4
461.17786	1.1
479.18939	16.6
480.19360	1.5
521.19940	61.8
522.20300	5.3
565.18909	100.0
566.19232	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	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32641	0.4
50.53831	0.3
53.03952	0.4
55.05536	1.0
67.05520	0.6
69.03336	3.3
69.07082	0.6
72.21795	0.3
77.79324	0.3
79.05522	0.7
81.03433	0.8
81.07079	1.3
85.02921	1.0
91.05505	1.0
93.07082	1.0
95.04992	0.4
95.08624	0.8
97.02912	0.5
97.06564	0.6
105.07052	1.1
107.08615	0.6
109.06584	0.4
109.10209	0.5
119.08646	0.7
121.10152	0.4
123.11748	0.5
124.08382	0.4
125.05988	0.4
125.42699	0.4
125.80680	0.4
131.08612	0.6
133.02866	0.6
133.10127	0.7
135.62646	0.6
137.06000	0.6
145.10167	0.5
149.02345	5.3
149.03413	0.4
149.06024	0.4
167.06990	1.8
171.00616	0.4
174.06602	0.4
175.07608	0.5
181.05031	0.7
185.04364	0.4
191.07098	0.7
199.07437	0.8
245.07848	3.3
257.07913	1.0
257.10217	0.6
261.07562	0.8
275.11099	1.7
275.20294	0.6
277.14371	0.5
299.12570	1.0
317.13687	15.3
318.13995	0.6
345.13028	3.8
359.14786	0.9
423.12631	0.6
427.17093	0.5
445.18155	0.5
461.18161	1.5
479.18921	21.0
479.25711	0.9
480.19031	1.8
503.19714	0.4
521.19977	70.7
522.20245	6.2
565.18903	100.0
565.26123	4.0
566.19324	7.5
566.27264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
78.11371	0.4
90.87358	0.5
91.05435	0.4
113.05811	0.4
149.02277	1.0
171.00476	0.4
177.15160	0.3
199.07289	1.0
221.08183	0.3
224.44881	0.4
229.31831	0.5
245.07866	1.1
257.10007	0.6
261.07324	1.5
272.66306	0.3
275.11032	6.5
317.13782	9.9
345.13113	5.3
359.14551	0.5
423.12543	1.3
461.17828	1.5
465.13724	0.8
479.18961	20.8
480.19232	1.5
503.19019	0.5
521.19952	66.1
522.20251	5.6
565.18915	100.0
566.19250	9.4
574.56763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03136	0.5
64.86217	0.5
67.05481	1.3
67.05798	0.5
69.03408	0.6
69.07034	0.9
71.30556	0.8
71.84767	0.5
73.21038	0.5
77.33541	0.5
79.05439	0.8
81.03378	0.7
81.06992	1.6
83.04940	0.6
91.05434	1.0
93.07012	1.2
95.08578	1.2
99.08071	0.6
105.06988	0.9
107.08532	1.6
109.10137	0.9
119.08551	1.1
121.10085	1.1
123.11640	0.6
131.08543	1.3
135.04297	0.6
149.02365	6.5
149.09512	0.7
159.11720	0.5
161.13139	0.7
171.00531	0.7
199.07249	1.2
245.07896	4.7
261.07269	1.1
268.87006	0.5
269.17471	0.6
270.86310	0.5
275.10834	0.9
299.12540	0.8
317.13696	13.3
318.13873	0.8
318.76505	0.6
345.13086	5.6
359.14749	0.7
423.12787	0.6
461.17813	2.4
475.45975	0.6
479.18985	16.7
480.19223	1.5
503.19043	0.8
521.19971	76.6
522.20221	4.4
565.18933	100.0
566.19324	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	565.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15207	2.7
69.55913	2.7
70.06596	6.8
71.31303	2.5
71.31658	3.8
112.08720	3.1
118.06545	26.5
120.08202	3.5
132.08099	6.9
144.08025	14.9
146.04918	5.9
146.06006	73.4
151.32089	2.9
159.09250	5.6
170.06052	5.8
188.07072	100.0
189.07477	3.5
205.09729	32.7
213.53748	2.9
361.02426	3.3
403.13748	5.9
435.02411	3.6
565.10480	3.9
565.18903	64.0
565.28131	4.3
565.31549	3.6
566.19635	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	565.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03948	7.1
55.01866	3.6
55.05511	1.5
57.03423	0.8
65.03934	6.8
67.05499	3.4
68.34468	0.9
69.03434	3.2
70.17908	3.1
72.58479	0.9
75.04459	1.0
77.03932	1.5
78.04708	4.3
79.05502	6.9
81.03431	6.4
81.07050	3.9
84.29276	0.9
85.02910	3.7
85.06580	0.9
85.32757	1.0
89.03922	2.1
91.05482	25.9
93.03401	1.4
93.07036	6.7
95.04974	10.1
95.08606	2.5
97.02914	1.4
97.06557	1.4
99.04501	1.3
103.05472	16.6
105.03378	3.0
105.04498	2.1
105.07025	8.5
106.04176	3.3
107.04950	10.2
107.08607	2.0
109.02937	1.0
109.06503	3.6
109.10135	1.7
109.38418	0.9
110.03642	1.8
111.04447	3.4
115.05447	7.2
117.03359	1.6
117.07017	4.1
118.04159	2.3
119.04952	4.9
119.08586	3.5
121.06528	8.1
121.10123	1.4
122.03625	2.9
123.04413	9.9
123.11642	1.0
124.05222	3.8
125.05988	3.1
126.31416	0.9
128.06242	1.8
129.06979	1.3
131.04935	10.0
131.08557	1.5
132.05719	1.7
133.02855	28.7
133.06502	7.6
133.10072	0.9
134.03563	1.4
135.04424	3.4
137.05974	20.6
138.37363	0.9
138.62398	0.9
139.07516	1.3
143.04945	2.7
143.08591	1.0
145.05421	1.2
145.06470	8.9
145.10146	0.9
146.03580	1.0
146.07269	1.5
147.04408	3.4
147.08038	2.5
147.11783	1.4
148.05173	4.1
149.05977	8.4
149.09641	1.3
150.06839	1.0
151.03951	6.9
151.07539	14.2
152.04701	2.1
153.05531	5.1
153.06622	1.2
155.05948	1.5
155.07124	1.0
157.06499	1.5
159.04419	1.6
159.08032	1.9
160.05197	1.6
161.05978	10.8
163.07541	5.2
165.05469	9.9
165.06895	1.6
165.09169	1.1
167.07048	100.0
168.07353	2.5
169.06409	1.6
173.05995	7.2
174.06563	1.2
175.07570	6.1
177.05467	3.3
177.09103	3.7
179.07063	1.4
181.04958	23.4
181.06439	2.6
186.06821	1.3
187.07466	1.4
188.08409	1.3
189.05391	1.4
189.09082	2.2
190.06271	1.3
190.07915	1.2
191.07005	27.4
193.08603	2.9
195.08080	2.8
198.06721	1.7
199.07542	1.6
202.07855	1.3
203.07030	4.7
205.08574	4.0
205.10211	3.5
206.10579	4.4
207.09993	1.2
207.11758	1.1
209.05977	1.5
209.08008	1.5
210.06769	1.5
211.07568	1.7
212.08296	1.4
213.09149	1.7
217.08658	2.1
219.06471	2.0
219.10088	1.1
221.06042	1.1
222.06755	1.2
223.07607	3.6
224.08324	1.7
225.09163	2.2
226.06252	2.2
227.06985	2.3
231.06476	1.4
233.06044	1.3
233.07930	4.7
235.07581	1.9
235.09668	6.8
239.06938	1.4
240.07910	2.2
241.08586	5.2
242.05560	1.1
247.07396	1.2
251.06865	1.2
252.07649	1.3
255.10249	6.2
256.10690	1.5
263.06985	1.8
265.08524	1.5
267.10056	1.2
269.07980	2.1
270.08954	1.1
276.07623	1.3
277.08606	1.4
278.09293	1.4
279.10254	1.3
283.09418	1.6
287.12711	5.1
289.05423	1.0
291.10239	1.2
293.08160	1.7
293.11557	1.5
295.09723	1.7
301.10968	1.3
303.10538	1.1
307.09616	1.7
308.10303	1.2
309.11011	1.2
311.12781	1.0
313.10703	2.9
315.12393	2.8
317.13638	4.3
321.11185	1.6
325.10651	2.3
327.12033	1.1
329.10233	16.8
330.05322	1.8
331.04901	6.7
337.10684	1.9
343.11856	2.8
349.05862	1.8
353.13876	2.2
355.11761	2.4
357.13095	1.8
369.13354	1.5
381.13315	6.3
383.14941	2.7
385.12790	8.1
415.15201	1.7
505.18643	1.7
521.27118	3.2
535.19611	7.5
565.07355	21.0
565.20380	20.1
565.34985	1.7
566.07867	3.0
566.20776	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05662	0.5
60.68873	0.5
62.55963	0.4
66.99473	0.6
68.20829	0.4
75.28260	0.5
75.63427	0.5
78.33076	0.5
79.13260	0.4
81.07047	0.5
91.05492	1.2
95.01113	0.6
105.07064	0.7
107.04937	0.6
111.04517	0.5
117.06995	0.6
117.55833	0.5
119.08582	0.9
124.90167	0.5
131.04912	0.7
133.02788	0.5
137.05981	1.5
151.07578	0.5
154.01857	0.5
167.07082	2.2
185.04248	1.2
191.07045	0.8
193.06764	0.5
201.03683	0.9
223.07787	0.7
245.06436	0.6
249.09158	0.6
263.06741	0.5
265.08722	0.9
291.10110	0.9
305.16907	0.5
307.09497	0.7
337.10690	5.8
338.11407	0.9
339.12308	0.6
347.09393	0.8
363.08954	8.3
365.10526	4.2
367.11749	2.0
369.13531	3.6
403.17297	0.6
565.22577	100.0
566.22864	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	565.2254
Annotation	Bistratamide J
Peak:m/z	Relative Intensity
51.60259	0.3
52.45245	0.4
60.05626	0.4
69.17805	2.2
73.85387	0.3
79.05502	0.3
86.92192	0.4
91.05488	0.5
93.39500	0.4
98.22575	0.4
113.02137	0.8
125.02226	0.3
137.05960	0.4
167.07101	0.7
185.04280	1.1
201.03789	0.9
203.05489	0.4
206.81670	0.4
245.06389	0.7
338.37131	0.3
343.15305	0.4
347.09555	0.7
363.08932	8.6
364.09277	0.7
365.10501	4.5
374.34848	0.3
403.17230	1.0
419.99548	0.4
458.75906	0.4
565.22546	100.0
566.22913	10.2
566.30072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05503	1.0
55.78763	0.2
57.03426	0.8
65.03916	0.3
67.01862	0.4
67.05508	1.5
68.07800	0.2
68.99789	0.5
69.03422	0.7
69.07082	1.7
69.07532	1.0
71.05000	1.5
73.02902	0.5
79.05474	1.4
81.03417	0.4
81.07069	1.4
83.04962	0.6
83.08630	0.3
85.02900	1.2
85.06540	0.4
91.05485	1.7
93.07033	1.6
95.04950	0.6
95.08603	1.3
97.02866	0.4
97.06539	0.7
97.10160	0.3
98.23382	0.4
99.04415	0.3
100.11246	0.6
105.07022	1.3
107.05001	0.4
107.08595	1.1
109.06525	0.2
109.10149	0.7
111.08080	0.6
117.05486	1.0
117.07016	0.5
118.00996	0.2
119.04967	1.8
119.08566	0.7
120.08092	0.6
121.02875	0.5
121.10130	1.0
125.09633	0.4
127.03925	0.4
131.08582	0.5
133.10141	0.5
137.06023	0.4
139.11148	0.6
145.02838	0.6
145.10117	0.8
147.11703	0.4
148.07600	0.5
149.09612	0.8
151.03943	0.3
153.01823	5.1
153.05406	0.3
159.11755	0.4
161.05983	0.3
163.03926	0.6
167.07031	0.7
171.02919	0.7
173.13332	0.3
176.07007	0.4
181.04951	0.4
185.11723	0.7
193.12354	0.4
194.08194	0.6
220.66821	0.2
229.05019	0.3
241.14365	0.8
243.06514	0.4
251.37064	0.2
257.19089	0.3
259.15353	1.8
271.06006	100.0
272.06348	7.1
275.20068	0.6
287.05423	0.3
293.21054	0.5
339.12173	0.4
367.24802	1.7
385.25742	1.0
387.14655	0.3
433.11127	1.0
565.18860	0.4
566.42438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.05516	12.2
55.46123	2.1
57.07067	8.0
65.03935	4.0
67.05503	21.1
69.03429	5.1
69.07063	10.4
71.09705	4.2
79.05494	20.9
80.97662	2.2
81.07056	25.6
83.04981	5.4
83.08620	6.0
85.06585	4.7
88.71137	2.8
91.05480	32.4
91.06013	3.9
91.56570	2.3
93.07052	40.3
93.28461	2.3
95.04958	7.3
95.08596	27.7
95.09083	2.9
97.06522	5.1
105.07027	69.1
107.08590	32.7
109.06557	4.0
109.10143	16.7
115.05423	4.0
117.07030	10.5
119.08582	58.4
119.92327	2.9
121.06535	3.6
121.10146	43.8
123.08089	8.1
123.11729	4.8
125.06006	3.5
128.06242	7.2
129.07036	10.2
130.07813	5.1
131.08562	22.1
133.10129	32.2
134.63222	2.8
135.08054	5.3
135.11697	11.8
137.09633	4.8
141.07008	8.3
142.07776	21.4
143.08551	32.6
144.09312	4.2
145.10135	39.6
147.08061	7.4
147.11667	13.3
149.09627	5.7
151.07561	4.7
153.06998	3.3
154.07764	3.3
155.08575	11.3
156.09344	13.6
157.10121	40.2
158.10944	4.3
159.11688	20.1
161.09666	3.7
161.13268	6.3
163.11172	6.7
165.07007	6.4
165.09087	18.1
166.07823	2.8
167.08611	10.1
167.10710	9.0
168.09381	6.2
169.10112	20.4
170.05153	2.3
170.10916	7.5
171.11716	24.2
173.09686	2.7
173.13272	20.2
173.44933	2.5
175.11162	2.6
175.14848	3.9
179.08597	9.3
180.09393	5.7
181.10155	12.2
181.12311	3.1
182.10957	10.1
183.11674	17.7
184.12364	3.2
185.13281	16.8
187.11093	2.6
187.14853	7.3
189.12796	4.8
191.18091	2.7
192.09370	7.1
193.10110	15.5
194.10959	7.0
195.11691	17.3
195.94557	2.3
196.12535	4.4
197.13300	14.2
199.14835	13.4
203.14302	7.1
206.10933	8.4
207.11705	20.3
207.13539	4.5
208.12395	4.5
209.13298	21.4
210.14040	5.9
211.14886	9.2
213.16388	4.8
217.10129	3.5
217.15828	3.1
219.11678	5.6
220.12476	6.2
221.13275	15.5
221.15421	28.3
223.14824	11.7
225.16367	4.7
229.10268	4.0
230.10988	2.9
231.11771	6.9
232.12531	6.0
233.13275	10.8
233.15366	4.2
235.14832	8.6
237.12892	3.1
237.16429	9.2
239.18034	4.6
243.11839	2.9
245.13284	8.6
246.14091	5.1
247.14868	8.8
249.16385	4.3
251.18018	4.4
253.19658	6.9
257.13309	3.4
260.15692	3.7
261.16385	9.2
263.18082	11.1
265.19650	8.4
271.14835	3.3
273.16443	6.0
275.17911	5.8
277.19461	3.8
282.27698	2.7
283.14780	3.0
285.16431	3.3
287.20193	3.4
289.19598	4.7
297.16245	2.6
315.21146	2.7
329.22672	4.5
331.24380	4.3
357.25934	3.6
373.25107	4.3
383.27347	2.7
393.05756	3.0
473.34167	14.3
547.39355	9.8
565.40417	100.0
566.40894	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	566.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85950	0.9
51.02374	1.7
52.17885	0.9
53.03939	4.1
55.01875	26.9
55.05513	2.0
57.03435	7.5
59.04991	1.9
61.02918	4.2
65.03941	3.3
66.89896	1.1
67.05508	2.7
69.03435	13.8
70.06584	1.9
70.20382	1.0
71.01369	2.4
71.04992	9.2
71.31206	1.6
73.02927	4.8
77.02408	1.0
77.03925	1.5
79.05486	8.1
81.03413	3.6
81.07040	1.9
83.01336	6.5
83.04988	3.6
84.08138	1.2
85.02901	21.5
86.09704	2.4
87.00837	3.6
87.04462	7.0
91.05482	27.2
92.05782	1.2
93.03416	12.3
93.07040	5.6
95.01346	1.4
95.04984	6.6
97.02901	6.1
99.04453	3.6
101.02380	4.4
101.05998	2.0
103.05474	22.1
105.04513	2.5
105.07030	7.9
107.04946	5.7
107.08580	2.6
109.02908	3.9
109.06493	2.0
109.10162	1.4
111.00825	8.7
111.04462	2.3
115.03939	8.0
115.05462	21.0
116.06298	1.2
117.07030	24.8
119.03434	4.4
119.04971	1.7
119.08575	7.6
120.08124	2.0
121.06509	100.0
121.10109	1.7
122.06844	1.5
123.04470	1.8
123.08065	14.5
127.03934	4.9
129.01865	14.5
129.07008	1.8
131.04944	2.6
131.08572	1.5
133.04970	1.7
133.06520	1.9
133.10115	1.8
135.04510	1.1
135.08054	23.7
136.07587	2.2
137.05981	3.9
137.09702	1.6
139.03917	1.2
143.03397	9.1
145.04980	3.4
145.06500	5.1
147.04454	1.4
147.08022	5.9
149.06015	2.9
151.03922	1.7
151.07596	1.3
153.05412	1.7
155.03384	3.0
157.01318	4.5
159.04419	1.6
161.04475	7.7
161.05844	2.4
163.07545	78.3
164.08034	1.7
165.09138	5.5
167.07077	2.6
171.02887	7.4
173.06058	1.7
175.07570	1.8
177.05539	2.1
177.09094	1.8
179.07062	3.8
181.08633	2.9
187.07626	1.5
189.03955	44.5
189.05420	2.2
191.06969	1.2
201.05479	1.4
203.06934	1.3
205.03339	1.3
205.04967	1.3
205.08640	2.9
207.06598	1.3
209.08093	2.5
217.08667	1.6
221.08073	1.4
227.06961	1.3
231.04971	24.0
231.06993	1.3
243.04979	3.7
245.07997	1.6
285.06137	2.4
287.05374	5.4
291.08682	3.1
301.07175	2.5
309.09518	3.6
333.09732	15.4
351.10757	47.7
352.10886	3.3
369.11850	4.3
373.14059	6.1
405.16354	2.9
535.19269	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54983	1.2
55.01873	2.7
55.05511	2.3
57.03435	2.3
61.02929	3.4
67.05513	4.3
69.03430	12.2
69.07040	1.4
69.56596	8.4
70.06602	2.9
71.04992	4.1
79.05495	3.7
81.03396	3.9
81.07069	11.7
83.04967	1.4
84.08182	1.8
85.02905	84.1
86.09711	1.6
91.03951	3.0
91.05476	10.6
93.07059	3.9
95.04976	2.7
95.08614	3.0
97.02896	13.8
97.06549	1.4
98.23376	1.8
99.04443	1.5
103.38743	1.3
105.07030	15.4
107.08601	3.7
109.02890	3.9
109.06533	2.8
109.10178	4.7
111.04429	2.3
117.07053	4.3
119.04966	2.2
119.08573	20.1
121.06550	1.6
121.10147	6.2
123.04422	3.1
123.10804	2.4
123.11707	51.0
125.06016	4.3
127.03907	10.4
128.06277	1.6
129.07008	2.2
130.07826	3.4
131.04988	1.7
131.08582	3.6
133.06508	7.8
133.10175	1.2
137.06007	3.1
143.08617	2.0
145.02974	1.6
145.04956	13.9
145.10138	18.4
147.04427	5.2
147.08052	3.6
147.11685	31.3
148.12123	1.2
149.06029	1.3
149.09615	4.8
151.07545	3.7
156.09354	4.9
159.08096	2.3
161.13300	1.5
163.06038	6.5
165.05518	2.6
165.12747	2.1
167.07089	2.6
171.11688	5.6
175.03920	4.7
177.05489	5.5
180.06612	1.2
189.12749	100.0
190.13098	5.4
192.04163	1.6
202.59361	1.2
207.06485	12.9
207.13803	50.1
208.06868	2.3
208.14146	1.7
213.05301	1.6
217.12245	3.0
225.07588	5.1
225.14848	10.6
251.08997	1.6
291.08719	5.7
325.11365	2.0
382.73242	1.5
404.15131	1.8
534.15289	1.3
566.21338	25.4
567.20721	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	566.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.09306	2.3
55.01854	3.2
55.05507	2.5
59.68417	2.3
61.02905	4.4
67.05502	3.0
69.03423	10.7
69.07072	2.4
70.06588	4.9
71.30987	2.9
73.02901	4.5
79.05478	3.7
81.03417	10.9
81.07061	16.0
81.32159	2.1
82.90639	2.7
85.02907	100.0
87.00819	4.5
89.10715	2.6
91.05485	13.1
92.05827	2.7
93.07030	5.1
95.04956	3.5
95.08637	5.9
97.02885	13.8
99.04454	7.1
105.01871	8.4
105.07058	13.1
107.04959	17.3
107.08593	5.5
109.02871	6.4
109.06521	5.2
109.10172	6.5
111.00789	2.3
116.07020	3.0
119.08560	11.4
121.06505	6.5
121.10132	6.9
123.08114	3.5
123.11705	68.1
124.12061	2.4
125.06032	3.3
127.03935	17.9
129.07071	2.8
131.04892	2.5
131.08554	2.7
133.04945	3.6
133.06531	2.3
137.05904	3.1
145.04951	19.4
145.06065	2.8
145.06476	2.7
145.10158	10.8
147.04434	8.5
147.11678	18.6
149.09610	5.4
151.07539	4.5
159.02815	2.7
159.08064	2.9
163.06052	4.9
163.07512	2.8
163.11206	3.5
167.07039	3.8
171.02948	3.1
175.03883	3.4
189.03981	5.1
189.12764	42.9
205.08553	3.8
207.06580	8.7
207.13817	60.2
225.07622	3.5
225.14853	15.0
229.08630	2.4
247.09712	3.3
291.08569	2.8
333.09570	2.3
337.09067	3.3
496.56754	2.6
503.17932	2.6
567.22784	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	566.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.09306	2.3
55.01854	3.2
55.05507	2.5
59.68417	2.3
61.02905	4.4
67.05502	3.0
69.03423	10.7
69.07072	2.4
70.06588	4.9
71.30987	2.9
73.02901	4.5
79.05478	3.7
81.03417	10.9
81.07061	16.0
81.32159	2.1
82.90639	2.7
85.02907	100.0
87.00819	4.5
89.10715	2.6
91.05485	13.1
92.05827	2.7
93.07030	5.1
95.04956	3.5
95.08637	5.9
97.02885	13.8
99.04454	7.1
105.01871	8.4
105.07058	13.1
107.04959	17.3
107.08593	5.5
109.02871	6.4
109.06521	5.2
109.10172	6.5
111.00789	2.3
116.07020	3.0
119.08560	11.4
121.06505	6.5
121.10132	6.9
123.08114	3.5
123.11705	68.1
124.12061	2.4
125.06032	3.3
127.03935	17.9
129.07071	2.8
131.04892	2.5
131.08554	2.7
133.04945	3.6
133.06531	2.3
137.05904	3.1
145.04951	19.4
145.06065	2.8
145.06476	2.7
145.10158	10.8
147.04434	8.5
147.11678	18.6
149.09610	5.4
151.07539	4.5
159.02815	2.7
159.08064	2.9
163.06052	4.9
163.07512	2.8
163.11206	3.5
167.07039	3.8
171.02948	3.1
175.03883	3.4
189.03981	5.1
189.12764	42.9
205.08553	3.8
207.06580	8.7
207.13817	60.2
225.07622	3.5
225.14853	15.0
229.08630	2.4
247.09712	3.3
291.08569	2.8
333.09570	2.3
337.09067	3.3
496.56754	2.6
503.17932	2.6
567.22784	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	566.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55434	1.7
55.05511	8.6
67.05517	9.8
69.07073	16.8
71.05004	6.4
71.30733	2.3
79.05499	8.1
81.07065	26.0
83.08629	9.6
85.06563	3.8
85.98888	1.8
88.00050	2.1
91.05488	13.3
93.07047	33.1
95.04945	2.9
95.08607	39.5
96.08989	2.1
97.06541	3.0
97.10190	4.7
99.04435	2.1
99.08095	5.9
105.07041	25.6
107.08595	47.0
109.06538	3.5
109.10161	26.6
111.08073	4.6
111.11771	2.8
117.87447	1.8
119.08586	74.1
120.05611	1.9
121.06530	2.8
121.10152	48.9
123.08059	4.7
123.11715	14.5
125.09642	3.7
127.07581	3.3
131.08563	4.7
133.10130	37.6
135.08063	6.0
135.11711	32.0
136.12059	2.5
137.09622	7.4
137.13232	3.7
139.07542	8.9
140.99677	2.1
145.10144	11.0
147.11687	26.8
149.09669	5.3
149.13242	9.7
151.11188	4.4
153.09087	18.3
157.10150	2.9
159.11720	7.7
161.09602	2.3
161.13263	9.0
163.11185	2.8
163.14876	6.2
165.09148	8.3
165.12746	2.6
167.10674	4.8
171.11763	2.3
173.05760	2.0
173.13298	8.3
175.14853	5.4
177.16400	34.5
178.16765	2.4
179.10646	7.5
185.13263	3.3
187.14830	14.2
189.16389	87.6
190.16742	6.2
193.12271	6.0
195.17441	6.1
199.14944	2.1
203.18037	4.1
205.15848	18.6
215.18053	2.7
223.16934	64.9
224.17342	2.4
231.17436	8.3
241.12079	3.4
249.18509	100.0
250.18950	5.4
271.13141	4.0
272.13885	7.1
273.14639	2.4
354.29523	2.4
396.38107	1.8
421.89322	1.9
425.34171	7.8
471.34213	2.1
485.36404	22.3
486.36078	2.8
503.37225	2.4
566.31378	8.8
566.39795	2.4
567.33057	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42265	2.1
51.39685	1.7
51.45339	1.6
53.03949	2.3
55.01865	2.1
55.05505	8.7
57.07082	5.0
58.09646	1.8
61.02917	2.7
67.05497	8.8
69.07078	18.0
69.34061	1.7
70.00552	5.7
71.04987	4.4
71.58439	1.7
71.58868	2.4
79.05499	10.2
81.07056	27.7
83.04999	2.6
83.08614	8.9
85.06545	6.2
91.05495	15.2
93.07051	34.4
95.04990	3.2
95.08618	44.0
95.09124	1.5
97.06530	8.3
97.10186	4.1
99.07094	1.9
99.08092	31.2
105.07035	41.0
106.07345	2.5
107.08598	78.9
108.08902	2.3
109.06495	4.7
109.10152	26.5
111.08082	7.0
113.06026	4.7
117.28315	1.8
119.08590	61.3
121.06538	3.4
121.10147	59.8
123.08057	7.8
123.11731	16.7
125.09640	5.6
127.11169	2.3
131.08582	6.5
133.10139	71.9
134.10472	4.4
135.08092	7.7
135.11696	35.9
137.09637	2.3
137.13286	2.4
137.41663	1.8
139.07538	5.7
143.08524	3.3
145.10107	18.5
147.11678	23.9
149.09621	4.8
149.13251	6.1
151.11182	19.0
153.09135	8.0
155.96275	1.9
157.10095	2.8
159.11674	4.9
159.94772	1.9
160.12479	2.0
161.09676	2.6
161.13268	16.7
163.11191	4.0
163.14825	31.2
165.09134	10.5
165.12764	5.8
171.11755	3.4
173.13295	3.8
175.11224	2.0
175.14909	4.8
177.12819	4.5
177.16383	100.0
178.16765	4.9
179.10776	3.9
181.12245	3.1
185.13240	3.8
187.14830	45.9
188.15186	3.1
189.14688	3.4
189.16393	67.0
190.16695	3.4
191.17975	3.2
193.12318	5.7
195.17464	2.4
201.16467	2.6
203.17973	4.5
205.15874	47.6
207.13507	2.1
223.16934	75.2
223.19104	3.9
224.17323	2.6
231.17503	7.8
233.15385	2.0
249.18513	56.6
250.18875	2.5
425.34308	3.8
453.33960	4.7
459.29965	2.1
471.34454	2.5
566.32068	12.7
567.33148	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	566.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	17.7
57.07081	9.5
64.78323	4.3
67.05506	26.2
69.07072	17.0
69.18533	26.3
71.05016	6.2
71.08624	5.2
77.73042	3.8
79.05483	13.0
81.07061	48.8
83.08614	10.0
85.06554	6.1
87.52525	3.4
91.05479	13.4
93.07048	30.4
95.08612	100.0
96.08939	4.5
99.04436	4.2
102.46198	3.2
105.07020	26.3
107.08586	34.3
109.06513	3.9
109.10168	47.5
110.38728	3.7
111.08103	5.2
111.11722	3.9
111.46765	3.5
112.12401	3.8
116.56227	3.9
119.08556	38.8
121.10141	28.2
122.10465	5.2
123.08067	3.8
123.11709	47.1
131.08580	11.4
133.10132	31.3
135.08047	8.0
135.10847	4.5
135.11702	26.6
137.09589	7.8
137.13228	14.9
143.08528	5.3
145.10130	20.8
147.08092	8.2
147.11742	18.8
149.09714	5.8
149.13257	13.7
151.14806	29.7
157.10110	9.2
159.11717	14.6
161.09607	4.7
161.13297	15.2
163.14830	5.5
171.11708	13.4
173.09683	4.4
173.13309	18.5
175.11298	4.1
175.14847	8.2
177.16403	12.2
179.14278	6.6
183.11671	4.3
185.13193	8.7
187.14838	11.5
189.16418	26.5
197.13460	6.7
197.15361	83.8
199.11247	5.9
199.14818	7.7
203.23244	3.5
207.17442	6.1
209.15356	4.2
211.14848	4.3
215.17928	12.8
217.15871	4.7
225.39268	3.9
233.15350	4.6
239.17978	4.1
241.15889	3.7
241.19568	6.3
257.18997	4.4
259.17056	6.9
275.20090	16.2
285.18491	16.3
287.20242	5.7
293.21216	6.5
299.19919	5.4
325.21686	5.5
379.30063	6.3
421.31073	16.3
439.31985	11.4
471.34314	5.5
485.36243	4.2
499.34088	5.4
566.32349	7.9
567.32788	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61154	5.7
53.03953	5.5
55.01866	7.5
55.05515	23.8
57.07074	5.2
59.05012	6.8
63.68964	5.3
67.05515	41.6
69.03418	7.1
69.07070	51.9
71.05003	8.1
79.05499	29.6
81.03416	5.8
81.07059	78.5
81.74622	4.9
82.07391	6.4
83.08633	13.3
85.06555	8.5
90.55531	6.4
91.05499	35.8
93.07048	45.0
94.07368	7.2
95.04956	6.1
95.08615	98.6
97.06532	15.7
97.10179	11.7
99.08084	16.4
103.05445	7.5
104.10740	5.9
105.07031	46.8
107.08604	74.4
108.08983	6.8
109.06516	14.7
109.10171	90.3
110.86400	5.7
111.08069	13.7
111.11731	7.9
113.83893	5.3
117.07063	10.0
119.08589	57.4
120.08901	6.6
121.06476	12.1
121.10157	59.2
121.52425	6.1
122.07299	6.0
122.10490	6.5
123.08089	25.3
123.11715	48.6
124.99908	5.6
125.05999	12.3
125.09641	13.4
127.07562	6.1
128.06302	5.7
131.08571	22.7
133.06590	5.9
133.10159	51.2
134.10521	7.4
135.08073	10.4
135.11681	34.8
136.12021	6.0
137.05991	15.6
137.09628	8.8
137.13251	20.2
137.37836	6.0
139.07597	8.3
142.07809	6.7
143.08553	18.0
145.10138	34.5
147.08043	17.0
147.11713	20.5
147.15022	6.2
149.09682	14.7
149.13318	10.4
151.07629	12.2
151.11214	7.4
155.08614	7.1
156.09325	7.3
157.10138	20.9
159.08049	7.8
159.11700	19.1
161.06035	17.5
161.09625	10.4
161.13284	16.3
163.07596	35.1
163.11185	9.4
163.14796	13.2
169.10158	11.4
171.08002	6.1
171.11720	20.2
173.09633	11.2
173.13266	15.9
175.07574	10.6
175.11188	11.0
175.14824	12.1
176.08386	7.3
177.09135	9.1
177.12680	6.2
177.16522	10.3
181.10002	6.0
181.12242	8.1
183.11697	9.9
185.13300	7.4
185.17009	5.6
187.14816	12.5
188.08372	9.2
189.09145	9.7
189.12814	9.0
191.10631	15.6
193.10017	7.4
195.11681	9.9
199.11264	9.3
201.16451	9.9
202.09882	9.1
203.14415	7.8
203.17987	9.0
205.12233	18.0
205.19495	17.9
215.18059	6.3
217.12291	67.8
219.13847	10.4
223.14789	7.3
231.13776	13.5
235.13258	7.7
251.12883	10.3
259.16855	6.9
273.18582	14.0
311.15060	26.9
325.16592	6.5
405.96729	6.1
419.33109	9.8
437.34137	44.9
455.34885	13.4
471.34808	10.6
489.35617	15.6
531.36914	14.9
566.40771	28.4
567.31891	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
56.05039	10.3
61.01155	10.3
65.03943	1.1
67.05510	0.9
69.03419	0.8
69.48766	0.5
69.50484	1.7
69.50893	1.8
70.02954	0.7
70.06599	0.7
74.02279	0.6
79.05523	0.9
82.90302	0.6
85.02908	0.8
86.09708	100.0
87.10052	1.1
87.76862	0.6
88.03990	10.6
90.18089	0.6
91.05480	2.7
94.04192	1.1
95.04971	1.2
95.08595	0.8
97.02883	1.3
98.02406	0.7
98.06058	8.2
99.04469	0.7
100.11237	0.7
103.05484	1.5
104.05332	23.0
105.07021	1.3
107.04958	1.4
110.03600	0.7
111.04447	0.8
115.31245	0.6
119.04969	0.7
120.08115	7.1
121.06483	1.0
122.03702	0.9
123.04428	1.7
131.04929	1.5
133.02878	0.8
133.06482	1.0
133.10196	0.7
137.05981	10.9
141.10258	1.5
146.06348	25.7
149.05986	2.3
151.03934	1.1
151.07549	1.5
153.05449	0.7
156.10225	1.4
161.05997	1.6
163.07611	0.8
166.08661	3.5
167.07027	6.7
168.07408	0.8
171.06509	1.0
174.05843	20.0
175.07571	2.7
177.05406	5.6
179.75833	0.7
181.04967	9.3
181.06467	1.1
181.08434	0.7
183.11299	1.7
187.07568	1.0
191.07005	1.3
199.47206	0.6
201.12366	13.7
207.06384	1.0
209.08107	9.5
210.08473	0.7
210.14555	0.8
219.10249	0.7
229.11900	4.9
241.46066	0.6
248.08417	0.7
279.16998	3.4
289.08527	22.6
290.09094	0.8
293.07941	0.6
297.11179	0.6
307.09384	0.6
311.12756	1.6
365.13828	0.8
374.17532	2.7
383.15085	1.6
402.16663	1.0
411.73163	0.8
519.20062	1.4
535.58630	0.6
567.22552	2.2
568.73541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.21069	0.8
55.01871	9.7
57.03429	3.8
59.04989	1.4
61.02927	1.1
65.03939	1.5
67.05501	10.6
69.03434	1.5
70.06584	1.1
71.01347	1.2
71.04994	4.4
71.30944	1.2
73.02902	2.3
79.05484	8.1
81.03414	2.0
81.07043	3.7
83.01337	3.7
83.04987	0.9
85.02897	8.4
87.00810	1.8
87.04456	3.0
91.05477	46.2
93.07033	15.4
95.04961	15.3
95.08603	10.6
97.02900	1.7
99.04453	1.6
101.02396	3.8
101.06031	1.0
103.05459	4.1
105.07024	33.6
107.04969	3.1
107.08592	1.9
109.02869	1.2
109.06532	1.9
109.10166	5.3
111.00787	3.1
115.03905	5.3
115.05482	2.0
117.07017	13.1
119.03428	1.4
119.08573	100.0
120.08090	3.4
120.08899	2.6
121.06500	3.5
121.10156	2.1
123.08060	35.9
124.08415	1.7
127.03953	1.8
129.01849	5.6
129.06998	3.2
131.04889	1.4
131.08588	5.0
132.05659	1.2
133.10141	1.3
135.08070	0.9
137.05986	1.7
137.09607	27.5
138.09122	5.0
139.09453	1.3
143.03407	4.5
143.08598	1.1
145.05054	1.2
145.06456	1.5
147.08035	42.1
147.11755	0.8
149.09619	1.3
157.01329	3.1
159.02896	0.9
159.08080	1.5
161.04492	2.7
163.07346	0.9
165.09108	79.1
166.09544	1.8
171.02879	2.7
171.08083	1.1
175.07574	1.3
180.10182	1.2
185.05980	1.6
187.07431	0.9
188.08292	0.9
189.03937	15.7
191.14363	1.4
207.04919	2.0
209.15442	1.1
215.07033	1.5
231.04945	7.7
233.08284	0.9
243.04956	6.3
285.05890	1.1
335.11249	9.3
353.12271	16.7
354.12573	1.5
371.13412	1.2
374.14465	1.0
378.17377	2.0
406.16937	1.9
472.13461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01870	1.5
57.03435	1.5
61.02907	2.2
68.58639	1.2
69.03429	2.7
70.06590	6.3
71.04965	1.1
78.04681	1.7
79.05492	7.1
81.03419	2.1
84.08130	1.0
85.02900	9.5
86.09693	1.5
91.05475	6.2
95.04966	2.0
97.02904	3.7
103.05451	3.2
103.26302	1.0
105.07021	8.9
107.04955	11.2
109.02892	1.5
113.36716	1.0
114.15729	1.1
115.05454	3.7
117.07036	1.8
119.08613	1.3
120.08139	1.4
121.06512	2.6
123.04420	3.7
124.05214	2.6
127.03931	1.4
128.06209	2.8
129.07005	17.6
129.07889	1.6
131.04922	4.2
131.08591	2.4
132.05742	1.0
133.06488	7.9
137.05998	4.5
141.07034	1.1
144.05673	1.9
145.04982	2.8
145.06465	2.5
147.04411	1.6
147.08101	2.1
149.05956	1.2
151.03908	1.8
152.04744	2.4
153.05505	3.3
155.04915	3.3
155.07060	2.2
156.05751	1.5
157.06450	1.7
159.08055	10.5
161.05988	18.2
167.07036	72.6
168.07370	2.6
172.05244	2.5
175.07552	13.7
177.05426	2.4
178.07817	3.4
179.07028	2.9
180.08757	1.6
181.06512	1.3
181.08484	1.2
187.07535	39.1
188.07912	1.8
189.06984	2.1
189.09052	1.7
190.07837	1.7
191.07007	4.2
191.08566	2.5
193.08566	2.0
193.10121	2.1
199.07532	3.8
201.08842	1.4
202.07822	3.8
203.08556	4.0
205.06487	2.0
206.07257	6.1
207.07957	1.8
215.08720	1.3
217.06425	1.1
217.08603	1.5
218.07207	2.2
219.08109	3.8
220.08844	4.0
221.09621	9.6
223.07513	1.4
231.08041	2.9
233.09625	3.4
234.06746	7.7
235.07501	3.6
246.06705	1.4
247.07503	2.3
248.08319	2.1
249.09094	15.1
250.09814	2.4
251.07010	6.2
260.08237	1.4
261.09103	1.3
261.72147	1.2
262.06265	1.2
263.07144	1.4
263.10632	1.2
265.08627	2.8
266.09369	4.2
277.08636	8.2
278.09448	1.6
280.07257	1.4
281.11688	40.5
282.11960	2.4
289.08514	2.2
294.08701	5.1
295.09735	1.6
309.11206	42.9
310.11655	3.5
311.09161	1.8
321.11298	2.9
326.11462	2.7
327.12027	1.2
329.23080	1.3
341.13831	100.0
342.14191	7.6
353.13751	9.4
359.14932	1.7
476.56995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.8
53.03941	1.8
55.01882	2.3
57.03444	1.0
60.04503	0.8
69.03431	2.1
69.07084	1.1
70.06569	1.2
70.35007	1.4
70.35326	1.0
71.05008	0.9
73.02889	1.0
74.54702	0.9
76.66261	0.8
78.04704	2.2
79.05494	6.0
80.89214	0.9
81.03411	2.0
81.07067	1.6
84.08144	2.9
85.02913	6.5
86.09709	2.0
88.38889	0.8
91.05495	9.0
93.07034	4.0
95.04960	2.6
95.08629	1.6
97.02885	2.9
97.06524	0.9
98.23257	0.9
103.05477	1.4
105.03393	0.8
105.07037	5.0
106.04198	2.0
107.04952	5.8
107.08596	3.5
109.02879	2.1
109.06481	1.1
109.10172	0.8
115.05447	2.1
117.07001	2.7
119.02715	0.8
119.04923	3.8
119.08573	6.3
120.08101	0.9
121.06509	1.7
121.10146	2.6
123.04424	5.4
124.05244	2.0
127.03915	2.1
129.07013	4.3
129.10231	1.3
131.04907	2.9
132.05750	1.8
133.06480	3.0
135.08084	0.8
136.05165	1.2
137.05997	3.2
143.06985	1.0
144.05774	0.9
145.04945	1.6
145.06500	2.9
147.04460	1.2
147.08057	9.1
149.06023	1.2
149.09624	4.1
151.03955	1.7
151.07544	3.2
152.04683	2.5
153.05435	1.7
157.06511	1.5
159.08058	4.1
159.09242	0.8
160.05164	1.2
161.05992	7.9
163.07478	1.8
165.09109	1.3
167.07048	100.0
168.07359	3.5
175.07552	22.1
176.04767	0.9
177.05424	1.4
177.08897	1.1
179.07037	11.4
180.08752	1.2
187.07556	11.4
189.09085	1.0
191.05508	1.3
191.07051	10.9
191.14120	1.0
193.08617	3.3
199.07564	3.4
203.08560	1.4
205.08569	5.2
206.07280	1.3
209.08076	1.3
217.08670	3.5
219.08020	1.3
219.70995	0.9
221.09700	1.5
230.05930	2.0
233.09668	0.9
234.06787	2.0
235.07545	1.4
237.09180	0.8
249.09128	2.7
251.07118	0.9
252.74352	0.8
261.09088	1.6
263.07101	1.3
277.08505	2.0
281.11752	3.3
282.77972	1.0
287.05380	1.4
289.08594	1.0
293.11652	1.0
295.09622	1.1
306.09000	1.0
307.09784	1.4
309.11230	5.4
321.11142	3.0
326.11392	2.4
339.12344	1.6
341.13867	15.9
341.17816	1.7
342.13962	1.5
344.12384	1.4
353.13681	7.0
359.14938	8.1
371.14877	8.1
392.71094	1.0
490.84290	0.8
546.65076	0.8
568.30536	1.7
568.81445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.9
53.43403	1.0
55.01861	1.2
55.05515	1.2
69.03410	1.0
70.06590	3.6
70.35440	3.6
78.04697	1.1
79.05510	6.0
81.07054	2.1
84.08161	1.5
85.02895	6.2
91.05495	5.4
95.04994	2.6
97.02914	1.3
100.11249	1.6
103.05474	3.3
105.07037	4.6
106.04176	3.3
107.04975	9.1
108.29605	1.0
115.05415	2.8
117.07040	2.6
119.04971	1.9
119.08565	1.6
121.06510	1.4
123.04442	3.3
124.05209	3.0
128.06224	2.6
129.07021	8.4
130.04111	1.1
131.04922	2.0
131.08528	1.7
133.06476	7.0
134.03636	1.2
137.05981	6.4
144.05666	1.4
145.06467	3.9
147.04431	1.5
147.08014	2.2
151.03867	1.4
151.07553	2.1
152.04692	3.5
153.05518	2.7
155.04883	1.3
155.07039	1.7
159.08060	7.9
160.05243	2.4
161.05956	10.0
167.07047	100.0
168.07407	2.4
172.05229	1.5
172.46988	1.2
173.05951	3.3
175.07547	25.1
177.05589	1.6
177.09215	1.4
178.07751	1.8
179.07048	8.9
179.08516	1.9
181.08746	1.2
187.07549	22.9
189.09081	2.4
190.06267	2.0
191.07011	8.8
191.08551	1.5
193.08636	2.7
199.07542	4.5
203.08681	1.2
205.06798	1.6
205.08566	7.6
206.07312	2.4
208.86490	1.2
209.08043	2.2
217.06706	1.8
217.08656	5.1
218.07281	2.4
219.08076	2.9
221.09584	4.8
223.09729	1.3
231.08002	1.6
234.06693	2.5
235.07500	2.4
235.09644	2.6
246.06723	1.1
249.09047	6.0
250.09914	1.6
251.06981	2.3
261.09262	2.5
263.07144	1.5
265.08426	1.6
265.10928	1.8
266.09351	2.1
277.08694	2.1
278.09415	1.9
279.06708	1.3
281.11774	10.8
289.08774	1.3
293.11560	1.6
294.08624	1.1
295.09579	1.5
306.08780	1.7
307.09482	2.2
309.11218	12.1
310.11795	2.2
321.11035	6.1
326.11438	3.3
341.13855	37.1
353.13733	9.2
359.14868	5.1
371.14874	7.8
372.14450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	2.6
61.02930	6.6
65.03937	3.6
67.05520	3.3
69.03437	6.8
70.28248	2.3
71.04975	3.7
71.31408	2.9
74.09713	2.4
79.05493	6.3
79.54334	2.2
81.03416	10.4
81.07046	5.8
85.02898	14.2
91.05458	7.3
91.30932	2.5
91.65717	2.2
93.07026	5.0
94.04191	2.3
95.04967	6.9
95.08630	4.1
95.20706	2.2
97.02908	7.2
103.05476	4.1
105.07017	6.6
107.04962	7.3
107.08624	5.8
109.06441	3.4
109.10116	3.4
111.04452	2.3
111.25034	2.3
115.05457	12.1
117.06989	12.8
119.04937	3.8
119.08554	3.3
120.08100	3.6
121.06539	3.5
122.03665	8.8
123.04387	2.7
123.93703	2.5
124.05190	3.3
127.03915	6.0
128.06210	3.3
129.07019	8.4
131.04935	6.4
131.08556	3.3
135.11760	2.9
137.05980	94.5
143.04854	5.5
144.05670	6.4
145.06502	27.7
145.10147	2.6
147.04367	3.5
147.08083	4.5
155.06075	4.2
156.05679	6.0
157.06494	7.5
159.08075	7.1
160.05211	16.2
161.06000	9.1
163.05867	2.4
163.07550	3.6
167.07057	43.9
172.05296	2.9
173.05977	41.9
174.06688	4.7
175.07545	100.0
180.08737	4.5
183.06645	2.5
184.05228	3.4
187.07553	37.9
189.09167	8.2
190.06241	19.2
193.08754	3.7
202.06181	3.4
203.07031	4.8
205.08611	87.5
217.08572	35.3
234.06729	2.5
235.09642	41.4
243.08922	2.9
244.09663	3.6
247.09708	6.4
249.09157	4.2
261.09088	5.3
265.10757	19.5
285.07574	5.1
293.11716	5.7
300.09982	7.1
301.10672	3.8
309.11115	6.6
321.11282	5.7
341.13882	13.0
353.13892	11.1
371.14932	22.0
378.15308	3.7
383.79510	2.7
482.54590	2.5
568.28992	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	568.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01859	2.3
55.05515	3.0
57.03442	3.2
57.07074	1.9
59.64779	0.9
60.43487	0.8
61.02929	5.0
65.03909	1.2
67.05501	10.1
69.03432	13.0
69.07078	4.5
69.55351	1.8
69.55756	3.8
70.06590	3.4
71.04992	7.8
73.02926	3.3
78.64200	1.0
79.05496	8.1
81.03408	5.3
81.07062	8.1
83.04974	5.2
83.08591	1.2
85.02905	56.8
85.06541	41.4
87.04473	2.0
91.03943	2.5
91.05483	8.0
93.07035	10.6
94.55943	0.9
95.04966	10.5
95.08611	3.8
97.02893	15.3
97.06535	2.2
99.04483	3.5
99.08079	1.2
100.74816	1.0
105.07021	10.4
105.07581	1.1
107.04953	7.2
107.08596	16.4
109.02887	5.8
109.06542	7.2
109.10147	5.7
111.04465	4.7
111.08093	1.0
117.07049	3.6
119.08585	16.7
121.06490	7.2
121.10122	14.6
123.04415	12.1
123.08081	2.3
123.11694	3.6
125.05999	3.5
125.09632	1.3
127.03911	13.2
129.07022	2.8
131.04890	1.2
131.08565	31.4
133.10129	12.7
135.08063	4.1
135.11691	4.5
137.06001	2.9
137.09645	3.3
139.11154	1.5
145.04948	17.6
145.10120	14.9
146.06061	1.1
147.04478	1.4
147.08086	2.5
147.11649	5.3
149.05965	2.2
149.09622	23.5
149.13260	4.0
151.03938	2.1
151.11244	2.8
153.05475	2.0
153.09192	1.9
158.10928	1.3
163.06087	5.2
163.07448	1.2
163.11151	8.6
163.14839	2.5
165.05511	9.3
165.09093	4.9
165.12721	1.7
167.07086	1.9
167.10667	17.5
167.14383	1.5
173.09688	2.2
173.13234	12.1
175.14825	16.1
176.15167	1.7
179.10689	1.2
191.10666	33.1
191.14322	11.7
197.11754	2.2
209.11729	43.1
209.15291	13.2
210.12105	1.1
217.15439	1.0
227.12775	100.0
227.16080	9.1
227.26100	0.9
228.13161	3.4
273.65314	1.0
293.43762	0.9
353.08728	4.2
371.09821	3.0
451.80060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01859	2.3
55.05515	3.0
57.03442	3.2
57.07074	1.9
59.64779	0.9
60.43487	0.8
61.02929	5.0
65.03909	1.2
67.05501	10.1
69.03432	13.0
69.07078	4.5
69.55351	1.8
69.55756	3.8
70.06590	3.4
71.04992	7.8
73.02926	3.3
78.64200	1.0
79.05496	8.1
81.03408	5.3
81.07062	8.1
83.04974	5.2
83.08591	1.2
85.02905	56.8
85.06541	41.4
87.04473	2.0
91.03943	2.5
91.05483	8.0
93.07035	10.6
94.55943	0.9
95.04966	10.5
95.08611	3.8
97.02893	15.3
97.06535	2.2
99.04483	3.5
99.08079	1.2
100.74816	1.0
105.07021	10.4
105.07581	1.1
107.04953	7.2
107.08596	16.4
109.02887	5.8
109.06542	7.2
109.10147	5.7
111.04465	4.7
111.08093	1.0
117.07049	3.6
119.08585	16.7
121.06490	7.2
121.10122	14.6
123.04415	12.1
123.08081	2.3
123.11694	3.6
125.05999	3.5
125.09632	1.3
127.03911	13.2
129.07022	2.8
131.04890	1.2
131.08565	31.4
133.10129	12.7
135.08063	4.1
135.11691	4.5
137.06001	2.9
137.09645	3.3
139.11154	1.5
145.04948	17.6
145.10120	14.9
146.06061	1.1
147.04478	1.4
147.08086	2.5
147.11649	5.3
149.05965	2.2
149.09622	23.5
149.13260	4.0
151.03938	2.1
151.11244	2.8
153.05475	2.0
153.09192	1.9
158.10928	1.3
163.06087	5.2
163.07448	1.2
163.11151	8.6
163.14839	2.5
165.05511	9.3
165.09093	4.9
165.12721	1.7
167.07086	1.9
167.10667	17.5
167.14383	1.5
173.09688	2.2
173.13234	12.1
175.14825	16.1
176.15167	1.7
179.10689	1.2
191.10666	33.1
191.14322	11.7
197.11754	2.2
209.11729	43.1
209.15291	13.2
210.12105	1.1
217.15439	1.0
227.12775	100.0
227.16080	9.1
227.26100	0.9
228.13161	3.4
273.65314	1.0
293.43762	0.9
353.08728	4.2
371.09821	3.0
451.80060	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01872	1.9
55.05502	2.4
57.03437	1.8
57.07068	2.0
57.23285	0.7
59.04970	0.8
61.02924	1.7
65.03942	0.9
67.05515	4.4
67.88345	0.7
69.03432	10.6
69.07069	5.1
70.06585	1.7
71.04994	2.3
71.30811	0.7
71.31187	0.9
73.02922	0.9
74.92224	0.7
77.70034	0.6
79.05493	5.5
81.03424	2.1
81.07057	10.2
83.04985	1.2
83.08609	1.3
85.02903	18.5
85.06541	3.4
87.04446	0.9
91.03927	1.0
91.05489	13.0
91.87332	0.8
92.05777	0.9
93.07045	11.2
95.04958	2.4
95.08606	8.6
97.02888	4.5
97.06542	1.5
99.04447	1.3
103.05466	0.8
105.07029	21.5
106.07340	0.8
107.04960	3.2
107.08595	16.2
109.02867	2.2
109.06481	1.2
109.10147	5.0
111.04453	1.0
111.08099	1.0
116.06252	0.8
117.07045	6.2
119.08580	28.9
120.08923	1.0
121.02943	0.8
121.06461	1.4
121.10144	7.9
123.04440	3.6
123.08067	1.5
123.11707	3.5
127.03897	3.2
128.06215	1.0
129.07005	2.9
130.07780	2.8
131.08571	49.2
132.08902	1.6
133.10132	21.1
134.10544	1.0
135.08041	3.7
135.11717	2.8
137.05965	5.8
143.08569	4.6
144.09334	2.1
145.04922	3.6
145.10109	14.7
147.11674	8.5
149.05994	1.1
149.09619	1.6
149.13269	2.3
151.03894	2.0
158.10870	7.0
159.11603	1.0
161.13268	3.1
163.06046	1.4
163.14861	2.2
165.05432	1.9
167.07080	1.4
171.11617	1.3
173.13263	100.0
174.13580	4.2
175.07520	0.9
175.14825	53.4
176.15137	2.8
179.07088	4.8
191.14311	42.6
192.14694	1.6
193.15894	3.1
209.11760	2.3
209.15376	1.8
213.12459	0.8
227.12769	4.8
313.72696	0.7
353.08588	2.6
451.35684	0.8
568.19562	1.7
569.17993	2.3
569.26453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31881	1.5
53.03948	2.5
55.01883	2.7
55.05504	5.4
57.03447	2.6
60.04536	4.3
61.02924	2.1
67.05495	5.8
69.03428	17.2
69.07061	12.5
69.17729	9.1
69.18149	3.3
70.06593	4.3
73.02924	1.7
79.05489	5.0
81.03426	2.8
81.07056	5.7
83.04965	2.6
83.08635	2.4
84.08125	2.3
85.02900	23.9
85.06562	8.3
85.06996	1.9
91.05470	11.4
93.07059	6.3
94.04189	1.4
95.04986	2.8
95.08625	3.1
97.02889	7.5
99.04469	2.1
105.07030	17.9
107.04946	11.5
107.08575	12.1
109.02855	1.6
109.06519	2.1
109.10152	2.4
110.07167	3.5
115.05506	2.1
117.07012	2.7
119.08582	50.4
121.06512	2.5
121.10139	9.1
122.03648	1.9
123.04450	6.7
123.11742	3.9
125.09669	4.0
127.03919	6.4
128.06161	1.9
129.07011	3.2
131.04938	2.0
131.08572	21.0
132.06535	2.4
133.10121	35.6
135.08084	1.5
135.11720	2.7
137.05972	64.7
138.06378	3.0
143.08545	9.3
145.04968	7.9
145.10092	13.2
147.04439	4.4
147.11685	7.0
148.36551	1.6
149.05980	1.8
149.09624	7.4
149.13193	1.6
151.03937	4.6
153.09093	1.7
158.10910	9.3
163.11284	2.2
165.05435	3.0
166.08667	2.7
167.06999	2.5
167.10684	2.3
173.13263	48.6
175.14824	100.0
176.15121	3.9
179.07043	48.7
183.06569	1.6
191.10712	6.0
191.14302	27.7
192.14760	1.9
209.08061	1.9
209.11710	9.0
209.15355	15.5
227.09337	2.0
227.12808	16.2
227.16339	1.7
299.05908	1.6
326.99487	1.6
353.08795	8.5
371.09521	10.4
376.90244	1.5
406.14847	4.3
568.20135	4.6
569.14557	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.05522	9.5
57.03436	6.3
61.02936	4.9
62.22009	3.0
67.05518	10.6
69.03446	12.4
69.07070	7.4
70.06596	19.7
79.05511	9.2
81.03441	4.0
81.07059	26.9
83.04971	13.0
83.08646	9.9
84.04519	3.1
84.08151	4.3
85.02901	30.8
85.06559	7.4
86.09734	5.7
91.05467	15.7
93.07039	18.2
95.04976	36.7
95.05476	3.5
95.08596	13.7
97.02922	11.9
97.06557	11.0
99.04478	7.0
105.07019	33.8
107.08588	30.3
109.06533	24.2
109.10149	42.5
111.08154	4.7
111.26213	2.6
117.07073	3.6
119.08585	34.0
121.06544	4.8
121.10159	27.1
123.08100	5.9
123.11742	3.7
127.03977	8.4
127.08705	5.4
131.08569	22.9
133.10126	62.4
135.08095	11.6
135.11711	17.1
137.06050	6.2
139.11215	5.4
143.08565	4.4
145.05014	8.9
145.10173	6.5
146.06009	3.3
147.11687	19.6
149.06038	3.3
149.09677	4.6
149.13278	19.4
151.11220	8.3
153.09109	15.5
158.11008	4.1
163.11182	3.0
165.12781	3.2
167.07082	4.2
167.14308	6.1
173.13271	47.8
175.14822	100.0
176.15170	3.6
181.04999	4.0
191.14302	42.1
191.15756	3.7
192.14616	4.0
209.11809	5.6
209.15367	59.7
227.12808	9.6
227.16370	22.9
227.18056	2.5
248.26688	3.1
265.08667	3.3
273.11160	8.7
305.98587	3.3
345.33401	2.7
470.26312	4.9
569.33704	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	568.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07861	3.9
52.27043	3.4
55.01855	8.1
55.05502	10.4
57.03439	5.9
61.02910	6.7
61.14098	3.6
67.05495	11.4
68.44476	4.0
69.03419	27.0
69.07061	12.3
69.28065	25.3
70.06583	9.3
79.05490	9.2
81.03416	8.5
81.07054	25.0
83.04975	34.0
83.08606	10.2
85.02906	100.0
91.03981	4.9
91.05456	13.2
93.07056	19.0
95.04969	71.6
95.08604	12.4
95.84793	4.2
97.02882	30.2
97.06525	6.4
99.04445	10.2
105.07026	19.7
107.08603	26.7
108.18083	4.0
109.02880	7.6
109.06510	23.8
109.10152	28.1
110.07165	5.9
111.08091	7.6
119.08585	9.9
119.09517	4.3
121.10163	31.8
123.08060	5.6
125.09656	5.4
127.03914	17.4
131.08546	12.9
133.10133	44.6
133.98933	5.0
135.08063	22.8
135.11703	12.4
139.11171	8.6
145.04945	33.0
145.10173	6.8
147.11664	8.9
149.13260	16.7
151.11215	8.7
153.09100	17.3
163.05994	11.0
163.14786	13.1
167.14311	16.2
173.13269	34.8
181.04843	5.8
191.14302	55.7
201.53770	4.1
209.15388	84.8
227.16434	4.9
244.09752	9.9
270.83350	4.0
294.22418	4.1
332.15143	3.8
353.19608	4.7
564.92468	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.6
57.07085	12.7
67.05499	30.2
69.07056	19.0
69.25308	19.2
69.25710	45.2
79.05508	20.5
81.07060	48.5
82.80981	8.1
91.05508	23.3
93.07046	34.8
95.08595	76.6
105.07038	32.1
107.08608	79.6
109.10136	50.0
117.07047	10.1
117.60805	9.3
119.08566	52.8
121.10145	100.0
121.15784	12.5
123.08089	17.0
123.11720	27.7
125.09695	10.5
129.12042	8.9
131.08606	18.6
133.10143	38.7
135.08102	8.4
135.11693	55.0
137.09570	11.4
145.10156	36.8
147.11722	35.2
149.13309	16.4
157.10260	11.4
159.11732	33.1
161.13278	33.2
163.11182	11.7
165.12801	31.4
171.11728	11.9
173.13280	24.2
175.11220	9.9
175.14903	17.2
181.12230	13.9
183.11656	11.3
185.13237	11.3
187.14825	13.2
189.16385	26.7
199.14906	14.0
199.79347	9.3
201.16435	52.2
203.17966	32.7
208.12804	11.8
219.13785	10.3
219.17357	25.0
241.19727	9.9
255.21117	16.9
291.19366	10.7
367.76010	8.7
381.31793	10.7
409.30933	34.7
427.32190	65.0
434.14261	9.2
455.31708	15.8
469.33298	19.9
473.32639	31.5
487.33994	32.0
515.33643	11.5
568.33636	53.4
569.32306	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
53.03941	4.4
55.05511	12.4
57.07080	10.3
59.04998	2.7
59.53778	1.5
65.03950	3.9
67.05508	19.8
69.03423	2.7
69.07066	15.6
69.18948	9.2
69.83704	1.4
70.06582	3.3
71.08625	3.9
79.05499	26.3
80.06275	1.8
81.07063	36.9
83.04994	2.6
83.08616	5.8
85.06527	4.0
85.10158	1.7
88.07637	4.5
91.05486	48.1
92.06264	2.1
93.07051	57.6
94.07831	1.8
95.04973	45.1
95.08616	31.8
95.09222	1.5
97.06528	1.8
102.09175	3.5
103.05485	3.7
103.65325	1.5
105.04549	2.4
105.07034	93.6
106.07821	4.2
107.08601	45.5
107.09156	1.0
108.09439	1.6
109.06516	4.5
109.10152	18.1
111.08047	1.7
115.05436	6.2
116.06229	2.0
117.07027	30.0
118.07849	1.5
119.08585	100.0
120.09435	8.9
121.06521	2.3
121.10151	30.7
123.08057	13.1
123.11702	8.4
125.09627	1.7
128.06230	12.9
129.07011	22.3
130.07813	11.1
131.08569	49.8
132.09392	9.1
133.10138	49.3
133.10867	1.0
133.11163	1.7
134.10876	4.4
135.08051	6.5
135.11719	16.8
137.09628	5.6
138.10400	7.0
139.11218	1.7
141.06996	7.9
142.07779	20.1
143.08575	49.7
144.09363	15.3
145.10124	91.7
146.10722	3.2
147.08029	2.7
147.11696	25.7
149.09569	5.5
149.13258	3.4
151.11145	2.5
153.07088	3.3
154.07759	2.8
155.08569	16.9
156.09348	18.9
157.10133	51.3
158.10910	12.2
159.08081	1.8
159.11705	36.8
161.09671	5.8
161.13255	5.8
163.11121	3.0
165.07004	5.0
166.07700	2.0
167.08594	8.5
168.09329	7.4
169.10136	27.8
170.10950	7.5
171.11682	30.7
172.12447	5.8
173.13274	27.1
174.13892	2.0
175.14847	16.9
177.12778	5.2
179.08600	7.4
180.09384	3.1
181.10106	17.4
182.10957	8.8
183.11703	28.4
184.12447	3.7
184.24786	1.5
185.13258	23.0
186.14064	7.0
187.14806	13.5
189.12802	2.2
191.08540	1.5
191.14307	10.5
192.09325	2.8
192.15092	2.6
193.10103	8.2
194.10991	8.4
195.11725	18.5
196.12456	11.2
197.13263	23.6
198.13942	4.8
199.14824	12.4
201.12715	2.8
201.16402	6.4
203.14297	3.7
205.15779	1.8
206.10873	5.3
207.11682	8.5
208.12498	5.7
209.13261	24.2
210.13956	4.0
211.14783	13.7
212.15404	2.1
213.16391	5.1
215.14401	1.9
216.72940	1.6
217.15839	8.0
219.11703	3.2
219.17441	3.5
220.12415	2.9
221.13257	7.1
222.14085	2.7
223.14847	12.1
224.15482	3.8
225.16331	7.8
226.17212	2.7
227.17931	3.0
231.11603	1.9
231.17467	3.3
232.12468	2.0
233.13455	2.5
234.14038	1.6
235.14809	6.4
237.16414	7.9
238.16849	1.8
239.17937	6.1
240.18648	1.7
241.19481	2.0
245.13446	2.0
247.14861	3.0
248.15454	1.6
249.16444	6.2
251.17966	4.7
253.19463	1.6
255.17403	2.6
257.19012	1.8
259.14880	1.6
259.20532	2.7
261.16412	2.2
263.17947	3.4
264.18634	2.3
265.19537	5.1
270.19806	1.9
275.17950	2.9
277.19565	2.7
279.21033	1.7
283.20578	3.7
284.29520	9.0
285.22296	2.6
291.21112	2.0
297.22089	4.3
301.19540	1.5
303.21292	1.8
305.19006	1.5
305.22571	3.1
310.23242	1.7
311.29364	6.8
312.32538	2.6
316.52679	1.5
323.23712	7.0
337.25293	1.9
338.26056	35.0
339.26401	3.3
350.26093	1.6
351.26697	2.4
415.30096	2.3
419.70175	1.7
430.32147	13.3
476.36539	14.2
480.40396	1.4
568.43024	18.3
568.56500	28.2
569.32690	1.9
569.42010	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	569.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47224	1.8
69.42995	1.6
79.05438	2.2
81.07040	2.2
83.04959	2.2
88.61303	1.8
93.07005	3.2
95.08579	3.6
99.04362	1.8
105.06998	4.0
107.08527	2.4
109.10116	1.9
119.08524	4.9
121.10082	6.4
123.07993	6.5
123.11729	2.1
133.10086	2.2
135.08080	2.4
135.11629	2.4
145.10025	3.0
147.07857	2.0
302.82724	1.7
325.59686	2.0
327.22760	1.9
433.72311	1.8
520.12262	2.1
551.27759	3.7
569.26752	100.0
570.27063	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	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
58.50011	0.2
69.53086	1.4
81.07064	0.3
82.39057	0.2
83.05001	0.4
96.37537	0.3
97.06548	0.3
107.08614	0.3
120.08142	0.4
185.04308	1.1
201.03734	0.5
203.05328	0.6
237.00870	0.3
259.08041	0.7
275.07462	0.4
309.78146	0.3
331.09970	2.1
345.11646	0.7
365.10574	1.4
373.14835	0.3
387.16455	0.5
407.24072	1.1
431.18802	1.1
445.20755	0.4
459.21887	1.5
461.19934	0.6
483.22083	0.8
511.25543	0.3
569.29352	100.0
570.29718	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	569.3447
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
55.05507	0.3
67.05515	0.4
69.07082	0.4
69.26790	0.5
69.27177	1.8
81.07053	0.6
83.08593	0.3
91.05497	0.3
93.07081	0.4
95.08622	0.8
97.02964	0.3
105.07065	0.3
107.08587	0.7
109.10198	0.5
119.08612	0.5
121.10164	0.7
123.11740	0.3
127.82873	0.2
133.10117	0.4
135.11703	0.4
146.27660	0.3
159.11754	0.5
173.13535	0.3
201.16245	0.3
260.13980	0.3
261.14758	0.8
433.47748	0.3
459.60428	0.3
465.33643	0.9
488.17432	0.3
491.31583	0.4
509.32657	3.5
510.33966	0.3
525.35797	0.6
535.95148	0.3
551.33374	0.9
568.56976	0.4
569.34552	100.0
570.34857	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	570.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.5
57.03436	3.8
61.02925	6.7
62.78919	0.5
65.03938	2.2
69.03429	12.8
71.04994	1.7
73.02927	2.7
79.05481	1.8
81.03417	5.2
83.48763	0.5
85.02908	70.5
86.03257	0.7
87.04466	1.5
91.03968	3.2
91.05483	100.0
91.57455	0.5
92.05818	2.2
95.04988	0.6
97.02892	17.5
97.97869	0.6
99.04453	2.2
101.02350	0.5
103.03957	0.8
105.07035	0.6
107.04959	25.7
109.02877	5.8
115.03908	0.7
127.02962	0.5
127.03917	17.4
145.04962	28.7
153.01836	0.8
163.06013	10.8
229.08553	2.6
242.05748	12.8
257.04373	3.7
269.04291	1.5
270.05264	4.8
285.03952	12.4
393.06146	1.0
394.06815	11.1
409.09164	56.6
523.41431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
53.61714	0.7
55.01880	4.2
57.03440	1.0
61.02924	1.6
65.03934	1.0
67.05471	1.0
69.03410	1.8
70.06583	3.6
71.31748	1.2
72.08147	1.8
72.62994	0.8
73.19918	0.7
76.08044	0.7
77.03925	1.1
78.04689	1.1
79.05499	16.2
80.05865	1.0
81.03407	2.1
81.07032	1.1
82.76077	0.9
83.04985	1.5
84.59386	0.7
85.02908	6.9
86.09701	2.5
89.03914	0.9
90.04696	1.4
91.05482	8.4
92.78368	0.9
93.07040	2.8
95.04987	4.1
97.02876	2.1
103.05463	7.7
104.06260	3.2
105.07039	18.1
107.04954	23.7
109.06545	1.7
109.10160	0.9
111.04456	1.4
115.05462	3.7
117.03378	3.3
117.06969	1.5
118.04169	2.4
119.04943	6.3
119.08598	1.2
121.06517	2.3
121.10140	2.1
123.04436	2.3
124.05245	1.3
127.03875	1.1
129.07025	1.3
131.04944	19.6
131.08572	1.5
132.05727	25.1
133.02798	1.4
133.06512	18.1
134.33379	0.9
135.04420	38.0
137.02235	0.8
137.05983	11.7
139.03905	1.5
141.06963	1.2
143.06056	1.4
145.02940	1.2
145.04979	0.9
145.06511	1.6
146.03589	0.9
147.04402	9.3
148.05173	2.1
149.05933	5.2
149.09613	1.9
151.07545	1.7
153.05463	3.7
157.06499	1.7
159.04323	1.0
159.08049	2.2
160.05219	14.7
161.05978	37.1
162.06322	1.4
163.03909	52.2
163.07510	4.4
165.05536	4.4
167.03438	1.8
167.07047	38.3
169.06473	1.3
173.05994	3.4
174.06776	2.8
175.07574	10.1
177.05478	12.8
178.06216	3.0
179.06999	3.5
180.07797	3.7
181.04939	2.7
181.08612	2.2
183.14966	0.9
187.07552	1.4
189.05455	2.2
189.09097	4.8
191.07059	18.4
192.07820	100.0
193.05042	6.5
193.08598	55.1
194.08951	1.6
195.04897	0.9
195.06589	3.0
197.08055	1.6
201.05464	11.0
201.09201	2.5
203.07033	0.9
207.06483	4.5
209.08176	1.5
210.08699	1.5
215.07074	0.9
219.06560	5.0
219.10155	23.2
220.10545	1.0
225.07573	11.1
235.07422	1.2
238.58388	0.9
323.09177	3.8
323.12634	1.0
325.10678	1.5
343.11823	2.8
355.11597	12.5
355.15140	1.4
356.11908	1.0
373.12726	10.7
373.16730	1.1
391.13742	3.6
434.33231	1.0
571.16089	3.7
571.24011	1.2
590.48785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.2
65.03931	3.0
69.03430	3.1
69.15038	13.2
70.06596	79.1
71.06905	3.0
72.08158	16.5
79.05499	13.3
83.04980	2.6
84.04523	11.9
85.02913	6.5
86.06071	4.8
86.09713	10.9
91.05483	8.5
93.07037	4.7
95.04990	2.5
97.02898	2.6
102.05545	15.9
103.05486	4.2
105.07037	3.5
107.04961	9.6
107.08609	2.4
109.06509	3.1
110.62057	2.0
114.05516	5.9
115.05412	3.3
115.76933	1.9
117.03377	3.5
119.04948	7.4
119.87498	2.0
120.08096	2.2
123.04431	2.4
125.05936	2.1
129.07016	7.9
131.04915	6.4
131.08580	12.1
133.06494	16.2
135.04431	22.3
137.05952	11.3
141.06970	6.6
145.06479	3.4
147.04430	9.1
149.06013	3.8
151.03868	3.3
151.07588	3.0
153.05460	4.0
157.06488	6.0
159.08063	11.0
161.06010	16.5
163.03905	27.4
165.62665	2.8
167.07018	16.0
169.13394	21.7
174.06813	13.4
175.07547	5.3
177.05467	31.0
179.07135	2.3
183.14964	3.2
187.07487	3.8
189.09152	25.7
191.07123	4.0
191.10681	4.2
192.07814	35.9
192.64061	2.3
193.08615	30.2
197.12885	17.3
201.05447	4.2
201.09097	8.4
207.06505	4.7
207.10126	2.6
215.14014	3.1
219.06837	4.2
219.10179	100.0
220.10535	4.3
225.07564	3.5
237.11229	11.0
282.41803	2.3
318.40497	2.2
328.22250	18.2
340.15125	4.1
343.11584	3.3
355.11874	6.7
373.12738	12.1
391.13782	6.6
504.28317	2.2
571.08344	5.6
571.26416	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03425	0.8
59.09914	0.5
59.39882	0.5
67.05497	0.6
69.03414	1.6
69.07090	0.5
70.06605	0.7
79.05477	1.6
80.02720	0.5
81.07054	1.3
83.04956	1.5
85.02899	4.9
91.05499	3.0
93.07038	2.7
95.04944	0.7
95.08614	0.9
97.02909	1.5
97.06552	0.8
99.04441	0.6
103.05476	1.2
105.07021	1.6
107.04965	2.2
107.08566	2.9
109.02873	1.0
109.06524	1.0
111.04431	0.5
115.05470	1.4
117.06991	1.5
119.08585	0.6
121.06532	1.1
121.10136	1.8
125.09668	1.1
127.03968	1.3
128.06256	1.6
129.06996	9.1
129.07880	0.8
131.04926	2.2
131.08578	8.1
133.06491	0.7
133.10170	0.6
136.02666	0.6
137.05956	3.0
141.06973	6.6
143.04907	0.8
143.08728	0.5
144.05669	1.3
145.04941	1.1
145.06482	1.1
146.07265	0.7
149.09579	2.4
151.07532	1.3
153.05463	0.9
157.06490	8.0
158.07266	3.4
159.08066	6.8
160.05200	0.8
161.05963	1.9
163.07539	1.5
165.06929	0.9
167.07037	7.2
167.08380	1.0
167.10681	1.9
169.06479	2.9
170.07257	1.2
173.05989	0.8
174.06760	15.2
175.07529	4.0
177.05554	0.8
177.09142	0.7
181.08566	4.7
186.06761	3.6
187.07452	0.9
188.08286	0.6
189.03941	1.1
189.09100	28.4
190.09460	1.3
191.06989	0.7
191.10651	3.1
192.27754	0.6
196.76991	0.6
201.09119	10.2
207.10182	1.3
210.06680	0.7
219.10156	100.0
220.10530	3.0
251.10310	0.6
253.08534	0.7
257.11868	0.8
283.09726	0.8
285.10992	0.8
317.13824	1.5
343.15356	2.4
355.13815	1.2
361.16455	9.1
362.16794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
57.03431	0.5
62.34717	0.4
67.05480	0.7
69.03429	0.6
70.06590	3.3
72.08134	1.0
79.05482	1.0
84.08149	0.6
85.02899	2.3
85.73972	0.5
86.09700	1.3
91.05479	1.4
93.07040	1.8
97.02904	0.5
105.07007	1.4
107.04958	1.2
111.45394	0.5
115.05448	1.4
119.04943	0.8
119.08537	0.6
120.08051	0.5
121.10131	1.8
122.02307	0.4
128.06215	1.2
129.07008	7.6
131.04901	1.1
131.08568	6.7
136.05190	0.5
136.06227	0.5
137.05978	2.7
138.06523	0.5
141.06999	5.4
143.04900	0.8
144.05656	1.1
145.02817	0.6
145.06514	1.0
146.07310	0.6
147.04478	1.2
149.06021	0.6
157.06494	6.2
158.07300	2.7
159.08052	6.0
160.05180	0.6
161.05956	1.6
161.09607	1.1
163.07506	0.6
167.07043	3.8
167.10820	0.5
169.06476	2.2
170.07225	1.5
171.61179	0.6
174.06773	13.6
175.07541	6.1
177.05467	1.0
186.06802	3.4
189.09097	23.4
190.09578	0.6
191.06996	0.9
191.10568	1.4
193.04953	1.3
193.08591	1.7
201.09102	8.8
207.10121	1.2
219.10162	100.0
220.10501	4.2
229.08554	1.2
355.14832	0.6
364.87384	0.6
427.09912	0.5
571.15588	1.0
571.23737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
65.03953	0.4
69.03418	0.5
70.06586	2.1
71.31100	0.8
76.39301	0.4
81.03398	0.4
85.02895	1.8
86.09714	1.3
91.05486	2.4
93.07039	1.4
97.02910	0.6
102.39591	0.4
103.05435	0.8
105.07018	1.5
107.04943	0.9
110.07172	0.6
115.05471	1.7
117.07063	0.5
119.04955	0.5
120.08089	0.5
121.10143	0.9
127.03912	0.7
128.06178	1.1
129.07014	6.5
129.10266	0.6
131.04961	1.0
131.08577	6.8
133.06494	0.8
137.05949	2.3
141.06992	5.7
143.04889	0.6
144.05663	0.9
145.04915	0.6
145.06464	0.9
147.04434	0.9
149.05920	0.6
151.03922	0.4
151.75464	0.5
157.06487	5.9
158.07271	3.0
159.08054	5.5
160.05208	1.3
161.06006	1.3
163.03873	0.5
163.07532	1.1
167.03246	0.4
167.07016	2.7
169.06496	3.0
170.07265	1.6
174.06769	12.3
175.07542	5.7
176.07880	0.5
177.05464	1.2
181.55563	0.4
186.06743	2.7
187.07532	0.6
189.09116	21.7
190.09415	0.7
191.07085	0.7
191.10703	2.1
193.04977	1.7
193.08617	2.0
201.09113	8.8
207.10187	0.7
219.10172	100.0
220.10527	4.1
229.08574	1.1
344.64011	0.5
355.14236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
55.01873	2.5
55.05516	1.0
57.03435	0.9
60.18214	0.6
67.01867	1.2
67.05498	1.1
67.94881	0.7
68.99789	3.7
69.03419	3.0
69.26225	5.7
70.06602	0.9
71.05013	1.6
79.05507	3.7
81.03437	3.2
81.07048	1.5
81.69653	0.7
82.00723	0.8
83.04984	1.9
84.79867	0.6
85.02913	7.2
86.09714	1.2
91.05487	6.1
93.07065	5.2
95.04982	2.3
95.08615	1.2
97.02917	1.5
97.06529	0.9
99.04427	1.4
103.05478	1.9
105.07029	4.7
107.04958	7.3
107.08600	3.0
109.02847	1.7
109.06503	1.6
110.85910	0.7
111.04440	1.9
111.08094	0.8
115.03923	0.8
117.06996	1.3
119.04930	1.4
119.08586	1.1
120.05727	0.7
121.06500	6.2
121.10139	1.3
123.04447	2.4
123.08054	0.9
124.05175	0.9
125.09615	1.5
127.03904	1.6
128.06227	1.2
129.01845	1.5
129.07014	5.5
131.04933	2.7
131.08551	4.5
133.06525	1.5
133.10146	1.1
135.04428	2.0
135.08063	2.4
136.17961	0.7
137.02362	16.1
137.03413	1.8
137.05968	5.3
139.07539	1.0
140.04628	0.7
144.05737	0.7
145.06512	1.8
147.04405	3.1
147.08092	1.0
148.05171	1.6
149.05966	2.1
149.09608	1.4
151.03908	1.4
151.07562	4.9
153.01830	20.3
153.04428	0.7
153.05394	3.5
155.04947	0.8
157.06534	5.6
159.08037	1.1
160.05122	1.2
161.02327	1.3
161.05981	10.9
161.09622	3.8
163.07555	6.0
165.06912	0.9
165.09126	2.2
166.06276	3.8
167.07056	21.9
167.08398	1.1
167.10683	3.5
169.12291	0.8
171.02859	1.2
171.08005	1.0
174.06778	3.5
175.07524	3.9
177.05560	0.9
177.09120	4.5
179.07063	1.3
179.08556	1.4
181.05058	1.1
181.08607	25.7
183.04369	1.1
187.07599	2.8
189.03967	1.4
189.09103	24.4
191.07091	1.0
191.10631	1.5
193.08598	1.8
193.10237	0.8
195.07971	1.7
197.09648	2.9
199.07597	1.0
207.10143	6.0
210.06685	1.0
211.03841	1.6
211.07452	0.9
212.08423	1.3
213.05458	2.6
219.08073	2.5
219.10211	2.5
221.05934	0.9
223.07526	2.7
223.11240	1.3
224.08302	1.4
225.09123	4.4
227.07066	1.9
229.04886	2.0
229.12335	1.2
236.08246	0.8
237.05528	1.6
237.09033	0.8
238.06259	0.9
239.03462	3.4
239.07047	1.1
241.04932	1.9
241.08693	0.9
242.09349	1.3
246.11389	1.7
247.07483	1.3
251.07147	2.0
251.10744	2.4
253.04977	1.5
253.08603	4.5
255.06375	1.3
255.10194	1.6
257.04404	1.9
257.11688	4.8
258.05273	1.7
265.08563	1.4
267.02957	2.6
267.06549	1.0
267.10251	0.9
268.07446	0.9
270.08939	1.2
279.02872	1.6
279.10239	2.1
281.04175	1.5
283.06818	0.9
283.09674	5.3
283.13297	3.0
285.04053	4.8
285.08121	1.3
285.11194	7.3
286.04742	2.3
287.02390	0.9
287.05499	4.0
293.00891	0.9
297.11182	1.7
299.05688	1.0
299.09256	1.1
299.12778	1.4
302.11572	1.4
305.14001	1.1
311.01834	2.0
311.12778	2.6
315.12332	5.3
317.13840	6.9
323.05487	1.7
327.05029	2.3
329.13882	1.6
331.15314	2.0
335.02011	3.8
341.13782	1.5
343.15430	13.2
344.15680	0.7
351.04895	1.3
353.02753	1.2
355.14117	2.0
361.16455	100.0
362.16791	7.7
363.04865	1.4
373.16525	1.2
377.06546	1.1
391.08337	0.9
393.05899	2.3
417.06476	1.0
419.03464	4.9
419.08539	10.2
435.07205	1.4
445.05582	2.2
487.06619	1.5
570.07941	1.3
571.08728	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
57.07076	54.9
58.96573	1.3
69.07066	8.1
70.58589	2.5
71.08630	51.2
73.06554	5.0
81.07047	1.7
83.08603	3.8
85.10179	34.3
87.04474	5.9
89.06032	100.0
93.07056	1.5
97.10162	4.3
99.11748	7.1
99.12315	1.6
107.07076	3.8
111.11739	3.5
113.13293	5.0
117.09142	5.9
125.13266	3.5
127.14841	4.5
130.08617	1.4
133.08600	65.0
155.01036	1.5
177.11206	23.9
178.11623	1.5
196.48718	1.4
221.13855	3.7
227.23636	2.0
239.14777	1.3
249.52150	1.5
271.26294	2.7
283.17447	2.2
315.28793	3.0
371.22723	5.8
553.43079	7.1
570.34216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0874
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
67.01868	2.3
67.05495	0.4
68.99798	3.4
69.03433	0.9
69.07086	0.3
71.05020	0.3
79.05497	0.6
80.35132	0.2
81.03425	1.1
81.07056	0.5
85.02895	0.7
86.09692	0.5
87.00898	0.3
91.05470	0.6
93.07055	0.5
95.04977	0.4
95.08628	0.4
97.02882	0.5
99.04453	0.3
104.10750	1.2
105.07037	0.6
107.08593	0.6
109.02905	0.6
109.06515	0.4
109.10167	0.3
111.00826	0.5
111.04458	0.6
119.08611	0.3
121.06455	0.3
121.10166	0.4
127.03911	1.0
135.04433	1.4
137.02362	16.5
137.03477	1.8
138.02704	0.5
145.10167	0.4
145.88141	0.3
147.04446	0.8
153.01834	23.2
154.02139	0.5
155.04933	0.4
161.02408	1.7
161.03519	0.3
171.02922	1.2
171.04286	0.4
179.03436	0.6
183.04460	0.8
184.07430	0.7
185.06012	0.5
187.03951	1.0
189.05470	0.4
199.03920	0.4
201.05463	0.6
203.03358	0.4
211.03838	2.3
213.05504	2.8
215.03448	0.5
217.04967	0.4
225.01823	0.3
229.04964	1.8
233.96742	0.3
235.03639	0.3
237.01875	0.4
237.05534	0.9
239.03421	3.6
240.04022	0.4
241.05002	1.9
242.05742	5.5
243.03011	0.8
251.03645	0.3
253.05046	0.6
255.02966	0.5
255.06410	0.3
257.04474	3.6
258.05188	1.7
259.05988	0.3
265.01413	0.6
265.05136	0.6
267.02905	2.7
269.00717	0.3
269.04520	1.1
270.05203	1.8
271.02322	0.5
271.05902	0.6
277.05078	0.6
279.02954	1.8
279.06171	0.3
281.04474	2.2
283.02866	0.3
283.06174	0.7
285.03952	10.5
286.04657	3.2
287.02026	0.7
287.05585	3.5
289.05261	0.3
291.06458	0.5
293.00885	0.8
293.04324	0.4
295.06049	0.9
297.03989	1.2
299.05573	0.9
307.02551	0.4
309.04050	1.0
311.01825	2.1
313.03632	0.4
319.06128	0.9
321.03995	1.0
323.05530	3.4
327.05054	1.7
335.01932	3.6
335.05469	0.6
345.03867	0.6
347.05490	0.8
347.09314	0.5
349.03598	0.6
349.07437	0.5
351.05124	2.7
353.02924	1.7
359.05420	0.4
361.07047	0.4
363.04919	0.7
363.08884	0.5
365.06659	0.8
373.03345	0.4
375.05069	0.6
377.02429	1.3
377.06726	1.2
389.06830	0.3
391.08447	0.6
393.06161	2.8
394.06839	3.4
401.06699	0.3
409.09167	18.9
410.09467	0.9
417.06241	0.8
418.07025	0.4
419.03500	4.0
419.07779	11.2
420.03342	0.3
420.08118	0.9
435.07120	1.3
437.05292	0.9
445.05588	2.9
487.06604	1.7
515.09680	0.4
529.07733	0.9
571.08734	100.0
572.09094	11.0
573.14441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45014	2.5
82.99863	1.8
83.96799	0.8
84.62479	0.8
86.17922	1.0
86.99304	0.9
94.42121	1.0
97.71508	0.8
101.00876	10.8
101.61145	0.9
107.60026	0.8
109.02814	0.8
113.00889	2.4
115.02431	1.4
119.01922	24.0
120.01975	1.3
127.02413	1.7
131.01906	9.8
133.03468	4.5
137.02951	2.8
139.02415	1.7
143.01895	23.8
145.03491	12.8
147.01376	2.0
149.03009	1.7
155.01892	15.7
157.03462	7.3
161.02962	30.8
162.03241	1.4
163.04483	2.6
167.01891	9.8
168.99710	2.0
169.03452	3.7
171.01360	2.8
171.05043	2.5
173.02966	26.5
175.04512	1.7
179.01912	4.7
185.02960	41.8
186.03297	2.1
187.00893	3.5
187.04578	5.2
189.02458	2.5
191.04034	2.0
195.01468	1.1
196.99303	1.0
197.02959	15.5
199.00931	1.8
199.04697	1.1
201.02455	2.7
203.03979	11.7
209.02948	3.2
213.02426	1.4
215.00395	3.8
215.04008	9.0
217.01961	5.4
219.03505	3.3
221.05006	2.6
227.04065	9.6
229.01929	1.4
231.03549	4.4
239.04086	1.1
245.05069	100.0
246.05249	5.1
247.02988	2.9
257.05032	6.3
259.02942	2.0
263.06140	13.1
271.02875	1.8
275.02576	5.1
275.06125	12.5
289.03998	11.1
290.04221	1.2
293.07132	4.1
301.04007	3.7
303.05347	1.4
305.07141	10.1
307.05078	10.2
315.05765	1.3
319.05072	4.3
331.05145	3.0
333.06918	1.4
335.08163	5.2
349.06076	8.4
359.04486	3.3
361.06238	2.0
365.09207	14.1
377.05627	3.4
391.07092	5.7
409.08246	1.8
511.11014	1.4
539.10443	2.6
571.13251	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	571.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45014	2.5
82.99863	1.8
83.96799	0.8
84.62479	0.8
86.17922	1.0
86.99304	0.9
94.42121	1.0
97.71508	0.8
101.00876	10.8
101.61145	0.9
107.60026	0.8
109.02814	0.8
113.00889	2.4
115.02431	1.4
119.01922	24.0
120.01975	1.3
127.02413	1.7
131.01906	9.8
133.03468	4.5
137.02951	2.8
139.02415	1.7
143.01895	23.8
145.03491	12.8
147.01376	2.0
149.03009	1.7
155.01892	15.7
157.03462	7.3
161.02962	30.8
162.03241	1.4
163.04483	2.6
167.01891	9.8
168.99710	2.0
169.03452	3.7
171.01360	2.8
171.05043	2.5
173.02966	26.5
175.04512	1.7
179.01912	4.7
185.02960	41.8
186.03297	2.1
187.00893	3.5
187.04578	5.2
189.02458	2.5
191.04034	2.0
195.01468	1.1
196.99303	1.0
197.02959	15.5
199.00931	1.8
199.04697	1.1
201.02455	2.7
203.03979	11.7
209.02948	3.2
213.02426	1.4
215.00395	3.8
215.04008	9.0
217.01961	5.4
219.03505	3.3
221.05006	2.6
227.04065	9.6
229.01929	1.4
231.03549	4.4
239.04086	1.1
245.05069	100.0
246.05249	5.1
247.02988	2.9
257.05032	6.3
259.02942	2.0
263.06140	13.1
271.02875	1.8
275.02576	5.1
275.06125	12.5
289.03998	11.1
290.04221	1.2
293.07132	4.1
301.04007	3.7
303.05347	1.4
305.07141	10.1
307.05078	10.2
315.05765	1.3
319.05072	4.3
331.05145	3.0
333.06918	1.4
335.08163	5.2
349.06076	8.4
359.04486	3.3
361.06238	2.0
365.09207	14.1
377.05627	3.4
391.07092	5.7
409.08246	1.8
511.11014	1.4
539.10443	2.6
571.13251	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	571.1446
Annotation	cudranian 2
Peak:m/z	Relative Intensity
53.03931	0.3
55.01865	0.4
55.05502	0.2
57.03423	0.6
61.02926	0.7
65.03922	0.3
67.05486	0.3
69.03431	1.8
69.07047	0.3
70.03755	0.2
71.04971	0.2
71.30824	0.2
73.02904	0.4
73.25259	0.1
79.05458	0.3
81.03404	0.6
81.07040	0.5
85.02907	8.5
86.03227	1.2
86.09668	0.2
87.04443	0.2
91.03931	0.3
91.05482	11.4
92.05808	3.6
93.07060	0.4
95.04958	0.2
95.08597	0.4
97.02890	2.5
98.03210	0.4
99.04442	0.3
100.11306	0.2
102.24656	0.1
103.05473	0.2
105.07000	0.5
107.04952	1.4
107.08583	0.3
108.05277	0.4
109.02864	0.9
109.10142	0.2
110.03072	0.2
110.03719	0.3
119.08586	0.4
121.06459	0.1
127.03909	1.8
128.04221	0.5
137.02406	0.2
145.04967	3.0
145.10089	0.2
146.05283	0.7
153.01823	1.5
158.61732	0.1
163.06036	1.1
164.06404	0.2
169.14313	0.1
175.14844	0.1
203.03362	0.2
209.24797	0.1
223.88194	0.1
226.18414	0.2
229.04890	0.2
229.08646	0.1
241.04994	0.3
242.05737	29.2
243.06151	1.4
257.04437	7.2
258.04834	0.6
269.04480	3.0
270.05203	8.2
271.05792	0.3
285.03934	25.6
286.04315	1.3
287.05362	0.2
295.05966	0.2
373.07407	0.2
377.06656	0.8
393.06073	1.4
394.06830	16.3
395.07129	1.1
409.09155	100.0
410.09470	6.7
419.07535	0.6
445.05408	0.4
524.84955	0.2
571.08325	1.1
571.26953	0.4
571.38409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54987	0.7
53.56495	0.6
53.59862	0.6
55.05522	1.4
57.07090	0.8
58.10214	0.7
59.00544	0.8
59.05018	1.5
66.34665	0.6
67.05500	4.5
69.07076	1.3
70.47713	1.0
70.48048	1.3
71.05013	1.7
79.05500	1.4
80.02396	0.8
81.07069	3.2
83.08621	1.2
91.05503	1.8
93.07073	2.9
94.03986	1.0
95.08632	3.0
105.07041	2.3
107.08636	2.9
108.05531	1.8
109.01033	0.7
109.02745	0.7
109.06511	1.0
109.10159	5.7
115.07722	0.7
119.08620	2.9
121.10191	2.7
123.11728	1.4
125.29810	0.6
127.11243	1.7
131.08694	1.2
133.10164	2.9
135.11734	2.5
143.08540	1.1
145.10191	2.0
147.07837	0.9
147.11737	1.6
147.56219	0.7
148.08606	3.0
149.06003	1.1
149.13313	1.1
155.08568	1.3
157.10124	1.2
159.11732	1.4
161.09389	15.8
162.10196	2.2
169.10210	1.2
171.11690	0.9
173.13319	0.8
175.11200	1.6
175.14880	2.8
176.11752	6.1
177.12904	0.6
179.10510	0.9
181.10103	0.8
183.11771	1.9
185.13318	1.6
189.12544	0.8
191.10474	3.6
193.10037	0.8
194.09225	0.9
196.12538	1.1
197.13367	1.9
199.01831	0.8
199.11005	0.8
199.15004	0.8
208.10725	1.6
209.13156	0.9
212.15396	0.7
225.16542	0.8
227.18115	0.8
238.17311	0.7
239.17967	1.6
241.19495	0.8
247.13068	16.4
247.15602	0.8
248.13387	1.0
253.19556	0.9
261.14581	3.2
262.15384	5.4
263.16193	46.4
264.16678	1.9
267.17593	0.8
269.19104	0.9
294.81949	0.7
383.24478	1.1
417.31671	1.4
427.28683	1.0
435.32977	3.1
470.26721	0.9
535.37891	7.0
553.38879	2.8
571.36261	100.0
572.36560	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	572.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50322	3.6
70.06593	79.8
71.06915	4.7
71.31175	7.0
72.08162	20.1
76.63170	4.6
79.05508	6.3
84.04502	8.0
84.08163	7.5
85.02908	6.6
86.09713	35.9
92.31641	4.5
105.07042	7.1
107.04912	5.0
115.08673	4.6
116.07127	4.9
119.04907	6.2
129.10297	6.7
131.04974	7.3
133.06516	6.3
135.04417	4.7
137.06001	17.3
143.11682	4.2
147.04424	7.7
151.03894	4.7
151.07513	5.2
153.05415	7.2
161.05998	18.9
163.07672	7.2
167.07042	100.0
177.05458	21.4
183.14996	5.9
195.06572	13.5
201.05342	6.0
211.09645	9.5
227.09270	5.5
230.11385	17.4
235.09846	5.1
294.11563	4.2
361.71503	4.5
375.14172	5.0
572.14697	6.4
572.38007	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	572.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57383	6.4
55.01883	7.2
57.10743	7.0
69.03439	10.6
70.06591	54.6
70.83686	12.3
71.04979	6.4
72.08150	22.5
79.05481	14.2
81.03468	6.5
84.04482	11.5
84.08139	20.9
85.02898	28.2
86.09724	36.6
90.15655	6.4
91.05488	26.1
97.02869	8.9
103.05464	52.0
105.07029	40.6
106.59592	6.5
107.04946	33.6
113.73546	6.4
115.05502	10.8
119.04941	36.4
123.04441	11.1
127.03874	7.6
129.10257	14.8
131.04936	97.9
133.06490	45.0
135.04439	8.3
136.07509	10.0
137.06017	43.1
145.06476	14.7
147.04393	79.0
149.05991	93.8
151.03871	7.3
160.05214	6.7
161.05989	100.0
163.03947	14.9
165.05540	11.5
167.07018	54.9
173.06006	33.0
177.05484	22.0
179.07011	25.2
180.07877	10.0
181.08630	15.0
183.14928	7.3
185.06065	9.4
185.11099	6.8
191.06998	18.2
192.07849	21.0
193.08603	76.0
195.06494	13.5
207.06554	28.4
209.08115	39.7
221.08084	9.6
305.71484	8.7
307.09445	7.8
327.12143	26.0
331.11816	8.8
339.12198	9.0
432.98862	7.4
572.16046	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	572.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01878	1.0
55.09228	0.6
61.02939	0.8
63.70383	0.5
68.42654	0.5
69.03423	1.6
70.06593	3.6
71.05264	0.9
72.08146	0.9
73.02920	0.5
74.39244	0.5
77.83177	0.5
78.04710	1.4
79.05502	4.7
81.03412	0.7
81.07078	0.7
85.02916	4.9
86.09708	2.3
91.05495	3.4
93.07035	0.7
94.04187	2.4
95.04980	1.5
97.02897	1.1
103.05469	9.8
104.05768	0.5
105.03374	0.7
105.07037	10.9
106.04198	0.8
106.07349	2.5
107.04969	7.0
109.02849	1.1
109.06518	1.8
115.05457	3.6
116.05787	1.2
117.07024	1.1
118.04152	1.1
121.06492	1.0
122.03658	6.5
123.04436	2.5
123.08025	1.1
124.05208	1.7
128.06204	1.1
129.07004	1.6
131.04941	13.4
131.08548	0.9
133.05571	0.9
133.06506	10.9
133.81393	0.6
134.06798	3.0
135.08061	5.5
135.11699	1.2
137.05983	100.0
138.06306	2.9
140.46342	0.6
141.07040	0.7
143.04938	1.1
143.08592	1.9
143.11818	0.8
145.04962	0.6
145.06497	1.9
147.02341	0.5
147.04385	1.7
147.08014	1.7
149.05959	1.0
151.03918	1.0
151.07565	8.5
152.04694	0.9
157.06491	0.8
158.07353	0.9
159.08159	1.0
160.05153	0.7
161.05989	10.7
161.07216	1.0
162.06306	5.3
163.07549	35.5
164.07901	1.1
165.09134	1.4
167.07048	56.7
168.07434	1.6
171.08104	1.7
173.09653	0.6
174.06783	1.3
175.07559	7.1
177.09157	0.8
179.07021	2.2
181.08591	1.3
187.07584	3.0
188.08276	1.2
189.09105	2.4
193.08636	7.4
194.08977	2.7
201.09068	1.2
203.10693	5.6
207.10138	1.1
213.14902	2.2
216.08830	1.9
217.09132	0.9
219.10266	2.0
221.11694	0.8
231.15985	1.0
233.09564	1.4
233.11778	2.3
237.03120	0.6
245.11349	0.6
261.09198	1.0
265.12305	0.8
293.11639	2.7
325.14334	11.1
357.16946	25.1
358.17255	1.4
375.18051	15.8
376.18219	0.6
379.13745	2.8
380.13977	4.7
572.20917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21812	0.6
62.51631	0.7
66.04691	0.8
69.48712	3.6
70.06590	1.9
71.05003	0.9
72.08163	0.8
78.04706	1.0
79.05499	3.8
84.08142	1.0
85.02908	3.7
85.65372	0.7
86.09684	1.3
91.05481	4.1
94.04166	3.3
97.02898	1.1
103.05464	7.9
103.79765	0.7
105.07032	3.0
106.04194	0.9
107.04951	5.3
115.05451	1.8
121.06526	0.9
122.03657	6.9
123.04450	2.4
124.05188	1.5
125.25861	0.7
129.07050	1.3
129.73799	0.7
131.04926	10.8
131.08571	1.1
133.06494	5.6
134.06107	0.7
135.08070	4.5
137.05980	100.0
138.06297	2.4
139.03787	0.6
139.19200	0.7
143.04979	1.3
143.08630	1.0
145.06482	1.9
147.04367	1.2
147.08023	2.4
149.05917	0.9
151.03815	1.1
151.07542	9.2
152.04567	0.9
160.05183	1.0
161.05965	2.4
163.07550	32.7
163.08923	1.6
164.07938	1.1
165.09160	0.9
167.07042	53.5
168.07358	1.6
171.08092	1.7
173.09610	1.0
174.06770	1.0
175.07553	5.8
179.07050	1.8
181.08612	0.9
187.07574	2.5
188.08427	1.2
189.09132	2.7
193.08595	3.6
200.51816	0.8
201.09048	1.9
203.10757	4.2
207.10164	1.0
212.50897	0.7
219.10159	2.9
233.09552	1.4
233.11652	1.6
251.12941	0.7
261.09192	1.7
293.11786	2.2
325.14331	10.6
357.16980	21.0
358.17288	1.9
375.18011	12.4
376.18237	1.3
500.43051	0.7
524.38409	0.8
568.59210	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	37.7
69.03442	1.2
70.06583	2.1
70.60191	2.2
71.95261	1.2
77.64079	1.2
78.50317	1.3
84.04520	1.2
84.96033	10.4
86.97401	1.3
93.80955	1.0
97.96797	1.2
98.97585	44.3
100.83701	0.9
110.97575	16.1
112.99161	3.8
116.98627	23.0
121.90421	1.0
123.66222	1.3
124.99147	1.4
128.98604	23.1
131.00172	4.1
134.99669	7.6
137.06006	1.1
140.98686	1.7
143.00174	7.0
146.99664	14.3
158.99657	5.9
161.01208	11.5
161.72124	1.1
165.99327	2.5
170.99644	5.8
173.01276	1.7
174.99216	1.5
175.00717	1.6
177.00710	5.9
179.02325	3.2
184.00520	2.9
185.01245	2.9
189.00690	5.2
191.00195	2.0
192.98137	3.6
193.01726	6.9
200.99025	1.5
201.00629	5.4
203.00218	3.2
205.01692	2.3
206.99683	2.3
209.01213	3.7
210.02007	1.2
210.99315	5.7
211.02780	30.5
211.04692	2.0
218.99733	3.6
219.01712	29.6
220.49991	1.2
221.01221	8.8
223.02788	4.8
225.00665	5.6
229.03821	10.1
230.99745	1.5
234.02002	2.5
235.02765	4.4
237.00700	13.3
237.02870	44.8
238.03238	1.2
239.02238	6.5
241.03944	1.3
245.01317	2.0
247.02852	3.4
249.00668	11.1
249.04420	1.4
251.02246	4.4
253.03891	3.2
255.01717	8.8
255.03879	1.7
257.03589	2.0
259.02768	2.2
261.00766	3.8
261.04428	4.0
263.02466	5.8
263.04962	1.3
265.03839	7.0
267.01752	8.2
269.03381	2.3
271.02805	4.5
273.00647	2.3
274.97482	4.8
277.00754	1.1
277.03812	7.0
279.01611	8.3
281.03339	4.9
283.04984	1.8
285.02808	4.6
287.02240	1.4
289.03830	13.3
291.01724	9.4
292.98416	1.9
295.01382	1.8
295.04941	1.9
297.02966	6.7
299.04330	2.4
303.01651	2.1
305.03357	2.8
307.04959	7.2
309.02829	15.6
311.04114	1.3
315.01660	1.4
321.02734	5.5
327.03751	3.7
333.02740	10.4
339.03967	7.7
341.05853	1.2
351.03845	13.3
369.05057	6.4
381.05063	1.9
387.05725	4.2
393.04932	1.6
405.05090	2.5
411.05844	3.6
417.04840	2.0
419.06458	1.4
423.05814	1.5
425.07349	1.2
432.19894	1.3
433.08221	1.8
435.05948	2.9
439.05273	1.4
441.06964	5.3
446.62088	1.3
447.05942	2.8
453.07034	100.0
454.07513	7.3
455.08530	3.5
459.05850	1.9
465.07019	10.9
471.08023	10.0
477.07059	7.0
483.08121	7.4
494.09717	3.2
495.08139	24.5
496.08792	1.7
513.09161	60.4
514.09662	2.7
531.10352	2.7
573.25641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	37.7
69.03442	1.2
70.06583	2.1
70.60191	2.2
71.95261	1.2
77.64079	1.2
78.50317	1.3
84.04520	1.2
84.96033	10.4
86.97401	1.3
93.80955	1.0
97.96797	1.2
98.97585	44.3
100.83701	0.9
110.97575	16.1
112.99161	3.8
116.98627	23.0
121.90421	1.0
123.66222	1.3
124.99147	1.4
128.98604	23.1
131.00172	4.1
134.99669	7.6
137.06006	1.1
140.98686	1.7
143.00174	7.0
146.99664	14.3
158.99657	5.9
161.01208	11.5
161.72124	1.1
165.99327	2.5
170.99644	5.8
173.01276	1.7
174.99216	1.5
175.00717	1.6
177.00710	5.9
179.02325	3.2
184.00520	2.9
185.01245	2.9
189.00690	5.2
191.00195	2.0
192.98137	3.6
193.01726	6.9
200.99025	1.5
201.00629	5.4
203.00218	3.2
205.01692	2.3
206.99683	2.3
209.01213	3.7
210.02007	1.2
210.99315	5.7
211.02780	30.5
211.04692	2.0
218.99733	3.6
219.01712	29.6
220.49991	1.2
221.01221	8.8
223.02788	4.8
225.00665	5.6
229.03821	10.1
230.99745	1.5
234.02002	2.5
235.02765	4.4
237.00700	13.3
237.02870	44.8
238.03238	1.2
239.02238	6.5
241.03944	1.3
245.01317	2.0
247.02852	3.4
249.00668	11.1
249.04420	1.4
251.02246	4.4
253.03891	3.2
255.01717	8.8
255.03879	1.7
257.03589	2.0
259.02768	2.2
261.00766	3.8
261.04428	4.0
263.02466	5.8
263.04962	1.3
265.03839	7.0
267.01752	8.2
269.03381	2.3
271.02805	4.5
273.00647	2.3
274.97482	4.8
277.00754	1.1
277.03812	7.0
279.01611	8.3
281.03339	4.9
283.04984	1.8
285.02808	4.6
287.02240	1.4
289.03830	13.3
291.01724	9.4
292.98416	1.9
295.01382	1.8
295.04941	1.9
297.02966	6.7
299.04330	2.4
303.01651	2.1
305.03357	2.8
307.04959	7.2
309.02829	15.6
311.04114	1.3
315.01660	1.4
321.02734	5.5
327.03751	3.7
333.02740	10.4
339.03967	7.7
341.05853	1.2
351.03845	13.3
369.05057	6.4
381.05063	1.9
387.05725	4.2
393.04932	1.6
405.05090	2.5
411.05844	3.6
417.04840	2.0
419.06458	1.4
423.05814	1.5
425.07349	1.2
432.19894	1.3
433.08221	1.8
435.05948	2.9
439.05273	1.4
441.06964	5.3
446.62088	1.3
447.05942	2.8
453.07034	100.0
454.07513	7.3
455.08530	3.5
459.05850	1.9
465.07019	10.9
471.08023	10.0
477.07059	7.0
483.08121	7.4
494.09717	3.2
495.08139	24.5
496.08792	1.7
513.09161	60.4
514.09662	2.7
531.10352	2.7
573.25641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83453	1.0
62.22695	1.0
64.70906	0.9
67.05473	1.5
69.03410	1.4
70.54309	0.9
71.30594	1.3
81.07059	3.0
83.08637	1.0
87.88789	1.2
90.39291	0.9
91.05470	1.9
93.07040	1.3
95.05009	1.4
95.08636	1.9
97.02896	1.4
109.10147	3.4
116.10709	1.3
119.08601	1.4
121.10223	1.6
137.05954	1.7
237.14525	1.4
261.20364	1.1
325.19833	3.2
326.23248	1.8
353.15628	1.4
399.19742	4.5
441.20996	4.2
451.18637	1.2
487.25217	8.6
488.24683	1.5
508.81244	1.1
529.26178	27.1
530.26025	1.8
531.20044	1.1
573.24994	100.0
574.25403	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	573.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81682	0.3
53.03928	0.6
54.19467	0.3
67.05505	0.8
69.03429	0.8
69.07024	0.4
70.06590	1.4
71.05000	0.7
71.30999	0.3
72.08142	1.0
78.65254	0.3
79.05479	0.5
81.03410	0.7
81.07070	0.7
83.04990	0.5
84.08144	2.0
85.02896	1.9
85.06536	0.5
86.09699	1.2
91.05531	0.4
93.07074	0.5
95.04966	1.1
97.02915	0.7
99.04479	0.5
103.11411	0.3
105.07038	0.5
107.08585	0.4
109.02892	0.5
109.06500	0.3
109.10114	0.4
122.06048	0.5
127.03907	0.7
129.10228	0.9
135.08073	0.3
137.05986	0.7
145.04971	0.6
203.05237	1.9
235.24417	0.3
276.11496	0.4
347.09332	0.6
359.13599	0.5
393.18961	2.1
411.15784	0.9
573.25385	100.0
574.25854	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00069	1.1
67.05511	4.1
69.07084	1.6
69.37878	4.3
69.38288	2.8
71.04992	1.9
79.05495	2.1
81.07056	2.9
91.05462	1.3
94.06582	2.0
95.04948	3.0
95.08583	1.9
105.07001	2.9
107.08597	2.6
108.08141	1.9
112.07600	1.9
113.06007	3.9
119.08584	2.4
121.10111	1.4
134.06042	2.6
136.07645	1.1
144.08067	1.6
159.09294	1.6
160.09920	1.6
171.09177	2.9
172.07672	1.8
183.09187	4.2
184.09882	2.0
185.10722	1.7
187.08733	2.6
195.09274	3.3
196.09979	4.2
197.10794	8.7
198.11424	3.7
199.08725	2.6
199.12308	1.7
200.09366	1.2
209.10794	3.3
210.11432	7.3
211.08708	4.2
211.12302	4.1
212.09363	1.5
213.10344	3.2
214.07489	1.6
215.08134	1.8
223.08676	3.8
224.09416	7.4
224.12968	1.3
225.10283	7.3
225.13766	10.4
226.10983	3.7
227.08220	8.5
227.11861	4.9
228.09100	1.5
228.12531	2.8
229.09669	1.5
230.12056	1.6
236.09543	1.7
237.10300	6.9
238.10973	6.3
239.11765	15.9
240.12611	5.9
241.09688	12.0
241.13364	2.6
251.11873	1.6
253.13359	50.2
254.13797	2.0
255.11284	5.0
255.14963	1.9
265.09695	1.3
265.13904	3.5
269.12915	1.2
280.14011	1.5
283.10791	3.9
286.09445	1.3
287.10806	2.0
288.11557	7.0
288.14587	1.6
289.12289	1.5
290.13019	1.9
291.15076	1.6
297.12534	3.2
299.11694	2.2
300.11884	2.2
301.12161	4.7
302.12869	23.0
303.13657	10.4
304.14502	1.8
313.12250	2.1
314.13129	4.5
315.13333	8.6
316.14487	18.1
317.15259	15.2
318.12762	1.8
318.16010	10.1
329.12012	1.8
329.16489	2.9
330.12494	2.4
330.16101	8.5
331.13217	2.5
331.16714	13.4
332.10757	6.5
332.14172	1.7
332.17560	30.2
333.18039	2.3
342.12283	1.9
343.13165	2.4
344.10239	1.4
344.13904	2.8
345.10974	3.9
346.12018	18.5
346.19125	40.7
347.13043	6.2
347.16119	2.4
347.19888	33.7
348.20517	9.8
358.15573	14.4
360.13422	20.2
361.14243	17.3
362.14984	16.8
372.17307	6.1
374.14877	4.5
374.18747	10.3
375.15726	26.5
375.19910	2.1
376.16550	37.1
377.16946	2.4
390.18121	100.0
391.18869	55.2
392.19659	11.4
393.19678	1.7
395.15326	1.7
409.16943	2.2
411.17917	1.5
419.15167	1.8
423.14688	1.5
435.18134	2.9
437.16141	1.4
439.17093	1.7
449.19626	2.6
453.19196	3.2
479.76657	1.5
493.18665	2.5
497.25742	2.4
505.22287	3.0
511.19861	1.6
511.27075	5.5
523.23273	5.2
525.21149	3.3
529.28168	28.0
530.28180	3.9
537.24915	12.0
540.23633	1.7
555.26001	86.6
556.26129	11.3
558.24139	2.8
573.25995	57.5
573.34113	14.0
574.26947	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	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05507	4.5
57.03445	6.4
57.07078	29.9
58.07388	1.1
67.05508	11.1
69.07063	5.0
69.30618	2.1
69.31019	3.8
71.08632	19.5
76.60899	1.1
81.03425	4.9
81.07059	10.9
83.08630	6.4
85.10175	11.6
93.07030	1.0
95.08619	13.4
97.10162	3.1
98.97850	2.1
98.98469	33.6
99.86362	1.2
109.02882	2.9
109.10156	7.8
116.99540	1.5
120.44862	1.2
123.11703	2.1
127.03908	1.2
130.96547	1.0
155.01031	30.1
171.69354	1.0
173.02049	1.2
186.39427	1.0
239.23726	5.0
244.65588	0.9
256.88269	1.0
272.87717	2.1
281.04047	1.0
313.27356	100.0
314.27652	6.0
317.06335	4.1
335.07230	4.2
381.50079	1.2
384.24731	2.1
393.24014	3.9
401.28751	2.2
537.28162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89451	0.4
55.05514	0.7
59.43049	0.4
67.05501	0.9
69.07076	1.1
70.93579	0.7
72.82706	0.4
79.05473	0.7
81.07062	1.5
83.04979	0.5
85.02892	0.5
87.56173	0.4
87.74736	0.4
91.05481	0.7
91.30962	0.4
93.07040	0.7
93.82507	0.4
95.08628	1.0
105.01891	0.7
105.07053	0.6
107.08604	1.3
109.02914	0.5
109.10190	0.6
114.34594	0.5
117.06996	0.5
119.08640	0.5
127.00050	0.6
127.03914	0.6
133.10214	0.5
136.90660	0.6
175.14757	0.5
181.92361	0.6
185.04286	1.0
227.05351	0.5
229.03166	0.7
245.06354	0.9
271.04306	1.6
289.05423	1.9
307.26111	0.8
325.27103	3.8
357.39294	0.5
367.27420	0.5
382.94708	0.5
397.28079	0.5
451.30310	0.7
469.31390	1.4
487.32407	2.3
493.31360	2.6
511.32501	6.4
529.33533	18.7
530.33801	1.5
537.30341	11.1
538.30756	1.3
555.31464	31.9
556.31750	3.2
573.32520	100.0
574.32916	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	573.415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
59.05005	1.9
67.05497	3.5
69.03410	0.7
69.07057	3.1
71.04990	5.9
71.08627	1.3
71.31969	0.7
79.05489	4.3
81.07041	4.8
83.04982	0.8
83.08594	1.1
91.05478	3.5
93.07042	5.2
95.04976	1.5
95.08593	5.2
95.94630	0.8
97.06516	1.2
105.07032	6.1
107.08590	9.6
109.06525	0.8
109.10177	4.4
115.07568	3.7
119.08582	10.3
120.09087	0.6
121.06495	5.3
121.10127	5.7
123.08116	2.2
123.11713	1.7
127.11220	1.5
131.08554	1.8
133.10114	3.7
135.08073	3.0
135.11662	1.5
137.09624	0.8
142.56110	0.6
143.08441	1.0
145.10109	3.2
147.11673	4.6
149.09637	2.6
149.13312	0.8
157.10179	2.1
158.10892	0.7
159.08055	0.8
159.11661	3.5
161.09637	2.2
161.13272	3.7
163.11249	1.1
163.14833	1.2
171.11810	0.8
173.09587	1.2
173.13307	2.7
175.11162	1.5
175.14882	1.2
185.13268	1.3
187.14853	1.4
189.12712	0.9
201.12808	1.1
201.16357	1.0
203.14317	1.0
205.15858	1.3
211.14934	1.0
215.17931	0.9
217.15822	1.1
243.17517	3.1
261.18408	0.8
319.22964	0.9
333.24338	2.8
455.34839	0.9
555.40167	1.0
573.41522	100.0
574.41919	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01873	6.4
57.03438	13.0
58.75094	0.7
59.04984	1.2
61.02927	11.3
67.05502	1.0
69.03429	27.3
70.06595	3.7
71.01357	2.1
71.04985	2.5
71.31739	1.0
72.08160	3.1
73.02915	34.3
77.59267	0.8
81.03419	6.9
83.08623	1.5
84.08122	1.1
85.02904	100.0
86.09719	4.3
87.04471	4.1
91.03963	4.8
91.05474	1.1
97.02892	50.5
99.04442	3.8
103.03955	3.0
103.05451	2.1
105.07050	1.5
109.02872	7.6
115.03926	19.8
117.05668	0.8
118.01464	0.8
119.04907	0.9
121.06515	1.2
127.03914	31.6
129.10229	1.4
131.04886	1.7
133.04961	33.2
133.06487	1.9
137.05948	4.4
139.07484	0.8
145.04956	54.3
146.05348	1.1
147.04396	3.2
149.05989	2.7
151.07504	1.0
161.06009	2.4
163.06013	25.6
185.05908	1.1
193.08589	1.5
197.08070	1.5
199.06020	1.4
212.81500	0.8
213.12320	0.9
215.12607	0.9
217.07111	1.7
223.06021	5.1
241.07109	7.6
245.13756	1.2
249.23302	0.9
259.08093	11.7
261.46002	0.9
263.14923	1.5
277.09134	3.1
289.09106	1.4
295.10175	7.5
325.11237	3.2
328.58414	0.9
399.58701	0.8
454.30692	0.9
456.28891	0.8
574.25110	2.6
575.16241	5.9
575.30273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78922	1.4
55.01882	2.2
55.05510	7.3
57.03437	4.3
57.07078	50.2
60.05635	2.3
67.05515	14.1
69.07077	10.9
69.07546	14.5
71.04986	2.6
71.08634	35.2
71.09006	2.7
78.44951	1.5
79.05491	4.1
81.03422	3.8
81.07054	17.2
83.08629	13.8
84.12936	1.5
84.13615	1.4
85.10191	18.0
87.04473	51.2
89.06062	3.3
91.05504	2.1
93.07065	4.3
95.08611	32.1
97.10201	7.6
99.11755	1.7
105.07055	3.0
107.08620	4.3
109.02907	4.3
109.10171	14.9
110.03654	3.4
111.11751	1.5
117.07084	2.2
119.08590	3.3
121.06532	4.3
121.10184	3.5
123.11717	8.5
133.10149	2.3
135.11740	3.4
137.13278	3.5
145.10159	2.7
147.11691	2.5
163.11177	1.6
172.46985	1.7
191.00104	2.2
217.53778	1.7
221.22633	2.1
233.19150	1.8
239.23695	32.0
240.24269	1.7
240.74014	1.7
242.15765	1.6
256.26321	4.8
257.24814	3.0
277.21585	1.9
300.28903	6.6
300.55341	1.9
313.27365	100.0
314.27744	6.7
331.28445	9.8
414.17050	2.5
437.74112	2.0
511.33807	2.4
539.28589	2.2
574.23950	4.6
574.32196	3.1
574.40448	2.5
574.48596	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	575.1735
Annotation	Pabularin C
Peak:m/z	Relative Intensity
55.01874	0.8
55.05508	1.5
58.09450	0.4
61.02921	0.6
64.58150	0.4
67.05502	1.9
69.03432	3.0
69.07065	1.2
69.19146	0.4
69.78474	1.4
71.04980	0.6
79.05505	1.7
81.03430	1.8
81.07057	3.1
83.04980	0.6
83.08642	0.8
83.27261	0.4
85.02911	4.5
85.06552	1.0
87.00846	0.8
91.05493	2.1
93.07051	1.1
95.04981	0.9
95.08603	2.6
97.02902	2.3
97.06544	0.5
97.49020	0.4
99.04494	0.9
100.11253	0.8
100.13329	0.4
101.02369	0.5
105.01891	0.6
105.07052	1.6
107.04966	1.6
107.08598	0.8
109.02918	1.7
109.10171	1.4
111.04398	0.5
111.08102	0.5
115.05486	0.6
117.06998	0.6
118.53924	0.4
119.08584	1.1
121.10149	1.0
123.08057	0.4
127.03915	2.7
129.01790	0.4
131.08582	0.8
133.10144	1.0
135.11670	0.4
137.05983	0.7
145.05031	0.6
145.10115	1.0
147.11743	0.5
149.02336	0.5
153.01831	0.6
157.10106	0.5
159.11658	0.6
165.09103	1.0
167.07054	0.5
174.95995	0.5
175.14856	0.7
187.11322	0.7
203.05342	1.8
210.14989	0.6
251.06647	0.7
259.07959	1.1
287.05457	2.6
291.23376	0.5
309.24579	0.9
347.09476	13.7
471.25351	0.5
575.17352	100.0
576.17639	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	575.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50047	0.2
69.03418	0.2
69.97263	0.2
70.06590	0.6
71.05000	0.3
71.31768	0.3
72.08141	0.3
84.08128	0.3
84.50076	0.2
85.02909	0.7
86.09721	0.8
91.05479	0.3
95.04971	0.3
107.04974	0.3
109.02895	0.3
128.06189	0.3
129.07056	0.5
137.06029	0.3
141.06970	0.3
159.04190	4.2
161.06000	0.4
163.03864	0.2
185.04282	1.3
205.04750	0.7
245.07883	0.3
293.29196	0.2
309.09348	0.6
397.12604	1.2
411.13898	0.3
412.14981	1.8
413.15726	5.6
414.16223	0.3
544.19977	0.3
575.20959	100.0
576.21326	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	575.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15860	1.2
54.24805	1.3
55.05509	2.6
56.05037	7.9
58.06588	2.6
60.04530	20.7
69.26653	1.5
70.06597	8.9
70.20414	1.9
70.20732	2.6
72.08157	25.8
74.06093	6.9
81.43497	1.4
83.06094	3.9
84.04506	81.2
84.08138	9.2
86.09708	9.8
87.05559	2.2
91.05531	1.5
98.09703	2.6
98.23296	1.4
101.07141	68.2
102.05553	11.8
102.07478	1.7
110.09597	1.4
111.05590	1.7
112.03962	35.7
112.07589	2.2
121.05116	1.2
122.06019	6.1
125.07083	1.6
128.10683	1.3
129.06602	37.8
129.10234	5.5
130.05008	13.9
138.09184	1.6
139.05034	2.4
139.08632	2.1
140.07068	6.6
147.04370	1.5
150.05522	9.2
153.06618	5.1
155.11717	3.3
159.87393	1.3
161.05992	2.1
166.09781	3.9
167.08173	19.0
168.06580	1.7
170.09293	1.7
173.12843	9.7
181.06081	4.7
184.10808	4.7
185.09196	5.5
194.09273	13.4
195.07631	18.7
197.12790	1.9
198.08768	4.0
201.12340	4.8
207.06487	4.0
212.10313	28.4
213.08768	2.9
217.15436	1.6
230.11497	1.8
236.10332	1.8
240.09790	33.9
242.05853	1.7
244.25713	1.4
258.10864	9.9
264.09811	3.6
266.14954	3.0
311.16998	2.2
313.15118	1.9
315.12842	5.1
323.13562	7.4
324.11975	3.1
331.15982	2.4
341.14551	100.0
342.15012	3.0
359.15607	28.8
360.16013	3.0
412.21915	4.8
440.21365	42.8
441.21643	2.1
458.22504	3.0
557.28870	4.0
575.16705	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	575.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.1
53.03956	2.6
53.52528	1.1
55.01874	1.4
55.05516	18.3
57.03431	1.8
57.07078	46.2
63.01398	1.0
65.03936	3.5
67.05508	80.1
68.05840	1.8
69.07056	25.7
69.07655	4.1
69.96178	1.0
71.04990	1.6
71.08636	33.8
77.92701	1.2
79.05492	18.8
81.07061	83.5
83.08627	21.9
85.06587	2.3
85.10188	19.5
87.04464	4.8
90.41779	1.1
91.05496	13.2
93.07052	17.7
95.08611	73.8
96.09068	1.4
97.06533	3.3
97.10180	11.0
98.22610	2.0
105.07013	7.5
107.08598	9.9
109.10157	32.4
110.10503	1.0
111.11714	3.7
119.08562	6.6
121.10168	8.4
123.11711	15.9
125.09730	1.3
125.13342	2.0
133.10136	7.6
135.11714	4.8
137.05949	1.6
137.13280	8.1
147.11736	4.1
149.13289	5.5
151.14789	2.2
161.13281	3.8
163.14857	3.3
175.14806	1.5
177.16393	1.5
189.14517	1.2
189.16222	1.6
208.97583	1.0
221.22523	1.1
239.19258	1.0
239.23666	10.4
239.25687	1.2
245.22682	1.7
263.23734	9.8
277.18079	2.0
313.27512	3.1
319.26236	1.7
492.37714	1.5
519.82770	1.3
575.36829	4.4
575.50360	100.0
576.07953	2.0
576.50854	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	575.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52077	1.7
53.03944	2.5
55.05505	7.9
57.07076	13.8
59.04992	4.1
59.05301	1.6
66.03874	1.7
67.05507	17.1
69.07067	15.3
71.04601	2.5
71.04994	51.0
71.08633	9.2
79.05474	11.7
79.38251	2.1
81.07067	22.5
83.08617	7.9
85.10194	4.2
85.81383	2.1
91.05489	8.9
93.07047	20.0
95.04958	3.5
95.08616	25.9
96.08948	1.9
97.06543	26.8
97.10173	4.6
105.07043	15.7
107.08609	28.0
109.06538	3.5
109.10184	23.4
111.08112	4.8
113.06042	2.7
115.07579	100.0
117.07034	3.1
119.08595	19.2
121.10143	26.1
123.08072	3.2
123.11729	11.8
125.09626	8.5
127.11233	3.0
131.08553	5.8
133.10143	23.1
135.11699	30.0
137.13261	4.6
143.08554	5.1
143.10672	5.3
145.10114	12.0
147.11696	14.5
147.53271	2.0
149.13255	8.2
157.10114	5.1
159.11708	16.0
161.13298	9.1
163.14830	4.1
171.11694	6.5
173.13254	10.8
175.14803	5.3
177.12674	3.8
177.16260	2.5
183.11745	3.6
185.13327	4.5
187.14909	8.9
189.16400	10.8
191.18063	2.6
195.13727	10.6
197.13300	3.8
199.14861	8.7
201.16377	18.3
203.17993	5.3
211.14899	2.4
213.14848	6.6
213.16444	5.5
215.17915	5.6
217.19568	2.6
223.14856	2.5
225.16328	2.2
227.17917	6.5
229.19511	7.5
231.17494	2.7
231.21120	3.8
233.19116	2.4
239.17923	3.7
240.24062	4.2
241.19501	5.3
243.21040	5.8
253.19505	2.2
255.21082	4.3
257.22516	3.6
267.21210	2.3
279.21408	2.3
285.22028	4.2
295.24408	8.9
297.25769	11.0
313.27536	5.6
314.27774	11.8
325.29037	9.0
326.04382	2.0
335.27344	7.9
353.28415	6.2
367.29785	2.2
401.96115	2.1
403.33737	3.5
421.34753	22.2
422.35022	2.7
439.35864	23.6
440.35986	2.1
453.33652	3.4
457.36722	8.3
539.40887	6.7
554.89423	2.7
557.42395	5.3
575.34662	2.8
575.43896	22.1
576.43298	3.4
583.00806	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	576.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	23.7
55.01866	8.2
55.05505	4.8
57.03420	4.9
60.04509	3.8
61.02950	6.5
65.03938	9.4
67.05499	10.7
69.03430	19.8
70.06593	7.1
71.04999	100.0
71.30643	4.1
79.05502	23.8
81.03421	25.0
81.07051	7.5
83.05008	3.8
84.08131	3.0
85.02901	48.5
86.09704	7.6
86.83990	2.8
91.05487	39.0
93.03416	5.5
93.07041	7.8
95.04971	8.6
95.08614	3.3
97.02914	14.3
97.06537	6.1
102.12746	3.8
103.05484	12.2
105.03449	3.2
105.07026	18.8
107.04968	8.9
107.08614	4.5
109.02903	13.0
109.32822	2.8
110.07304	3.6
111.04393	3.2
115.05447	31.2
117.07025	19.4
119.08582	6.6
121.06473	3.9
123.08102	3.1
127.03921	11.6
127.05374	3.5
128.06223	84.3
128.07100	5.3
129.07021	75.1
131.08577	11.6
132.04408	3.1
133.06488	5.6
137.05952	3.3
141.07031	25.2
142.07782	14.5
143.08580	23.4
145.04961	14.5
145.06494	13.3
147.04384	3.4
147.08061	3.5
152.06247	6.6
153.07008	32.6
154.07826	13.3
155.06039	12.5
155.07297	4.6
155.08551	38.1
156.09322	8.8
157.06491	26.2
157.10121	7.0
158.07249	4.1
163.06038	6.1
165.06992	43.1
166.07744	20.0
167.08684	3.0
169.06529	4.4
169.10150	3.7
170.07234	3.3
171.08063	12.1
173.09637	3.6
173.13286	3.2
178.07706	4.8
180.27182	2.9
184.08926	3.9
187.14525	4.3
199.11189	22.9
217.04668	5.1
217.12248	21.7
218.05576	6.0
237.14778	2.7
302.10251	2.7
359.72812	2.8
415.13635	3.2
472.45282	3.2
576.23303	7.6
576.31366	13.6
577.18304	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	576.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.0
55.01867	9.9
55.05505	7.9
55.89811	2.9
57.03433	10.3
58.79959	2.6
61.02926	7.9
65.03934	16.2
67.05511	13.3
68.06227	3.0
69.03426	29.4
69.09045	22.7
69.93401	2.7
70.06626	4.0
71.04994	83.7
71.14184	2.9
73.02911	7.6
79.05492	24.3
81.03426	15.3
81.07050	3.7
85.02905	100.0
91.03962	3.6
91.05473	32.6
93.07056	9.4
95.04978	11.3
97.02907	25.3
97.06516	5.4
99.04434	6.0
103.05485	13.1
105.07064	13.1
107.04943	5.7
109.02888	12.7
109.06549	4.0
115.03970	3.7
115.05458	43.9
116.06213	3.4
117.07029	16.6
119.04980	4.4
121.06538	4.8
127.03916	17.3
128.06223	89.5
129.07018	74.9
130.07837	3.4
131.04956	4.7
131.08568	8.4
133.04982	7.2
133.06502	7.6
134.07275	6.5
135.08034	4.6
137.05992	5.2
141.06981	32.1
142.07780	13.7
143.08565	19.0
145.04953	33.9
145.06464	11.6
148.40906	2.7
152.06227	13.1
153.07004	33.2
154.07758	14.7
155.06017	12.4
155.08559	34.1
156.09302	6.7
157.06487	25.7
157.10106	7.9
158.07315	8.1
161.09566	3.0
163.06020	18.2
165.06999	59.1
166.07779	17.5
166.96669	3.6
167.08560	5.2
168.33844	3.0
169.06461	7.3
169.10149	9.4
170.07285	5.5
171.08070	12.9
175.07437	3.0
178.07773	4.7
179.08466	3.4
184.08846	5.3
199.11172	54.5
201.12436	3.5
217.12248	7.5
235.75218	2.9
259.08151	4.2
288.53143	2.8
295.10242	4.9
296.96268	2.9
576.30438	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	576.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.0
53.54024	2.0
55.01880	7.3
55.05508	7.5
56.81589	2.1
56.90358	2.4
57.03437	5.4
61.02930	4.9
63.02389	2.1
65.03956	10.9
65.95009	2.3
67.05515	6.7
69.03440	19.8
70.06561	2.7
70.98997	3.1
71.04596	5.0
71.04994	100.0
79.05493	29.5
81.03419	17.0
81.07055	8.3
83.04972	3.7
85.02904	43.5
85.06535	2.5
86.09721	5.2
89.03938	3.4
91.05481	38.6
93.03403	4.4
93.07063	7.8
95.04985	8.1
95.08629	3.5
97.02888	10.2
97.06538	6.0
99.04469	3.6
103.05463	12.8
105.03414	4.3
105.07032	20.0
107.04955	8.4
107.08605	3.2
109.02868	16.3
109.06530	5.1
110.07296	2.4
115.05464	34.2
115.66022	2.2
117.07031	19.2
119.04941	2.7
119.08613	5.6
121.06535	2.8
121.10172	1.9
127.03886	10.1
127.05455	2.5
128.06216	67.6
129.07016	66.7
130.07787	3.0
131.04930	4.5
131.08589	7.6
133.06509	6.1
133.10184	3.5
135.08072	3.7
137.47281	2.4
141.07018	21.4
142.07759	10.7
143.08559	26.4
145.04984	9.3
145.06476	12.0
147.08040	3.9
152.06198	7.5
153.06995	26.2
154.07755	9.2
155.05984	11.3
155.08537	28.4
156.09346	7.0
157.06485	25.4
157.10118	5.5
158.07214	3.8
163.06038	3.6
165.06992	39.3
166.07787	17.5
167.08644	3.3
169.06543	4.3
169.10107	5.4
171.08037	10.9
173.46870	2.1
179.08652	3.9
183.08046	2.8
187.14429	2.4
199.11195	22.2
217.04709	4.8
217.12227	26.9
226.40897	2.4
576.30133	6.6
577.18365	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	5.1
53.03941	18.9
55.01878	41.2
55.05508	16.2
56.05038	4.8
56.07209	4.4
57.03429	10.4
61.02924	11.8
62.31676	3.7
65.03945	14.7
67.05503	30.6
69.03368	45.2
69.07063	15.9
70.06605	5.4
71.04609	4.6
71.04996	78.6
73.02916	13.0
76.93790	4.0
79.05497	67.4
81.03424	19.7
81.07066	33.0
83.04598	4.1
83.04994	37.8
83.08606	4.8
84.08169	5.6
85.02911	100.0
85.06541	10.4
86.09703	6.9
87.04465	6.8
89.83763	5.0
91.04961	8.2
91.05484	96.6
93.03407	12.5
93.07036	41.4
95.04971	81.3
95.08591	13.8
97.02898	36.7
97.06523	46.1
99.04437	12.1
101.02373	9.2
103.05457	20.4
105.04511	6.9
105.07037	54.8
107.04975	31.7
107.08582	19.7
108.59592	4.0
109.02891	47.6
109.06527	16.6
109.10119	4.9
111.00804	5.8
111.04440	6.3
111.08086	21.0
115.05453	49.8
115.07576	6.4
116.06223	9.5
117.07034	43.5
119.04891	10.6
119.08597	19.1
121.06516	25.1
121.10152	6.8
122.61279	4.6
123.04431	5.1
123.08077	6.6
123.11687	9.2
124.98392	4.8
127.03906	21.8
128.06216	68.3
129.07016	91.9
130.07797	6.2
131.04930	10.2
131.08574	21.4
133.04987	5.1
133.06505	25.9
133.10130	7.1
135.08025	20.0
137.05975	7.3
139.07497	5.3
140.65932	4.4
141.06987	39.4
142.07803	30.1
143.03400	5.5
143.08586	40.0
145.04979	28.8
145.06444	22.9
145.10115	12.4
147.08038	16.4
147.11646	8.4
149.05978	4.8
151.07524	6.7
151.11172	7.7
152.06242	6.9
153.06999	21.4
154.07724	9.4
155.06075	11.2
155.08566	34.0
156.09331	13.2
157.06557	5.8
157.10143	29.3
158.07220	6.2
159.08034	12.7
161.04446	23.5
161.05823	8.0
163.06035	7.2
163.07495	8.9
165.06976	31.1
166.07785	18.3
167.08438	5.0
169.06433	12.1
169.10126	6.2
169.12248	20.0
171.02843	8.3
171.08093	32.9
171.11752	7.9
172.31078	4.3
173.09596	15.9
175.07568	10.6
175.11168	13.9
177.05499	4.1
181.10173	10.3
183.08046	10.0
184.08818	9.4
187.11214	5.9
187.14539	4.8
189.09090	6.3
193.12302	13.1
197.09601	5.0
199.11150	48.2
201.05585	4.9
211.13312	17.8
217.12267	35.1
231.05008	12.9
235.04172	6.1
235.13344	8.6
259.13254	7.1
270.61411	4.3
271.13245	4.7
329.15881	13.6
353.16202	6.1
411.77521	4.4
435.81229	5.5
538.14691	5.1
576.20917	24.1
577.19849	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	576.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
54.04716	2.2
55.01868	9.0
55.05511	5.1
57.03443	3.7
58.00599	1.9
61.02925	7.4
65.03949	17.7
65.37260	2.0
67.05507	15.7
68.92963	2.1
69.03435	35.3
69.07034	2.2
69.48412	13.6
70.06599	6.8
71.04993	20.1
72.08154	3.7
79.05495	33.5
81.03412	8.6
81.07051	8.2
83.04993	4.7
85.02909	54.3
87.04465	2.5
91.05491	35.5
93.03413	36.2
93.07065	5.2
95.04983	13.5
95.08646	3.5
97.02893	9.8
99.04498	3.5
103.05473	14.0
105.04530	5.2
105.07038	26.4
107.04961	4.7
109.02878	6.2
111.08119	3.7
115.05470	35.6
117.06998	11.1
117.20151	2.6
119.04971	4.6
119.08588	4.7
121.06492	7.3
123.08087	8.2
127.03933	7.8
127.05446	4.9
127.07574	6.1
128.06229	95.4
129.07019	89.3
131.04910	6.1
131.08563	7.4
133.06482	7.7
135.08081	2.6
137.06036	5.2
141.06999	24.7
142.07796	21.7
143.08585	24.7
145.05077	11.5
145.06453	23.3
147.08098	4.1
152.06186	8.4
153.07002	49.4
154.07780	25.3
155.06061	16.7
155.08562	79.9
156.09293	10.1
157.06555	15.1
157.10149	10.9
158.07248	3.7
161.06049	3.1
163.05943	3.4
165.07005	22.9
166.07866	11.1
169.06502	5.9
170.07275	5.7
171.08086	10.2
171.11737	5.2
173.09552	5.3
175.07520	3.2
181.10072	4.0
183.08066	4.3
184.08865	3.7
193.12305	2.6
199.11185	100.0
200.11574	4.7
201.84128	2.3
217.12271	16.4
226.02806	2.6
281.28232	2.2
332.82187	2.7
576.21075	7.2
577.20569	4.4
582.23285	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01875	12.2
55.05519	12.6
57.03431	9.8
57.60441	4.7
58.49634	4.1
60.39392	3.8
61.02942	10.7
65.03947	8.0
67.05511	14.2
69.03433	35.9
69.07049	5.6
69.96149	15.1
70.06606	6.2
71.05000	17.5
71.52821	4.3
79.05502	25.5
81.03426	14.6
81.07062	14.1
81.40445	4.3
82.92342	4.3
83.04987	5.3
85.02908	100.0
87.04459	4.8
91.05508	22.9
93.03406	33.6
93.07063	12.0
95.05000	10.8
95.08628	9.8
97.02904	19.3
99.04480	5.8
103.05499	5.5
105.07050	24.0
107.04905	5.0
107.08611	6.1
109.02941	5.9
110.67119	4.0
111.00828	5.4
111.08094	8.4
115.03936	5.5
115.05471	25.3
117.07039	12.2
119.08611	6.5
121.06544	8.2
123.08092	7.5
127.03937	20.7
128.06232	71.8
129.01920	4.2
129.07013	63.4
130.07803	4.8
131.08574	9.2
133.06477	5.2
135.08124	5.9
135.72366	5.1
141.07018	17.4
142.07787	11.2
143.08539	24.1
145.05003	29.3
145.06473	14.2
147.08115	11.1
152.06282	5.0
153.05829	4.3
153.06955	29.2
154.07773	20.4
155.06058	10.5
155.08562	54.9
157.06519	10.2
157.10124	14.9
161.04411	7.3
163.06053	15.9
165.07065	15.5
166.07715	8.7
169.12323	7.7
171.02884	7.4
171.08086	5.2
171.11699	6.7
189.16386	5.6
199.11208	69.6
211.13493	4.9
217.12236	17.5
280.01529	4.9
288.21701	4.6
318.43338	5.3
550.79193	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	576.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50696	1.5
51.02375	3.0
53.03946	7.3
55.01872	55.9
55.05509	13.3
57.03423	8.4
57.07080	2.5
61.02924	19.5
63.16405	1.5
65.03931	11.1
65.95677	1.7
67.05505	35.9
68.99789	1.8
69.03429	23.6
69.07069	23.0
70.06573	1.4
70.90921	2.8
71.01357	1.7
71.04991	24.4
73.02917	24.7
77.03951	2.0
79.05496	41.1
79.46202	1.6
81.03417	7.8
81.07056	77.1
83.01346	8.2
83.04983	41.4
83.08609	5.0
85.02907	36.4
85.06546	8.7
87.04476	4.3
91.03961	1.8
91.05481	47.6
93.03409	24.7
93.07047	60.7
95.04967	40.9
95.08606	34.3
95.09157	1.4
97.02888	12.0
97.06525	26.2
99.04440	11.7
101.02385	33.3
103.05476	11.2
105.04507	4.0
105.07027	62.9
107.04960	6.0
107.08591	32.1
109.02873	4.8
109.06522	19.0
109.10109	8.0
111.00153	1.8
111.00800	11.0
111.04449	2.7
111.08081	74.4
113.06018	5.2
115.03932	9.1
115.05453	27.4
115.07581	2.7
117.07044	15.2
119.04956	3.4
119.08578	23.6
120.92140	1.8
121.06508	28.7
121.10137	7.8
123.08048	12.2
123.11712	33.6
125.06005	10.9
127.03922	7.5
127.05443	2.2
127.07544	8.2
128.06219	66.7
129.01862	7.4
129.07011	61.4
130.07800	4.8
131.04895	2.7
131.08578	7.9
133.04971	5.8
133.06487	8.0
133.10121	27.3
135.04521	2.1
135.08057	16.5
137.05974	5.2
137.09644	2.4
139.07527	15.2
140.06213	1.8
141.05449	2.1
141.06989	21.0
142.07780	18.3
143.03403	10.0
143.06993	3.6
143.08553	20.6
145.05005	10.8
145.06461	15.8
145.10139	6.4
147.02881	5.0
147.08104	4.5
147.11687	58.7
149.09607	3.3
149.13272	6.0
151.07603	3.1
151.11179	20.2
152.06252	5.6
153.06993	38.1
153.08966	2.2
154.07741	16.4
155.06039	14.6
155.08548	60.1
156.09116	5.2
157.01372	1.9
157.06511	11.2
157.08798	3.2
157.10094	20.4
158.07275	3.3
159.06477	2.2
161.04453	97.6
161.13228	5.1
163.06075	4.7
163.11151	3.5
165.07004	13.5
165.12766	25.8
166.07820	9.6
169.06493	3.8
169.12241	76.6
170.12717	1.9
171.02881	14.6
171.08037	6.3
171.11671	9.9
173.09587	4.1
175.11180	38.7
181.10172	3.0
184.08823	2.7
189.03963	4.7
189.12706	11.7
191.10631	2.3
193.12247	61.6
194.12732	2.3
198.04353	2.5
199.11171	100.0
200.11508	4.3
207.13855	3.6
211.13289	77.7
217.12250	39.8
229.14389	3.6
231.04979	24.0
235.13242	21.6
243.08632	7.3
253.14261	8.8
257.10062	3.6
259.08105	3.8
293.14117	2.3
307.15393	2.6
311.14853	22.0
329.15891	19.2
335.14810	8.1
353.15942	19.4
381.15320	4.5
399.16525	20.0
423.16391	2.5
536.58081	2.0
576.18988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
53.82889	0.7
55.01868	7.6
57.03434	12.4
59.05000	1.4
61.02930	11.5
67.05475	1.0
69.03431	28.5
70.53252	1.9
71.01348	2.5
71.04993	2.7
73.02921	32.8
74.88892	0.8
79.05499	1.1
81.03418	6.9
81.07057	1.7
83.05005	1.6
85.02906	100.0
86.03242	1.2
87.04472	4.6
91.03966	4.7
91.05489	1.4
93.07069	0.9
95.04960	0.8
97.02893	50.3
99.04457	4.7
103.03951	2.6
109.02891	8.7
111.08101	1.0
115.03925	19.9
115.05305	0.9
127.03917	31.5
127.07539	1.0
129.06960	1.6
133.04967	31.8
143.53252	0.9
145.04961	52.3
147.04297	1.0
147.11736	1.0
161.04526	1.2
163.06018	34.2
163.11211	0.9
181.04958	1.8
193.04900	0.8
199.05965	1.0
199.11212	1.2
203.06036	0.8
211.13261	1.0
217.06955	1.5
223.06035	6.0
235.13341	1.3
241.07024	5.2
259.08151	10.3
265.16452	1.0
277.09235	2.1
290.01678	0.8
295.10217	8.3
299.01859	1.0
320.48380	0.9
325.11581	4.7
576.19238	1.0
576.30426	1.3
577.22327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94565	0.6
52.99058	0.6
53.03942	1.7
55.01865	6.0
55.05513	1.0
57.03440	13.4
59.04995	0.8
61.02927	13.5
64.24546	0.7
67.05520	1.2
69.03431	30.4
69.47568	1.7
69.47985	2.3
71.01356	3.2
71.04998	2.5
73.02919	32.7
81.03415	6.0
81.07050	1.0
83.04983	0.8
85.02905	100.0
86.03233	1.3
86.09682	0.8
87.04492	3.4
90.11304	0.8
91.03966	4.3
91.05486	1.6
93.07043	1.1
95.04962	1.2
95.08590	1.3
97.02894	50.1
98.03207	1.1
98.22674	1.2
99.04458	3.8
99.09348	0.8
101.02331	0.9
103.03959	2.5
105.07041	1.6
109.02895	8.3
111.08046	0.9
115.03931	19.3
117.05558	0.7
119.04904	0.9
121.50048	0.7
127.03916	30.9
127.07590	0.9
128.06212	1.9
129.06989	1.0
133.04965	36.1
139.03883	1.1
142.47305	0.7
145.04955	58.5
146.05321	1.3
147.04472	0.8
147.11630	0.8
151.03877	1.0
162.20316	0.9
163.06017	38.8
181.12239	0.7
193.04993	2.0
193.12262	0.8
199.05988	1.4
199.11188	1.0
200.11786	0.7
217.07173	2.1
217.12170	1.1
220.84207	0.7
223.06033	6.3
224.75906	0.7
235.13527	1.2
241.07109	7.1
242.07417	1.0
250.82611	0.9
259.08118	11.3
265.16370	1.7
277.09235	2.9
295.10278	7.6
325.11270	4.4
407.05182	0.8
551.26038	0.7
576.19519	1.5
576.29871	1.1
577.21631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01875	7.6
57.03437	12.5
59.04991	1.0
61.02932	10.6
67.05513	0.8
69.00813	5.9
69.01212	1.3
69.03431	29.4
71.01372	2.6
71.04996	3.1
73.02919	31.5
81.03430	6.1
83.01354	0.9
83.05006	0.8
85.02908	100.0
86.03236	1.0
87.04491	3.8
91.03957	4.6
91.05479	1.1
93.07048	0.9
95.05009	0.8
97.02896	55.9
98.03255	0.9
99.04449	4.1
103.03937	2.8
105.07006	1.2
107.04842	0.7
108.12622	0.6
109.02878	9.0
111.04469	1.4
115.03934	21.4
127.03915	30.4
128.04265	1.1
133.04967	33.4
141.07103	0.8
143.08583	0.7
144.44162	0.7
145.04959	55.5
163.06018	33.9
164.06340	1.1
169.04921	0.8
181.05124	0.6
193.04985	1.4
217.07071	2.7
223.06042	4.7
235.13075	0.8
241.07034	5.9
259.08127	11.4
260.08505	0.7
265.16528	2.0
277.09149	4.1
289.09229	0.8
295.10220	7.7
304.04382	0.7
325.11292	4.7
471.52231	0.7
563.67432	0.7
576.20648	0.7
576.30511	0.9
592.37653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01860	1.6
55.05515	18.8
57.03436	2.7
61.02917	2.5
67.05506	2.6
69.03425	7.6
69.07076	4.3
69.23982	9.8
70.06598	3.1
70.25533	1.4
71.05009	3.1
79.05492	6.3
81.03442	3.2
81.07063	7.4
83.08614	17.2
85.02906	37.2
87.04478	1.6
91.03965	2.0
91.05479	9.3
93.07031	6.2
95.08601	7.9
97.02908	8.8
97.06531	1.7
100.11256	2.0
105.07031	37.2
107.04972	11.4
107.08612	8.9
109.02861	4.3
109.06516	2.7
109.10166	4.1
111.08072	4.1
115.05460	1.9
117.07005	2.9
119.04966	1.8
119.08582	56.1
120.08907	2.3
121.06512	10.3
121.10131	3.8
123.08070	2.7
123.11716	2.2
127.03917	11.6
128.06224	2.2
129.06972	1.6
131.08559	2.8
133.10133	21.4
133.70201	1.6
137.09639	2.4
142.07735	2.3
143.08577	4.4
145.04955	18.6
145.10042	1.7
147.08038	2.8
147.11705	14.6
149.13280	2.5
157.10092	8.0
159.11668	3.8
161.05934	1.6
161.09653	10.3
161.13223	1.9
163.06053	6.4
167.93967	1.3
171.11728	2.2
173.13188	1.6
175.11200	5.0
175.14784	2.9
179.10628	2.3
179.90622	1.4
189.12753	4.2
189.16396	39.8
190.16718	1.9
199.14861	4.1
207.17337	3.4
217.15875	100.0
218.16176	4.0
235.16924	52.9
236.17238	2.4
265.24930	1.4
325.11276	2.3
379.21136	3.8
397.22443	7.3
398.94913	1.7
577.19641	4.0
577.28436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03800	0.3
57.50081	0.3
61.26992	0.3
61.80323	0.3
61.86643	0.3
63.54909	0.3
65.38113	0.4
69.03433	0.5
70.06586	2.0
72.08163	0.8
79.05499	0.4
81.03400	0.4
83.39777	0.5
83.72218	0.4
86.09705	1.3
86.10651	0.3
91.05521	0.4
97.02660	0.5
102.05537	0.4
110.07249	0.4
120.08091	0.4
129.10226	0.5
137.06053	0.5
146.79994	0.3
167.07016	0.7
169.04730	0.6
173.05865	0.5
185.04269	1.2
187.14453	0.6
200.04430	0.6
217.04726	38.8
218.05496	18.2
219.06123	1.1
245.07858	0.4
288.68631	0.4
363.10452	0.5
380.10779	14.6
381.11417	2.1
415.13693	8.7
449.61615	0.4
484.93704	0.4
529.16882	0.7
577.18896	100.0
578.19287	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	577.2259
Annotation	Sphenadilactone A
Peak:m/z	Relative Intensity
52.86018	0.3
55.01873	0.4
57.03433	0.9
61.02930	0.8
69.03437	1.9
70.03765	0.5
70.06604	1.9
71.05001	0.6
72.08153	0.4
73.02930	1.9
79.05499	0.9
79.55753	0.3
81.03421	0.7
81.21360	0.4
84.08118	0.5
85.02909	6.2
86.03241	0.9
86.09710	1.7
91.05482	0.5
91.98516	0.3
97.02905	3.5
98.03220	0.5
99.04493	0.3
103.05443	0.3
104.05298	0.4
105.07061	0.5
107.04939	0.4
107.08569	0.3
111.04224	0.8
115.03935	0.7
120.08109	0.6
121.06470	0.4
127.03944	1.3
128.04221	0.6
129.10303	0.4
133.04990	2.2
137.05978	0.4
145.04953	2.7
146.05350	0.8
159.04182	7.2
160.04762	0.4
163.06003	1.8
164.06422	0.8
167.07106	0.6
177.05458	0.7
185.04343	0.7
189.05240	7.8
190.06007	1.9
203.67082	0.3
217.04810	0.7
217.12109	0.3
218.05478	0.3
223.06288	0.4
235.13391	0.5
241.07149	0.4
295.10376	0.5
296.10562	0.4
308.11819	0.3
322.03168	0.5
322.10196	0.4
327.16150	0.8
381.11270	0.3
382.11575	0.6
399.14297	1.3
414.16565	1.6
415.17212	7.2
415.22287	0.4
524.96704	0.4
555.06030	0.4
577.22620	100.0
578.22943	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	578.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.3
57.07084	4.1
58.06608	2.3
59.41612	2.0
60.08162	6.9
67.05506	6.0
69.07056	9.3
70.08151	2.0
71.04973	1.7
71.07378	3.8
71.08646	2.2
76.48290	1.9
79.05499	7.6
81.07069	18.1
83.08614	3.0
86.09712	24.3
91.05475	10.0
93.07051	16.6
95.08606	29.0
97.06531	4.0
98.22487	1.6
102.09171	4.3
104.10750	100.0
105.07030	17.3
107.08598	24.8
109.06559	2.5
109.10157	14.2
111.08100	2.5
117.07040	3.2
119.08580	43.5
121.10162	27.3
123.08054	2.4
123.11701	16.7
131.08565	6.8
133.10139	15.5
135.08031	5.3
135.11691	11.5
137.09604	3.9
137.13251	2.8
143.08586	4.1
145.10141	22.1
146.98241	2.9
147.08104	4.1
147.11682	12.9
149.13269	26.5
150.13647	2.7
151.07611	3.4
151.11128	1.9
151.71495	2.1
156.97467	2.2
157.10133	8.1
159.08044	3.3
159.11726	21.0
161.09639	3.2
161.13307	10.0
163.07512	10.0
163.11217	2.5
165.09097	2.4
169.10210	3.9
170.10915	4.5
171.08098	3.8
171.11710	5.3
173.09657	3.7
173.13290	6.2
175.07567	2.4
175.11140	2.0
175.14908	2.8
177.09145	2.8
179.10733	4.0
182.99042	4.0
183.11678	3.0
184.93015	3.9
185.09686	2.2
185.13281	9.9
187.11195	27.4
187.14906	5.9
189.09132	19.3
189.12744	12.3
189.16400	31.6
191.10674	2.7
191.14566	2.2
191.17960	16.9
197.13194	2.7
199.11124	2.6
201.00150	8.3
201.12769	2.7
203.10712	5.4
203.14336	34.2
203.18172	2.6
205.12280	8.8
208.93146	5.2
210.94786	3.4
213.12749	4.6
215.14360	5.6
229.12273	32.1
229.15843	3.2
229.37830	2.7
230.12622	2.7
231.13835	17.0
233.15312	3.0
241.15927	3.2
247.13313	21.0
249.14871	12.1
249.18437	4.1
255.17433	2.5
259.16980	4.5
262.93982	2.8
268.00443	6.3
271.06076	5.7
273.18463	3.2
283.24167	2.4
283.99985	2.0
290.40826	2.0
322.01382	7.6
334.76276	2.1
357.20432	2.1
395.29611	4.5
419.29486	4.1
437.30649	12.7
447.86774	1.7
455.31650	37.4
456.31873	2.7
459.24545	2.8
465.29822	3.7
480.29132	2.0
483.30887	4.6
497.32211	2.3
501.31726	2.3
515.33862	21.1
518.31964	5.5
543.32343	4.2
604.88141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
58.66122	0.1
67.01868	0.6
68.99815	0.3
69.40172	0.8
71.04984	0.5
79.22141	0.1
85.02905	0.8
91.05486	0.4
104.72839	0.1
105.16536	0.1
119.04961	1.8
121.02885	0.7
127.03873	0.1
129.01759	0.2
129.05452	0.2
145.02864	0.6
153.01831	4.7
163.03899	0.5
171.02904	0.5
182.26172	0.1
203.07080	0.2
225.05435	0.3
229.05098	0.2
243.06393	0.3
247.06056	0.2
253.41702	0.1
271.06006	100.0
272.06357	4.3
433.11359	0.2
481.59445	0.1
579.17242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05508	0.1
57.03438	0.6
59.55664	0.1
63.15129	0.1
67.01849	0.3
68.99800	0.3
69.48377	0.4
71.04994	2.9
75.04453	0.1
81.03419	0.1
83.04974	0.1
85.02901	4.0
87.04472	0.1
91.05470	0.2
99.04371	0.1
109.02891	0.1
109.16082	0.1
111.00774	0.1
111.04473	0.1
117.07063	0.1
119.04935	1.3
121.02874	0.5
129.05490	0.9
145.02823	0.5
147.06429	0.1
153.01823	3.7
163.03885	0.4
165.17790	0.1
167.07077	0.2
171.02888	0.4
187.03896	0.2
196.49680	0.1
199.58952	0.1
203.07143	0.1
225.05421	0.3
229.04974	0.2
243.06497	0.2
253.04782	0.1
254.05791	0.1
271.05994	100.0
272.06348	5.3
272.08621	0.1
422.61008	0.1
433.11276	10.0
434.11597	0.8
579.20758	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	579.2071
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03929	0.6
55.01851	0.7
55.18365	0.2
57.03424	0.3
61.02896	0.5
65.03949	1.5
66.04701	0.3
67.05481	0.9
69.03434	2.1
70.06581	0.3
71.04955	0.5
73.02898	0.2
78.04713	2.2
79.05074	0.3
79.05495	1.7
81.03396	0.9
81.07044	0.4
82.04166	0.3
85.02908	3.3
86.03218	0.3
86.09695	0.4
87.04447	0.3
91.05460	1.5
93.03403	0.5
93.07072	0.3
94.04194	0.2
95.04945	0.9
96.05745	0.3
97.02886	1.1
97.06505	0.6
98.59194	0.2
99.04438	0.3
103.05480	1.4
105.04505	0.2
105.07045	0.4
106.04179	1.6
107.04952	2.2
108.02097	0.2
109.02888	0.6
109.06522	0.2
110.03642	0.7
111.04457	0.2
115.05453	3.9
116.06266	0.2
117.05217	0.2
117.07023	5.6
119.08552	0.5
121.02876	0.2
121.06516	0.3
122.03680	0.3
123.04431	6.5
124.05260	1.9
125.06001	0.5
127.03929	0.3
127.05432	0.7
129.06979	0.2
131.04872	0.3
133.06485	0.4
134.03618	0.4
135.04425	0.3
137.05957	0.9
138.03093	0.4
139.07487	0.2
142.02615	0.7
143.04907	0.5
145.02824	0.3
145.06494	9.2
146.06853	0.3
147.04575	0.2
147.08002	0.4
151.03932	1.2
152.04672	1.9
153.05441	0.6
155.06041	4.0
161.05975	0.4
167.07040	100.0
168.07361	3.2
168.30304	0.2
171.06520	1.1
173.05986	19.0
174.06374	0.7
175.03853	0.2
175.07547	0.7
177.05455	0.8
181.04958	22.9
182.05290	0.8
182.93388	0.2
191.06976	0.3
195.06522	0.3
201.05478	0.9
203.07048	0.2
205.08594	4.0
207.10172	0.3
221.08067	0.3
233.05824	0.2
233.08070	5.1
235.09641	4.2
265.08401	0.2
271.06003	3.2
272.06354	0.3
299.60309	0.3
369.13290	0.3
387.14374	16.1
388.14822	1.1
399.14432	0.3
417.15469	11.3
418.15930	0.8
557.75604	0.2
579.20734	31.9
580.20972	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.31424	0.2
55.01865	0.5
55.70671	0.2
57.03428	0.3
61.02900	0.4
61.58441	0.2
64.76450	0.2
65.03928	1.2
66.04687	0.3
67.05482	0.7
69.03436	1.8
70.06579	0.2
70.58221	0.4
74.60032	0.2
78.04700	2.0
79.05471	0.8
81.03402	0.8
81.07043	0.3
81.51826	0.2
82.04181	0.4
85.02900	2.4
91.05463	0.9
93.03416	0.4
95.04940	1.0
97.02880	0.9
97.06501	0.4
102.04733	0.2
103.05494	1.4
105.05470	0.2
106.04168	1.7
107.04980	1.2
108.02102	0.3
109.02882	0.4
110.03638	0.6
115.05445	3.7
117.07016	5.8
119.08556	0.2
122.03663	0.3
123.04424	5.8
124.05226	2.0
125.05994	0.4
127.05428	1.1
132.05663	0.2
134.03638	0.3
137.05952	0.6
138.03064	0.4
142.02611	0.3
143.04948	0.2
144.05667	0.4
145.06485	9.3
146.06772	0.2
147.08047	0.5
151.03902	1.0
152.04688	2.2
153.05440	0.9
155.04825	0.4
155.06009	3.3
155.07123	0.4
161.05984	0.4
167.07034	100.0
168.07362	3.1
171.06532	0.9
173.05980	20.1
174.06422	0.7
175.07544	0.5
181.04951	21.7
182.05301	0.8
201.05473	0.5
205.08598	4.3
221.08133	0.3
233.05743	0.2
233.08090	4.9
235.09641	4.4
280.07211	0.3
355.11975	0.3
387.14355	18.5
388.14645	1.5
417.15411	11.5
418.15723	1.1
539.79834	0.3
550.21863	0.2
579.20709	39.8
580.20984	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	579.2602
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
57.07077	0.4
65.25743	0.4
69.58807	2.5
71.32541	0.4
108.96391	0.4
120.09451	0.4
141.06834	0.4
167.81038	0.5
183.27159	0.5
199.94850	0.4
274.13348	0.5
287.14932	0.5
324.14923	0.6
338.16504	0.6
363.16223	0.9
364.16971	1.0
374.15695	0.5
375.16220	1.0
377.17609	2.3
378.18839	0.8
379.19250	2.4
389.17532	0.7
390.18744	0.8
391.15387	1.4
391.19608	0.9
392.15964	0.8
392.20386	1.1
393.20810	2.5
394.21097	0.6
403.19397	1.0
404.20038	0.5
405.16510	0.9
405.21402	2.3
406.17639	2.6
407.18396	1.5
407.22501	1.8
408.23270	0.8
417.21191	0.7
418.21756	0.5
419.18420	1.0
419.22839	1.1
420.15121	0.8
420.19650	0.6
421.20020	6.6
422.20782	0.7
431.18277	0.5
433.15912	2.2
433.24454	0.9
434.17224	1.7
435.17252	6.0
435.22714	2.0
436.22772	11.7
437.23425	2.1
445.20010	1.1
447.22574	4.6
448.18552	3.1
449.19257	11.0
450.24396	1.5
452.22168	0.6
459.22327	0.5
460.22638	1.6
461.19467	0.9
462.20654	1.7
463.21222	9.7
464.21729	2.7
465.22690	0.8
474.24387	1.1
475.21002	11.1
476.21423	2.1
477.22971	5.1
487.21054	0.5
488.21976	0.7
491.24716	2.3
492.21506	17.5
493.21713	2.7
494.23529	0.6
501.23019	1.3
503.24893	3.0
507.27576	1.5
508.24518	0.6
519.23962	2.8
522.22449	0.9
523.27106	12.5
524.27753	1.0
533.25592	2.1
534.25494	0.6
535.27100	3.9
536.24969	0.8
547.23224	2.7
551.26520	30.3
552.26990	3.3
561.24805	1.3
579.26019	100.0
580.26349	15.1
580.39923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74547	1.2
54.60757	1.2
81.07044	2.1
96.57833	1.5
115.03677	2.2
117.31432	1.6
121.82021	1.2
124.93765	1.8
149.02098	3.1
155.91325	1.3
156.96390	1.8
230.99338	4.5
249.00371	4.5
271.05869	2.5
341.05072	4.7
347.83542	1.3
353.26633	100.0
354.26996	5.5
434.08475	1.7
494.23273	5.2
535.65118	1.7
561.26263	2.3
579.27893	11.3
579.39978	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.6
51.37645	0.6
52.52319	0.7
53.03952	3.3
55.01875	4.0
55.05273	0.8
55.05513	10.5
57.03434	3.3
57.07080	3.5
61.02919	0.6
65.03927	2.4
65.92647	0.7
67.05508	59.3
69.03427	4.4
69.06725	0.8
69.07072	10.3
71.04987	2.6
71.08631	2.1
71.30408	1.1
73.02900	3.0
74.76348	0.6
75.04521	0.7
77.03960	0.7
79.05495	35.2
81.03418	5.8
81.07060	64.1
82.07376	0.8
82.66891	0.7
83.04974	1.9
83.08617	5.2
85.02907	4.8
85.06533	2.3
85.10170	1.0
91.05484	20.3
93.07049	48.4
94.07366	1.0
95.04964	3.0
95.08611	47.5
96.08963	1.0
97.02898	2.2
97.06525	3.0
97.10171	3.6
98.98457	4.8
99.04474	3.5
99.08089	3.5
104.10742	2.8
105.04539	1.1
105.07035	20.1
106.07349	0.9
107.08594	37.1
108.08917	1.1
109.02888	8.3
109.06522	1.8
109.10158	32.0
110.03713	3.8
111.04463	3.8
111.08084	1.9
111.11681	1.5
113.09652	1.5
115.05427	0.9
117.07025	9.3
119.08585	16.4
120.27796	0.6
121.06539	0.9
121.10148	31.4
122.10497	1.4
123.08079	2.8
123.11707	17.6
125.09623	2.3
127.03928	4.2
127.11249	0.8
129.07010	2.7
131.08572	18.6
132.08916	1.3
132.99564	1.0
133.10130	16.1
135.08095	1.6
135.11694	25.9
137.09624	2.6
137.13243	7.0
139.11195	2.1
143.08540	2.6
144.09322	0.9
145.10130	15.5
146.10783	0.6
147.11700	10.7
149.09639	2.0
149.13258	16.6
150.13684	0.8
151.11151	1.6
151.14812	2.2
153.12689	1.6
155.01045	5.2
156.09380	0.8
157.10097	1.4
159.11685	13.2
160.11995	0.8
161.13248	9.3
162.13640	0.7
163.07590	0.6
163.11174	2.5
163.14821	10.5
165.12740	1.5
167.10745	1.4
167.14288	0.8
169.10106	1.3
171.11679	2.1
173.13272	16.8
175.14856	4.9
177.12761	1.2
177.16367	4.2
179.14317	1.4
181.10199	0.7
183.11676	1.1
185.09679	1.0
185.13246	1.3
187.14819	8.4
189.12729	0.9
189.16420	2.7
191.00046	3.4
191.14268	2.0
195.11703	0.8
197.13322	1.3
201.16354	3.4
203.17940	0.9
205.15887	1.6
209.01091	0.8
209.13197	0.8
215.17996	1.6
219.13538	0.7
219.17471	1.1
221.15434	0.8
233.22618	3.4
243.21100	23.7
244.21353	1.5
245.22624	1.1
253.15482	0.8
259.20679	1.2
261.22144	100.0
262.22470	5.6
263.23709	3.5
271.06046	4.9
279.23218	2.5
287.05466	1.1
303.23108	1.8
304.23672	0.6
317.24823	1.1
335.25809	9.1
336.26013	1.2
337.27402	3.2
353.26874	65.8
354.27219	3.8
369.24377	2.1
371.25620	0.8
377.26859	1.4
387.25372	0.9
389.26883	0.9
433.20203	0.9
439.32791	0.7
443.27798	1.9
451.21506	3.4
466.30933	0.9
469.22400	1.8
487.23376	0.7
524.58984	0.7
561.27240	5.1
579.27179	3.4
579.38525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	2.3
55.05503	5.8
65.65753	1.8
67.05503	7.5
69.03429	8.1
70.06595	7.9
70.64034	2.1
71.05000	5.2
72.08165	5.4
79.05510	10.1
79.64697	1.6
80.18029	1.8
81.03429	2.6
81.07052	6.6
83.04981	3.9
84.08139	3.2
85.02917	8.9
85.06587	2.4
86.09709	6.7
91.05495	6.6
93.07037	5.6
95.04979	5.1
95.08604	5.9
97.02876	3.7
99.04463	10.0
104.31895	1.9
105.07040	17.1
107.04961	13.1
107.08593	5.7
109.02885	4.5
109.10154	18.0
110.07195	2.4
111.04470	3.2
111.08120	2.0
115.05486	3.0
117.07057	2.7
119.04911	4.6
119.08572	9.8
120.08109	8.7
121.06530	4.7
121.10184	2.2
125.05986	2.3
127.03968	4.3
129.07018	3.9
133.06552	3.2
133.10129	13.8
135.04404	2.5
137.05966	3.0
137.09619	25.0
143.08582	6.6
145.06427	2.3
145.10127	3.3
147.08037	7.2
147.11649	3.1
153.01852	10.5
161.09615	46.9
163.07500	2.8
163.11148	1.9
165.09132	32.9
167.07060	18.5
168.07381	5.3
173.05977	2.3
177.05437	4.4
179.05519	6.1
179.10667	6.0
181.04982	6.0
189.09084	10.8
191.06966	2.6
193.08546	3.3
203.17960	8.1
204.34413	1.9
207.10156	46.8
207.11951	3.8
208.80681	1.9
220.17816	2.8
225.11203	22.5
255.06589	2.3
256.06906	5.5
271.06018	60.0
272.06348	74.6
273.06369	3.4
287.05496	100.0
360.07162	3.6
365.12402	8.5
383.13303	6.9
388.14612	3.2
548.16278	23.1
549.16394	5.2
580.12213	2.6
580.20697	11.4
581.21356	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	580.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
58.45211	1.6
69.03425	2.9
70.90714	3.3
77.78707	1.9
79.05470	2.4
81.03413	2.8
81.07028	2.8
85.02914	10.0
91.05457	2.1
95.04958	2.0
97.02896	2.9
98.28629	1.7
103.05472	3.3
105.07052	16.0
109.06533	3.0
115.05475	4.3
122.03632	3.9
128.06232	2.5
131.04947	5.5
133.06491	14.0
137.05975	58.8
145.04955	2.0
146.03625	4.7
155.04884	2.0
161.05983	100.0
162.06482	3.8
162.49890	1.6
167.07016	4.0
168.07510	1.7
177.05405	2.1
181.04977	2.7
191.08549	3.8
199.07542	17.0
200.07936	1.9
202.07796	9.1
203.08607	19.4
203.18007	1.8
215.08578	2.4
219.08011	9.1
220.08896	10.4
222.06822	3.6
230.07254	2.1
231.08034	34.8
232.08783	7.7
233.06013	2.6
233.09601	2.1
234.06760	5.6
235.07440	4.6
236.08313	3.1
237.09160	5.9
247.07573	7.3
248.08325	21.1
249.09000	5.0
251.10696	2.1
258.06763	3.0
259.07559	32.5
260.08295	27.9
261.08896	4.0
262.09872	2.9
263.07040	3.2
263.10657	18.2
265.08560	6.4
271.06070	2.2
272.06393	3.4
275.07031	4.9
276.07797	15.3
277.08588	3.4
279.10126	2.6
291.10144	91.4
292.10547	10.7
293.08023	2.5
296.10419	1.8
308.10214	3.3
309.11191	66.8
310.11584	4.0
311.13031	2.4
323.12766	90.0
324.13049	7.3
341.09613	3.2
341.13818	63.8
342.14240	3.4
352.39902	2.0
454.31708	1.6
535.20947	1.8
580.22504	20.5
581.21588	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	580.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.0
55.05512	13.2
57.03439	4.4
61.02928	5.6
65.03937	3.5
65.48391	2.2
67.05182	3.3
67.05508	35.6
69.03432	14.8
69.07065	16.5
69.22023	13.8
69.22424	3.3
70.81161	2.6
71.08619	2.3
73.27045	2.4
79.05495	24.5
81.03414	7.6
81.07063	72.1
83.04990	6.0
83.08617	3.8
83.32580	2.4
85.02908	46.0
85.06574	5.6
91.05484	27.1
93.07051	45.7
95.04972	5.6
95.08610	82.0
96.08892	2.9
97.02875	13.6
97.06531	4.9
97.10168	4.2
99.04414	4.2
100.02516	2.4
105.07036	67.8
105.07752	3.4
106.04153	2.7
106.07370	2.7
107.07863	5.2
107.08601	80.7
108.08930	3.2
109.02908	4.8
109.06534	4.1
109.10155	57.5
110.10509	2.2
111.04406	2.4
111.08062	2.9
116.52670	2.3
117.07005	3.6
119.08587	53.0
121.10159	28.8
123.11704	16.2
125.09589	5.0
127.03922	12.0
131.08559	4.9
133.10139	35.7
135.11691	16.2
145.04982	13.1
145.10126	8.9
147.11690	62.1
148.09662	4.1
149.13284	6.7
151.11200	6.9
157.10214	2.4
159.11664	6.2
161.04558	2.6
161.13277	21.0
163.06046	8.6
163.07387	2.3
163.14813	19.5
165.12762	3.1
167.07048	6.7
169.70757	2.3
173.13324	2.9
175.11147	2.4
175.14781	11.2
177.16437	2.7
187.14815	5.7
190.89674	2.6
200.95790	2.3
201.16261	4.9
203.17963	100.0
204.18262	5.1
205.15915	3.5
221.19008	7.6
223.16833	3.6
229.15923	4.4
239.40691	2.4
247.16882	7.0
248.17215	3.7
265.17975	3.7
271.05994	9.4
272.06369	7.5
288.38235	2.6
365.19461	5.4
379.37772	2.4
383.20502	3.9
400.30670	3.2
401.22095	3.4
499.59070	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.8
57.07080	9.1
67.05511	22.1
68.05840	3.0
69.03413	3.0
69.07075	17.8
69.15379	4.9
69.15779	19.5
71.08639	3.4
75.08598	2.6
79.05490	16.1
81.03414	3.2
81.07061	35.9
82.05569	2.9
83.04951	3.4
83.08625	8.3
85.06559	4.3
90.10394	2.9
90.29348	3.3
91.05488	18.8
93.07053	37.2
95.04971	7.8
95.08610	60.1
96.08923	5.6
97.06534	10.3
97.10172	5.4
98.98475	14.7
99.04461	4.8
99.08078	7.7
105.07037	41.4
107.08599	59.1
107.09296	5.2
109.06530	6.2
109.10161	45.9
109.26638	2.9
110.10509	3.5
111.08074	4.2
115.13792	2.8
117.07025	6.5
119.08585	67.8
120.08929	6.3
121.06524	6.5
121.10147	55.6
122.10464	5.8
123.08086	8.9
123.11732	18.8
125.05965	4.9
125.09628	7.2
127.07552	3.3
129.07001	4.0
131.08554	12.4
133.06483	3.4
133.10136	50.5
134.10463	3.9
135.08081	7.9
135.11696	48.5
136.11967	3.1
137.09615	9.9
137.13353	4.6
139.07541	6.1
139.11212	5.9
143.08562	7.1
145.10130	23.9
147.08067	9.3
147.11693	39.9
149.09634	7.4
149.13271	10.3
153.09090	4.4
155.01016	17.7
157.10152	12.5
159.11726	14.5
161.09633	8.9
161.13234	14.4
163.11203	8.1
163.14815	5.7
165.09146	5.3
166.65263	2.6
167.10730	8.0
169.10225	3.3
171.11682	11.3
173.13298	13.6
175.11209	8.1
175.14799	13.0
177.09077	2.8
177.12669	3.3
177.16422	5.4
181.10146	2.8
181.12222	7.0
185.13235	9.1
187.11159	5.4
187.14816	12.1
189.12721	3.3
189.16399	100.0
190.16968	8.6
191.14368	7.6
197.13290	5.4
199.14868	5.2
201.12779	3.0
201.16426	7.0
203.17970	27.2
209.13353	3.3
210.13985	3.4
213.16406	20.2
215.17792	6.7
219.13860	3.9
226.01405	3.1
229.15854	2.8
231.17393	18.9
232.18027	3.9
233.15437	7.0
237.14754	3.9
241.19678	4.6
247.17082	4.5
249.18507	26.5
253.15926	3.3
283.20547	3.8
319.22424	3.0
338.27664	9.5
342.83447	2.9
355.26736	2.7
425.30545	3.5
439.32007	8.8
443.31738	18.9
449.30371	5.4
457.33292	31.9
458.33405	4.0
467.31995	19.2
485.32809	60.0
486.32889	5.1
498.51364	3.3
499.33859	4.8
503.33469	8.1
526.02496	3.6
527.33801	4.9
545.34790	60.7
546.35065	7.6
581.32104	26.5
581.40411	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	580.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12161	21.9
64.54358	21.3
67.05504	26.8
69.07061	29.7
69.22942	93.7
69.23367	100.0
69.47224	20.7
73.64820	30.3
74.09631	21.1
75.32479	23.1
81.07063	43.3
93.07021	49.3
95.08602	45.7
95.17806	23.2
105.07067	28.0
119.08630	29.2
121.10122	24.3
136.06297	27.0
145.10155	30.9
157.10121	28.6
311.54642	25.1
419.07928	23.5
508.01947	23.4
580.39215	40.7
581.40216	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1503
Annotation	NSC641260
Peak:m/z	Relative Intensity
55.01861	0.3
56.93267	0.1
57.03419	0.4
61.02922	0.3
62.75124	0.1
67.01843	0.2
67.05472	0.1
68.99794	0.3
69.03426	0.6
71.04985	0.2
71.30962	0.2
73.02918	1.6
76.17676	0.1
79.05482	0.3
81.03429	0.2
81.07070	0.2
83.04962	0.2
85.02908	0.6
91.05498	0.3
93.07027	0.3
95.04945	0.2
95.08582	0.2
97.02905	0.3
97.06506	0.1
99.04455	0.1
103.05436	0.1
105.07028	0.5
105.34116	0.1
106.27991	0.1
107.04955	0.2
107.08589	0.2
109.02876	0.2
111.00802	0.2
115.03918	0.2
117.03349	0.1
119.08626	0.2
121.06515	0.2
125.62859	0.1
127.03877	0.2
129.01801	0.1
131.04947	0.1
133.06516	0.2
133.10118	0.1
135.04413	1.2
137.02350	0.4
145.04855	0.1
145.10071	0.1
147.11642	0.3
153.01822	4.0
161.02312	0.4
161.04538	0.2
161.05980	0.3
163.07610	0.1
165.51012	0.1
167.07077	0.6
168.07434	0.2
169.12196	0.1
171.02892	0.6
171.04196	0.1
173.05978	0.1
175.07652	0.1
175.11180	0.2
177.05507	0.2
179.03355	0.2
181.04974	0.3
191.07094	0.1
193.08589	0.2
209.07996	0.2
211.13342	0.2
213.05685	0.1
226.68512	0.1
241.04919	0.4
259.06268	0.2
269.04657	0.2
271.05972	0.2
272.06351	0.3
285.82324	0.1
286.04697	0.1
287.05484	100.0
288.05829	4.8
411.21927	0.1
419.09564	0.7
449.10791	11.3
450.11243	0.6
581.24292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30234	0.8
52.56765	0.8
54.20680	0.9
56.96563	3.3
57.25263	0.7
69.58451	4.8
95.08605	1.2
105.04500	0.9
109.10178	0.9
116.82333	0.9
121.10069	1.1
237.02797	1.4
253.07449	1.9
271.08585	1.3
297.06454	2.3
333.11188	2.2
353.84222	1.0
495.15854	7.2
513.15674	1.3
537.17340	54.9
538.17731	3.3
581.16321	100.0
582.16724	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	581.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	2.0
59.59344	1.0
67.05498	1.9
70.63955	3.0
74.43800	1.0
81.07053	3.5
81.73633	1.0
88.22690	0.9
91.05473	1.8
93.07045	1.7
95.04974	1.0
95.08604	1.6
100.02517	1.1
105.07024	2.5
107.08612	1.8
109.10181	2.7
119.08646	1.4
121.10175	2.4
121.40795	1.0
131.08516	1.2
133.10164	1.5
147.11784	1.0
159.11716	1.3
163.11145	1.0
215.02318	1.5
219.01819	1.1
271.08664	1.2
279.05695	1.6
287.05597	1.5
297.06479	3.9
389.17773	1.3
495.15500	9.6
496.16745	1.8
501.49118	1.1
537.17358	58.5
537.50305	1.2
538.18042	5.5
581.16327	100.0
581.24512	3.6
582.16479	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	581.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.7
58.99273	1.5
62.17863	1.4
67.05512	2.1
67.65329	1.5
69.03407	2.1
71.22605	2.4
79.05519	1.8
81.07063	2.5
85.95276	1.4
91.05503	2.5
92.24143	1.4
93.07013	2.0
95.08613	2.3
105.07036	3.5
107.08613	4.2
109.10191	1.4
119.08572	2.4
121.10209	1.7
131.41870	1.4
133.10147	2.0
154.91214	1.5
189.09242	1.4
223.14877	3.3
253.07495	3.0
297.06427	4.9
490.66913	1.9
495.15497	11.8
537.17389	53.4
537.25641	3.3
538.17566	4.3
581.16278	100.0
581.23761	3.8
582.16602	11.9
583.09949	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01878	11.9
57.74096	1.3
59.89383	1.5
62.09727	1.4
65.03941	22.5
67.05525	3.6
69.31444	9.7
78.04698	1.6
79.05492	4.7
82.04202	3.8
85.02928	2.3
91.05455	3.8
93.03400	7.6
95.01322	4.2
95.05003	4.3
97.06539	2.0
103.05470	2.6
105.07048	4.1
107.04946	8.2
108.02095	4.3
109.06566	1.9
110.03667	20.0
111.04446	25.9
115.05470	2.6
121.02876	15.7
121.03772	2.0
121.03912	1.7
121.06487	2.6
123.04440	4.0
125.05989	17.5
130.04219	1.7
131.04939	5.2
133.02898	2.2
133.06480	3.4
135.04428	5.6
137.06001	6.4
138.03134	3.6
144.05748	1.6
145.06528	3.2
147.04398	2.5
149.05949	4.5
151.03923	60.5
151.05023	6.2
153.05475	90.3
154.05827	2.3
160.05273	1.9
161.06020	7.9
163.03912	2.0
165.05443	4.5
165.06895	3.2
167.07056	13.4
173.05994	5.5
174.06616	2.2
175.07530	3.5
177.05441	4.3
178.06253	5.1
178.07802	4.3
179.08575	4.8
181.04962	4.3
181.06554	4.8
185.06088	2.2
189.07028	3.2
190.07851	2.0
191.06944	3.1
191.08499	3.2
193.06665	1.8
193.08629	5.0
194.07291	4.5
195.06453	2.6
195.08070	2.6
196.07407	1.9
201.05522	1.8
202.06253	3.2
203.07045	5.1
205.04935	3.6
205.06619	3.1
206.07256	4.8
207.08124	9.5
208.08636	2.2
209.06018	2.8
211.07581	3.2
215.07030	2.7
217.06709	1.8
218.07292	3.8
219.08089	3.1
220.05298	1.7
221.05977	4.5
221.09718	2.0
222.06741	4.1
223.07550	5.3
224.08304	7.5
233.06026	2.9
234.06770	7.1
235.07602	9.4
236.08353	4.4
237.05545	2.7
237.09192	5.3
239.07126	2.8
241.64655	1.6
245.06029	1.7
245.08136	11.4
247.07564	3.8
248.08231	2.3
249.05400	3.0
249.09163	8.4
250.06226	4.5
251.06932	5.4
252.07819	26.1
253.08455	4.8
259.07761	1.9
262.06253	2.1
263.07043	5.7
264.07797	4.4
265.08704	8.0
266.09412	3.9
267.06659	2.2
267.10165	9.9
268.07306	1.8
269.08270	1.7
275.07037	3.6
276.07858	1.9
277.08698	5.2
279.06546	4.0
279.10098	2.5
280.07388	8.7
280.10144	2.1
281.08047	4.8
291.06561	2.4
292.07175	4.5
293.08209	7.2
295.09647	21.0
296.10449	4.0
297.07626	2.1
305.08020	4.4
307.09589	4.7
309.07599	4.3
312.09985	2.7
319.09634	2.5
323.09149	94.6
324.09747	6.1
325.10632	6.2
327.12323	2.9
335.09225	4.4
336.09872	2.7
337.10623	6.6
339.12531	3.4
341.10217	2.0
349.10657	1.7
353.10086	8.7
355.11774	100.0
356.12070	6.3
367.11777	11.3
367.98129	1.5
368.12448	3.1
385.12766	4.4
460.55182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26066	0.4
53.03949	0.8
53.81293	0.3
54.80098	0.4
55.00596	0.4
55.01873	2.4
57.03441	3.7
59.31730	0.3
61.02925	2.7
65.03933	0.4
69.03429	7.0
69.46177	2.0
71.01360	1.1
71.05001	0.9
73.02917	7.9
81.03425	2.0
81.07056	0.4
81.59363	0.3
83.01344	1.4
85.02907	22.9
87.04459	1.2
91.03970	1.2
91.05482	10.4
91.05916	0.3
92.05839	0.7
94.04186	0.6
97.02897	13.8
99.04462	1.2
101.02383	0.8
103.03917	0.6
105.07002	0.5
106.54984	0.4
107.04941	0.6
109.02898	1.9
111.00806	0.7
115.03936	7.5
119.03436	0.5
119.04958	1.0
119.08610	0.3
122.03655	2.0
123.04404	0.7
127.03924	5.9
129.06952	0.4
133.04976	5.0
133.06520	1.1
137.05977	100.0
138.06316	3.0
143.03345	0.7
145.04961	9.9
145.06142	0.6
147.04411	1.5
151.07545	1.5
157.06462	0.5
161.04533	0.7
161.05927	0.5
163.06032	7.0
164.04652	0.5
171.02942	0.9
175.06122	0.4
179.07036	63.3
180.07353	2.4
187.14842	0.5
189.04080	0.7
192.25883	0.4
197.08003	0.6
205.08662	0.4
223.05980	1.4
231.04977	3.0
241.04932	0.4
241.06996	1.7
245.04503	0.4
253.10796	0.6
259.08133	1.8
277.09274	0.5
295.10324	2.4
325.11450	0.8
367.10226	21.1
368.10367	1.1
385.11288	13.4
385.15353	0.3
386.11517	0.8
607.21832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.4
55.01868	6.5
57.03442	17.4
60.04524	1.3
61.02929	11.0
61.07125	1.2
65.03925	1.6
69.03431	33.9
70.03743	1.3
70.06593	2.0
71.01363	3.3
71.05002	2.3
73.02921	36.6
81.03410	7.6
85.02908	100.0
87.04466	6.6
89.90564	1.5
91.03967	4.5
91.05485	45.7
94.87594	1.4
97.02893	66.7
99.04456	4.9
103.03984	3.1
105.07046	3.9
109.02894	5.6
115.03939	22.4
123.82743	1.4
127.03916	30.4
129.07034	1.8
133.04971	38.4
133.06468	2.4
134.05261	1.8
137.05975	8.6
141.39468	1.5
145.04965	52.1
163.06027	27.1
179.07097	4.3
217.07037	2.0
223.05881	7.3
241.07152	7.1
259.08072	13.2
260.08478	2.0
277.09280	2.7
295.10242	11.1
313.82669	1.3
325.11218	3.4
367.10025	2.4
435.75763	1.5
574.81885	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
53.03952	3.0
55.01869	1.9
55.05512	15.8
59.22711	0.6
61.02931	0.8
65.03943	1.1
67.05503	2.4
69.03434	3.6
71.05003	1.2
71.30156	0.7
73.02914	0.7
79.05495	5.9
81.03419	3.9
83.04984	100.0
84.05327	1.6
85.02911	7.1
87.00842	2.7
91.04964	1.0
91.05488	12.4
93.07043	1.4
95.04958	3.3
97.02891	2.5
97.06524	4.3
99.04483	0.8
103.05479	1.6
105.01878	1.7
105.07039	2.5
107.04953	0.8
109.02885	4.7
115.03932	0.5
115.05466	9.1
116.06276	1.3
117.01915	0.8
117.07017	11.2
119.08565	0.7
121.06512	1.5
127.03896	5.0
128.06230	11.2
129.01843	0.6
129.07007	13.7
129.07887	1.0
131.08556	1.9
133.06451	0.6
141.06984	11.0
142.07777	7.0
143.08615	5.0
145.05022	1.2
145.06490	2.2
147.08093	0.8
149.09633	0.7
152.06134	0.6
153.06985	4.7
154.07759	1.8
155.06017	1.3
155.08556	6.7
156.09355	5.2
157.06523	1.3
157.10124	7.3
158.07312	2.3
159.02953	1.3
165.07018	8.8
166.07790	6.6
169.06505	1.6
169.10179	0.8
171.08083	3.8
171.11687	1.0
181.10103	2.8
183.08101	1.3
184.08862	1.6
199.11183	5.5
217.12335	0.8
231.04997	1.0
299.16443	2.0
331.10223	1.1
372.15244	0.5
469.25797	0.6
604.37183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01867	1.5
55.05506	1.7
57.03437	1.2
57.07068	1.8
60.04517	1.9
61.02940	0.8
67.05505	4.8
68.99826	0.9
69.03427	9.4
69.07063	3.3
71.05002	1.4
71.30594	1.2
73.02920	2.2
79.05492	9.4
81.03425	5.6
81.07058	100.0
82.07406	2.8
85.02902	21.2
87.00832	11.0
91.05495	2.1
93.07056	3.0
95.04976	0.8
95.08608	16.6
97.02897	10.1
97.06524	0.5
99.04473	3.3
103.05412	0.7
105.01865	22.8
105.07024	1.8
107.04939	0.7
107.08606	1.5
109.02879	6.0
109.10154	2.1
117.07014	0.6
119.08580	1.4
121.10177	1.5
123.08053	0.8
123.11705	0.9
127.03920	19.4
129.01843	0.9
131.08617	0.6
133.10106	1.1
135.08144	0.6
137.05980	1.4
137.13260	26.0
138.13594	1.0
142.90775	0.6
143.08502	0.7
145.04958	8.2
147.11708	1.0
149.09570	0.7
150.95941	0.6
157.10132	0.6
159.02910	3.6
159.11755	0.7
167.07135	1.3
189.04051	1.2
192.86604	0.6
213.03865	1.0
231.04990	6.8
249.06114	5.4
341.16095	0.7
349.02286	0.7
504.20770	0.6
582.24963	1.2
582.32776	2.0
583.27765	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	3.6
71.30509	3.3
88.07288	2.4
98.97582	22.6
116.98640	10.3
130.93250	2.5
134.99702	5.2
140.23022	2.2
174.97639	5.0
188.89488	2.4
192.98833	4.0
197.06917	2.1
214.95625	4.5
230.93440	3.0
232.96686	15.1
240.98927	3.0
248.94537	5.6
250.97763	8.2
256.96622	29.6
257.96866	4.7
258.96695	4.6
259.00021	10.0
260.99899	2.7
274.97675	82.7
275.97968	8.6
276.97675	5.9
277.01080	7.6
278.01080	2.7
280.96799	3.6
283.00003	17.9
284.00262	4.0
290.95551	8.1
292.98611	18.3
298.97754	62.5
299.97946	8.9
300.97574	9.6
301.01071	25.4
302.01028	4.7
314.95630	6.5
315.95895	3.1
316.95410	5.2
316.98810	100.0
317.98972	13.7
318.98709	10.1
332.96655	11.0
334.96271	6.8
335.00003	3.8
374.98007	6.9
392.95502	2.7
398.97864	6.7
401.01563	2.8
402.21976	2.5
416.99161	19.8
417.98724	3.5
422.98138	2.7
425.01334	3.0
432.96671	5.1
440.98932	29.5
441.99060	5.4
443.02240	8.4
444.02673	2.4
451.76807	2.8
456.96246	8.1
457.96509	4.0
459.00912	30.7
460.00095	9.4
460.99545	5.6
476.97397	5.4
499.98517	3.0
516.94934	2.8
540.98773	4.4
543.43634	2.6
558.96906	3.2
559.96112	3.2
564.99078	58.2
565.99011	14.7
578.76074	2.6
583.00159	42.2
583.99628	9.2
600.97668	25.9
601.97717	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	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94225	1.3
53.03954	2.7
55.01865	2.7
61.15737	1.6
65.03940	24.7
67.05495	5.2
69.03408	1.8
69.82765	5.1
70.06598	1.6
77.03952	1.6
79.05505	4.0
80.79412	1.5
81.03424	2.3
81.07061	3.6
82.04191	3.5
83.84994	1.4
85.02914	2.8
91.05470	3.6
93.03412	12.5
93.07042	2.2
95.01332	5.8
95.04961	4.3
97.02890	4.4
103.05503	3.1
105.07032	4.0
107.04935	7.1
108.02058	3.3
109.65961	1.5
110.03667	22.8
111.04448	27.7
115.05451	4.0
117.07005	2.4
119.04889	1.9
119.08585	3.9
121.02876	16.3
121.06571	1.6
121.10161	1.4
122.03658	1.7
123.04446	2.9
125.06000	29.8
125.09592	1.5
127.03925	2.0
131.04930	3.3
132.05661	1.5
132.86095	1.4
133.02847	2.6
133.06516	4.8
135.04424	4.3
137.05980	13.7
138.03142	3.7
144.05675	1.9
145.06451	3.4
147.04425	4.0
147.08046	1.6
147.11639	1.5
149.05988	3.5
151.03914	39.1
151.04961	2.3
151.07539	4.6
152.06200	1.5
153.05470	100.0
154.05789	2.5
159.08041	5.1
161.05992	11.6
161.13316	1.6
163.03871	2.0
165.05490	2.2
165.06923	2.3
167.07040	15.3
173.06027	2.2
175.07529	6.9
177.05516	1.8
178.06232	2.4
178.07779	2.0
179.07021	2.1
179.08533	2.6
181.04961	9.7
181.06479	2.5
181.08472	1.7
187.07536	5.8
189.05460	2.1
191.06998	3.2
191.08488	3.2
193.08661	3.2
195.06480	3.7
195.08063	2.7
199.07526	2.7
205.06514	3.7
205.08429	2.7
206.07314	1.9
207.06389	1.6
207.08105	3.0
209.09613	2.2
210.06761	2.7
211.07582	3.9
216.07820	3.9
217.08563	3.0
219.08025	5.1
220.08868	2.5
223.07553	3.6
223.11230	1.5
224.08067	2.1
225.09059	3.8
226.06302	4.7
227.06912	1.6
229.08632	1.7
234.06621	2.5
235.07559	3.0
236.08273	4.9
237.09094	2.3
238.06332	2.7
239.06976	8.2
239.10788	2.1
241.08739	1.6
247.07434	1.8
247.09637	13.1
249.09077	2.4
250.06079	1.5
251.06989	2.2
251.10666	2.6
252.07748	1.9
253.08597	15.0
254.09276	3.7
261.08792	1.8
264.07764	4.2
265.08691	6.6
266.09531	2.0
267.10138	4.1
269.11676	4.8
276.07889	2.2
277.08795	2.3
279.10129	3.0
281.08170	3.4
282.08810	3.5
283.09793	2.7
291.09909	2.2
293.08038	2.9
294.08704	1.8
295.09637	4.0
297.11206	9.5
298.11618	2.1
307.09586	9.0
308.10226	1.9
309.11264	2.1
311.09021	2.2
319.09601	3.0
321.11169	1.8
323.12671	1.6
325.10687	55.7
326.11166	8.8
327.12137	3.0
329.13675	2.2
337.10779	2.8
339.12329	26.3
341.14001	2.1
346.25104	1.7
351.12433	6.9
355.11676	3.8
357.13321	56.2
358.13705	3.6
369.13300	6.5
370.14059	4.7
387.14459	3.0
391.26059	1.5
535.19482	1.9
583.27423	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
53.78546	1.3
55.01875	2.6
60.04506	1.8
65.03952	3.8
67.05482	1.8
71.31281	1.5
78.04675	1.8
79.05481	5.3
81.03427	10.4
81.07077	3.0
91.05480	9.4
94.04172	4.6
95.04977	3.5
97.75521	1.5
103.05463	6.3
105.07002	8.6
106.04206	2.1
107.04971	13.0
109.06500	1.9
115.05470	13.2
117.07033	9.9
117.07710	1.8
118.04193	2.1
119.04938	3.3
121.06566	2.7
122.03666	8.0
123.04443	8.1
124.05131	2.0
125.06096	2.0
128.06267	1.9
129.07010	3.0
130.04106	2.0
131.04927	5.7
133.02879	2.6
133.06517	8.7
134.80460	1.4
135.08023	2.3
137.05980	100.0
138.06294	2.9
139.27742	1.8
141.07001	1.8
143.04889	3.0
144.05719	5.0
145.06487	14.6
147.04424	2.7
147.08026	2.5
149.06044	2.1
151.03922	17.7
151.07585	3.8
153.05434	3.5
155.06076	3.1
156.05769	2.3
158.07370	1.8
159.08022	3.4
160.05179	3.0
161.05963	15.0
163.07555	2.0
165.05466	2.7
167.07043	83.9
168.07462	2.6
173.05951	15.3
174.06699	2.6
175.07539	5.3
177.05409	2.6
179.07054	4.7
181.04976	19.4
181.06451	3.2
181.08662	2.3
183.08023	2.2
187.07529	4.3
191.07040	4.3
193.08580	6.4
203.06990	4.3
205.08627	12.8
207.06575	8.5
207.08226	2.0
207.10147	3.5
209.08046	3.6
211.07562	2.3
217.08577	10.9
219.06401	3.0
219.10158	4.4
221.08029	2.3
225.05524	2.4
226.06163	3.0
227.07146	1.8
231.06517	2.0
233.08072	4.7
235.07567	3.3
235.09671	14.9
236.04636	2.1
239.07043	2.1
240.07936	2.4
241.08595	7.2
251.06915	2.9
257.08096	3.6
257.59402	1.8
264.07855	1.9
266.09363	1.9
269.08054	3.3
271.09595	1.8
275.07254	2.1
276.07639	2.2
281.07855	2.1
289.11014	2.0
291.10074	2.4
293.07880	2.9
295.09467	4.0
296.06635	2.2
297.07855	1.8
301.10757	5.1
305.08411	1.8
307.09534	2.2
309.07632	2.3
309.11298	1.8
313.10614	2.5
314.07791	3.8
318.08688	1.8
319.09375	2.5
321.11194	2.1
323.09113	3.2
325.10794	2.1
327.12170	2.5
329.10117	15.2
331.11487	4.6
335.09235	2.2
337.10568	6.2
339.12296	3.3
343.11697	2.9
349.10779	1.9
351.12311	4.3
353.13992	2.3
355.07605	1.7
355.11786	5.4
357.13254	2.2
365.10110	1.8
367.11627	2.5
369.13293	7.4
380.20007	2.0
381.13245	5.6
383.14789	2.9
385.12747	4.0
393.13306	2.4
397.12729	2.5
399.14529	3.4
411.14255	5.5
423.14340	1.9
429.15228	2.9
440.83957	1.8
441.15552	2.6
459.16547	24.7
460.16666	2.5
535.19537	2.9
547.19385	6.8
553.20532	7.5
556.98547	2.0
565.20599	15.6
566.21228	2.1
583.19958	20.3
583.28119	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	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01868	2.2
60.04518	2.0
65.03931	2.5
66.04711	1.4
66.56705	0.9
69.03423	2.1
69.07056	1.0
69.35920	2.1
69.36309	3.0
78.04713	2.8
79.05497	4.8
81.03416	9.1
85.02901	1.2
91.05482	8.2
93.07016	1.4
94.04169	4.5
95.04955	2.5
103.05471	6.1
105.07018	9.2
106.04175	2.7
107.04958	12.7
107.74343	1.2
109.06549	2.0
110.03700	1.0
110.29754	1.1
111.04435	1.6
115.05446	11.0
117.07018	10.2
118.04180	0.9
119.04948	3.3
119.08542	1.3
121.06532	2.0
122.03655	12.8
123.04455	6.8
124.05231	2.6
124.60282	1.0
125.05978	2.2
129.07010	3.7
130.02505	1.1
130.04140	1.9
131.04971	5.5
131.08548	1.7
132.05765	1.2
133.02826	3.4
133.06509	8.0
134.03644	1.5
137.05975	100.0
138.03120	1.2
138.06299	3.2
141.06989	2.0
143.04907	1.3
144.05688	4.2
145.06488	15.6
146.03665	1.6
147.04349	3.1
147.08046	3.3
149.05977	3.6
151.03926	15.9
151.05026	2.1
151.07507	5.3
152.04633	1.8
153.05469	3.3
153.06891	1.7
155.06039	3.8
156.05649	2.5
157.06473	1.6
159.04411	1.8
159.08049	2.6
160.05199	1.9
161.05980	13.9
163.07605	2.1
165.05527	1.6
165.06958	1.7
167.07042	88.1
168.07375	2.0
169.06494	2.5
172.05244	1.1
173.06012	11.5
175.07597	5.9
176.04756	1.1
177.05475	3.1
179.07034	5.1
181.04999	15.6
181.06483	2.0
181.08615	3.6
185.06039	1.4
187.07532	3.0
189.05505	2.2
190.06291	2.7
191.07027	6.4
193.08611	9.0
195.06493	2.7
195.08145	1.9
196.05177	1.5
197.06012	2.9
198.06686	1.2
199.07500	1.5
203.07013	4.0
205.06650	1.8
205.08595	14.1
206.07281	1.6
207.06482	9.5
207.08150	1.7
207.10246	4.1
208.05164	1.6
209.05992	1.5
209.07967	2.3
210.06757	1.2
211.07544	2.9
212.08279	1.4
217.08575	8.5
219.06500	1.9
219.10100	4.0
221.06018	1.2
221.08073	2.3
223.09583	1.6
225.05453	1.5
226.06258	2.1
227.07025	2.5
229.08562	1.4
231.08035	2.0
233.08022	6.1
234.06621	1.4
235.07486	1.8
235.09619	17.6
237.05249	1.4
239.07040	1.8
240.07852	1.6
241.08568	6.3
247.07384	3.1
248.08255	2.6
249.09033	1.3
251.07004	1.4
254.05855	1.7
255.06436	1.4
257.08044	4.4
259.07578	1.7
260.08322	1.3
261.09424	1.8
263.06912	2.5
264.07739	1.1
265.08414	1.5
265.10907	1.5
268.07278	2.4
269.08020	5.8
271.06067	3.4
271.09824	1.3
275.06992	1.6
276.07840	2.3
277.08636	1.6
279.06467	1.6
283.09552	1.7
286.08353	2.3
289.10770	2.3
290.09442	1.4
291.06570	1.7
291.10092	1.7
292.07422	2.0
293.08023	1.4
295.09586	2.5
296.06836	1.3
297.07474	2.7
299.05597	1.9
299.09006	1.4
301.10742	5.2
303.06601	1.5
305.07983	1.8
306.09076	2.4
307.09692	3.9
308.10397	1.4
309.07553	1.2
313.07214	1.5
313.10773	2.9
314.07935	3.5
315.12463	1.9
321.07617	1.9
321.11038	1.6
322.08304	1.3
323.09097	2.8
324.09857	1.3
325.10895	1.2
327.12201	2.2
329.10233	16.4
330.11072	2.1
331.11725	3.9
333.11105	2.2
335.09052	1.6
336.10074	1.8
337.10712	5.1
339.12259	2.9
343.11804	1.9
349.10666	2.6
349.87030	1.2
351.12347	3.7
353.10034	1.8
353.13974	1.8
355.11694	2.8
363.12241	2.3
365.14017	1.6
367.11584	3.8
369.13242	5.5
371.14886	1.3
373.12939	2.2
379.11716	2.5
381.13364	6.1
382.13916	1.1
383.14893	4.0
385.12817	3.0
393.13354	1.9
397.12991	2.2
399.14609	5.4
401.15799	1.9
411.14230	7.1
423.14160	1.7
429.15384	2.4
441.15308	4.2
459.16528	23.7
460.16718	1.6
517.19049	1.3
535.19269	2.8
547.19324	7.4
553.20447	7.7
565.20734	17.7
566.20612	2.2
583.20709	18.2
584.21442	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66326	2.2
53.65747	2.1
55.05506	10.5
57.03443	5.9
57.07074	10.9
59.05006	4.2
67.05501	22.3
69.03439	7.3
69.07075	7.9
69.14931	18.8
71.41140	2.5
77.97002	2.5
79.05498	15.6
81.07053	24.1
83.04974	4.7
85.06564	5.0
85.97984	2.5
91.05478	25.3
91.27975	2.2
93.07043	38.9
95.04980	8.3
95.08613	30.5
98.98482	3.3
105.07033	39.7
107.08595	20.4
107.71037	2.5
109.06529	6.4
109.10165	11.0
117.05488	6.6
117.07025	9.3
119.08572	39.4
121.06540	3.8
121.10130	27.9
123.08088	19.8
128.06221	4.5
129.07011	9.6
131.08578	16.1
133.10138	24.8
135.08052	8.9
135.11723	7.9
137.09662	9.4
141.06984	5.1
142.07790	9.1
143.08539	19.8
144.09392	4.2
145.10109	30.3
147.08087	22.3
147.11693	9.8
149.09628	3.5
151.07565	21.6
155.01093	2.8
155.08566	9.0
156.09337	9.1
157.10127	30.4
158.10840	2.7
159.11705	14.9
161.09636	3.8
161.13289	7.2
163.11198	10.6
165.09120	39.8
167.08611	3.9
168.09288	3.2
169.10150	13.3
170.10849	3.8
171.11685	18.0
173.09715	2.4
173.13297	8.5
175.14861	4.9
179.08600	5.7
180.09351	4.4
181.10182	5.9
182.10844	4.5
183.11661	13.3
185.13213	17.3
187.11234	3.5
187.14861	6.6
189.12770	6.6
193.10156	7.5
194.10876	4.2
195.11690	8.5
197.13257	16.2
199.14868	5.2
201.16336	3.0
203.14305	24.4
206.11047	2.9
207.11661	12.5
207.13837	10.8
208.12399	3.9
209.13283	16.8
210.13988	2.4
211.14853	8.1
219.11693	4.4
219.17458	17.9
220.12476	2.8
221.13264	10.5
221.15315	71.6
222.15836	4.9
223.14803	7.5
229.15947	2.9
231.17569	3.6
233.13269	4.2
233.15471	3.7
235.14919	6.8
236.15739	3.1
237.16435	3.0
239.17987	3.5
245.13184	3.8
246.14188	3.0
247.14745	5.1
251.18044	4.7
253.19412	3.0
257.18994	4.2
259.14847	3.2
260.09979	2.8
260.15530	3.7
261.16336	2.8
263.17929	3.8
265.19403	3.0
271.20685	5.2
273.16464	3.1
275.17743	5.0
277.19635	2.8
279.21341	2.6
283.20657	4.9
287.20209	3.3
295.20630	6.6
297.22098	7.5
319.24170	3.3
331.24118	2.8
365.19312	3.7
365.24429	6.1
375.26840	8.9
403.30029	15.7
437.31415	3.0
467.29803	14.8
503.35254	4.3
523.32056	11.7
547.39557	4.5
565.40460	33.8
566.41345	5.4
583.34229	84.2
583.41522	100.0
584.34521	10.1
584.42810	14.4
584.55615	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19809	1.5
53.03946	3.8
55.05517	7.5
57.07072	5.9
59.04991	3.3
61.93880	1.3
65.03939	2.0
67.05173	1.8
67.05508	16.9
69.03439	7.4
69.07061	5.2
75.46188	1.2
77.03926	1.6
79.05498	12.2
81.07054	21.8
83.04988	2.1
83.08646	3.0
85.06545	4.2
86.07803	1.6
89.06026	1.5
91.05476	23.1
93.07046	26.1
94.91588	1.4
95.04973	5.1
95.08612	20.7
96.05321	1.4
103.05465	4.1
105.07037	39.8
107.08592	20.6
108.08915	1.4
109.06544	6.6
109.10143	14.4
111.08112	5.3
115.05465	3.0
117.07038	9.9
119.08583	43.0
120.08881	2.1
121.06503	4.5
121.10144	23.4
123.08053	16.9
123.11701	3.6
128.06215	3.7
129.07002	6.8
130.07794	3.1
131.08588	16.7
133.06470	3.3
133.10130	22.6
135.08078	8.2
135.11699	13.8
137.09613	15.4
139.07576	1.5
141.07051	3.2
142.07771	10.8
143.08571	16.1
144.09349	2.9
145.10121	30.0
147.08058	24.0
147.11700	8.5
149.09616	4.9
151.07570	10.1
151.11221	2.3
155.08562	5.1
156.09335	8.7
157.10133	19.5
158.10828	1.9
159.08115	1.7
159.11702	13.4
161.09615	5.4
161.13257	6.0
163.11177	4.3
165.07059	2.1
165.09120	41.2
166.07941	1.7
167.08601	4.0
168.09299	2.0
169.10147	9.6
170.10928	4.1
171.11732	13.1
173.09575	2.5
173.13226	7.3
175.11168	2.1
175.14832	7.2
179.08527	3.1
180.09236	1.7
181.10130	4.5
181.12289	4.6
182.10872	1.9
183.11674	8.5
185.13277	6.3
187.11206	1.8
187.14838	7.4
189.12755	3.4
192.09297	1.6
193.10188	5.0
194.10898	2.3
195.11697	6.8
196.12428	2.1
197.13188	6.8
199.14902	3.7
201.16374	2.7
203.14316	19.0
206.10876	2.3
207.11722	4.8
207.13818	4.3
208.12354	1.6
209.13335	7.4
209.15001	1.9
210.13924	1.9
211.14839	3.9
213.16341	2.1
219.11685	2.1
221.13411	3.7
221.15361	100.0
222.15587	2.8
223.14752	3.4
225.12683	1.5
229.09937	1.4
235.14844	4.1
237.16463	1.4
239.18294	1.5
247.14804	2.3
251.18033	1.6
263.17853	2.0
287.20090	1.9
299.20129	2.1
311.19867	1.8
311.29599	1.5
352.23923	2.4
365.24698	2.4
411.28836	2.1
473.34039	3.9
491.35141	7.7
492.35614	2.0
503.35022	4.7
565.39960	5.0
583.41370	22.9
584.41724	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01853	0.7
55.05510	7.6
55.92533	1.0
55.92819	0.7
57.07076	7.5
59.05009	3.8
65.03928	3.7
67.05505	15.9
69.03072	1.1
69.03424	8.1
69.07071	9.5
69.14040	0.6
69.14357	6.1
69.30553	0.9
71.04981	1.3
77.03900	0.7
79.05067	1.0
79.05491	17.0
81.03393	0.8
81.07059	22.1
83.04960	3.2
83.08618	4.1
85.06522	3.2
89.06055	1.6
91.05485	25.1
93.07047	35.8
95.04969	6.6
95.08607	23.7
97.06518	2.9
97.10146	1.0
98.22559	0.9
102.30765	0.9
103.05461	2.1
105.04492	1.1
105.07033	43.2
106.07304	1.2
107.04933	1.5
107.08599	24.7
108.08875	0.9
109.06520	6.6
109.10157	16.0
111.08091	5.8
115.05437	2.0
116.06223	1.7
117.07032	10.1
119.08584	46.7
120.08838	1.3
121.06512	4.7
121.09294	1.4
121.10143	23.7
122.07298	2.0
122.10429	0.9
123.08069	15.5
123.11681	3.5
125.05952	1.4
125.09618	1.9
128.06207	4.7
129.07025	7.6
130.07809	4.0
131.08574	19.1
133.06485	1.9
133.10135	27.4
133.69481	0.8
135.08057	10.0
135.11690	14.0
137.09610	19.2
139.07571	0.8
139.11168	1.1
141.06969	3.6
142.07791	9.4
143.08580	14.8
144.09288	3.0
145.10127	31.0
147.08054	23.4
147.11691	11.9
149.09627	4.1
149.13246	2.8
151.07549	9.9
151.11163	2.7
153.06906	1.1
154.07712	1.5
155.08574	7.1
156.09366	6.6
157.08882	1.6
157.10124	22.1
158.10840	3.1
159.08028	2.7
159.11697	16.0
160.12276	0.7
161.09645	5.4
161.13258	8.0
163.11208	6.0
165.06915	2.0
165.09123	48.2
166.09299	1.1
167.08546	4.7
168.09299	2.4
169.10129	9.6
170.10881	3.9
171.11714	14.3
172.12317	1.1
173.09532	2.3
173.13258	8.8
175.11143	2.9
175.14799	8.2
177.12740	2.0
179.08617	3.7
179.10641	1.6
180.09288	2.0
181.10115	6.0
181.12138	4.1
182.10803	2.2
183.11697	11.4
184.12373	1.0
185.09625	1.1
185.13269	9.0
187.11156	2.2
187.14813	6.3
189.12732	3.2
191.14250	1.9
192.09201	1.4
193.10211	5.2
194.10913	4.0
195.11710	6.4
196.12453	2.4
197.11690	1.2
197.13271	8.0
198.13907	1.2
199.11162	2.3
199.14792	4.0
201.12828	1.6
201.16519	3.5
203.14305	17.6
205.10109	1.2
205.15877	2.0
206.10895	1.8
207.11646	4.0
207.13788	5.0
208.12447	2.6
209.13336	8.7
209.15230	1.8
210.13905	1.0
211.14803	4.9
213.12845	1.4
213.16373	3.4
215.14279	1.8
215.17978	1.1
217.10081	0.9
218.10760	1.0
219.11691	1.8
220.12459	1.2
221.13445	3.8
221.15363	100.0
222.13873	1.4
222.15773	3.7
223.14832	5.5
225.12743	1.2
225.16312	1.8
227.14262	1.5
231.11603	1.3
231.17438	2.4
232.12526	1.1
233.13162	2.2
233.15376	1.5
235.14844	4.5
237.12672	1.0
237.16383	3.1
239.18030	1.5
245.13123	1.7
247.14780	1.9
247.16969	1.8
249.16386	2.1
251.18022	1.7
253.16013	0.9
255.17355	1.1
259.14786	1.4
259.20605	1.1
261.16260	1.1
263.17932	1.8
265.19525	3.0
271.17117	0.9
275.17981	1.8
277.19446	1.1
279.17343	1.0
283.20593	0.9
285.18515	1.7
286.19357	1.0
287.20227	1.6
289.19269	0.9
291.20963	1.6
297.22052	1.7
299.20206	1.9
311.20047	1.0
325.21625	0.9
343.23868	0.9
352.23792	3.7
365.24780	2.2
377.24789	1.5
378.25720	1.7
411.28937	1.2
437.30719	1.9
473.34030	4.4
491.35059	8.3
503.35120	4.8
565.40527	7.0
575.83954	1.0
583.41711	34.3
584.42664	3.5
584.56287	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.1
55.01851	2.5
55.05510	17.9
57.07076	10.9
59.04996	3.8
65.03950	5.3
65.59518	2.3
67.05507	29.7
69.03438	7.5
69.07066	20.4
69.09709	2.2
71.05003	3.7
73.66226	2.6
75.58221	2.7
79.05499	31.2
81.07063	44.3
83.04986	11.6
83.08626	9.3
85.06537	5.7
91.05482	56.0
93.07044	66.4
95.04994	12.2
95.08614	42.9
96.08946	3.3
97.06554	9.6
103.05456	4.9
105.07037	88.6
106.07388	3.7
107.04974	3.8
107.08596	55.9
109.06521	13.7
109.10171	28.7
109.28519	3.1
115.05448	8.9
117.07025	22.0
119.08583	100.0
121.06516	5.9
121.10157	54.8
122.10472	2.5
123.08052	15.4
123.11710	7.7
125.06031	2.5
125.09630	6.4
125.45303	2.6
128.06244	15.0
129.07018	21.3
130.07802	11.3
131.08575	43.6
133.06575	2.9
133.10144	49.8
135.08084	11.4
135.11702	20.1
137.09644	9.9
139.11229	3.0
141.06975	8.6
142.07771	29.2
143.08574	57.8
144.09280	7.9
145.10129	66.8
147.08014	16.5
147.11713	19.8
149.09631	9.5
149.13268	5.6
150.07227	2.8
151.07541	15.6
153.07025	3.6
154.07768	6.4
155.08557	23.6
156.09331	22.4
157.10132	66.2
158.10855	10.4
159.11685	38.9
161.09657	8.2
161.13281	11.1
163.11212	8.5
165.07014	9.8
165.09119	32.2
166.07823	3.0
167.08585	14.8
167.10663	17.7
168.09352	9.6
169.10133	40.6
170.10918	9.5
171.11693	35.7
173.09648	4.4
173.13264	29.1
175.11206	5.4
175.14792	11.7
179.08565	18.7
180.09331	7.9
181.10156	21.5
181.12302	6.3
182.10941	8.1
183.11705	38.3
184.12468	8.4
185.09708	3.5
185.13257	21.0
187.14897	9.8
189.12807	7.3
191.14371	11.6
192.09413	7.2
193.10164	15.9
194.10907	14.8
195.11684	30.9
196.12469	6.4
197.13275	26.5
198.13852	3.4
199.14844	17.9
201.12941	4.0
201.16396	3.0
203.14363	16.8
205.10126	6.1
205.15881	3.0
206.10934	9.7
207.11748	21.6
207.13881	9.7
208.12463	10.4
209.13264	37.4
209.15211	3.6
210.13838	3.7
211.11078	3.0
211.14833	17.9
213.12755	3.8
213.16417	6.7
215.14323	4.1
217.10216	5.9
217.15823	14.4
218.10953	6.8
219.11642	7.0
220.12538	8.0
221.13278	21.4
221.15436	63.1
222.13834	4.1
222.15773	5.7
223.11436	3.1
223.14835	24.8
224.15479	5.7
225.16443	8.3
227.14365	3.4
231.11703	10.6
231.17540	3.8
232.12527	7.4
233.13261	15.4
233.15506	8.7
234.13893	5.6
235.14816	15.3
236.15572	3.0
237.16444	14.5
239.18034	8.6
243.11700	2.6
245.13216	10.7
246.14061	7.4
247.14853	11.8
247.17065	4.7
249.16447	11.6
250.17130	4.2
251.18048	8.1
255.17422	5.4
257.13269	4.3
257.19080	7.4
258.14120	4.3
259.14941	7.3
260.15637	4.6
261.16382	12.0
262.16983	3.8
263.17999	8.4
265.19592	7.4
269.18930	4.9
271.20609	2.8
272.15671	3.8
273.16431	7.8
274.17184	2.8
275.17926	17.9
276.18713	2.8
277.19525	6.7
279.21341	3.8
281.19025	3.7
283.20645	17.9
285.16238	5.3
287.17670	4.0
287.20407	3.5
289.19504	5.3
291.20972	4.3
295.20590	5.3
299.20364	4.2
300.20825	3.4
307.20706	3.1
331.24332	6.2
333.22302	3.5
335.23618	3.5
347.23764	3.2
349.25275	9.5
361.25491	3.6
375.26846	6.0
403.30057	3.9
491.35144	7.4
503.35117	3.3
505.79941	3.0
547.39832	3.6
565.40448	19.0
566.40045	4.0
583.31787	12.3
583.41473	95.8
584.33398	3.1
584.41925	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	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10842	1.8
50.34951	1.8
53.03943	5.9
55.01887	2.3
55.05508	19.5
57.07074	9.2
59.04983	3.3
65.03949	4.4
65.35429	2.4
67.05510	25.2
69.03426	6.6
69.07069	19.4
69.12578	15.0
69.12988	3.3
77.03884	2.6
79.05061	3.1
79.05499	36.2
81.07058	38.4
83.04976	8.0
83.08604	11.8
85.06541	7.8
91.05485	66.6
93.07047	63.9
95.04974	8.3
95.08614	39.6
97.06533	6.4
98.22565	4.1
103.05467	4.3
105.07037	89.0
107.08596	52.3
109.06530	11.9
109.10165	24.1
111.08092	4.8
111.11796	2.1
113.09652	2.9
115.05467	6.7
117.07021	15.9
119.08585	100.0
120.08865	4.1
121.06506	6.1
121.10149	46.5
123.08077	16.9
123.11716	7.9
125.06023	2.8
125.09627	3.4
128.06233	15.0
129.07007	21.6
130.07799	7.1
131.08577	43.2
133.10136	48.1
135.08064	13.4
135.11717	17.2
137.09619	13.4
141.06958	13.6
142.07771	27.4
143.08563	46.8
144.09337	7.0
145.10136	57.8
146.10486	2.4
147.08052	15.4
147.11700	18.4
149.09634	7.4
149.13287	3.0
151.07561	16.6
151.11185	2.7
153.07007	6.1
153.09099	2.6
154.07787	4.6
155.08545	24.1
156.09348	21.5
157.10144	63.1
158.10938	10.2
159.08075	5.0
159.11702	32.0
161.09613	7.2
161.13245	11.1
163.11182	9.9
165.06960	6.3
165.09117	34.6
166.07748	3.0
167.08630	13.3
167.10696	13.3
168.09355	7.9
169.10124	36.8
170.10936	10.3
171.11681	38.3
172.12247	2.6
173.09612	4.2
173.13275	26.3
175.14830	10.8
178.07790	2.3
179.08536	16.6
180.09296	5.6
181.10121	19.6
181.12244	8.1
182.10893	10.1
183.11722	31.6
184.12418	8.3
185.13278	19.9
187.11143	3.5
187.14844	7.4
189.12773	4.9
189.16441	4.1
190.16734	2.5
191.14314	10.3
192.09366	7.7
193.10115	20.8
194.10954	12.5
195.11722	23.0
196.12408	7.4
197.13229	21.9
199.11253	2.7
199.14865	16.7
201.12752	3.0
201.16447	3.4
203.14291	15.8
205.10097	6.0
205.16042	2.3
206.10898	8.0
207.11723	20.3
207.13647	4.1
208.12439	9.2
209.13278	32.5
209.15271	5.2
210.13875	2.7
211.14871	12.4
213.12773	4.2
213.16348	4.9
215.14363	3.7
217.10081	4.4
217.15834	10.5
218.10849	3.1
219.11670	9.7
220.12402	7.0
221.13278	19.2
221.15390	55.8
222.13925	5.7
222.15788	4.1
223.14844	17.1
224.15340	2.7
225.12828	3.4
225.16335	6.9
227.14328	3.4
230.10933	2.8
231.11710	7.2
231.17490	3.0
232.12549	3.9
233.13242	13.1
233.15419	7.6
234.13954	5.6
235.14818	14.4
236.15514	4.0
237.16429	8.3
239.17924	6.7
243.11679	3.2
245.13327	9.7
246.14017	5.9
247.14865	10.3
247.16988	3.8
249.16354	12.2
251.18024	8.4
253.15958	3.4
257.19016	7.3
258.14038	2.5
259.14749	6.6
260.15573	3.0
261.16318	12.5
263.17926	7.4
265.19525	10.1
269.18951	4.5
271.14658	6.0
273.16299	5.2
275.17999	14.3
277.19501	2.5
279.17807	3.0
279.21063	4.1
281.18979	2.7
283.20636	16.3
285.16266	3.5
287.20166	5.8
289.19531	3.7
291.21158	3.6
295.20618	3.5
297.22070	2.6
301.19287	2.8
331.24295	3.1
333.22397	2.4
349.25232	7.4
375.26923	5.8
491.34946	10.1
509.34137	2.9
565.40204	13.0
583.31537	12.1
583.41455	68.5
584.41461	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	583.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.9
54.88991	1.9
55.01881	1.7
55.05516	24.1
57.03440	7.5
57.07080	5.7
67.05508	52.7
69.07076	20.4
71.08647	2.1
79.05498	53.3
81.07063	52.7
83.04990	3.4
83.08609	11.8
85.06551	4.9
85.16418	1.6
89.06046	4.8
91.05484	47.6
93.07051	60.1
94.07386	1.6
95.04994	8.4
95.08613	46.0
95.23759	1.9
97.06533	5.0
97.10202	5.3
99.08128	3.1
105.04511	2.0
105.07036	53.5
107.04978	1.6
107.08598	34.7
109.06546	3.1
109.10158	22.1
109.10807	1.9
111.08105	3.1
115.05517	3.7
117.07011	16.8
119.08582	51.8
121.10150	33.9
123.08094	3.6
123.11720	5.9
126.38483	2.0
128.06311	5.7
129.07002	16.3
129.07774	1.6
130.07751	3.2
131.08575	33.4
131.09479	2.5
133.08609	3.4
133.10136	38.9
135.08076	4.2
135.11714	21.5
137.09637	4.4
137.13271	2.7
141.07004	5.0
142.07802	5.2
143.08578	23.6
144.09380	2.4
144.52908	1.8
145.10123	37.9
146.10460	2.5
147.08093	3.2
147.11705	23.2
149.09622	3.2
149.13269	8.5
151.07605	2.9
151.11243	2.7
155.08566	9.8
156.09378	3.7
157.10158	26.0
158.10788	2.6
159.11696	27.7
161.13284	14.7
163.11220	3.2
163.14870	3.4
165.09192	3.2
167.08664	2.8
169.10150	10.8
171.11676	22.1
173.09795	1.8
173.13271	19.2
175.11180	2.0
175.14848	11.3
179.08681	2.5
181.10202	6.0
181.12296	3.0
182.10977	3.3
183.11714	13.6
185.13251	16.9
187.11215	2.9
187.14848	13.2
189.12857	2.1
189.16437	3.1
191.14383	3.3
193.10175	3.7
195.11740	9.8
196.12529	1.9
197.13338	8.4
199.14847	10.5
201.16502	5.4
203.14351	3.1
203.18071	2.1
207.11780	4.4
209.13354	7.4
211.14763	8.1
213.16393	8.5
215.18039	5.3
217.19682	1.8
219.11719	2.7
221.13322	4.6
221.15442	8.7
223.14929	4.7
225.16481	5.5
227.18100	3.4
229.19635	2.3
231.17633	3.0
231.21201	1.9
233.19150	2.4
237.16344	3.3
239.17986	3.3
241.19638	7.2
245.13181	1.9
247.14993	2.1
253.19469	2.1
255.17418	2.9
257.19086	3.4
259.20599	14.6
263.18082	2.8
269.19147	2.4
307.22702	18.3
308.23111	2.9
311.23776	2.3
333.24283	11.2
335.25906	2.9
353.28546	2.3
367.30182	2.4
379.30176	2.1
395.29480	2.3
453.19159	3.1
473.37927	2.0
491.38855	6.9
513.25220	2.9
541.24628	12.0
541.32501	2.2
555.26697	3.6
565.42169	11.9
583.35406	3.6
583.43408	100.0
584.43756	12.3
584.56519	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	583.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80724	2.3
53.03951	6.6
55.01881	5.2
55.05517	28.3
57.03439	9.1
57.07082	8.5
64.50402	2.3
65.03941	3.4
67.05134	3.5
67.05505	62.6
67.64534	2.5
68.05868	2.3
69.03465	3.5
69.07076	28.4
71.05008	4.8
71.32564	4.4
79.05496	43.1
81.07060	62.4
83.04984	5.5
83.08624	13.3
85.06571	5.9
89.06071	3.7
89.37749	3.0
91.05485	55.1
93.07046	55.2
95.04990	9.4
95.08614	51.6
96.92229	3.5
97.06557	5.8
97.10202	6.8
103.05526	2.7
105.07030	48.8
107.05005	2.7
107.08590	37.0
107.09268	2.6
109.06534	3.8
109.10162	24.6
116.06284	2.5
117.07010	21.6
119.08582	48.6
121.10160	30.8
123.08092	5.3
123.11770	6.8
123.40093	2.2
125.09703	3.6
128.06258	6.5
129.07025	16.8
130.07848	3.5
131.08565	38.9
133.10135	41.4
133.11037	3.2
135.11717	16.1
139.11195	3.6
141.07053	7.4
142.07831	7.7
143.08585	29.0
144.09377	3.7
145.10129	43.6
147.08090	5.8
147.11694	24.1
149.09654	3.9
149.13348	7.7
151.07545	2.7
151.11305	2.3
154.07796	2.3
155.08548	13.4
156.09412	6.4
157.10129	29.9
159.08109	2.9
159.11700	30.8
159.12790	3.0
161.09688	4.0
161.13339	8.0
163.11215	4.4
163.14867	4.3
165.09200	6.7
167.08636	4.3
168.09447	2.5
169.10149	17.9
170.10934	4.3
171.11676	24.2
173.13258	18.6
175.11247	2.9
175.14871	6.4
179.08621	5.5
181.10176	9.4
183.11716	12.5
185.13255	18.5
187.11188	3.3
187.14888	9.6
189.16460	7.1
193.10136	3.4
194.11020	3.2
195.11778	9.2
197.13254	16.6
199.14787	11.1
201.16455	6.7
203.14349	4.4
203.17996	3.9
207.11739	6.3
209.13359	8.7
211.14896	10.8
213.12964	2.4
213.16457	13.0
215.18008	5.2
221.13315	3.1
221.15327	5.5
223.14793	5.8
225.16531	4.7
227.18106	5.4
229.16048	3.3
231.17476	13.9
233.13249	2.8
235.15004	3.2
237.16437	2.6
239.18060	6.1
241.19565	3.0
246.45879	2.3
251.18051	3.9
269.19043	3.5
283.20624	2.9
335.26120	4.2
491.39203	7.1
509.40121	4.3
565.42108	7.9
583.43579	100.0
584.43872	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	584.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.11556	0.7
55.01863	3.3
57.03435	1.4
57.14233	0.6
57.69054	0.6
61.02921	1.9
65.03938	1.0
67.05495	1.4
69.03439	4.2
70.06599	3.5
70.58252	1.2
71.04991	1.4
77.03941	0.9
78.04712	2.0
79.05498	8.6
81.03413	1.8
81.07046	1.9
83.04968	0.7
83.91607	0.7
85.02422	1.2
85.02907	13.3
86.09713	3.4
89.03903	1.5
90.04691	1.1
91.05487	9.0
93.07044	0.8
95.04967	4.0
97.02905	4.3
97.06516	0.9
98.52398	0.7
99.04472	1.0
103.05469	15.1
105.03387	2.7
105.04517	1.3
105.07030	18.6
106.04182	20.7
107.04970	10.9
109.02872	2.2
109.06525	2.1
111.08076	1.4
115.05434	4.6
117.03411	3.9
118.04192	4.0
119.04938	3.1
121.06501	14.1
123.04442	1.3
123.08102	0.9
124.05234	0.8
125.06007	1.8
127.03896	2.4
131.04938	16.4
132.05693	5.9
133.06497	24.6
134.03645	1.4
135.04411	9.1
137.05962	4.3
137.09625	2.2
139.07582	3.4
143.05994	1.1
145.04947	3.5
147.04393	3.1
148.05240	1.6
149.05984	38.4
151.07542	2.5
152.04684	1.0
153.05460	1.4
159.08014	1.5
160.05167	3.8
161.05989	38.6
161.09637	1.3
162.06557	1.2
163.03946	6.7
163.07576	3.6
165.05499	3.4
167.07030	14.7
167.32593	0.8
171.04416	1.1
175.07545	1.0
177.05473	100.0
178.05917	2.4
179.07047	9.4
180.08841	1.3
181.08601	0.9
182.09340	0.8
187.07603	0.8
188.04683	1.8
191.07022	9.7
192.07806	15.3
193.04967	6.8
193.08597	34.7
195.06540	10.7
197.08101	1.1
202.02139	0.7
203.07004	1.5
207.06514	12.7
207.08313	1.2
208.07129	0.9
209.08096	4.3
210.08824	0.9
215.07047	7.5
221.08044	1.0
225.07587	9.0
233.08038	5.0
251.09219	1.1
337.10583	5.3
338.11017	0.8
349.79260	0.8
357.13309	2.2
369.13370	11.2
375.98502	0.9
387.14377	6.1
405.15485	2.3
584.23224	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01852	7.9
55.05509	7.7
55.16532	1.6
57.03439	1.8
61.02929	3.4
65.03944	3.0
67.05511	11.1
69.03432	8.1
69.07070	28.6
70.90889	2.8
71.01373	2.1
71.04992	6.7
73.02921	5.1
79.05483	12.5
81.03410	3.6
81.07061	30.6
83.01307	1.7
83.04988	10.1
83.08621	2.0
85.02910	8.4
85.06532	5.5
91.05474	12.1
91.44790	1.4
93.07041	32.4
93.07623	2.1
95.04968	64.4
95.08601	9.2
97.02911	2.3
97.06526	13.3
99.04459	6.7
100.11279	1.7
101.02384	8.4
103.05432	2.4
105.07027	33.6
107.04966	4.7
107.08616	11.9
109.06520	18.8
109.10196	2.1
111.04446	1.9
111.08042	3.7
111.11710	5.0
113.06028	3.5
117.07025	5.0
119.03449	5.8
119.04928	2.2
119.08581	9.7
121.06512	9.8
121.10140	37.0
122.10506	1.8
123.08084	5.1
124.53799	1.8
125.05991	7.6
127.07537	4.8
127.33385	1.7
129.06969	2.4
131.04976	3.3
131.08556	15.6
131.13501	1.6
133.04951	1.9
133.06529	4.6
133.10138	5.6
135.04395	1.7
135.08083	3.6
135.11685	10.0
137.05975	13.4
139.07530	5.9
139.11171	15.6
141.01842	2.3
143.03444	2.5
143.07013	5.9
143.08583	3.4
145.06522	2.7
145.10133	42.0
146.10413	1.8
147.02850	5.2
147.08015	3.0
147.11745	4.1
149.06006	2.2
149.09639	11.1
151.07542	21.3
154.04967	15.8
155.07019	6.0
158.07254	2.0
159.08060	2.9
159.11685	13.9
161.04443	31.9
161.09589	4.6
163.07597	2.7
163.11185	30.0
165.09160	4.3
167.10571	2.1
169.10097	2.1
171.02895	3.2
173.09615	14.5
181.12245	7.0
187.11198	24.1
188.11487	2.2
189.03960	2.0
189.09128	2.3
189.12756	2.0
191.10672	37.5
197.09697	2.0
205.12250	14.4
209.11740	22.5
215.10695	13.4
227.12865	3.3
233.11752	17.4
243.08595	8.3
251.12796	11.4
251.64734	1.9
257.68903	1.7
263.09177	2.2
269.13870	7.6
280.08487	2.2
281.13721	3.1
299.11679	2.6
299.14883	19.0
305.13760	2.5
309.13275	8.7
323.14896	6.9
327.14325	4.1
333.13327	4.7
351.14362	43.2
352.14850	2.9
355.97302	1.6
369.15414	100.0
370.15802	6.0
387.16486	39.9
584.40796	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	584.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08358	4.6
53.03947	15.0
53.46144	3.9
55.01880	5.7
55.05510	11.2
57.03433	4.4
58.03495	4.2
61.02946	5.8
67.05503	6.6
69.03436	19.8
69.07067	7.3
69.63459	20.8
70.06600	18.4
71.04980	7.5
73.02929	6.9
79.05504	15.8
80.50314	3.9
81.03419	44.1
81.07053	25.0
83.04989	14.0
83.08630	4.2
84.08150	7.9
85.02901	52.4
86.09733	5.5
87.04458	5.8
91.05476	29.7
93.07053	28.5
95.04972	68.1
95.08624	24.5
97.02876	20.5
99.04470	5.0
105.07034	42.1
107.08620	29.8
109.02887	8.3
109.06571	9.9
109.10186	6.5
111.08087	11.8
117.07012	15.4
119.08591	43.0
121.06519	6.3
121.10130	34.6
123.08067	17.1
127.03948	18.3
129.07037	4.4
129.10233	5.8
131.08565	70.5
133.10129	29.4
135.11691	9.1
137.05940	6.5
143.08545	6.5
145.04967	11.6
145.10144	17.4
147.04422	10.5
147.05748	5.2
147.11690	64.2
149.09630	37.7
151.07565	18.7
153.05389	5.4
156.09369	10.2
159.11685	24.7
161.13277	17.0
163.03905	23.6
163.06015	4.9
163.11211	8.8
165.12779	16.6
165.89421	4.8
169.08652	16.2
171.10283	6.8
171.11664	27.8
173.13306	5.8
177.05579	5.3
177.12740	9.9
189.12743	59.8
191.14299	5.1
200.88838	4.7
207.13812	100.0
225.14870	77.5
243.15941	41.4
325.09955	5.3
368.45868	5.1
369.19055	5.7
372.22772	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	584.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63915	2.0
53.03943	6.3
55.01877	4.6
55.05522	10.5
57.03446	4.6
57.07076	3.7
59.05008	16.8
61.02920	3.6
67.05501	11.7
68.99790	3.0
69.03436	17.0
69.06076	21.0
69.07069	80.4
71.05031	5.3
71.08631	5.2
72.08151	2.8
72.60535	2.1
73.02920	4.8
73.06555	5.0
75.32056	2.2
79.05492	5.9
81.03421	15.7
81.07070	13.8
83.04953	2.5
83.08638	5.4
85.02906	47.1
86.06067	13.6
86.09708	3.3
87.00838	13.1
87.04476	5.7
91.05493	6.9
93.07053	6.0
95.08619	7.5
97.02896	16.6
97.06538	4.1
97.10176	3.3
98.09705	5.3
98.22533	4.3
99.04456	7.9
99.08103	2.4
104.10719	3.0
105.01878	9.6
105.07080	5.7
107.04969	3.5
107.08624	4.8
109.02863	16.0
109.06538	5.2
109.10160	19.6
109.86742	2.3
111.04489	2.9
111.11726	95.4
116.10750	23.1
119.08613	5.6
121.06470	2.8
121.10143	4.0
127.03919	24.7
127.11234	12.7
129.12762	84.2
131.04996	2.2
133.10153	4.5
136.70818	2.2
137.05983	8.0
142.08623	5.2
142.12283	83.9
145.04958	12.5
145.10130	4.2
147.08243	2.1
149.09653	2.5
155.41833	2.4
159.02902	4.7
163.11238	3.0
167.07076	4.6
173.09682	3.5
187.16974	7.5
191.10687	4.4
205.55444	2.1
214.18024	2.6
215.16426	100.0
216.16850	5.7
231.05104	2.4
301.20169	8.8
304.17563	3.1
324.21722	31.0
345.50519	2.3
422.29141	5.5
486.26968	64.4
517.37323	2.6
524.56903	2.3
540.28516	3.0
584.26178	16.7
584.34204	13.2
585.28632	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	584.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01884	4.3
55.05515	2.5
57.03436	3.0
57.06186	0.9
57.07084	1.0
61.02941	2.4
67.05505	8.2
67.23325	0.8
68.99785	1.1
69.03434	10.7
69.07070	4.0
70.92953	1.8
71.04998	2.8
73.02922	3.2
79.04878	0.8
79.05089	1.1
79.05489	7.4
81.03419	13.1
81.07061	19.2
81.07522	1.4
83.08622	2.1
85.02912	31.8
85.06518	1.0
87.00837	16.2
87.04510	0.8
87.33837	0.8
91.03983	0.8
91.05487	12.5
93.07047	18.9
95.04982	2.8
95.08611	20.1
97.02904	13.9
97.06541	1.5
97.10162	1.5
99.04447	6.8
105.01871	13.6
105.07037	32.4
107.04980	1.4
107.08599	26.0
108.04484	2.4
109.02895	15.2
109.06540	1.2
109.10168	25.9
111.08080	1.1
117.01874	2.3
117.07035	3.9
119.08583	41.8
120.08922	1.6
121.06496	1.1
121.10139	16.0
123.08092	1.2
123.11725	3.8
125.09595	1.2
127.03922	26.9
128.06227	1.1
129.01830	1.1
129.07019	2.6
131.08577	14.9
133.10141	16.3
135.08015	1.1
135.11682	6.2
137.09711	0.9
139.11200	1.2
143.08589	9.0
145.04971	13.6
145.10126	26.3
147.11697	27.7
149.09503	0.9
149.13235	6.2
151.07552	1.0
151.11171	3.0
155.08565	1.0
157.10112	8.2
157.44753	0.9
159.02899	10.0
159.11717	15.0
160.12108	1.0
161.13263	17.9
163.11188	1.0
163.14803	2.4
165.12791	1.2
169.10182	2.7
171.08015	0.9
171.11684	4.2
173.13266	11.5
175.11319	1.0
175.14810	6.8
179.10669	4.5
181.10098	0.9
183.11714	1.4
185.13278	5.8
187.14850	2.1
191.10677	2.3
191.14349	1.1
193.12260	5.1
195.11700	1.5
195.13762	1.1
197.13318	1.6
199.14836	18.8
200.15302	1.0
201.16373	2.1
205.12279	3.9
207.13853	3.2
213.04085	1.8
213.16400	8.5
221.15416	2.4
225.16420	1.1
227.17902	7.1
231.05040	7.3
231.13745	1.2
245.15387	5.2
248.07661	1.8
249.06047	2.0
251.18100	1.2
253.19696	1.2
255.21089	92.7
256.21594	5.1
257.22720	2.7
259.17087	2.6
265.19571	1.5
273.18579	1.3
273.22137	3.3
283.20578	18.6
284.20840	0.9
299.19986	1.5
301.21637	100.0
302.21970	6.9
319.22684	21.7
320.23151	1.4
339.23373	1.0
363.23499	1.1
385.23578	1.6
409.23929	6.2
427.24826	5.8
467.24350	2.3
495.23795	1.1
503.26236	2.9
513.24707	2.1
531.25873	5.3
532.26428	1.0
549.26935	4.6
567.27521	1.3
584.29443	1.5
585.28119	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	584.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61832	7.7
55.05515	11.4
57.07064	12.7
59.48490	7.0
63.75712	7.0
67.05499	29.4
69.03448	8.0
69.06438	41.3
69.06837	20.4
69.07089	13.9
70.64771	7.0
71.08623	9.6
74.26370	7.1
79.05504	37.8
81.07063	34.0
82.07440	7.4
83.08632	8.8
89.06017	43.3
89.68095	8.4
91.05482	42.2
93.07040	48.2
95.05022	13.4
95.08606	37.2
103.05331	10.4
105.07034	71.0
107.08616	39.6
109.06523	14.5
109.10168	15.5
117.07039	18.2
119.08580	100.0
121.10144	28.3
123.08076	9.5
128.06204	12.5
129.06987	14.8
131.08595	34.8
133.08597	22.2
133.10139	33.7
134.10464	11.3
135.08070	17.3
135.11699	14.8
137.09682	10.1
141.06970	9.3
142.07784	22.8
143.08594	33.5
145.10144	63.8
147.11655	15.4
155.08551	17.1
156.09303	16.6
157.10114	54.9
159.08051	8.5
159.11676	36.6
163.11293	10.4
165.09138	31.6
169.10136	25.9
171.11743	27.7
173.13257	19.3
175.11150	15.6
175.14827	14.4
177.11258	16.2
181.10156	11.2
182.10995	10.3
183.11732	17.5
185.13208	14.5
193.10089	9.7
194.10693	8.9
196.12395	11.5
197.13309	24.8
203.14293	14.7
209.13239	16.3
211.14838	15.0
212.03769	9.7
221.15340	52.0
221.17281	8.0
222.15720	11.8
223.14903	17.7
247.17029	16.0
273.36526	8.1
299.19855	10.8
300.28903	13.6
311.29431	32.6
337.21494	8.3
352.24036	48.7
353.23865	11.2
365.24881	13.2
371.22830	13.1
438.31229	10.8
491.35797	10.0
492.35358	9.5
504.35986	67.3
584.41455	28.1
584.56232	75.7
604.25647	8.6
611.04639	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	584.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.0
57.07080	32.7
57.27714	1.5
67.05518	2.2
69.06377	3.4
69.06784	7.1
69.07107	6.5
70.06584	2.1
71.08636	26.6
72.45609	1.1
73.06568	7.2
76.46281	1.4
77.98500	1.2
79.05499	1.4
81.07043	2.2
83.08614	4.8
85.10188	17.8
87.04473	4.8
88.07634	1.2
89.06034	100.0
91.05508	1.9
93.07044	2.7
95.08614	1.8
97.10165	5.7
99.11756	1.7
105.07040	2.7
107.07046	2.2
107.08590	2.1
111.11649	2.6
117.09138	4.0
119.08589	3.6
121.10136	1.3
125.13229	1.1
130.08630	1.4
131.07031	1.6
133.07611	2.5
133.08607	45.4
133.10155	2.3
145.10158	1.9
171.11693	1.7
177.11235	18.4
197.22659	2.6
221.13803	3.4
241.25314	1.7
256.26303	2.5
258.29007	1.2
283.17474	2.0
283.26260	1.5
285.27875	3.4
300.28952	3.7
311.29410	7.0
329.30524	3.3
370.22638	1.2
371.22986	6.7
374.51944	1.2
567.44287	4.2
569.12256	1.3
584.56152	14.4
585.36835	2.0
585.55664	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2708
Annotation	(3Z)-Phytochromobilin
Peak:m/z	Relative Intensity
57.07061	1.1
61.80967	0.5
67.05499	1.2
69.07079	0.9
69.17691	1.7
69.18117	2.6
70.06598	0.7
76.29774	0.6
79.05486	1.3
81.07057	2.2
83.08607	0.6
91.05487	1.2
93.07047	1.4
94.06580	1.4
95.08611	1.8
97.06538	0.7
98.22559	1.1
105.07035	2.3
107.08594	1.9
109.10169	0.7
118.06572	1.2
119.08600	1.8
120.08058	1.0
121.10148	1.2
121.70673	0.5
122.09671	0.8
123.11722	0.7
124.65714	0.5
131.08566	0.7
135.07974	0.5
145.10141	0.7
146.06047	0.6
158.09659	1.0
159.09264	0.6
159.11658	0.6
170.08347	0.7
171.09135	0.7
173.10753	0.8
183.09198	1.3
185.10802	0.8
187.85464	0.6
195.09196	1.1
196.09969	1.1
197.10747	3.1
198.11555	1.0
207.09241	1.1
208.09831	0.8
209.10762	2.0
210.11534	2.0
211.08801	1.2
211.12367	2.2
212.13098	0.6
213.10194	0.9
213.13988	0.7
221.10825	1.0
222.11649	1.1
223.12369	3.8
224.13159	1.0
225.10248	1.8
225.13878	5.5
226.14571	1.7
227.08179	0.7
227.15424	0.8
229.09755	0.7
234.11528	1.0
235.12358	1.2
237.10245	1.9
237.13857	4.9
238.11046	0.8
238.14568	0.8
239.11758	0.7
239.15454	1.7
241.09752	2.2
247.12917	2.3
249.10292	0.6
249.13945	1.9
253.13405	1.0
255.11349	1.4
261.14212	0.8
263.16208	1.2
265.13416	1.1
269.12851	1.1
275.15488	1.0
280.12057	0.7
285.09137	0.6
285.12753	0.7
287.14365	1.1
288.11212	0.8
290.12906	1.0
297.12500	1.9
298.13437	1.1
299.14273	0.8
300.14999	1.6
300.29007	0.9
302.09387	1.0
302.12775	0.8
304.14499	1.5
311.14166	0.6
311.29544	1.3
312.15060	1.2
314.13107	1.2
314.16635	1.6
315.13577	1.6
317.11536	0.6
317.19049	0.7
318.16037	1.0
327.17194	0.7
328.14606	0.8
328.18219	1.0
330.12479	1.2
332.14041	0.7
332.17581	0.9
344.13974	0.8
356.13943	1.1
356.17807	0.8
363.15994	0.9
364.17288	0.7
376.16837	0.9
377.17694	2.2
378.18231	1.3
385.14749	0.6
390.14621	0.7
391.19229	2.3
392.20255	1.0
393.20804	2.1
402.18146	1.8
404.15714	3.4
405.16571	1.3
405.21164	1.3
406.22095	0.7
407.14752	1.1
407.22568	1.1
408.23242	0.8
417.17471	1.1
418.18018	1.6
419.18655	1.9
420.19217	1.3
421.24304	0.9
423.17636	1.0
428.15945	0.8
432.19693	0.9
433.20306	2.5
434.20804	7.8
435.21628	1.8
436.19031	0.7
437.19754	2.0
448.22687	0.8
449.23657	3.3
451.21414	1.2
452.22134	1.5
459.18289	0.7
463.24908	1.1
465.23199	1.2
466.23367	1.2
475.21188	0.7
478.19833	1.0
479.20932	1.5
480.21658	2.1
489.23129	1.1
491.24643	5.7
493.22421	8.1
494.22888	1.1
495.20499	0.6
507.23923	2.2
509.21561	1.7
510.21945	0.6
511.23148	0.8
517.22198	2.2
521.25500	0.8
523.26746	1.3
524.24384	0.9
525.24762	1.8
535.23822	1.2
539.26904	3.2
539.33624	1.0
541.28180	5.7
542.28168	1.0
549.24963	17.5
550.25220	1.5
558.91119	0.6
567.26007	100.0
568.26379	13.4
584.56030	2.8
585.32086	8.7
585.56464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3187
Annotation	Lappaconitine
Peak:m/z	Relative Intensity
55.05510	0.9
57.07051	1.2
66.40585	0.6
67.05494	2.0
69.07066	0.9
69.31889	4.6
69.32227	1.1
79.05482	0.9
81.07050	2.1
89.06025	0.6
91.05471	0.7
93.07054	2.1
95.08607	3.1
95.75833	0.6
98.50373	0.6
105.07015	1.2
107.08598	2.8
109.10159	1.0
118.83304	0.7
119.08585	2.0
131.08572	0.9
133.08601	0.7
133.10152	1.6
135.11700	0.8
145.10193	0.8
157.09952	0.8
198.97446	1.5
300.29065	1.2
480.40375	0.7
523.33832	1.2
525.31891	1.3
539.32794	1.0
541.34460	1.2
567.25348	1.5
567.33197	1.5
584.56238	1.7
585.32159	100.0
586.32623	9.3
594.83923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01867	1.4
55.05514	23.0
56.88868	0.7
57.03442	6.6
57.07080	4.3
58.34890	0.7
58.38222	0.8
61.12412	0.7
67.05508	58.3
69.07068	23.8
69.59173	3.6
71.04993	3.3
71.08646	1.7
77.03919	1.7
78.52599	0.8
79.05494	41.5
80.05813	1.2
81.03425	1.0
81.07059	62.0
83.05003	2.1
83.08620	12.8
84.08987	0.8
85.06547	4.3
91.05483	33.4
92.05813	1.1
93.07049	44.0
94.07423	0.9
95.04967	4.0
95.08608	55.3
96.08920	1.0
97.06541	4.1
97.10170	6.2
99.08122	2.3
103.05476	0.7
105.07033	32.9
107.08598	27.5
109.06546	2.2
109.10163	27.4
109.13670	0.8
111.08092	3.3
111.11746	1.6
115.05437	1.4
117.07030	14.3
119.08584	30.1
121.06592	0.8
121.10145	29.7
121.20866	0.8
122.10471	1.1
123.08099	1.0
123.11708	11.2
125.09674	1.5
128.06232	2.3
129.07001	7.7
130.07800	1.4
131.08572	23.4
133.10133	28.9
135.08110	1.4
135.11693	22.2
135.12674	1.4
137.09613	1.0
137.13225	3.6
139.11188	1.9
141.07019	3.2
142.07785	1.1
143.08563	11.1
145.10117	23.6
147.11684	19.5
148.12029	1.0
149.09657	1.5
149.13258	10.4
151.11157	1.3
151.14854	1.6
153.06931	0.7
155.08574	3.3
156.09363	1.3
157.10144	9.5
158.10724	1.0
159.11685	19.1
160.12064	0.8
161.09695	1.5
161.13254	12.8
162.13745	0.8
163.11287	1.6
163.14882	3.9
165.16383	1.1
167.08604	1.2
169.10144	3.9
171.10353	1.3
171.11682	10.2
173.13258	15.0
174.13725	1.2
175.11214	1.3
175.14842	7.9
177.12808	1.3
177.16418	2.0
178.49359	0.8
181.10173	0.9
183.10272	0.9
183.11752	3.4
185.13281	9.9
187.14819	8.7
188.15201	0.9
189.12749	0.9
189.16414	4.2
191.14363	1.1
191.17931	1.5
195.11777	1.1
197.13348	2.8
199.14835	7.8
201.16370	6.3
203.14301	1.2
203.17999	3.3
205.19597	1.7
209.13322	1.7
211.14856	2.8
213.14757	1.1
213.16435	7.5
214.13434	0.8
215.17966	10.9
217.15999	1.1
217.19511	4.3
219.17444	0.9
223.14890	1.5
225.16507	1.9
227.16217	0.9
227.18134	2.2
229.15959	1.1
229.19598	2.2
231.17432	7.7
231.21060	1.2
233.19023	7.1
235.20598	1.6
237.16498	0.8
237.18582	0.9
241.19781	4.3
243.21150	2.5
245.18922	1.1
245.22842	1.0
247.20729	1.6
255.21234	1.0
257.19034	1.6
259.20572	6.9
261.22202	8.1
271.20697	0.9
273.22162	0.9
275.20197	0.9
275.23816	0.8
277.21811	1.0
281.21140	0.9
285.22113	1.4
287.23795	2.3
295.22903	1.2
299.23785	2.3
301.25339	0.9
305.21124	1.8
307.22702	9.8
309.24240	5.3
311.29477	1.2
313.25357	2.0
315.26825	1.1
317.24841	1.7
333.24219	4.5
335.25818	9.6
337.27444	4.2
339.27029	1.0
341.28278	1.4
347.25858	1.5
355.30118	1.1
387.28897	1.2
423.32663	1.5
461.32596	1.3
473.36505	1.9
475.34290	2.2
475.39587	2.0
487.37845	1.2
489.35629	1.0
493.40359	10.7
501.35834	1.0
503.37253	1.1
511.41367	3.3
515.37665	1.8
529.39038	1.5
558.18365	0.9
567.44012	13.2
568.44208	1.8
585.45142	100.0
586.45520	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	585.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67597	2.0
53.03932	4.9
55.01892	2.2
55.05515	24.2
57.03441	8.2
57.07074	5.7
67.05508	65.9
69.07066	21.0
70.06614	2.5
71.05002	2.7
71.08638	3.0
71.31902	3.1
79.05495	37.9
81.07059	57.7
83.05036	2.8
83.08617	14.9
85.06551	2.1
89.06059	3.6
91.05482	37.4
91.06010	3.0
93.07042	48.5
95.04967	4.5
95.08614	48.9
97.06551	4.4
97.10187	7.8
99.08121	4.3
105.07025	37.4
107.08598	36.2
108.64494	2.2
109.06544	2.3
109.10156	24.3
111.11749	2.4
117.07009	13.0
119.08598	31.6
121.10166	25.4
123.11691	13.3
125.09620	2.4
128.06238	2.5
129.07037	8.9
131.08591	23.0
133.10138	29.9
135.11688	16.0
136.76256	2.4
137.09666	1.9
137.13286	3.3
141.07037	3.8
142.61455	1.9
143.08598	10.5
145.10132	23.8
147.11691	21.1
149.13304	8.5
157.10118	9.5
158.62144	2.0
159.11722	18.3
161.13268	14.2
163.11201	2.4
163.14827	3.1
169.10246	4.9
171.11716	12.6
173.13278	13.0
175.14903	7.2
177.16374	2.5
183.11710	3.5
185.13313	8.0
187.14871	7.8
189.16440	2.7
193.10133	3.2
197.13275	3.3
199.14848	6.3
201.16418	3.0
203.17970	3.7
211.14909	2.5
213.16475	6.3
215.18120	5.6
229.19470	2.0
231.17581	4.1
233.19070	6.3
259.20682	6.2
261.22229	5.7
298.89899	2.2
305.21359	2.1
307.22739	8.7
309.24393	6.0
311.29553	2.4
329.44684	2.2
333.24295	3.5
335.25732	10.7
337.27518	4.0
457.34500	2.3
459.17975	2.7
469.39191	2.1
475.39703	2.9
493.40436	8.0
511.41852	4.4
567.43988	10.8
585.45148	100.0
585.55798	6.6
586.45581	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	586.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48213	0.5
53.03945	1.7
53.19921	0.6
54.96933	0.7
55.01872	1.2
56.53926	0.5
57.03432	2.5
61.02938	4.2
65.03934	1.8
69.03429	8.7
69.04712	3.3
69.05128	1.8
70.06581	1.1
71.04996	1.2
73.02917	1.8
81.03410	4.4
81.53416	0.5
85.02910	54.9
86.03245	1.0
86.09702	1.0
87.04483	1.4
89.38254	0.6
89.57166	0.6
91.03945	2.6
91.05486	100.0
92.05830	2.5
93.07089	0.7
97.02899	15.6
99.04451	2.5
109.02901	3.8
123.04399	0.6
127.03924	13.4
145.04962	20.3
161.06006	0.9
163.06015	7.3
167.03360	1.4
167.07063	0.8
191.67807	0.7
245.08113	1.8
345.97488	0.7
454.38031	0.6
463.76093	0.7
529.18677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66261	0.3
55.01871	0.3
57.03421	0.4
61.02923	0.3
65.03951	1.7
67.05471	0.5
69.03432	2.0
69.07066	0.4
71.04990	0.4
73.02901	0.3
81.03424	0.7
81.07042	0.5
83.05036	0.3
85.02908	6.7
91.05482	100.0
91.71070	0.4
91.97330	0.3
92.05814	2.7
93.07024	0.5
94.55794	0.3
95.08621	0.4
97.02885	1.6
99.04485	0.4
105.06956	0.4
107.08627	0.5
109.02904	0.8
119.08620	0.4
123.04403	0.5
123.11758	0.3
127.03931	1.9
128.19945	0.3
137.02351	0.5
137.09618	0.5
145.04964	2.5
149.02408	0.4
163.06059	0.9
163.54291	0.3
165.12764	0.4
173.41069	0.3
188.39375	0.3
200.28131	0.4
245.08122	2.1
253.51515	0.3
256.33261	0.3
313.67880	0.3
316.12753	0.3
316.48578	0.4
395.78961	0.3
416.45209	0.4
586.26489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	17.1
55.05503	14.6
61.02924	5.8
67.05502	24.5
68.33066	4.0
69.03419	15.9
69.07077	20.9
69.95847	16.5
70.06594	8.4
71.04988	10.5
73.02926	10.3
79.05494	22.2
81.03413	5.9
81.07060	45.1
83.04990	19.2
83.08614	5.7
85.02908	50.0
85.06537	5.9
86.09673	3.9
91.03936	4.7
91.05480	100.0
92.05803	3.7
93.07048	52.9
95.04980	19.9
95.08615	26.1
97.02881	13.4
97.06544	28.2
99.04449	13.5
101.02352	5.5
105.07043	43.7
107.04894	4.6
107.08587	41.3
109.02869	8.5
109.06532	26.1
109.10147	10.6
111.08084	22.6
113.06004	3.8
119.08583	17.5
121.06498	35.4
121.10154	16.0
123.08051	7.7
123.11694	13.2
125.05975	14.8
127.03910	13.9
127.07580	9.2
131.08546	7.9
133.10147	21.9
135.08090	12.8
135.11662	7.3
138.09244	4.6
139.07558	17.2
141.12761	4.1
145.04979	22.5
145.10129	16.1
147.11700	48.4
149.09622	13.1
151.11174	9.7
157.10110	8.1
161.04449	46.9
161.13268	8.9
163.06064	6.5
163.11209	29.7
165.12740	22.0
167.10677	15.2
169.12259	21.9
171.02895	5.9
171.11688	10.9
173.09711	4.8
175.11179	24.3
181.12263	8.1
189.12769	13.2
191.10727	14.4
193.12213	30.6
193.62743	4.2
199.11243	9.1
207.13895	4.7
209.11893	6.5
211.13232	27.0
217.12270	26.4
227.12814	14.0
229.14348	19.6
235.13374	26.9
253.14359	34.8
269.06519	4.3
271.15369	5.7
285.13373	7.6
305.89334	3.9
309.13220	4.9
325.17068	4.0
327.14453	20.1
353.16031	30.1
355.13818	21.8
371.17017	12.5
373.14761	19.3
379.13849	16.4
397.14734	15.3
497.16269	8.1
515.17255	13.8
533.18842	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01873	3.5
55.05517	1.8
57.03442	1.7
60.04527	2.1
61.02916	2.6
65.03941	3.2
67.05511	3.2
69.03418	6.4
69.07086	1.8
69.14404	7.4
69.14822	2.4
70.06586	7.0
71.05000	1.2
72.08154	1.0
73.02926	2.5
75.04491	3.7
75.16171	1.1
77.03924	1.4
78.04710	2.7
79.05497	4.5
81.03419	2.4
81.07050	5.7
83.04986	1.6
84.08102	1.6
85.02901	13.2
85.06531	2.1
86.09715	2.9
89.06049	1.6
91.05481	22.3
91.06011	1.9
91.75476	1.1
92.82586	1.3
93.03410	11.3
93.07053	6.2
95.04964	5.7
95.08618	3.5
97.02908	6.9
97.06553	3.3
98.23380	2.5
99.04471	2.3
103.05474	7.7
104.07126	2.2
105.01855	1.3
105.07047	8.8
106.04176	29.4
106.04861	2.1
107.04964	1.8
107.08624	1.8
109.06514	2.1
111.04450	1.5
111.08145	1.2
115.03928	2.3
119.04956	2.8
119.08612	1.2
121.06504	30.7
121.07350	1.6
121.10103	1.6
123.08086	3.1
123.11732	2.5
125.05998	8.9
127.03941	2.8
131.04936	2.7
133.02858	5.2
133.05017	1.5
133.06519	4.2
133.10103	1.6
134.03613	4.3
137.05960	6.6
139.07587	2.0
145.02853	2.2
145.04941	6.1
145.09985	1.1
148.05223	3.1
149.05984	44.1
151.07567	3.4
153.05568	2.1
153.09102	12.5
154.44542	1.6
161.04533	2.6
161.05992	9.4
163.06174	1.7
163.07545	4.4
165.05562	1.5
166.06410	1.4
167.07080	1.8
168.83598	1.2
177.05467	23.6
179.07033	1.8
181.08603	22.3
189.12729	1.2
191.07011	11.3
193.08617	7.7
209.08092	100.0
210.08533	2.9
211.13252	1.1
214.73836	1.2
217.12462	1.7
225.72433	1.1
227.12761	1.6
227.16418	1.4
235.13232	1.4
244.09752	1.9
293.05551	1.1
310.52203	1.2
328.21078	1.7
353.15796	1.5
370.25891	2.4
388.26868	1.8
406.28000	1.4
419.21747	1.4
587.23260	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09047	3.0
53.03943	4.2
55.01873	18.2
62.06092	3.8
69.03432	5.2
70.06595	14.5
75.04456	4.6
75.20473	3.1
78.04710	3.6
79.05500	8.9
81.07059	6.0
85.02910	13.1
86.09724	13.1
91.05470	20.8
93.03407	10.6
93.07057	8.3
95.04974	7.5
97.02908	4.1
103.05463	14.9
105.01876	5.2
105.03437	5.8
105.04535	2.8
105.06418	4.5
105.07040	26.9
106.04184	25.0
107.08637	4.6
109.02879	4.6
110.07195	3.5
115.05443	5.5
118.04137	5.7
119.04957	9.8
121.06505	42.0
124.05179	3.8
125.06034	8.3
127.03960	6.8
129.07043	4.4
129.10234	3.2
131.04898	22.3
133.02852	16.4
133.06480	19.4
134.03621	16.4
137.05960	17.7
139.07555	3.7
141.09120	3.7
146.03575	4.3
147.04411	11.9
148.05225	3.8
149.05980	46.1
153.05452	7.6
153.09137	9.3
156.01740	3.3
161.06001	39.0
163.07547	19.9
165.05499	7.7
167.07060	9.8
173.06056	3.7
177.05464	31.1
177.09024	4.6
179.07086	8.3
181.08618	16.2
187.07524	3.8
190.54105	3.0
191.07042	53.1
193.08611	29.2
205.08653	3.2
209.08093	100.0
235.09662	27.1
271.08984	3.7
332.50870	3.9
339.12152	4.8
392.16095	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	586.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.01852	0.2
57.03431	0.2
69.03412	0.4
70.06612	0.8
71.04972	0.3
71.31848	0.2
72.08151	0.4
78.04691	1.4
79.05487	0.8
79.80625	0.1
81.03397	0.2
81.07029	0.4
84.08141	0.4
85.02897	0.9
86.09710	0.6
91.05475	1.0
93.07049	0.5
95.04983	0.3
96.05757	0.2
103.05455	0.4
105.07028	0.8
106.04168	0.9
106.07362	0.2
107.04969	1.1
107.08598	0.2
109.02925	0.2
109.06534	0.3
119.04930	0.7
121.06491	0.6
122.03716	0.2
123.04445	3.5
124.05204	1.0
131.04936	0.4
133.06511	1.2
134.03633	0.2
134.58801	0.2
135.04459	0.2
137.05965	0.7
143.06050	0.2
147.04395	1.4
149.05981	0.8
151.03888	0.7
151.07555	0.5
152.04671	1.2
153.05511	0.2
159.13794	0.2
161.05998	1.0
163.07613	0.2
167.07040	100.0
168.07390	2.9
177.05472	0.3
179.07030	1.8
181.08601	0.9
191.07098	0.2
193.08606	4.7
211.09662	9.6
212.09984	0.3
241.12280	0.2
245.31413	0.2
318.90729	0.2
331.33398	0.2
389.15808	0.3
405.18954	0.2
416.62759	0.2
534.24878	0.2
586.25525	1.8
587.30310	0.4
590.01001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.6
56.05041	6.2
57.03447	6.5
58.40400	3.4
60.11832	3.6
61.47684	3.3
62.06097	3.5
63.26325	3.9
69.03423	6.4
69.29045	23.2
70.06600	52.3
71.04980	4.9
72.08152	18.0
73.02922	6.2
74.62296	3.3
79.05499	10.4
81.03397	10.0
84.04498	10.0
84.08135	16.4
85.02898	19.5
86.09713	23.4
91.05496	22.0
94.04164	4.5
95.04959	3.4
97.02886	8.1
97.64743	3.7
98.97581	5.4
103.05486	24.0
105.07023	7.6
106.04179	12.7
107.04950	11.9
110.07140	4.2
115.05459	6.9
116.98695	3.8
117.07009	9.1
119.04938	16.4
121.06491	10.6
122.03661	5.9
123.04420	7.1
124.05225	4.2
129.06943	9.5
129.10252	16.6
131.04938	55.2
131.08545	9.0
133.06508	4.3
137.05984	100.0
141.06956	4.8
144.05722	6.5
145.06490	14.0
147.04417	12.5
149.05945	19.3
151.03848	4.7
151.07545	9.3
153.05530	5.6
156.05655	9.1
157.06465	8.3
159.08084	12.4
161.05959	28.0
163.07518	23.2
167.07045	53.1
169.07660	5.4
172.34377	3.8
173.05974	19.6
175.07530	32.2
177.05453	13.5
179.07013	13.6
180.08763	5.0
181.04964	7.7
181.08539	6.6
187.07536	23.7
189.09050	5.2
190.06285	5.1
191.07034	7.6
193.04982	35.2
193.08749	4.7
203.07010	4.2
205.08481	26.8
209.08112	36.1
215.06937	4.9
217.08620	57.1
218.08969	5.2
219.07922	4.0
219.10110	4.8
233.09653	9.5
235.07558	8.2
235.09717	23.5
247.07513	5.2
247.09747	18.9
249.09038	8.0
249.11324	5.3
261.05499	10.3
261.09052	10.3
262.05911	9.8
263.06796	5.1
265.10785	10.3
276.08023	4.2
277.08615	11.7
278.09198	7.1
279.06445	20.4
280.06787	19.6
281.11835	7.1
285.07516	11.8
293.11938	6.5
295.09628	6.2
300.09900	11.7
301.10678	7.6
303.06415	21.0
304.06607	20.4
309.11240	11.9
315.06580	4.9
316.06964	4.7
321.07715	7.0
321.11206	15.4
322.07889	12.7
323.08801	5.0
326.11655	6.8
341.13766	22.4
353.13873	53.3
354.13962	4.6
371.10684	6.9
371.14905	67.2
404.64041	4.2
508.13431	4.8
526.14307	18.0
586.14166	8.5
587.14777	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	586.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78658	5.4
53.03938	7.4
54.21445	5.9
55.01876	35.4
55.05509	20.1
61.02930	11.1
67.05507	38.3
69.03416	27.4
69.07072	19.2
70.06577	17.9
71.04986	29.7
71.31325	11.0
73.02919	16.0
79.05482	30.3
81.03403	30.6
81.07056	94.7
83.04988	48.0
83.08617	11.9
84.08135	7.9
85.02901	42.4
85.06535	12.7
87.00820	10.4
91.05485	36.9
93.03397	7.7
93.07042	89.4
95.04973	32.8
95.08608	49.8
97.02895	28.7
97.06536	45.7
99.04459	38.2
101.02392	18.2
103.05492	11.4
105.01839	15.0
105.07040	74.8
106.04173	16.8
107.04938	12.0
107.08586	52.3
109.02890	35.8
109.06512	37.9
109.10135	13.9
111.08097	48.4
112.82627	6.4
113.06081	9.2
117.07010	7.4
119.08557	40.5
120.08065	6.3
121.06503	88.3
121.10140	25.4
123.08043	12.4
123.11678	34.4
123.23964	7.4
125.06010	34.8
127.03905	38.7
127.07576	11.8
129.06998	9.2
131.08548	9.9
133.06509	16.4
133.10123	39.3
135.04445	8.1
135.08058	30.5
135.11696	10.3
137.06024	16.8
139.07521	28.0
141.12695	10.5
143.07040	9.9
145.04973	9.6
145.10121	8.4
147.04411	27.8
147.08084	8.7
147.11711	77.6
149.05977	29.1
149.09605	19.6
151.11189	14.3
153.09091	16.5
157.10138	16.8
159.06586	8.7
161.04480	92.4
161.05852	13.0
165.12779	39.0
169.12221	56.9
171.11688	20.0
175.11205	70.7
177.05482	16.5
181.08574	15.0
187.06003	21.0
189.12776	38.9
191.06938	8.9
193.08635	11.6
193.12259	68.8
199.11237	25.0
205.07024	8.1
207.13806	10.9
209.08115	60.6
211.13248	73.5
217.12257	84.0
229.14336	28.4
235.13287	74.1
243.08656	11.7
253.14320	100.0
254.14548	10.4
271.15527	13.1
311.14896	18.2
329.16046	20.3
335.14810	12.2
347.83673	6.9
353.15921	98.0
354.16104	11.5
355.17422	19.6
371.17062	60.7
373.18155	7.1
379.17566	9.6
389.17957	14.9
397.18787	12.8
410.58502	6.9
419.18375	8.9
461.18170	7.3
497.20209	20.0
515.21240	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	586.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03465	7.2
53.03122	6.6
53.03951	15.3
55.01869	31.7
55.05514	18.7
57.03432	7.9
61.02943	11.3
64.38586	7.6
65.03941	14.0
67.05504	41.7
69.03435	36.8
69.07076	39.2
69.55956	14.0
69.56360	34.0
70.06595	36.9
71.04988	24.1
73.02915	7.7
79.05489	43.7
81.03423	42.0
81.07055	83.1
83.04986	42.7
83.08616	16.1
85.02911	40.2
85.06550	13.0
86.09705	17.2
87.00840	19.8
91.05505	45.5
93.07056	100.0
95.04994	47.1
95.08607	49.3
97.02876	44.9
97.06507	43.9
99.04475	36.9
101.02396	15.8
101.91712	7.9
103.05432	12.1
105.01890	21.5
105.07050	92.1
106.04180	11.1
107.04958	11.3
107.08589	77.4
109.02883	81.1
109.06522	57.3
109.10167	13.0
111.08074	61.0
119.08592	36.4
121.06505	81.7
121.10165	53.8
123.04433	13.1
123.08075	19.6
123.11742	35.6
125.06001	25.1
127.03931	55.6
127.07576	15.9
131.03386	8.3
131.08620	9.4
133.06514	11.3
133.10139	42.8
135.08067	24.5
135.11710	8.4
137.05978	19.4
139.07558	23.5
143.07056	17.1
145.10153	16.1
147.07996	13.1
147.11676	87.3
149.05995	14.9
149.09621	40.7
151.11212	16.5
153.09035	10.3
155.06973	9.0
157.10150	17.5
159.06618	12.2
161.04475	80.5
161.05824	18.4
161.13271	16.6
163.07611	10.5
163.11150	19.6
165.12773	34.6
167.10730	21.4
169.12250	65.0
171.02968	8.0
171.11716	22.7
175.11188	91.0
176.11388	7.2
177.05536	10.7
181.08658	9.1
187.06032	21.5
189.03830	8.2
189.12791	33.6
191.10759	19.4
193.12250	74.6
199.11200	23.2
205.07071	14.6
207.13806	10.3
209.08104	37.6
209.11647	8.2
211.13303	68.9
217.12268	66.0
227.12766	13.0
229.14282	13.5
231.05060	11.7
235.13341	61.7
253.14320	79.1
271.15533	9.9
285.13348	9.8
311.14865	9.7
327.14447	12.0
329.15973	26.8
335.15137	12.9
353.15945	79.1
355.17548	20.0
371.13470	7.2
371.17123	60.9
389.17877	12.0
456.15698	7.3
497.20291	11.6
515.21313	9.5
586.24524	16.0
587.12427	11.6
587.20190	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58233	0.7
55.05508	2.5
57.07079	34.9
58.88449	0.8
69.07063	2.2
71.08635	24.9
71.10185	1.1
73.06555	8.9
73.79794	0.7
83.08644	2.4
85.10187	20.3
87.04467	5.4
89.06033	100.0
91.07583	1.1
97.10184	3.4
99.11737	3.9
107.07101	3.1
113.13309	1.6
117.09140	7.0
130.08701	1.9
131.07059	1.2
133.08611	47.9
155.17935	3.8
161.11743	1.2
172.69183	0.9
175.09789	1.0
177.11238	19.7
199.20576	4.2
221.13901	2.2
243.23196	7.6
287.25809	3.9
327.20282	1.2
400.02133	0.9
415.25320	3.3
569.42493	4.1
586.45215	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82099	0.2
60.04522	0.2
60.82706	0.2
69.03406	0.3
69.24178	1.3
70.06590	1.3
71.04991	0.2
72.08158	0.3
76.45139	0.2
79.05511	0.2
84.04473	0.2
84.08138	0.6
85.02912	0.6
86.09708	0.3
91.05470	1.1
92.53949	0.2
95.04976	0.2
97.02903	0.3
98.06061	0.2
98.23380	0.3
109.02864	0.2
116.01214	0.2
118.71626	0.2
124.07617	0.2
126.99466	0.2
129.10249	0.4
132.06535	0.2
137.05984	0.5
145.09933	0.2
170.13753	0.2
233.15430	0.2
264.12369	0.4
267.67789	0.2
275.07297	0.3
287.17880	0.2
291.03931	0.2
293.09991	0.7
311.09818	0.3
317.08548	0.4
425.14124	4.9
425.19733	0.4
426.14850	0.2
453.13708	0.2
455.15192	4.6
456.15762	0.4
479.14056	0.3
587.19458	100.0
588.19800	10.6
603.04321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68207	2.6
53.16565	2.1
69.03426	2.6
71.04998	16.1
71.30640	3.3
79.92688	2.3
83.04983	8.2
83.35616	1.9
84.08121	2.2
85.02905	100.0
95.01357	3.5
110.45578	2.3
111.04459	7.6
127.03913	24.7
129.05504	5.5
129.10265	2.0
141.01823	24.8
147.06517	3.3
183.02908	2.9
201.03908	18.0
247.64914	2.2
261.06042	33.1
263.00116	2.3
297.04990	2.1
311.07642	3.8
588.19623	3.6
589.24841	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	588.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.8
55.01872	1.2
57.03443	1.9
62.70437	0.8
64.63006	0.8
67.05507	1.6
69.03436	1.6
69.07056	1.5
70.06593	4.2
70.53618	1.1
70.53937	2.2
72.08169	1.2
75.04472	1.3
79.05482	7.2
81.03449	1.1
81.07041	1.6
85.02918	3.9
86.09725	2.3
87.04498	1.0
91.05485	5.7
93.07058	2.1
95.04977	2.8
95.08648	0.9
97.02869	2.1
103.05444	7.4
105.07036	20.3
107.04964	2.1
107.08601	1.6
108.05769	1.3
109.06538	2.1
111.08084	1.0
118.04178	5.7
119.04972	6.0
120.05748	1.5
121.06525	1.9
121.10170	1.4
122.07328	1.7
123.04452	1.7
123.08092	1.8
124.05198	1.1
125.06057	1.2
127.03948	1.7
131.04945	6.8
133.02878	4.9
133.06500	20.0
135.04462	2.5
135.08090	3.1
137.05986	12.4
146.03552	1.0
147.04419	4.1
147.11673	1.1
148.05188	1.2
149.05975	3.2
150.06764	12.0
151.07567	5.3
152.08273	1.4
161.06000	3.9
163.03998	0.9
163.06210	1.5
163.07518	10.6
165.05525	1.4
165.09132	12.5
167.07051	9.4
177.05635	1.5
179.07048	5.5
181.08640	1.7
193.08606	60.7
194.08984	2.5
195.10085	1.3
211.09654	100.0
212.10004	4.5
213.11253	1.2
228.57010	1.0
245.15094	1.2
245.88882	0.9
361.16577	1.8
589.14551	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50032	1.7
53.03938	2.4
55.01862	3.8
55.05502	3.2
57.03423	3.2
63.22986	2.4
67.05475	3.6
69.03424	4.1
70.06588	5.0
72.08141	2.8
78.04722	2.4
79.05488	6.9
81.03417	2.9
81.07046	2.6
83.04976	3.8
85.02919	10.1
86.09737	4.2
88.74089	2.0
89.03944	1.9
91.05478	12.4
93.03396	3.8
93.07043	6.6
95.04942	4.5
95.08612	8.7
97.02865	2.2
97.06516	3.0
98.23346	4.6
101.06014	6.1
103.05464	8.0
105.07066	10.7
106.04179	7.1
107.04964	21.0
107.08564	6.3
109.02883	3.1
111.04442	8.8
119.04910	4.5
121.06515	12.2
121.10130	5.7
123.08067	4.5
127.03872	3.9
129.05464	6.0
129.06998	5.8
131.04933	9.0
131.08595	3.9
132.05679	2.4
133.06490	4.7
135.08034	5.2
137.06017	5.2
145.06514	2.1
146.07265	3.3
148.05206	5.1
149.06036	11.6
149.09628	13.4
151.07532	4.6
153.05441	3.4
153.09006	3.8
157.06532	3.7
161.05980	95.5
161.09612	20.2
162.06310	4.3
163.07555	19.2
165.05630	2.2
165.06975	2.8
167.07025	28.6
167.10698	7.3
167.91473	2.2
174.06679	2.2
175.07495	7.6
177.05438	7.6
179.07051	3.4
181.08621	20.8
185.11682	2.7
189.09106	56.0
190.09444	2.6
191.06995	13.5
192.07782	4.0
193.08595	4.0
207.08151	5.2
207.10164	100.0
208.10576	3.7
209.08110	22.4
279.09888	2.8
311.12537	2.4
317.13745	5.0
343.15366	10.2
355.13452	5.0
361.16428	35.4
373.15399	6.6
391.16055	3.6
479.13593	2.1
589.22760	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	588.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27711	8.2
54.42894	8.3
55.01875	11.3
55.05521	15.2
57.03441	11.0
57.07087	11.6
67.05509	56.6
68.99818	15.8
69.00166	100.0
69.03433	28.3
69.07060	15.2
72.11990	8.8
79.05516	29.2
81.03425	23.5
81.07072	73.3
83.08627	17.5
85.02911	56.1
87.00841	29.4
91.05502	37.0
93.07052	58.0
95.04979	11.0
95.08614	98.6
97.02912	30.5
99.04437	10.6
105.01894	25.1
105.07030	73.5
107.08602	81.1
109.02892	25.3
109.10156	78.8
117.07015	11.9
119.08569	65.0
121.10154	48.8
123.11733	31.0
125.09651	11.4
125.55961	9.1
127.03956	40.5
131.08580	17.7
133.10143	43.3
135.11717	31.5
135.34546	12.1
145.05006	17.5
145.10187	25.5
147.02965	11.4
147.11702	29.5
149.13321	18.5
159.02917	9.8
159.11732	16.5
161.13284	45.8
163.14757	10.0
175.14758	12.2
199.14870	10.5
200.66960	9.8
201.16411	11.3
217.19510	86.0
218.19963	13.8
269.22745	16.1
323.25876	9.1
588.30939	50.4
589.31757	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	588.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91606	1.4
55.05516	7.2
55.60811	1.5
61.02950	2.0
67.05505	3.4
69.03431	10.3
69.07066	6.4
69.86620	5.0
70.06586	1.6
71.08640	11.2
72.08164	3.5
73.03326	1.4
79.05502	1.8
79.85242	1.8
81.03428	2.3
81.07067	7.5
83.08610	7.5
84.08138	2.5
85.02913	5.6
85.06559	1.4
86.06077	22.5
93.07045	4.3
95.08627	5.1
96.08161	3.0
96.49726	1.4
97.02906	3.9
97.06550	3.3
98.09703	11.3
99.08097	14.6
100.65401	1.4
105.87612	1.4
107.08598	4.4
108.08125	3.0
111.08052	1.7
113.30181	1.4
116.10739	57.1
121.10174	2.1
122.09663	3.3
124.07598	1.5
127.03905	7.0
140.10794	1.8
149.13278	4.6
156.76944	1.4
159.11732	3.3
166.15894	2.0
196.17020	2.2
214.18013	37.7
215.18517	2.0
231.15933	4.8
239.16364	2.2
257.17474	5.1
261.13312	4.4
292.22797	3.5
310.23758	12.6
328.24829	100.0
329.25214	4.2
348.91431	1.5
376.23438	6.3
426.32166	9.1
472.29114	1.8
490.30099	24.7
588.37964	9.0
589.27783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01868	3.7
55.05514	20.0
57.03434	14.6
57.07073	55.0
67.05505	53.2
69.07068	19.1
69.44527	2.5
71.05016	3.0
71.08630	44.3
71.32424	2.9
73.02864	2.8
74.09695	3.3
75.24052	2.3
79.05487	46.6
81.03423	4.3
81.07057	61.7
83.08611	25.9
85.06553	4.7
85.10182	18.5
91.05476	52.3
93.07043	50.6
95.04964	6.3
95.08607	59.9
97.06534	5.5
97.10168	8.4
99.08112	4.8
104.07085	2.8
105.07029	72.5
107.08582	26.5
109.10145	21.6
109.67696	2.8
111.08120	2.9
117.06988	17.2
119.08582	53.9
121.10159	22.1
123.11706	10.6
129.07008	6.9
131.08571	22.8
133.10147	43.3
135.11702	18.1
137.13225	3.7
143.08604	7.1
145.10123	25.5
147.11674	49.8
149.13255	11.8
157.10138	13.2
158.33734	2.9
159.11681	18.1
161.13257	32.7
163.11261	6.8
163.14761	3.6
171.11737	14.0
171.59924	2.6
173.13284	16.1
175.14781	16.8
176.22485	2.7
177.05573	5.7
179.14330	6.2
185.13278	9.8
187.14827	4.0
189.12619	3.2
199.14777	4.0
231.21100	7.4
235.16911	3.0
238.11700	2.6
239.23624	4.4
241.19489	37.3
257.24866	4.1
259.20575	95.9
260.21008	3.3
277.21616	8.9
313.27350	100.0
314.27859	5.4
315.23145	6.3
333.24207	49.8
334.24329	3.9
334.57187	2.9
571.46844	8.7
589.48340	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	591.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08451	0.4
55.60720	0.3
55.99740	0.4
60.44923	0.5
61.05942	0.4
69.05859	3.4
70.06598	2.0
71.88963	0.4
72.08169	0.8
77.08685	0.4
84.04526	0.5
86.09695	0.9
86.11166	0.4
98.22617	0.8
105.07050	0.6
105.24551	0.4
111.54453	0.4
120.08173	0.6
141.92921	0.5
159.13773	0.4
161.06084	0.5
167.07028	0.5
175.03680	4.8
185.04247	1.2
201.05472	0.4
202.06053	0.7
217.04710	1.9
219.06265	3.1
232.07059	22.4
233.07571	1.6
252.67972	0.5
267.12015	1.0
337.09070	0.8
338.09692	0.4
347.09430	0.9
351.10471	11.7
359.49319	0.5
363.10526	1.2
365.12094	11.6
365.16464	0.9
366.12466	0.8
381.11737	1.3
429.15268	7.1
430.15488	0.6
556.57361	0.5
560.18378	0.7
561.19196	1.3
591.20410	100.0
592.20807	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	591.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85180	0.4
69.48499	0.9
69.48885	0.8
70.06589	2.4
71.08606	0.4
74.06125	0.4
78.48760	0.4
83.01077	0.5
86.09692	0.8
91.05503	0.7
95.01099	1.9
95.04922	0.5
96.01896	0.6
105.01751	0.3
106.04148	0.6
113.02132	1.5
120.08089	0.4
121.06513	0.4
127.03875	0.5
129.10211	0.5
133.06483	0.5
137.05948	0.8
147.04431	0.4
149.05934	0.7
167.06999	0.5
185.04195	2.5
201.03712	2.9
201.05281	0.4
202.06021	0.7
203.05254	8.8
203.06958	0.8
207.06633	0.7
217.04749	1.4
232.07076	12.0
233.07738	1.8
250.37170	0.4
290.63422	0.4
335.57941	0.5
351.10559	0.4
355.11655	0.4
365.12158	0.8
381.12601	2.9
394.87833	0.6
396.08212	1.5
406.64362	0.4
411.14111	0.4
429.15604	0.6
591.20490	100.0
592.20691	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	591.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
65.48454	0.3
69.03440	0.4
71.31199	0.4
81.07072	0.7
85.02905	0.4
93.07037	0.5
95.08612	0.6
105.07059	0.4
109.10148	0.3
137.05968	0.6
165.04222	0.3
177.05287	0.3
184.58910	0.4
199.56303	0.3
203.06902	0.5
267.30490	0.3
365.10052	0.7
380.12357	1.3
397.00525	0.4
409.17499	0.4
591.21991	100.0
592.22333	10.7
606.19543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.26
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
53.77624	0.3
59.06110	0.4
67.05523	0.4
69.30793	2.0
79.05471	0.4
81.07090	0.5
93.07041	0.4
95.08618	0.5
122.39584	0.2
133.10138	0.3
135.11813	0.3
178.12938	0.3
202.17120	0.2
204.18071	0.2
388.18332	0.5
400.16977	0.4
401.17737	0.9
402.18649	0.7
404.21051	0.4
413.17969	0.6
414.18466	1.2
415.19174	4.8
416.19904	3.0
417.20929	0.9
427.19336	0.5
428.20325	0.5
429.20856	7.5
430.21497	4.9
431.22595	1.7
433.24069	0.9
443.23041	2.5
444.23645	6.0
445.24316	4.5
446.24625	0.7
448.26355	1.0
457.20236	1.1
458.24609	1.4
459.21158	1.8
459.25714	3.4
460.21716	0.4
460.26831	0.5
461.23502	0.4
469.23868	0.3
471.21777	0.7
472.22568	3.8
473.23361	6.2
474.24475	3.4
475.24817	1.1
476.21780	0.6
485.23572	2.0
486.23962	1.0
487.24954	22.1
488.25580	2.9
489.22998	2.2
490.23376	0.6
501.23083	0.5
503.25040	2.2
504.25555	0.6
515.24451	1.0
517.22614	0.7
518.22852	0.8
531.23932	14.8
532.24542	6.0
533.25067	0.7
563.26563	0.5
591.25995	100.0
592.26349	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.05520	16.2
57.03429	13.1
57.07082	37.7
63.72105	2.7
67.05511	55.8
69.07066	16.9
71.08640	28.1
71.36775	2.2
76.51137	2.3
79.05503	34.9
81.07065	67.3
83.04948	3.5
83.08627	13.9
85.10194	12.5
89.06032	2.7
91.05499	18.3
93.07053	47.2
95.05000	3.5
95.08614	62.5
97.06557	4.3
97.10200	7.3
99.08086	5.6
105.07040	14.3
107.08602	28.7
109.06533	2.9
109.10170	24.8
117.06990	4.5
119.08599	10.0
121.10136	22.6
123.11717	13.5
131.08600	12.9
133.10156	10.3
135.11739	15.3
137.13289	5.1
145.10172	9.0
146.08110	2.7
147.11664	5.5
149.09508	2.4
149.13272	11.4
159.11679	9.2
161.13289	9.7
163.14853	6.6
173.13260	11.8
177.16379	5.3
187.14850	5.4
216.28827	2.8
233.22702	5.2
239.23770	4.0
243.21097	18.2
257.24615	2.8
261.22134	62.9
262.22543	4.3
276.71793	2.8
313.27353	100.0
314.27612	5.2
317.24829	13.1
335.25821	63.2
336.25858	4.5
573.48505	17.0
591.49579	7.0
614.43207	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.5
55.05512	19.8
57.03429	14.8
57.07079	51.2
58.07455	2.4
64.00839	2.1
67.05503	63.5
69.07069	20.8
69.17270	4.7
69.17672	15.8
71.08633	30.7
79.05495	54.0
81.07055	71.1
83.08633	20.2
85.06535	4.3
85.10178	16.4
89.06033	2.2
91.05489	29.6
93.07041	59.0
95.04969	3.6
95.08606	65.0
97.06582	2.9
97.10190	7.8
99.08067	4.8
105.07037	16.7
107.08594	36.6
109.10149	30.6
111.08089	2.4
111.11755	2.5
113.09626	3.6
117.07027	9.0
119.08584	11.3
121.10146	27.1
123.08059	2.5
123.11729	8.8
131.08594	14.5
133.10115	8.0
135.11705	22.3
137.13298	4.0
139.59482	2.3
145.10124	10.3
145.22716	2.3
147.11667	9.8
149.13274	15.3
159.11716	8.5
161.13225	12.5
163.14821	13.2
165.16484	2.5
167.14392	2.4
167.34421	2.3
173.13255	11.3
175.14900	4.1
177.16344	4.9
187.14749	5.6
233.22539	4.7
239.23598	3.5
243.21065	23.7
261.22159	56.2
262.22308	3.0
300.34821	2.5
313.23779	5.2
313.27356	100.0
314.27600	5.4
317.24692	9.1
335.25836	64.4
336.25946	5.0
418.50232	2.3
464.67462	2.2
499.44882	3.3
573.48682	16.4
591.48230	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	592.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11942	1.5
51.87384	1.2
53.03952	7.6
55.01875	19.7
55.05540	1.3
57.03444	3.4
61.02930	1.7
63.57508	1.2
65.03950	11.7
67.05509	16.3
67.23544	1.3
67.91024	1.5
69.03429	13.3
69.07076	11.7
69.31232	4.2
69.31641	4.8
70.06590	4.5
71.05000	24.7
72.08157	2.2
73.02908	2.1
79.05495	53.5
81.03436	12.0
81.07057	1.6
84.08132	3.3
85.02914	29.4
85.06589	1.6
86.09695	3.2
91.05484	43.3
93.03420	1.8
93.07062	2.6
95.04982	8.8
97.02905	8.6
97.06535	100.0
98.23354	2.3
99.04454	3.1
101.07101	1.4
103.05463	7.9
105.03376	3.9
105.04538	1.5
105.07040	11.9
107.04964	5.4
109.02849	3.2
109.06520	1.7
115.04663	2.5
115.05463	37.4
115.06763	3.2
115.07566	45.2
116.06232	4.6
117.07037	18.2
119.04951	18.2
119.08566	1.8
120.08108	1.5
121.06505	3.8
123.04449	1.5
127.03934	7.9
127.05385	1.5
128.06227	39.3
129.07025	22.3
129.10240	3.0
130.07796	1.5
131.04922	4.5
131.08568	4.3
132.05731	1.5
133.06496	4.8
135.08054	1.9
137.05966	6.5
141.06993	27.0
142.07745	2.6
143.08537	5.2
144.05698	2.8
145.04948	6.6
145.06479	11.6
147.04398	3.8
149.05957	1.6
152.06180	8.2
153.07014	25.2
154.07788	19.2
155.04971	1.8
155.06055	4.7
155.08578	11.6
157.06537	4.0
159.08038	4.8
161.06038	3.1
165.07014	3.8
167.08563	3.5
169.06456	7.0
169.10139	4.2
171.08110	9.1
173.05981	3.6
173.09645	2.6
175.03920	6.6
178.06310	1.7
178.07806	5.7
179.08563	2.9
181.06516	5.6
182.07239	1.5
183.07976	1.8
185.09654	1.6
187.11198	2.8
193.08527	2.5
194.66942	1.6
197.09612	31.3
205.04869	1.6
207.06548	15.2
215.10690	58.8
216.11006	2.7
231.32466	1.3
233.11862	2.5
239.10638	1.9
356.63495	1.5
359.14828	7.3
461.65897	1.4
592.20172	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	592.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01669	1.7
51.02377	3.2
53.03952	17.6
55.01877	11.8
57.03448	8.8
61.02932	11.3
65.03951	8.3
65.04232	1.8
67.05500	13.5
68.87868	1.5
69.03430	31.2
70.06585	6.4
71.04995	28.0
71.75230	1.5
73.02925	8.2
74.76306	1.5
79.05495	25.4
80.05838	2.0
81.03419	27.9
81.07055	4.0
83.01367	2.0
83.04994	2.7
85.02910	64.3
86.09703	2.1
87.04462	6.9
91.03952	2.9
91.05484	54.6
93.03403	3.8
93.07034	6.7
95.04994	12.2
95.08665	1.9
97.02901	21.2
97.06536	6.5
98.22620	4.0
99.04442	3.6
103.05460	18.3
105.03383	3.8
105.04535	2.7
105.07031	17.2
107.04961	7.6
107.08588	3.1
109.02891	15.3
109.06540	2.9
115.05463	57.3
115.07581	1.7
116.06250	5.8
117.07030	24.6
119.04955	6.3
119.08588	3.0
120.06591	2.0
121.06494	4.9
123.08035	4.1
124.69745	1.8
127.03925	10.7
127.05409	7.7
127.07523	4.1
128.06226	100.0
129.07021	58.3
131.04945	8.9
131.08557	10.5
133.06512	6.6
135.08070	1.6
141.06992	58.1
142.07794	7.7
143.08575	14.9
144.05731	3.6
145.05031	11.4
145.06470	24.4
145.10155	2.8
147.04382	2.4
147.08026	2.4
149.05994	2.1
151.07591	2.1
152.06201	14.4
153.07004	48.6
154.07785	37.9
155.04852	4.8
155.06056	11.3
155.08557	30.4
156.08893	1.6
157.06490	4.3
157.10092	1.9
158.07178	2.0
159.08012	3.7
163.06061	3.0
163.07495	1.7
165.07001	6.6
167.08572	7.5
169.06491	19.4
169.10139	10.0
171.08055	21.2
172.08771	2.1
173.05981	3.1
173.09596	2.2
178.07797	9.5
179.08539	8.0
181.06482	4.6
182.07245	4.8
183.08075	1.7
185.09442	2.4
187.07614	2.8
187.11214	4.8
197.09619	69.9
198.09982	4.0
215.10686	93.8
216.11195	3.8
233.11702	9.9
332.85831	1.7
377.15924	6.3
576.96759	1.7
593.17761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.21712	0.4
70.35162	0.7
87.76365	0.4
157.25659	0.4
225.41757	0.5
262.92587	0.4
289.64169	0.4
387.16248	0.7
388.16714	0.7
389.17691	1.6
390.18484	0.6
402.18292	1.1
403.19305	3.0
404.19937	1.4
405.20911	2.4
415.19385	0.9
417.16531	1.4
417.21524	4.5
418.21988	2.3
419.22379	5.4
420.22665	0.5
430.17776	1.4
431.18304	10.7
431.23660	0.8
432.18787	3.8
432.65289	0.4
433.24173	7.8
434.17065	0.5
434.24316	2.6
445.19879	11.8
446.20865	7.3
447.21606	6.5
448.22177	0.7
449.23569	0.6
458.21024	0.6
459.21594	3.3
460.22589	14.1
461.23239	12.3
462.24319	1.1
473.23605	2.5
474.24030	0.9
477.22729	0.8
487.25369	0.9
488.25940	0.6
489.26382	0.8
491.24710	0.6
492.25259	1.6
505.22040	8.0
506.22769	1.0
518.23248	0.5
519.23895	1.4
520.24316	0.5
529.07452	0.5
533.25500	28.9
534.25653	3.5
561.25671	0.5
564.24158	0.9
565.27972	0.7
593.27563	100.0
594.27826	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37168	0.3
68.47897	0.3
69.30308	1.0
69.30718	0.6
93.25555	0.2
98.22511	0.5
171.47789	0.2
189.77475	0.2
209.10667	0.3
221.10712	0.3
225.13667	0.3
237.13680	0.3
311.13983	0.3
321.02292	0.2
342.37738	0.2
365.35159	0.3
376.16922	0.3
387.16064	0.6
388.16656	0.7
389.17657	1.6
390.18604	0.6
401.17609	0.6
402.18408	1.1
403.19196	3.4
404.19901	1.7
405.20822	2.5
406.21384	0.3
415.19315	0.6
416.15384	0.4
416.20026	0.9
417.16974	1.2
417.21399	5.0
418.21796	2.1
419.22348	4.0
420.22714	0.5
429.21365	0.5
430.17178	1.7
431.18130	9.6
432.18433	2.6
432.23801	1.0
433.24084	9.0
434.24640	2.3
444.19440	0.8
445.19904	11.1
446.20676	5.9
447.21582	5.8
448.22043	1.0
449.23312	0.5
457.20337	0.3
458.21045	0.4
459.21533	4.1
460.22556	15.2
461.23203	14.5
462.24310	1.4
463.21484	0.4
473.23645	2.6
474.23898	1.0
475.21402	0.4
476.25681	1.3
477.22543	0.9
477.27869	0.4
487.24854	1.1
488.25568	0.5
489.26135	0.9
491.25223	1.5
492.25391	1.5
504.25562	0.5
505.21933	5.3
506.22745	0.7
515.24908	0.6
517.21588	0.3
517.66437	0.3
518.22687	1.1
519.23956	0.9
533.25488	47.2
534.25824	6.3
547.27222	0.6
550.25537	0.3
564.23425	0.6
565.28644	1.2
575.26770	0.8
593.27582	100.0
594.27887	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	593.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45494	1.4
66.74493	1.4
67.05511	3.3
69.07072	2.0
69.27283	4.0
69.27692	7.9
71.04996	2.2
75.74429	1.4
79.05483	3.6
81.03406	1.5
81.07056	3.7
83.05026	1.6
83.71116	1.6
85.02895	3.2
88.01991	1.4
91.05522	1.4
91.34170	1.7
92.17776	1.4
93.07069	3.8
95.01065	1.7
95.04936	1.6
95.08637	3.6
98.22662	2.5
105.07052	2.2
107.08617	3.2
109.06543	1.7
109.10207	1.9
121.06516	2.2
121.10147	1.9
127.04008	2.0
133.10147	2.4
145.10149	2.5
159.11772	2.3
194.42621	2.0
227.05455	2.6
243.04794	2.9
271.04172	2.1
287.03641	4.1
289.05258	8.4
327.22882	3.5
345.23395	1.9
461.24573	2.1
505.24100	20.1
513.28082	8.0
531.29303	20.0
549.30530	9.1
550.30737	2.0
557.27228	37.1
558.27557	5.2
575.28235	100.0
576.28607	12.2
593.29419	36.5
594.29401	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	594.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
54.10626	0.8
55.01875	21.6
55.05510	0.9
57.03439	3.9
57.61523	0.7
61.02927	3.8
68.99792	7.8
69.03434	20.2
69.23804	5.6
69.24108	0.5
70.06586	1.0
71.01343	1.8
71.04997	15.2
73.02913	4.3
77.02395	1.0
79.05501	0.8
80.28386	0.8
81.03424	22.1
83.01347	16.4
83.04975	0.6
85.02909	31.5
85.03432	1.6
85.06500	0.7
87.00829	18.8
87.04471	4.7
89.02404	0.7
91.03976	1.3
91.05470	1.5
91.09727	0.6
91.68140	0.7
93.07070	1.0
95.01338	0.8
95.04963	1.4
95.08617	0.9
97.02276	1.0
97.02897	13.9
99.04462	7.7
101.02372	5.0
103.05436	1.0
105.01873	6.4
105.07038	8.5
107.04956	1.1
109.02882	30.5
110.03163	0.7
111.00809	27.8
113.02366	1.0
115.03947	7.9
117.01794	0.7
119.03466	1.6
119.04951	2.0
121.02845	0.7
121.06467	0.8
125.02379	0.7
127.03920	37.2
129.01840	15.0
131.08612	0.8
139.00240	0.8
141.01859	4.3
143.03398	17.0
145.04971	10.2
147.02884	4.4
153.01846	4.7
156.34332	0.7
157.01344	5.1
159.02890	6.1
161.04474	3.5
163.02611	0.7
163.03914	3.5
167.06949	1.2
171.02890	30.9
172.03189	1.1
181.04944	1.7
189.03957	9.5
195.02945	1.9
201.03970	1.2
207.04849	0.7
213.03900	6.0
231.04990	8.5
234.26462	0.8
249.06081	3.0
257.02936	23.4
258.03363	1.6
271.06012	100.0
275.03967	34.8
276.04343	0.9
279.05072	1.3
287.05536	4.1
293.05029	2.4
297.06091	1.3
317.04990	4.5
347.05981	2.9
383.06097	9.1
401.07150	28.8
402.07446	2.1
419.08212	47.6
420.08463	2.3
433.11008	2.2
437.09161	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	594.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	1.2
55.05506	0.7
56.05019	0.3
57.03430	0.8
59.64394	0.3
60.62063	0.3
61.02917	1.0
61.19622	0.3
65.03934	1.1
67.01872	0.5
67.05492	1.5
68.99824	0.3
69.03418	3.0
69.07064	0.5
69.17411	1.1
69.17825	0.9
70.06588	1.0
71.04994	5.3
72.08131	0.6
73.02922	0.3
73.06581	0.3
75.70682	0.2
78.78776	0.3
79.05059	0.5
79.05493	5.7
81.03412	1.5
81.07045	0.8
83.04973	2.0
85.02905	10.7
86.09694	0.7
87.04453	0.5
91.03945	0.4
91.05482	7.0
93.03397	1.1
93.07053	1.8
95.04969	6.8
95.08582	0.4
97.02895	2.3
97.06532	1.3
99.04446	0.7
103.05487	1.5
105.03401	0.3
105.04523	0.6
105.07041	3.6
107.04952	3.6
107.08570	0.7
109.02878	4.8
109.06525	0.6
110.07172	1.0
115.05452	3.3
116.06218	0.4
117.07005	4.1
119.04928	2.4
119.08579	1.0
121.02856	0.5
121.06525	0.9
123.04446	0.4
127.03913	2.1
127.05587	0.3
128.06226	4.6
129.06123	0.5
129.07010	7.4
130.07376	0.4
131.04939	1.0
131.08568	1.8
133.06503	1.9
133.10161	0.4
135.08055	1.1
136.07559	0.5
137.05957	0.8
141.06999	3.1
142.07785	2.7
143.08563	2.3
145.02776	0.5
145.04982	2.5
145.06468	2.0
145.10178	0.8
147.04408	0.4
147.08073	1.6
147.11725	0.4
149.05988	0.6
153.01836	3.1
153.06995	1.4
155.06012	0.5
155.08543	2.0
156.09344	1.6
157.06482	0.9
157.10126	2.2
158.07257	1.1
159.08035	1.2
161.06017	0.9
163.06038	1.4
163.07439	0.7
165.07051	2.1
166.07745	1.3
167.07063	1.8
167.08293	0.4
169.06447	0.4
171.02968	0.4
171.08055	3.3
171.11647	0.5
173.09676	1.9
174.10423	0.4
175.07547	1.0
175.11211	0.5
177.05489	0.7
181.04970	4.1
181.10115	0.7
184.08795	0.8
187.11066	0.3
189.12810	0.4
193.08575	0.8
199.11188	6.1
217.12248	6.0
221.08127	0.6
225.05524	0.4
233.08112	0.7
235.13283	2.4
271.06003	100.0
309.07507	0.4
361.12332	0.3
403.13892	1.0
415.13974	2.1
433.11191	6.4
480.32132	0.4
594.20526	0.4
595.19208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	1.2
55.05506	0.7
56.05019	0.3
57.03430	0.8
59.64394	0.3
60.62063	0.3
61.02917	1.0
61.19622	0.3
65.03934	1.1
67.01872	0.5
67.05492	1.5
68.99824	0.3
69.03418	3.0
69.07064	0.5
69.17411	1.1
69.17825	0.9
70.06588	1.0
71.04994	5.3
72.08131	0.6
73.02922	0.3
73.06581	0.3
75.70682	0.2
78.78776	0.3
79.05059	0.5
79.05493	5.7
81.03412	1.5
81.07045	0.8
83.04973	2.0
85.02905	10.7
86.09694	0.7
87.04453	0.5
91.03945	0.4
91.05482	7.0
93.03397	1.1
93.07053	1.8
95.04969	6.8
95.08582	0.4
97.02895	2.3
97.06532	1.3
99.04446	0.7
103.05487	1.5
105.03401	0.3
105.04523	0.6
105.07041	3.6
107.04952	3.6
107.08570	0.7
109.02878	4.8
109.06525	0.6
110.07172	1.0
115.05452	3.3
116.06218	0.4
117.07005	4.1
119.04928	2.4
119.08579	1.0
121.02856	0.5
121.06525	0.9
123.04446	0.4
127.03913	2.1
127.05587	0.3
128.06226	4.6
129.06123	0.5
129.07010	7.4
130.07376	0.4
131.04939	1.0
131.08568	1.8
133.06503	1.9
133.10161	0.4
135.08055	1.1
136.07559	0.5
137.05957	0.8
141.06999	3.1
142.07785	2.7
143.08563	2.3
145.02776	0.5
145.04982	2.5
145.06468	2.0
145.10178	0.8
147.04408	0.4
147.08073	1.6
147.11725	0.4
149.05988	0.6
153.01836	3.1
153.06995	1.4
155.06012	0.5
155.08543	2.0
156.09344	1.6
157.06482	0.9
157.10126	2.2
158.07257	1.1
159.08035	1.2
161.06017	0.9
163.06038	1.4
163.07439	0.7
165.07051	2.1
166.07745	1.3
167.07063	1.8
167.08293	0.4
169.06447	0.4
171.02968	0.4
171.08055	3.3
171.11647	0.5
173.09676	1.9
174.10423	0.4
175.07547	1.0
175.11211	0.5
177.05489	0.7
181.04970	4.1
181.10115	0.7
184.08795	0.8
187.11066	0.3
189.12810	0.4
193.08575	0.8
199.11188	6.1
217.12248	6.0
221.08127	0.6
225.05524	0.4
233.08112	0.7
235.13283	2.4
271.06003	100.0
309.07507	0.4
361.12332	0.3
403.13892	1.0
415.13974	2.1
433.11191	6.4
480.32132	0.4
594.20526	0.4
595.19208	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Pelargonin
Peak:m/z	Relative Intensity
50.17244	0.1
51.56872	0.1
55.05503	0.1
60.31952	0.1
61.39561	0.1
65.03951	0.2
67.01855	0.4
67.05495	0.1
68.99812	0.3
69.03423	0.4
70.06583	0.4
71.04980	0.1
71.31078	0.1
71.86514	0.1
79.05499	0.1
80.32790	0.1
81.03422	0.2
81.07061	0.2
85.02915	0.7
86.09707	0.2
87.22169	0.1
91.05481	0.8
93.07046	0.2
95.04977	0.2
95.08615	0.2
95.17717	0.1
97.02906	0.2
105.07037	0.3
107.04979	0.2
107.08580	0.2
109.02844	0.2
111.04396	0.1
119.04946	2.0
121.02892	0.6
121.10152	0.1
125.75027	0.1
127.03905	0.2
129.01840	0.2
133.10156	0.1
135.04440	0.1
137.05975	0.1
144.44022	0.1
145.02861	0.7
145.04948	0.2
153.01831	4.7
154.02118	0.1
161.05965	0.1
163.03920	0.6
167.06989	0.5
171.02942	0.6
172.56848	0.1
173.05965	0.1
177.05537	0.1
181.04924	0.6
187.03856	0.1
197.05984	0.1
203.07048	0.2
219.17445	0.2
225.05505	0.3
229.04979	0.2
243.06500	0.4
247.05937	0.2
271.06012	100.0
272.06372	4.8
272.08832	0.1
287.05493	5.9
288.05865	0.4
403.13678	0.2
415.14127	0.1
416.14438	0.2
433.11136	0.7
449.10886	0.1
456.42752	0.1
543.85602	0.1
595.21637	0.2
599.50372	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.2
61.02929	0.2
65.03925	0.2
67.01859	0.3
67.05510	0.2
69.03413	0.6
70.06586	0.3
70.27616	0.4
71.05003	0.4
72.08141	0.2
73.02894	0.1
79.05486	0.5
81.03403	0.1
81.07054	0.1
85.02913	1.4
90.31328	0.1
91.05470	0.9
95.04980	0.6
97.02883	0.5
97.06557	0.2
98.22695	0.2
103.05450	0.1
105.07033	0.2
107.04940	0.5
109.02856	0.4
110.07158	0.2
115.05431	0.3
116.05827	0.1
117.07011	0.4
119.04951	1.2
121.02845	0.3
121.06521	0.1
121.65730	0.1
127.03921	0.3
128.06197	0.2
129.07053	0.3
131.08562	0.2
141.06958	0.3
142.07634	0.2
143.08546	0.1
145.02835	0.6
145.04941	0.2
145.06493	0.2
153.01820	3.2
163.03902	0.3
167.07057	0.7
171.02888	0.3
171.08069	0.2
173.05959	0.2
173.52759	0.1
179.07137	0.1
181.04945	1.1
199.11177	0.3
207.06509	0.2
217.12376	0.2
221.08121	0.2
229.05058	0.2
233.08038	0.4
243.06520	0.2
251.17719	0.2
271.06006	100.0
272.03406	0.2
272.06366	5.2
283.05972	0.2
287.05487	0.1
313.07074	0.2
403.13864	0.3
415.13849	0.5
433.11258	5.3
434.11740	0.3
595.20203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05475	0.1
57.03437	0.5
61.02918	0.1
67.01853	0.4
68.99768	0.4
69.03412	0.1
70.06563	0.1
70.44776	0.1
71.04989	3.2
73.02875	0.1
75.04456	0.1
79.05459	0.1
81.03352	0.1
81.07016	0.1
83.04948	0.2
85.02898	4.0
86.03218	0.1
87.04448	0.1
89.03899	0.1
91.05464	0.1
95.04879	0.1
97.02877	0.1
105.06975	0.1
107.04936	0.1
107.08572	0.1
111.00737	0.1
111.04395	0.2
117.03359	0.1
129.01779	0.1
129.05476	0.9
135.04398	1.5
137.02330	0.6
147.04350	0.1
147.06448	0.1
147.11629	0.1
149.09691	0.1
149.43028	0.1
153.01816	4.5
154.02103	0.2
161.02324	0.5
161.04385	0.1
167.04933	0.1
171.02921	0.4
171.04108	0.1
172.69566	0.1
179.03397	0.4
193.12169	0.1
203.03386	0.1
213.05434	0.1
219.06432	0.1
241.04901	0.6
245.04427	0.2
259.05972	0.1
263.05362	0.1
269.04425	0.4
270.04993	0.1
271.05936	0.3
286.04526	0.1
287.05463	100.0
288.05801	5.2
329.06448	0.1
356.39853	0.1
449.10751	10.7
450.10995	0.8
465.40784	0.1
595.16803	0.1
599.09155	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	595.1655
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
50.42848	0.1
57.03453	0.1
63.70501	0.1
65.32829	0.1
65.85896	0.1
67.01870	0.7
68.99804	0.4
70.65478	0.3
71.04987	0.7
79.05502	0.1
81.03445	0.1
83.04956	0.1
85.02911	1.1
89.03883	0.2
92.33326	0.1
100.77861	0.1
105.07055	0.1
107.04984	0.1
111.00809	0.1
111.04456	0.1
111.64407	0.1
117.03371	0.3
129.01781	0.1
129.05423	0.2
135.04427	1.9
137.02336	0.6
153.01820	5.5
154.02158	0.1
161.02301	0.8
171.02887	0.5
179.03452	0.3
199.03972	0.1
203.03355	0.1
213.05463	0.2
225.61943	0.1
241.04886	0.6
254.54765	0.1
263.05493	0.1
269.04468	0.5
271.05981	2.2
272.06183	0.1
287.05472	100.0
288.05801	5.4
363.47104	0.1
433.11276	0.2
449.10767	0.5
589.96533	0.1
595.16595	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	595.1655
Annotation	6,8-Di-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
53.12401	1.0
55.01880	2.6
57.03433	2.8
65.03944	1.2
68.99815	1.1
70.91080	2.4
73.02926	2.3
73.07070	1.2
77.56036	1.1
81.03431	2.4
85.02910	5.9
91.05507	2.3
93.03432	2.7
103.03951	1.5
105.03414	1.3
107.04965	2.7
109.02898	4.0
119.04916	10.2
121.02863	35.6
122.03252	1.6
127.03946	1.7
131.04948	1.3
133.06459	1.7
143.86288	1.0
145.02779	6.8
147.04346	1.4
159.04434	1.8
161.02353	1.6
163.03925	2.9
165.01865	2.0
173.02434	1.6
175.03885	1.7
176.01057	1.7
177.01808	6.1
177.05446	1.2
179.03407	4.2
181.04939	2.6
187.03935	4.1
189.01833	12.5
191.03419	7.6
195.02888	7.1
199.03900	1.9
201.01886	1.9
201.05551	2.3
203.03416	12.1
207.02882	7.2
211.03917	1.6
215.03467	3.4
217.04915	6.0
219.02785	6.8
221.04411	1.7
225.03819	1.5
227.03418	2.0
229.04985	4.8
233.04427	4.3
239.03448	1.4
243.02957	2.4
251.06927	1.8
253.04958	2.2
254.05542	1.1
255.02875	3.0
257.04486	2.4
267.06552	3.2
268.07190	6.0
271.06024	4.3
279.06491	6.0
280.07187	3.4
281.04718	1.7
281.08142	5.0
283.05930	6.7
284.06802	2.6
285.03915	4.3
291.06500	2.2
292.07236	2.0
293.08038	4.7
294.05234	21.5
294.08472	2.7
295.06012	84.7
296.06540	10.4
297.07465	10.7
298.08084	1.4
305.08047	2.0
307.06006	52.0
308.06665	20.1
309.04169	1.5
309.07492	14.8
309.10837	2.0
310.08353	1.4
313.06967	5.6
317.08090	2.0
318.08698	1.5
319.06006	6.9
319.09412	1.7
320.06757	4.8
321.07544	29.7
322.08231	13.8
323.05844	2.7
323.09131	5.2
325.07059	100.0
326.07449	6.9
329.07990	1.4
333.07492	10.9
334.07782	1.8
335.05481	2.9
335.09149	15.9
336.06140	3.6
336.09601	2.8
337.07040	64.0
338.07462	5.2
339.08551	2.7
345.07645	3.7
346.08426	2.5
347.09088	12.3
348.09473	1.9
349.07056	30.6
350.07458	3.9
351.08633	22.1
352.09027	2.1
353.06281	1.6
355.08105	24.1
356.08530	1.8
357.07416	2.4
361.07010	19.3
361.10934	2.7
362.07504	2.2
363.08554	6.3
365.10245	12.3
367.08057	4.7
373.07083	7.0
374.07880	2.2
375.04608	1.2
375.08713	12.8
377.06210	1.4
379.08096	59.2
380.08444	5.3
385.07001	2.7
387.08606	1.6
389.10181	3.7
391.08112	31.1
392.08463	2.3
401.10498	3.6
403.08105	23.7
404.08331	1.7
409.09167	47.3
410.09421	4.1
413.10397	1.7
415.08163	3.1
417.09842	2.2
421.09195	27.2
422.09436	2.4
427.10257	46.1
428.10413	3.5
431.11636	2.2
433.09213	4.2
439.10269	32.0
440.10434	1.6
445.10236	8.2
457.11310	94.8
458.11429	7.8
463.10037	8.5
469.09055	1.7
475.12207	16.9
481.11298	33.8
482.11194	2.2
487.10022	4.4
493.11206	3.5
499.12332	23.6
500.12634	2.7
505.11505	8.0
511.05231	2.0
511.12286	23.0
512.12317	2.9
523.12335	26.4
524.12494	2.4
529.13599	7.7
541.13397	29.9
542.13715	3.4
559.14398	23.7
560.14600	1.9
577.15259	7.1
578.15552	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Pelargonin
Peak:m/z	Relative Intensity
53.03939	0.1
66.85432	0.1
67.01840	0.3
68.99480	0.1
68.99799	0.2
69.03419	0.2
69.71088	0.2
70.06564	0.1
71.04974	0.1
72.08162	0.5
79.05431	0.1
81.03410	0.1
84.04481	0.1
84.08126	0.1
85.02895	0.4
86.09715	0.1
91.05460	0.2
107.04926	0.3
109.02860	0.1
119.04955	1.4
120.08084	0.2
121.02846	0.4
129.33527	0.1
137.05995	0.1
140.07048	0.1
145.02824	0.4
153.01825	3.2
157.67622	0.1
161.05988	0.1
163.03879	0.3
166.08650	0.1
167.06996	0.3
171.02917	0.4
171.14864	0.1
177.05437	0.1
181.04903	0.6
199.14412	0.1
203.07083	0.1
207.06644	0.1
209.65518	0.1
225.05392	0.3
229.04887	0.1
233.08000	0.2
243.06314	0.2
247.05704	0.1
253.04739	0.1
271.06000	100.0
272.06345	5.0
287.05527	0.2
295.06015	0.1
360.32083	0.1
379.08145	0.1
403.13876	0.1
415.13910	0.3
433.11288	18.3
433.62018	0.1
434.11621	1.4
532.75964	0.1
595.16290	1.0
596.17651	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	595.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03953	2.4
55.01878	3.1
63.76441	0.9
65.03941	7.3
66.02228	0.9
67.05508	3.5
69.03427	2.3
71.31689	1.7
78.04709	3.9
79.05479	7.6
81.03419	2.1
81.07096	1.0
82.04203	1.8
85.02918	3.5
89.03908	1.6
91.05485	22.3
92.06311	1.9
93.03398	1.3
93.07048	1.5
95.04965	4.8
97.02911	1.2
103.05466	5.5
103.24840	1.0
105.03407	1.6
105.07045	3.9
106.04165	2.0
106.29453	1.0
107.04962	23.7
109.02847	1.1
110.03661	3.0
111.04467	2.8
113.21507	0.9
115.05457	8.1
116.06236	1.2
117.07027	6.1
119.04961	9.8
120.05753	5.7
121.06494	5.7
123.04446	4.1
124.05234	2.4
125.05991	3.7
128.06194	1.4
129.06999	2.0
130.04137	1.0
130.81108	0.8
131.04938	5.8
131.08595	1.3
133.02890	4.7
133.06497	6.6
134.03645	1.2
135.04419	6.3
136.05157	1.8
137.05980	11.2
138.03181	1.8
139.03897	1.6
142.02655	3.3
143.04971	2.3
145.06528	9.9
147.04411	8.0
147.08070	3.2
148.05199	6.0
149.06012	4.7
151.03923	3.9
151.07533	6.8
153.05524	2.8
154.06288	1.5
155.06017	3.0
157.06529	1.8
158.07298	1.3
159.04445	2.0
159.08139	2.2
160.05234	2.2
161.05975	8.3
163.03917	4.9
163.07524	1.5
164.04689	1.3
165.05493	21.3
167.07050	74.0
168.07515	2.2
171.06573	3.8
173.05945	7.4
175.03928	1.4
175.07571	4.6
176.04686	1.4
177.05501	5.5
177.09019	1.9
179.07069	4.8
179.08472	1.3
180.07846	1.8
181.04967	100.0
182.05374	2.2
182.07208	0.9
184.09377	1.3
185.06044	1.7
187.07524	1.3
189.05379	2.1
189.09142	2.6
191.07043	3.8
193.08620	1.2
201.05435	2.4
203.07074	2.4
205.04953	2.6
205.08554	7.6
206.09116	1.2
207.06638	1.6
209.07997	1.9
217.08592	1.6
219.06390	2.0
220.07280	9.2
221.08081	3.2
223.07373	1.2
226.08473	1.3
233.08084	3.3
234.08835	1.6
235.09642	8.3
241.08636	1.3
257.08200	1.0
263.06897	1.5
265.08621	2.1
266.09222	1.4
268.07498	1.2
271.09665	2.2
276.07932	1.3
277.08682	1.9
287.05582	8.6
291.10242	2.3
293.08130	2.0
297.08020	1.1
307.09741	2.4
323.12692	1.2
337.10590	4.2
341.13828	1.5
343.11923	2.3
355.11777	6.0
357.13223	1.6
359.11237	4.4
367.11707	2.7
368.12485	1.3
369.13538	2.2
373.12997	2.2
385.08276	1.6
385.12860	21.7
386.13281	2.6
387.14444	2.9
398.13678	9.5
399.14328	1.9
401.12216	2.4
413.15811	1.4
415.13904	8.3
416.14664	68.9
417.15256	12.1
430.12613	5.8
565.20599	2.8
595.21777	17.9
596.21826	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97794	0.5
51.02377	0.7
53.03951	2.5
53.04150	0.6
53.78037	0.5
55.01882	2.9
55.05514	1.0
55.13011	0.6
56.32055	0.5
60.04508	0.7
65.03943	5.2
66.04728	1.2
67.05506	3.0
68.99764	0.6
69.03417	2.4
69.07063	0.8
71.04968	0.8
71.31422	0.8
75.04483	0.6
77.03915	1.1
78.04701	3.6
79.05056	0.9
79.05492	8.3
80.13858	0.5
81.03423	4.3
81.07047	3.3
82.04200	1.1
83.04963	0.9
85.02900	3.8
85.32795	0.6
89.03912	2.8
91.05479	21.5
92.06276	1.1
93.03419	1.6
93.07050	3.0
94.04184	1.8
95.01313	1.1
95.04972	4.7
95.08601	2.2
96.05729	0.6
97.02885	1.9
97.06518	1.3
99.04428	1.0
103.05472	6.0
105.03381	1.8
105.04496	1.4
105.07032	6.8
106.04191	3.3
107.04956	20.3
107.08588	1.9
108.05804	0.6
109.02876	1.6
109.06511	1.7
109.10191	1.2
110.03642	2.3
111.04449	2.6
112.95049	0.5
115.05468	8.2
117.03377	1.7
117.07017	5.5
118.04163	1.7
119.04939	7.1
119.08607	2.2
120.05708	1.6
121.02876	3.0
121.06508	4.9
121.10098	0.7
122.03653	1.7
123.04433	8.9
123.08041	1.8
123.11671	0.7
124.05241	2.5
125.05978	3.9
125.09583	0.6
127.03925	1.2
127.05466	0.7
128.06224	1.4
129.07018	1.9
131.04947	6.0
131.08560	1.8
132.02080	0.6
132.05702	0.7
132.26157	0.5
133.02850	3.6
133.06485	6.4
133.10100	1.2
134.03641	2.6
135.04411	7.0
135.08041	0.9
135.11699	1.1
136.05214	3.6
137.02339	0.6
137.05980	7.1
138.03127	1.2
139.03856	1.0
139.07489	1.1
140.10670	0.8
141.06947	1.2
142.02621	1.0
143.04919	1.8
144.05745	1.5
145.06499	6.5
145.10115	1.7
146.03641	0.6
147.04416	5.3
147.08023	2.3
148.05182	4.7
149.02391	0.8
149.05978	4.7
150.03133	1.1
150.06683	0.6
151.03932	4.4
151.07536	11.9
152.04665	2.5
153.01871	1.2
153.05516	4.3
153.06633	0.8
154.06189	1.1
155.06029	1.4
155.07088	1.3
157.06488	1.5
157.10115	0.8
158.07288	1.2
159.04419	2.2
159.08102	1.4
159.11691	0.8
160.05209	1.6
161.05978	6.7
161.13243	0.6
162.06731	0.8
163.03908	13.4
163.07555	2.3
164.04649	1.7
165.05487	11.9
165.06848	1.2
165.09079	0.6
166.06230	0.5
167.07040	100.0
168.06044	0.6
168.07370	2.9
171.04411	0.9
171.06592	1.4
173.05966	6.1
173.13269	0.8
174.06709	1.2
175.03865	0.8
175.07544	3.7
177.05460	4.5
177.09126	1.9
178.06212	0.9
179.03467	0.6
179.07048	6.7
179.08521	1.1
180.07739	1.2
181.04956	50.8
182.05389	1.7
185.05966	0.8
185.13249	0.6
186.06732	1.0
187.07533	1.5
188.04747	0.8
188.08336	0.9
189.05484	2.2
189.09091	2.5
190.06204	0.9
191.07027	7.7
193.04996	1.1
193.08592	2.2
195.06485	3.3
199.07547	0.7
201.05511	1.8
201.09059	0.6
202.06116	0.6
203.06966	3.1
205.04895	1.0
205.08565	5.6
207.06509	0.8
207.10115	0.6
208.07361	1.2
209.06071	0.6
210.06813	1.4
211.07559	1.8
212.08282	0.8
213.05440	1.2
217.08630	2.0
219.06425	1.2
219.08237	1.0
219.10019	0.6
220.07198	2.6
221.06082	0.9
221.08092	1.9
224.04694	0.6
225.09189	1.5
227.06970	1.3
229.08511	1.2
233.06050	0.8
233.08017	3.1
234.08870	1.0
235.07559	0.7
235.09612	5.0
237.09145	1.2
239.07057	1.4
240.07690	0.8
241.08510	1.5
242.09296	0.6
248.08313	1.2
249.09103	1.7
251.07047	0.8
251.10707	1.0
253.08614	1.5
255.10178	0.7
256.07498	0.6
257.08170	0.7
257.11746	0.7
257.19049	0.8
263.07028	0.6
264.07806	0.8
265.08582	1.5
266.09329	0.7
267.10101	1.0
269.08029	0.7
270.08838	0.8
271.06076	3.6
271.09659	1.6
276.07782	1.2
277.08688	0.8
279.06750	0.5
279.10275	1.1
281.08051	0.6
285.11243	2.1
286.11853	1.1
287.05490	16.8
287.08725	1.2
288.05734	1.3
291.10172	1.9
292.10855	1.1
293.08142	1.0
295.09625	0.8
297.11096	0.8
307.09726	1.2
308.10419	1.1
311.12723	0.7
317.10312	0.8
317.13910	2.1
319.09805	0.9
323.12720	1.0
325.10812	1.0
335.09317	0.7
337.10828	1.3
339.12231	2.2
341.13843	0.8
345.13364	1.3
351.12323	0.8
352.13126	0.6
353.10104	0.8
355.11728	1.5
357.13428	1.7
359.11279	8.9
367.11911	0.8
368.12317	0.6
369.13239	1.5
371.14883	2.1
373.12909	1.3
383.14899	2.3
385.12805	13.3
386.13443	1.1
387.14413	1.0
397.12671	0.7
398.13629	4.1
399.14404	1.7
401.11551	0.8
401.16174	1.1
411.14249	3.9
413.16046	1.5
415.13696	3.7
416.14648	32.1
417.15210	5.1
430.12515	1.5
433.21985	0.8
540.39032	0.9
541.38379	0.7
559.40631	0.7
565.20764	7.0
566.20923	1.0
595.21661	46.6
596.22272	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	595.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81009	0.6
56.06890	0.7
61.86721	0.6
65.63627	0.7
68.87222	0.7
71.30424	1.2
80.08948	0.7
82.62055	0.7
88.41620	0.7
91.05454	0.7
115.05511	1.2
118.06543	16.6
130.06537	2.6
132.08089	5.2
142.06555	1.5
143.07303	2.0
144.08093	12.5
146.06013	61.4
147.06331	1.6
159.09218	5.9
167.07068	0.9
170.05963	3.6
177.31380	0.7
181.04936	0.7
188.07076	100.0
189.07457	4.2
205.09732	41.5
206.10065	0.9
376.70636	0.8
407.37387	0.8
451.45551	0.8
595.19446	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03185	8.2
51.08377	7.9
52.28228	8.2
55.05517	9.8
56.59051	8.1
69.02077	82.1
69.03429	19.3
69.07075	19.2
79.05486	22.5
80.57397	8.8
81.07060	40.4
85.02891	19.6
91.05480	24.7
94.36982	8.7
95.08609	32.6
97.02877	22.3
105.07042	18.0
107.04951	19.9
107.08598	12.8
109.10175	14.9
119.08611	22.2
121.10185	18.6
127.03948	10.6
133.10126	12.0
137.05981	18.4
145.10143	14.6
151.07565	11.6
151.14865	9.5
165.05428	10.8
167.07024	100.0
179.06992	14.7
181.04987	37.1
187.14856	23.9
271.06113	20.3
276.27542	11.0
287.05432	60.0
326.26840	9.9
416.14935	13.6
595.21600	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	595.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03185	8.2
51.08377	7.9
52.28228	8.2
55.05517	9.8
56.59051	8.1
69.02077	82.1
69.03429	19.3
69.07075	19.2
79.05486	22.5
80.57397	8.8
81.07060	40.4
85.02891	19.6
91.05480	24.7
94.36982	8.7
95.08609	32.6
97.02877	22.3
105.07042	18.0
107.04951	19.9
107.08598	12.8
109.10175	14.9
119.08611	22.2
121.10185	18.6
127.03948	10.6
133.10126	12.0
137.05981	18.4
145.10143	14.6
151.07565	11.6
151.14865	9.5
165.05428	10.8
167.07024	100.0
179.06992	14.7
181.04987	37.1
187.14856	23.9
271.06113	20.3
276.27542	11.0
287.05432	60.0
326.26840	9.9
416.14935	13.6
595.21600	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	596.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29005	1.0
53.03939	2.4
55.01862	7.8
57.03438	12.4
58.37894	1.0
61.02926	10.8
61.74093	1.0
68.39671	1.0
69.03429	29.5
69.14164	9.1
71.01348	2.7
71.04996	2.8
73.02505	1.7
73.02917	33.6
79.05508	1.2
81.03413	7.0
85.02904	100.0
85.68739	1.2
86.03233	1.4
87.04478	4.8
91.03974	4.8
91.05497	1.4
97.02892	49.5
99.04487	5.0
103.03951	1.9
105.07034	5.1
109.02882	9.3
115.03926	18.0
119.04936	1.3
127.03912	32.4
133.04965	29.9
137.06030	4.2
145.04962	50.4
146.05345	1.4
147.04541	1.1
151.03882	1.1
153.01854	1.9
163.06018	32.6
179.07066	5.8
181.04996	2.2
193.04991	1.6
199.06000	2.0
201.09050	2.7
223.06052	4.0
241.06998	8.2
255.12215	2.0
259.08099	13.4
271.06003	38.5
272.06348	46.9
273.06586	3.7
277.09225	3.2
285.13297	1.5
295.10159	12.2
325.11459	5.7
433.11276	2.5
434.11615	11.8
435.11389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.6
52.16878	0.5
53.03942	0.8
54.74013	0.5
56.76882	0.5
57.03439	5.0
61.02923	1.2
69.03429	3.3
70.06596	1.0
70.72737	1.1
72.08145	0.6
73.02897	0.5
75.04491	2.5
75.26784	0.5
81.03412	2.0
85.02909	10.5
91.05462	0.8
95.04978	1.1
97.02893	3.4
99.04453	0.7
102.04710	1.9
103.03973	1.2
103.05470	32.6
104.05790	0.6
105.07025	3.5
109.02927	1.1
110.07140	0.7
119.04955	0.8
127.03946	3.2
129.06975	0.5
130.04134	4.3
131.04927	100.0
131.26486	0.6
132.05209	2.7
133.06470	3.7
134.06877	0.5
137.05971	2.7
138.06731	0.7
145.04962	2.1
145.06453	0.6
147.04416	1.8
148.05193	47.0
149.05550	1.9
150.06752	0.9
157.06476	0.9
160.05217	1.5
161.05992	11.3
162.06752	4.2
163.07545	85.4
164.07831	2.6
165.09125	1.7
167.07140	0.6
173.09634	0.7
175.03967	0.9
175.07567	2.4
178.84441	0.5
181.08658	0.9
189.09128	1.3
201.09100	2.9
204.07877	1.3
205.08577	1.6
207.06580	1.8
219.10225	3.3
237.11226	43.3
238.11531	1.7
255.12245	1.5
399.16510	6.3
399.69440	0.5
596.36578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.8
53.03948	13.7
55.01868	7.9
55.05510	8.3
57.03439	5.0
61.02912	3.5
62.05646	3.6
65.03946	2.7
67.05502	11.3
67.86010	2.8
69.03431	12.8
69.07074	80.6
70.06604	18.7
70.75999	5.9
71.04993	11.9
71.22327	2.9
73.06562	15.2
77.03940	4.6
79.05496	74.6
81.03417	23.6
81.07062	17.6
84.04500	4.7
84.08170	5.8
85.02900	34.5
85.06543	10.8
86.09725	7.3
86.66109	3.0
91.05482	42.1
93.07052	8.6
95.04980	17.7
95.08637	6.6
95.85143	3.0
97.02895	10.7
97.06522	17.8
99.08101	8.8
103.05474	39.0
105.03458	4.9
105.04514	6.8
105.07040	100.0
106.07372	3.7
107.04949	16.4
109.02900	5.4
110.07190	6.1
115.05461	14.8
115.07571	29.7
117.07019	19.6
119.04964	13.1
119.08581	8.3
120.08092	12.4
121.06509	11.0
123.04398	4.3
123.08031	8.2
127.03923	4.6
129.07001	11.7
131.04944	21.4
131.08571	19.7
133.06499	12.3
135.08099	6.4
137.05956	4.9
141.06981	8.4
142.98651	3.0
143.08569	5.1
145.04976	6.5
145.06490	27.6
145.10112	8.1
147.04411	15.6
147.08081	7.6
147.11755	3.1
148.05206	5.6
151.03865	3.9
153.06944	5.1
155.08609	8.4
155.10699	12.1
157.10075	4.7
159.08032	11.2
163.07588	14.3
167.07120	5.6
168.09363	4.3
175.03906	18.3
181.04953	9.5
182.05312	3.3
183.11671	6.2
185.15048	3.3
201.12711	30.1
203.14388	3.5
207.06538	45.6
217.12196	3.4
219.13828	98.0
219.17278	5.3
220.14146	8.5
237.11166	5.6
237.14954	6.1
271.06085	4.5
272.06357	3.7
381.18918	5.6
404.14267	4.2
489.06561	3.7
595.80188	11.1
596.29767	11.7
596.79590	3.2
597.21136	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	596.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75159	3.4
51.30176	4.9
53.03943	4.7
55.05502	14.8
57.03436	6.2
57.07074	8.0
64.64501	3.8
67.05174	6.7
67.05508	85.6
69.07062	14.1
69.39513	23.0
79.05500	49.1
81.07064	85.5
83.08624	8.1
85.02927	4.2
86.09679	4.4
91.05489	32.5
93.07050	73.8
95.04974	5.2
95.08614	70.3
97.06548	6.8
101.68543	3.8
103.03114	4.9
103.45978	4.3
104.10706	22.2
105.07041	27.9
107.08585	34.5
107.92057	3.5
109.02862	5.0
109.10152	34.4
117.07006	13.6
119.08584	22.4
121.10144	49.9
123.11691	21.9
131.08575	25.0
133.10141	20.3
135.11708	30.3
137.13271	5.8
145.10106	17.6
147.11681	14.4
149.02344	19.5
149.03392	5.1
149.13243	20.5
150.02692	9.7
151.02823	4.0
154.94264	4.2
159.11673	17.0
161.13263	16.9
163.14810	16.4
172.95274	4.5
173.13280	17.3
175.14838	6.2
177.16458	6.3
187.14827	7.5
193.04993	10.5
194.05354	8.8
198.96945	4.7
243.21121	41.4
261.22159	100.0
262.22458	8.4
279.23483	5.6
283.73523	4.1
335.25769	22.3
337.27234	7.8
353.26944	37.1
471.72403	4.4
561.27057	7.5
579.13318	24.3
596.25781	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01875	2.3
55.05502	8.0
56.70527	1.4
57.03437	4.4
57.07059	3.2
59.04998	2.5
61.02915	5.7
61.56774	1.6
62.10610	1.7
65.03945	1.5
67.05505	10.5
69.03429	12.8
69.07069	10.4
70.91671	3.2
71.04992	38.2
73.02910	2.6
73.06549	4.1
79.05486	17.6
81.03427	5.0
81.07058	35.6
82.07368	1.5
83.04983	4.8
83.08616	7.9
85.02904	64.3
85.06533	6.2
91.03984	2.0
91.05482	16.9
93.07044	33.4
95.04945	3.7
95.08604	41.1
97.02901	16.3
97.06536	7.5
97.10174	4.8
99.04462	3.6
99.08103	8.4
105.07034	48.9
106.07348	1.5
107.08594	35.0
109.02881	6.4
109.06544	3.9
109.10153	18.3
111.08067	3.1
117.07009	4.3
119.08588	14.9
119.09363	2.3
121.10143	22.4
123.08106	2.4
123.11722	9.4
125.09627	38.0
127.03941	16.0
127.07526	4.5
127.11191	6.1
131.08559	12.2
133.10130	82.6
134.10466	4.6
135.11687	6.6
137.05983	1.6
139.11214	1.7
143.10670	82.1
144.10985	3.5
145.04958	27.5
145.10121	14.0
146.05388	1.6
147.04483	1.5
147.05672	1.4
147.11687	19.6
148.11897	2.2
149.09630	1.7
149.13255	31.5
151.11203	5.7
155.10719	2.4
157.10120	2.4
159.11717	13.5
161.13229	11.4
163.06023	17.6
167.07030	2.5
167.14313	100.0
168.07372	1.5
168.14633	5.1
169.12244	5.6
173.13287	3.9
175.11209	1.8
177.12694	2.1
181.04997	2.2
187.14929	1.8
191.14029	1.5
191.17946	3.4
201.16385	17.9
203.17963	2.1
219.17439	85.4
220.17769	5.8
221.19028	2.1
237.18443	20.5
271.06000	3.4
272.06299	3.4
287.05563	4.1
288.05878	3.6
325.11328	3.5
352.47018	1.7
363.21817	2.1
381.22623	1.8
606.20844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.4
53.41778	2.5
55.01865	5.3
55.05504	16.0
57.03441	7.8
57.07063	8.6
59.05008	3.0
61.02918	4.4
67.05508	17.9
69.03438	18.0
69.07078	15.9
71.04996	39.7
71.31409	4.9
72.64944	2.6
73.06561	6.5
79.05489	29.5
79.91324	2.6
81.03419	12.3
81.07060	70.3
83.04995	17.8
83.08609	9.0
85.02915	58.6
85.06547	10.6
87.04457	6.8
91.03919	4.6
91.05481	26.9
93.07047	81.1
95.04974	13.2
95.08612	42.7
97.02906	18.7
97.06516	17.5
97.10193	4.0
99.04435	4.5
99.08082	6.9
102.15161	2.7
103.05427	3.0
105.07032	68.9
107.04945	5.0
107.08596	57.7
109.02884	6.1
109.06533	7.4
109.10149	25.7
117.07012	7.9
119.08577	51.5
120.08846	3.7
121.09291	6.2
121.10145	100.0
122.10495	2.8
123.08062	5.3
123.11706	11.9
125.09632	38.5
127.03936	15.9
127.11193	11.5
128.06229	3.5
129.07033	3.1
131.04909	3.5
131.08585	20.0
133.10129	63.0
135.08083	2.8
135.11703	36.3
137.06024	4.9
137.09641	4.7
139.11162	4.1
143.10678	85.9
145.04974	21.8
145.10123	48.9
147.11671	31.6
149.13248	25.8
151.11160	10.1
155.10629	6.3
157.10135	3.5
159.11674	29.2
159.15324	3.0
160.12122	3.1
161.04871	2.9
161.06110	3.2
161.13254	7.9
163.06020	12.7
163.11183	5.6
167.06987	6.8
167.10645	3.1
167.14310	37.2
168.14645	3.0
169.12219	4.6
173.13326	4.4
175.11119	3.7
175.14842	4.5
177.12752	7.8
181.04900	6.9
191.14217	5.4
191.17947	10.2
201.16364	35.8
219.17459	84.9
220.17723	5.0
231.17847	3.0
237.18489	26.0
271.06049	6.7
272.06348	9.1
287.05475	9.5
288.05814	12.9
325.11057	3.3
381.22775	3.2
399.24457	4.0
417.15384	3.2
435.10382	3.2
462.25967	2.9
596.22003	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	597.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13807	0.3
53.03922	1.3
53.70476	0.3
53.96323	0.3
54.21364	0.3
55.01852	0.3
55.05487	0.4
63.13902	0.3
64.68229	0.3
65.03918	0.7
67.01835	0.6
67.05485	1.4
67.45607	0.3
68.99800	0.6
69.03398	0.7
69.07034	0.6
77.03915	0.4
79.05465	1.5
81.03399	0.5
81.07040	1.8
83.04958	0.6
85.02882	1.3
86.76172	0.3
89.03906	0.6
91.05473	1.9
93.07002	1.0
94.04173	1.2
95.04973	4.7
95.08578	1.2
97.02851	1.2
98.23447	0.7
99.13919	0.3
103.03551	0.4
105.03411	1.7
105.04475	0.7
105.06980	1.3
107.04916	1.6
107.08572	1.0
107.10551	0.3
109.06508	1.0
109.10112	0.6
109.91356	0.3
111.04453	0.8
115.05430	0.5
117.03365	1.2
117.06999	0.7
118.04211	0.4
118.21796	0.4
119.04945	0.6
119.08568	0.5
121.02811	0.6
121.06472	0.7
121.10127	0.5
122.03644	3.1
123.04418	2.3
125.02347	0.4
125.05952	0.5
127.03898	0.5
131.04893	0.5
131.08598	0.7
133.02893	2.0
133.06442	0.5
133.10135	0.6
134.03610	1.0
135.04379	1.2
136.05179	2.2
137.05980	39.9
138.06305	0.9
141.06973	0.6
145.02837	2.0
145.06441	0.4
145.10187	0.5
147.04390	0.7
147.11647	0.5
148.05206	0.5
149.02296	0.5
149.05966	1.5
150.03023	0.6
150.06735	0.7
151.03859	0.5
153.01823	10.0
153.05458	0.4
159.11697	0.4
161.02318	0.7
161.05876	0.6
161.13211	0.4
162.03197	0.7
163.03903	1.0
164.04674	1.5
167.07028	2.5
168.04182	0.7
173.05949	0.6
176.04666	0.7
177.01801	0.4
177.05489	10.6
177.07007	0.8
178.05852	0.5
181.04956	1.6
191.03452	0.4
191.07033	1.2
193.06566	0.6
194.05791	0.8
197.06010	0.8
201.05493	0.4
203.03395	9.3
205.06378	0.4
205.27864	0.4
209.07947	0.5
213.05475	3.0
221.06003	0.7
225.05469	0.6
229.04951	8.1
241.04930	4.1
242.05751	9.9
243.06212	0.7
253.04924	1.6
257.04453	75.2
258.05130	9.9
265.04971	0.5
269.04501	3.3
270.05240	3.6
271.06006	4.1
281.04465	0.9
281.08115	0.9
283.05942	0.5
285.03937	9.0
286.04712	27.6
287.05457	16.9
288.05734	0.7
297.03955	21.3
298.04196	1.2
305.07986	0.7
308.06726	1.2
309.03967	0.4
309.07520	0.4
310.04724	1.1
311.05490	1.7
312.08563	1.4
333.07565	0.9
334.08368	1.4
344.06827	0.8
345.07693	2.2
357.07617	0.6
361.07166	2.9
362.07742	1.0
372.06494	0.6
373.07065	18.2
374.07504	2.1
375.08560	0.9
387.14020	0.4
388.83453	0.3
389.06503	4.5
390.07275	1.3
391.08102	1.5
401.06549	19.3
402.07089	2.9
403.08081	1.0
405.09729	1.0
417.05765	0.5
418.06900	3.6
419.07645	1.7
420.08420	1.1
429.06323	0.8
433.09137	9.9
434.09610	0.7
435.10782	14.0
436.10736	1.4
446.06381	7.3
447.06958	0.9
451.10233	0.7
458.96304	0.4
461.08685	26.2
462.09137	2.4
479.09747	27.5
480.09933	2.4
579.11652	0.9
580.11725	0.5
597.12360	100.0
598.12750	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	597.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
57.03394	0.5
59.57674	0.5
63.52049	0.6
65.03943	0.7
67.05508	1.1
68.68568	0.6
69.03422	1.1
69.07087	1.0
71.01366	0.7
71.04977	0.7
73.02919	1.8
78.58067	0.7
79.05485	1.1
81.03433	0.6
81.07063	1.7
83.04987	1.7
84.14290	0.6
85.02911	1.0
89.03931	0.7
91.05481	1.7
93.07077	1.0
94.04196	0.9
95.04983	4.8
95.08611	0.8
98.22640	1.3
99.04485	1.5
105.03378	1.6
105.07008	1.1
107.04967	1.6
107.08628	0.7
109.02847	0.7
109.06531	0.6
109.10182	0.7
117.03353	1.4
119.03436	1.0
119.04971	0.7
119.08619	1.4
121.06490	0.8
121.10136	0.9
122.03645	2.1
123.04454	2.6
125.02454	0.6
129.07008	1.3
131.04922	0.6
133.02847	1.2
133.10144	0.7
135.04449	1.0
135.11749	0.7
137.05977	33.0
138.06310	0.9
143.08519	0.6
145.02864	3.3
145.10085	0.9
148.05170	1.1
149.02403	0.9
149.06013	1.4
149.09656	0.9
153.01839	8.4
161.13147	0.6
164.04723	1.6
167.07086	1.8
168.04242	0.8
177.05479	8.0
179.03343	0.6
181.05003	1.1
187.37982	0.6
191.03490	0.6
191.07097	0.8
194.05898	0.8
203.03453	7.2
213.05524	2.1
221.06044	0.9
229.04941	6.2
229.06935	0.7
241.04912	3.6
242.05765	6.1
244.66518	0.7
257.04453	54.0
258.05142	7.5
269.04584	2.2
270.05301	2.6
271.06058	2.6
281.08173	0.7
285.03964	4.9
286.04712	17.6
287.05484	7.3
297.03955	14.0
298.04440	0.8
315.04980	0.8
334.08395	1.1
345.07751	2.2
345.35712	0.6
357.07709	0.7
361.07101	2.3
362.08185	0.8
373.07089	14.0
374.07465	1.8
375.08640	0.9
389.06744	3.5
390.07248	1.4
391.08374	0.7
401.06540	18.8
402.07095	2.6
405.09769	0.7
418.06714	3.2
419.07620	1.7
429.06732	0.6
433.09171	8.4
434.09698	0.7
435.10693	4.5
446.06348	6.1
461.08719	17.9
462.09061	2.4
479.09637	4.1
521.10400	1.0
551.12146	1.7
597.12384	100.0
598.12756	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	597.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01850	0.8
55.05486	0.6
65.03954	0.5
67.05474	1.3
68.99786	1.0
69.03406	1.4
69.07044	0.5
69.12212	3.7
70.06570	0.6
79.05466	1.7
81.03422	0.7
81.07064	2.8
83.04946	0.9
85.02872	2.0
88.54666	0.5
89.03867	0.7
91.05470	2.5
93.06997	1.7
94.04159	1.7
95.01263	0.5
95.04973	5.1
95.08585	1.3
97.02895	1.1
97.06545	0.7
100.11208	0.7
103.05444	1.2
105.03370	1.8
105.07000	2.1
107.04993	2.5
107.08575	1.3
109.06487	0.9
109.10149	0.8
111.04397	1.1
117.03339	1.6
117.07001	0.6
118.48054	0.5
119.08560	1.4
121.06469	0.9
121.10107	1.1
122.03622	2.9
123.04437	2.9
127.03893	0.8
129.06960	0.6
131.04857	0.6
133.02808	1.8
133.10115	1.0
134.03618	1.2
135.04419	1.5
136.05139	2.4
137.05977	40.4
138.06276	1.2
143.08446	0.8
145.02812	2.2
145.10104	0.8
147.04372	0.7
147.11662	0.7
149.02248	0.8
149.05920	1.8
150.03105	0.9
150.05479	0.7
150.06688	0.7
153.01837	9.7
153.05397	0.6
161.02283	0.8
161.05992	0.8
162.03041	0.7
163.03908	1.3
164.04698	1.9
165.06866	0.6
165.09094	0.6
167.07069	2.9
168.04199	0.7
173.05978	0.6
176.04684	0.7
177.05473	13.0
177.06979	1.1
181.04976	2.8
183.11732	0.5
191.07013	1.5
193.85275	0.5
194.05708	0.6
203.03398	9.8
206.10887	0.5
213.05455	2.8
221.05945	1.3
222.15781	0.6
229.04919	8.3
233.07985	0.7
239.14450	0.5
241.04893	4.8
242.05717	9.5
242.44649	0.6
253.05000	0.7
257.04446	72.2
258.05106	11.2
269.04385	3.4
270.05270	4.0
271.06003	3.9
281.04617	0.6
281.08035	1.1
285.03952	9.8
286.04706	26.2
287.05460	20.2
297.03946	21.1
298.04315	1.5
305.07874	0.9
308.06866	0.9
310.04636	0.9
311.05313	1.5
312.08533	1.1
334.08365	1.5
345.07596	2.2
357.07419	0.8
361.06931	2.8
362.07532	0.9
373.07068	19.1
374.07553	2.2
375.08682	1.0
387.14255	1.2
389.06555	4.9
390.07391	1.1
391.08118	1.8
401.06555	17.9
402.07007	3.5
403.07898	1.2
417.15253	0.6
418.06964	4.1
419.07431	1.7
420.08575	1.2
433.09195	8.8
434.09448	1.2
435.10736	13.4
436.10727	2.6
446.06342	6.6
461.08649	24.2
462.09009	2.4
479.09717	26.9
480.10159	2.2
493.10757	0.6
579.11798	1.1
597.12360	100.0
598.12769	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	597.1814
Annotation	Naringenin 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
53.03956	5.3
56.29531	5.1
58.71424	5.2
65.03927	6.5
67.05496	6.3
69.03426	12.0
69.07067	8.2
70.06599	7.2
70.29829	5.1
71.04967	5.2
71.20079	6.5
79.05492	10.0
81.03419	10.6
81.07054	9.3
85.02911	42.6
86.09733	9.7
91.05491	14.6
93.03419	8.0
93.07071	6.4
95.04974	12.5
97.02881	17.1
105.03394	5.0
105.07026	12.0
107.04951	34.7
109.02876	15.2
114.59595	5.2
117.07059	7.9
119.04961	19.7
121.02882	14.1
121.06531	7.8
123.04431	12.8
127.03951	7.1
129.06989	6.3
131.04974	6.2
131.08582	6.2
133.06459	6.5
135.04414	17.2
135.11713	10.2
137.06004	25.8
139.03870	7.4
140.28983	4.7
145.06474	7.2
147.04379	25.0
147.08041	5.9
148.04803	6.9
149.06056	5.4
151.03897	10.4
153.01881	11.5
163.03833	8.2
165.01820	14.0
167.07057	23.1
173.02406	9.6
173.06017	9.3
174.67772	5.5
175.03947	7.9
176.04268	5.9
177.01852	15.1
177.05444	13.2
179.07021	19.9
181.04924	24.5
182.05338	14.0
187.03923	12.3
189.01837	27.4
191.03448	16.3
195.02954	24.2
199.03944	6.4
201.01849	6.9
201.05499	13.1
203.03401	13.0
205.01321	13.9
207.02936	46.9
207.06572	21.7
208.06902	12.7
215.03432	11.1
219.02867	80.6
221.04562	6.6
223.02394	8.7
225.03947	17.2
229.05009	15.9
231.02827	44.1
233.04427	20.1
233.08131	8.0
237.03975	21.1
243.02963	25.6
245.04453	7.8
249.04016	13.3
257.04428	18.3
259.02530	6.7
261.03937	100.0
271.05930	37.6
272.06357	20.7
273.03928	49.0
273.06723	22.0
285.03876	40.7
291.04971	21.6
297.03888	17.4
297.07184	12.4
299.05704	13.6
303.05011	30.5
309.03818	7.3
309.07468	9.3
315.04956	11.3
321.06094	19.3
327.04977	39.7
327.08646	24.6
339.08234	41.4
343.09183	11.9
345.06094	9.0
351.08682	12.3
355.12320	7.3
357.05981	10.1
363.07025	26.5
375.07159	9.5
381.09561	32.9
387.07007	10.4
393.08951	25.5
399.14798	10.9
405.08731	32.6
405.14075	8.2
411.10626	15.9
417.09708	7.8
417.15039	10.1
423.10223	25.9
427.10223	8.9
429.12079	25.6
441.10852	25.8
447.10684	18.9
459.12750	25.3
465.11743	7.1
477.11734	9.6
483.12787	6.0
495.12683	14.5
504.45395	6.2
507.12833	8.2
525.13959	6.2
597.20251	55.7
597.29950	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.218
Annotation	Staunoside C
Peak:m/z	Relative Intensity
53.03952	1.6
53.89525	0.7
55.01869	1.6
57.03444	1.4
65.03942	2.9
65.36103	0.7
67.01862	2.2
67.05505	2.6
68.99814	1.8
69.03437	5.8
70.43599	0.7
71.04993	3.5
71.31271	1.3
75.02988	0.7
76.54895	0.8
78.04705	1.0
79.05499	6.0
79.05887	1.1
81.03431	3.7
81.07066	3.5
82.04181	1.2
85.02904	10.6
85.06552	1.2
86.03229	1.1
86.09657	0.8
91.05502	5.1
93.03435	0.9
93.07050	3.2
95.04971	2.7
95.08614	2.7
97.02905	2.0
97.06535	2.7
99.04471	0.8
103.05470	1.6
105.07043	4.0
106.04167	1.1
107.04958	13.7
107.08598	2.3
109.02870	1.6
109.10138	1.0
110.03651	1.6
111.04462	1.1
115.05447	1.9
117.07014	2.5
119.04946	1.7
119.08594	1.5
121.06511	1.9
121.10148	1.3
123.04436	1.9
124.05222	1.8
125.05981	2.7
125.09651	0.8
127.03918	6.2
129.06996	2.8
131.08583	3.4
133.06522	1.6
133.10124	3.6
135.04427	2.9
136.04811	1.1
137.02396	1.4
137.06000	2.3
138.03160	1.0
139.03886	0.9
139.11247	0.8
141.07050	2.2
142.02544	1.9
143.10631	0.8
144.05746	2.6
145.02811	0.8
145.04997	0.8
145.05414	0.8
145.06482	5.7
145.10104	1.6
147.04442	1.6
147.08060	0.9
147.11690	1.5
149.05977	1.3
151.11234	1.3
152.04675	1.3
153.01817	15.9
153.02945	1.3
153.05518	1.9
154.02202	5.5
155.02327	2.8
155.06003	1.3
157.06519	1.7
159.08070	3.0
160.05220	1.2
161.02321	1.5
161.05960	4.3
161.13298	1.8
167.07037	33.1
168.07431	1.3
171.02950	1.5
171.06575	1.8
172.03352	1.0
172.05212	4.8
173.06007	3.3
175.07632	1.1
177.05490	1.2
177.09116	1.4
179.03294	0.7
181.04967	52.7
182.05368	2.0
184.05379	0.8
185.05882	0.9
186.03331	0.8
187.07559	7.2
189.05507	2.0
190.06288	1.2
191.07083	1.8
191.10724	1.7
195.06522	2.5
200.04688	2.6
201.05489	4.1
203.14308	1.0
205.08646	3.2
206.05772	1.9
207.10123	1.1
209.43393	0.9
213.05545	0.9
217.08676	2.3
218.05711	5.5
219.06410	1.4
219.10159	2.3
221.06190	1.2
221.08084	4.9
221.15308	1.3
233.08090	37.0
234.08492	1.2
235.09673	1.8
237.18471	1.1
245.08125	2.5
247.07509	0.9
251.09140	2.6
263.06778	1.6
263.09195	13.1
271.06015	43.7
272.06360	36.8
273.06570	35.0
279.10373	0.9
281.10141	1.3
287.05508	100.0
288.01224	1.3
288.05838	86.3
289.06067	93.3
290.06189	4.0
305.08347	0.8
306.08826	1.2
321.07336	1.0
323.09360	1.2
339.12387	1.4
344.13141	1.0
355.11539	1.8
367.11670	2.6
371.15390	1.0
373.12827	0.8
381.13327	1.9
384.12460	1.0
387.14294	6.7
399.14404	7.2
405.15140	2.1
417.15430	45.3
418.15591	2.5
435.11499	1.5
435.16800	1.3
579.21558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	77.3
61.74012	6.1
67.05509	36.5
69.07081	14.4
69.38017	33.5
72.52657	7.5
79.05492	22.7
79.75516	6.3
81.07069	41.0
83.04989	100.0
91.05471	9.9
93.07040	19.9
95.08596	23.5
97.74897	7.0
98.23315	10.8
98.98473	14.5
99.04443	24.2
107.08604	11.9
109.02843	6.6
109.10161	10.5
118.90865	6.4
119.08568	8.9
121.10184	12.5
127.03920	14.5
133.10152	10.8
151.05458	7.0
167.10628	8.0
187.84641	6.5
207.10167	25.7
220.82671	6.1
251.03441	9.9
252.04111	9.6
257.30569	7.2
261.22128	13.6
262.22510	9.6
265.05197	8.8
265.08505	11.9
266.05634	11.7
279.06509	9.0
280.07315	8.2
293.08154	8.6
294.05408	7.2
295.09772	9.9
297.07574	29.2
301.20239	20.3
305.07602	7.5
308.07120	6.5
309.07477	9.2
311.05624	7.0
313.07095	13.9
321.17062	6.6
323.09085	41.0
325.06952	10.0
326.07849	7.0
337.10645	16.1
337.27380	41.6
353.09869	13.5
355.11771	28.5
357.09738	7.8
367.11783	13.7
369.13605	10.9
379.11615	15.4
397.12933	23.1
477.19769	12.8
537.30060	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	597.3032
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05502	14.4
57.03441	8.5
57.07075	3.4
61.74007	2.9
65.03928	3.4
67.05511	27.5
67.13411	2.7
67.99716	3.1
69.07074	20.4
69.93013	3.1
70.08424	10.3
79.05473	9.3
81.03417	11.8
81.07056	40.3
83.08611	9.0
85.02914	3.5
91.05476	8.9
93.07032	9.9
95.08589	24.4
96.35644	2.9
97.10185	3.5
98.98470	34.8
105.06998	5.9
107.08606	4.6
109.02858	6.1
109.10150	10.3
115.97970	3.3
121.10105	6.1
124.93700	4.0
125.74484	3.3
133.03479	4.4
133.10161	4.3
135.11690	5.9
143.01933	3.2
146.96928	3.8
147.11664	5.0
149.13188	3.6
167.10599	4.2
184.81226	3.0
261.03754	6.6
301.20126	34.1
319.21033	5.6
324.81989	3.4
337.27344	100.0
338.27628	5.0
379.73373	3.2
537.30225	51.2
539.30707	8.4
597.39764	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	598.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17570	0.2
53.80820	0.2
67.01849	0.3
67.05455	0.2
68.99791	0.2
69.07050	0.2
69.08020	0.2
69.55532	0.1
70.57920	0.5
71.63603	0.2
81.07012	0.2
85.02850	0.2
91.05468	0.3
93.07024	0.2
94.06548	0.5
96.08095	0.4
97.02876	0.2
106.34435	0.1
111.00821	0.2
112.39689	0.2
117.03417	0.2
124.07587	0.3
133.10034	0.2
135.04407	1.2
137.02316	0.5
150.05504	1.7
152.07053	0.7
153.01823	4.8
161.02299	0.2
171.02840	0.4
179.03369	0.3
184.07361	0.4
203.03386	0.5
213.05482	0.2
224.70067	0.2
229.04924	1.8
230.05588	0.2
241.04967	0.5
257.04462	3.0
258.05240	36.5
259.05630	2.0
269.04431	0.4
286.04712	82.7
287.05472	100.0
288.05823	4.6
311.05322	0.3
374.07590	0.2
391.07843	0.2
419.07123	0.2
434.09503	0.3
436.10272	65.6
437.10571	5.3
462.08960	0.4
598.14172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34272	2.3
52.16521	2.2
53.03950	4.1
55.01857	2.1
57.03431	2.6
61.43896	2.2
64.48341	2.3
69.03432	6.9
70.33965	6.1
71.04990	2.7
79.05482	5.3
81.03414	13.8
81.07047	4.7
85.02920	14.9
87.00817	2.7
88.50646	2.4
91.05482	4.4
91.36565	2.7
93.07053	3.9
94.66262	2.5
95.04942	2.7
97.02901	3.9
103.05488	4.6
103.37756	2.3
105.01851	5.5
105.07040	7.5
107.04964	8.6
107.08614	4.2
114.68253	2.4
115.05466	8.0
117.07009	15.2
124.05193	3.0
127.03951	5.1
129.06966	2.3
131.08650	4.0
133.06512	2.6
135.11737	5.0
137.05983	2.6
144.05695	5.0
145.06480	27.6
153.12779	12.6
154.11270	2.5
155.06047	5.4
156.05710	8.9
159.08037	4.6
161.05957	7.0
167.07036	52.8
173.05997	60.2
174.06346	4.1
177.05373	3.6
180.08746	2.9
182.15840	2.7
187.07584	4.7
190.06244	30.5
191.07013	4.2
193.08604	6.4
202.06285	3.4
203.07036	6.9
204.07820	3.1
205.08600	100.0
206.08994	3.6
207.10344	3.0
217.08614	38.4
217.10530	3.9
219.10126	3.4
235.09662	26.6
247.07304	2.8
247.09706	5.1
265.10727	20.8
272.06427	2.9
307.09558	3.5
319.71289	2.6
330.11038	6.0
331.11530	2.7
345.04865	2.9
351.12164	4.1
371.14923	3.7
383.14844	7.4
401.15985	7.1
598.19611	4.2
599.26459	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	598.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01868	1.9
55.05505	2.0
57.03430	2.0
57.06790	1.0
57.07075	19.8
61.02922	2.5
61.97982	0.8
67.05499	2.0
69.03429	5.5
69.07072	1.9
71.04993	1.3
71.08640	0.8
71.87469	0.7
73.02905	1.0
73.35310	0.5
79.05489	2.0
81.03416	3.2
81.07064	2.6
83.04990	0.7
83.08627	0.7
85.02905	20.1
85.06542	24.0
87.03661	0.5
87.04469	0.7
91.05489	1.6
93.07053	2.6
95.04977	5.8
95.08604	9.2
95.09163	0.8
97.02898	6.8
97.06536	1.0
97.10177	0.7
99.04452	1.5
99.08106	1.2
105.07013	2.2
107.04973	0.7
107.08585	2.8
109.02886	1.8
109.06519	18.7
109.10164	6.1
119.08578	3.3
119.68971	0.5
121.06509	0.5
121.10138	1.5
121.26846	0.5
123.08074	7.1
123.11674	0.8
125.06057	0.6
125.09583	1.0
127.03901	3.0
127.07486	0.6
133.10133	1.8
135.11705	0.9
137.05963	0.8
137.09608	8.8
137.84535	0.5
139.07509	0.6
143.08595	0.7
145.04959	2.1
147.11638	0.8
151.07521	0.6
153.01891	0.7
153.09100	5.1
155.10675	13.5
161.13216	1.8
165.09119	2.4
175.14915	1.3
177.12675	0.5
179.14313	33.9
180.14651	1.2
193.12285	0.5
193.15926	2.5
203.14310	0.8
221.15367	6.2
227.34416	0.6
237.14828	1.0
239.16417	100.0
240.16769	4.5
241.17934	0.7
255.15720	0.8
257.04446	1.4
257.17474	48.4
258.05002	1.8
258.17828	2.7
286.04602	1.4
287.05475	2.8
298.70544	0.5
300.14163	2.7
341.12418	0.5
383.20514	0.7
398.21524	4.1
401.21713	5.1
402.21622	0.6
436.10458	0.7
447.06927	0.6
462.07822	0.6
480.09793	0.7
500.24539	1.1
586.18347	0.6
598.12469	1.3
598.32025	16.0
599.32227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
55.05515	21.7
57.03442	4.5
57.07075	13.2
59.05008	2.5
65.03963	2.7
67.05508	81.5
69.03447	6.5
69.07069	27.1
69.34984	14.6
71.05013	3.7
71.08630	6.1
79.05488	28.9
81.03420	4.2
81.07059	100.0
81.76299	2.0
82.07412	3.2
83.04989	3.6
83.08624	25.0
85.06570	4.4
85.10193	3.2
91.05499	26.8
93.07047	45.3
95.04970	3.8
95.08612	89.8
95.09238	4.5
96.08965	4.1
97.06556	10.2
97.10165	15.9
99.04481	4.1
99.08105	6.3
100.89394	2.3
105.07035	27.0
106.07346	2.5
107.08608	26.2
109.02889	3.7
109.06515	5.3
109.10160	42.6
111.08105	7.8
111.11749	4.8
113.09647	2.7
117.07034	4.8
119.08594	29.8
121.06506	2.8
121.10144	36.3
122.10506	2.8
123.08089	6.3
123.11716	24.8
125.09612	5.0
127.11275	2.8
131.08603	7.5
133.10129	26.2
135.08098	3.0
135.11705	18.2
137.09627	5.2
137.13290	10.0
139.07605	2.6
141.12766	3.8
142.07780	3.3
143.08566	3.9
145.10150	9.9
147.08051	4.1
147.11687	15.4
149.09624	4.6
149.13284	11.6
151.07654	2.7
151.11197	2.6
151.14828	8.0
156.09444	2.3
157.10149	8.1
159.11684	4.4
161.09671	4.1
161.13298	18.0
163.11192	2.7
163.14856	9.1
165.09172	5.0
165.16461	8.4
167.10622	11.1
169.10161	6.0
171.11731	6.4
173.13222	3.7
175.14850	14.7
177.09167	3.5
177.16418	2.2
179.08650	2.5
179.18001	9.1
181.12360	3.0
183.11723	3.3
189.12781	3.3
189.16426	6.2
191.14371	2.8
193.10172	2.5
195.11755	3.2
197.13289	5.0
199.14981	2.3
203.14439	2.7
209.01237	2.6
217.19771	2.3
221.15291	12.8
223.14839	3.3
233.15349	7.0
245.22653	64.0
246.23074	4.5
263.23712	89.3
264.23969	6.2
275.20096	2.7
337.27341	47.3
556.93646	2.3
563.28528	7.3
580.38116	3.3
581.40167	3.0
598.29602	4.9
598.38806	12.9
599.32074	5.2
599.41040	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	26.5
57.07072	11.2
58.59175	4.3
59.54199	4.3
60.13395	4.4
67.05509	89.1
69.07071	33.3
69.19095	26.0
71.08619	6.3
71.66196	4.5
77.44594	4.1
79.05482	25.1
81.06589	6.0
81.07062	100.0
83.08626	23.2
91.05494	17.9
93.07059	41.9
95.08613	94.3
97.06559	8.2
97.10193	10.5
102.09153	5.7
105.03325	5.3
105.07055	21.4
107.08595	21.3
109.02932	4.6
109.10165	40.2
111.11723	7.3
119.08575	13.7
121.10136	29.1
123.11731	18.1
124.93795	11.0
129.06924	4.8
133.10181	22.3
135.11707	17.4
137.13278	10.3
142.94843	6.5
147.11667	12.4
149.05977	11.8
149.13274	13.1
151.14838	6.7
161.13281	20.4
163.14822	10.5
165.16368	9.4
167.10721	4.7
175.14818	14.8
179.17981	9.5
189.16570	4.7
193.04860	4.4
221.15485	4.5
230.58641	4.6
245.22722	70.9
263.23697	95.1
281.15298	4.7
284.29358	7.7
334.20483	4.7
337.27332	46.5
341.10208	17.4
479.21277	16.3
598.37115	17.1
599.38306	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	598.489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82737	1.6
55.05505	4.1
57.07079	34.9
67.05495	4.3
69.07075	6.0
71.08636	30.2
71.13857	3.0
73.06568	6.8
79.05487	2.9
80.48188	1.4
81.07060	5.1
83.08624	6.3
85.10184	17.9
87.04471	5.7
89.06036	100.0
91.05485	2.5
91.07594	1.9
93.07043	2.7
95.08622	4.2
97.10175	5.7
97.16967	1.4
99.11735	3.7
105.07008	2.5
107.07095	3.7
107.08566	1.7
111.11727	2.4
113.13248	1.7
117.09148	5.0
124.01347	1.6
125.13236	2.2
127.85304	1.5
130.08659	3.2
131.07019	1.8
133.08606	56.3
133.10143	2.9
135.11678	1.4
147.11586	1.4
155.17998	1.6
157.10213	1.9
169.10178	1.6
177.11244	19.3
211.24307	2.2
221.13719	4.1
255.26955	2.3
283.17471	2.5
299.29401	3.9
303.53253	1.5
327.20160	1.6
343.32062	1.8
371.22818	6.2
406.14282	1.5
581.45941	5.3
598.49036	2.6
619.94147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
54.65278	1.7
55.05507	4.2
57.07084	3.8
58.98336	2.2
65.85124	2.2
67.05498	10.1
71.32667	2.6
79.05497	6.0
81.07053	13.6
85.10166	2.6
89.06042	10.2
91.05493	9.3
93.07056	6.4
95.04996	2.9
95.08623	9.9
105.07054	8.8
107.08614	6.6
109.10172	3.7
111.08073	2.2
112.46062	2.1
118.93708	2.0
119.08611	7.4
121.10147	6.4
123.08085	2.7
128.41116	2.0
131.08557	3.9
133.08611	8.5
133.10143	5.2
135.08043	2.4
135.11716	2.7
137.09610	2.4
143.08543	2.8
145.10149	4.9
147.08102	2.8
159.11687	2.6
165.09160	4.7
169.10115	3.3
170.10876	2.4
173.13278	2.6
174.70193	2.1
203.14233	2.5
210.95660	2.1
221.15466	7.3
223.12343	2.2
247.16972	3.9
297.68665	2.0
328.17911	2.6
339.16138	5.2
352.24121	2.7
353.17578	4.8
354.18436	5.8
358.19135	3.2
364.17511	2.2
365.17691	3.2
367.15182	2.2
369.20865	17.0
379.19302	9.5
381.17270	2.8
395.23013	2.2
397.20441	10.4
409.20233	2.8
419.18475	4.1
425.19794	22.5
437.19696	3.3
451.21667	12.8
452.21902	2.9
453.19025	3.2
455.24454	3.9
456.25177	6.9
461.19696	2.6
463.21237	2.6
467.24323	3.9
479.21069	2.6
483.23828	4.5
484.24823	6.7
496.22098	2.5
497.22253	4.1
501.39764	3.1
511.23190	4.6
512.24188	51.9
513.24524	5.9
521.22009	6.1
539.22955	56.5
540.23151	6.0
582.22882	3.5
599.15454	4.9
599.25049	100.0
599.40503	4.5
599.50397	4.0
600.25262	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	599.2616
Annotation	Tinyatoxin
Peak:m/z	Relative Intensity
51.37337	1.4
52.67633	1.2
67.05497	1.5
71.31470	1.8
72.19301	1.4
78.54715	1.4
89.12091	1.4
91.36863	1.5
91.49429	1.3
96.85146	1.4
116.98465	1.4
125.88171	1.6
137.05745	2.3
138.82051	1.3
142.60173	1.5
151.86797	1.6
199.09409	1.7
202.06071	8.5
280.04248	1.4
409.34421	1.9
599.26147	100.0
600.26324	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70559	0.7
53.03942	1.3
55.01860	0.7
55.05515	4.5
57.07103	1.8
65.03924	1.2
67.05505	6.2
69.03425	1.7
69.07066	2.8
71.04983	1.2
71.31415	1.0
79.05502	5.7
81.07063	8.2
83.04983	2.7
83.08626	3.0
85.06550	1.1
90.83484	0.8
91.05495	7.3
93.07062	9.9
95.04974	3.7
95.08602	9.1
97.06532	2.9
103.05479	0.8
105.07030	11.2
106.00008	0.7
107.08598	5.9
107.43159	0.7
109.06527	1.6
109.10201	3.7
109.14291	0.7
113.09625	1.2
115.05449	1.6
117.07030	2.8
118.06532	1.2
119.08584	9.5
121.06510	1.1
121.10160	6.2
123.08066	3.2
125.09657	1.3
128.06235	1.2
129.07007	3.0
130.07785	0.8
131.08589	4.3
133.10144	6.0
135.08047	2.8
135.11702	2.8
137.09595	2.6
139.11227	1.5
141.06909	1.0
142.07779	1.9
143.08533	2.3
145.06514	0.9
145.10127	8.1
147.08061	4.1
147.11713	3.4
149.09612	1.5
151.07565	3.0
155.08578	1.7
155.10683	1.4
157.10126	4.7
159.08069	1.0
159.11633	4.1
161.09607	1.1
161.13145	1.0
163.11185	2.1
165.09131	7.7
167.10773	1.5
169.10112	3.0
170.10860	1.0
171.11682	4.8
173.09601	1.0
173.13287	2.3
175.01660	1.0
175.11147	0.9
175.14822	1.8
179.14375	0.8
181.10144	1.3
181.12250	3.6
183.11752	2.0
185.13258	2.8
187.11258	0.8
187.14905	1.8
189.12688	0.7
191.14355	0.8
195.11769	2.7
197.10753	1.6
197.13240	3.2
201.16365	1.0
203.14444	1.8
207.11650	1.1
207.13646	1.0
208.10045	0.9
208.12434	0.9
209.10939	1.0
209.13289	2.1
210.11501	1.0
211.12363	1.2
211.14676	1.6
221.10854	1.6
221.13272	1.7
221.15334	12.3
223.12390	1.6
223.14847	1.6
225.13774	3.3
233.15318	1.6
235.12178	0.9
237.10275	1.1
237.13922	2.4
237.16231	0.8
247.16968	1.9
249.13911	1.2
255.11176	0.8
265.13312	0.9
269.12915	1.3
270.13577	0.8
271.14590	1.3
281.19025	0.9
287.20239	0.9
298.13486	0.8
299.20020	2.7
300.14886	1.0
302.16553	1.4
312.14975	2.0
313.12094	2.2
314.12857	0.9
325.21292	1.0
328.14719	1.0
328.18213	0.8
330.20285	0.8
365.24698	1.3
377.17688	1.7
378.18445	1.1
391.19034	2.3
392.19708	1.6
393.20593	1.8
403.15302	1.3
406.21527	1.0
407.22452	1.8
408.22552	0.9
413.26801	1.1
417.17612	1.0
419.18637	1.0
421.23761	1.4
433.20352	2.4
434.20871	1.3
435.21951	1.4
437.19543	2.0
448.22412	2.1
449.23273	2.4
451.21317	1.2
452.21848	2.2
463.25110	0.9
465.22714	1.0
466.23474	1.0
479.20639	2.0
480.21350	1.9
481.22006	1.5
491.24615	4.5
493.22424	8.7
494.22571	1.2
495.27582	1.0
507.23444	1.1
507.34464	1.1
517.22198	2.4
523.26941	2.4
525.24908	2.6
535.23645	1.7
543.18524	1.9
549.24896	19.9
550.25385	1.2
567.26031	100.0
568.26337	10.9
581.41174	1.4
599.41040	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	600.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46048	0.2
52.07931	0.2
53.03928	0.2
57.03429	0.2
60.04522	0.2
61.02907	0.3
67.05510	0.2
69.03430	0.9
70.06594	0.3
70.07708	0.2
70.08064	0.5
78.04713	0.2
79.05457	0.2
85.02902	2.1
86.09701	0.2
91.05470	1.6
97.02880	0.7
97.93702	0.1
99.04430	0.2
103.05434	0.4
105.07027	1.1
107.04949	0.7
109.02855	0.2
115.05435	1.4
116.06242	0.7
117.07040	1.2
119.04961	0.2
119.08578	0.3
120.22536	0.2
121.06478	0.3
123.04444	0.2
124.05244	0.2
127.03878	0.2
128.06218	2.5
129.07010	6.0
131.04929	0.4
131.08566	6.7
132.05736	0.5
133.06520	0.8
133.10112	0.4
141.06996	2.7
142.07802	0.9
143.08546	1.4
144.05679	2.6
144.06596	0.2
145.04939	0.4
145.06464	1.8
146.07283	1.0
147.04356	0.4
147.08054	0.4
152.06075	0.2
153.05714	0.3
153.06982	0.8
155.06032	0.5
156.05688	0.3
157.06483	3.0
158.07204	0.7
159.08051	11.9
160.05118	0.2
160.08420	0.5
161.05934	0.9
161.09599	3.1
162.07611	0.7
167.04926	0.2
167.07033	2.4
169.06425	0.4
169.07622	1.3
170.07265	2.4
171.08043	2.5
171.09453	0.2
172.05232	1.0
173.05977	1.7
174.06729	0.8
175.07509	1.2
177.05446	0.4
178.06212	0.4
180.08690	0.8
181.04890	0.2
181.06392	0.2
181.08765	0.2
185.05948	0.4
186.06793	0.3
187.07541	9.1
188.08076	0.7
189.05473	0.6
189.09106	4.1
190.06265	0.5
190.09451	0.2
191.06985	0.9
192.07768	0.4
193.08548	0.4
198.06679	0.9
199.07507	1.1
201.05453	0.6
203.07004	2.0
204.07822	5.8
205.08636	1.0
206.09366	0.6
207.10123	0.5
216.07803	1.6
217.08536	0.7
218.09378	0.6
219.10184	2.0
221.08087	0.5
221.11731	1.6
231.10173	3.7
234.08887	0.5
237.11131	0.9
242.08316	0.2
249.11215	100.0
250.11566	4.9
267.12344	0.9
292.58047	0.2
294.08621	0.2
297.88580	0.2
345.99948	0.2
372.11646	0.3
390.38483	0.2
404.14075	0.2
610.79541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.2
67.05467	0.2
69.03413	0.7
70.06586	0.6
70.19026	0.5
74.77776	0.2
79.05467	0.3
81.03393	0.3
84.04507	0.2
84.08141	0.3
84.98091	0.2
85.02902	1.8
86.09705	0.2
87.04491	0.2
91.05484	1.4
97.02906	0.9
101.07129	0.2
103.05456	0.2
105.07021	0.8
107.04942	0.7
115.05439	1.2
116.06222	0.6
117.07015	1.1
119.04957	0.3
121.06494	0.3
127.03926	0.2
128.06216	1.7
129.07010	4.8
131.04895	0.5
131.08568	6.5
132.05711	0.3
132.08885	0.3
133.06499	1.0
133.10159	0.3
141.07002	1.8
142.07732	0.5
143.04860	0.3
143.08598	1.2
144.05704	2.5
144.06717	0.3
145.06477	1.7
146.07291	0.8
147.04408	0.6
147.08023	0.3
149.05910	0.2
152.06187	0.2
153.05513	0.2
153.06964	0.5
155.04944	0.2
155.06058	0.5
156.05669	0.4
157.06496	3.0
158.07207	0.3
159.08055	11.4
160.08453	0.3
161.05959	0.9
161.09630	3.0
162.07611	0.2
163.07564	0.2
167.04849	0.2
167.07027	1.2
169.06349	0.3
169.07657	1.1
170.07291	2.2
171.04358	0.2
171.08032	2.3
172.05202	1.1
173.05972	1.5
174.06714	0.8
175.07504	0.9
177.05563	0.4
178.06258	0.6
180.08781	0.2
184.05034	0.2
185.05916	0.4
187.07547	8.7
188.08208	0.7
189.05478	0.6
189.09097	3.9
190.06195	0.4
191.07065	0.4
192.07771	0.4
193.08548	0.5
198.06741	0.6
199.07509	1.2
200.08203	0.2
201.05496	0.6
203.07074	1.2
204.07828	5.1
205.08633	0.8
206.09404	0.5
207.10080	0.3
209.08154	0.4
216.07779	1.6
217.08569	0.4
218.09312	0.5
219.06490	0.6
219.10130	1.9
221.08157	0.4
221.11729	1.7
231.10156	3.4
233.11806	0.4
234.08795	0.4
237.11160	0.7
249.11215	100.0
250.11557	5.1
267.12265	2.6
276.60483	0.2
305.05304	0.2
372.29037	0.2
411.16302	0.4
473.28436	0.2
600.23181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
55.01869	0.9
55.05515	12.0
57.03442	0.6
65.03934	0.6
67.05504	1.9
68.99825	0.5
69.01440	3.7
69.03447	2.7
69.07050	0.4
71.05003	2.6
72.75785	0.4
73.02892	0.4
79.05490	4.3
81.03432	2.8
81.07054	1.5
83.04984	100.0
84.05297	1.8
85.02911	4.3
87.00825	2.2
91.05486	10.2
93.03400	0.5
93.07053	1.7
95.04963	4.3
95.08621	0.5
97.02883	3.3
97.06521	0.5
99.04469	1.0
101.06026	1.3
103.05474	1.3
105.01882	2.1
105.03406	0.4
105.07034	3.2
107.04955	0.8
107.08580	0.6
109.02880	4.3
109.06544	0.6
111.32453	0.4
115.05450	7.9
116.06290	0.8
117.07032	7.3
119.04942	0.8
119.08607	0.6
121.06525	1.3
127.03925	4.1
127.05419	0.8
128.06235	9.3
129.01891	0.8
129.07016	13.6
130.07750	0.9
131.08601	1.9
133.06512	1.1
133.10127	0.9
135.08075	0.7
141.06989	7.3
142.07790	5.3
143.08607	3.6
145.04990	1.1
145.06467	2.1
145.10153	0.9
147.02866	0.6
147.08032	0.8
152.06235	0.8
153.06981	3.7
154.07793	1.2
155.06097	1.1
155.08571	5.0
156.09366	3.1
157.06512	0.9
157.10112	5.7
158.07294	1.6
159.02931	0.7
159.08131	0.6
165.06993	5.6
165.08231	0.5
165.74205	0.5
166.07768	3.9
167.07024	0.4
169.06526	0.7
171.08092	2.6
171.11725	0.8
173.09731	0.7
181.10164	1.1
183.08130	0.7
184.08858	1.1
191.07045	0.6
195.11717	0.5
199.11197	6.6
213.03996	0.7
214.60327	0.4
217.12164	2.0
223.11453	0.4
231.05080	1.5
286.04779	0.5
287.05240	0.6
288.05698	0.8
299.16415	21.2
300.16800	1.5
309.39966	0.4
317.17444	1.2
331.10251	6.1
387.40634	0.5
438.11050	0.6
442.40451	0.4
530.31842	0.5
601.32391	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	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01868	1.4
55.05517	3.8
56.05036	1.2
57.07065	1.0
58.99291	1.3
58.99589	20.6
67.05513	9.6
69.03444	0.7
69.07062	6.1
69.52620	4.0
71.04982	0.9
73.01127	1.0
76.02229	73.7
76.03986	2.0
78.88302	0.7
79.05489	7.2
80.05001	0.8
81.07061	10.6
81.18694	0.6
83.04980	3.1
83.06105	1.9
83.08601	0.9
84.04505	11.8
86.99049	4.0
88.02234	1.9
91.05472	8.5
93.07047	9.2
95.04957	1.5
95.08604	7.8
97.06505	1.8
99.05595	0.8
102.05569	0.8
105.07025	9.5
107.04952	2.5
107.08595	6.2
109.06520	4.1
109.10117	3.9
116.01677	20.1
117.07013	2.7
119.08566	4.4
121.06499	3.0
121.10136	3.6
123.08067	2.0
123.11700	1.1
129.06683	1.4
130.04974	5.4
131.08569	6.0
133.06474	1.6
133.10117	5.6
135.08060	1.7
135.11665	2.2
136.08218	0.8
137.09555	1.0
142.03238	5.6
143.08543	1.4
144.01135	11.9
145.06169	0.8
145.10135	5.2
147.08061	1.4
147.11682	5.4
149.09605	2.2
149.13280	1.1
151.03893	2.1
151.11203	1.8
153.06667	0.9
157.10150	1.2
159.11739	3.4
161.09610	1.9
161.13234	1.2
162.02203	41.1
163.11162	1.5
167.06958	0.9
170.02696	2.7
171.11734	1.1
173.13284	2.5
175.11078	1.0
179.04852	100.0
180.05157	1.7
183.11668	1.6
187.05394	2.1
191.14253	0.8
201.12733	1.1
207.13766	2.5
215.04909	1.9
215.18025	0.9
217.24219	0.8
219.13797	1.9
224.17531	0.7
225.64961	0.7
229.19563	0.9
233.05917	13.2
245.05923	3.5
257.19006	3.6
273.18469	3.0
275.20041	30.4
276.20483	1.2
291.06400	2.8
291.19516	2.5
293.21097	20.0
294.21475	1.1
308.09097	25.8
368.22488	7.7
453.24078	4.6
525.26312	4.0
589.90100	0.8
600.29559	5.7
601.29022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.0
55.01865	2.7
55.05511	15.1
57.07082	13.4
59.05003	3.2
65.03945	3.5
67.05507	22.9
69.03508	12.9
69.07070	16.8
70.06585	5.6
71.05001	4.1
77.03901	2.7
79.05494	31.5
79.15246	1.7
81.07066	36.2
83.04977	15.3
83.08623	8.2
85.06535	7.1
89.06026	9.8
91.05488	51.6
93.07050	69.1
94.13592	1.7
95.04983	20.8
95.08614	31.6
97.06538	12.1
97.10144	2.0
103.05464	4.4
105.07035	100.0
106.07862	3.1
107.04953	4.9
107.08601	54.3
109.06518	21.9
109.10153	15.4
111.04452	1.9
111.08067	6.8
115.05453	6.8
116.06264	3.5
116.07113	4.9
117.07015	20.9
119.06094	2.7
119.08585	79.2
120.09400	4.0
121.06493	13.1
121.10146	49.4
122.07398	2.6
122.10563	1.9
123.08083	25.7
123.11713	5.8
125.06003	6.2
125.09623	6.2
128.06224	17.1
129.07022	22.5
130.07822	9.6
131.08578	45.7
132.09401	2.7
133.06509	8.9
133.08601	4.5
133.10141	43.3
134.10620	1.6
135.08066	24.9
135.11696	12.9
137.06017	4.6
137.09639	13.7
138.13022	1.8
139.11240	4.8
141.06966	9.7
142.07787	27.1
143.08574	49.8
144.09370	14.8
145.06456	6.4
145.10126	55.4
146.10733	2.8
147.08046	36.9
147.11713	14.9
148.08492	2.2
149.09634	18.9
151.07567	19.2
151.11174	3.9
153.07018	3.8
153.09116	2.3
154.07748	2.5
155.08549	19.1
156.09351	17.1
157.10136	74.9
157.11433	4.1
158.10892	11.8
159.08046	14.8
159.11696	36.1
160.08842	2.6
161.09644	20.9
161.13278	7.3
163.07651	2.4
163.11186	17.4
165.06964	5.3
165.09123	41.8
165.75842	1.6
166.07761	4.7
167.08527	10.4
167.10701	15.7
168.09367	5.6
169.07756	1.8
169.10149	28.9
170.10968	10.9
171.08069	6.7
171.11700	37.2
172.08900	2.9
172.12456	6.9
173.09599	11.4
173.13266	14.2
174.10439	4.4
175.11150	23.6
175.14859	5.1
177.12743	4.2
178.07776	3.0
178.09967	2.6
179.08589	9.7
179.10693	3.5
180.09351	6.4
180.11510	2.2
181.10139	15.8
181.12216	12.3
182.10916	8.5
183.11696	24.6
184.12447	4.3
185.09662	8.0
185.13235	22.3
186.13942	2.7
187.11195	10.3
187.14827	5.2
189.12794	15.0
190.13461	10.3
191.10652	3.8
191.14276	6.1
192.09315	3.8
193.10310	13.7
193.11977	11.7
194.10883	10.4
195.07977	2.6
195.11719	25.9
195.13576	3.0
196.12468	8.3
197.09656	5.3
197.11694	4.4
197.13268	19.1
198.10419	4.6
198.13940	2.7
199.11195	9.1
199.14828	7.0
200.11783	2.8
201.12744	9.5
203.14337	29.4
205.10106	4.9
205.12227	3.4
205.15787	1.9
206.10867	7.3
207.11685	16.1
207.13823	17.0
208.12427	6.9
208.14586	10.9
209.13261	20.3
209.15393	4.7
210.14017	3.9
211.11177	6.3
211.14781	14.2
212.11969	3.6
212.15495	2.1
213.12752	8.5
213.16399	2.6
215.10745	4.0
215.14314	5.0
217.10213	2.6
217.12283	2.6
217.15826	2.3
218.10883	4.2
218.16653	3.5
219.11664	4.3
219.13780	7.1
220.12480	5.9
221.13252	14.7
221.15329	85.4
222.13873	2.8
222.15845	3.8
223.11127	4.7
223.14854	10.0
224.15376	2.1
225.12729	7.6
225.16397	6.2
226.13489	2.2
227.14308	3.8
229.12347	4.4
229.15799	4.3
231.11728	4.2
231.13824	2.8
232.12523	4.4
233.13231	5.9
233.15396	18.9
234.14017	3.5
234.16121	11.2
235.14870	11.4
235.16840	2.3
236.15466	2.4
237.12703	6.7
237.14693	32.8
239.14345	5.3
239.17984	3.8
241.15807	4.7
243.13873	2.4
244.12386	2.4
245.13245	3.7
246.14059	2.7
247.14735	4.9
247.16960	8.7
248.13927	10.1
249.12764	2.5
249.16313	9.6
250.15538	2.7
251.14235	3.2
251.18250	2.4
253.15916	8.5
255.17479	24.4
257.18961	2.3
259.14636	3.4
259.16977	5.0
261.16391	7.6
263.17935	4.9
265.19516	3.3
267.17352	2.8
268.18219	3.6
269.18964	3.8
270.19873	5.7
271.17154	9.4
273.18625	5.1
274.19296	8.3
277.15842	3.1
277.19354	2.7
279.17444	6.3
281.19009	5.9
282.19547	2.2
285.18515	7.0
286.19278	11.7
287.20059	8.3
291.17529	1.9
294.19751	3.1
294.69458	1.9
295.20435	3.1
297.18558	6.3
299.20224	12.4
300.20892	3.1
303.19522	49.4
304.19962	2.3
307.20584	2.2
311.20090	3.2
312.20770	6.6
313.21783	15.7
325.21686	16.2
333.22333	2.1
337.21744	12.6
339.28909	2.8
351.23303	2.2
352.23972	88.0
353.24469	6.6
365.24844	19.9
377.24677	5.2
383.25558	4.8
397.57410	2.1
454.30228	2.6
487.32108	3.5
502.34457	11.4
503.34875	5.3
505.32834	5.8
507.34973	10.1
520.35419	39.6
521.35632	5.3
582.40826	2.1
583.41016	2.1
585.39038	4.4
599.28894	2.3
600.41388	10.5
601.42218	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63111	1.7
53.03954	4.5
55.01875	2.4
55.05510	15.8
57.07086	10.7
59.04998	3.1
65.03942	7.4
65.22143	1.8
65.96643	1.8
67.05504	30.2
69.03428	17.7
69.07076	15.1
69.09561	5.0
69.09975	13.6
71.05012	3.9
79.05493	34.2
80.06278	2.5
81.07063	37.2
83.04986	16.7
83.08603	11.3
85.06566	7.6
87.04472	2.9
89.06046	6.1
91.05478	58.0
93.07041	63.1
95.04962	23.2
95.08611	35.1
96.05760	2.2
97.06532	13.9
98.23371	4.3
103.05465	3.3
104.65822	2.1
105.07033	100.0
107.04954	2.3
107.08594	66.2
108.05805	2.4
109.06510	19.2
109.10159	26.3
111.08078	6.6
113.09643	3.7
115.05415	9.5
116.06216	2.1
117.07028	19.7
119.08578	91.4
120.09400	2.8
121.06528	18.6
121.10140	48.3
123.08064	32.7
123.11722	4.5
125.05977	3.7
125.09619	9.9
128.06218	20.2
129.07025	25.0
130.07826	9.4
131.08565	48.3
131.09482	3.5
132.09354	4.4
133.06522	8.2
133.08606	4.6
133.10133	42.6
135.08063	25.7
135.11665	10.1
137.09613	9.3
139.11128	2.2
141.06961	13.9
142.07777	35.1
142.56752	2.0
143.08568	54.4
144.09344	15.5
145.06488	6.9
145.10130	69.5
146.10832	3.1
147.08041	24.2
147.11687	17.6
149.09619	13.6
149.55922	2.1
151.07545	12.5
153.06978	5.0
154.07751	4.7
155.08528	24.8
155.10696	6.5
156.09348	25.6
157.10126	74.4
157.11430	3.6
158.10931	10.9
159.08075	19.8
159.11691	42.4
160.08841	6.6
161.09608	16.5
161.13277	6.7
163.11182	13.1
165.07004	5.6
165.09131	20.4
165.12817	2.9
166.07751	4.7
166.09370	2.1
167.08546	15.0
167.10677	15.7
168.09372	9.6
169.10133	34.9
170.10925	13.2
171.08107	4.0
171.11693	43.4
172.08806	3.6
172.12332	5.8
173.09647	11.6
173.13248	22.2
175.11191	25.2
175.14851	4.5
177.09047	2.0
177.12726	3.4
178.07770	2.8
179.08528	15.5
179.10704	2.5
180.09351	8.7
181.10143	23.2
181.12248	7.8
182.10934	14.9
183.11694	32.0
184.12471	7.0
185.09653	6.8
185.13249	26.7
186.13788	2.3
187.11191	8.8
187.14818	7.9
189.12709	12.4
190.13466	5.9
191.10681	2.8
191.14357	4.7
192.09399	6.4
193.10181	18.7
193.12122	3.9
194.10960	9.4
195.11700	26.8
196.12421	11.7
197.09660	6.8
197.11562	3.4
197.13246	31.2
198.10426	3.2
198.13965	3.7
199.11240	6.8
199.14827	13.6
201.12723	8.1
203.14320	17.1
205.10141	6.5
206.10928	4.0
207.11700	21.1
207.13811	7.1
208.12439	9.8
208.14500	3.3
209.13245	30.8
210.14008	5.8
211.11235	5.9
211.14793	22.0
212.15552	3.5
213.12787	7.2
213.16435	5.7
215.14333	7.7
217.15935	2.7
218.10899	3.2
219.11676	9.3
219.13742	4.3
220.12448	7.2
221.09734	2.8
221.13264	17.5
221.15402	41.4
222.13908	4.5
223.11292	4.4
223.14821	19.5
224.15395	2.4
225.12752	7.0
225.16386	8.6
227.14346	6.4
229.15802	2.7
230.10947	4.3
231.11765	5.4
232.12436	3.4
233.13216	7.6
233.15408	24.4
234.14117	3.6
234.16112	7.6
235.14685	11.1
236.15567	4.1
237.12708	3.7
237.14702	5.7
237.16463	8.8
239.14188	3.5
239.18034	3.6
241.15944	4.0
243.11707	3.6
245.13254	5.9
245.15497	2.7
246.13991	5.7
247.14835	9.6
247.17029	4.8
249.16386	8.0
251.14362	2.3
251.18069	4.9
253.15912	6.9
255.17436	29.9
258.13928	3.0
259.14832	4.5
261.16379	8.2
263.14404	2.2
263.17957	7.0
265.15952	3.4
265.19598	4.6
267.17429	5.6
268.18192	2.3
269.18906	5.6
270.19836	4.7
271.17123	4.8
273.16071	2.9
273.18536	5.9
274.19315	3.4
275.17941	5.5
277.16211	2.3
277.19629	3.2
279.17490	4.1
281.19052	8.2
283.20566	2.3
285.18704	4.7
286.19287	5.5
287.20148	5.7
289.15564	2.2
289.19568	2.7
291.17490	3.0
291.20944	2.4
293.18924	2.6
294.19934	2.4
295.20599	6.3
297.18475	3.9
299.20108	5.9
303.19479	14.9
307.20569	3.0
309.22122	3.1
311.19986	3.0
313.21512	4.3
325.21622	7.8
337.21716	4.7
347.23761	3.2
352.23978	28.1
361.21573	2.2
365.24579	10.6
383.25781	7.1
502.34552	3.0
503.35211	3.2
507.34644	4.6
520.35321	9.3
521.35651	2.8
567.38257	2.5
582.39642	2.5
600.41260	11.5
601.42285	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97174	1.9
53.03939	6.9
54.26175	2.6
55.01860	3.4
55.05505	9.7
57.07079	15.7
57.83583	2.0
58.62467	2.2
59.05010	3.6
65.03941	4.5
67.05231	2.4
67.05508	26.0
69.03431	16.7
69.07072	12.9
69.07845	12.9
69.08247	3.9
71.05012	3.1
77.03917	2.4
79.05495	30.0
80.98869	2.2
81.03400	2.5
81.07056	36.6
83.04986	16.6
83.08614	9.2
85.02891	2.3
85.06542	5.1
89.06033	5.3
91.05484	53.3
93.07047	66.6
95.04976	13.6
95.05468	2.1
95.08614	38.0
97.06534	9.8
103.05472	4.4
103.64081	2.7
105.07036	84.6
107.04953	4.3
107.08595	50.6
107.09295	4.9
109.06518	23.2
109.10127	15.5
110.91944	2.2
111.08077	5.5
115.00892	2.2
115.05441	5.8
117.07027	23.2
119.08588	68.9
119.09444	3.6
120.09409	3.8
121.06536	16.3
121.10146	45.3
122.07249	2.3
123.08074	30.5
123.11760	2.4
125.05999	4.3
125.09598	5.9
127.14984	2.0
128.06204	6.2
129.07007	27.8
130.07765	7.2
131.08563	43.7
132.09308	3.1
133.06482	8.1
133.08583	3.8
133.10123	41.8
135.08051	27.7
135.11699	14.3
137.05998	5.6
137.09615	16.7
139.07570	3.1
139.11127	3.2
140.06664	2.3
141.06970	12.9
142.07793	26.8
143.08577	54.0
144.09363	14.2
145.06450	6.7
145.10121	63.9
146.07306	4.0
146.10802	5.0
147.08044	45.6
147.11708	15.0
148.08507	3.2
149.09589	19.6
151.07552	22.7
151.11101	4.1
153.06987	5.4
153.09129	3.5
155.08601	17.0
156.09309	16.5
157.10136	65.6
158.10919	14.3
159.08078	18.3
159.11699	38.7
160.08800	2.5
161.09639	28.1
161.13240	6.6
162.10454	2.9
163.11179	18.4
165.06967	7.1
165.09119	46.1
166.07724	2.6
166.09373	2.9
167.08568	9.5
167.10715	14.2
168.09360	7.8
169.10124	30.3
170.10930	10.6
171.08063	6.8
171.11693	35.4
172.12453	9.2
173.09697	10.6
173.13278	19.4
174.10347	3.4
175.11191	28.4
175.14799	4.9
177.09148	4.3
177.12816	4.4
179.08559	8.1
179.10580	5.6
180.09286	8.6
180.11450	2.7
181.10081	13.7
181.12238	13.3
182.10909	7.5
183.11670	25.8
184.12428	5.6
185.09651	8.8
185.13255	22.6
186.14024	4.5
187.11166	8.7
187.14853	7.4
189.12744	14.9
190.13501	11.6
191.10735	5.1
191.14294	4.9
192.09265	3.2
193.10158	12.4
193.12257	14.7
194.10858	10.0
195.11761	24.0
195.13657	4.9
196.12439	9.0
197.09659	6.0
197.11688	5.8
197.13246	21.6
198.10385	3.8
198.13948	3.0
199.11086	5.8
199.14842	14.0
200.15572	3.3
201.12741	8.1
203.14323	25.3
205.10222	4.8
205.11966	3.0
206.10966	5.6
207.11699	14.8
207.13808	15.4
208.12447	9.7
208.14539	7.0
209.13272	20.6
209.15279	5.4
210.13940	3.0
211.11163	8.5
211.14810	12.6
212.15672	2.4
213.12686	12.3
214.13353	2.5
215.14330	7.7
217.15735	4.0
218.10898	3.6
219.11700	9.3
219.13811	7.0
220.12488	5.5
221.13278	12.6
221.15346	100.0
222.13963	3.3
222.15862	4.7
223.11240	5.9
223.14803	12.6
225.12744	6.2
225.16423	7.7
226.13553	2.9
227.14374	4.2
229.12231	2.5
231.11740	3.2
232.12453	3.5
233.13281	8.1
233.15364	20.7
234.13957	5.1
234.16103	10.1
235.14801	9.3
235.16882	3.7
237.12648	4.1
237.14684	36.5
239.14281	6.5
239.18111	3.8
243.13835	3.7
245.13229	4.4
245.15433	3.4
247.14827	4.0
247.16954	11.1
248.13951	16.0
249.12462	2.6
249.16423	8.1
250.15588	4.2
251.14088	5.1
251.16367	3.5
253.15817	9.2
253.19261	2.1
255.17383	20.2
259.14743	3.8
259.17105	4.6
261.16354	8.0
263.18030	4.5
265.15912	3.8
265.19501	2.9
267.17270	2.6
269.15482	2.3
269.18954	3.9
270.19629	4.2
271.16898	6.2
273.18683	5.1
274.19333	9.0
279.17383	6.9
281.18973	6.6
282.19711	3.1
285.18497	6.0
286.19357	12.6
287.20114	12.1
289.19623	3.1
291.17548	3.9
291.20911	2.5
294.19717	8.6
295.20404	5.4
297.18530	5.6
299.20169	13.9
300.20792	3.8
303.19547	60.7
304.19684	3.3
309.18521	2.7
311.20071	3.8
312.20822	5.3
313.21747	13.0
319.20700	5.5
325.21634	15.0
337.21646	11.1
347.23672	3.1
351.23059	2.9
352.23947	89.7
353.24133	5.2
359.23740	3.2
365.24710	22.6
377.24902	4.6
419.29401	2.9
420.30249	5.4
487.32095	4.5
502.34561	7.6
503.35098	4.7
505.32822	5.2
507.34842	11.9
520.35431	39.2
521.35834	4.3
583.41125	4.2
585.38995	5.3
600.41669	15.6
601.42181	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	601.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
55.01879	0.7
55.05517	1.5
57.03451	0.7
60.97401	0.4
61.02945	0.5
67.05508	1.5
67.63554	0.4
69.03444	1.9
69.07084	1.1
71.04996	0.7
71.30854	0.5
79.05500	1.7
81.03412	0.8
81.07061	2.6
83.05016	1.1
85.02906	3.1
85.06559	1.3
86.06092	2.3
87.00858	0.8
91.05502	1.5
93.07064	2.2
95.04987	1.1
95.08624	2.1
96.08171	0.8
97.02911	1.9
98.09730	0.7
99.04442	0.9
105.07047	1.8
107.08635	2.1
109.02879	1.0
109.06522	0.9
109.10159	1.4
115.03809	0.5
115.05949	0.5
116.10735	4.9
119.08624	1.7
121.10181	1.4
123.08022	0.6
123.11701	0.5
125.09641	0.8
127.03946	1.6
129.07034	0.5
131.08612	0.9
131.50450	0.5
133.10159	1.5
135.08061	0.7
135.11705	1.2
143.08624	0.8
145.04988	1.1
145.10161	1.3
147.11710	1.3
149.09726	0.6
155.08600	0.9
157.10197	0.8
161.09644	0.8
161.13271	0.8
165.09196	0.7
171.02916	0.6
171.11807	0.5
173.09668	1.3
185.04320	0.8
191.10709	0.6
199.14890	0.7
201.03746	0.7
214.18112	2.0
233.15498	0.7
255.21167	0.6
259.08139	0.9
287.05536	1.2
309.24255	0.9
324.21820	1.2
326.23450	0.5
331.10123	1.4
342.22845	5.4
436.70782	0.6
439.26770	2.1
440.30133	1.5
443.22479	1.2
461.20087	0.6
471.21982	1.4
504.28299	0.8
571.30829	0.8
601.32013	100.0
602.32471	9.4
617.69196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55722	1.8
53.03940	3.0
55.05511	10.3
57.07083	10.5
59.04998	1.7
65.03894	1.7
67.05505	18.7
67.56544	1.7
69.03427	6.1
69.07072	9.1
69.23640	9.7
71.04970	2.0
79.05501	16.5
79.13297	1.9
81.07068	22.2
82.14217	1.7
83.04985	4.2
83.08621	4.5
85.06541	4.7
90.22527	1.7
91.05486	24.5
93.07049	37.3
95.04959	9.3
95.08608	25.3
96.08955	2.4
97.03043	1.6
97.06542	3.1
97.80370	2.3
98.22522	3.5
103.05489	2.1
105.04575	2.6
105.07033	40.3
106.07348	3.6
107.08599	22.7
109.06535	10.2
109.10166	12.7
111.08139	2.1
115.05464	4.5
116.06255	2.9
117.07023	9.0
119.08579	40.3
120.08923	2.7
121.06512	6.0
121.10157	24.6
122.10516	2.6
123.08081	14.8
123.11706	3.2
125.05986	4.5
125.68648	2.0
128.06273	2.9
129.07013	6.2
130.07762	4.0
131.08566	18.0
133.10129	21.4
135.08064	10.4
135.11700	7.8
137.09631	12.5
141.07004	4.1
142.07774	6.5
143.08594	15.1
144.09239	3.4
145.10124	25.7
146.10509	6.0
147.08055	20.1
147.11697	6.7
148.08391	3.0
149.09647	7.7
149.13374	2.3
151.07564	12.7
155.08592	6.6
156.09354	7.0
157.10132	17.5
158.10725	3.0
159.08086	5.3
159.11694	16.1
161.09644	4.5
161.13254	4.3
162.10020	2.1
163.11169	8.8
165.07013	3.3
165.09119	41.6
166.09485	6.4
167.08592	3.5
168.09248	2.1
169.10109	11.4
170.10809	2.9
171.11714	12.4
173.09677	2.8
173.13272	7.0
175.11237	5.7
175.14886	5.8
176.11700	2.5
180.09286	4.0
181.10144	5.3
181.12177	9.3
182.08824	1.7
182.10771	3.7
182.12596	2.0
183.11731	8.4
184.12195	3.4
185.13283	7.5
185.35312	1.9
187.11206	4.1
187.14861	7.0
189.12762	5.2
191.10629	2.2
191.14264	4.3
193.10042	2.5
193.12279	2.6
194.10954	3.0
195.07893	2.0
195.11707	5.6
196.12424	2.4
197.13336	6.2
199.14740	3.5
201.12886	2.4
203.14339	15.7
207.11795	4.5
207.13887	7.4
208.12407	2.6
209.13272	5.6
209.15167	2.2
211.14873	5.3
213.12730	2.1
213.16145	2.5
221.13335	4.5
221.15358	100.0
222.15749	12.4
223.14857	3.4
225.12605	2.1
225.16348	3.6
227.14346	2.8
229.15822	1.8
234.16193	5.7
235.14651	2.5
235.16779	2.4
239.18030	2.0
247.16956	8.0
248.17442	3.1
251.17966	3.0
254.69518	1.9
259.17160	2.4
265.19626	2.2
274.19318	3.3
285.18643	3.0
286.19217	4.1
287.20105	8.3
299.20117	4.2
300.20667	5.8
301.21637	3.9
311.19904	2.6
312.20767	2.5
313.21399	2.9
326.22037	3.3
340.23859	2.5
352.24332	3.7
353.24304	6.3
366.24991	2.3
367.26392	8.8
393.27753	1.8
399.28723	2.4
419.29385	2.0
420.30173	2.9
421.31671	2.0
426.27612	2.4
428.28925	2.9
440.29233	3.1
441.29330	8.4
443.98981	2.3
477.13718	2.1
487.13235	2.0
491.35257	9.0
509.35916	6.0
521.35815	14.0
583.41125	11.1
601.42474	38.6
601.51691	6.8
602.42413	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.6
55.01892	3.5
55.03744	3.2
55.04020	3.4
55.05516	15.3
57.07074	11.9
59.05001	5.2
65.03956	5.5
67.05508	35.2
67.62212	3.7
69.03439	14.7
69.07085	17.2
70.82827	3.0
71.05057	3.6
72.28788	3.1
79.05500	36.1
81.07061	54.1
83.04967	16.2
83.08616	9.2
84.50822	3.2
85.06560	7.8
89.06049	4.9
91.05490	59.9
92.05796	5.4
93.07052	84.4
94.07389	4.6
95.04971	21.9
95.08613	46.3
96.05314	3.3
97.06537	10.3
98.22546	8.0
103.05511	6.9
105.07034	100.0
106.07372	11.3
107.04968	4.7
107.08611	51.0
109.06525	22.2
109.10193	24.9
111.08076	5.2
115.05435	6.1
117.06999	17.1
119.08586	79.4
120.08934	12.2
121.06542	13.6
121.10152	52.7
122.10510	5.7
123.08097	25.3
123.11724	9.0
124.08465	3.9
125.06013	9.0
125.09637	8.1
128.06258	11.7
129.07050	21.1
130.07851	5.8
131.08562	37.1
132.09103	3.3
133.06520	4.6
133.10139	50.8
134.10498	4.4
135.08067	21.7
135.11731	21.0
136.08400	6.1
137.06029	4.3
137.09612	16.4
139.11250	4.6
141.07028	10.8
142.07793	22.4
143.08575	42.8
144.09123	7.6
145.10130	74.1
146.10568	10.9
147.08064	29.9
147.11668	20.3
148.08473	6.6
148.12131	4.3
149.09656	14.3
149.13211	4.7
151.07570	19.1
153.06949	3.2
154.07764	3.7
155.07509	3.2
155.08569	21.5
155.10660	3.5
156.09346	14.8
157.10132	60.8
158.10660	13.1
159.08099	13.6
159.11725	42.1
160.12080	5.9
161.09662	12.9
161.13330	14.2
163.11208	16.7
165.06976	9.0
165.09106	52.9
166.09485	3.7
167.08553	4.9
167.10684	19.3
168.09288	5.1
169.10123	22.4
170.10725	11.3
171.11700	31.0
172.12134	7.2
173.09731	6.3
173.13304	21.4
174.13689	4.7
175.09859	4.0
175.11118	16.6
175.14828	9.2
177.12845	6.4
179.08461	8.4
180.09190	4.3
181.10147	14.9
181.12282	9.3
182.10892	10.8
183.11693	23.7
184.12250	6.5
185.09674	4.1
185.13271	19.0
186.13730	7.1
187.11244	9.7
187.14841	12.2
189.12810	8.8
190.13268	4.7
190.47780	3.4
191.14276	6.3
192.09250	4.9
193.10184	10.4
194.10825	8.5
195.11754	19.7
196.12273	4.9
197.13255	15.8
198.13838	5.2
199.11139	7.6
199.14857	15.1
201.12741	9.1
201.16455	4.6
203.14311	28.4
206.10913	3.6
207.11653	11.1
207.13817	12.8
208.12450	6.1
209.13240	16.5
209.15059	3.3
210.13887	7.6
211.14822	15.0
213.12711	5.7
213.16347	3.9
215.14342	5.1
219.11656	4.4
219.13741	4.0
221.13287	12.1
221.15340	88.9
222.13814	5.8
222.15729	19.8
223.14906	9.9
225.12799	5.5
225.16382	7.5
227.14404	5.2
229.57048	3.7
231.11816	3.9
233.13292	7.8
233.15427	13.9
234.13803	4.4
234.15929	8.5
235.14792	9.8
235.16867	5.3
236.15263	5.6
237.12778	6.7
237.14966	10.2
238.13237	4.7
238.15259	5.2
247.14893	4.5
247.17191	4.1
249.16516	6.9
255.17455	8.0
256.17850	4.9
261.16486	5.2
269.18747	3.6
269.96002	3.8
277.19586	4.5
281.19128	4.3
283.20425	6.7
285.18643	7.1
286.19321	8.1
287.20071	8.4
295.20276	5.4
296.20877	4.8
300.20941	17.0
301.21848	4.8
303.19672	9.8
304.20059	6.8
311.20132	3.8
312.20538	4.5
313.21588	4.2
314.21957	7.0
327.09055	3.5
352.24008	13.7
353.24371	25.5
365.24988	5.6
367.25775	3.6
375.26721	4.9
377.24747	4.2
380.83325	3.8
450.42175	3.7
491.35471	6.3
503.35074	5.6
508.34982	5.4
521.36188	19.9
565.40033	3.9
576.77026	3.5
583.41382	12.5
601.42719	45.0
602.41864	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.05517	7.3
57.07079	10.1
59.04996	2.8
65.03934	1.9
67.05504	14.6
69.03436	8.4
69.07070	7.4
69.30618	7.7
72.04510	1.4
79.05497	16.4
81.03436	1.8
81.07063	19.4
83.04984	4.3
83.08627	3.6
85.06540	4.4
91.05482	27.1
92.05820	2.3
93.07043	30.5
94.07395	2.7
95.04967	8.9
95.08614	23.4
96.08931	1.8
97.06534	4.2
98.23320	2.3
103.05474	3.2
105.04555	1.6
105.07036	42.8
106.07375	2.9
107.04973	2.0
107.08606	19.6
108.08926	2.2
109.06528	9.2
109.10157	11.0
111.08148	2.0
115.05481	2.5
117.07037	8.5
119.04932	1.3
119.08588	46.2
120.08942	4.3
121.06495	5.7
121.10155	21.6
122.10490	2.3
123.08088	17.8
123.11708	2.4
125.06024	5.1
125.09641	1.8
128.06239	4.8
129.07030	7.0
130.07825	3.1
131.08569	15.7
132.08929	2.5
133.06494	2.9
133.10146	23.6
134.10429	2.0
135.08083	12.6
135.11731	6.8
136.08484	1.5
137.09631	17.0
139.07556	2.2
141.06995	3.0
142.07811	8.6
143.08586	16.1
144.09282	5.0
145.06413	1.5
145.10132	34.0
146.10510	3.0
147.08061	21.4
147.11685	7.2
149.09660	6.0
149.13280	1.5
151.07533	14.0
151.11177	1.5
152.06186	1.3
155.08626	7.7
156.09273	5.2
157.10127	19.8
158.10796	4.7
159.08035	3.3
159.11723	17.6
160.12154	1.8
161.09630	5.8
161.13268	4.5
163.11203	9.9
164.11526	1.4
165.07025	2.0
165.09119	47.8
166.09467	4.5
167.08632	3.6
167.10664	1.4
168.09315	2.7
169.10132	8.9
170.10875	3.1
171.11705	13.2
172.12233	2.3
173.09631	2.9
173.13260	6.9
175.11227	4.4
175.14871	4.5
177.09189	2.5
179.08537	4.4
179.10663	2.7
181.10091	2.8
181.12247	11.0
182.10876	4.4
182.12505	1.6
183.11719	9.2
184.12349	3.7
185.09616	1.7
185.13321	8.8
187.11182	2.3
187.14835	4.6
189.12781	4.6
190.13489	2.2
191.14287	4.0
193.10143	4.9
193.12190	2.5
194.10823	3.1
194.12613	2.8
195.11717	5.7
195.13866	1.7
196.12291	1.5
197.09741	1.9
197.13318	7.2
198.13727	2.0
199.11111	3.2
199.14917	3.1
201.12738	3.0
201.16461	1.9
203.14328	18.4
204.14706	2.6
205.15901	1.6
206.11026	1.6
207.11699	4.9
207.13817	6.9
208.12462	1.8
208.14502	2.1
209.13251	8.0
209.15233	3.1
210.13667	2.1
211.11255	1.8
211.14784	4.9
213.12840	1.7
213.16345	1.8
215.14317	3.1
217.15979	1.8
219.13803	2.0
220.12286	1.9
221.13412	4.0
221.15372	100.0
222.14006	1.6
222.15775	12.5
223.14786	5.2
225.16408	3.6
227.14188	1.6
229.15729	1.4
231.11780	2.5
233.13206	2.5
233.15289	1.8
234.16153	4.5
235.14677	2.5
235.16779	2.1
237.16243	2.0
239.17651	1.8
245.13287	2.3
247.14723	3.2
247.17050	6.8
248.17336	3.4
251.14374	1.4
253.15862	2.8
265.19385	2.4
267.17337	1.7
271.17038	2.1
274.19296	2.5
275.19955	2.0
283.20551	2.4
286.19128	3.0
287.20029	5.8
299.20068	6.2
300.20575	2.8
301.21603	3.7
312.20612	3.6
313.21307	2.2
325.21643	2.9
326.21954	2.9
339.23367	1.5
340.23956	1.8
341.24164	1.6
349.25278	2.5
352.23935	5.8
353.24432	5.7
366.13977	1.2
366.25204	1.6
367.26175	5.9
375.26801	1.5
377.24921	1.4
388.25375	1.6
393.27917	3.3
421.30908	2.1
440.29214	4.5
441.29495	9.4
491.35184	7.7
509.36038	5.2
520.35675	2.2
521.36224	9.1
542.38037	1.4
583.41364	8.8
584.41888	3.6
601.42444	32.6
601.55676	3.9
602.42621	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
53.47828	1.6
54.24537	1.9
55.05505	10.1
57.07077	8.8
59.05006	3.9
65.03932	2.5
67.05501	13.1
69.03426	9.7
69.07073	9.9
69.44183	10.7
77.03920	2.0
79.05495	20.6
81.07054	23.9
83.05011	4.4
83.08646	2.5
85.06541	3.4
91.05476	30.7
91.06003	2.7
93.07042	44.0
95.04984	10.0
95.08611	25.6
97.06544	3.5
98.23249	2.8
105.04537	2.0
105.07030	52.5
107.08587	22.5
108.08895	1.9
109.06507	14.0
109.10152	10.2
111.08080	3.8
115.05481	3.9
116.06223	2.4
117.07025	11.9
119.08582	49.2
120.08923	2.5
121.06520	5.8
121.10149	27.1
123.08060	19.5
123.11724	3.8
125.06044	5.2
128.06238	5.4
129.07043	8.9
130.07796	5.0
131.08572	21.8
132.08900	1.8
133.10127	26.0
135.08044	16.6
135.11708	7.1
137.09624	17.9
141.06990	3.9
142.07774	8.1
143.08589	16.2
144.09282	4.4
145.10110	31.0
147.08043	31.9
147.11658	8.8
149.09625	6.5
151.07538	16.7
152.57816	2.0
154.07777	2.3
155.08527	5.0
156.09358	8.4
157.10136	25.9
158.10800	2.6
159.08070	3.9
159.11702	22.6
160.12190	2.2
161.09636	7.9
161.13243	8.6
162.10260	1.6
163.11163	11.0
165.06998	2.5
165.09109	56.7
166.09407	3.9
167.08594	4.7
168.09232	3.5
169.10089	15.1
170.10866	6.0
171.11707	14.6
173.09642	3.3
173.13293	8.2
175.11223	4.5
175.14862	6.5
179.08614	3.4
180.09268	4.1
181.10172	7.9
181.12248	9.9
182.10931	4.4
183.11668	12.9
185.13269	6.4
187.11217	4.1
187.14723	9.0
189.12839	5.8
191.14319	3.0
193.10085	4.5
193.12231	2.2
194.10863	3.4
195.11723	8.5
195.13664	1.9
196.12466	2.4
197.13275	12.3
199.11295	2.7
199.14842	2.7
201.12727	2.6
203.14273	21.1
204.14676	2.4
207.11765	5.2
207.13832	7.6
209.13252	8.4
209.15205	3.1
211.11235	2.3
211.14836	5.4
213.16389	3.0
221.13414	4.2
221.15358	100.0
222.15736	9.8
223.14821	6.5
225.16444	4.0
233.13329	3.4
235.14790	3.4
235.17014	2.4
237.16405	2.9
247.14716	2.2
247.17046	4.3
264.11536	2.2
286.19211	2.7
287.20010	6.2
297.22348	2.1
299.20029	3.0
300.21002	4.4
301.21576	5.2
311.20035	2.8
325.21399	2.6
340.24249	2.0
353.24426	4.0
367.26196	8.9
375.26614	2.7
393.27859	4.1
441.29495	3.0
491.35190	11.5
508.32648	2.1
509.36313	3.9
521.36011	5.4
583.41193	11.5
601.42529	32.9
602.42462	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.05502	22.4
57.07069	12.3
59.04985	4.8
65.03924	5.2
67.05507	40.1
69.03430	17.0
69.07067	27.6
69.22165	9.2
69.22582	19.5
71.04987	4.1
71.08612	4.5
79.05494	32.5
80.05829	3.7
81.07050	49.3
82.07382	6.1
83.04989	21.4
83.08619	12.9
85.06568	7.5
89.06036	31.3
90.92559	4.0
91.05481	65.7
92.05825	5.6
93.07040	79.1
94.07360	4.2
95.04932	23.5
95.08602	42.1
96.08920	5.4
97.06532	16.7
97.10187	4.0
103.05437	6.4
105.07028	100.0
106.07351	8.9
107.04982	4.1
107.08588	76.6
108.08939	5.5
109.06501	15.5
109.10146	34.9
111.08087	7.6
115.05497	6.2
117.07029	26.5
119.08578	93.9
120.08889	6.5
121.06490	18.5
121.10146	64.5
123.08081	20.6
123.11732	6.2
125.09655	8.9
128.06229	20.4
129.07019	23.9
130.07799	6.9
131.08572	39.6
133.06554	3.7
133.08592	12.3
133.10127	53.5
134.10486	6.2
135.08029	17.5
135.11708	23.3
136.11998	3.3
137.09605	10.8
139.11192	8.4
141.07018	7.3
141.34026	3.6
142.07814	21.7
143.08566	43.8
144.09105	7.8
145.06473	3.9
145.10124	70.2
146.10475	10.6
147.08058	15.3
147.11671	22.4
149.09624	18.9
151.07539	6.1
153.06982	8.6
154.07858	4.6
155.08531	20.5
155.10635	8.3
156.09335	14.9
156.96184	3.6
157.10129	50.6
158.10638	11.3
159.08060	14.7
159.11665	35.0
160.12029	6.7
161.09589	10.9
161.13248	9.9
163.11192	12.0
165.07010	8.9
165.09140	18.2
167.08519	8.9
167.10680	48.1
168.09352	11.1
169.10143	26.0
170.10849	10.8
171.11694	35.2
172.12202	5.3
173.09615	9.0
173.13185	18.7
174.13705	6.3
175.11217	8.3
175.14807	13.5
177.11284	5.4
179.08528	14.4
180.09261	11.7
181.10077	16.9
181.12283	5.4
182.10831	10.2
183.11670	34.7
184.12245	5.1
185.13287	21.9
186.13817	4.8
187.11079	5.7
187.14798	10.6
189.12752	10.3
193.10143	9.5
194.10835	9.2
195.11714	22.3
196.12326	8.5
197.09497	3.8
197.13248	29.2
199.11137	7.6
199.14813	11.8
200.15045	4.1
201.12679	6.5
201.16217	4.3
203.14342	13.4
204.14677	4.6
205.10254	4.1
207.11641	13.3
208.12251	8.2
209.13275	24.4
209.15134	6.6
210.13905	7.3
211.14819	13.6
212.15256	5.9
213.12654	5.8
215.14343	5.2
219.11609	4.0
221.13257	16.7
221.15388	29.4
222.13773	4.8
223.14810	13.3
224.15178	6.7
225.16447	13.0
231.11395	4.8
233.13214	8.8
233.15366	18.8
235.14868	9.6
236.15237	4.7
237.16386	7.9
237.90446	3.6
247.14729	9.0
248.15428	4.2
249.16452	8.7
250.16905	4.3
251.17926	5.5
255.17400	11.0
256.17770	6.5
257.56674	3.6
261.16357	7.0
263.17926	7.8
265.19424	5.1
269.19064	6.4
281.19061	4.9
283.20508	6.1
287.20374	6.1
300.20670	3.8
424.76898	3.7
491.35516	4.6
493.22653	4.0
583.41016	6.1
601.26038	7.2
601.42200	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	601.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.05501	6.6
56.86095	1.7
57.07078	7.7
59.04987	3.5
65.03948	2.0
67.05219	1.8
67.05508	18.1
69.03421	6.0
69.07063	8.4
69.26365	13.1
70.16929	1.5
71.04997	1.9
79.05486	14.9
81.07064	23.2
81.89972	1.5
83.04977	4.2
83.08621	4.4
84.94086	1.5
85.06534	6.4
89.29965	1.6
91.05486	24.2
92.05800	2.1
93.07048	32.1
95.04965	7.2
95.08601	24.8
97.06529	4.1
97.10145	2.1
98.80923	1.7
103.05410	1.8
105.06372	2.9
105.07031	40.3
106.07334	3.5
107.08604	23.7
109.06486	10.0
109.10168	11.3
111.08090	3.2
115.05473	2.0
117.07005	4.8
119.08585	39.6
120.08860	3.6
121.06477	4.9
121.10159	23.5
123.08067	16.8
123.11680	3.9
125.06009	4.6
125.09618	2.6
126.14465	2.0
128.06282	3.9
129.06999	7.6
130.07736	4.5
131.08577	14.8
133.10126	21.2
135.08064	12.2
135.11725	9.0
137.09607	9.6
141.07031	2.1
142.07777	6.9
143.08585	16.2
144.09256	2.6
145.10135	30.4
147.08054	19.4
147.11681	8.3
149.09613	7.3
149.13171	2.2
151.07556	12.5
154.07750	1.7
155.08569	4.8
156.09293	5.0
157.10132	21.0
158.10652	3.4
159.08073	3.0
159.11723	17.6
160.12071	3.1
161.09618	3.7
161.13257	6.9
163.11198	10.4
165.09126	42.8
166.09431	3.2
167.08560	2.2
169.10133	9.7
170.10876	3.3
171.11700	14.2
172.12206	2.1
173.09625	2.8
173.13266	8.7
175.11183	3.4
175.14790	6.3
181.10077	4.1
181.12277	8.8
182.10867	3.6
183.11697	12.9
185.13228	10.3
187.11163	3.0
187.14847	6.6
188.15224	1.7
189.12735	4.4
190.13611	2.5
191.14349	3.2
193.10095	2.7
195.11728	6.4
196.12468	3.0
197.13287	5.3
199.11134	2.6
199.14752	3.1
201.12886	2.0
203.14314	17.0
207.11801	4.1
207.13841	10.8
208.12447	1.8
208.14447	3.0
209.13322	7.3
209.15269	2.8
211.14848	5.7
213.12842	2.1
213.16220	2.3
215.14307	2.3
219.13678	1.7
221.13382	5.0
221.15352	100.0
222.13876	2.0
222.15805	10.7
223.14809	5.3
224.15395	3.1
233.13091	2.9
233.15237	2.2
234.21042	1.6
235.14743	3.9
235.16911	1.8
237.16354	2.0
247.14819	2.2
247.16985	5.8
249.16339	2.4
261.16205	1.9
265.19440	2.5
271.16827	2.3
274.19269	2.7
275.19666	1.9
283.20554	2.4
286.19214	3.4
287.19952	6.4
299.19736	4.1
300.20752	4.4
301.21555	6.0
312.20728	2.7
315.23499	1.8
325.21622	3.0
340.23740	2.2
352.23831	2.3
353.24500	4.0
367.26563	7.7
375.26764	2.8
381.20258	2.0
393.27631	3.5
426.20221	2.2
427.20667	3.8
427.28342	3.8
428.28448	2.7
430.28052	1.9
441.29550	4.9
453.22012	2.8
491.35123	12.0
509.36011	5.5
513.23724	2.5
514.24756	11.2
521.35938	6.4
522.36462	2.5
541.23370	9.7
542.22906	1.8
583.41394	12.0
584.41901	2.7
601.25897	25.9
601.42279	36.3
602.42493	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.1
55.05518	19.2
57.07088	7.6
67.05494	33.2
69.03436	13.2
69.07069	24.6
71.04980	6.4
71.32500	5.5
73.27996	4.4
75.90063	5.0
76.93227	5.3
77.91873	5.2
79.05492	43.3
81.07063	53.8
82.97244	5.0
83.05006	13.9
83.08619	16.1
85.06535	10.3
87.04484	6.8
89.06048	10.9
91.05481	60.6
92.05804	6.3
93.07051	70.4
94.07380	7.3
95.04989	19.4
95.08598	42.0
97.06549	16.7
97.10214	5.6
105.07034	87.3
106.07329	6.1
107.08608	53.1
108.08953	6.2
109.06534	20.1
109.10157	33.2
115.05464	5.9
117.07041	22.2
119.08580	100.0
121.06538	14.2
121.10174	56.5
123.08069	25.1
123.11707	8.3
124.08437	5.6
125.09678	11.2
128.06172	12.0
129.07011	20.2
130.07753	7.4
131.08575	47.3
133.06506	7.8
133.08632	7.3
133.10138	50.6
134.10553	5.3
135.08066	15.6
135.11703	20.3
137.09647	16.8
141.06972	9.7
142.07811	17.6
143.08574	43.8
144.09271	9.1
145.10132	78.1
146.10504	13.8
147.08041	16.3
147.11694	17.9
149.09683	24.6
151.07568	15.1
154.07790	7.8
155.08546	17.1
155.10623	6.6
156.09282	17.2
157.10138	59.0
158.10559	15.3
159.08028	12.6
159.11700	45.7
161.09601	12.6
161.13220	8.4
163.11221	9.0
165.07048	9.2
165.09106	36.1
166.07921	6.0
167.10715	30.8
168.09180	6.6
169.10173	25.7
170.10809	9.4
171.11687	31.9
172.12294	8.7
173.09679	8.3
173.13297	20.5
175.11211	10.6
175.14812	10.6
179.08563	8.7
181.10121	17.8
181.12256	7.7
182.10861	14.2
183.11778	24.2
184.12178	7.4
185.13289	11.7
187.11183	10.5
187.14789	12.1
189.12794	7.4
193.10117	15.9
194.10759	8.7
195.11707	18.9
196.12187	11.4
197.13220	23.5
199.14836	9.2
200.15144	5.9
201.12637	6.0
203.14371	12.1
207.11734	14.2
207.13754	6.9
209.13269	18.1
210.13704	6.4
211.14798	11.9
212.15497	5.9
215.14337	7.2
219.11710	6.7
221.13264	16.0
221.15428	67.3
222.13675	6.0
222.15710	6.2
222.20505	5.0
223.14717	10.2
225.16405	10.4
233.13210	8.3
233.15372	19.3
234.15851	8.3
235.14767	9.0
237.16512	9.2
241.15915	6.6
255.17554	10.1
256.17792	9.1
261.16306	5.7
263.18079	5.3
269.18723	8.8
274.19080	6.0
281.18658	5.8
286.19534	5.9
367.26416	7.1
491.35303	6.7
583.41113	13.1
601.42371	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17373	0.9
52.15230	0.9
53.03945	1.5
54.58314	0.8
55.01871	1.9
55.05514	6.8
57.03445	9.2
59.04998	1.2
59.55424	1.0
61.02921	3.7
61.21043	0.9
69.03432	35.7
71.01356	2.5
71.04997	23.4
71.31896	1.1
73.02908	8.7
75.04463	2.7
79.05492	1.6
81.03416	4.1
81.07063	1.1
83.01348	2.6
83.04985	50.0
85.02908	29.6
87.04469	14.1
91.05473	1.8
95.04960	2.8
97.02897	78.8
97.06509	1.0
98.03181	1.1
99.04455	4.0
101.06023	1.4
105.07050	2.2
107.04964	1.4
109.02890	2.9
109.06503	2.4
111.04450	56.8
113.02364	1.8
113.06006	12.0
115.03935	23.3
117.05482	6.1
119.08631	1.0
123.04408	1.5
125.02375	1.6
125.05970	1.8
127.03914	3.7
128.07111	0.9
129.05484	46.8
133.04967	8.5
137.05978	3.0
139.03949	2.0
143.03404	2.8
145.04878	1.1
149.06003	1.5
150.07593	3.6
151.07603	1.3
153.05461	3.3
157.04953	1.1
161.05930	1.5
162.24396	1.0
165.05495	2.7
171.06526	17.8
179.07095	1.7
181.04936	1.3
189.07590	100.0
190.07909	3.1
193.04991	1.7
207.06563	4.1
211.05994	3.1
217.07236	0.9
225.07593	9.2
229.07079	3.2
231.08449	1.4
233.55003	1.0
243.08665	13.6
247.08240	1.1
265.09235	3.0
280.15506	1.0
282.11703	1.2
303.10608	2.2
321.11731	4.1
357.11633	2.1
602.28021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51751	0.6
60.04526	1.3
61.02934	0.8
61.58948	0.6
69.03418	2.0
70.06586	3.9
71.30652	0.8
72.08150	2.0
72.81560	0.8
73.02898	0.9
78.04716	1.2
79.05503	4.2
81.03413	1.5
81.07075	0.8
84.04496	1.2
84.08141	2.4
85.02912	5.7
86.09709	5.0
91.05485	1.3
95.04962	1.7
97.02906	2.2
103.05498	1.4
105.06997	1.2
106.04157	0.7
107.04964	11.9
109.02876	0.8
111.04443	0.7
114.05518	0.8
115.05473	2.0
117.07033	0.8
119.04978	1.1
121.06539	1.3
123.04445	5.4
123.08004	0.8
124.05233	3.8
127.03926	1.4
129.06900	0.8
129.10216	1.6
131.04932	3.0
133.06494	1.0
137.06012	5.0
140.04689	1.1
143.04932	1.5
145.06494	1.7
147.07925	0.9
149.05954	1.1
151.07533	1.3
152.04709	2.3
153.05469	3.9
155.07019	1.2
159.04433	1.4
160.05219	1.2
161.05977	8.3
163.07512	1.1
165.05490	1.3
167.07051	100.0
168.07391	3.0
173.06012	0.9
174.06776	1.9
175.07565	6.2
176.04765	0.7
177.05478	2.1
178.07869	0.9
179.07022	2.2
179.08528	1.0
180.08746	0.8
187.07494	1.0
191.07014	6.1
195.07976	1.0
203.07057	6.9
205.06537	1.0
205.08618	0.7
207.08063	1.3
209.07951	1.2
211.07574	0.8
215.06976	0.7
219.08153	2.1
221.05946	1.7
221.08093	3.6
223.07529	1.9
233.08113	2.0
235.07530	2.5
237.09128	1.8
239.07030	1.3
242.08978	0.7
247.07520	1.9
249.05301	0.9
249.09081	0.8
249.11313	0.9
251.06964	1.9
252.07794	1.0
253.08485	1.6
255.06609	0.8
255.10181	1.3
263.06998	1.8
264.07825	1.9
265.08585	1.5
267.10156	2.8
272.12512	1.0
277.08627	1.0
278.09543	0.9
278.52017	0.7
279.06558	1.2
279.10107	2.0
281.08078	0.9
283.09756	2.7
292.07227	2.0
293.08130	1.1
294.08371	0.9
295.09589	3.7
297.11179	1.9
299.09180	1.2
300.09930	1.1
303.12207	1.7
304.31689	0.7
307.09589	2.5
311.09116	1.1
312.10184	1.0
314.11374	0.8
315.12292	5.4
323.09427	0.7
324.09833	2.3
325.10654	3.0
327.12329	3.1
329.13928	1.5
339.12308	13.8
340.12540	0.9
343.11932	1.2
343.15958	1.2
345.13388	7.4
357.13336	15.6
358.13489	0.9
361.12802	1.2
369.13013	1.3
375.14404	43.0
376.14908	3.3
387.14410	2.1
411.37173	0.7
562.58698	0.7
602.21198	1.6
603.21936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01868	0.4
67.05503	0.3
69.03416	0.5
69.62771	0.3
69.63159	0.5
70.06591	0.5
72.08129	0.4
78.04321	0.3
78.04713	2.3
79.05067	0.2
79.05492	3.1
81.03403	0.6
81.07040	0.5
85.02906	1.7
86.09701	0.7
87.08743	0.2
91.05479	1.8
93.07040	0.5
94.04204	0.3
95.04962	0.8
95.08592	0.2
97.02881	0.8
98.22708	0.3
103.05466	4.1
105.03374	0.3
105.04491	0.2
105.07032	4.8
106.04163	1.6
107.04959	7.3
108.05795	0.2
109.02832	0.2
109.06491	0.6
111.04408	0.3
115.05441	1.6
117.07008	1.5
119.04961	0.5
119.08588	0.2
120.05665	0.3
121.06467	1.7
122.03617	0.5
123.03550	0.3
123.04430	5.4
123.08057	0.6
124.05191	2.5
125.06002	0.5
127.03979	0.3
128.06293	0.2
129.06992	0.9
130.07750	0.2
131.04932	6.2
131.08591	1.2
132.05679	0.3
133.06491	5.0
134.03542	0.2
135.04425	0.4
135.08049	1.2
136.05179	0.4
137.05975	2.7
141.07002	0.8
143.04922	0.4
143.05974	0.3
143.08534	0.2
144.05675	0.6
145.06488	3.1
145.10085	0.4
147.00497	0.3
147.04411	1.3
147.08041	0.6
148.05249	0.2
149.05989	0.3
151.03896	1.2
151.07544	3.5
152.04683	2.3
153.05466	0.4
155.08488	0.3
156.05675	0.3
157.06482	0.4
158.07211	1.1
159.08043	1.7
160.05173	0.5
161.05992	5.5
162.06395	0.4
162.07570	0.4
163.07545	11.8
164.07889	0.5
165.09094	0.5
166.06273	0.2
167.07036	100.0
168.07362	3.5
169.06419	0.5
171.07945	0.3
172.05212	0.5
173.05934	1.4
173.09605	1.5
175.07513	1.4
177.05556	0.6
177.09132	2.8
178.06161	0.3
179.07033	2.8
180.08765	0.2
181.08586	4.0
187.07555	2.7
188.07962	0.3
189.09195	0.5
191.07091	0.3
192.07835	0.9
193.08601	16.8
194.08989	0.7
195.10176	0.5
201.09096	2.3
202.07750	0.3
203.08557	0.5
205.08585	1.0
207.10123	0.6
217.08542	0.7
218.09419	0.3
219.10133	2.6
221.11714	0.6
231.08058	0.7
233.11736	3.1
235.11136	0.4
237.11182	3.0
248.08485	0.4
251.12750	1.5
259.07449	0.2
263.10626	1.0
280.10751	0.3
291.10052	0.7
295.13278	0.8
305.11548	0.3
309.10968	0.2
323.12775	1.6
327.16077	0.3
341.13705	0.3
355.15366	12.5
356.15710	0.8
387.17993	9.9
388.18497	0.8
405.19070	16.5
406.19400	1.5
423.20374	0.3
424.20221	0.2
524.35187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
54.59397	1.2
55.01880	8.3
55.05505	5.4
57.03439	16.3
57.36709	0.9
59.04999	1.7
61.02925	13.8
69.01359	1.2
69.03432	43.5
69.07066	26.1
69.39379	1.1
70.06591	3.6
71.01373	2.6
71.04993	3.0
72.08149	2.5
73.02916	36.6
73.06565	1.5
79.05517	1.5
81.03425	9.0
81.07060	2.5
82.52743	1.0
83.04955	1.7
84.08173	1.1
85.02904	100.0
86.03251	2.3
86.09710	3.8
87.04508	2.8
91.03968	3.8
91.05484	1.6
93.07050	1.0
93.89581	1.1
97.02892	76.2
98.03234	1.4
99.04422	5.5
101.02416	1.3
103.03963	4.2
105.07027	1.4
107.04941	2.1
107.08614	1.3
109.02852	8.3
109.10146	2.4
111.04453	1.9
111.11722	12.6
115.03925	24.8
121.06525	1.4
123.04384	1.4
127.03914	34.4
131.04927	1.7
133.04968	40.0
135.11670	1.2
137.06047	2.4
137.09612	2.5
145.04961	52.8
157.04880	1.2
161.09674	4.7
163.06000	28.7
165.09158	3.5
167.07071	1.7
181.04950	1.6
184.14226	1.0
189.12720	1.2
193.05037	3.0
199.06099	2.4
200.55084	1.0
201.12450	1.2
203.05278	1.3
204.08496	1.1
207.10202	2.0
207.13890	1.4
217.07097	1.8
223.05986	7.6
225.14854	1.4
241.07074	13.7
243.16031	3.8
259.08124	18.5
277.09161	5.4
295.10199	10.7
325.11292	1.4
365.10580	1.9
366.10977	1.6
580.81091	1.3
602.28644	45.1
603.20752	2.4
603.29681	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	603.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56438	0.7
56.96346	0.6
56.96570	6.5
58.99857	0.8
65.03395	0.6
69.03412	0.9
69.31931	0.6
71.30129	0.8
71.95222	0.7
77.00951	0.7
81.03410	1.2
82.99855	1.7
84.95997	1.0
85.02881	2.5
85.20290	0.6
97.02911	1.5
98.58805	0.7
98.97586	62.5
101.00878	13.5
102.96857	0.8
110.97547	3.4
113.00835	1.2
116.98625	24.5
119.01924	26.0
125.54848	0.8
126.52931	0.7
128.98621	3.7
131.01892	3.2
132.98036	0.8
134.99663	5.8
137.02937	2.3
140.98639	0.7
143.01901	81.2
144.01999	4.4
145.03471	2.0
145.04807	0.7
146.99606	2.2
147.04367	0.9
154.93318	1.7
155.01900	2.9
157.03484	1.2
158.99657	44.7
161.02960	100.0
162.03134	5.3
163.02698	0.8
163.03969	1.1
167.02007	0.9
170.99672	2.1
172.94386	2.2
173.02962	3.9
177.00717	38.2
184.04593	3.5
185.06618	2.1
187.04576	0.8
189.00726	1.3
190.95456	1.0
195.01669	3.1
196.94362	2.4
197.02986	2.6
197.06593	1.7
199.04608	0.8
200.02357	1.1
201.00720	1.5
201.04428	1.3
203.04013	52.4
204.04173	3.2
209.02974	1.0
209.06731	0.8
211.04553	1.0
213.02466	6.0
214.95404	6.4
216.98753	1.3
219.01775	20.5
219.05017	1.1
221.03156	1.0
221.05104	2.7
223.00954	1.7
226.95419	1.5
227.07645	2.5
231.01404	1.4
231.03506	1.1
232.96422	7.0
235.04532	0.9
237.02612	10.3
237.05229	0.7
237.06035	0.9
240.96751	1.1
241.02130	1.2
243.05513	1.1
244.96468	1.0
245.05084	1.5
248.94554	1.7
249.02487	3.4
250.97606	1.2
251.04132	1.3
255.03564	8.0
261.02692	3.3
263.04001	3.1
267.03571	2.4
272.94440	3.8
278.93588	0.8
279.03625	5.1
281.02454	0.8
281.04959	4.1
287.09747	19.0
288.09982	1.7
289.37485	0.7
290.95566	3.0
291.03708	2.5
296.94452	3.0
297.04630	3.9
303.04199	1.5
303.07513	12.4
305.10782	1.9
314.95496	25.2
315.95551	1.5
321.04742	3.1
321.08609	11.6
322.04507	0.7
323.06653	0.8
332.96573	10.1
333.96881	1.2
339.05353	56.7
340.05734	2.8
356.96655	8.8
357.06680	18.8
358.07043	1.2
369.00308	1.2
374.97614	3.6
375.07535	0.8
391.07272	2.1
393.08737	4.0
398.97177	3.3
399.07788	5.2
417.08704	9.9
418.09109	1.1
435.09860	1.9
441.11993	4.2
454.10925	1.3
470.60950	1.0
471.10513	1.1
472.09778	3.3
501.04398	20.9
501.11337	1.8
502.04742	1.7
519.05420	6.0
519.11975	1.3
543.06140	1.3
561.06580	4.3
603.17542	24.4
604.17712	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	603.1837
Annotation	Dahuribirin F
Peak:m/z	Relative Intensity
68.13353	1.3
69.81387	1.4
80.11624	1.4
83.75106	1.3
83.76768	1.6
163.40628	1.4
165.09035	1.7
191.83669	1.5
365.12030	1.6
391.07596	2.0
406.10242	20.2
407.10541	2.0
603.18372	100.0
604.18500	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	603.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20794	0.3
69.82561	1.2
70.06592	0.5
72.08147	0.3
72.91393	0.3
86.09716	0.5
98.22677	0.4
119.69322	0.3
185.04221	1.8
309.09552	0.7
363.09033	1.4
365.10669	0.8
425.11984	0.8
440.14487	1.8
441.15250	4.2
559.23523	1.2
562.56317	0.3
587.92078	0.3
603.20538	100.0
604.20892	10.5
604.29309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	1.5
71.30896	0.3
71.31363	0.5
72.08158	0.8
74.66050	0.4
81.03437	0.4
84.08160	1.0
85.02899	0.7
86.09717	1.4
91.05486	0.5
97.02909	0.6
105.07047	0.5
119.04908	0.5
119.08633	0.4
120.08114	0.6
127.03874	0.6
132.08119	0.8
137.05904	0.4
155.08546	0.4
167.07083	1.4
173.09630	0.4
185.04221	0.8
187.08710	0.6
201.03764	1.1
203.05292	9.2
233.11661	0.4
234.12093	0.7
252.13075	0.7
258.12433	0.9
287.05380	0.6
293.81915	0.4
296.08087	0.4
313.21024	0.4
357.19125	0.7
357.26996	0.4
389.65103	0.5
407.11374	0.7
423.23529	12.5
424.23706	0.9
425.25110	20.0
426.25357	1.7
441.15128	0.9
441.24597	0.9
443.26758	0.4
517.22461	1.4
549.20416	0.4
559.15198	0.6
559.23602	8.5
560.23792	0.7
603.20410	28.6
603.29669	100.0
604.20758	3.4
604.30054	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	603.299
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
53.03952	0.4
55.01867	1.0
55.05488	0.4
57.03426	0.7
61.02920	0.4
67.05508	0.6
67.51417	0.4
69.03425	1.6
69.07068	0.6
70.06590	0.3
71.04990	0.6
71.30892	0.6
71.84775	0.3
72.39748	0.3
72.47234	0.3
73.02916	0.9
79.05505	0.7
79.54987	0.4
81.03419	0.5
81.07062	1.3
83.04979	0.8
84.52990	0.3
85.02906	3.0
91.05493	0.9
93.07054	1.2
95.04991	0.9
95.08598	0.9
97.02899	2.3
97.06525	0.9
99.04465	0.5
99.21893	0.3
105.07040	1.0
107.08591	0.7
109.02843	0.7
109.06550	0.6
109.10178	0.7
111.08083	0.7
115.03947	0.5
119.08591	0.8
120.08156	0.4
121.06496	0.8
121.10154	0.7
122.03651	0.4
127.03933	1.2
131.08626	0.4
133.04990	0.8
133.10129	0.6
135.08057	0.3
137.05994	3.6
139.07487	0.4
143.09207	0.3
145.04935	1.6
145.10155	0.5
147.11716	0.7
163.06042	0.7
165.12779	0.5
167.06998	0.4
169.12247	0.4
171.02957	0.3
171.11726	0.4
175.11208	0.6
192.46352	0.3
193.12286	0.6
203.05368	0.7
211.13313	0.4
221.81056	0.3
221.83195	0.3
235.13329	0.4
241.83492	0.3
245.06418	0.6
253.14372	0.8
254.17798	0.4
272.18527	0.4
275.07410	0.6
287.05420	0.4
305.08389	4.1
347.09628	0.6
365.10544	33.8
366.10971	1.5
441.24594	0.8
585.17615	0.5
603.29846	100.0
604.20551	0.7
604.30206	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	604.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67314	0.4
55.01878	0.4
61.02925	8.0
61.33992	0.3
65.03924	0.5
66.38762	0.3
68.18799	0.3
69.03423	1.0
70.06580	0.5
71.04102	0.7
72.67411	0.3
77.61163	0.3
78.04709	1.6
79.05501	1.3
79.42670	0.4
81.03415	0.6
84.08093	0.4
85.02911	0.8
86.09695	0.6
91.05462	1.5
93.03382	0.4
95.04970	0.8
97.02913	0.5
103.05450	0.6
106.04182	1.8
107.04972	1.7
109.02882	0.5
109.06534	0.6
109.10092	0.3
119.04925	1.4
119.08551	0.5
121.06518	1.6
121.10116	0.4
122.03653	0.4
123.04430	3.3
124.05204	1.8
125.05936	0.5
127.03904	0.7
131.04938	1.8
133.02840	1.6
134.03627	0.4
137.05989	3.0
139.07530	1.5
145.05002	0.4
147.04413	2.1
149.05981	2.6
151.03903	0.8
151.07549	0.6
152.04649	0.9
153.09055	0.8
163.07532	2.5
165.05492	0.8
165.09183	0.6
167.07040	100.0
168.07379	2.5
177.05460	1.6
179.07082	1.1
181.08640	0.8
191.06932	0.5
195.10213	0.4
209.08086	4.8
211.09685	0.4
227.09140	32.7
228.09506	1.4
255.24652	0.3
357.13345	0.9
359.14868	0.6
377.16141	0.6
389.15317	0.6
604.13562	0.8
605.29053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69469	0.4
53.03936	0.6
55.01877	0.8
55.05505	1.6
57.07095	0.5
61.02924	0.7
62.06084	0.7
65.03935	0.6
67.05496	1.6
69.03431	2.7
69.07060	1.3
69.63249	0.5
71.05012	0.8
71.08633	4.4
71.31035	0.7
72.08145	1.2
73.02925	0.7
79.05477	1.0
81.03431	1.1
81.07064	4.7
83.04976	0.7
83.08611	0.9
84.08136	1.4
85.02911	3.6
85.06563	0.5
86.06069	5.0
87.04465	0.8
88.49171	0.5
91.05497	2.3
93.07059	1.2
95.05031	0.6
95.08604	2.2
96.08128	1.9
97.02878	1.8
97.06531	1.0
98.06065	0.8
98.09698	2.4
99.04448	0.6
99.08095	3.1
105.01775	0.5
105.07027	2.2
107.08550	2.4
108.08097	1.1
109.02896	0.6
109.10165	1.0
114.09135	0.5
116.10738	17.0
117.11099	0.5
119.08582	2.1
121.06513	0.5
121.10117	1.5
122.09658	1.4
123.11681	1.6
126.09162	0.5
127.03936	1.5
128.06206	0.5
133.10135	1.3
137.06009	0.8
140.10693	1.3
142.08624	0.6
143.10672	2.3
145.04968	0.7
145.10092	0.8
147.11676	4.3
154.15916	2.6
157.10097	0.8
159.11662	0.6
165.12749	2.0
166.15919	2.1
175.11165	0.8
178.15901	0.9
193.12244	1.8
196.16983	6.1
203.63705	0.4
211.13351	0.9
214.18022	100.0
215.18341	4.1
229.14354	4.0
264.45575	0.5
273.72629	0.4
287.05414	0.9
288.05756	1.1
308.21921	0.6
326.23315	0.6
344.24350	6.1
355.17950	0.6
376.23306	17.4
377.23651	1.1
424.30527	0.7
442.31711	6.4
506.29318	1.5
569.29175	0.6
582.92645	0.5
604.37256	4.5
605.36804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92579	0.3
69.56941	1.3
73.01672	0.3
105.28031	0.3
119.10739	0.3
142.14725	0.3
151.38786	0.3
161.90207	0.3
177.05264	0.3
183.05147	0.4
189.05313	0.4
331.11322	0.4
363.08450	0.3
375.08264	0.6
378.11108	0.6
379.11310	0.4
393.09473	2.5
408.11841	5.9
409.12524	1.1
421.12671	0.4
575.18933	1.0
605.19910	100.0
606.20221	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	605.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63649	0.7
55.69177	0.7
68.33910	0.7
70.06596	0.9
74.36562	0.7
82.80694	0.7
98.22561	2.0
105.06995	1.1
109.06505	0.8
167.06973	0.8
173.52359	0.8
189.05252	1.1
197.08208	1.0
229.02312	0.8
393.09375	1.7
408.11728	8.2
409.12473	1.8
441.19357	0.8
505.22574	0.9
575.19293	1.1
596.24060	0.7
605.19861	100.0
606.20197	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	605.22
Annotation	Unknow
Peak:m/z	Relative Intensity
61.99022	0.2
61.99767	0.2
64.37012	0.2
65.79011	0.2
69.03442	0.3
70.06591	0.6
84.08154	0.3
85.02901	0.2
86.09718	0.5
91.05503	0.2
95.92635	0.2
120.08075	0.3
141.06915	0.2
161.06015	0.3
181.05025	0.2
185.04269	0.7
189.05215	6.1
190.05594	0.2
197.01254	0.4
204.03957	0.5
205.04776	0.3
245.07877	0.3
309.09537	0.7
397.12717	0.2
409.12628	0.3
419.13956	0.3
427.13425	2.0
442.15860	1.2
443.16782	4.7
444.17194	0.3
525.58386	0.2
565.70105	0.2
605.22009	100.0
606.22351	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	605.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.2
69.03449	0.3
70.06595	1.6
71.48060	0.2
72.08169	0.4
79.05482	0.2
84.08140	0.3
85.02913	0.3
86.09707	0.7
97.02923	0.3
105.07011	0.2
116.45376	0.2
127.03957	0.3
133.06454	0.2
135.06989	0.2
137.05981	0.5
161.05998	0.3
167.07072	0.5
177.05513	0.4
179.06938	0.2
181.05095	0.2
185.04285	1.0
189.05214	4.6
189.06914	0.2
205.04881	0.3
206.32619	0.2
217.04771	1.1
218.05478	0.3
229.61342	0.2
269.70694	0.2
353.09323	0.2
357.13528	0.2
376.93726	0.2
380.10931	1.2
381.11545	0.3
409.13208	0.2
427.13696	1.3
428.13885	0.3
437.39499	0.2
442.15988	1.0
443.16818	4.5
444.17606	0.4
527.71954	0.2
575.20709	0.4
590.20142	0.3
605.22064	100.0
606.22443	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03181	1.2
54.85109	1.3
57.07079	2.5
67.05519	2.6
69.07076	1.5
69.23325	9.4
74.77483	1.1
81.07076	3.1
85.10762	1.2
93.07075	2.0
95.08617	2.7
121.10121	1.5
255.35147	1.3
267.03629	1.4
414.18787	2.5
415.19327	5.2
416.19907	2.6
429.20813	9.6
430.21423	5.2
443.22333	4.1
444.23669	6.8
445.24115	3.4
457.20132	1.8
458.25040	2.6
459.25562	4.2
472.22513	3.5
473.23520	7.7
474.24039	3.4
485.23456	3.9
487.25021	25.5
488.25497	3.8
503.24524	4.2
517.25952	2.6
523.46576	1.4
524.91296	1.5
545.25598	17.3
546.26245	6.6
573.24628	1.8
605.27582	100.0
606.27869	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	606.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88396	8.5
55.01874	11.7
57.03410	10.8
57.07062	10.7
67.05510	19.8
69.03435	23.7
69.07066	18.6
71.04995	28.2
79.05482	25.0
81.03400	15.5
81.07068	66.3
83.08604	11.4
85.06548	13.0
91.05481	28.3
93.07032	66.1
95.04952	11.2
95.08614	84.1
97.02912	15.1
97.06575	14.0
98.22543	25.1
99.08106	16.9
100.01623	10.0
102.46021	12.7
105.07027	61.8
107.08577	65.9
109.02892	12.0
109.10180	51.4
117.07032	9.4
119.08610	70.3
121.10142	52.5
123.08074	17.2
123.11729	14.0
125.09617	34.7
127.03915	28.4
127.11191	26.0
131.08582	15.4
133.10101	29.9
135.11667	14.3
140.10764	12.1
143.08553	16.5
143.10681	100.0
145.10106	42.0
147.11710	29.3
149.02324	50.2
149.13269	28.5
150.47881	10.5
157.10129	15.1
159.11740	27.0
167.14314	10.9
173.13287	13.6
201.16418	28.0
211.20155	10.8
213.16563	11.4
214.18019	15.8
215.18037	13.8
223.09761	10.1
260.09131	10.5
287.23770	18.9
340.14755	11.7
552.38660	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	606.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	10.7
55.05521	21.9
58.21866	11.9
67.05518	35.6
69.03433	21.5
69.07071	41.7
69.72751	57.8
71.04997	25.2
77.37279	10.2
79.05489	21.0
80.47028	10.0
81.03455	10.4
81.07069	64.0
83.08618	11.4
86.06090	18.8
91.05474	20.3
91.74947	10.7
93.07050	42.7
95.04971	10.2
95.08611	100.0
105.07048	36.0
107.08585	51.4
109.10137	78.0
116.10729	17.7
119.08586	43.5
121.10163	32.2
121.97086	10.3
123.11727	13.5
127.03940	17.3
127.11202	47.8
131.08571	17.8
132.00046	11.0
133.10156	65.8
135.11720	18.7
143.10699	21.8
145.10178	19.6
147.11688	50.6
149.02417	13.4
149.13283	36.3
161.13184	14.1
217.19568	23.1
235.20587	21.1
247.89175	10.8
258.73065	9.9
287.05621	12.7
315.99988	10.3
345.24680	20.9
354.99121	17.2
355.99924	15.3
444.32730	13.4
606.02374	42.1
607.02399	25.4
607.22394	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	607.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04251	0.4
56.82650	0.4
57.07647	0.5
65.27682	0.4
77.26477	0.4
78.19469	0.5
91.05499	0.4
95.08653	0.6
103.26114	0.4
109.06511	0.4
133.10312	0.4
167.07054	0.7
177.05312	0.6
224.72424	0.5
257.72739	0.5
282.50275	0.4
298.84747	0.5
343.11569	0.7
382.10303	0.8
395.11014	4.4
409.13080	0.5
410.13364	10.8
411.13885	1.1
559.19336	0.6
607.21472	100.0
608.21820	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	607.215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	0.6
69.03426	0.6
69.15534	1.9
69.15952	1.9
73.14529	0.5
73.55530	0.5
75.66207	0.5
79.05475	0.6
82.89510	0.5
98.22547	0.5
105.06974	0.7
118.13969	0.5
136.84688	0.5
139.88139	0.5
145.10075	0.5
167.07007	1.2
177.05408	0.8
211.10738	0.6
253.23520	0.5
321.78302	0.5
395.10999	3.8
410.13333	9.3
411.13947	1.2
415.29962	0.5
420.71988	0.5
472.42194	0.6
607.21454	100.0
608.21796	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2364
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
70.06591	0.3
70.17406	0.5
70.17714	0.3
73.75415	0.2
84.04521	0.2
111.04247	0.5
185.04237	0.4
189.05229	20.9
190.05855	2.6
207.06432	0.4
245.07820	0.3
312.80173	0.2
429.15234	2.0
443.16925	0.4
444.17319	1.4
445.18338	13.6
446.18613	1.0
464.12665	0.3
482.22141	0.3
607.23608	100.0
608.23956	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	607.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02487	0.6
67.05510	0.7
71.31995	0.7
81.07063	1.2
84.10552	0.7
88.49002	0.6
89.39318	0.7
91.12095	0.7
93.07025	0.8
93.25737	0.7
95.08643	1.0
107.08661	0.6
121.10104	0.9
145.10176	0.8
149.31490	0.7
172.36304	0.6
381.29626	0.7
389.17575	1.8
390.18610	1.9
401.17841	1.2
402.18521	2.5
403.19235	3.2
404.20203	4.5
415.19257	2.4
416.19995	2.6
417.20828	5.0
418.21884	1.6
419.22427	4.8
428.19879	0.9
429.20953	1.5
430.17169	1.0
431.23004	6.9
432.23459	1.3
433.24042	3.2
443.22717	1.3
445.19547	3.4
446.20483	2.1
446.25372	1.8
447.21606	3.0
457.24176	1.1
458.24762	0.9
459.21945	3.7
460.22644	1.1
461.18787	0.8
463.21402	1.5
473.19376	2.1
473.24701	1.0
474.23984	2.6
475.20990	19.4
476.21692	2.8
477.23627	0.9
478.23776	2.1
486.21198	0.9
487.21359	9.1
488.21753	1.7
489.23035	0.8
492.21176	1.3
501.22806	7.4
502.23569	7.5
503.23953	1.7
506.23218	1.4
519.23865	3.8
524.24762	1.0
533.21838	1.1
534.22522	0.7
547.23395	33.6
548.24158	8.5
607.25500	100.0
607.41620	2.5
608.25836	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	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76068	0.9
70.10083	0.9
71.32359	1.1
76.91087	0.8
104.10767	1.1
105.47961	0.7
110.21148	0.8
118.05487	0.9
129.28598	0.9
129.87851	0.8
144.94533	1.1
158.94960	0.8
164.42111	0.9
173.02818	0.9
173.97490	0.8
181.12982	0.8
197.26295	0.8
225.59314	0.8
374.15436	1.0
375.16061	1.0
388.16797	1.3
389.17670	2.6
390.18314	0.9
391.19260	1.4
402.18585	1.3
403.14740	1.3
403.19327	3.9
404.20047	2.4
405.20972	3.5
416.16061	1.3
417.16400	5.1
417.21796	1.4
418.17151	1.7
418.22031	2.1
419.22644	7.5
420.22879	2.3
431.18237	8.9
432.19000	4.1
433.20001	4.7
445.20325	6.3
446.21045	12.6
447.21674	13.6
449.19983	0.8
459.17380	1.3
459.22501	1.3
461.19632	1.9
474.20395	5.6
475.20792	7.5
478.23560	1.0
487.21512	2.3
491.20853	2.8
501.23016	2.0
505.22119	1.5
519.23987	20.0
520.24341	2.9
529.22803	1.1
547.23358	14.7
548.23663	1.6
550.21576	1.1
579.25946	6.3
580.26923	1.5
607.25507	100.0
608.25702	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	607.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
90.46919	0.4
90.52630	0.4
91.05463	0.7
93.06991	0.5
95.08577	0.5
107.04975	0.5
109.10086	0.5
121.10101	0.6
209.10713	0.6
221.10686	0.5
285.90100	0.4
362.16214	0.5
363.93823	0.4
375.16196	0.8
387.16037	0.5
388.16867	1.5
389.17566	2.6
390.18271	1.4
391.19031	1.0
401.17709	0.9
402.14316	0.8
402.18622	1.3
403.19412	4.9
404.20038	2.2
405.20786	2.3
406.22040	0.5
415.19672	0.6
416.16153	1.3
416.20703	0.7
417.16205	5.0
417.21176	2.7
418.17209	1.0
418.21936	1.3
419.22464	7.6
420.22705	1.5
429.16916	0.9
430.17892	1.4
431.18137	7.8
431.23828	0.8
432.19031	4.2
433.19858	2.3
434.21185	0.5
435.22534	0.4
443.18417	0.6
444.19217	0.6
445.20200	6.5
446.21051	8.3
447.21664	12.4
448.22186	1.3
459.17966	2.0
459.22507	1.4
460.18097	1.0
460.23398	0.7
461.19931	1.5
463.24869	1.4
473.19186	0.8
473.24005	0.8
474.20468	12.3
475.21106	14.1
476.21652	1.9
477.23087	0.5
487.21301	3.0
488.22015	1.0
490.23801	1.5
491.20795	1.6
501.23175	1.3
503.24707	0.8
505.21909	0.5
518.23199	0.6
519.24036	13.8
520.24188	1.6
529.22595	0.7
532.21185	0.9
547.23425	73.7
548.23761	10.4
561.24927	1.3
579.25787	4.1
589.24597	1.2
590.25238	0.5
607.25513	100.0
608.25873	15.2
608.33221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69682	0.5
69.62972	1.5
71.76876	0.6
76.78770	0.5
93.44949	0.4
94.01966	0.5
94.60748	0.5
98.23233	0.9
122.48691	0.5
122.99886	0.5
123.46597	0.5
179.31039	0.5
207.09206	0.6
223.12425	0.6
278.90948	0.5
387.16220	1.1
388.17004	1.3
389.17581	3.1
391.19958	0.5
401.17917	1.2
402.18344	2.4
403.14352	0.6
403.19260	6.9
404.19974	3.0
405.20667	3.4
415.19537	1.8
416.20554	2.4
417.16165	0.8
417.21277	7.9
418.21835	4.7
419.22302	7.1
420.22763	1.3
429.21231	1.5
430.17096	3.0
430.22760	1.0
431.18091	16.3
432.18414	3.7
433.24149	16.5
434.24600	3.2
444.18857	0.7
444.23849	0.7
445.19846	16.8
446.20660	9.0
447.21664	6.8
448.22144	0.8
458.20966	1.5
459.21304	7.7
460.22531	22.3
461.23273	22.9
462.24362	2.7
472.22397	1.0
473.23477	6.4
474.24030	3.5
477.23059	1.2
487.25287	2.5
488.25854	0.9
489.23645	0.6
491.24738	1.3
492.25424	0.7
505.21344	4.0
515.24353	0.9
518.22931	0.8
519.24738	2.1
519.27484	2.7
520.24756	0.8
532.24664	1.8
533.25391	0.7
535.32782	0.5
547.27069	61.8
548.27289	9.2
575.26404	1.8
579.30139	1.1
607.29150	100.0
608.29474	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	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
69.70288	0.9
69.70683	0.9
85.76787	0.4
89.58124	0.4
119.12657	0.4
135.36995	0.4
176.48306	0.5
191.12798	0.4
204.30426	0.4
272.12610	0.4
326.16226	0.5
375.16605	0.5
389.17767	1.4
390.18732	0.5
401.17532	0.5
402.18448	1.0
403.19159	4.3
404.20190	1.6
405.20807	2.2
415.19711	0.6
416.20215	1.2
417.16556	1.5
417.21591	3.9
418.21713	2.2
419.17923	0.5
419.22397	4.3
430.17813	1.4
430.22476	0.5
431.18121	8.8
431.23816	0.7
432.18701	3.2
433.24054	9.4
434.24731	2.0
444.19452	1.1
445.19815	11.5
446.20700	7.6
446.25864	0.5
447.21576	6.7
449.23389	0.8
459.21567	6.2
460.22513	16.6
461.23264	16.9
462.23694	1.8
473.23730	4.4
474.24258	2.3
476.22015	0.6
477.22989	1.3
487.25381	2.5
488.25409	0.9
489.22763	0.6
491.19913	0.5
492.25177	1.6
505.21667	4.7
506.27161	0.7
515.24713	0.7
518.23187	0.5
519.27374	2.8
532.24713	1.8
533.25323	1.1
547.27057	42.0
548.27448	5.8
575.26416	1.2
578.25366	0.5
579.29596	0.6
607.29126	100.0
608.29376	12.8
608.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74057	2.4
53.03942	7.3
55.01869	13.2
55.05504	11.0
57.03437	35.2
57.07061	5.8
59.04993	4.6
60.04525	2.6
61.02930	15.3
64.32465	2.4
65.03930	5.2
67.05513	21.1
69.03430	40.4
69.07070	16.3
71.01347	11.7
71.04984	9.0
71.31023	4.2
73.02910	45.6
79.05498	16.8
81.03415	30.3
81.07050	21.9
83.04982	16.1
83.08613	4.9
85.02906	91.4
85.06528	8.6
87.00835	17.5
87.04480	6.9
89.03943	2.5
91.03970	5.5
91.05476	22.0
93.07036	25.1
95.04963	21.1
95.08025	4.9
95.08608	42.0
97.02895	34.3
97.06498	12.2
99.04442	17.9
101.02337	3.1
103.03932	9.1
103.05489	2.9
105.01867	15.7
105.07030	46.2
107.08588	38.2
109.02880	19.6
109.06509	16.9
109.10136	25.9
111.04439	17.2
111.08083	7.8
115.03930	19.3
115.05475	3.5
116.85057	2.4
117.07013	10.1
119.07768	5.3
119.08577	67.0
120.08148	2.8
121.06479	12.7
121.09294	4.2
121.10139	59.5
121.45184	2.8
123.04403	3.2
123.08047	12.9
123.11708	10.8
125.06010	13.4
127.03898	42.2
128.06181	4.2
129.05476	17.2
129.06995	5.1
131.08560	21.5
133.04990	5.6
133.06461	8.4
133.10132	79.1
134.10510	3.3
135.08069	7.8
135.11662	11.5
137.05998	7.2
139.07573	7.5
142.07756	5.6
143.07051	9.0
143.08522	8.2
145.05002	13.0
145.06454	4.7
145.10127	43.5
147.02957	2.6
147.06541	6.4
147.08025	10.0
147.11684	58.7
149.05980	8.0
149.09631	8.2
149.13290	9.8
151.07533	12.9
151.11156	3.3
155.08517	6.0
156.09285	3.8
157.10130	19.3
158.10863	7.1
159.02902	10.4
159.06488	3.0
159.08092	5.0
159.11697	25.7
161.09637	8.6
161.13255	9.2
163.07631	2.8
163.11203	6.2
165.09103	3.5
165.12801	5.9
167.07079	6.5
169.08733	4.8
169.10150	10.8
170.11006	3.2
171.08064	5.5
171.11720	12.7
173.09605	8.5
173.13249	47.5
174.13631	3.1
175.11209	8.5
175.14815	65.4
177.09158	3.5
177.16420	4.2
181.10129	3.4
183.11658	8.1
185.08110	6.2
185.09656	7.7
185.13231	18.9
187.09671	4.4
187.11198	10.5
187.14816	30.1
189.03984	3.3
189.16415	7.4
191.10771	3.4
191.14297	5.1
193.15926	7.6
197.09650	4.4
197.13336	7.5
199.11172	3.5
199.14801	13.8
201.09178	3.2
201.12723	5.0
203.10603	4.1
203.14247	3.8
211.14885	10.7
213.12819	3.7
215.10747	6.5
215.14290	4.0
217.15909	8.9
219.10156	3.2
223.14830	5.2
225.07910	3.4
225.16347	6.9
227.12758	8.2
229.12125	3.7
229.15967	12.8
231.05022	7.8
231.13727	4.8
235.14835	4.0
241.15863	27.9
243.17393	3.8
251.12814	3.0
253.15866	20.2
259.16916	9.0
271.16910	78.1
272.17117	4.2
277.18185	3.7
289.17975	100.0
290.18317	5.8
307.19028	84.7
308.19220	4.8
325.20187	3.5
366.75928	2.5
519.22467	13.1
537.23413	15.9
545.15167	2.9
555.24225	11.3
573.25342	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	608.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28350	3.9
51.67721	4.2
52.55540	3.0
53.03945	12.2
55.01883	7.4
55.05514	27.8
56.09528	3.1
57.03432	7.3
57.07082	4.2
65.03943	7.2
67.05511	93.0
69.03439	38.1
69.07084	27.4
69.33479	11.1
69.33906	12.4
71.05006	8.4
73.02930	5.4
79.05498	83.8
81.03424	69.4
81.07065	100.0
83.04996	14.6
83.08632	11.3
85.02913	32.8
89.96130	3.2
91.05488	90.1
93.07053	91.7
93.90959	3.4
95.04966	17.5
95.08613	74.7
97.02899	34.8
97.06544	8.8
97.10168	4.2
99.04451	5.9
99.08096	5.7
103.03952	5.2
103.05515	4.2
103.92817	3.6
105.04559	4.0
105.07040	63.6
107.04962	7.6
107.08606	52.2
108.04427	5.1
109.02899	16.6
109.06515	11.3
109.10169	38.1
110.52792	3.3
111.04452	14.0
111.08090	4.1
115.05445	5.6
115.31053	3.5
117.07023	24.3
119.04950	14.8
119.08595	49.4
121.06514	5.6
121.10150	48.0
123.08121	5.3
123.11718	14.5
125.09618	3.6
127.03938	22.1
129.05542	5.3
129.07018	19.9
131.08578	46.3
133.06522	6.5
133.10127	34.0
135.08093	10.4
135.11694	33.7
137.05951	4.2
137.09618	12.6
137.13226	5.0
141.07002	10.5
143.08542	12.6
145.10158	35.6
147.08063	4.6
147.11688	24.5
149.09653	4.5
149.13263	15.2
151.07553	68.7
155.08618	5.3
157.06529	4.6
157.10126	14.0
159.11690	28.6
161.09660	9.5
161.13266	14.8
163.07605	4.2
163.11221	6.2
163.14856	9.8
165.09167	17.1
165.12799	5.9
167.08655	4.4
169.10124	9.6
171.11723	15.8
172.96782	3.9
173.04990	3.5
173.13306	21.0
175.07614	7.1
175.11182	7.8
175.14809	7.2
177.12718	4.8
179.07039	8.4
183.11746	4.0
185.09680	4.5
185.13260	8.6
187.11287	4.2
187.14818	10.6
189.09152	8.3
189.12787	6.6
189.16441	4.2
193.08656	16.9
195.11734	8.1
197.13347	5.3
199.11183	3.9
199.14932	8.1
203.10782	5.8
211.14848	5.9
213.12770	4.5
229.41165	5.1
231.10201	4.1
235.09753	6.8
243.21135	6.9
259.09689	29.6
259.20599	8.9
261.22226	23.4
273.21985	6.2
275.23621	4.9
277.10684	22.1
277.21698	11.4
285.22195	7.3
289.21622	6.4
291.23215	6.7
303.23267	16.7
315.23175	8.5
327.23245	9.4
341.24820	7.0
351.23227	14.8
369.24338	27.3
387.25537	25.8
405.26352	18.7
423.27542	5.9
512.49072	3.9
576.23462	4.1
608.25732	8.4
609.45398	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	609.1812
Annotation	Scutellarein 6-metnyl ether 7-neohesperidoside
Peak:m/z	Relative Intensity
57.03408	0.7
63.38496	0.2
69.07048	0.4
69.36208	0.6
69.36620	0.5
70.06569	0.7
71.04996	3.7
73.04710	0.2
73.64585	0.2
75.04463	0.2
79.05463	0.3
81.07043	0.4
83.04943	0.3
84.08114	0.3
85.02910	5.3
86.09679	0.4
87.04366	0.2
93.07028	0.3
98.23458	0.2
105.07020	0.4
107.04898	0.2
107.08531	0.2
111.04401	0.2
114.11856	0.2
120.08058	0.3
121.10078	0.3
127.03882	0.3
128.06297	0.2
129.05469	1.0
129.10130	0.3
131.08507	0.2
131.41995	0.2
137.06001	0.2
145.10135	0.4
147.11748	0.2
149.06001	0.2
153.01834	1.0
167.05560	0.2
167.07016	0.5
171.02861	0.2
181.04967	0.5
229.04948	0.2
239.09656	0.2
241.33742	0.2
258.05234	10.1
259.05569	0.4
286.04718	31.4
287.05057	1.5
299.05975	0.4
301.07065	100.0
302.07410	5.7
303.19577	1.1
355.07071	0.5
368.17740	0.3
413.63806	0.2
432.56754	0.2
447.30829	0.4
463.12369	14.2
464.12665	1.2
577.20490	0.2
609.18835	0.3
610.30713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1811
Annotation	Scutellarein 6-metnyl ether 7-neohesperidoside
Peak:m/z	Relative Intensity
50.61575	0.1
51.47866	0.1
52.66653	0.1
57.03435	0.8
63.39268	0.1
70.06582	0.4
71.04994	3.7
71.31718	0.2
72.08137	0.2
73.04739	0.3
75.04469	0.2
81.35092	0.2
85.02905	4.7
86.52085	0.2
87.04459	0.2
91.05808	0.2
99.04425	0.2
129.05463	1.0
133.02777	0.2
147.06546	0.2
153.01794	0.6
167.07039	0.4
175.03914	0.2
181.04947	0.3
183.66826	0.2
206.89055	0.2
229.04970	0.2
258.05231	9.6
259.05725	0.4
286.04709	32.8
287.05115	1.6
301.07053	100.0
302.07373	5.4
355.07126	0.3
368.17953	0.2
382.89355	0.2
463.12360	14.8
464.12796	1.0
609.24622	0.2
610.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92502	0.5
57.19264	0.5
57.31632	0.5
60.08989	0.5
70.06596	7.1
71.05010	0.7
71.31099	0.8
72.08156	1.2
73.04749	0.8
73.46836	0.4
74.00448	0.5
84.04506	1.3
84.08160	1.3
85.02919	1.2
86.09709	5.1
91.05790	2.1
98.06047	0.6
98.40909	0.5
101.07175	0.5
110.07178	2.1
114.16092	0.6
120.08132	1.9
121.24887	0.5
126.67613	0.6
129.10219	0.8
136.07574	0.7
151.20981	0.5
171.11330	0.8
175.03824	1.3
177.05510	2.2
189.05246	10.2
199.10785	0.9
201.05235	12.5
201.77734	0.5
202.81578	0.5
205.04752	3.4
207.06473	0.8
219.06396	1.0
231.10452	0.5
245.18649	1.1
250.08263	1.2
251.09097	0.8
262.08167	4.5
268.97852	0.5
280.09091	1.1
299.06049	0.9
351.10602	0.6
355.07150	2.3
365.11877	0.9
394.19067	0.6
399.14349	0.6
429.15088	0.8
431.13205	0.8
447.16254	20.0
448.16547	1.7
458.79449	0.5
609.21515	100.0
610.21881	9.5
610.31421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
60.67657	0.3
62.64751	0.3
73.04754	0.6
81.03437	0.4
81.07038	0.4
83.04992	0.4
83.78171	0.3
91.05833	0.8
105.07031	0.5
131.04916	0.5
159.04175	16.4
160.04503	0.4
167.07074	1.0
181.05023	0.5
183.32687	0.4
204.03976	1.1
205.04735	2.6
239.09572	0.6
242.05490	0.4
245.07936	2.3
268.98013	0.5
275.08862	0.4
285.01108	0.7
289.05228	0.7
299.40915	0.4
343.11578	0.8
355.06952	0.9
363.12402	0.5
367.11572	0.7
379.11557	0.8
397.12552	4.4
412.14951	8.1
413.15549	1.6
425.15668	0.4
460.45667	0.4
547.29144	0.4
565.29694	0.5
573.27057	0.8
577.20770	0.5
579.21613	0.5
591.27771	1.5
609.22961	100.0
610.23279	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	609.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37572	0.2
54.99536	0.2
55.05507	0.7
67.05499	1.2
68.74382	0.2
69.07063	0.5
69.26746	1.4
71.98930	0.2
76.79781	0.2
79.05502	1.1
81.07063	1.1
83.08652	0.3
83.89477	0.2
87.72118	0.2
91.05476	1.0
93.07039	1.2
95.08621	1.0
97.10195	0.2
98.23405	0.3
105.07040	1.0
107.08624	0.5
109.06557	0.3
109.10183	0.5
117.07034	0.5
119.08601	1.0
120.08163	0.2
121.10159	0.6
123.11719	0.3
129.06995	0.2
131.08578	0.8
133.10153	0.4
135.11696	0.4
143.08524	0.3
145.10139	0.8
147.11696	0.5
155.08545	0.3
157.10185	0.3
159.11673	0.7
161.96574	0.2
171.11728	0.3
173.13292	0.5
183.11778	0.3
185.13416	0.2
197.10703	0.2
206.39281	0.2
209.10817	0.2
210.11426	0.3
211.12361	0.3
222.11537	0.3
223.12419	0.3
224.13046	0.3
225.13766	0.2
236.13123	0.3
237.13922	0.5
238.14604	0.3
239.15503	0.4
239.17848	0.3
249.14082	0.3
251.15454	0.5
252.16190	0.2
255.17374	0.2
257.19077	0.5
261.13831	0.2
275.20181	0.6
331.22968	0.3
335.25809	0.3
355.06985	0.2
361.15335	0.3
363.16354	0.2
374.16580	0.3
375.16599	0.5
376.17090	0.9
377.17661	1.1
378.18256	0.5
386.15735	0.2
389.18121	1.0
390.18683	1.2
391.19156	2.7
392.19870	1.4
393.21136	0.5
399.16187	0.4
400.17126	0.3
401.17639	0.8
402.18982	0.3
403.14920	0.2
403.19415	1.0
404.20358	1.2
405.21005	3.4
406.21671	2.2
407.22293	3.5
408.23038	0.4
413.17719	0.6
414.18649	0.6
415.19226	1.8
416.20010	0.6
417.16605	0.5
417.21051	0.7
418.21997	0.5
419.18457	0.9
419.22433	1.3
420.23642	0.9
421.23944	3.6
422.24512	1.0
424.18658	0.2
427.19235	0.5
428.20035	0.7
429.20993	1.8
430.22125	1.1
431.18085	0.6
431.22717	0.6
432.19064	0.9
433.15811	0.5
433.20120	1.5
433.24536	0.9
434.20517	0.4
434.25522	0.3
435.21954	0.4
437.19342	0.2
441.21106	0.3
442.21326	0.2
443.22495	0.8
444.23532	1.2
445.20416	1.4
446.21115	0.7
447.17322	2.2
448.18689	0.6
449.23642	0.9
451.21698	0.4
452.21906	0.8
456.19388	0.4
457.24689	1.4
458.21524	0.3
458.25183	0.2
459.22021	1.8
460.23328	1.2
461.19055	4.6
462.20233	2.5
463.20898	1.6
464.21671	0.3
465.22833	0.2
470.21387	0.4
471.18021	0.5
472.22946	0.9
473.19940	0.8
474.20050	1.2
475.21066	7.7
476.21869	5.9
477.22482	5.4
478.23483	1.3
479.24258	0.8
482.21466	0.2
484.18909	0.5
485.23785	5.2
486.19751	2.5
487.20093	1.3
488.21765	1.0
489.23016	5.2
490.23160	0.7
493.22562	1.1
494.26672	0.7
497.23599	0.6
498.20236	0.3
499.21219	3.2
500.22073	1.6
503.24600	6.3
504.25610	1.6
505.21942	1.0
507.24063	0.5
513.22559	1.1
514.23639	0.4
515.24414	4.5
516.24597	0.6
517.22296	2.0
518.22980	0.8
521.26093	3.0
522.26031	0.4
531.23932	8.7
532.24561	1.1
532.31891	0.2
533.25494	0.6
534.23010	0.2
535.23389	0.8
541.22235	0.5
548.24060	0.5
549.24823	1.9
550.25726	3.6
551.26294	0.3
559.23444	4.7
560.23846	0.6
563.26465	1.2
577.24542	2.0
578.24438	0.2
591.26007	14.8
592.26355	1.7
609.27051	100.0
610.27362	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
69.13435	1.4
69.13862	1.8
105.27007	0.4
130.45607	0.4
209.10968	0.4
223.12300	0.7
223.99132	0.4
224.13120	0.5
332.83008	0.4
374.16367	0.5
375.17160	0.5
376.17157	0.7
377.17908	1.5
378.18210	0.4
385.15094	0.6
387.15411	0.5
388.17438	0.5
389.18188	1.0
390.18729	1.6
391.19150	2.5
392.20096	2.0
393.20856	0.5
400.17026	0.9
401.17618	0.7
402.18314	0.5
403.19611	1.2
404.20395	1.3
405.21063	3.7
406.21777	2.1
407.22223	2.7
408.22379	0.6
413.17624	0.9
414.18787	0.6
415.19296	2.8
416.20029	0.7
417.21152	0.7
418.17352	0.7
419.18420	1.4
419.22855	1.4
420.23315	1.3
421.24014	4.0
422.24573	0.8
427.19366	1.0
428.20236	0.6
429.21054	3.0
430.21771	1.5
431.18048	0.5
431.22897	0.7
432.19241	0.9
433.15875	0.9
433.20358	1.7
435.21771	0.5
441.21021	0.7
442.21530	0.7
443.22421	1.1
444.23325	1.2
445.20425	1.7
446.21106	0.7
447.18271	1.8
448.18491	0.6
452.22385	0.5
457.24612	2.0
459.21994	1.4
460.23230	0.9
461.19052	5.3
462.20197	2.5
463.21118	1.1
471.18097	1.0
472.22583	0.5
473.18933	0.8
474.20721	1.2
475.20966	6.5
476.21771	4.9
477.22385	3.7
478.23578	1.0
484.19705	0.5
485.23660	6.0
486.19995	2.4
487.20813	0.7
488.21774	1.4
489.23096	4.2
490.24002	0.5
493.22122	0.9
497.23486	0.6
499.21298	1.8
500.22372	1.3
502.23425	0.6
503.24646	4.0
504.23428	0.5
507.24127	0.6
513.22729	0.9
515.24384	5.2
516.25665	0.6
521.25415	1.8
531.23950	13.3
532.24664	1.6
541.22321	0.9
549.25079	1.6
550.25830	2.8
559.23401	5.8
560.23846	0.8
577.24670	1.2
591.26001	33.9
592.26428	5.2
609.27075	100.0
610.27423	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	609.2707
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03941	0.5
55.01873	0.5
55.05513	3.7
57.03440	0.8
57.07086	0.6
65.03922	0.6
67.05509	8.4
69.07081	3.2
69.29595	2.1
69.30003	0.9
71.04952	0.5
73.04767	0.6
79.05491	8.8
81.03412	0.7
81.07060	9.1
83.04989	0.8
83.08623	1.5
90.53349	0.4
91.05460	7.3
93.07043	11.4
95.04980	1.9
95.08604	7.7
97.06538	1.6
97.10223	0.4
98.01267	0.4
105.07030	6.5
107.05006	0.6
107.08601	8.4
109.06515	1.7
109.10153	3.5
117.07012	2.6
119.08575	4.9
121.10146	3.4
123.08065	0.6
123.11694	1.0
129.07019	1.3
131.08569	4.3
133.10114	3.1
135.11694	3.9
137.06027	0.4
141.07034	0.8
143.08589	1.5
145.10112	4.8
147.11665	2.2
149.09656	1.3
149.13257	1.0
155.08588	0.8
157.10173	1.7
159.11688	3.5
161.13289	1.5
163.11197	0.6
169.10176	1.0
171.11662	2.2
173.13292	1.7
175.14867	0.6
181.10147	0.9
183.11703	1.5
185.13260	1.3
187.11163	0.6
187.14798	0.6
195.11748	0.5
197.13304	1.2
201.16423	0.7
209.13387	0.5
219.17368	0.9
225.16316	0.5
229.19505	0.6
239.18028	1.2
245.48810	0.5
252.57596	0.4
257.18997	3.1
275.20056	6.2
331.22803	0.6
335.25876	1.2
355.07120	1.0
376.17087	0.7
390.18564	1.4
391.19305	1.5
392.20023	0.5
401.17905	0.5
403.19470	0.5
405.20795	3.1
415.19351	1.2
417.20868	0.7
418.17630	0.6
419.18362	1.0
419.23022	0.8
420.23282	1.0
421.24008	0.9
429.20819	0.9
431.22781	1.0
432.15674	0.8
433.19717	3.3
434.20419	0.5
435.21741	1.2
444.23447	0.7
446.17557	0.7
447.17859	9.9
448.23288	2.9
449.23508	2.8
450.23901	0.5
452.22107	1.2
459.21130	2.4
460.22726	2.2
461.19434	8.4
462.20621	1.3
463.21338	1.6
472.22974	0.8
473.23764	0.8
475.21457	0.9
476.22083	25.1
477.22681	5.9
479.20578	0.8
485.23474	0.9
487.25150	1.8
489.19266	1.4
490.23578	0.5
492.24966	0.8
500.22742	0.5
508.24515	0.7
517.41016	0.7
518.22839	0.6
519.23792	2.8
521.21356	0.7
531.24030	7.9
532.24457	1.9
533.25604	0.9
535.41547	0.6
549.24988	9.1
550.25464	1.4
563.27570	0.5
591.26117	1.9
591.44427	0.7
609.27069	100.0
609.43738	11.2
610.27319	12.2
610.45990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01881	0.5
55.05505	1.0
60.24679	0.3
67.05517	2.4
69.07074	1.2
70.46481	0.5
70.46805	0.3
70.97846	0.3
71.83214	0.3
79.05508	2.5
80.94864	0.3
81.07062	2.4
83.08618	0.4
91.05460	2.3
93.07050	2.3
95.08612	1.9
97.06537	0.4
97.10174	0.4
104.75574	0.2
105.04545	0.4
105.07035	2.0
107.08580	1.4
109.10170	0.8
117.07027	0.8
119.05006	0.3
119.08578	1.4
121.10155	0.7
129.07056	0.3
131.08577	0.6
133.10147	1.0
135.11714	0.5
143.08598	0.5
145.10176	0.9
147.11725	0.7
149.09650	0.4
149.13277	0.3
151.07549	1.2
152.07874	0.4
155.08597	0.5
157.10187	0.7
159.11760	0.7
161.13339	0.3
169.10135	0.3
171.11749	0.5
173.13261	0.6
183.11668	0.6
185.13304	0.5
197.13120	0.3
201.16469	0.3
209.10695	0.3
211.14931	0.5
223.12379	0.3
235.12552	0.3
242.28130	0.3
257.19086	0.3
275.20020	1.5
355.07162	0.6
369.36328	0.3
375.16370	0.3
377.17773	0.6
387.16354	0.3
389.17642	1.4
390.18295	0.6
391.19037	1.5
392.20120	0.5
393.20691	0.4
401.17798	0.5
402.18512	0.8
403.19482	2.1
404.20026	1.0
405.16476	0.2
405.20874	3.1
406.21539	0.9
407.22440	1.5
415.19589	1.2
416.20084	0.7
417.16803	1.0
417.21619	2.3
418.17206	0.5
418.21997	0.6
419.17822	0.7
419.22955	3.2
420.23337	1.5
427.19659	0.3
429.17010	0.9
430.17056	1.8
431.17960	3.3
432.18582	1.8
433.20181	7.6
434.20865	1.5
435.21881	1.0
443.18265	1.7
444.19000	2.4
445.19785	3.7
446.21036	3.3
447.22018	5.0
448.23178	1.2
449.23779	0.4
457.20386	0.4
458.21014	5.6
459.21628	5.9
460.22836	3.6
461.19958	1.2
462.19818	0.4
463.20908	3.4
464.21524	0.4
465.23108	0.5
472.22842	0.4
473.23325	0.8
474.20587	0.4
475.21362	1.3
475.25946	0.3
476.21606	1.4
477.22937	1.8
478.23453	0.8
479.24734	0.4
485.23376	0.3
487.25275	0.5
489.23529	0.4
490.23730	0.9
491.20840	0.8
493.23746	0.3
499.38562	0.3
503.20682	0.8
503.24179	0.8
504.25150	0.4
516.21747	0.4
517.22406	1.0
518.22992	3.4
519.23853	10.3
520.24335	1.2
521.22150	2.2
531.24164	1.8
532.24658	1.5
533.24835	0.4
535.23444	0.5
549.24969	3.7
550.25909	0.5
563.26318	0.6
573.24902	0.6
591.25964	12.3
591.42358	0.4
592.26379	1.7
609.27051	100.0
609.44629	3.6
610.27405	13.1
610.37372	0.5
610.44086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03944	1.2
55.05500	3.1
57.03423	1.1
60.21645	0.6
66.01636	0.6
67.05512	7.4
68.30597	0.7
69.03407	0.8
69.07056	2.5
70.46194	1.2
79.05500	5.7
81.07060	8.1
83.04990	0.7
83.08606	1.5
91.05469	6.4
93.07051	7.2
95.08608	5.8
97.06552	0.7
97.10195	0.8
105.07043	4.8
107.08585	4.6
109.06578	0.9
109.10182	2.5
117.07034	2.8
119.07818	0.9
119.08579	4.0
121.10164	3.4
129.07025	0.9
131.08585	3.5
133.10132	3.2
135.11716	2.9
141.07132	1.0
143.08604	1.4
145.10106	4.5
147.11697	1.7
149.09668	1.3
149.13304	0.8
150.03287	0.8
157.10159	1.4
159.11725	2.4
161.13293	1.0
169.10185	1.3
171.11751	1.6
173.13271	1.4
180.51195	0.7
183.11742	0.7
185.13145	0.6
187.14922	1.0
239.17987	0.9
257.19095	1.6
275.20160	2.8
285.01001	0.7
331.22586	0.7
355.07141	1.5
403.19580	0.8
405.21014	1.4
415.19232	1.5
416.19827	1.3
417.21237	0.8
418.21698	0.9
419.22836	1.5
429.20490	3.0
430.21750	1.1
431.18155	1.0
433.19250	0.9
433.24176	2.4
443.22290	1.7
444.23111	2.0
445.24530	1.1
447.22223	1.5
449.23621	1.9
459.21387	3.5
460.22778	3.9
461.18857	2.0
461.23550	4.2
462.20538	2.2
472.22708	3.4
473.23059	1.9
475.20514	0.8
475.25598	1.1
476.22150	6.4
477.22958	3.4
485.23376	2.0
487.25317	4.2
489.22672	3.0
490.23700	0.8
503.24136	2.2
519.23920	2.4
521.21478	3.9
531.23969	29.1
532.24451	6.2
546.32111	0.8
549.24945	16.8
550.25433	2.2
591.26050	4.2
609.27063	100.0
609.44952	7.7
610.27362	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	609.452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99415	1.3
51.02385	2.9
53.03945	7.8
55.01886	6.0
55.05513	32.3
57.03435	5.9
57.07073	3.9
65.03944	7.3
67.05508	77.2
68.05836	1.9
69.03446	2.7
69.07072	22.4
71.04991	5.4
77.03922	1.8
79.05495	100.0
81.03424	3.6
81.07060	70.1
82.07401	2.8
83.04987	10.8
83.08622	10.6
85.06562	3.0
87.04539	1.2
91.05479	72.0
92.05849	1.8
93.07047	76.9
94.07373	1.4
95.04962	12.3
95.08607	47.1
97.06519	6.6
97.10184	5.5
99.04475	1.8
99.08105	1.5
103.05460	2.0
105.04548	2.4
105.07034	51.1
106.07370	2.2
107.04959	13.4
107.08597	51.0
109.06528	9.0
109.10153	22.9
111.08118	3.6
111.94271	1.4
115.05484	2.9
116.06215	1.7
117.07034	21.5
119.08585	41.0
121.06538	3.1
121.10159	27.6
123.08075	4.1
123.11727	6.7
125.09670	4.3
126.21815	1.2
128.06233	3.0
129.07001	8.8
130.07762	1.2
131.08575	34.3
133.10135	36.2
135.08098	5.5
135.11708	16.2
137.09653	3.9
137.13455	1.2
141.07059	3.4
142.07838	2.0
143.08575	9.2
144.09361	1.8
145.10121	31.6
145.11224	2.2
147.11688	18.7
147.12755	1.7
149.09621	24.5
149.13260	7.0
151.11186	1.7
153.09174	1.5
155.08620	4.4
157.10104	9.9
159.11702	18.9
161.09694	1.8
161.13277	8.5
163.11226	3.6
163.14861	3.6
169.10135	6.5
169.12253	1.8
171.11620	7.7
173.11845	2.7
173.13316	10.8
175.14909	3.7
177.12802	2.0
179.14363	1.7
181.10153	2.6
183.11687	7.1
185.13231	7.0
187.11229	1.6
187.14955	2.2
189.11298	1.7
191.14403	2.9
195.11778	4.1
197.13280	6.5
199.14912	3.4
201.16400	3.9
203.14418	1.6
209.15451	3.6
211.14883	2.8
213.16519	2.1
219.17445	41.9
229.19620	3.3
235.14827	1.6
237.16518	2.3
239.17998	5.4
247.20665	2.1
257.19016	15.0
258.19537	1.4
261.22275	3.1
275.20062	54.2
276.20532	3.9
293.21179	2.8
331.22705	3.3
335.25900	5.3
355.07059	2.0
448.50009	1.5
494.68292	1.3
517.40240	2.4
535.41412	1.9
591.43939	2.9
609.27405	4.7
609.45172	86.5
610.45587	12.9
629.09863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.0
58.02407	1.1
61.01120	1.7
64.48602	0.7
67.05508	2.2
69.59906	3.5
71.08649	0.8
73.04760	47.4
75.02654	1.1
79.02174	1.5
79.05502	2.4
81.07062	3.1
81.19334	0.9
86.35232	0.8
91.05801	100.0
93.03733	1.4
93.07060	2.3
95.08595	3.0
105.07050	1.2
107.08633	1.4
109.06862	1.2
109.10178	1.4
114.07362	8.9
119.08562	1.5
121.10138	1.3
131.08595	1.4
133.10191	1.0
135.11806	0.8
145.10089	1.2
149.04512	7.0
167.05559	30.6
168.05629	1.3
169.03534	0.9
190.07201	1.5
221.08365	4.7
225.04350	5.9
239.09499	33.6
240.09723	1.8
266.99896	8.2
268.97897	16.5
269.97763	1.4
281.04974	1.3
283.03110	7.5
284.02966	1.2
285.00974	35.6
286.01111	3.4
299.06183	31.5
300.06290	3.5
303.02036	4.2
344.97580	8.2
355.06995	78.5
356.07062	8.3
371.10281	1.5
373.08081	8.4
378.99759	0.9
400.98755	1.2
402.96390	7.7
403.96100	1.3
415.03644	6.3
418.99533	12.0
419.99585	1.1
489.05478	2.6
610.18085	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43531	0.2
50.67486	0.2
55.01876	0.5
57.03421	0.3
60.04531	0.3
61.02925	0.3
63.14728	0.2
65.03944	0.8
69.03431	0.9
70.06595	0.6
71.05024	0.2
73.04770	0.5
76.03172	0.3
77.03936	0.5
77.18159	0.2
81.03429	0.6
82.09515	0.2
83.01312	0.2
84.08174	0.2
85.02900	2.6
86.09699	0.4
87.09999	0.2
89.03911	0.5
89.70212	0.2
91.05475	14.2
92.05824	0.3
97.02907	0.6
98.22589	0.6
103.05478	0.4
105.03407	0.3
105.07010	0.3
107.04987	0.2
109.02853	0.3
118.04164	0.3
119.04948	22.8
120.05285	0.7
120.08112	0.2
121.06586	0.2
122.03609	0.2
127.03928	0.6
129.03397	0.6
130.99130	0.2
131.04906	0.5
132.02087	0.9
133.02837	0.4
133.06444	0.2
135.04417	0.5
136.05264	0.2
136.07591	0.2
137.05963	1.5
145.02872	0.4
145.04967	0.5
145.06511	0.2
146.03629	0.7
147.04408	19.8
148.04779	0.7
149.02342	0.5
153.01779	0.5
157.03983	2.2
160.01495	0.2
161.06039	0.6
162.07663	0.2
164.04749	1.0
173.05960	0.4
174.03094	0.7
175.03906	38.9
176.04289	1.5
179.07059	1.4
180.08670	0.4
192.04199	1.8
193.08618	0.3
207.06523	100.0
208.06848	3.7
225.07497	0.4
239.09567	0.3
272.65497	0.2
279.08670	0.7
285.00916	0.4
287.05502	13.7
297.11203	0.5
299.06097	0.2
355.06931	0.8
395.09912	1.1
413.10861	6.3
414.11191	0.3
449.10709	1.7
526.31836	0.2
555.17517	0.2
610.21301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01867	1.9
57.03435	1.2
61.02918	1.2
65.03944	0.6
68.99797	0.9
69.03432	8.0
70.06578	0.8
70.33131	0.8
70.33469	1.1
71.04997	1.3
73.02908	1.5
73.04750	0.8
79.05498	0.9
81.03410	7.8
81.07072	1.0
85.02426	1.0
85.02909	16.1
86.09732	0.6
87.00833	6.5
91.05430	4.8
94.04190	2.2
95.04995	0.7
97.02893	5.8
99.04465	3.3
103.05475	4.3
104.56680	0.7
105.01873	4.8
105.03378	1.1
105.07047	2.8
107.04930	0.6
109.02879	8.1
109.06506	1.3
115.05461	1.3
117.01866	1.0
117.07014	2.6
119.04948	4.9
122.03660	5.3
127.03918	13.5
129.01859	1.0
129.06998	0.7
131.04936	11.9
133.06509	2.6
135.04411	1.8
137.05977	100.0
138.06316	2.5
143.04926	0.7
145.04953	5.7
145.06461	4.2
147.02849	1.0
147.03064	0.7
147.04413	22.0
147.08054	0.5
149.05980	1.5
150.06755	0.8
151.03912	0.6
151.07549	1.3
153.01845	3.8
155.04913	0.8
157.06514	0.9
159.02875	4.4
161.02301	0.8
161.05981	22.5
162.06723	2.0
163.07561	3.7
165.05405	0.6
173.05984	11.4
175.07611	1.0
178.07771	0.8
179.07047	1.0
185.05972	4.4
189.05431	1.3
190.07739	1.1
191.08521	4.6
202.07794	1.8
203.07021	2.1
203.08607	2.5
206.07388	0.8
209.09703	0.6
215.06923	0.7
218.07335	0.9
219.08070	6.8
220.08659	1.1
221.09625	0.7
231.04961	2.3
231.08080	4.4
234.06793	0.5
235.07501	0.9
236.08078	0.6
237.09134	3.1
241.08855	0.6
247.07556	2.8
248.08124	1.8
249.09164	2.5
251.10669	6.5
259.07568	2.1
263.10593	0.9
264.07608	1.2
265.08633	4.2
266.09277	1.3
269.11765	0.9
276.07593	0.7
277.08609	7.7
279.10114	4.2
282.08841	1.2
285.00937	0.7
287.05499	73.3
291.10132	1.9
297.11221	38.5
298.11441	1.9
299.06058	0.6
309.11203	15.8
310.11462	1.0
311.12769	0.8
321.11206	3.5
327.12244	2.1
337.85056	0.7
339.12146	2.8
351.12311	1.6
355.06979	0.7
382.67526	0.6
387.12234	0.8
405.13297	0.9
449.10767	11.8
509.14389	1.1
527.15314	0.9
593.03912	0.6
609.24438	0.7
610.24329	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	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
51.05992	0.8
53.03942	2.2
55.01869	3.2
55.05499	2.1
57.03433	2.5
57.07066	1.5
59.04987	0.9
61.02917	2.6
62.75188	0.6
67.05502	3.2
68.03919	0.6
68.99799	2.1
69.03431	8.3
69.07059	2.4
70.06605	1.1
70.92997	0.8
71.01343	0.6
71.04988	2.6
72.55373	0.6
73.02908	6.0
73.04752	1.9
79.05489	5.6
81.03426	5.5
81.07057	9.9
83.04988	3.3
83.08614	1.5
85.02902	15.4
85.06532	1.2
86.09707	1.2
87.00832	4.5
87.04486	1.0
91.03937	1.9
91.05477	4.6
93.07040	7.4
93.11468	0.6
95.04969	16.9
95.08603	4.5
97.02898	7.4
97.06517	2.9
99.04453	5.7
101.02383	2.7
102.74585	0.6
103.05476	0.7
105.01899	1.5
105.07029	7.7
107.04984	0.9
107.08602	7.8
109.02877	10.2
109.06515	11.1
109.10144	7.1
109.16653	0.6
110.06807	0.7
111.00800	0.9
111.04405	0.7
111.08080	1.8
112.12783	0.7
115.03918	1.9
117.01862	1.6
117.07034	1.8
117.92905	0.7
119.03414	3.3
119.08581	29.9
120.08950	1.0
121.06523	1.3
121.10146	7.2
123.08061	2.8
123.11708	3.2
127.03909	10.2
129.01816	0.8
131.08569	4.7
133.05002	2.0
133.10129	20.7
134.10440	1.2
135.04387	1.4
135.08035	2.9
135.11697	1.8
137.05956	1.2
137.09622	1.3
139.11172	2.5
141.01842	3.8
143.03415	0.9
143.08514	1.2
144.86510	0.7
145.04930	5.1
145.10115	4.3
147.07986	0.8
147.11722	4.9
149.05948	1.0
149.09532	0.9
149.13246	5.3
151.07529	0.8
151.11145	2.5
152.07146	0.8
153.01819	4.4
153.05417	0.9
153.09096	5.4
157.10117	1.0
158.10915	2.1
159.02884	6.1
159.11728	1.1
161.02339	1.0
161.04488	1.0
161.09633	1.5
163.06044	1.4
163.11163	1.5
163.14767	1.1
165.12727	1.1
167.14285	1.3
173.09714	0.7
173.13272	12.1
175.11237	0.7
175.14841	1.5
187.02379	3.2
187.11166	0.8
187.14841	0.8
191.14313	19.4
192.14612	0.8
201.03860	0.8
205.03407	4.2
209.13568	1.2
209.15361	8.9
213.03845	0.8
215.14264	0.9
227.16449	1.3
230.11768	0.8
231.04987	0.9
233.11768	1.7
239.09677	0.9
247.14294	1.3
248.09148	0.7
259.08282	0.8
277.05539	2.1
285.00955	1.2
287.05493	100.0
295.10287	0.7
299.05988	0.6
301.64090	0.6
331.06610	2.8
349.07605	2.1
355.07083	2.2
449.10776	17.9
610.20642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03947	8.2
55.01877	2.5
55.05516	11.3
57.03440	2.6
57.07071	2.6
57.31190	0.9
65.03941	3.0
67.05506	33.7
68.14594	1.0
69.03439	9.0
69.07066	12.8
69.11571	1.9
69.11973	6.5
71.05000	2.3
73.02904	1.0
73.04796	2.5
75.70421	1.0
77.03944	1.8
79.05499	34.6
79.05968	1.7
80.05853	2.0
81.03426	15.2
81.07059	38.2
82.07395	2.5
83.04990	3.7
83.08634	5.0
85.02901	6.2
91.05461	44.1
92.05793	2.6
93.07047	100.0
94.07401	3.9
95.04958	9.8
95.08608	25.1
96.08940	2.9
97.02910	5.3
97.06538	6.2
97.10185	3.2
99.04475	2.1
103.05498	1.3
104.27337	1.0
105.04501	2.5
105.07030	25.9
106.07372	1.9
107.04987	1.4
107.08597	97.5
108.08934	4.1
109.02888	2.7
109.06544	6.1
109.10152	10.8
111.04420	2.0
111.08089	2.4
115.05450	1.3
117.07027	8.1
119.06100	2.3
119.08594	15.5
121.10156	11.1
122.10448	1.4
123.08085	2.3
123.11705	4.0
125.09606	1.4
127.03925	2.7
128.06216	1.2
129.07040	5.2
131.08566	11.8
132.08923	1.8
133.06490	2.4
133.10117	12.6
135.08055	2.0
135.11702	50.7
136.12041	2.6
137.09619	1.3
137.13271	1.7
141.07045	2.5
143.08543	5.1
145.06529	1.8
145.10139	12.5
146.10507	2.0
147.08005	1.2
147.11713	7.5
148.11960	1.5
149.09659	2.9
149.13286	4.5
151.07523	1.2
154.07831	1.1
155.08524	2.8
157.10146	3.1
159.08051	1.4
159.11723	6.5
160.12131	1.8
161.09631	1.8
161.13245	3.9
163.11194	2.0
167.05508	1.7
167.08636	1.4
169.10120	3.1
171.11693	3.7
173.09697	1.5
173.13284	4.4
174.13657	1.3
175.11221	1.9
175.14764	1.5
183.11711	4.1
185.13313	2.8
187.14807	3.4
191.14340	1.4
197.13264	2.5
201.16414	1.7
211.14772	1.4
215.18018	1.3
221.13257	1.1
239.09477	2.3
241.19431	1.3
243.21010	2.2
258.19510	1.5
259.20703	1.9
261.22147	2.6
275.20084	5.7
276.20407	2.0
277.84164	1.0
285.01093	1.9
287.05557	6.2
299.06226	1.7
303.23343	1.3
355.07083	5.2
369.24265	2.5
387.25421	2.6
405.26331	2.7
542.38934	1.1
610.26740	3.4
610.45508	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41523	0.6
68.98245	4.8
68.98656	1.5
77.96734	0.7
94.93015	2.8
98.97588	1.0
122.84397	0.6
128.98624	0.7
130.00233	1.0
136.00252	0.8
136.94020	1.6
139.00758	1.5
145.00786	3.2
151.00800	1.0
157.00824	0.9
160.01309	2.2
162.95639	0.8
169.01805	1.3
175.01973	0.6
176.93536	2.9
181.01880	3.0
181.51849	0.8
182.93762	1.1
187.01822	0.7
190.02336	0.8
196.02264	1.3
200.94868	0.9
202.02299	1.3
206.94608	0.9
211.02943	2.2
224.94815	1.6
232.03485	4.1
232.53662	0.9
242.95853	0.7
262.04480	1.1
268.94775	8.7
268.98251	100.0
269.98630	2.9
284.96878	0.7
286.94757	1.5
292.05569	3.8
292.93231	1.4
304.95901	1.3
310.98361	0.8
328.95709	2.2
328.99487	2.3
340.99756	0.8
342.18811	0.8
347.00482	1.9
358.69504	0.7
373.08047	0.9
381.07962	5.5
389.01910	0.9
415.53122	0.7
420.40826	0.7
477.08395	1.6
525.85419	0.8
611.05353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
67.01832	0.3
68.99776	0.2
69.04372	0.2
69.04772	0.7
69.35490	0.1
117.70555	0.1
129.01797	0.1
134.00644	0.1
135.04413	1.1
137.02295	0.3
153.01819	3.4
161.02325	0.3
171.02866	0.2
179.03360	0.2
203.03383	0.1
241.04962	0.3
269.04398	0.4
287.05481	100.0
288.05817	5.7
288.10583	0.1
343.06766	0.1
449.10779	12.6
450.11157	1.4
547.50037	0.1
611.16351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74363	0.1
53.93978	0.1
61.02920	0.1
67.01838	0.3
68.99775	0.3
69.03404	0.3
70.87447	0.4
75.01385	0.1
85.02898	0.6
97.02876	0.3
108.02152	0.1
109.02844	0.1
117.49662	0.1
119.77637	0.1
126.27029	0.1
127.03875	0.2
135.04411	1.3
136.04944	0.1
137.02330	0.4
137.05959	0.3
140.78682	0.1
153.01819	4.1
161.02281	0.3
171.02829	0.3
179.03352	0.3
203.03435	0.2
213.05342	0.1
241.04968	0.3
259.05826	0.2
269.04453	0.4
286.04773	0.2
287.05481	100.0
288.05829	4.9
449.10767	32.7
450.11096	3.0
611.15900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.92891	0.1
57.03434	0.1
67.01869	0.6
68.99787	0.5
69.03426	0.4
71.04989	0.1
71.17159	0.1
72.36829	0.1
74.77295	0.1
77.96529	0.1
79.05482	0.1
81.03410	0.1
85.02908	1.0
86.09722	0.1
89.03925	0.2
97.02911	0.3
105.07018	0.1
107.04887	0.1
109.02880	0.2
111.04439	0.1
113.39091	0.1
117.03373	0.2
127.03905	0.3
129.01857	0.1
129.45561	0.1
131.04892	0.1
133.06522	0.1
135.04417	1.8
137.02342	0.6
137.05981	0.6
145.04955	0.3
145.06432	0.1
153.01830	5.5
161.02316	0.7
171.02942	0.5
179.03404	0.3
189.05452	0.1
198.78105	0.1
219.13754	0.1
241.04909	0.6
245.04524	0.1
259.06119	0.1
263.05487	0.1
269.04410	0.4
286.04733	0.1
287.05496	100.0
288.05832	6.7
299.05655	0.1
303.04797	0.1
329.06381	0.2
356.07037	0.1
375.13071	0.1
449.10757	0.7
475.30252	0.1
476.10797	0.1
611.21191	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
55.01871	0.2
57.03441	0.1
60.04531	0.2
67.01862	0.3
68.99805	0.3
69.03425	0.4
70.06600	0.8
71.05005	0.7
71.31540	0.1
73.04760	0.3
79.20259	0.1
81.03420	0.2
84.04498	0.2
84.08150	0.3
85.02911	1.9
86.09708	0.8
91.05804	0.5
97.02905	0.4
105.07022	0.2
109.02939	0.1
110.07175	0.8
111.04466	0.1
111.91996	0.1
117.03423	0.1
127.03911	0.2
129.05502	0.1
129.10255	0.3
135.04427	1.3
136.07565	0.2
137.02347	0.4
145.04924	0.2
153.01825	3.7
156.07671	0.3
161.02309	0.3
161.05959	0.2
171.02913	0.4
177.05486	0.2
179.03389	0.3
199.24239	0.1
201.05579	0.2
207.06451	0.1
213.05438	0.1
215.13977	0.2
229.05072	0.2
239.09476	0.3
241.04927	0.3
245.18742	0.2
268.97888	0.1
269.04361	0.3
287.05490	100.0
288.05829	5.4
299.05759	0.3
303.01794	0.2
303.04987	3.2
304.05267	0.3
355.07016	0.2
356.07101	0.4
423.19131	0.2
449.10803	5.7
450.10986	0.4
465.10309	0.3
611.19696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2121
Annotation	2,4-Divinylprotochlorophyllide
Peak:m/z	Relative Intensity
51.02383	0.9
53.03942	1.6
55.01878	11.6
55.77701	0.9
56.59125	0.7
56.89012	0.9
60.85535	0.7
65.03944	29.4
67.05514	3.9
69.03435	1.4
69.47124	4.4
71.01368	1.7
71.29507	0.8
73.04757	2.2
77.03930	1.4
79.05503	3.5
81.03427	1.5
81.07061	2.2
82.04198	5.7
83.04983	1.0
85.02895	5.5
87.58599	0.7
91.05416	6.1
93.03411	10.7
94.04194	1.2
94.11376	0.8
95.01324	4.1
95.04975	5.7
96.44899	0.8
97.06538	3.7
98.23315	1.6
103.05476	2.3
105.03411	4.0
105.04504	1.5
105.07018	1.3
105.50655	0.9
107.04956	7.8
108.02134	2.9
109.02892	0.9
109.06516	3.1
110.03658	20.7
110.04346	1.3
111.04462	24.8
115.05492	2.3
117.07034	2.0
118.04278	0.9
119.04936	2.5
120.08198	0.9
121.02879	20.5
121.03860	1.3
121.06522	1.8
122.03635	1.5
123.04424	4.4
124.05215	1.0
125.05997	26.0
128.06223	0.9
131.04919	3.8
133.02867	6.3
133.06522	2.5
135.04439	1.8
137.02370	0.8
137.05994	11.8
138.03136	3.6
140.04698	2.9
142.02609	1.8
144.05768	0.8
145.06502	5.0
147.04446	3.1
147.08136	1.0
148.05234	2.4
149.02333	1.6
149.05992	1.7
151.03894	5.2
151.04990	0.8
151.07567	3.5
152.06268	1.2
153.05470	95.0
154.05875	3.5
155.07063	2.5
160.05234	0.9
161.06030	2.8
162.06801	1.0
163.03908	1.4
165.05498	12.4
165.07011	4.0
166.06148	1.8
167.07053	11.0
167.08417	1.3
168.05716	1.1
170.03709	0.8
171.06512	2.5
172.03996	1.0
173.05945	5.1
174.06781	2.8
175.03969	1.1
175.07526	2.0
177.05489	4.1
177.06871	1.0
178.07805	6.1
179.07028	2.1
179.08534	4.4
180.04192	1.0
180.07817	4.6
181.04971	58.3
181.06451	4.9
182.05392	2.9
183.06561	0.9
183.08052	1.2
185.06001	1.6
187.07513	1.8
188.04692	1.0
189.05469	1.1
189.07039	3.0
190.04971	1.3
190.07831	1.5
191.07013	4.1
191.08626	3.2
193.04980	5.8
193.06543	1.5
194.07236	4.4
195.06557	1.1
195.08139	2.6
196.08817	1.3
197.06091	1.5
197.08145	2.4
201.05540	3.4
202.06299	2.7
203.07092	2.7
205.04854	1.6
205.06564	4.6
206.07240	5.7
207.06329	5.5
207.08168	9.0
208.07242	11.0
209.05994	2.8
209.07950	1.5
210.06847	1.4
211.07568	2.3
213.09186	0.8
215.07071	3.1
217.06612	1.4
218.07246	2.8
219.08095	2.7
220.05328	1.3
221.05980	2.7
221.09653	2.9
222.06721	2.1
223.07562	4.8
224.08286	8.6
225.07492	13.4
226.08261	6.8
229.04942	1.0
230.05794	0.9
233.06050	2.0
234.06737	6.7
234.08852	1.1
235.07578	7.1
236.08171	4.6
237.05504	3.6
237.09135	4.7
239.07112	1.2
239.10660	1.8
241.08626	1.0
245.05853	0.7
245.08115	14.3
247.07579	1.7
248.04810	1.0
249.05400	1.1
249.09077	6.3
250.06299	1.9
250.09547	1.0
251.07024	6.1
252.07803	23.7
253.04948	1.0
253.08472	5.0
261.05511	1.3
262.06305	3.4
263.06998	4.3
264.07666	4.1
265.05896	1.3
265.08572	8.1
266.09366	2.5
267.07159	1.4
267.10172	12.9
269.08087	2.7
269.12750	1.0
275.07114	1.8
277.05667	0.9
277.08612	5.2
278.05841	1.0
278.08908	0.9
279.06589	4.1
279.10172	2.2
280.07303	8.6
281.07999	7.6
282.08807	1.0
287.05533	1.6
289.08646	1.3
290.05981	1.2
291.06418	1.4
292.07315	4.2
293.08151	4.9
294.09003	2.6
295.09656	20.0
296.10376	3.2
297.07648	2.6
297.11362	1.3
299.06226	1.4
300.06476	1.1
303.05884	1.0
305.07986	2.0
307.09702	2.7
308.07043	1.8
309.07767	3.8
309.10776	1.1
310.08215	0.9
311.09177	1.0
312.09769	1.4
319.09622	1.9
322.08322	1.7
323.09143	85.4
324.09601	8.2
325.10748	4.0
327.12363	2.6
335.09171	2.2
336.09732	1.8
337.10522	4.4
339.12317	2.6
349.10617	2.4
351.12222	1.9
353.10114	4.5
355.11746	100.0
356.07214	2.6
356.12115	8.7
357.13376	1.7
367.11795	10.0
368.12509	1.7
385.12784	6.2
387.14322	1.1
393.13269	1.1
399.15436	1.2
446.17020	1.4
458.17078	2.5
499.13818	2.3
567.31268	1.3
590.56952	1.0
611.21710	3.8
611.30237	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	611.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25853	0.5
67.05518	0.8
69.03439	0.7
69.07075	1.0
70.70675	1.1
73.04761	0.7
75.55771	0.5
79.05492	1.1
81.07063	2.8
83.04990	1.3
91.05466	0.7
93.07051	1.4
95.01114	0.7
95.08630	2.0
105.07035	1.3
107.08630	1.4
109.10201	0.7
117.07005	0.7
118.38907	0.6
119.08600	0.8
119.70959	0.5
121.10147	1.1
126.24538	0.5
131.08568	1.0
131.17909	0.5
133.10168	0.7
142.41817	0.7
145.10167	0.7
151.53789	0.6
167.07040	1.1
167.08636	1.6
181.04993	0.9
185.04362	0.8
203.05379	0.7
227.05298	0.9
243.04745	0.6
245.06290	3.9
247.71721	0.6
257.04495	0.7
287.05615	4.2
288.05801	0.6
289.05261	8.2
327.22986	1.8
345.24005	6.5
347.25491	1.1
363.25034	3.9
421.09067	0.8
449.08859	0.7
489.28397	0.7
505.71460	0.6
507.29419	3.8
523.24689	0.8
525.30408	5.6
549.30383	10.3
550.30786	0.8
567.31415	24.6
568.32037	3.3
575.28326	2.4
593.29370	29.0
594.29694	3.4
611.30353	100.0
612.30792	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	611.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.9
65.59731	1.3
66.02339	1.1
67.05506	2.5
69.69567	5.8
71.04975	2.0
73.04758	5.3
79.05505	2.3
81.03397	1.4
81.07061	3.2
91.05866	10.0
93.07053	1.7
95.04980	2.5
103.05452	1.8
105.07059	2.6
107.04971	4.6
109.10129	2.1
110.03679	2.4
110.37133	1.4
111.04477	3.0
114.07333	1.5
121.02855	1.7
121.06425	2.2
121.07295	1.6
123.04441	2.0
125.06030	2.9
131.04976	2.2
133.06525	2.7
137.05992	5.8
139.44460	1.3
149.05962	1.9
151.03896	3.1
153.05447	7.7
161.06032	2.6
163.07602	1.4
165.05498	2.0
167.05698	2.3
167.07074	12.6
177.05501	3.2
179.07074	2.4
181.03477	2.1
181.04941	13.7
181.06306	1.8
183.89120	1.2
191.07146	2.2
198.47342	1.3
205.08694	1.5
207.06503	2.1
209.08014	1.9
211.35083	1.4
222.06604	1.5
225.07605	2.3
229.84111	1.2
234.06810	1.7
239.09470	2.2
241.35831	1.3
245.06375	5.7
267.10336	1.9
275.20013	2.5
287.05621	4.7
289.05301	74.1
290.05786	3.1
300.06277	2.7
318.02130	1.5
323.09250	5.5
345.23999	35.1
346.24445	2.5
347.25641	2.0
355.07117	4.9
355.11884	9.3
356.07169	4.0
363.25018	4.8
385.12912	2.4
525.30243	1.7
567.31097	13.4
593.29272	3.7
611.21991	5.6
611.30408	100.0
612.30792	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	611.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03948	3.7
55.01880	1.6
55.05265	1.6
55.05512	16.8
57.03442	5.9
57.07073	2.5
65.03948	2.9
67.05506	50.8
69.06404	5.4
69.06796	1.4
69.07066	18.2
69.07407	1.3
71.04989	1.9
71.08636	0.9
75.97212	0.9
76.37206	0.8
77.03944	1.8
79.05493	35.0
80.05846	0.8
81.03433	0.9
81.07058	47.4
83.04982	1.9
83.08616	9.7
85.06561	1.6
91.04899	1.0
91.05022	0.6
91.05482	34.9
93.07044	40.4
95.04984	2.9
95.08607	39.8
96.08936	1.0
97.06544	2.3
97.10179	3.5
105.04505	1.1
105.07030	33.7
106.07331	0.9
107.08592	21.9
107.09275	1.7
109.06490	0.9
109.10154	16.0
111.08136	1.4
111.11756	0.8
115.05504	1.6
116.06268	1.0
117.07012	16.3
119.08580	30.5
119.09444	1.5
121.10139	19.6
123.08112	1.5
123.11713	5.9
125.09669	1.2
128.06238	1.9
129.07010	12.8
130.07820	1.5
131.08575	25.4
133.10126	23.5
135.08107	0.9
135.11696	10.5
137.13251	1.5
141.06985	3.4
142.07799	1.6
143.08556	14.9
144.09378	1.4
145.10124	25.6
147.08051	1.2
147.11676	17.8
147.12752	1.3
149.09575	1.3
149.13261	7.2
154.07840	0.9
155.08580	7.2
157.10143	11.6
159.11703	19.7
161.13269	13.3
163.14856	3.0
169.10098	7.8
171.11693	13.3
173.13260	13.4
174.13586	0.9
175.14819	5.8
181.10164	3.5
183.11697	7.9
185.13258	11.2
187.14795	6.3
189.16490	3.1
195.11728	2.5
197.13293	5.2
199.14830	6.9
201.16386	3.5
205.16025	1.1
207.11801	1.4
209.13348	1.8
211.14856	3.2
213.16505	5.1
215.18048	3.1
219.19684	0.9
221.13226	0.9
223.14900	2.0
225.16475	2.6
227.18079	2.4
229.19611	1.6
231.21046	2.3
239.18037	2.0
241.19615	8.7
243.21114	2.4
251.18086	1.0
253.19766	1.0
257.18985	4.8
259.20560	18.3
259.23193	1.1
260.20959	1.4
261.22183	4.3
275.20056	0.9
285.22205	1.0
297.22211	1.4
313.25171	1.5
315.23199	1.5
325.25262	1.2
327.26917	1.1
333.24289	11.8
335.25821	16.5
336.26254	1.3
337.27640	1.2
339.26950	1.5
351.26431	1.0
353.28601	1.4
371.25681	1.0
477.22009	1.2
478.22638	1.7
487.23901	2.6
489.36200	1.0
491.23608	1.2
505.24915	1.5
517.24915	2.0
519.41937	6.2
520.42328	1.4
533.24585	3.7
537.43304	3.5
538.43469	1.2
541.38861	1.8
542.39722	1.1
561.24249	3.3
593.26520	10.0
593.45709	7.5
611.27838	23.5
611.46674	100.0
612.28442	2.0
612.46967	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
54.11378	0.9
55.01875	1.6
55.05515	15.4
57.03440	3.4
57.07078	3.7
65.03955	1.7
67.05507	40.4
69.07079	14.5
69.16536	6.8
71.05003	1.3
71.08643	1.3
72.11926	0.8
79.05497	31.5
81.07062	41.5
82.07413	1.0
83.05013	1.4
83.08616	6.9
85.06555	2.3
91.05482	30.9
92.05818	0.9
93.07048	30.9
93.07621	1.6
95.04998	2.5
95.08611	32.4
97.06564	2.0
97.10200	3.2
103.05490	1.8
105.04550	1.8
105.07033	30.0
107.08601	20.5
107.09288	1.6
109.10168	12.6
111.08030	1.1
111.11706	1.0
115.05499	1.4
117.07021	12.5
119.08585	25.3
119.09453	1.5
119.74338	0.8
121.10154	13.6
123.08152	1.1
123.11712	4.7
128.06224	2.0
128.98053	0.8
129.06996	11.7
130.07819	1.0
131.08571	22.5
133.10141	20.1
135.11699	12.4
137.09608	1.4
137.13329	1.2
141.07007	2.7
141.09108	0.9
142.07855	1.9
143.08549	13.3
144.09386	1.2
145.10130	19.9
146.10460	1.3
147.11681	16.5
147.12695	1.1
149.13264	6.7
155.08554	4.8
157.10149	12.2
158.10976	1.2
159.11710	15.8
161.13239	11.5
163.14903	1.8
167.08621	2.0
169.10141	5.0
170.10815	1.0
171.11693	11.8
173.13280	10.9
175.14786	5.2
177.16437	1.6
181.10204	2.1
183.11687	6.6
185.13261	8.5
187.14813	7.1
189.12881	0.9
189.16470	2.3
191.18063	1.2
195.11768	2.3
197.13298	4.8
199.14839	6.6
201.16440	3.4
207.33830	0.8
209.13300	2.3
211.14882	3.5
213.14714	0.9
213.16487	3.2
215.18063	2.3
221.13362	1.2
223.14842	2.0
225.16469	1.9
227.18066	2.5
229.19624	2.5
231.21086	2.2
237.16362	1.1
239.18013	3.0
241.19568	8.7
243.21144	2.3
257.19025	5.1
259.20575	17.8
261.22241	3.8
275.20056	1.4
287.05701	1.7
297.22195	1.4
299.23853	1.3
311.23618	1.1
313.25406	1.4
315.23322	1.6
317.25034	0.9
325.25397	1.5
331.22534	1.4
333.24265	10.1
334.24722	1.4
335.25836	16.8
337.27707	1.5
339.23087	1.1
339.26886	1.8
353.28531	1.1
361.68854	1.0
367.30176	1.4
473.33160	1.2
489.36017	1.2
500.35339	0.9
519.41949	6.8
520.42255	1.4
537.43140	4.1
541.39484	1.9
561.23822	1.1
593.26678	1.9
593.45868	8.9
611.28278	8.1
611.46722	100.0
612.47113	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62488	4.7
53.03941	8.3
55.01869	6.1
55.05514	27.0
57.03424	7.9
57.07066	7.5
65.03953	4.7
67.05508	76.7
69.07072	30.8
69.71575	13.1
69.71976	8.6
79.05502	58.5
81.07061	91.8
83.04990	5.3
83.08618	21.0
91.05459	51.0
92.05789	4.5
93.07044	63.9
95.04979	6.3
95.08611	64.3
97.02914	4.7
97.06524	4.3
97.10196	6.4
98.22646	4.5
105.07033	53.9
106.07345	4.4
107.08580	33.2
109.06538	6.2
109.10139	33.3
111.08088	4.5
117.07027	20.5
119.08589	45.9
121.10125	24.3
123.08056	5.5
123.11716	9.2
129.07001	10.2
131.08569	33.5
133.10136	44.3
135.11710	13.4
137.06030	6.8
142.07811	5.9
143.08571	22.1
145.10147	31.9
147.11653	24.9
149.09579	6.3
149.13274	9.7
151.11240	5.8
155.08566	4.8
157.10138	15.4
159.11679	27.1
161.13185	22.1
167.05540	6.1
169.10081	9.1
171.11732	14.9
173.13275	21.0
175.14806	7.1
183.11697	13.9
185.13231	8.6
187.14827	9.0
197.13228	7.3
199.14964	6.6
201.16391	6.2
215.18021	6.7
224.14955	4.8
241.19620	9.2
243.21066	6.3
249.15990	4.9
259.20624	18.6
275.19867	5.3
333.23938	8.1
335.25699	24.4
355.06775	6.5
356.06870	5.0
519.41742	8.2
593.45679	8.1
611.46857	100.0
612.46466	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03950	3.6
54.03319	0.7
55.01875	1.4
55.05512	20.2
57.03441	6.9
57.07066	4.9
65.03935	2.5
67.05503	49.5
69.07069	16.1
69.16207	4.7
71.05002	2.1
71.08624	1.5
79.05491	33.9
81.07057	46.6
83.04993	2.6
83.08621	9.3
84.33527	0.7
85.06551	2.2
87.58748	0.7
91.05482	35.4
92.05817	0.8
93.07044	38.5
94.07419	1.3
95.04977	3.7
95.08608	38.0
97.06533	2.7
97.10191	4.6
98.95410	0.7
99.08098	0.9
103.05515	1.3
105.04560	1.6
105.07027	33.1
107.04975	1.2
107.08594	24.1
109.06544	1.1
109.10151	15.6
111.08096	1.0
113.09614	1.2
115.05445	1.4
117.07014	15.2
119.08577	28.6
121.10145	17.4
122.10610	0.8
123.08077	1.5
123.11716	6.1
125.09622	1.4
128.06227	1.8
129.07001	10.2
130.07849	1.2
131.08571	23.9
133.10121	22.2
134.10477	1.3
135.11703	12.8
137.09613	1.3
137.13321	1.1
141.06984	2.4
142.07788	2.3
143.08572	13.5
144.09326	0.9
145.10118	20.9
147.11673	19.9
149.13254	7.9
151.11234	1.0
154.26295	0.8
155.08531	6.3
156.09280	1.0
157.10130	13.1
159.11694	16.9
161.13251	11.9
163.14806	1.8
167.08586	2.4
169.10146	8.7
170.10989	1.0
171.11699	13.7
173.13264	11.8
175.11287	1.3
175.14813	5.6
177.16350	1.3
181.10159	2.7
183.11682	6.7
184.12053	1.0
185.11707	1.7
185.13213	9.3
185.14485	0.7
186.13864	0.8
187.14781	6.2
189.16389	2.3
191.17964	1.1
195.11732	2.7
197.13237	5.6
199.14828	7.8
201.16507	3.6
203.14186	0.8
203.17970	1.2
207.11714	1.2
209.13318	1.7
211.14848	4.6
211.16635	0.8
213.16452	4.6
215.17984	2.2
219.17502	1.8
223.14861	1.3
225.16451	2.3
227.18082	2.5
228.99756	0.8
229.19597	2.0
231.17444	1.4
231.21169	3.3
237.16388	1.0
239.17986	2.3
241.19617	9.8
243.21146	1.8
245.70425	0.8
247.20758	1.4
253.19574	1.2
257.18942	4.0
259.20575	18.0
261.22098	4.6
271.20422	1.2
273.22189	1.3
275.20181	1.0
277.21707	1.4
285.22110	1.6
297.22052	1.2
299.23621	1.4
311.23703	1.5
315.23212	2.2
317.24756	1.3
331.22800	1.5
333.24207	10.9
334.24768	0.9
335.25833	21.3
336.26135	2.1
339.26959	1.6
353.28445	2.0
449.33997	1.1
475.34338	1.2
489.35416	1.1
501.41028	1.6
503.37531	1.2
515.37128	1.7
519.42023	8.6
520.42297	1.2
529.38397	0.9
537.43347	3.7
538.43256	1.5
541.38843	1.6
593.45746	9.6
594.45569	1.6
611.46698	100.0
612.47083	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.6
53.03942	3.6
55.01871	1.7
55.05514	23.2
57.03460	6.5
57.07073	4.2
65.03941	3.8
67.05506	54.2
69.07067	21.2
69.35303	5.6
69.35709	2.8
71.04991	1.7
73.04754	4.8
79.05497	39.5
80.05830	1.6
81.06581	2.9
81.07062	56.7
83.04987	2.1
83.08619	10.6
85.06544	2.8
86.20759	1.3
91.05451	33.8
93.07052	45.0
94.07372	1.2
95.04980	3.8
95.08611	37.1
97.06523	1.8
97.10184	5.6
99.08084	1.3
103.05495	2.5
105.04507	1.5
105.07037	40.5
106.07423	1.7
107.08594	25.8
109.06532	3.2
109.10162	13.9
111.08092	2.4
115.05470	1.3
117.07027	16.1
119.08585	33.1
120.08936	1.6
121.10153	19.5
123.11710	6.0
124.52519	1.1
125.09600	2.4
128.06125	1.4
129.07004	12.0
130.07820	1.9
131.08571	26.3
131.09496	2.0
133.10144	24.8
133.11066	2.5
135.08099	2.2
135.11705	13.3
137.13283	1.5
141.07053	3.7
142.07813	3.7
143.08580	15.4
145.10124	24.9
147.11682	19.9
149.09615	2.1
149.13268	9.1
155.08554	7.5
156.09413	1.7
157.10143	13.8
159.11702	19.3
161.13243	12.8
163.11183	1.6
163.14842	4.8
167.05571	2.2
167.08592	2.3
169.10196	7.5
171.11719	14.7
173.13271	13.0
175.14815	6.5
175.83316	1.3
181.10159	4.1
183.11723	7.3
185.11850	1.7
185.13264	10.6
187.14880	6.4
189.16405	1.7
195.11740	3.0
197.13228	6.7
199.14847	6.9
201.16444	5.3
203.18047	2.1
209.13290	2.5
211.14848	4.3
213.14700	1.3
213.16400	6.0
215.17961	2.1
225.16396	3.1
227.18021	3.6
229.19553	2.1
231.21051	1.8
231.85190	1.3
239.09497	2.1
239.17989	2.9
241.19626	7.6
243.21040	1.9
253.19753	1.7
257.19006	4.1
259.20587	15.8
261.22256	5.7
275.20026	3.0
285.00818	2.0
297.22141	1.8
299.23932	2.0
315.23422	1.9
325.25302	1.9
333.24240	12.7
335.25778	18.5
337.57434	1.3
339.26950	2.0
353.28436	1.9
355.07083	2.3
356.07147	4.4
519.42163	5.8
537.43024	5.5
541.38635	2.3
593.45813	9.2
611.46722	100.0
612.46912	14.1
626.81268	1.5
630.01697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42494	2.8
52.63561	2.7
53.03951	7.7
55.01873	27.0
55.05517	15.0
56.40849	2.9
57.03443	6.6
61.02927	10.2
65.03932	4.3
66.71707	2.8
67.05502	23.8
69.03435	15.1
69.07063	21.2
70.43539	9.4
71.01358	3.8
71.04995	12.9
72.62543	2.6
73.02930	9.3
73.04762	4.6
76.15475	2.5
79.05499	34.9
81.03419	7.6
81.07061	83.5
83.01363	6.8
83.04979	36.4
83.08620	8.3
85.02917	20.4
85.06527	13.9
87.04491	5.2
91.05463	31.2
93.07043	90.7
95.01322	3.5
95.04972	37.9
95.08610	48.2
97.02914	7.7
97.06528	49.7
99.04464	21.5
99.08091	4.6
101.02367	16.6
103.05516	4.7
105.01831	3.4
105.07030	72.5
106.06618	6.3
106.07330	4.1
107.04980	6.7
107.07895	2.6
107.08591	49.4
108.63203	2.7
109.02891	6.3
109.06528	40.0
109.10169	14.6
111.00822	13.1
111.04484	5.2
111.08082	53.1
113.06046	3.8
115.03937	7.5
115.05476	5.4
117.07017	13.9
119.03406	3.2
119.04959	5.7
119.08583	40.7
119.76001	3.2
121.06511	51.6
121.10148	19.2
123.04438	11.0
123.08066	17.8
123.11706	24.8
124.05230	2.9
124.07594	4.6
125.05981	13.5
125.09736	3.7
127.03922	8.9
127.07571	13.4
129.01874	10.1
129.07051	3.3
131.08600	9.2
133.05008	4.9
133.06537	7.1
133.10129	43.5
134.06052	7.6
135.04439	9.3
135.08051	24.3
135.11748	6.5
137.05971	17.4
137.09615	5.2
139.07550	30.5
140.53612	2.6
141.05602	3.9
141.09128	3.1
142.07767	8.0
143.03397	5.6
143.07045	8.7
143.08586	9.5
145.04997	6.0
145.06506	16.0
145.10112	13.3
147.02844	4.4
147.08061	9.1
147.11679	95.8
148.12054	3.4
149.09599	7.0
149.13268	20.3
151.07507	5.7
151.11171	15.6
152.07031	3.0
153.01857	5.1
153.09122	5.4
154.23235	2.8
155.06027	6.4
157.08630	10.1
157.10161	20.1
159.06577	7.4
159.10262	6.3
159.11617	5.4
161.04463	76.5
161.05820	7.2
161.09700	3.2
161.13277	11.8
163.11209	6.8
165.12749	49.9
167.05635	3.2
167.07040	88.9
167.14319	3.1
169.12236	59.0
171.02934	15.1
171.08038	3.2
171.11705	16.1
173.06010	15.5
175.11176	72.7
181.04976	21.1
181.10115	4.4
189.03963	5.5
189.12766	29.5
193.12239	88.6
194.12532	3.8
199.11131	23.6
205.08580	6.4
207.13824	10.5
211.13298	100.0
215.15538	3.8
217.12239	75.1
217.15834	6.1
229.14398	8.7
231.04985	32.8
235.09752	5.4
235.13297	67.2
235.16959	10.7
239.09084	3.1
243.08734	8.4
243.14926	34.9
253.14362	62.9
253.17297	5.2
253.18092	5.6
257.10205	4.4
259.08148	5.3
271.14383	62.5
287.05508	84.1
288.05841	91.8
289.06116	8.1
289.15503	11.8
293.13870	4.4
311.14896	24.3
325.16461	4.3
329.15906	49.8
335.14835	10.5
353.15933	73.7
354.16309	7.2
357.13599	4.0
371.16931	25.5
372.17236	3.2
381.15421	5.8
385.12695	18.0
387.14066	3.7
399.16470	40.8
417.17258	6.1
423.16501	15.7
441.17526	13.2
450.11127	13.2
451.10388	6.3
451.20700	16.9
461.71722	3.4
541.19092	9.7
559.20135	9.5
594.16382	3.4
613.22809	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	613.2281
Annotation	C11830
Peak:m/z	Relative Intensity
53.03925	0.9
55.01848	1.0
55.05495	0.8
65.03941	3.2
67.05497	1.6
69.03398	1.5
69.07042	0.7
69.11971	2.6
69.12367	0.8
70.06564	0.4
77.03938	0.6
78.04704	3.2
79.05502	2.4
81.03393	0.9
81.07034	1.3
82.04160	0.6
83.04956	1.1
85.02909	2.2
85.06514	0.3
88.74641	0.4
91.05476	6.1
93.03389	1.2
93.07037	1.1
94.06541	0.4
95.04963	1.9
95.07334	0.5
95.08614	1.8
96.05759	0.4
96.08102	0.8
97.02893	5.8
97.06497	0.9
98.23345	0.7
99.04437	0.7
103.05473	3.0
105.03391	0.4
105.04534	0.5
105.07040	2.7
106.04140	1.5
107.04974	2.6
107.05630	0.5
107.08553	1.2
108.02087	0.7
109.02807	0.7
109.06483	0.9
109.10147	0.9
110.03664	1.8
110.04280	0.4
110.09659	1.2
111.04462	2.9
115.04665	0.5
115.05445	6.5
117.07019	8.4
118.04143	0.6
119.04935	4.6
119.08570	1.9
120.08119	0.5
121.06510	0.5
121.10131	0.9
122.03590	0.8
122.06018	0.6
123.04431	8.3
123.08087	0.6
123.11697	0.4
124.05235	3.2
125.05954	1.4
127.03921	0.5
127.05421	1.2
128.91351	0.4
129.07037	0.7
130.04149	0.6
131.04915	1.6
131.08568	0.9
132.05675	0.5
133.02881	0.7
133.06447	1.4
133.10103	1.1
134.03641	0.4
136.07562	0.8
137.05977	8.2
137.09558	0.5
138.03093	0.6
138.09137	2.2
142.02617	0.9
143.04912	0.7
143.08531	0.4
145.06485	13.7
145.10094	1.2
147.04420	4.2
147.08028	1.2
147.11781	0.4
148.05157	0.7
149.05957	0.4
151.03923	2.5
151.07526	0.8
152.04701	2.4
153.05467	2.4
155.06009	5.9
157.10117	0.6
159.04362	0.5
159.11719	0.7
160.05196	0.5
161.05960	2.3
161.09616	0.7
163.07500	0.8
165.05498	1.0
166.08643	3.0
167.07037	100.0
168.07396	3.5
171.06519	0.9
171.11703	0.5
172.05219	0.6
173.05978	22.6
173.13235	0.6
174.06430	0.8
175.07576	1.5
179.07045	1.4
181.04956	33.2
182.05356	0.7
185.13242	0.4
187.14827	1.6
189.05365	0.6
191.07054	3.0
193.08630	1.3
201.05516	0.6
201.16304	0.4
203.07018	1.0
203.14349	1.0
205.08583	5.9
207.06522	0.5
207.10139	0.6
209.07965	0.5
217.08521	0.8
221.08124	0.9
231.06586	1.0
233.08089	6.5
234.59048	0.4
235.09656	5.3
239.11855	0.7
249.10194	0.6
251.07068	0.4
251.11673	0.6
253.13350	0.6
263.11810	0.7
264.12595	0.6
265.08688	0.4
265.13455	0.4
275.20401	0.4
277.09369	0.3
281.12531	0.6
287.05527	2.6
291.77325	0.4
292.07397	0.5
297.11423	0.5
309.12369	4.4
319.10950	0.5
321.12219	0.9
325.11057	0.8
326.11740	0.4
327.13419	2.9
337.11786	1.0
338.12772	0.5
339.13058	1.1
353.10260	0.4
355.11703	0.6
357.13306	3.6
358.13928	0.5
385.12799	19.2
386.13199	1.7
387.14389	6.1
388.15051	0.4
411.14343	0.4
417.15433	13.5
418.15979	1.1
448.18878	1.1
455.31851	0.7
460.18716	2.2
492.21481	1.5
515.17065	0.6
583.22058	2.7
613.22968	38.1
614.22986	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	613.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.5
67.05513	3.2
69.03423	1.9
69.07063	3.6
71.08546	1.6
73.04751	1.4
79.05493	4.3
80.94856	1.3
81.07069	4.8
83.08652	1.2
85.06549	1.5
91.05503	2.9
93.07056	4.7
94.06576	2.9
95.04935	1.7
95.08614	4.2
97.06536	1.3
105.07041	3.9
107.08611	6.1
108.08080	1.2
109.06519	2.5
109.10177	3.7
118.06555	2.1
119.08586	4.5
121.06538	1.1
121.10140	6.1
123.08047	1.9
123.11701	2.0
125.09673	1.1
129.07011	1.8
131.08548	2.2
133.10120	2.9
135.08116	1.1
135.11720	2.0
137.09592	1.3
138.09184	1.4
143.08607	1.6
145.10130	3.5
146.08382	1.2
147.08060	1.5
147.11729	2.6
149.09630	1.5
156.96246	1.2
157.10106	2.7
159.08063	1.1
159.11708	2.4
161.13239	1.2
163.27382	1.1
165.09068	1.1
167.10693	4.9
169.07712	1.4
169.10162	1.7
171.11772	2.1
173.13322	1.9
181.10132	1.1
181.12276	1.3
183.11627	1.5
185.13210	1.6
187.14828	1.2
193.10336	1.3
195.11949	1.2
197.10779	2.6
197.13271	1.4
198.97412	1.1
209.10825	1.5
214.44933	1.0
221.10771	2.5
221.15413	2.7
223.12312	2.9
225.10197	2.6
233.10774	2.6
233.15376	3.2
234.11522	1.8
235.12347	2.6
237.10202	2.8
239.11913	2.7
241.09825	1.1
251.11760	2.3
265.09766	1.4
284.11646	1.7
297.12564	2.4
300.14825	1.5
302.16370	1.3
310.13483	1.5
311.14081	2.1
312.14825	2.0
340.14536	1.3
342.12238	1.5
356.13965	1.4
372.13309	1.3
377.17746	2.0
381.20703	1.3
405.16794	1.8
414.14487	2.8
415.15210	1.2
417.16864	1.5
419.18646	1.3
432.19653	1.3
457.16443	1.4
463.21268	1.8
468.25052	2.8
477.23398	1.3
479.20923	3.2
481.09387	1.2
492.21481	1.6
494.19278	1.1
505.22202	6.2
507.20172	10.4
508.20621	1.2
509.25714	1.3
521.21576	2.0
525.25006	1.4
528.34619	1.6
531.20398	5.8
532.20844	1.6
537.24536	1.1
541.28735	1.2
552.23694	7.5
553.24286	3.8
563.14783	1.8
563.22937	26.7
564.23230	1.7
581.23987	100.0
582.24335	13.0
585.27173	2.7
595.25299	2.7
613.26477	3.9
613.40961	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	613.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57084	1.1
55.05506	2.6
56.96566	40.6
56.96852	2.0
66.87716	1.2
70.34922	3.2
71.33518	1.1
71.95261	4.4
79.05507	1.4
81.07063	2.9
83.08607	1.5
84.96041	4.7
91.05446	2.1
93.07067	2.2
95.05033	1.9
95.08600	2.4
97.06498	1.2
98.91946	3.5
98.97585	74.0
105.06984	2.7
107.08583	2.5
109.10147	1.7
110.97585	4.8
112.99130	24.9
116.98623	40.5
116.99435	2.4
119.08570	3.2
121.06516	1.2
121.10139	3.8
123.08020	1.3
124.99135	2.3
128.98601	7.4
131.00172	44.1
131.08557	1.5
133.10147	2.2
134.99678	14.7
135.08101	1.6
140.00221	2.5
140.98627	1.7
143.00156	8.8
143.08490	1.5
145.10118	2.8
146.99626	5.8
147.11771	1.4
147.12923	1.3
149.01221	34.7
149.02393	2.1
153.00728	1.3
154.01761	2.8
155.00139	1.5
158.01236	1.4
158.99655	29.8
159.11801	1.5
161.01224	10.1
161.09546	1.3
167.02269	6.5
167.10710	2.0
170.99686	4.8
171.11722	1.6
172.02870	1.7
173.01213	7.0
175.02818	3.2
177.00711	44.6
179.02199	1.8
185.01237	4.7
189.00693	3.5
191.02284	8.7
193.19383	1.2
195.01759	6.2
199.02802	11.1
200.02251	2.8
201.00742	1.8
203.02249	5.3
209.01268	2.9
215.02293	3.7
217.03847	7.0
219.01799	9.1
227.02318	3.4
233.03371	4.1
237.02814	7.1
255.03824	2.3
275.04428	15.8
293.05417	60.0
294.05612	2.4
311.06439	12.0
316.07028	6.6
317.17871	100.0
318.18295	6.3
334.07870	2.1
335.18924	41.0
358.07059	1.4
358.20557	7.5
359.19366	1.3
377.19809	7.4
385.08768	1.2
391.21542	3.5
403.21722	1.8
405.17471	1.4
497.24295	3.3
525.63824	1.4
553.26862	45.3
554.27252	5.8
613.31934	1.6
613.42328	2.6
614.33282	1.5
632.35999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01875	0.9
55.05498	1.0
65.03943	5.2
67.05514	2.1
69.03433	14.2
69.07067	1.5
69.26783	1.4
69.27203	1.2
69.31039	0.4
75.67236	0.3
79.04195	0.4
79.05501	2.6
81.03419	1.3
81.07059	3.5
82.04214	0.6
83.04986	0.9
83.08623	0.7
85.02914	1.2
91.05460	4.1
93.03409	1.7
93.07053	4.0
95.01320	0.7
95.04973	1.1
95.08616	7.1
97.02898	100.0
98.03239	2.0
103.05495	0.7
105.07033	6.4
106.07373	0.4
107.04958	0.7
107.08595	4.7
109.06561	0.5
109.10170	2.6
110.03674	3.0
111.04460	4.8
115.03943	0.5
115.05452	1.3
116.75910	0.4
117.07020	1.7
119.04916	0.4
119.08585	9.0
121.02869	2.7
121.06516	1.2
121.10144	2.1
123.04437	0.7
123.08089	0.5
123.11720	0.9
125.05984	3.3
127.03905	1.2
128.06215	0.6
129.07034	1.6
131.04919	0.6
131.08585	6.3
133.02824	0.6
133.06506	1.5
133.10132	4.2
135.04402	0.4
135.08080	1.4
135.11687	1.6
137.02350	0.5
137.05994	1.8
137.09692	0.8
138.03123	0.6
141.06984	0.7
142.04384	0.4
142.07776	0.9
143.08572	3.3
144.09351	0.6
145.06479	1.2
145.10124	8.8
147.04399	0.5
147.08005	2.2
147.11708	1.6
149.05949	0.5
149.09604	0.6
149.13275	1.1
151.03932	0.5
151.07558	0.9
153.05466	13.8
154.05875	0.5
155.08577	1.4
156.09319	0.8
157.10138	4.2
159.08081	1.2
159.11707	4.5
161.05995	1.8
161.09627	1.5
161.13287	1.6
163.03854	0.4
163.07523	0.8
163.14806	0.8
167.07068	4.8
167.08420	0.5
168.09373	0.4
169.10188	1.3
170.10910	0.8
171.08063	0.4
171.11703	2.4
173.06035	0.5
173.09634	0.9
173.13248	3.5
175.07588	1.0
175.11227	1.2
175.14827	1.4
177.05487	1.0
177.12782	0.6
177.16423	0.8
180.07855	0.4
181.04979	6.6
181.06462	0.8
182.10895	0.6
183.08099	0.4
183.11694	2.2
185.09515	0.5
185.13268	3.8
187.07594	0.4
187.14828	15.4
188.15259	0.8
189.09248	0.4
189.12810	1.7
189.16280	2.0
191.07077	1.3
191.14360	1.0
193.05016	0.6
195.11713	0.8
197.09688	0.6
197.13307	1.3
199.14845	2.6
200.15202	0.4
201.12685	0.7
201.16400	4.7
203.10843	0.5
203.14316	10.2
205.06644	0.4
205.15894	2.0
208.07253	0.6
211.14787	0.9
213.12805	0.8
213.16408	2.3
215.14401	1.2
215.17935	0.7
217.12285	0.5
217.15898	1.4
219.13773	0.5
219.17497	0.5
223.07417	0.4
223.14810	0.4
225.07590	1.6
225.16483	0.8
227.14333	0.8
227.17972	0.9
229.12289	0.8
229.15956	1.4
229.19498	0.5
231.13817	1.3
231.17511	0.6
233.15430	0.7
235.07578	0.6
236.08299	0.6
237.09084	0.8
237.16425	0.9
239.06985	0.6
239.18018	0.9
241.19633	0.6
243.13788	0.8
245.15450	1.0
247.09622	1.5
251.10728	0.6
251.17986	0.7
253.08578	1.6
253.19551	0.5
254.09312	0.5
264.07623	0.7
265.08728	0.8
265.19574	0.4
267.21118	0.8
279.10101	0.5
282.08713	0.6
283.16867	0.6
297.11209	1.1
307.09586	1.1
319.09598	0.6
325.10712	7.3
326.11197	1.1
327.12146	0.8
339.12213	3.3
351.12347	1.1
355.11530	0.4
357.13321	7.5
358.13742	0.7
369.13239	0.8
371.25964	0.4
389.28232	0.8
391.30093	1.1
399.26422	0.4
405.27881	0.5
407.29453	1.1
417.15829	0.5
417.27924	2.0
435.28857	4.5
437.30603	0.6
445.27560	0.8
451.28497	0.7
453.30048	3.7
455.31415	1.5
463.28415	1.7
469.29648	2.8
481.29553	1.4
499.30429	1.6
549.31683	0.6
595.33179	2.0
598.38684	0.4
613.22552	0.7
613.32916	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	1.5
55.05265	1.6
55.05515	16.6
57.07079	1.2
60.10041	0.9
60.11230	0.8
65.03951	2.9
67.05505	10.3
69.03436	3.9
69.07069	5.7
70.74487	1.8
71.05000	1.2
79.05500	8.3
81.03432	4.0
81.07063	16.7
83.04984	50.5
83.08623	2.6
84.05314	1.0
85.02908	2.3
85.06532	1.4
91.05459	12.6
93.03416	1.4
93.07050	17.6
95.04982	9.6
95.08610	32.9
97.02896	11.7
97.06542	4.2
97.10186	1.7
99.04486	1.3
99.14211	0.9
101.06058	1.4
103.05489	1.9
105.07032	26.6
107.04958	2.5
107.08601	19.8
109.02862	1.5
109.06523	4.3
109.10155	13.1
111.04446	100.0
111.08062	1.9
112.04768	1.7
115.05464	2.0
117.07021	8.3
119.04919	0.8
119.08585	41.3
119.09448	2.0
120.08961	1.1
121.06499	5.1
121.10149	13.5
122.57423	0.9
123.04446	2.7
123.08070	5.9
123.11729	3.2
125.09602	1.0
127.03928	1.9
128.06224	1.2
129.05493	2.6
129.07037	3.2
129.26563	0.9
131.04977	0.9
131.08571	20.2
131.09486	1.4
132.08980	1.0
133.06512	3.1
133.10139	17.8
135.08064	4.3
135.11699	6.6
137.05995	2.8
137.09607	2.6
137.13225	1.2
139.07623	1.2
139.41927	1.0
142.07741	2.5
143.04916	1.2
143.08580	13.0
144.09344	1.4
145.06454	1.5
145.10130	26.9
146.10498	1.2
147.08060	5.6
147.11694	11.7
147.70789	1.0
149.06052	0.9
149.09659	3.8
149.13290	4.1
151.03922	1.4
151.11200	1.4
153.05457	1.1
153.09267	0.9
155.05966	1.0
155.08569	2.9
156.09340	3.0
157.10127	11.3
159.08069	2.0
159.11699	18.5
161.05992	3.3
161.09608	5.6
161.13255	9.7
163.07565	2.3
163.11174	2.7
163.14796	4.8
165.09120	1.0
167.05617	1.3
167.07045	17.2
167.08386	2.0
168.09465	1.3
169.10129	5.3
170.10939	2.2
171.11679	9.5
172.12419	1.3
173.06059	2.7
173.09592	2.1
173.13271	12.1
175.11197	3.5
175.14818	10.4
177.05467	1.3
177.12762	3.1
177.16397	2.5
179.06985	1.0
179.08568	1.2
179.14287	1.9
181.04959	7.9
182.10912	1.6
183.11703	5.0
185.09673	1.9
185.13255	8.6
187.11224	2.5
187.14830	36.1
188.15195	1.4
189.12688	5.4
189.16348	7.3
191.07005	1.7
191.14334	4.2
193.08627	2.9
195.11685	2.3
197.13263	3.8
199.14804	9.1
201.12794	2.3
201.16408	12.0
203.14325	24.5
203.16087	1.8
203.17946	3.3
205.08554	1.3
205.15901	8.4
207.06685	1.0
209.07983	1.5
209.13235	2.1
211.13046	1.4
211.14731	5.1
213.12987	0.9
213.16385	9.2
215.14326	5.6
215.18013	2.8
217.15807	5.6
219.13763	1.0
219.17378	1.2
221.13303	1.6
221.15433	1.4
223.14886	1.2
225.16371	2.9
227.14369	2.2
227.17976	3.7
229.15948	4.9
229.19521	1.3
231.17426	3.2
233.15382	2.4
237.16324	1.7
239.14330	1.1
239.18036	2.2
241.19539	2.2
243.17513	2.1
245.15332	2.2
245.18987	1.9
247.17050	2.1
251.18005	1.8
253.19452	1.0
265.19595	1.1
267.20877	1.1
281.18979	1.0
281.22482	1.1
319.24359	1.1
348.15164	1.2
353.25134	1.1
372.22583	1.1
385.12665	2.9
385.28928	1.4
387.14420	1.8
391.30142	2.7
393.31494	1.1
403.30008	6.4
405.31573	2.6
417.15591	2.1
419.29401	1.6
421.31104	6.8
422.31241	1.0
423.32526	2.4
431.29568	2.1
437.30673	4.0
439.31714	1.9
449.30511	5.5
455.31573	54.1
456.31723	4.0
467.31592	14.4
468.31735	1.4
485.32727	6.6
496.33954	1.8
531.33673	1.1
547.33984	1.0
565.35083	5.0
595.37280	7.4
613.21429	2.8
613.29706	1.5
613.37286	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	613.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01863	1.5
55.05265	1.6
55.05515	16.6
57.07079	1.2
60.10041	0.9
60.11230	0.8
65.03951	2.9
67.05505	10.3
69.03436	3.9
69.07069	5.7
70.74487	1.8
71.05000	1.2
79.05500	8.3
81.03432	4.0
81.07063	16.7
83.04984	50.5
83.08623	2.6
84.05314	1.0
85.02908	2.3
85.06532	1.4
91.05459	12.6
93.03416	1.4
93.07050	17.6
95.04982	9.6
95.08610	32.9
97.02896	11.7
97.06542	4.2
97.10186	1.7
99.04486	1.3
99.14211	0.9
101.06058	1.4
103.05489	1.9
105.07032	26.6
107.04958	2.5
107.08601	19.8
109.02862	1.5
109.06523	4.3
109.10155	13.1
111.04446	100.0
111.08062	1.9
112.04768	1.7
115.05464	2.0
117.07021	8.3
119.04919	0.8
119.08585	41.3
119.09448	2.0
120.08961	1.1
121.06499	5.1
121.10149	13.5
122.57423	0.9
123.04446	2.7
123.08070	5.9
123.11729	3.2
125.09602	1.0
127.03928	1.9
128.06224	1.2
129.05493	2.6
129.07037	3.2
129.26563	0.9
131.04977	0.9
131.08571	20.2
131.09486	1.4
132.08980	1.0
133.06512	3.1
133.10139	17.8
135.08064	4.3
135.11699	6.6
137.05995	2.8
137.09607	2.6
137.13225	1.2
139.07623	1.2
139.41927	1.0
142.07741	2.5
143.04916	1.2
143.08580	13.0
144.09344	1.4
145.06454	1.5
145.10130	26.9
146.10498	1.2
147.08060	5.6
147.11694	11.7
147.70789	1.0
149.06052	0.9
149.09659	3.8
149.13290	4.1
151.03922	1.4
151.11200	1.4
153.05457	1.1
153.09267	0.9
155.05966	1.0
155.08569	2.9
156.09340	3.0
157.10127	11.3
159.08069	2.0
159.11699	18.5
161.05992	3.3
161.09608	5.6
161.13255	9.7
163.07565	2.3
163.11174	2.7
163.14796	4.8
165.09120	1.0
167.05617	1.3
167.07045	17.2
167.08386	2.0
168.09465	1.3
169.10129	5.3
170.10939	2.2
171.11679	9.5
172.12419	1.3
173.06059	2.7
173.09592	2.1
173.13271	12.1
175.11197	3.5
175.14818	10.4
177.05467	1.3
177.12762	3.1
177.16397	2.5
179.06985	1.0
179.08568	1.2
179.14287	1.9
181.04959	7.9
182.10912	1.6
183.11703	5.0
185.09673	1.9
185.13255	8.6
187.11224	2.5
187.14830	36.1
188.15195	1.4
189.12688	5.4
189.16348	7.3
191.07005	1.7
191.14334	4.2
193.08627	2.9
195.11685	2.3
197.13263	3.8
199.14804	9.1
201.12794	2.3
201.16408	12.0
203.14325	24.5
203.16087	1.8
203.17946	3.3
205.08554	1.3
205.15901	8.4
207.06685	1.0
209.07983	1.5
209.13235	2.1
211.13046	1.4
211.14731	5.1
213.12987	0.9
213.16385	9.2
215.14326	5.6
215.18013	2.8
217.15807	5.6
219.13763	1.0
219.17378	1.2
221.13303	1.6
221.15433	1.4
223.14886	1.2
225.16371	2.9
227.14369	2.2
227.17976	3.7
229.15948	4.9
229.19521	1.3
231.17426	3.2
233.15382	2.4
237.16324	1.7
239.14330	1.1
239.18036	2.2
241.19539	2.2
243.17513	2.1
245.15332	2.2
245.18987	1.9
247.17050	2.1
251.18005	1.8
253.19452	1.0
265.19595	1.1
267.20877	1.1
281.18979	1.0
281.22482	1.1
319.24359	1.1
348.15164	1.2
353.25134	1.1
372.22583	1.1
385.12665	2.9
385.28928	1.4
387.14420	1.8
391.30142	2.7
393.31494	1.1
403.30008	6.4
405.31573	2.6
417.15591	2.1
419.29401	1.6
421.31104	6.8
422.31241	1.0
423.32526	2.4
431.29568	2.1
437.30673	4.0
439.31714	1.9
449.30511	5.5
455.31573	54.1
456.31723	4.0
467.31592	14.4
468.31735	1.4
485.32727	6.6
496.33954	1.8
531.33673	1.1
547.33984	1.0
565.35083	5.0
595.37280	7.4
613.21429	2.8
613.29706	1.5
613.37286	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03941	4.5
54.63122	0.9
55.01863	3.2
55.05513	31.3
57.03442	10.2
57.07082	6.5
57.72394	0.9
65.03951	4.1
67.05508	93.8
67.42810	0.9
68.05838	1.6
69.03457	0.9
69.07071	28.5
69.30336	4.5
69.44037	1.0
71.04995	2.3
71.08631	2.0
77.03916	1.3
79.05496	52.2
80.05837	1.0
80.69267	0.9
81.07060	96.2
82.07419	1.2
83.04977	2.4
83.08631	15.1
85.06540	3.7
91.05485	43.6
93.07050	64.3
94.07361	1.0
95.04968	4.6
95.08610	79.1
96.08935	1.9
97.06534	4.8
97.10175	8.8
98.23431	1.0
99.08140	1.6
104.67797	1.1
105.04561	2.0
105.07036	47.3
107.08600	42.2
109.06510	1.9
109.10162	39.3
111.08119	2.6
111.11724	1.9
113.09715	1.0
115.05468	1.3
117.07033	19.5
117.07859	1.7
119.08588	40.1
121.10143	32.3
123.08124	1.7
123.11710	14.1
125.09646	1.5
129.07030	8.0
130.07813	1.0
131.08574	35.7
133.10139	30.2
134.10524	1.5
135.08134	1.8
135.11694	22.7
135.12663	1.3
137.13263	5.6
139.11151	1.3
141.07037	1.8
142.07805	1.1
143.08569	11.0
144.09239	0.9
145.10129	28.9
145.11246	1.9
147.11685	25.5
149.09654	2.4
149.13260	14.2
150.13602	1.1
151.14894	1.8
155.08578	2.8
156.09412	0.9
157.10167	9.7
159.11693	23.8
160.12132	1.2
161.13269	20.1
163.11154	1.2
163.14847	6.6
165.12758	1.5
169.10193	2.5
171.11691	11.1
173.13289	20.0
174.13626	1.0
175.14859	9.2
177.16396	2.7
180.19522	0.9
181.10179	1.8
183.11716	2.8
185.13283	10.7
187.14825	11.2
189.16396	5.0
191.17984	1.3
195.11761	1.4
197.13327	3.1
199.14853	6.5
201.16396	5.3
211.14890	2.8
213.14653	1.6
213.16493	3.6
215.17972	3.1
217.19734	1.6
223.14973	1.2
225.16377	1.7
227.18091	1.7
229.19551	2.3
231.21118	1.2
233.19141	1.3
241.19691	5.8
243.21123	3.2
245.19170	1.2
245.22606	1.6
255.19334	1.1
259.20593	15.3
261.22141	16.4
263.23654	2.3
267.20007	1.0
271.20547	1.1
273.22089	1.9
275.23782	1.7
277.21826	1.3
279.23239	1.0
281.21631	1.0
285.22043	2.3
287.23730	1.8
299.23776	2.4
301.25452	1.8
317.24704	2.0
323.26010	1.7
325.25201	1.5
327.59644	1.0
329.24762	1.4
329.28467	1.2
333.24207	7.9
335.25797	23.4
337.27396	11.0
341.28525	1.7
451.35797	1.2
469.37665	1.1
489.36002	1.7
503.37070	1.9
517.38989	1.9
521.43854	7.3
529.39044	1.8
531.40839	1.4
539.44525	3.6
543.40216	1.8
557.45642	1.2
595.47241	15.1
596.47668	2.3
613.48267	100.0
614.48517	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	3.0
54.19110	0.8
55.01876	1.9
55.05510	16.8
57.03436	6.4
57.07074	3.4
65.03935	2.5
67.05505	56.0
69.07067	18.3
69.07417	1.4
69.30936	4.7
70.07417	0.7
71.04987	1.8
71.08633	1.2
75.27514	0.7
78.48109	0.7
79.05491	29.0
81.07056	60.1
83.04996	1.5
83.08616	11.5
85.06563	2.6
89.06036	1.6
91.05479	26.9
93.07042	37.7
94.07365	1.2
95.04977	2.6
95.08611	44.5
97.06538	2.7
97.10169	4.0
98.23318	1.2
99.08087	1.8
99.87688	0.8
105.04507	1.5
105.07031	23.0
107.08595	23.6
107.09280	1.4
108.08914	0.8
109.06557	1.3
109.10151	23.3
111.08102	1.8
111.11674	1.3
115.05482	1.1
117.07008	10.5
119.08579	25.9
121.10152	18.9
123.08112	1.2
123.11692	9.5
123.12437	1.0
125.09655	1.4
128.06227	1.5
129.06998	5.6
130.07828	1.2
131.08560	17.1
131.09471	1.3
133.08636	1.5
133.10130	17.7
135.11684	16.2
137.13286	3.7
143.08549	5.5
145.10127	18.6
147.11679	16.3
149.09663	0.9
149.13258	7.9
151.11179	1.1
155.08569	2.2
157.10138	6.6
159.11679	13.4
161.13257	10.5
163.11276	0.9
163.14790	4.8
169.10182	2.8
171.11705	6.0
173.13258	11.9
175.14795	5.4
177.16432	2.3
179.14368	1.2
181.10219	0.8
183.11687	2.6
185.13229	4.7
187.14847	7.2
189.16417	3.2
191.18033	1.3
195.11795	0.9
197.13327	2.3
199.14862	3.4
201.16420	3.3
203.17928	2.1
211.14885	1.7
213.16437	1.8
215.17957	3.1
217.19604	1.3
219.21133	0.9
227.17998	1.5
229.19633	1.5
231.21176	1.0
241.19760	4.3
243.21060	2.0
245.19109	0.8
245.22682	1.0
257.18918	0.9
259.20593	9.6
261.22159	13.1
263.23749	2.1
273.21982	0.8
277.21802	1.6
278.97922	0.7
285.22031	1.1
287.23798	1.2
289.21701	0.8
299.23685	1.9
313.25110	1.0
315.23361	1.8
315.26770	1.4
317.24918	1.9
323.25916	0.7
333.24133	6.3
335.25821	18.9
337.27356	11.6
341.28156	1.0
355.30228	1.3
396.08759	0.8
439.55484	1.0
489.35840	1.4
503.43073	1.1
521.43347	4.5
529.39288	1.7
539.44458	3.3
543.40411	1.8
595.47205	10.5
596.47290	1.8
613.48248	100.0
614.48676	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02401	1.6
53.03950	3.7
55.01873	2.3
55.05516	25.3
55.23931	1.6
56.31863	1.6
56.92965	1.6
57.03442	7.0
57.07086	7.7
59.51445	1.4
65.03939	3.7
67.05508	71.2
68.05832	3.0
69.07072	26.0
70.06608	2.3
71.08624	3.7
73.04770	6.8
74.59161	1.4
78.04623	1.8
79.05496	39.5
80.05846	2.6
81.06581	3.4
81.07062	71.3
82.07422	1.9
83.05008	2.0
83.08626	15.9
85.06553	2.7
89.06052	4.0
91.05421	38.7
92.05747	2.3
93.07044	51.9
94.07357	3.3
95.04981	5.1
95.08616	53.0
95.98119	1.7
97.06571	4.5
97.10190	8.1
99.08103	2.7
103.05549	1.9
105.04562	2.3
105.07041	43.3
106.07357	2.6
107.08607	28.9
109.06496	1.8
109.10159	23.2
110.10520	2.3
111.08114	3.9
115.05489	1.9
117.07015	15.1
119.08587	38.3
120.08969	1.7
121.10152	17.1
122.10449	1.9
123.11716	8.3
125.09654	2.7
128.06133	1.8
129.07027	9.2
131.08572	25.7
132.08961	2.2
133.10135	29.1
134.10493	2.0
135.11700	12.5
137.06039	2.1
137.13339	3.0
141.07022	1.8
142.07791	2.8
143.08601	8.2
145.10144	27.1
145.11264	2.2
146.10538	1.8
147.11693	21.6
149.13237	8.5
151.11183	1.9
155.08638	2.4
157.10165	9.3
159.11681	16.8
161.13260	18.0
163.14879	2.7
167.05627	3.9
167.08612	1.5
169.10207	5.0
171.11679	12.2
173.13261	14.1
175.11250	2.2
175.14842	8.8
177.16486	2.1
183.11708	3.8
185.13312	8.9
186.13834	2.1
187.14816	8.3
189.16412	3.2
197.13249	3.3
199.14915	5.7
201.16426	4.9
203.18018	2.2
209.13277	2.6
211.14894	3.2
215.18015	3.0
225.16438	2.4
227.18077	3.0
229.19580	1.9
229.34023	2.1
229.70129	1.7
231.21240	3.1
239.09584	2.2
239.18166	2.6
240.09570	1.7
241.19577	12.4
243.21115	3.6
244.21346	1.7
257.19092	3.5
259.20578	24.1
260.21027	2.6
261.22235	4.9
277.18335	2.2
277.21637	2.4
278.22092	1.6
285.01071	2.5
287.00800	2.7
289.97626	1.9
297.22089	1.9
300.06207	1.8
301.05853	2.1
315.53098	1.5
333.24255	14.2
335.25668	8.1
336.26141	2.3
337.27423	25.1
355.07047	1.5
356.07388	4.9
357.06995	4.8
358.07022	5.2
375.08115	1.6
420.99069	2.9
482.40320	1.7
521.43451	8.1
539.44733	2.9
579.78809	1.6
595.47449	10.5
596.47247	2.6
613.48236	100.0
614.48584	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	613.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36986	2.8
52.22287	3.2
53.03941	6.0
55.01855	3.8
55.05519	28.8
55.66280	3.4
57.03433	5.9
57.07081	9.5
58.27457	3.1
62.82239	3.4
65.03939	4.4
67.05506	69.6
68.05858	3.8
69.07067	31.4
71.08636	5.3
79.05496	46.6
81.07054	71.7
81.68681	3.9
83.08617	12.6
89.06021	10.2
91.05470	44.2
93.07050	51.7
95.08613	61.4
97.06502	4.1
97.10185	6.1
105.07033	42.6
107.08595	28.4
109.10150	34.0
111.08055	5.3
113.09629	3.8
117.07014	15.9
119.08591	34.6
121.10134	19.4
123.11710	7.4
129.06984	9.5
131.08595	27.2
133.08585	5.6
133.10146	24.0
135.11717	18.7
137.06029	5.6
137.13254	4.8
143.08582	11.6
145.10139	29.6
147.11688	24.9
149.13260	10.5
155.08524	4.4
157.10158	11.5
159.11707	19.6
161.13269	15.0
163.14821	5.7
169.10109	5.3
171.11682	11.7
173.13297	11.3
175.14854	10.5
183.11763	7.9
185.13289	6.3
187.14780	7.7
201.16379	6.6
213.16466	6.0
217.19617	5.9
227.18042	3.7
241.19547	9.9
259.20618	14.9
265.21744	3.8
277.18216	4.4
277.21579	5.6
315.23309	3.5
324.88962	3.6
333.24341	7.4
337.27374	24.3
341.28720	3.4
359.89508	3.3
404.39487	3.9
437.28061	3.6
521.43518	9.3
595.47131	6.7
613.16211	3.4
613.48505	100.0
614.48694	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	614.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82440	1.3
53.03946	3.4
53.30100	1.2
55.01871	2.1
55.05512	2.8
60.04522	1.7
65.03942	5.5
67.05502	6.5
69.03424	3.9
69.07081	2.4
69.08803	5.5
69.09227	6.8
70.06586	1.6
71.04987	5.1
73.02946	1.5
75.78139	1.5
78.04707	1.6
79.05482	11.2
81.03429	5.3
81.07052	13.8
82.04214	2.1
83.04999	3.6
84.80901	1.2
85.02901	10.0
85.06570	3.3
86.09698	1.6
91.05492	8.2
93.07030	7.0
95.04961	5.6
95.08609	5.7
97.02901	2.3
97.06551	5.1
97.10160	1.5
99.04474	1.9
99.08099	3.4
101.46157	1.5
105.07021	10.1
107.04957	33.2
107.08603	5.9
109.02899	2.7
109.06540	3.7
109.10191	4.7
110.03706	2.0
111.04442	1.5
111.08058	1.7
115.05440	2.9
117.03383	2.5
117.07034	5.9
119.04958	2.1
119.08608	5.2
121.06522	3.3
121.10172	5.3
123.04412	2.7
123.08044	1.9
123.11681	2.2
124.05224	6.0
125.06030	4.2
125.09651	3.8
127.03914	3.0
127.07571	2.1
127.11221	3.6
128.06203	1.9
129.07027	4.1
131.04990	2.2
131.08578	4.0
133.06509	2.3
133.10130	12.0
135.04411	1.9
136.07544	2.4
137.06012	3.5
139.07480	1.8
142.02628	1.7
143.10677	4.2
144.05759	3.0
145.02876	3.0
145.05048	2.0
145.06506	8.1
145.10164	4.6
147.04472	1.6
147.11682	5.2
149.06020	3.5
151.11195	5.3
152.04684	2.5
153.01830	4.5
153.05577	1.5
154.02283	1.9
155.10712	2.2
157.06512	2.5
159.08043	1.9
159.11685	2.4
161.05974	6.6
165.05522	1.8
165.12935	1.3
167.07042	100.0
168.07364	2.4
171.06602	3.9
172.05171	4.0
173.06032	5.7
175.07587	3.3
175.11147	1.6
177.05469	8.7
177.09074	1.5
181.04950	76.5
182.05365	2.9
187.07587	6.1
188.03810	1.4
189.05499	3.2
190.06183	2.3
191.06953	2.8
191.10713	1.9
195.06610	2.5
198.65149	1.5
201.05408	7.5
201.16440	1.8
203.07083	4.1
205.06866	1.4
205.08607	7.9
213.05591	2.1
217.08658	2.4
217.12198	2.1
218.05713	3.4
219.06500	2.5
219.10196	4.8
219.17464	5.8
221.08115	8.7
233.08089	33.7
234.08681	1.9
235.09663	29.5
235.13193	1.6
237.18504	9.9
244.09764	3.5
245.08168	4.8
250.33484	1.5
251.09186	14.0
253.14288	1.5
263.09201	15.0
270.05219	1.4
281.10202	4.8
287.05515	29.7
288.05862	45.0
289.06067	32.8
290.06314	24.7
331.07755	2.3
337.10971	1.5
339.12140	1.8
355.12000	1.5
367.11887	1.8
384.12152	1.7
387.14182	7.6
392.26114	1.7
399.14389	10.4
405.15381	2.6
417.15411	78.4
418.15790	5.3
435.16446	7.5
469.30542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01854	1.2
55.05521	2.2
65.03946	4.2
67.05510	2.2
69.03434	2.1
70.06595	9.2
71.04997	1.1
71.31548	1.2
72.08167	2.2
76.63968	0.9
79.05498	10.8
81.03423	3.3
81.07048	3.0
82.04218	1.8
84.08151	2.2
85.02888	6.7
86.09716	3.3
91.05446	5.0
93.07063	2.9
95.04972	2.0
95.08604	2.3
97.02902	1.7
97.06522	1.7
105.07047	2.3
107.04954	36.9
107.08598	1.6
109.02906	1.5
109.06527	1.4
109.10165	1.3
110.03699	1.4
111.04415	1.4
111.08102	1.6
115.05479	4.5
117.07038	4.0
119.04937	0.9
119.08595	1.6
121.06522	1.0
122.03675	1.2
123.04431	2.0
123.08061	1.1
124.05206	5.0
125.05994	3.4
127.03921	1.8
129.06956	2.3
131.04936	2.7
131.08604	3.1
133.06525	2.7
133.10127	1.2
135.11783	1.0
136.07570	1.6
137.06006	2.9
138.03156	1.4
141.06993	2.2
144.05688	2.1
145.02861	1.1
145.06482	10.7
145.10126	1.0
147.04463	1.5
147.07988	1.5
149.05971	1.3
151.04018	1.3
152.04742	3.1
153.05502	2.4
155.06099	2.8
157.06488	4.1
159.04266	0.9
159.08089	4.8
159.10179	4.3
161.05972	9.8
165.05428	1.3
167.07043	100.0
168.07390	3.4
171.06572	2.7
172.05238	3.9
173.05988	8.0
175.07536	3.5
177.05588	1.2
177.09190	1.5
181.04956	78.3
182.05354	2.2
182.08171	2.0
185.06015	2.7
187.07564	8.2
189.05482	5.5
190.06223	2.0
191.10701	2.6
193.08646	1.4
195.06532	6.3
200.04692	1.8
201.05463	11.9
202.06157	1.7
203.07050	4.7
205.08586	9.4
206.05745	2.4
207.10202	2.1
213.05540	1.5
217.08658	2.6
218.05737	7.5
219.06578	5.2
219.10208	4.3
221.08052	10.6
231.06512	3.0
233.08086	53.0
234.08531	2.3
235.09650	29.8
237.18509	1.7
245.08069	4.4
249.11226	12.3
251.09129	25.4
263.07162	1.2
263.09192	21.3
279.09903	1.0
281.10272	7.2
290.49026	1.0
292.07315	1.1
293.08054	1.4
295.09460	2.0
307.09702	1.9
323.09042	1.7
327.12198	1.5
327.40967	1.1
331.08112	3.0
337.06738	1.5
339.12311	1.9
346.10300	1.8
352.09259	1.2
355.11685	3.0
356.12692	1.1
367.11734	3.7
371.14783	2.4
372.12094	1.3
381.13181	1.9
384.12085	1.9
387.14566	7.1
399.14468	10.9
405.15329	1.8
417.15417	89.5
418.15912	4.9
426.18423	1.1
435.16541	14.3
474.49933	1.1
554.77734	1.2
578.23962	1.1
615.18890	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	614.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01873	3.1
55.05510	2.5
65.03956	3.0
67.05508	4.7
69.03431	3.3
70.06619	1.1
71.05000	1.1
79.05494	13.0
81.03414	6.1
81.07066	3.3
83.04987	3.6
85.02916	2.6
89.03927	1.2
91.05474	6.8
93.07063	2.5
95.04970	5.4
95.08617	1.8
95.96106	0.8
97.02884	2.8
97.06557	1.3
99.04491	2.4
101.22842	0.9
103.05473	5.7
105.07033	56.9
105.36134	0.9
106.07398	2.0
107.04962	11.1
107.08604	2.5
109.02882	2.6
109.06520	2.2
109.10162	12.2
111.04440	3.5
115.05460	12.6
116.05782	1.5
117.07051	3.7
118.04176	4.1
118.07375	1.2
119.04951	1.6
119.08575	4.7
121.06467	1.0
121.10192	1.0
123.04450	4.2
123.08109	1.4
125.05993	2.2
128.06253	2.7
129.07013	1.4
131.04932	2.3
133.06496	53.3
133.10104	5.8
134.06808	2.0
135.08054	1.3
137.05991	3.3
137.09616	22.8
143.04988	1.9
143.06082	4.0
143.08521	7.9
145.06506	4.0
145.10159	2.4
146.07043	2.0
147.04361	1.1
147.08054	8.6
153.05499	1.6
155.06052	1.9
159.08067	1.1
161.05984	100.0
161.09619	34.0
162.06308	4.6
162.08681	1.0
162.10010	1.9
163.11252	1.1
165.05479	1.0
165.09122	26.5
166.08641	3.3
167.07047	34.6
168.07394	11.1
173.06007	7.2
174.06438	4.1
178.36671	0.9
179.10728	3.5
181.04961	11.0
182.05334	4.2
187.14896	1.3
189.09192	4.5
193.08607	87.2
194.08981	3.5
205.08574	1.1
206.09015	1.2
207.10167	22.2
209.97002	1.0
225.11252	7.1
233.08163	2.0
235.09734	2.6
236.09940	1.0
237.14677	1.2
287.05530	3.9
357.81458	0.9
369.15439	2.4
385.12906	2.9
386.13293	6.8
387.16519	2.1
417.15466	2.2
418.15814	4.2
478.58081	1.0
614.22986	17.4
615.23767	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	614.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52068	1.6
55.05515	4.0
57.07081	57.7
67.05525	3.3
69.07078	6.5
69.88354	7.1
69.88700	1.8
71.08636	49.2
73.06554	5.6
74.04926	1.9
81.07068	3.0
83.08640	5.8
85.10188	28.1
87.04459	6.3
89.06033	100.0
93.07072	4.5
95.08592	3.0
97.10165	3.4
98.22705	2.6
99.11746	5.5
105.07085	2.4
107.07113	2.3
111.11720	2.5
113.13304	7.4
117.09155	6.4
119.08591	2.6
120.70469	1.9
125.13303	2.7
127.14893	3.6
129.14850	1.7
130.08662	2.2
133.07610	4.2
133.08614	66.2
145.10114	2.8
150.22011	1.8
161.11668	2.5
163.29765	2.0
175.09660	1.8
177.11230	28.8
183.21133	2.6
221.13799	5.4
252.64723	2.6
271.26349	2.9
283.17413	2.0
292.44739	1.8
315.28903	4.4
327.20105	3.0
371.22733	2.3
415.25452	7.3
422.00070	1.9
428.25168	2.2
494.23309	6.5
508.41599	2.1
551.17560	2.1
597.45496	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	615.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.9
55.05513	7.9
60.30857	2.8
60.95913	2.6
67.05501	9.0
69.03417	11.7
69.07074	8.6
69.25967	4.6
69.26375	17.0
70.06594	5.1
71.04994	32.9
73.02921	4.0
76.87900	2.8
79.05488	11.8
81.03424	3.9
81.07058	28.6
83.04985	7.8
83.08635	5.2
85.02899	28.8
85.06538	10.2
86.09692	5.2
86.81451	2.7
91.05487	10.5
93.07044	32.7
95.04970	17.5
95.08603	12.1
97.02887	8.7
97.06556	4.1
97.10175	7.5
99.04454	3.8
105.01862	4.5
105.07034	31.6
107.08585	24.0
108.05242	3.1
108.32031	3.1
109.02885	3.5
109.06515	4.7
109.10157	26.1
117.07030	3.8
119.08572	17.1
121.10148	81.9
121.11015	5.7
121.14239	3.2
123.11685	5.6
125.09639	43.3
127.03899	7.1
127.11191	17.4
131.08546	4.0
133.10133	87.1
134.10474	4.4
135.11682	7.8
137.05934	4.4
141.09164	4.0
143.04889	3.5
143.10680	100.0
145.04936	9.0
145.10159	14.7
147.11700	18.1
149.13245	6.7
151.11192	10.9
153.12761	9.1
159.11717	13.8
161.13150	5.3
167.07080	17.6
187.07579	4.5
189.16364	37.4
201.16420	14.6
205.08699	6.1
207.17453	13.1
217.08586	11.7
219.10251	3.8
219.17441	41.1
237.18484	41.7
253.83028	3.5
255.19545	40.4
256.19839	4.2
273.20630	19.5
287.05457	27.9
288.05829	37.6
289.06015	47.2
290.06421	25.8
291.06583	13.0
330.11035	4.4
371.15158	3.8
383.14865	15.9
399.23865	3.9
401.16019	9.1
451.11029	4.5
452.11594	5.7
453.11511	7.8
484.47781	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	615.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14676	3.2
53.03931	3.0
55.01882	6.4
55.05519	8.7
57.03423	7.7
60.04510	3.4
61.02922	3.2
64.11831	2.8
67.05512	13.3
67.06093	3.0
69.03435	13.8
69.07066	11.8
70.06592	13.2
71.04995	29.5
71.31440	5.4
79.05498	14.8
81.03405	5.0
81.07059	22.7
83.05001	8.2
83.08644	4.9
85.02897	26.4
85.06570	8.0
86.09719	10.1
91.05464	15.9
93.07042	34.6
95.04987	15.7
95.08620	16.8
97.02903	7.7
97.06534	8.1
97.10175	5.5
103.03949	3.5
105.01884	3.5
105.07034	36.2
107.04967	6.6
107.08606	29.8
109.02875	6.1
109.10138	17.8
117.07037	7.5
119.08601	17.3
121.06525	6.4
121.10144	73.1
123.08067	4.9
123.11653	5.0
125.09634	41.7
127.03947	7.9
127.11187	19.8
131.08582	6.1
133.10130	82.1
135.11681	9.2
137.05977	7.8
138.44902	3.2
143.10677	100.0
145.04967	6.9
145.10146	9.5
147.11716	12.7
149.13280	8.7
151.11201	15.2
153.12764	6.7
156.05742	6.0
159.11714	18.3
161.13268	5.1
167.07047	22.7
187.07587	4.0
189.16377	25.2
201.16425	12.5
207.17477	14.4
217.08543	9.5
219.17441	39.7
237.18465	43.2
247.09703	5.2
255.19530	38.5
273.20670	14.9
287.05502	23.7
288.05859	35.2
289.06049	44.9
290.06241	21.3
291.06671	14.6
370.78241	3.2
383.14896	13.3
399.23801	5.9
401.15961	7.6
452.11523	4.5
453.11856	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49627	1.1
53.91285	1.0
57.94915	1.0
67.05495	1.5
71.31431	1.2
81.07039	1.3
89.87865	1.0
93.69260	0.9
95.08592	1.4
96.26946	0.9
134.24393	1.0
137.06009	3.6
138.06381	1.5
151.03821	1.3
163.07474	1.5
167.07028	8.4
168.07405	1.2
181.04971	3.0
191.06999	2.2
193.08765	1.1
196.17700	1.1
203.05318	3.7
205.08527	1.2
217.08699	1.1
227.05397	2.5
245.06355	8.1
271.04022	1.0
277.72409	1.0
289.05304	60.0
290.05637	1.2
349.27121	16.8
367.28223	7.5
388.15118	1.3
389.15240	1.5
431.41266	1.1
529.33203	1.4
571.34656	9.6
597.32373	2.6
615.33496	100.0
616.34100	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	615.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41327	0.4
60.38112	0.4
63.85923	0.4
64.16396	0.4
67.05510	1.0
69.03429	0.5
69.07074	0.7
70.35609	1.2
73.06886	0.4
79.05484	0.7
81.07062	1.1
85.02930	0.6
93.07046	0.8
95.08628	1.0
95.54354	0.4
97.02860	0.8
107.08627	0.9
109.10157	0.6
111.29803	0.4
115.47478	0.4
121.10146	0.6
129.06981	0.5
137.05968	0.6
151.82706	0.5
167.07048	0.5
185.04230	0.9
201.03737	0.8
203.05251	2.0
227.05383	1.0
243.04808	2.6
245.06332	8.5
245.08800	0.7
271.04282	1.0
281.20831	5.2
281.23187	0.4
282.21329	0.6
287.03592	12.0
288.04077	0.6
289.05295	35.5
290.05698	1.4
333.27496	0.4
341.85635	0.5
349.27112	3.6
351.28677	4.4
367.28244	3.6
483.57465	0.5
529.33209	1.2
553.33398	1.3
571.34589	9.0
572.34772	0.8
579.31335	2.7
597.32422	22.3
598.33002	2.9
615.33508	100.0
616.33820	13.1
616.43848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42858	0.3
53.03968	0.4
55.05505	1.2
57.07064	0.5
57.51314	0.3
62.55501	0.3
67.05495	2.0
69.03431	0.9
69.07075	1.0
70.65770	0.4
71.04991	0.5
71.31453	0.3
79.05486	1.7
81.07069	1.8
81.07492	0.4
83.04981	0.8
83.08620	0.9
85.06549	0.5
89.06042	5.1
90.06360	0.8
91.05492	2.4
93.07041	3.0
95.04980	0.8
95.08638	1.8
97.06547	0.6
97.10173	0.4
98.55239	0.3
105.07023	3.0
106.07387	0.3
106.50072	0.3
107.08590	2.7
107.68866	0.4
108.08960	0.3
109.06525	0.9
109.10193	1.1
111.08022	0.3
117.07024	0.9
119.08600	3.2
121.06490	0.5
121.10152	2.7
123.08078	1.2
125.09657	0.7
128.06221	0.4
129.07024	0.6
131.08582	1.3
133.08606	3.3
133.10141	2.4
134.08980	0.8
135.08073	0.7
135.11716	1.0
137.09616	0.7
141.07045	0.4
142.07881	0.6
143.08589	1.3
144.09335	0.4
145.10110	2.5
147.08054	1.1
147.11720	0.5
149.09673	0.7
151.07567	0.8
155.08609	0.8
156.09369	0.6
157.10098	1.9
159.08096	0.7
159.11710	0.9
161.09615	0.6
163.11182	1.1
165.09120	1.2
167.10686	0.3
168.09137	0.4
169.10139	0.7
171.11723	0.5
173.13283	0.7
175.11247	0.7
175.14838	0.6
177.11263	1.4
179.08636	0.5
181.10127	0.6
181.12228	0.7
182.10904	0.4
183.11708	0.9
185.13264	0.5
187.14874	0.6
189.12837	0.5
195.11725	0.5
197.13219	0.7
199.11162	0.4
203.14395	0.5
207.11703	0.6
207.13719	0.5
209.13239	0.8
213.12756	0.3
221.13533	0.5
221.15417	2.6
223.14929	0.4
225.16402	0.4
233.15349	0.4
395.53699	0.4
416.25934	0.5
461.25015	1.0
463.26974	0.5
469.18967	0.4
560.33984	0.4
597.39893	0.5
615.38690	100.0
616.38977	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.8
53.03942	6.8
53.39002	2.3
55.05509	20.1
57.02548	2.9
57.07082	10.5
59.04996	18.2
63.05796	2.6
63.94535	2.8
64.48576	2.9
65.03941	3.1
65.22252	2.9
67.05508	32.4
69.03440	6.2
69.07072	14.3
69.29492	7.0
69.29920	13.0
71.04992	3.5
73.06570	6.4
73.65047	2.6
78.52515	2.4
79.05495	29.1
81.07061	48.8
83.04973	6.5
83.08630	8.2
85.06539	20.6
89.06039	8.4
91.05485	51.2
93.07048	74.0
93.07614	5.2
95.04980	10.9
95.08613	49.9
97.06546	7.3
97.10178	4.2
98.22614	6.0
99.08123	4.9
103.05504	4.8
105.07037	58.4
107.08604	59.9
108.05789	2.5
109.06509	13.3
109.10146	30.4
111.08099	12.6
115.05446	3.5
117.07025	14.4
119.08583	96.2
121.06510	6.3
121.10151	38.7
123.04462	3.2
123.08072	51.1
123.08935	4.0
123.11789	6.6
125.05990	3.3
125.09644	16.9
128.06230	8.2
129.07002	13.9
130.07820	5.0
131.08563	33.7
133.06538	4.4
133.10132	65.7
135.08083	17.1
135.11685	18.9
137.09676	13.8
139.11159	3.1
141.07048	6.1
142.07802	12.1
143.08545	21.6
144.09399	3.0
145.06499	3.0
145.10129	39.1
147.08061	17.1
147.11687	22.2
149.09648	9.4
149.13234	4.2
151.07556	49.2
151.11169	13.2
155.08591	12.0
156.09384	9.9
157.10129	31.6
158.10867	5.6
159.08130	3.6
159.11707	32.7
161.09631	15.2
161.13283	11.2
163.11159	13.2
165.06989	4.0
165.09137	36.8
167.08553	6.4
168.09430	3.6
169.10146	17.1
170.10916	6.9
171.11690	20.9
173.09700	5.0
173.13217	18.8
175.11284	5.3
175.14830	20.9
179.08542	4.6
179.10722	4.9
181.10158	9.2
181.12228	9.7
182.10930	8.3
183.11760	10.0
183.13933	3.8
184.12439	2.9
185.13322	11.0
187.11273	3.5
187.14876	9.5
189.12746	13.9
191.14294	6.8
193.10133	4.8
193.12256	4.6
193.15958	3.7
194.10902	7.6
195.11766	11.7
195.13649	3.9
196.12460	5.1
197.09721	2.7
197.13272	13.6
199.11203	5.4
199.14828	6.7
201.12828	5.0
201.16444	4.9
203.14377	18.8
207.11926	4.7
207.13860	16.5
208.12474	4.3
209.13322	12.5
209.15250	5.2
211.11407	4.2
211.13300	11.4
211.15009	5.4
213.12787	3.4
217.15884	5.4
219.11728	3.5
220.12444	3.9
221.13335	7.5
221.15361	100.0
221.17471	5.5
222.13831	5.0
222.15828	5.6
223.14832	6.5
223.17006	14.3
225.16374	3.9
231.11803	2.7
233.13383	4.2
233.15486	5.1
234.13815	3.1
235.14865	7.4
247.17056	6.6
249.16347	3.7
251.16455	8.7
265.19464	3.8
277.18277	3.2
281.19052	3.7
283.20703	4.0
286.19189	4.8
287.20142	6.4
299.20084	7.4
301.21835	3.0
331.22763	3.5
375.26852	6.2
403.29932	4.1
435.32138	3.9
469.19345	4.0
491.35175	11.8
549.75079	3.3
565.39978	4.4
583.41333	28.5
597.42896	9.7
615.43793	93.0
616.44489	14.8
637.24176	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	615.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.05504	26.5
56.92709	4.3
57.07074	22.1
59.05006	32.1
59.54779	4.4
65.03937	6.7
66.27377	5.2
67.05511	46.8
69.03422	10.4
69.07059	19.1
69.24723	27.3
71.04994	4.9
72.62883	4.7
73.06536	5.2
79.05496	37.0
81.03413	5.4
81.07058	53.8
83.04977	23.5
83.08626	11.4
85.06553	35.1
89.06041	12.1
91.05482	67.9
93.07047	64.7
95.04975	16.0
95.08610	60.0
96.37312	4.8
97.06527	14.6
97.10257	4.6
99.08091	6.9
105.07031	79.4
107.08601	57.3
109.06503	12.4
109.10139	38.9
111.08096	16.7
115.05468	5.1
117.07016	16.4
119.08577	85.2
121.06502	9.1
121.10135	40.9
123.08062	37.0
123.11701	7.6
125.05974	33.0
125.09651	21.8
128.06226	7.6
129.06998	9.7
131.08563	39.3
133.06430	6.0
133.08632	6.1
133.10136	73.6
135.08000	16.7
135.11678	18.8
137.09615	23.1
139.07613	5.7
139.11252	4.4
142.07777	14.2
143.08563	30.8
144.09319	6.6
145.10133	60.1
147.08032	19.6
147.11703	17.8
149.09642	8.4
151.07555	43.6
151.11156	12.9
155.08551	8.0
156.09329	12.4
157.10139	32.0
159.11713	38.8
161.09618	17.1
161.13284	12.5
163.11197	53.6
165.09102	39.4
168.09320	5.1
169.10136	15.3
170.10808	6.1
171.11653	24.6
173.09583	8.6
173.13306	20.4
175.11247	5.9
175.14832	21.9
177.12642	5.1
179.08542	4.7
181.10074	10.4
181.12238	54.8
183.11685	19.8
183.13725	5.0
185.13214	15.2
189.12733	15.9
191.14336	5.5
193.10210	5.2
193.12189	7.2
194.10916	5.6
195.11751	11.5
197.13245	14.7
199.11020	6.3
199.14827	8.1
203.14326	18.0
205.10208	5.2
206.10999	4.9
207.11781	10.2
207.13786	17.1
209.13283	14.6
211.11211	4.6
211.13164	7.0
211.14961	7.5
219.11658	5.0
221.13354	8.7
221.15337	90.8
223.14876	7.5
223.16873	11.4
225.16451	10.3
235.14857	9.1
237.16312	7.7
247.14751	8.3
247.17055	7.3
251.16347	10.4
271.16876	5.6
286.19293	9.0
287.19962	5.8
299.19962	7.2
491.35352	5.9
583.41614	21.8
597.42810	7.3
615.44012	100.0
616.44647	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03941	3.0
55.01892	0.8
55.05514	23.8
57.03440	7.5
57.07076	7.8
65.03941	3.1
67.05506	58.3
68.05846	1.9
69.03450	1.1
69.06684	0.8
69.07067	26.1
71.05002	2.8
71.08642	2.4
79.05495	34.2
81.03435	1.0
81.07057	62.9
82.07414	1.0
83.04982	1.5
83.08621	15.7
83.88584	0.8
85.06541	2.2
85.10176	0.9
91.05483	26.1
92.88502	0.7
93.07043	43.8
94.07370	0.9
95.04968	2.8
95.08608	53.4
96.08935	1.5
97.06528	4.2
97.10174	8.3
98.22639	2.4
99.08098	1.2
105.07028	26.1
107.08595	26.3
109.06521	1.5
109.10159	22.4
111.08096	2.0
111.11726	1.6
113.09676	1.1
117.07022	8.8
119.08588	24.0
120.08970	0.9
121.10146	22.2
123.08023	1.0
123.11715	10.2
125.09676	3.0
128.06268	0.9
129.07005	2.8
131.08568	14.4
133.08659	1.1
133.10135	18.4
135.08110	0.8
135.11690	13.8
137.09596	1.5
137.13254	3.8
142.07809	0.9
143.08571	5.2
145.10133	13.8
147.11685	14.5
149.09615	1.2
149.13266	7.8
151.14859	1.0
155.08553	1.2
157.10133	4.3
159.11719	9.7
161.13255	11.2
163.14821	5.5
165.16479	0.9
169.10078	1.2
171.11708	4.1
173.13254	7.8
173.14447	0.8
175.14842	5.5
177.16490	2.2
183.11702	1.4
185.13287	3.3
187.14766	3.8
189.16420	4.0
190.60286	0.8
191.17993	1.1
197.13318	1.2
199.14897	2.0
201.16428	2.1
203.18005	1.5
205.19623	1.7
211.14926	1.0
213.14775	1.1
215.17966	1.8
217.19759	1.2
219.21056	1.0
231.21201	1.0
233.22714	1.1
241.19519	3.0
243.21144	4.2
245.22774	2.0
247.20587	1.1
247.24382	1.0
259.20651	3.7
261.22116	10.7
263.23788	1.5
269.22604	1.0
275.23740	1.7
276.70438	0.9
279.23230	1.4
287.23889	1.5
289.25531	1.1
303.23282	1.2
303.26825	1.0
317.24991	1.8
317.28415	1.3
329.28711	1.7
333.24387	2.5
335.25803	8.9
337.27374	13.2
339.28995	3.3
349.27597	1.1
407.27795	1.0
415.35641	1.2
505.44327	1.5
517.38550	1.0
518.53241	1.0
523.44946	6.0
531.40424	1.6
541.46393	3.5
597.48694	11.4
615.49817	100.0
616.50256	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	615.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
52.88091	0.5
53.00305	0.5
53.03939	2.3
55.01871	1.5
55.05511	22.3
55.71039	0.4
57.03436	6.7
57.07074	7.2
59.05006	0.9
65.03948	2.0
67.05505	58.1
67.47639	0.5
68.05835	0.8
69.07069	25.5
70.07403	0.5
70.45350	0.8
70.45689	0.9
71.04990	1.5
71.08634	2.9
73.06547	0.8
76.98946	0.6
77.03950	0.5
79.05492	32.8
81.07058	61.3
82.07394	1.6
83.04982	1.7
83.08622	15.8
85.06544	2.2
85.10178	1.3
89.06049	0.6
91.05481	23.7
93.07044	42.4
94.07406	0.7
95.04978	2.7
95.08607	50.0
96.08956	1.2
97.06532	3.7
97.10172	6.9
99.08102	1.7
103.05428	0.7
105.04517	0.9
105.07030	24.8
107.08592	25.3
108.08909	0.9
109.06495	1.6
109.10152	23.1
109.10912	1.1
110.10481	0.8
111.08105	2.3
111.11705	2.6
113.09688	0.7
115.40289	0.5
117.07021	5.7
119.08580	23.5
120.08957	0.8
121.10139	20.7
121.11013	1.1
122.10464	0.9
123.08105	0.9
123.11711	10.0
125.09662	1.2
127.11144	0.7
129.06976	3.0
130.07840	0.8
131.08568	15.1
132.08925	0.6
133.10129	19.5
134.10522	0.6
135.08087	0.9
135.11688	12.7
136.12012	0.5
137.09641	1.0
137.13263	3.8
139.11183	0.8
141.07033	0.7
143.08565	3.1
145.10129	13.7
147.11684	13.7
148.12009	0.7
149.09706	1.0
149.13255	9.4
149.14333	0.8
149.29414	0.5
151.11179	0.9
151.14865	2.2
153.12744	0.9
155.08556	1.3
156.74727	0.5
157.10127	3.9
159.11690	9.2
161.09698	0.6
161.13268	8.9
162.13623	0.5
163.11159	0.6
163.14807	5.4
165.12781	0.5
165.16382	1.4
169.10133	0.8
171.11697	3.7
173.13254	8.3
174.13663	0.5
175.14815	6.2
177.12766	1.4
177.16408	3.3
177.73227	0.5
179.14369	0.5
179.17926	1.2
181.10008	0.6
183.11716	0.9
185.13231	3.0
187.14789	4.4
189.16394	3.2
191.18010	1.6
193.19588	0.9
197.13304	1.0
199.13271	0.6
199.14793	2.4
201.16434	1.9
203.14484	0.9
203.17998	2.0
204.79099	0.5
205.19646	1.4
207.17360	0.5
211.14757	0.7
213.16489	0.6
215.18008	1.8
217.19554	0.9
219.17435	0.7
219.21065	1.3
227.18106	0.6
229.19589	1.1
231.21165	1.8
233.18994	1.0
233.22716	1.6
241.19765	3.0
243.21039	3.0
245.22702	1.9
247.20627	1.0
247.24232	1.4
259.20563	6.8
261.22150	14.7
262.22546	0.6
263.23767	2.0
269.22855	0.7
273.22104	1.7
275.20297	0.7
275.23666	2.0
277.21826	0.8
277.24948	0.6
279.23251	1.0
285.22278	0.7
287.23749	1.7
288.50681	0.6
289.22345	0.6
289.25406	1.4
295.22888	0.7
299.23712	1.0
301.25241	1.5
302.90771	0.6
303.26996	1.0
305.21402	0.6
309.24261	1.1
311.26001	0.5
313.25525	0.7
315.23163	0.8
315.26678	0.9
317.24768	2.1
317.28342	0.8
319.26468	0.9
321.24484	0.8
323.26041	0.5
324.35468	0.6
333.24237	3.8
335.25784	11.8
336.26071	0.5
337.27344	16.3
338.27844	1.4
339.29004	6.1
340.29199	0.7
343.30118	0.6
347.25787	0.9
351.28937	0.8
357.31635	1.3
363.28937	0.7
375.28830	1.0
385.34802	1.1
429.37888	0.6
431.35574	0.7
439.35571	0.8
489.35309	0.6
503.37488	1.2
504.81781	0.5
505.38226	0.7
505.44690	0.9
517.38843	1.0
519.40515	0.7
522.36346	0.6
523.45154	5.2
524.45752	0.7
531.40509	1.7
541.46387	3.2
545.42212	1.6
559.46588	1.0
597.48743	14.1
598.49060	1.9
615.49780	100.0
616.50134	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	616.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.6
55.01877	22.8
55.05513	15.5
57.03443	6.1
61.02921	4.9
67.05510	18.5
69.03440	17.1
69.07076	33.9
69.11564	33.4
70.06561	5.0
71.04995	14.9
73.02918	8.5
77.03900	3.3
79.05492	26.0
81.03413	4.2
81.07063	74.7
81.86461	3.5
83.01345	3.8
83.04993	43.2
83.08658	6.0
85.02918	7.5
85.06544	11.7
85.19396	3.5
86.09721	9.1
91.05486	25.7
93.07047	81.6
95.04987	37.3
95.08601	50.9
97.02914	3.6
97.06539	51.8
98.22668	8.7
99.04482	26.3
101.02358	18.7
105.07024	69.7
107.04967	6.2
107.08597	54.1
109.06516	45.1
109.10170	13.4
111.08080	60.4
111.45387	3.7
113.06017	5.3
117.06992	6.8
119.08575	45.8
121.06499	61.3
121.10162	19.9
123.08082	15.0
123.11706	30.4
125.06009	16.7
127.03912	5.0
127.07570	15.0
129.01833	6.4
129.07010	6.9
131.08597	6.4
133.10123	51.1
135.08057	29.6
137.05992	11.8
137.09587	5.0
139.07544	29.9
141.05431	5.1
142.07806	8.1
143.08534	10.2
145.10173	9.5
147.02887	8.6
147.08028	10.5
147.11691	95.6
149.09622	7.8
149.13258	9.8
149.46863	3.6
151.11203	25.4
155.13779	4.6
157.08803	6.3
157.10164	29.5
159.06561	9.1
161.04478	89.5
161.05827	7.2
161.13283	11.3
162.04823	3.9
163.11145	4.8
165.12756	58.0
169.12238	58.8
171.11703	14.2
173.09711	7.4
175.11194	82.2
189.03978	6.9
189.12738	27.8
193.12248	100.0
199.11168	19.5
207.13846	9.3
211.13300	79.5
217.03508	19.0
217.12277	66.6
218.12639	4.7
229.14362	8.5
235.04384	20.7
235.13307	54.6
243.08669	7.0
245.05862	4.4
252.55707	4.5
253.14339	46.2
257.10254	4.9
259.08368	4.0
271.15384	4.1
287.05640	5.9
311.14944	18.6
325.16379	3.8
329.15939	50.4
335.14926	9.2
353.15967	86.0
354.16449	4.4
367.13837	21.6
371.17136	26.6
385.14880	67.4
386.15408	4.9
403.15955	26.0
409.14874	45.9
427.15863	17.5
455.62909	4.6
527.17609	23.1
545.18585	29.0
563.19202	4.3
617.27258	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	616.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92849	2.5
53.03942	3.5
55.01875	22.9
55.05506	11.7
56.33176	2.9
56.80181	2.6
57.03410	3.8
57.93850	2.9
61.02920	8.2
67.05503	24.5
69.03430	6.7
69.07072	18.7
69.38755	15.5
70.06581	5.4
71.04989	11.5
73.02907	10.1
79.05488	26.1
81.03409	6.7
81.07055	64.8
83.01352	5.8
83.04980	36.5
83.08618	5.3
84.08138	3.2
85.02911	7.7
85.06533	14.3
86.09682	3.1
91.05481	26.9
93.07044	68.2
95.04972	28.1
95.08599	33.4
97.06523	35.0
99.04447	16.4
101.02375	12.5
105.07032	55.0
107.04941	6.3
107.08599	38.3
109.06525	31.8
109.10158	10.7
111.00808	6.2
111.04427	4.3
111.08075	44.6
113.06025	5.6
117.03359	3.9
117.07048	4.4
119.03419	7.5
119.08566	24.6
120.08851	4.5
121.06514	55.0
121.10145	9.3
123.04392	4.1
123.08067	10.4
123.11693	24.5
125.05992	19.2
127.03952	3.2
127.07552	9.7
129.01852	4.7
129.07001	3.5
131.08562	7.7
133.06474	4.4
133.10124	31.9
135.04398	4.4
135.08052	17.3
135.11662	3.7
137.05981	9.7
139.07556	24.8
142.07733	8.3
143.03380	6.6
143.07027	4.4
143.08583	7.0
145.02873	6.2
145.06494	3.0
145.10094	10.5
147.02829	3.3
147.08035	7.0
147.11682	85.9
148.12054	4.0
149.05983	5.8
149.09596	5.8
149.13268	7.8
151.11217	16.7
156.09283	2.9
157.08614	4.1
157.10120	15.6
159.06520	8.8
161.04471	70.2
161.05835	6.8
161.13254	12.4
163.11287	6.6
165.12769	44.2
167.07047	4.6
169.12233	46.6
171.11636	13.0
173.09540	3.1
175.11169	68.1
177.05457	22.0
181.10156	3.6
189.12747	32.1
191.07068	3.0
193.08589	3.9
193.12253	74.4
194.12531	4.4
199.11205	22.2
207.13823	9.6
209.08093	10.0
211.11287	4.5
211.13283	75.2
212.13559	3.2
217.03481	19.6
217.12231	61.5
229.14322	6.2
235.13297	60.8
243.08771	6.3
253.14357	54.4
257.10153	3.0
259.08072	6.2
271.15421	6.0
276.21481	3.0
307.15402	3.4
311.14984	14.5
325.16489	6.6
329.15891	45.4
335.14899	8.6
353.15918	100.0
354.16284	6.0
371.16974	46.5
385.14938	38.2
386.15182	3.3
403.15924	17.4
409.14923	12.5
427.15985	19.0
527.17841	13.7
545.18665	20.0
563.19568	8.1
617.28223	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	616.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33111	1.0
53.03933	1.9
55.01871	2.7
57.03427	0.9
61.02918	1.6
69.03427	3.7
69.36494	5.3
70.06583	1.5
71.04936	1.0
78.04702	1.3
79.05495	8.0
81.03414	10.4
85.02909	11.8
86.09705	2.4
91.05470	5.6
95.04946	1.5
97.02911	5.2
98.22682	1.6
103.05447	2.5
106.04192	1.3
107.04953	20.6
109.02892	1.4
115.05454	5.0
116.06219	1.4
117.06995	7.9
123.04440	4.4
124.05222	3.7
124.30513	1.2
128.06233	1.9
129.06987	6.9
131.04950	2.7
131.08545	8.9
133.06488	2.3
137.06015	1.3
141.07004	5.0
144.05635	7.2
144.06686	1.8
145.04944	2.9
145.06502	16.7
147.07999	1.7
149.05984	1.4
152.04674	2.4
153.05464	1.2
155.06036	3.4
156.05685	10.1
157.06467	2.9
158.07277	3.1
159.08026	14.0
160.05156	1.2
161.05984	3.1
162.07610	4.4
167.07036	70.5
168.05817	1.1
168.07410	2.2
169.07640	1.2
172.05223	2.2
173.05975	22.3
174.06702	1.4
175.07559	1.9
180.08704	4.7
181.04955	1.5
183.06554	1.5
183.67297	1.1
184.05217	2.2
186.06804	3.4
187.07533	10.5
190.06236	14.0
191.06956	3.2
191.08557	1.9
193.08662	2.7
195.06520	1.5
197.08157	1.2
201.09061	2.6
202.06287	5.2
203.06978	2.5
203.08643	2.0
204.07886	2.2
205.08585	33.1
206.09119	1.3
207.06491	3.5
207.10210	1.4
208.05234	4.1
208.08766	1.3
210.06732	1.9
214.06311	1.4
215.06941	1.2
217.06451	2.0
217.08578	37.9
218.07231	2.0
218.09119	1.7
219.08069	5.8
219.10219	4.9
220.08813	3.5
221.06007	1.3
221.09395	1.2
229.08536	6.2
231.08072	4.9
231.10216	1.9
233.06108	1.4
233.09650	3.1
235.07535	2.1
235.09433	8.1
236.08266	2.3
245.09708	2.6
246.06750	2.2
247.07481	7.0
247.09718	14.5
248.08249	7.5
249.08948	3.0
251.10715	3.0
254.05707	3.0
255.06439	1.1
256.07074	1.4
258.06735	1.7
259.07544	4.0
260.08359	1.4
261.05386	1.2
261.09222	3.5
262.09885	3.0
263.07019	2.7
263.10742	5.4
264.07852	5.3
264.10574	1.2
265.08411	3.5
265.10745	11.9
267.06500	3.0
269.08054	9.7
271.09753	6.2
275.06888	5.9
276.07764	6.6
277.08481	4.8
278.05704	1.4
278.09326	1.0
279.10101	7.6
280.10794	1.2
282.05872	1.2
282.08792	5.9
290.09348	3.8
291.10092	9.4
292.07437	3.0
292.10825	2.0
293.08081	6.9
294.08698	1.4
296.10376	1.6
299.09146	2.2
300.06049	1.5
301.07086	1.6
305.08206	2.8
305.11670	1.4
306.08801	1.3
307.09668	9.2
308.10309	4.8
309.11017	1.8
310.08334	3.0
311.12900	2.5
313.10858	1.4
315.08603	34.2
315.12140	2.3
316.09015	2.4
319.09576	6.7
320.10373	1.2
321.07352	3.7
321.11136	2.5
322.11914	1.5
323.09131	1.8
323.12796	7.0
324.09866	1.9
325.10587	2.5
328.09369	3.1
330.10974	52.1
331.11688	10.2
336.09787	3.5
337.10599	6.3
338.11404	1.6
339.08691	1.4
339.12140	7.9
343.11670	8.3
350.11395	2.7
351.12268	16.9
352.12863	4.0
353.10382	6.7
353.14127	1.1
356.12381	3.0
368.12567	8.5
369.13174	8.3
371.14944	10.9
383.14874	100.0
384.15140	8.6
401.15933	50.2
402.16266	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	616.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
54.20033	1.5
56.22285	1.5
69.03456	2.2
70.06585	7.2
72.08147	6.0
75.18300	1.5
75.73493	1.3
75.78175	1.5
79.05497	10.2
81.03440	11.0
85.02898	6.1
86.06080	1.7
86.09700	5.0
91.05496	5.8
95.04966	3.0
97.02888	1.8
103.05439	2.6
105.07026	2.9
107.04955	25.5
114.05520	2.1
115.05462	8.8
117.07003	16.1
122.03687	1.7
123.04408	3.4
124.05207	4.0
127.03953	1.8
128.06192	2.2
129.06973	5.0
130.04124	2.4
131.04955	3.0
131.08611	8.1
133.06479	3.3
141.06917	3.5
144.05685	3.8
145.06487	28.1
147.08037	2.6
152.04668	3.2
153.05511	1.6
155.06044	4.4
156.05684	11.7
157.06487	3.7
158.07254	2.4
159.08058	16.6
161.05948	3.9
162.07648	1.9
167.07039	89.4
168.07425	2.8
169.07692	2.5
173.05972	52.0
174.06660	3.1
175.07570	2.8
181.05032	1.8
181.08615	2.5
183.06532	1.8
184.05241	2.1
186.06750	2.2
187.07573	10.8
190.06247	35.9
191.07004	3.4
191.08517	1.8
193.08563	3.1
198.92021	1.7
201.09076	2.2
202.06245	7.1
203.07014	6.3
205.08594	69.9
206.08968	3.8
207.10089	2.0
208.05200	4.4
208.08723	2.0
211.07455	1.8
217.08589	57.5
218.07129	1.8
219.08038	5.9
219.10168	7.1
220.08798	2.9
221.09712	2.4
223.09619	3.8
229.08459	4.7
231.08005	4.7
231.10109	2.0
233.06018	1.9
233.09491	3.3
235.09578	17.1
235.11278	1.5
236.08243	3.2
238.06097	1.7
245.09590	2.2
246.06815	2.1
247.07605	10.3
247.09676	11.3
248.08220	8.4
249.05296	2.4
249.09010	2.9
251.10596	3.2
254.05640	3.2
254.11418	2.5
256.07202	1.6
259.07410	2.3
261.09189	4.0
262.09882	3.1
263.07120	2.8
263.10620	6.8
264.07724	7.6
265.08475	2.3
265.10767	18.3
267.06448	2.2
269.08032	10.3
271.09628	4.8
272.06772	1.8
275.06961	5.3
276.07956	4.2
277.08609	5.9
279.10138	6.8
282.08908	3.8
289.08511	2.6
290.09238	3.8
291.10126	11.5
292.07101	2.6
293.07971	7.8
295.08313	1.6
299.09122	2.5
300.05933	1.7
301.07062	3.0
305.08148	3.0
307.06183	2.1
307.09558	9.2
308.10254	4.4
310.08289	2.6
311.13077	2.8
315.08627	38.5
316.09109	3.5
319.09555	4.6
321.07639	2.6
321.11157	2.5
323.12808	10.1
325.10623	4.5
328.09534	2.5
329.14502	3.4
330.10962	66.0
331.11612	13.1
335.09012	1.9
336.09796	3.9
337.10684	4.2
339.12143	8.9
343.11691	8.7
350.11493	2.0
351.12173	15.9
352.12936	4.7
353.10196	7.0
368.12372	9.5
369.13141	10.9
371.14850	14.3
383.14871	100.0
384.15170	9.1
398.38547	1.9
401.15915	54.1
402.16324	4.4
428.21063	2.2
507.64700	1.7
515.87518	1.6
591.13824	1.7
616.14752	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	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
53.04173	0.6
55.01877	2.6
57.03428	1.0
57.74172	0.6
59.70840	0.7
64.44664	0.7
65.03635	0.7
65.03930	4.0
67.05504	2.0
68.62191	0.6
69.03409	0.8
70.06596	6.0
71.05012	1.0
71.39742	0.6
72.08154	3.1
73.11310	0.7
75.04477	3.2
78.04701	2.4
79.05506	3.8
79.11453	0.6
81.03412	0.9
81.07059	0.8
81.88568	0.7
84.04485	1.3
84.08148	2.1
85.02910	4.7
86.09708	3.3
89.03906	1.3
89.06021	1.0
91.05486	11.0
93.03402	10.5
93.07049	6.9
95.04971	5.1
95.08610	1.0
97.02848	1.1
97.06538	1.9
102.87319	0.8
103.05470	7.8
105.04499	1.0
105.07041	11.7
106.04178	24.2
107.04967	2.8
109.06516	0.8
111.04467	0.7
112.07612	3.9
115.05457	2.3
118.04156	0.8
119.04938	2.0
120.08113	1.0
121.05637	1.5
121.06508	28.6
122.07358	0.9
123.04449	1.7
123.08034	0.7
124.05211	0.9
125.06005	8.2
127.03945	0.9
129.10245	1.4
131.04926	2.8
133.06499	11.1
134.03625	4.5
135.04453	1.1
137.05939	4.6
138.06764	1.5
139.03932	0.8
139.07527	2.5
140.07076	2.6
143.04926	0.7
143.06071	1.8
145.02866	1.7
147.04353	0.8
148.05153	2.6
149.05986	43.5
150.06348	1.5
151.03958	0.8
151.07526	2.2
153.05447	1.5
153.09109	10.6
153.23189	0.8
161.05980	23.4
163.07565	4.7
163.08707	0.8
166.06314	1.2
167.07074	3.3
173.05862	0.8
176.04903	0.7
177.05463	22.8
178.05890	1.1
181.06363	1.1
181.08598	20.5
182.08972	0.8
191.07030	23.0
192.07332	0.9
193.08603	24.5
193.10403	1.2
205.08699	0.8
207.24385	0.8
209.08095	100.0
210.08424	3.8
241.08638	1.0
257.06342	0.9
277.67148	0.7
295.09702	0.8
301.10712	1.2
312.10123	1.0
315.12241	0.8
327.12198	2.5
333.13297	10.7
369.13318	1.4
383.14584	0.8
387.14331	2.3
389.15674	1.0
401.15942	2.3
419.16797	1.4
617.18365	0.9
617.28052	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97466	1.5
55.01875	2.5
60.04510	2.4
61.02923	1.5
66.66844	1.3
69.03437	4.3
70.06592	12.6
72.08158	5.5
75.91568	1.4
78.04697	1.5
79.05493	10.6
81.03413	6.7
81.96862	1.5
84.04514	4.0
84.08167	5.8
85.02903	11.8
85.74535	1.5
86.09711	7.0
91.05492	5.6
95.04971	2.4
97.02917	4.7
99.04479	1.6
101.07198	1.8
103.05492	2.0
105.07027	3.4
106.04150	1.5
107.04959	25.6
109.02854	1.4
114.36030	1.6
115.05475	6.3
117.07025	12.1
120.08096	1.6
121.02943	1.7
122.03587	1.4
123.04458	5.7
124.05228	2.7
127.03906	2.4
128.06226	3.5
129.07019	6.1
129.10242	3.9
131.04932	1.7
131.08565	8.6
133.06512	3.0
135.04352	1.5
137.05983	4.5
141.07011	5.3
144.05672	9.1
145.04971	2.6
145.06487	19.4
147.04391	1.8
147.07973	1.7
149.05989	2.5
152.04660	3.5
153.05562	1.9
155.06050	2.4
155.07176	1.7
156.05684	14.3
157.06528	3.9
158.07353	2.6
159.08058	20.2
161.06018	4.7
162.07620	3.1
163.03903	2.1
165.07002	1.6
167.07043	97.2
168.07423	3.8
169.06471	2.2
169.07738	1.9
172.05205	2.2
173.06000	28.7
174.06717	2.0
175.07553	2.3
177.05466	1.5
180.08743	4.6
181.04944	3.1
181.08598	2.3
184.05186	4.1
186.06728	2.8
187.07553	13.9
189.05457	2.0
190.06264	15.9
191.07066	2.8
193.05032	2.1
193.08650	3.5
201.08992	1.6
202.06259	6.2
202.07918	1.7
203.07095	4.0
204.07863	1.9
205.08586	39.9
205.10445	2.7
207.06458	2.7
208.05255	2.3
210.06723	1.8
211.07454	1.9
215.06924	2.1
217.08609	54.0
218.07307	3.2
218.09163	2.7
219.08098	9.8
219.10225	8.5
220.08832	2.8
229.08664	4.5
231.08037	4.9
231.10126	2.0
233.09424	2.9
234.06850	2.3
235.07565	2.8
235.09515	9.2
236.08328	2.9
237.08965	1.6
239.07089	2.0
245.09659	3.0
246.06990	1.4
247.07529	7.2
247.09727	19.5
248.08199	8.3
249.09048	3.1
250.06271	1.8
251.10706	3.6
254.05876	2.0
259.07590	2.8
260.08350	2.1
261.09219	4.1
262.09796	2.4
263.07156	2.6
263.10681	7.3
264.07745	7.7
265.08411	3.3
265.10800	10.4
267.06625	2.7
269.08112	7.1
271.09683	4.5
273.09198	1.6
275.07028	4.2
276.07855	7.3
277.08643	4.3
279.10153	7.9
281.08167	1.5
282.08789	2.7
289.08508	2.1
290.09399	3.9
291.10162	12.3
292.07437	2.5
293.07977	7.5
295.09863	2.0
296.10440	2.4
299.09119	1.7
305.07956	2.7
307.09692	9.1
308.10153	7.0
309.07938	2.4
309.11139	2.2
311.12582	2.1
315.08627	20.7
316.09091	3.2
319.09750	6.3
321.07816	2.0
323.12799	11.2
325.10593	2.7
328.09402	1.9
330.10983	40.1
331.11667	11.0
335.08868	1.7
336.09933	4.0
337.10556	5.8
339.12347	6.0
343.11752	5.7
351.12262	17.6
352.12891	3.5
353.10175	7.1
368.12482	9.6
369.13287	6.6
371.14877	13.7
383.14890	100.0
384.15186	8.0
401.10849	3.0
401.15988	49.4
402.16196	5.5
616.15057	3.6
616.25049	3.2
616.37280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01858	2.5
55.46132	0.8
60.04512	1.2
65.03930	3.2
67.05514	1.0
69.03431	1.3
69.59945	2.4
70.06593	8.1
70.93636	0.7
71.04964	1.1
71.91566	0.7
72.08136	2.9
75.04484	3.6
78.04697	2.7
79.05518	3.8
81.07037	1.3
84.04520	1.2
84.08131	2.7
85.02906	6.0
86.09714	4.1
89.03909	1.4
89.05993	1.2
91.05481	13.7
93.03409	10.5
93.07047	6.2
94.07396	0.7
95.04977	4.2
95.08582	1.5
97.02875	1.8
97.06534	3.5
103.05457	8.8
105.04513	0.7
105.07033	12.4
106.04171	26.2
107.04938	2.4
112.07579	3.9
115.05437	2.5
118.04175	1.8
119.04980	1.4
119.06070	0.9
120.08113	1.2
121.06506	32.6
123.04404	1.2
123.08067	0.8
123.11668	1.2
124.05178	1.0
125.06004	7.4
127.03914	1.0
129.10205	2.0
131.04915	3.4
133.06496	10.4
134.03632	6.0
135.04431	1.5
137.05971	4.2
138.06731	2.1
139.07539	2.8
140.07071	1.9
145.04907	1.5
145.06476	0.7
147.04465	0.8
148.05203	3.3
149.05980	45.7
150.06346	1.3
151.03868	1.1
151.07556	2.0
152.08351	1.2
152.56430	0.7
153.05484	2.2
153.09090	11.0
161.05978	23.5
162.06293	0.9
163.03885	0.9
163.07567	4.2
166.06241	2.2
167.07051	4.6
177.05473	24.2
177.07013	1.4
178.05855	1.3
179.07071	1.1
181.05035	1.0
181.06897	1.3
181.08595	20.7
181.10158	1.6
191.07033	24.6
192.07294	0.9
193.08606	24.0
194.08948	1.2
195.06467	0.9
209.08087	100.0
210.08438	3.6
243.15932	0.9
262.76337	0.7
295.09607	1.7
296.10449	0.7
301.10751	1.4
312.09863	1.0
315.12256	1.0
327.12296	4.2
333.13287	10.5
383.14999	1.7
387.14322	1.8
389.15854	1.4
391.17374	1.0
401.15903	2.6
419.16830	1.4
617.18323	1.2
617.27924	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	617.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01861	0.4
55.05511	0.9
57.03441	0.8
57.07075	0.2
57.80083	0.2
59.04966	0.2
61.02911	0.7
61.54078	0.2
63.46980	0.2
65.03910	0.5
67.01845	0.6
67.05503	1.1
68.99772	0.6
69.03431	2.3
69.07055	0.8
71.04960	0.3
71.30662	0.2
73.02921	4.7
79.05508	1.6
81.03387	0.7
81.07066	2.0
82.07429	0.2
83.04964	0.8
83.08598	0.4
85.02906	1.5
85.06519	0.3
87.04467	0.3
89.03933	0.2
91.05482	1.8
93.07050	1.8
95.04969	1.8
95.08609	3.5
97.02892	1.7
97.06493	0.4
99.04443	0.3
103.05469	0.3
105.07031	2.8
107.04929	0.6
107.08595	2.2
109.02884	0.9
109.06528	0.6
109.10167	1.5
111.04430	1.1
115.03917	0.7
115.05487	0.2
117.07002	0.7
119.08580	4.6
121.06499	0.4
121.10128	1.3
123.08091	0.5
123.11704	0.4
125.06033	0.2
125.09615	0.5
127.03931	3.4
128.06190	0.3
129.06995	0.5
131.04866	0.2
131.08569	2.2
133.06450	0.3
133.10138	1.9
135.04431	1.9
135.08029	0.5
135.11684	0.6
137.02303	0.4
137.09596	0.2
139.03905	2.5
140.04720	0.2
141.05450	1.3
141.06450	0.2
141.06972	0.2
142.07759	0.5
143.08588	1.4
144.09204	0.2
145.04887	0.2
145.10121	3.0
147.08034	0.6
147.11708	1.2
149.09634	0.6
149.13231	0.5
153.01826	6.0
155.03397	6.9
155.08528	0.2
156.03789	0.3
156.09247	0.3
157.10127	1.1
159.08061	0.3
159.11702	1.7
161.02330	0.4
161.05965	0.5
161.09616	0.3
161.13249	0.8
163.07564	0.4
163.14853	0.4
165.09158	0.2
169.04941	1.5
169.10135	0.5
170.05746	26.3
171.02887	0.6
171.06482	1.5
171.11761	1.0
173.09523	0.2
173.13278	1.2
175.11182	0.3
175.14890	0.9
177.16389	0.2
179.03523	0.3
183.11774	0.6
185.13225	0.9
187.11246	0.4
187.14816	3.1
189.12784	0.4
189.16374	0.9
191.06998	0.8
192.07462	0.3
195.11739	0.4
197.13344	0.3
199.14789	0.9
201.05499	0.2
201.16368	1.3
203.03441	0.4
203.14323	1.9
203.17992	0.2
205.15900	0.7
207.11768	0.2
207.13936	0.3
211.14706	0.3
213.05450	0.3
213.16359	1.2
215.14403	0.8
215.17989	0.4
217.15849	0.6
223.14720	0.2
225.16393	0.2
227.17947	0.5
229.04942	0.9
229.15909	0.4
231.17349	0.5
233.15303	0.3
237.16469	0.2
239.18027	0.2
241.04977	0.8
245.18784	0.2
247.16931	0.3
253.19730	0.2
255.17656	0.3
257.04474	7.6
258.05231	6.7
259.05960	0.4
269.04532	0.6
271.05875	0.3
277.19040	0.2
285.03964	0.5
286.04715	11.4
287.05493	100.0
288.05832	5.2
357.37888	0.2
362.04007	1.1
363.04797	0.3
377.06415	1.2
395.07431	0.2
403.29956	0.5
405.06284	0.6
405.31628	0.3
421.30963	0.7
423.07047	1.8
423.32468	0.4
424.07523	0.2
437.08694	6.9
438.09198	0.9
439.32034	0.3
449.10861	2.8
449.30612	0.6
455.09747	17.1
455.31412	0.4
456.09982	1.2
467.31647	0.8
485.32547	0.4
599.36151	0.2
617.14954	23.0
617.36700	4.7
618.15192	2.5
618.36841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44857	0.3
65.03909	0.3
66.58921	0.3
67.01860	0.5
68.99791	0.9
70.06575	0.9
70.22119	0.3
71.31072	0.3
77.78246	0.3
81.03380	0.4
83.04974	0.3
85.02867	0.5
89.16806	0.4
95.08594	0.4
102.98434	0.3
107.04975	0.3
109.02832	1.0
111.04457	2.1
113.06004	0.4
119.08527	0.4
126.03115	0.6
127.03939	4.4
133.49321	0.3
135.04373	1.4
137.02390	0.4
139.03909	5.6
141.05481	2.0
153.00676	0.5
153.01843	7.2
155.03392	12.6
161.02289	0.7
167.07024	0.4
169.05005	3.3
170.05750	39.8
171.02852	0.5
171.06453	2.7
203.03407	1.5
229.04941	2.2
241.04932	0.4
243.92783	0.3
257.04459	23.0
258.05222	18.6
259.05817	1.3
270.05017	0.4
285.03937	1.4
286.04721	33.2
287.05493	94.9
288.05759	4.6
306.45963	0.4
363.05307	0.5
423.07217	2.0
437.08514	1.2
443.00861	0.4
449.10757	0.6
455.09738	100.0
456.10071	9.7
477.97354	0.4
617.14832	3.9
618.15076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46165	0.3
56.05033	0.4
57.05814	0.4
58.68541	0.3
69.07069	9.3
70.06600	2.6
71.31298	0.6
72.08153	1.2
78.12621	0.4
84.04515	0.5
84.08163	1.2
86.09706	100.0
87.10021	2.0
97.02913	0.3
120.08040	0.4
129.10246	0.5
132.10213	2.3
167.07074	0.8
191.86761	0.4
199.18155	1.0
223.38736	0.4
245.18604	36.9
246.18849	2.1
384.15176	0.7
520.62524	0.4
617.35522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.7
58.14661	0.4
67.05476	0.4
68.30508	0.4
69.07040	0.9
69.13132	1.8
69.13562	1.6
70.70120	0.4
81.07014	1.5
85.02896	0.5
95.08578	1.1
98.22560	0.5
105.07047	0.6
109.10140	0.5
121.10091	0.7
168.61629	0.4
185.04221	0.9
203.05281	2.1
223.85378	0.4
227.05142	0.9
229.03123	1.1
245.06351	7.6
271.04083	0.6
287.05438	0.4
289.05295	58.2
290.05664	2.1
308.96274	0.5
351.28687	21.2
352.28995	1.8
369.29782	7.9
370.29913	0.5
531.35059	1.1
573.36060	12.1
574.36407	1.1
599.33911	4.2
600.34601	0.6
617.35095	100.0
618.35461	11.9
637.87567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3507
Annotation	Cussovantoside C
Peak:m/z	Relative Intensity
56.47593	0.6
63.50399	0.5
65.03934	0.6
67.05502	1.1
69.03426	0.7
69.07062	0.7
69.81541	1.7
71.39452	0.5
81.07048	1.7
85.02903	0.6
93.07046	1.0
93.94706	0.6
95.04961	0.5
95.08614	1.9
105.07054	0.8
107.08613	1.0
119.08601	0.7
121.10076	0.6
131.08586	0.8
139.83727	0.7
145.10187	0.8
147.11696	0.8
157.10114	0.7
185.04248	0.7
227.05293	1.2
245.06389	1.0
275.66016	0.6
289.05334	2.2
311.05539	0.9
351.28894	2.9
369.29709	2.0
423.16922	0.6
457.25858	0.7
495.32913	2.7
513.33948	5.5
531.35065	5.1
537.33832	4.7
555.35004	12.5
556.35138	0.9
573.36121	20.5
574.36511	2.1
581.33154	7.4
585.14948	1.3
599.34021	31.4
600.34442	3.3
617.35101	100.0
618.35358	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86776	1.2
53.03947	2.1
55.01873	3.5
55.05510	7.3
57.03439	12.1
57.07078	2.3
59.05001	1.5
61.02928	10.9
65.03952	2.4
67.05507	19.5
69.03432	24.1
69.07070	10.7
70.46507	2.2
71.01364	3.4
73.02919	100.0
77.03973	1.2
79.05493	17.1
81.03415	3.9
81.07059	33.2
81.07523	2.0
83.04984	5.8
83.08631	4.2
85.02904	10.8
87.04473	2.8
91.04964	0.7
91.05482	28.0
93.07047	36.0
95.04971	29.7
95.08608	61.0
96.08928	2.2
97.02897	22.2
97.06516	6.1
97.10200	1.7
98.40768	1.2
99.04460	3.5
103.05493	2.2
103.74937	1.2
105.07032	46.2
107.04942	1.6
107.08599	35.0
109.06518	8.9
109.07111	1.0
109.10168	18.4
111.04475	1.3
111.08066	1.8
115.03922	13.0
115.05486	3.4
116.06203	1.2
117.07006	10.0
119.08588	96.9
120.08906	3.1
121.06534	8.5
121.10146	29.8
123.08074	7.6
123.11679	5.9
125.09637	1.4
128.06212	3.7
129.07031	8.1
130.07848	1.5
131.08571	36.1
133.05016	1.6
133.06532	3.4
133.08618	1.4
133.10126	33.3
135.08078	6.5
135.11697	12.5
137.06004	2.4
137.09650	5.0
139.07564	1.2
141.07030	3.4
142.07797	5.4
143.08582	17.8
144.09239	1.9
145.06522	3.1
145.10129	51.0
146.10524	1.4
147.08047	10.3
147.11696	15.9
148.12045	1.4
149.05962	2.0
149.09596	8.1
149.13278	8.5
151.11160	2.0
155.08546	9.0
156.09360	5.6
157.10132	22.9
158.10854	2.7
159.08101	4.8
159.11700	28.1
160.12146	1.1
161.09634	7.1
161.13258	17.5
163.07562	2.8
163.11205	2.3
163.14818	7.7
165.09126	1.9
165.12828	1.3
167.07199	1.3
167.08588	1.7
169.10141	9.6
170.10794	3.2
171.11684	13.4
172.12296	1.8
173.09639	3.1
173.13268	23.3
174.13618	1.2
175.11226	4.7
175.14819	18.9
175.16202	1.7
177.09196	1.7
177.16405	6.6
177.24294	1.1
179.14316	3.2
181.10173	3.5
182.10895	2.2
183.11707	8.3
184.12497	1.6
185.09674	1.8
185.13257	15.1
187.14824	67.8
188.15189	3.7
189.12740	9.1
189.16391	18.7
191.10699	1.3
191.14342	5.4
191.18027	1.3
193.15863	1.2
195.11746	2.9
197.13251	9.3
199.14810	18.7
200.15501	1.3
201.12733	2.6
201.16391	27.3
202.16861	1.5
203.14323	42.2
203.17995	4.9
204.14743	2.4
205.12335	1.8
205.15913	14.5
207.11736	1.8
207.13744	1.3
209.13327	2.9
211.14848	7.7
213.12807	3.4
213.16389	18.2
215.14307	14.9
215.17781	5.4
216.14775	1.5
217.15875	15.0
219.17441	3.3
221.13371	2.8
221.15463	4.4
223.14923	3.7
225.16446	5.2
227.14406	1.8
227.17917	8.7
229.15866	14.2
229.19485	1.8
231.13930	2.0
231.17427	11.1
233.15335	9.7
235.14874	2.1
235.17079	1.5
237.16338	5.5
239.18022	4.5
241.15913	1.3
241.19576	3.9
243.11432	3.2
243.17534	2.2
245.15443	4.4
247.16907	5.5
251.18021	3.4
253.15897	2.1
253.19595	4.5
255.11320	2.5
255.17513	2.5
255.20918	2.0
257.19012	2.8
259.14484	2.1
259.16953	3.4
263.17957	1.8
265.19489	2.1
267.21085	3.6
269.19196	2.0
269.22662	2.2
271.20541	1.5
272.16986	1.2
279.21054	2.1
281.19220	1.6
281.22653	2.1
283.20792	1.4
285.12415	2.5
287.05594	5.4
287.14063	3.7
295.20663	1.8
299.19894	1.6
303.13495	5.0
307.24203	1.8
315.13342	11.4
317.15253	1.6
319.24222	1.5
325.21396	1.5
347.27359	1.7
353.24875	1.3
365.28378	2.0
367.26443	2.3
368.36926	1.2
385.28818	3.9
387.30457	1.6
391.16711	1.8
391.30252	2.7
393.31894	2.1
403.29977	13.7
405.31534	5.6
411.28931	2.0
413.28253	1.3
421.31064	18.5
423.32825	6.8
431.29529	5.4
437.30539	1.7
439.32080	6.0
449.30563	16.1
450.30829	1.6
455.31549	11.3
456.31982	1.8
467.31616	14.5
485.32440	10.2
569.34656	1.9
581.34991	1.9
599.35822	11.6
600.36035	1.4
617.36810	94.2
618.37097	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	617.514
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
53.03953	3.4
55.01868	1.8
55.05274	1.6
55.05516	23.5
57.03435	6.1
57.07074	10.7
65.03952	2.3
67.05508	49.8
67.37924	1.1
68.05844	1.7
69.07072	27.5
69.88526	4.7
70.07385	1.5
71.04990	2.0
71.08629	5.9
79.05495	28.2
81.07060	65.5
82.07391	2.4
83.08622	16.8
85.06543	2.6
85.10178	2.7
87.04469	4.4
91.05478	15.6
93.07043	41.7
94.07394	1.5
95.04990	3.1
95.08609	48.6
96.08968	1.6
97.06526	6.0
97.10181	8.8
99.08084	2.0
105.04557	1.7
105.07039	15.3
107.08601	22.5
109.10167	22.3
111.08079	2.1
111.11723	2.8
117.07035	3.8
119.00735	1.3
119.08584	17.2
121.10152	18.5
123.11727	7.6
125.09603	1.4
131.08594	8.8
133.10130	11.1
135.11681	12.3
137.13258	5.0
140.57262	1.1
143.08534	1.8
145.10146	8.9
147.11707	5.6
149.13268	5.7
151.14854	2.8
157.10129	1.8
159.11668	6.9
161.13304	4.7
163.11244	1.7
163.14842	5.1
171.11623	2.0
173.13281	3.6
175.14897	4.3
177.16412	3.9
187.14900	2.9
189.16408	2.2
191.18031	1.4
201.16393	1.6
207.21146	1.5
215.18013	1.2
219.21112	1.5
230.94540	1.3
233.19150	2.2
233.22493	1.2
243.21049	1.8
261.22192	6.3
263.23825	1.4
275.23764	1.7
279.22925	1.7
289.25089	1.9
303.26965	2.6
311.26016	2.4
335.25873	7.1
337.27509	3.8
339.29083	7.0
391.31732	1.6
519.40540	2.9
525.46674	6.3
543.47656	5.8
599.50330	18.7
600.51331	2.3
617.51343	100.0
618.42096	1.9
618.51556	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.05516	15.9
56.96568	4.2
59.04998	2.0
60.08170	5.9
67.05519	13.2
69.03444	2.7
69.07073	9.9
69.77805	8.6
71.07367	4.6
79.05490	12.4
80.06242	2.7
81.07063	19.3
83.04991	5.9
83.08624	17.7
86.09709	14.2
87.04491	3.1
91.05487	17.8
93.07029	20.9
95.04980	10.4
95.08612	10.0
97.06553	5.9
102.92657	2.2
104.10748	100.0
105.07040	33.7
107.08600	18.1
107.26041	2.0
109.06519	3.7
109.10147	10.8
110.50154	2.0
112.26056	2.0
113.09663	2.9
115.05426	3.8
117.07002	6.2
119.08582	23.4
121.06558	3.4
121.10159	13.3
123.08089	6.2
125.09641	5.6
128.06262	4.9
129.07013	6.8
130.07826	2.9
131.08585	10.1
133.10107	15.2
135.08066	4.0
135.11700	3.1
135.45958	2.5
136.93156	3.1
139.11217	5.1
141.07027	3.2
142.07780	6.6
143.08563	16.2
144.09265	4.6
145.06445	2.8
145.10104	20.2
147.08098	3.3
147.11716	5.9
149.09647	6.7
154.94171	2.9
155.08569	7.5
155.10652	2.9
156.09389	6.3
157.10150	16.8
159.08031	4.6
159.11685	12.3
167.08568	3.5
167.10721	4.4
169.10123	9.3
171.11670	9.2
172.95277	4.8
173.13248	4.3
175.11130	3.2
179.08499	2.8
180.95758	5.0
181.10165	5.8
181.12292	6.7
183.11688	10.2
184.12503	2.2
185.13287	5.6
191.14197	2.7
193.10181	4.8
194.10982	3.3
195.11758	7.7
196.12564	4.4
197.13268	11.7
198.96844	13.3
199.14894	4.6
207.11755	4.1
208.12387	2.6
209.13272	7.3
211.14870	3.6
213.16452	3.4
215.14331	5.1
216.97906	10.7
220.12415	2.6
221.13300	4.7
221.15398	5.8
223.14926	5.7
225.12912	2.9
225.14781	3.6
227.14265	3.4
231.11568	2.8
233.13321	3.3
233.15424	11.8
235.14854	3.9
237.16516	5.3
247.14832	4.2
251.18034	2.8
255.17325	10.1
270.64749	2.2
283.01889	24.3
294.62302	2.4
319.19617	8.7
337.20599	12.1
337.27341	6.1
473.20084	3.0
499.21371	2.8
502.25766	8.6
558.28906	13.4
618.30707	6.2
618.42249	3.3
619.28625	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	619.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12191	0.2
50.39292	0.2
54.49550	0.3
56.96303	0.5
56.96568	8.4
66.37617	0.3
68.96540	0.4
69.39651	1.8
71.95242	1.0
84.96044	1.4
85.02937	0.4
97.02904	0.4
98.97584	100.0
99.97907	0.7
110.97571	1.8
116.98623	40.2
117.98955	0.3
122.57264	0.3
128.98611	2.2
131.00191	0.6
134.99654	9.2
140.00206	0.9
140.98552	0.3
143.00179	1.0
146.99637	1.0
147.01411	0.3
152.98592	0.7
153.00763	0.8
154.93332	0.6
158.99657	54.8
160.00002	0.8
161.01228	1.2
161.02907	0.3
162.99141	0.4
167.00235	0.3
170.99672	1.0
172.94241	0.4
177.00713	52.8
178.01062	0.8
189.00706	0.8
189.07658	0.3
190.95325	0.4
195.01768	3.4
196.94289	0.4
200.02328	1.1
201.00726	0.7
201.04367	1.3
201.36441	0.3
205.03648	0.3
208.96501	0.3
210.99217	1.3
214.95378	1.8
219.01776	28.1
220.02129	0.6
229.00223	2.6
232.96381	1.7
237.02794	4.5
243.05334	2.2
244.96509	0.5
246.91138	0.5
247.01372	0.6
249.80238	0.3
250.97649	0.4
270.91238	0.8
271.01263	0.7
274.68576	0.3
285.06479	0.8
288.92130	1.4
294.91220	1.1
303.07507	10.7
304.07996	0.4
306.93253	0.5
312.92191	3.6
321.08572	14.2
322.08859	0.7
330.93250	7.8
348.94290	2.0
354.93268	0.6
355.03424	1.1
359.94870	0.3
372.94376	1.8
373.04330	3.0
373.08463	0.4
384.94189	0.5
390.95499	0.5
391.05557	0.4
402.95419	0.3
406.07208	0.5
414.95450	0.8
415.05200	1.5
457.10345	2.5
487.09415	0.7
499.01056	0.6
517.02167	8.5
518.02490	0.4
535.03186	1.2
577.04315	1.0
619.15442	37.6
620.15759	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	619.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49026	13.7
55.05511	58.7
60.51352	13.0
62.86106	10.7
70.79345	23.8
70.79674	14.2
83.04978	100.0
87.04449	11.3
99.04454	37.2
99.21785	10.0
105.03391	12.1
126.71375	12.4
127.03896	19.3
167.71394	14.6
194.38266	13.9
207.10210	32.3
222.06912	14.9
253.08598	13.5
267.06384	16.9
279.06406	13.5
293.07916	15.9
294.08853	16.2
297.07495	45.0
308.06964	16.1
313.07236	16.8
323.09109	85.0
324.09839	14.2
325.07123	19.6
326.08115	18.7
340.09274	14.7
353.10300	36.1
355.11826	48.2
367.11731	28.0
369.13373	17.1
395.45621	15.0
511.04416	14.3
532.83228	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2359
Annotation	5,5'-biporphyrin
Peak:m/z	Relative Intensity
55.05512	0.3
67.05508	0.4
69.03432	0.4
69.12428	0.6
69.12836	1.7
69.20947	0.3
70.06599	0.5
81.07067	0.5
85.02927	0.5
91.05518	0.3
95.04970	0.3
98.23369	0.6
105.07063	0.6
107.08649	0.4
109.10172	0.3
111.00574	0.6
119.08603	0.6
133.10220	0.3
137.05995	0.3
153.78285	0.2
161.06097	0.4
165.09146	0.4
169.04697	0.4
184.05008	0.4
185.05936	0.3
215.06868	1.0
217.04817	0.9
232.07059	5.1
233.07748	1.6
241.84250	0.3
265.10565	1.4
287.05536	0.7
307.11633	0.4
349.12656	0.5
391.13464	0.3
393.15100	0.4
409.14670	5.7
410.15051	0.4
557.23718	0.7
559.21289	0.6
601.23352	0.6
619.23541	100.0
620.23914	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	619.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.05523	11.4
56.60973	1.9
57.03442	25.6
57.07076	3.4
59.04995	2.5
61.02923	9.0
65.03963	2.5
67.05515	15.1
69.03430	15.4
69.07071	16.2
70.06581	4.4
71.01353	2.9
71.04990	2.9
71.31543	3.0
71.31924	2.3
72.88422	1.8
73.02920	64.3
79.05493	15.4
81.03418	3.0
81.07059	25.9
83.05012	2.9
83.08627	12.4
85.02908	11.5
86.79018	1.9
87.15996	2.0
91.05481	21.3
91.85878	2.3
93.07040	30.8
95.05003	3.2
95.08607	56.7
97.02888	17.0
97.06514	3.5
97.10183	3.5
102.31454	1.8
105.04617	2.3
105.07033	45.7
107.08592	65.7
108.99471	2.2
109.06535	3.5
109.10164	36.3
109.98301	2.4
111.08090	4.0
111.11777	2.5
115.03938	21.4
115.05427	2.6
117.06995	11.9
119.08582	82.5
121.06525	3.5
121.10151	43.1
123.08118	3.1
123.11717	17.8
124.24811	2.2
125.09642	5.3
127.03876	2.2
128.06245	3.8
129.07027	5.8
130.07794	3.8
131.08565	39.8
133.10130	60.0
135.08064	8.4
135.11707	23.6
136.07622	2.0
137.09628	4.0
137.13274	5.2
141.07008	2.7
142.07782	5.1
143.08574	18.3
144.09343	3.4
145.10118	94.1
146.10526	3.9
147.04436	2.6
147.11679	36.4
149.05936	2.5
149.09625	3.0
149.13258	11.2
151.11171	7.2
155.08549	5.5
156.09367	6.6
157.10136	34.8
158.10875	3.2
159.08131	2.7
159.11690	68.4
160.12112	3.2
161.05954	3.1
161.09595	4.6
161.13261	27.6
163.07599	5.6
163.11189	8.1
163.14879	9.4
165.09172	2.8
168.09390	3.4
169.10121	7.3
170.10918	9.5
171.11673	30.8
172.12416	5.6
173.13255	44.3
173.14632	3.6
175.11165	3.9
175.14819	26.0
177.12784	4.4
177.16393	12.8
179.14362	2.9
182.10867	2.7
183.11676	31.6
184.12479	3.1
185.09584	3.7
185.13266	49.6
186.13869	2.5
187.14825	100.0
188.15164	3.7
189.09171	3.7
189.12762	3.2
189.16402	28.0
190.13504	2.5
191.14331	4.6
191.17938	5.8
193.15884	4.7
195.11760	3.7
196.00085	2.3
197.13319	12.9
199.11086	2.9
199.14822	48.2
201.16385	89.9
202.16696	4.7
203.14394	11.3
203.16287	2.5
203.17918	15.5
205.12273	3.2
205.15869	40.3
207.13882	3.3
207.17471	10.9
209.13315	6.1
211.14882	9.1
213.12872	4.5
213.16362	26.8
213.90709	2.3
215.14360	9.0
215.17920	19.6
217.12215	2.9
217.15907	7.9
217.19527	5.3
219.17375	13.1
221.15335	3.5
223.14845	3.7
223.17009	4.5
225.16365	7.4
227.14236	5.0
227.17929	9.9
229.15976	5.3
229.19630	3.6
231.13750	5.7
231.17525	5.5
233.15395	5.0
233.19040	4.6
237.16341	3.6
239.17978	5.1
241.19551	5.7
243.20932	2.6
245.15442	21.9
245.19112	3.5
247.16960	2.9
253.19556	7.4
255.21118	9.0
259.16891	5.6
265.19739	2.8
267.21051	7.8
269.22647	5.0
283.20392	3.6
299.20087	2.7
301.21625	6.6
313.21619	6.1
387.30362	6.5
389.31961	11.2
405.31491	31.1
406.31796	2.7
407.33066	23.3
408.33258	3.0
415.30261	3.8
421.31094	3.6
423.32788	12.6
425.34167	18.3
433.31094	44.7
434.31488	6.8
439.31650	2.4
441.33728	3.3
451.32092	61.2
452.32208	6.2
469.33173	22.2
601.27405	4.3
601.37292	78.0
602.37262	8.6
619.19324	4.5
619.28473	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	620.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33900	0.1
53.03941	0.5
53.49686	0.1
55.01871	0.3
55.05511	0.4
57.03438	0.6
57.07072	1.0
59.04988	0.2
61.02921	0.6
61.04385	0.1
67.05509	0.4
68.99817	0.1
69.03435	2.0
69.07069	0.8
69.34904	0.9
69.95485	0.1
70.04078	100.0
71.01363	0.2
71.03779	0.4
71.04408	0.9
71.04995	0.7
73.02917	0.6
79.05500	0.5
81.03426	1.7
81.07056	0.8
83.01327	0.2
83.04973	0.4
83.08635	0.3
85.02906	6.1
86.06083	0.3
87.04496	0.2
91.03965	0.2
91.05486	0.4
93.07053	0.5
95.04982	0.5
95.08620	0.5
96.08147	0.1
97.02887	3.8
97.06573	0.2
98.72573	0.1
99.04451	0.9
99.08093	4.3
105.07011	0.6
107.08585	0.4
109.02877	3.3
109.03578	0.3
109.06521	0.4
109.10183	0.4
111.04424	0.2
111.08088	0.2
113.01654	0.1
113.02451	0.1
115.03944	0.2
116.10757	0.5
117.09120	1.8
117.09849	0.1
119.08610	0.5
121.06552	0.2
121.10172	0.3
123.04415	0.7
123.08071	0.2
123.11781	0.1
125.09638	0.3
127.03915	4.5
129.05539	0.2
131.08545	0.2
133.05000	0.4
133.10162	0.4
140.10710	0.2
143.03479	0.1
143.08574	0.2
143.10715	0.2
145.04942	1.8
145.10101	0.2
147.11740	0.3
149.09608	0.2
159.10207	0.8
159.11620	0.2
163.06076	0.6
165.09218	0.3
179.05516	0.2
183.10168	0.9
187.14905	0.1
189.12831	0.2
195.10170	10.9
196.10574	0.4
225.11217	5.2
226.11609	0.3
227.08296	1.1
232.09315	0.3
243.12263	1.9
261.13394	0.4
271.05988	0.8
287.05469	0.3
288.05920	0.2
301.21616	0.2
319.22678	0.2
320.59302	0.1
344.24420	0.2
360.23831	0.2
522.29053	0.2
566.40533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.7
55.05505	5.8
57.03435	21.2
61.02927	7.8
62.32578	1.2
65.53330	1.4
67.05501	1.9
69.03432	28.3
69.30823	8.6
71.01348	4.3
71.04990	28.3
73.02917	38.4
75.04488	7.6
79.05492	1.7
81.03416	5.2
83.04979	37.4
84.21954	1.5
85.02901	100.0
86.03283	1.3
87.04482	2.7
95.04985	3.2
95.08628	1.3
97.02888	68.8
97.06512	1.5
99.04474	3.8
101.06023	1.3
103.03954	2.6
105.07058	1.9
109.02912	5.0
109.06526	1.8
111.04444	26.3
113.02410	2.7
115.03925	34.3
119.08594	2.8
121.05742	1.2
121.06561	2.5
123.04410	1.5
125.05965	1.4
127.03908	15.2
129.05476	38.2
133.04953	11.4
139.03920	3.7
145.04980	10.6
145.10085	1.8
147.06528	26.5
147.11661	2.6
149.05882	1.5
159.11673	1.3
161.06004	1.5
163.06047	5.0
163.07359	1.4
165.07626	2.4
169.05005	4.8
171.06494	2.4
179.07054	1.8
183.06473	1.9
187.14859	1.8
207.06551	2.4
225.07582	16.5
235.13330	2.9
237.07628	6.9
243.08617	8.1
253.14304	3.4
255.08650	9.7
261.09738	1.8
271.06027	2.7
273.09698	13.4
279.10809	6.2
287.05646	1.5
309.11911	9.0
620.23859	9.1
640.16803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01880	2.4
61.02916	4.6
67.05492	4.4
69.21661	12.4
70.06586	4.4
72.08149	3.6
74.06092	2.2
79.05496	3.9
81.03378	1.8
83.04963	4.8
84.08164	2.3
85.02893	9.8
91.05478	5.5
95.04964	53.0
98.23320	4.0
103.05467	8.5
105.04504	4.5
107.04936	4.3
111.04467	2.7
116.93354	2.0
118.91273	2.2
119.04938	7.5
121.08609	2.0
123.04432	69.8
129.10239	3.2
131.04922	19.6
133.02856	10.3
135.04404	2.6
137.06010	13.5
137.17026	2.2
139.07565	3.3
140.04697	21.6
147.04417	7.4
149.05933	3.0
151.07541	4.0
155.07030	44.5
155.08208	3.7
155.25444	1.9
163.07541	16.0
165.05531	6.3
167.07043	51.8
167.08374	3.7
171.06522	5.1
177.05447	4.8
179.07079	12.9
183.06531	100.0
189.07692	3.3
193.08650	3.3
195.06522	14.8
205.08609	2.4
207.06560	2.2
209.08154	3.8
225.07578	56.1
226.07819	2.2
227.09251	2.5
233.08025	4.7
243.08681	9.4
355.11972	2.6
373.12933	3.7
375.14383	3.4
387.14575	3.3
520.07458	2.2
614.25867	2.5
621.21344	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.4
55.01876	14.7
57.03416	7.6
62.69795	6.3
67.05511	40.3
69.03433	43.4
69.07061	8.3
71.04987	11.7
71.30923	9.7
73.02894	6.5
79.05486	20.4
81.03412	27.4
81.07063	45.9
83.08651	6.5
85.02906	19.1
91.05470	20.3
93.07034	35.8
95.08602	27.6
97.02896	25.7
99.04443	57.6
104.91879	6.1
105.07030	13.5
107.08579	15.6
109.02888	28.4
109.10182	19.4
111.04452	14.2
117.07014	8.6
121.10158	17.5
123.11692	10.6
127.03926	100.0
131.08568	11.6
133.10176	11.4
135.11717	12.9
145.04967	19.5
145.10193	8.2
159.11766	7.9
161.13220	9.0
193.04823	7.6
204.14778	6.9
228.87535	6.1
261.22092	22.4
305.02966	7.2
361.33499	8.0
423.27316	28.2
621.15460	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	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18538	7.8
51.75783	6.9
53.03931	9.8
53.42878	8.6
55.01871	17.9
55.05511	14.6
57.03439	14.2
63.88675	6.5
66.97621	6.6
67.05506	52.8
69.03436	70.2
69.07059	26.0
69.59917	14.8
69.60300	21.4
73.02877	13.9
77.94920	8.2
79.05495	38.1
81.03420	28.1
81.07063	54.9
85.02911	100.0
91.05480	42.3
93.07034	58.7
93.62422	9.0
95.04977	20.7
95.08611	44.3
97.02889	32.8
97.06494	9.3
98.23354	7.8
99.04466	13.7
101.02433	9.7
105.07049	45.5
107.08585	47.7
109.06512	8.2
109.10143	27.4
111.04405	10.5
111.08113	8.5
117.06995	20.1
119.08619	28.8
121.06489	9.3
121.10130	44.8
123.08077	10.2
123.11658	8.8
127.03938	59.8
129.06982	13.7
131.08585	33.3
133.10109	21.9
135.11676	18.5
135.84839	12.1
143.08582	7.8
145.04955	30.8
145.10121	31.3
147.11652	19.8
149.02348	9.2
155.08591	7.1
159.11748	28.2
161.13275	13.6
163.05606	7.2
171.11691	11.3
173.13347	19.8
200.20044	8.3
219.25941	9.8
245.35823	7.9
259.20624	11.8
301.21741	9.8
324.50287	7.9
351.23419	10.8
369.24164	37.5
387.25333	31.7
405.26303	23.0
423.27316	17.2
561.24225	11.7
577.93884	9.0
618.28925	8.1
620.28210	11.6
641.71460	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	621.1811
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.1
55.01875	0.1
55.05499	0.2
57.03434	0.3
61.02932	0.1
65.03956	0.1
65.78234	0.1
67.01858	0.6
67.05492	0.2
68.99477	0.1
68.99817	0.3
69.03430	0.5
69.12843	0.8
71.05000	1.7
71.22946	0.1
75.04519	0.1
81.03435	0.4
83.04984	0.3
85.02911	2.6
91.05467	0.3
93.07040	0.1
95.05001	0.1
95.08601	0.1
97.02896	0.3
97.06538	0.1
99.04478	0.2
103.03951	0.3
105.07037	0.1
109.02882	0.5
111.04465	0.2
116.10768	0.1
119.04943	1.8
121.02866	0.6
121.10181	0.1
123.04429	0.1
123.07999	0.1
125.02325	0.1
127.03912	0.7
129.01839	0.2
129.05502	0.8
139.68506	0.1
145.02837	0.5
145.04977	0.1
145.06612	0.1
153.01831	5.0
154.02271	0.1
155.04959	0.1
163.03918	0.4
165.09145	0.1
169.05005	0.1
171.02916	0.5
187.06024	0.4
202.06213	0.1
203.07143	0.2
205.07095	0.3
214.27585	0.1
225.05513	0.3
229.04929	0.4
237.07521	0.2
243.06631	0.3
247.06061	0.1
255.08878	0.1
271.06012	100.0
272.06351	5.6
313.07095	0.1
344.24521	0.1
386.93015	0.1
438.73929	0.1
443.68143	0.1
457.11993	0.1
457.72626	0.1
475.12363	0.6
579.52435	0.1
621.18005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31096	2.0
95.56137	1.1
124.51250	1.1
130.93617	1.1
137.06102	1.1
147.15869	1.2
165.09253	1.2
177.05513	1.0
193.67577	1.0
203.06853	1.2
212.82312	1.1
233.99956	1.1
357.13531	1.0
378.65442	1.3
395.11295	3.3
410.13507	11.6
411.13678	1.9
429.69989	1.0
466.18811	1.0
600.80493	1.1
621.23059	100.0
622.23541	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68032	1.0
62.79537	0.8
63.80881	0.8
67.24374	0.9
71.03640	1.0
71.32227	1.1
71.46776	0.9
77.63689	0.9
80.45977	1.0
99.97067	0.9
105.26588	1.0
116.19202	1.0
197.59322	1.0
225.13905	1.7
233.10771	1.3
242.44370	1.1
284.12924	1.1
374.15775	1.2
375.16110	1.6
387.15836	1.4
388.17136	1.3
389.17413	5.2
390.18677	2.9
401.17892	2.6
402.18903	1.2
403.19266	6.3
404.19971	4.2
405.20767	2.6
416.15945	2.3
417.17020	5.2
417.21161	4.2
419.22391	10.7
420.22668	1.6
430.17783	2.3
431.18027	7.7
432.19427	3.2
433.20206	1.2
441.17545	1.1
443.19077	2.1
445.20273	7.8
446.20862	7.5
447.21783	13.9
447.27454	1.6
459.17191	1.9
459.22620	2.4
460.23190	1.5
461.19876	1.8
473.19363	1.5
474.20328	10.7
475.21326	19.7
476.21576	2.7
487.21344	6.8
488.12894	1.1
488.21405	2.6
501.23151	4.2
529.22510	2.2
531.37073	1.4
533.25555	13.9
546.22443	1.1
561.24957	100.0
562.25531	11.2
589.24170	3.2
590.25366	1.1
593.27734	4.5
621.27087	99.5
622.27179	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.07056	0.2
58.90618	0.2
62.14837	0.2
68.88918	0.2
72.85194	0.2
79.05482	0.2
81.07059	0.3
90.35548	0.2
93.07015	0.2
95.08604	0.3
110.53027	0.2
115.09675	0.2
119.08618	0.1
123.00117	0.2
195.09187	0.2
201.97447	0.2
221.10741	0.3
222.11688	0.2
235.12376	0.2
237.10184	0.2
247.12204	0.2
273.13861	0.2
310.13400	0.3
359.12869	0.2
361.14783	0.3
362.16763	0.3
373.14514	0.5
374.15488	0.3
375.16190	0.8
376.17172	0.5
386.15894	0.3
387.16248	0.7
388.16876	1.0
389.17700	2.5
390.18396	1.2
391.19012	1.1
401.18015	0.8
402.14011	0.3
402.18851	1.2
403.19336	3.3
404.15280	0.1
404.20004	2.5
405.20737	1.4
413.17767	0.4
414.19174	0.2
415.19891	1.2
416.20657	1.1
417.16980	2.0
417.20956	1.7
418.17017	0.4
418.22336	1.2
419.22427	4.8
420.22943	1.1
427.19220	0.4
429.20850	0.8
430.16959	1.0
430.22385	0.4
431.17783	3.0
431.23074	1.2
432.18515	1.3
433.19391	0.9
433.25134	0.3
441.20792	0.3
442.21744	0.2
443.18268	0.4
444.19894	0.3
445.15988	0.6
445.20688	4.5
446.21005	3.8
447.21765	5.7
448.22369	0.9
449.19910	0.2
458.21002	0.4
459.18277	2.9
459.23151	0.6
460.18860	1.3
461.19473	2.3
472.18314	0.2
473.19666	1.3
473.23972	0.6
474.20386	7.9
475.21222	12.9
476.21808	1.9
477.22708	0.5
478.23462	0.4
487.21320	3.5
488.22012	1.7
490.24060	0.3
491.19922	0.3
491.24979	0.3
501.22961	3.3
502.23761	1.0
503.21054	0.4
505.26596	1.4
518.23602	0.4
519.19745	0.9
521.91345	0.2
529.22345	0.7
532.24451	0.3
533.25635	6.6
534.25769	0.6
546.22858	0.5
547.23218	0.3
561.24976	31.0
562.25323	4.8
562.32843	0.2
565.28162	0.3
589.24457	1.5
593.27960	0.8
620.44043	0.2
621.27051	100.0
622.27429	14.8
649.26294	0.2
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
52.89088	0.5
69.34184	3.6
72.19189	0.6
110.21048	0.6
120.40710	0.5
121.54725	0.6
173.11842	0.6
212.33475	0.6
246.66061	0.5
247.12296	0.6
288.83871	0.5
387.15930	0.9
388.16913	1.8
389.17606	2.5
390.18475	1.6
391.19412	0.6
401.17737	1.3
402.18390	1.5
403.15396	0.9
403.19345	4.2
404.20151	2.9
405.20865	2.5
415.19434	1.0
416.15887	1.3
417.16971	3.3
417.20911	3.3
418.17065	1.1
418.21954	1.1
419.22491	8.0
420.22891	1.1
431.18045	7.2
432.19083	4.2
433.20187	3.8
444.19284	0.8
445.20105	6.9
446.21057	9.6
447.21811	11.7
448.22156	1.9
459.17499	1.2
459.23029	1.1
460.23108	1.1
461.19894	2.0
473.19382	1.8
473.24561	0.9
474.20432	7.8
475.21259	10.0
476.21893	1.1
486.20496	0.7
487.21552	3.5
488.21802	1.8
489.22906	0.7
491.20889	1.9
501.22824	2.3
505.26266	1.0
519.20203	1.1
533.25531	18.4
534.25629	1.9
561.24957	24.8
562.24854	2.6
589.24835	1.0
593.27374	5.0
594.27808	0.8
621.27075	100.0
622.27454	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	621.2704
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05515	1.1
63.11897	0.7
67.05533	0.9
69.07085	0.7
71.31570	0.8
77.57256	0.7
79.05441	0.8
81.07068	1.7
83.08636	0.7
93.07023	1.1
95.08656	1.7
105.07001	1.5
107.08629	1.1
109.10178	0.8
111.29243	0.9
121.10162	0.8
133.10173	1.0
134.70493	0.7
143.08542	0.9
149.09677	0.9
159.11710	0.7
170.19748	0.7
243.49496	0.7
261.46185	0.8
261.56683	0.7
321.69995	0.7
375.16132	1.2
387.15839	1.1
388.17365	0.7
389.17801	3.0
390.18506	1.5
402.19159	1.0
403.19501	4.1
404.19922	2.2
405.20932	2.8
415.19357	1.0
416.15900	1.1
417.16986	2.8
417.21051	2.7
418.17389	1.1
418.22043	0.9
419.22464	5.8
420.22717	1.6
429.17239	1.3
431.18320	7.0
432.19092	3.6
433.20349	1.6
443.18823	1.2
445.20209	6.5
446.21045	5.9
447.21695	11.3
448.22516	1.3
459.17035	1.2
459.22491	2.3
461.19568	1.3
473.19229	1.2
474.20474	6.5
475.21307	8.8
476.22617	0.8
477.23367	0.9
487.21262	3.7
501.22949	2.3
505.26016	1.3
518.23260	0.9
519.19971	0.8
533.25659	13.5
534.25439	1.0
561.24921	21.4
562.25427	2.1
589.23950	1.0
593.27692	4.1
621.27087	100.0
622.27319	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58646	0.5
57.61170	0.5
70.06603	0.8
72.08170	0.7
77.61856	0.5
91.05480	0.9
104.07298	0.4
108.33543	0.5
119.04933	0.6
137.05989	0.6
142.70815	0.5
149.06123	0.5
153.01552	0.5
160.99098	0.9
165.56670	0.5
175.03969	0.6
179.00165	4.8
186.72768	0.5
189.05383	0.6
197.01215	5.3
207.06596	1.9
215.02379	1.3
222.48489	0.5
249.04373	1.6
269.29984	0.5
290.49524	0.6
316.06186	0.6
386.10333	1.8
401.12833	1.2
404.11401	6.1
419.13840	11.0
419.19333	0.5
420.14597	0.6
422.12698	1.5
461.15912	1.5
467.57907	0.6
489.68481	0.6
563.18036	4.9
564.18665	0.6
591.20410	0.7
623.20984	100.0
624.12000	0.9
624.21417	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	623.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10817	0.5
62.31224	0.5
67.05526	0.7
79.05505	1.0
81.07055	1.3
84.28563	0.5
88.26469	0.5
91.05452	0.8
93.07041	1.1
98.22552	1.4
102.86840	0.5
105.07016	0.6
107.08609	0.8
119.08554	0.6
121.10149	0.5
153.52983	0.5
167.07076	0.6
171.11664	0.6
183.09271	0.7
195.09184	0.5
209.10646	1.0
217.09946	0.6
221.10785	1.0
223.12408	1.0
233.10786	0.9
236.12827	0.6
237.10295	0.6
324.14789	0.6
338.13074	0.7
339.13809	0.5
360.15073	0.7
363.16263	1.2
373.15140	0.7
374.16382	0.9
375.16452	1.5
376.17148	1.6
377.17712	4.0
378.18375	1.2
385.15021	0.7
386.15543	1.1
387.16229	1.2
388.17804	1.1
389.17941	1.1
390.18756	1.5
391.15250	0.5
391.19363	4.5
392.19955	3.5
393.20749	2.9
398.16031	0.7
399.16052	1.3
400.16916	1.9
401.17792	4.6
402.18259	2.1
403.19418	2.2
404.15689	0.7
404.20389	0.7
405.16632	1.5
405.20935	2.4
406.21655	0.8
407.22406	4.8
408.22318	0.6
412.17575	0.6
413.17685	3.3
414.18777	2.8
415.19391	6.0
416.20197	2.9
417.16248	0.8
417.20731	2.5
418.17511	0.8
418.22214	0.8
419.18692	2.9
419.23422	0.8
420.19012	0.7
421.20279	2.3
425.17789	1.3
426.18423	0.8
427.19424	1.8
428.20370	3.8
429.21289	5.6
430.22247	2.6
430.81409	0.6
431.18591	1.2
432.19202	0.8
433.15948	1.1
433.20944	1.5
434.16812	0.7
435.22058	2.4
439.19275	1.0
442.17493	1.1
443.17725	1.6
443.22421	4.2
444.19174	5.1
445.19833	3.2
446.21136	1.6
447.17383	4.6
448.18130	2.7
449.19559	1.5
455.18597	0.8
456.19608	1.6
457.20239	2.3
458.21555	2.9
459.18427	2.1
460.18234	0.7
461.19019	3.3
462.20218	3.3
463.20502	4.2
466.20255	0.6
469.16354	0.6
470.17300	0.6
471.22455	9.3
472.18143	1.5
472.22806	1.8
473.18967	5.4
474.20422	3.2
475.16525	1.1
475.22488	4.3
476.17670	1.4
477.19073	0.8
477.22934	0.8
483.21741	0.7
484.18851	1.3
485.19934	4.3
486.20282	4.2
487.20779	1.2
488.22522	1.2
489.23700	7.5
490.19223	5.3
491.19974	4.1
493.22375	1.0
499.21347	17.9
500.22455	3.6
501.23349	6.8
502.20258	1.0
503.20709	6.4
504.20663	0.7
507.24371	2.9
508.24490	1.5
511.21631	1.3
513.19275	2.3
514.19885	1.7
516.21588	1.4
517.22479	13.5
518.23242	2.6
521.21930	0.6
527.21069	4.0
528.21295	1.1
529.22546	10.4
530.22943	1.2
531.20227	0.8
535.23383	4.5
536.24084	1.1
545.21844	55.6
546.22015	5.9
547.26825	1.6
549.24811	1.6
550.25781	2.8
555.20123	2.4
563.22772	3.4
564.23547	2.3
573.21350	18.4
574.21631	2.9
577.24414	1.0
579.29510	0.7
591.24542	1.2
595.25385	1.0
605.23926	100.0
606.24310	14.7
623.24988	81.7
624.25269	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	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.2
69.13864	2.9
69.14276	1.7
79.05477	0.9
81.07057	1.0
87.86166	0.5
89.60000	0.5
89.82372	0.5
91.05501	1.0
93.07045	0.7
95.04973	0.7
95.08604	0.8
104.21312	0.5
105.07044	0.7
107.08633	0.8
114.03380	0.6
119.08573	0.8
121.10111	0.8
145.10152	0.7
147.11772	0.5
167.07048	1.6
169.10115	0.6
207.09241	0.7
211.12363	0.8
223.12526	1.3
235.12064	0.6
328.14780	0.7
360.35583	0.6
363.16064	0.9
374.16541	0.9
375.16751	1.2
376.17108	1.2
377.17673	2.2
378.18295	1.5
379.19366	1.0
386.15152	1.1
387.16251	0.9
389.17902	0.9
391.19339	3.3
392.19879	2.6
393.20746	2.6
394.16055	0.6
394.21207	0.8
399.16144	1.7
400.16949	1.8
401.17673	2.4
402.18451	1.0
403.19296	1.8
404.20587	0.9
405.20877	2.0
406.21088	1.0
407.22443	3.1
408.22964	1.0
413.17844	1.5
414.18658	1.3
415.19492	4.0
416.20175	1.3
417.20978	2.1
418.17834	0.9
419.18726	2.6
419.23239	1.1
420.23233	0.8
421.20285	1.1
427.19189	1.4
428.19852	2.4
429.20883	2.3
430.21603	2.1
431.18591	1.8
432.18658	0.8
433.16394	1.8
433.21075	1.3
434.17303	0.8
434.21265	0.8
435.21805	2.3
442.17978	1.0
443.17828	1.0
443.22498	2.1
444.19437	2.3
445.20151	2.6
446.21109	1.9
447.17419	4.2
448.18958	2.5
457.20880	1.1
458.21384	1.3
459.18451	2.1
460.18857	1.7
461.19226	3.2
462.20093	2.8
463.21371	2.5
471.22507	5.7
472.18246	1.5
473.19232	3.3
474.21066	3.0
475.16309	1.1
475.21359	3.0
476.19049	1.9
483.22406	1.3
484.19070	1.2
485.19772	2.6
486.20535	3.1
487.21436	1.2
488.18610	1.0
489.19006	2.4
489.22849	5.4
490.19287	4.8
491.20428	5.3
492.21552	0.7
499.21475	11.1
500.18768	2.3
501.23578	5.0
502.20041	1.9
503.20853	6.2
504.18054	0.7
507.23880	2.2
508.24014	0.8
511.21661	1.0
513.19116	4.4
516.21796	1.1
517.22388	18.2
518.22510	2.5
519.20776	0.9
521.21246	0.7
527.20624	2.5
529.22333	7.5
530.22131	0.9
531.20135	3.4
532.20850	0.9
535.23474	4.2
536.23969	1.1
545.21851	29.1
546.22064	2.7
555.19940	1.4
563.22833	3.7
564.23407	1.6
573.21265	9.0
574.21527	1.7
577.24731	3.6
578.25244	0.7
591.22559	4.6
592.23163	0.7
595.25562	1.3
605.23969	46.1
606.24475	6.6
623.24969	100.0
624.25208	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55072	0.3
93.35994	0.3
98.22581	0.7
102.58504	0.3
142.20816	0.3
148.82248	0.3
223.12282	0.6
237.13858	0.5
281.01099	0.3
309.09399	0.3
375.16684	0.5
376.17441	0.4
377.17841	0.9
378.18414	0.6
389.18445	0.4
390.18588	0.8
391.19061	2.0
392.20212	1.8
393.20886	1.1
400.17270	0.5
401.18124	0.4
403.19507	0.7
404.20126	0.9
405.20993	2.8
406.21310	2.4
407.22351	7.9
408.22739	0.7
413.17725	0.7
414.18509	0.8
415.19479	1.6
416.20078	0.4
417.20966	0.6
418.21506	0.4
419.22479	1.2
420.23145	1.3
421.23892	7.3
422.24686	2.8
423.25186	0.5
427.19299	0.3
428.19885	1.3
429.21005	3.3
430.21606	1.0
431.18274	0.7
432.19727	0.5
433.19397	0.6
433.24124	1.3
434.25220	0.4
435.25583	0.6
442.21854	0.7
443.22372	1.9
444.23502	1.5
445.20477	1.2
446.21021	0.5
447.18002	1.1
449.23083	0.6
452.22406	0.4
455.18427	0.4
456.19733	0.4
457.24649	1.7
458.25168	2.3
459.22028	2.6
460.23004	1.6
461.19925	3.1
462.20169	1.7
463.21289	1.0
470.21301	0.4
471.22568	0.4
472.22696	2.1
473.18799	0.6
473.23737	0.9
474.20096	0.4
475.21222	5.6
476.21777	4.8
477.22287	2.8
478.23566	0.9
484.18924	0.7
485.23669	5.1
486.20676	1.7
486.24808	0.9
487.21176	1.3
488.21866	1.5
489.23019	2.8
490.23190	0.5
493.25613	0.9
497.22781	0.4
498.20667	0.4
499.21271	5.6
500.22028	1.9
502.23514	0.7
503.24606	7.6
504.25455	1.9
505.22577	1.0
507.24139	1.1
508.28244	1.1
513.22906	2.0
514.23291	0.9
515.24249	0.9
517.25891	2.0
518.23865	0.5
521.25366	1.0
529.25726	0.5
531.23828	1.0
535.27112	5.7
536.27576	0.9
545.25482	25.5
546.25708	3.6
547.26910	0.4
559.22980	0.5
562.25726	0.4
563.26587	1.5
564.26984	1.9
573.24915	6.6
574.25507	1.2
577.28412	1.5
591.26270	2.7
605.27533	21.0
606.28125	2.7
623.28613	100.0
624.28949	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59469	1.6
57.07072	5.6
63.06438	1.6
67.05499	1.8
71.08635	2.8
73.02886	2.4
73.06537	1.8
81.07029	1.9
85.10201	2.3
87.04464	2.7
89.06026	16.3
95.08595	2.4
98.22575	5.4
100.21848	1.8
105.07001	1.7
107.08614	2.0
133.08618	6.4
177.11267	2.7
201.62694	1.9
389.18277	1.7
390.18857	1.9
391.19379	5.2
392.20120	2.2
403.19186	2.0
405.20847	6.1
406.21658	6.0
407.22256	15.2
408.22348	2.6
414.18579	3.9
415.19360	7.3
416.20111	2.2
419.22568	2.3
420.23242	2.4
421.23807	13.9
422.24637	4.6
427.19513	2.8
428.19849	3.3
429.20685	14.4
430.21420	4.9
431.17957	2.4
433.24313	4.0
443.22830	8.9
444.23032	6.3
447.17966	3.8
456.19556	2.8
457.24359	5.2
458.24869	10.4
459.21851	8.8
460.22351	4.5
461.19736	6.6
462.20349	3.0
463.20801	2.5
470.21353	3.0
471.21857	3.2
472.22855	8.9
473.23663	4.5
475.21457	5.6
476.21552	11.1
477.22824	5.3
485.23557	20.8
486.23950	6.0
488.22205	3.3
489.23224	3.4
499.21149	3.5
500.22217	5.6
503.24606	9.7
504.24860	3.3
507.23441	2.7
513.22577	4.4
514.23413	2.0
517.26074	9.2
535.27295	4.7
545.25452	97.9
546.25641	14.2
573.24902	23.1
574.25397	3.6
591.25989	3.3
605.27582	100.0
606.27911	16.1
623.28619	89.6
623.38953	4.0
624.28760	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05879	5.1
70.48965	0.5
71.34592	0.5
76.65192	0.5
79.15513	0.5
160.85855	0.6
212.80573	0.5
228.82150	0.6
265.11020	0.5
304.76025	0.5
310.14294	0.6
375.16742	0.5
376.17526	0.9
377.17767	0.8
388.17923	0.6
389.18152	0.8
390.18460	0.9
391.19363	1.4
400.16779	0.7
401.17444	0.7
402.18466	0.8
403.19507	1.2
404.20416	1.4
405.20721	4.1
406.21576	1.1
414.18665	1.4
415.19379	2.1
416.20145	0.8
417.20840	1.1
418.21826	0.7
419.22745	1.4
420.23303	1.4
421.23984	3.7
427.19583	1.0
429.21140	3.5
430.21906	2.6
431.22775	1.5
433.19370	3.2
433.25183	0.7
434.24863	0.9
441.21707	0.6
442.21661	1.5
443.22540	2.2
444.23260	1.9
445.20447	1.8
446.21161	0.7
447.17657	4.6
448.22491	1.7
449.23141	0.7
452.22049	0.9
457.24582	4.0
458.24536	1.8
459.21451	5.1
460.22589	5.0
461.19421	13.2
462.19928	2.4
463.21268	0.7
471.18073	0.8
472.22705	2.5
474.20377	0.9
475.21429	2.7
476.21985	15.0
477.22589	2.3
485.23517	13.1
486.19885	4.2
487.25134	2.3
488.21927	3.4
489.23514	2.6
490.23553	0.9
491.21030	1.6
497.23514	0.9
500.22211	2.0
501.23724	0.8
503.24554	13.0
504.24857	2.0
505.22513	0.8
513.22845	1.8
515.24402	9.8
516.24829	1.7
518.23267	0.7
519.23718	1.0
521.25641	11.5
522.25958	1.5
531.23901	24.3
532.24188	3.6
535.23792	1.5
541.22192	1.0
545.25439	3.9
549.25024	15.9
550.25281	2.0
559.23419	8.4
560.23669	1.4
563.26129	3.6
564.25470	0.8
591.26050	41.4
592.26501	6.3
605.27441	1.0
623.28625	100.0
624.28931	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63473	2.9
69.69415	2.5
71.32511	4.1
79.05522	2.7
81.07059	3.0
172.91103	2.7
210.94635	2.9
236.55333	2.7
403.19595	3.1
405.20639	3.8
430.17776	3.9
433.20422	6.0
445.20331	3.9
446.21149	4.0
447.22256	4.1
458.21405	8.1
459.21698	6.7
460.22800	4.4
462.14447	3.4
518.22791	5.2
533.25513	8.7
605.27612	12.2
623.28699	100.0
623.40808	16.0
624.29193	19.4
624.39709	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.2
71.31246	0.8
79.05516	1.3
81.07053	1.8
91.05501	1.1
93.07059	1.0
95.08627	1.2
95.16206	0.5
105.07040	1.1
107.08585	0.6
109.10126	0.8
119.08621	0.6
121.06506	0.5
131.08562	0.9
145.10101	0.8
159.11723	0.6
257.11386	0.6
375.16010	0.7
389.17450	4.5
390.18628	1.3
391.19232	4.1
392.19635	1.0
401.17920	0.8
402.18320	1.4
403.19260	3.6
404.19940	2.4
405.20746	9.5
406.21286	2.2
417.16458	7.1
417.21808	1.2
418.17532	4.1
419.18332	4.6
419.23465	0.6
420.19144	1.1
431.18231	7.0
432.19287	8.8
433.20154	11.3
434.20749	1.8
435.22571	0.7
443.18622	0.9
445.20642	3.6
446.20868	1.1
449.23688	1.0
458.20901	0.9
459.22043	1.7
460.22235	1.0
461.19904	2.4
462.20551	1.8
463.21313	2.1
464.22342	1.2
475.21381	1.9
476.22055	5.9
477.23505	7.2
478.23181	1.3
489.22879	1.7
490.23825	0.9
491.24457	2.4
519.23895	24.4
520.24103	4.0
521.21460	1.0
563.26550	17.1
564.27277	3.0
579.26031	5.3
580.26501	1.1
605.40479	0.9
623.28656	100.0
624.28894	15.9
624.38831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.61352	0.4
56.72113	0.4
56.80298	0.4
57.24276	0.4
67.05507	2.3
70.73739	0.5
71.04980	1.0
79.05495	1.3
80.15506	0.5
81.07059	1.5
83.08634	0.6
91.05479	1.6
93.07059	1.4
94.43134	0.4
95.08648	1.3
100.44827	0.5
105.07030	1.1
107.08580	1.0
109.10177	1.4
109.89180	0.5
117.07015	0.9
119.08574	1.0
119.74991	0.6
121.10127	0.5
127.03875	0.5
133.10170	1.0
138.01909	0.5
141.06969	0.6
143.50502	0.5
150.33125	0.6
169.21152	0.5
209.10776	0.6
211.12297	0.5
223.12271	0.7
257.49655	0.5
287.11298	0.6
340.14606	0.6
375.15994	0.8
377.17715	1.0
389.18115	0.9
390.18668	1.0
391.19290	2.1
393.20648	0.5
403.19241	2.3
404.20496	0.7
405.21271	2.5
406.21497	1.5
416.20062	1.5
417.16745	1.2
417.21359	1.2
418.17291	1.0
419.17712	2.7
419.22897	2.0
421.23895	2.4
429.16592	0.9
430.17767	1.4
431.18579	2.5
431.22791	1.7
432.19281	1.4
433.19778	3.7
434.21191	1.9
435.21805	0.9
443.18164	0.9
444.19409	1.5
445.20111	4.0
446.21045	1.8
447.22647	3.5
448.22864	1.5
449.23315	4.9
450.24109	1.1
457.20618	0.7
458.21112	1.4
459.21820	9.3
460.22968	2.5
461.19473	2.2
461.24329	1.1
462.19791	0.8
463.21512	2.2
473.23380	0.9
475.21548	2.3
476.21930	6.5
477.22852	4.9
478.23386	0.6
489.23212	3.0
490.23367	0.7
491.20859	0.9
503.24402	1.9
506.06638	0.7
519.24078	2.1
521.21350	1.2
531.24316	1.0
533.25739	2.5
534.26025	0.7
535.27625	3.1
545.25262	2.6
546.26440	1.3
547.27045	2.7
548.24316	0.6
563.26593	17.7
564.27081	3.1
578.28125	0.6
591.26068	1.9
593.27490	1.1
595.29095	1.1
605.27686	4.2
606.28339	17.4
607.28394	2.1
623.28638	100.0
624.28949	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.4
67.05505	0.6
69.07093	0.8
71.31689	0.4
71.32050	0.5
75.30680	0.4
79.21331	0.4
81.07086	0.8
91.05496	0.5
93.07052	0.9
95.08595	0.7
100.22263	0.4
107.08628	0.9
119.08559	0.5
133.10172	0.5
141.13196	0.4
143.84007	0.3
239.81505	0.4
368.29599	0.4
375.15884	0.7
387.16071	0.7
388.16879	0.4
389.17773	1.6
391.19440	1.1
400.17059	0.4
401.17758	1.0
402.18475	1.3
403.14877	0.5
403.19717	2.2
404.19995	1.1
405.02878	0.4
405.20917	1.9
406.21362	0.4
415.19281	1.8
416.20255	1.3
417.16833	1.7
417.21753	3.0
418.17328	0.7
418.22128	0.7
419.22574	4.9
420.22980	0.9
429.16690	1.0
430.17844	1.4
431.18549	3.2
431.22784	2.3
432.18796	2.0
433.20419	1.7
435.21869	0.6
440.32898	0.4
443.18530	4.4
444.19562	1.5
445.20187	8.7
445.25989	0.5
446.21091	5.4
447.22040	7.2
448.22891	0.6
449.23526	1.5
457.20212	1.1
458.21194	1.5
459.22025	3.7
460.22760	0.9
461.19907	1.7
462.20679	1.4
463.21118	2.1
473.23370	0.9
475.20892	2.5
476.22092	5.8
477.22891	6.4
478.23267	1.5
489.23199	2.2
490.23523	1.2
491.20233	0.6
501.23199	0.5
503.24521	1.1
505.22672	1.2
518.24268	0.5
521.21954	1.4
531.23724	0.9
533.17426	0.9
533.25519	15.0
534.25922	2.4
535.24408	0.7
545.25208	1.1
549.24963	0.5
563.26648	18.3
564.27057	2.8
590.25092	0.5
592.26672	0.6
593.27527	4.2
594.26465	0.8
605.27032	1.4
623.28644	100.0
624.28967	13.7
624.39203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.5
53.03944	2.2
55.01873	3.0
55.05513	0.8
57.03430	1.3
61.02917	1.2
65.03933	0.6
67.05529	0.5
68.99818	0.7
69.03077	0.6
69.03435	9.6
69.07079	2.5
69.78329	0.8
69.78693	1.2
70.06588	1.2
71.04997	1.0
72.08157	1.2
72.73480	0.4
73.02905	1.6
73.06531	0.5
74.06066	0.4
78.70703	0.4
79.05508	2.2
81.03422	7.2
81.07056	1.6
83.04971	0.5
85.02909	18.6
86.09698	0.8
87.00832	5.4
91.03938	0.6
91.05476	4.6
93.07056	2.2
94.04195	2.5
95.04957	1.2
95.08599	1.1
97.02901	7.5
97.06517	0.6
99.04456	3.5
101.42731	0.4
103.05480	2.8
105.01881	5.6
105.04574	0.7
105.07031	6.4
107.04964	1.5
107.08603	0.9
108.58733	0.4
109.02878	8.1
109.03578	0.7
109.06532	2.5
111.04411	0.5
115.03933	1.0
115.05447	3.3
115.07556	1.4
116.06288	0.5
117.01873	0.8
117.07031	2.6
119.04946	1.0
119.08585	3.0
120.08109	0.5
121.06510	1.7
121.10131	0.6
122.03650	6.6
123.04456	0.4
123.08076	0.4
127.03922	13.7
128.04219	0.5
128.06241	1.3
129.01837	1.1
129.07010	1.7
130.04120	0.5
131.04933	2.2
131.08592	0.9
132.05699	1.5
133.06506	5.0
133.10130	0.6
135.04427	0.7
136.07587	0.4
137.05980	100.0
138.06331	3.1
141.02057	0.4
141.07050	0.6
143.04968	0.7
143.08585	1.0
144.05707	0.7
145.04974	6.2
145.06503	1.9
145.10120	1.4
146.03606	0.5
147.02831	0.4
147.04391	1.3
147.08038	3.3
147.11679	0.8
149.06015	3.3
150.06447	0.3
151.03943	1.2
151.07552	1.4
153.05499	0.6
155.04958	1.1
156.05772	0.6
157.06494	0.5
157.10089	0.4
159.02896	4.0
159.08064	2.5
160.05183	1.0
161.05983	14.3
161.13280	0.8
162.06635	1.4
163.07527	2.6
165.06953	0.5
167.07045	0.7
171.11655	0.4
172.05226	0.9
173.06078	0.7
173.13254	1.0
175.07550	23.6
176.07957	0.9
177.04036	0.6
177.05525	0.9
177.09062	0.7
179.07030	1.4
181.10185	0.5
183.11687	0.4
184.05270	0.5
185.05853	0.4
187.07549	8.9
189.03938	0.8
189.05475	0.6
189.07045	0.8
189.09074	1.0
190.07715	2.5
191.07048	0.5
191.08577	7.9
192.09280	0.4
193.08594	2.0
197.05908	0.6
199.07597	3.7
202.07747	1.2
203.07008	0.7
203.08585	2.3
205.04681	0.5
205.06630	0.6
205.08604	1.7
207.08099	0.9
208.08827	1.2
213.03911	1.0
213.16393	0.8
217.08572	0.9
218.07341	1.8
219.08075	12.3
220.08783	2.4
221.05945	0.5
221.09459	0.8
223.11180	0.4
223.14978	0.5
229.08575	1.4
230.06999	0.5
231.04898	3.0
231.08037	3.0
232.08710	0.7
233.09563	0.5
235.07584	1.4
236.08348	2.3
237.16464	0.5
247.07536	5.3
247.14793	0.5
248.08272	2.9
249.08876	0.8
250.09657	0.5
251.10698	16.8
252.10991	1.4
253.08626	1.3
259.07544	2.5
260.08185	1.0
261.09048	1.8
263.10715	1.6
264.07819	1.7
265.08511	1.2
265.15927	0.6
270.60568	0.4
276.07773	1.0
277.08554	1.2
278.09238	0.5
279.10175	13.7
280.10849	2.0
281.08051	1.1
283.16791	0.8
287.05557	0.5
289.08459	0.6
291.10159	5.1
292.10733	1.3
293.11673	0.8
296.10388	1.7
297.11087	0.7
301.07095	0.5
301.17911	0.7
303.10080	1.4
308.10486	0.9
309.11115	1.3
311.12778	41.9
312.13187	2.7
319.19077	9.4
321.11325	1.9
322.12103	0.5
323.12781	13.1
324.13245	1.0
329.13846	1.0
333.11227	1.1
335.12628	2.7
341.13873	3.6
347.12866	0.8
353.13806	3.0
365.13657	1.1
367.24081	0.5
377.13895	1.3
401.13660	2.4
419.14612	1.4
437.15796	0.6
455.17117	0.6
463.30469	3.0
497.17630	0.6
505.14774	0.6
523.15985	1.3
541.16974	1.4
559.18097	0.9
564.18298	1.2
624.23871	0.7
625.22491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01874	6.0
55.05508	7.2
57.03428	6.4
57.73508	1.9
65.03928	3.2
67.05502	17.2
68.99776	3.5
69.03439	9.3
69.07069	26.1
69.13583	18.2
70.06622	2.1
71.04987	6.4
73.02914	2.5
77.82384	2.0
78.65266	1.8
79.05492	18.4
81.03416	5.6
81.07060	35.9
83.04971	11.6
85.02901	22.9
85.06562	10.7
86.09741	2.5
91.05489	16.7
93.07048	43.5
95.01335	27.1
95.04968	100.0
95.08611	9.2
97.02910	8.1
97.06538	20.7
99.04458	6.5
103.88901	1.9
105.07037	35.4
107.04981	9.0
107.08598	18.6
109.02875	3.6
109.06516	25.9
109.10117	3.4
111.00830	3.4
111.04426	2.7
111.08088	4.8
111.11702	2.5
113.02348	6.8
113.06022	4.6
115.07598	2.3
117.07008	8.5
119.04956	4.4
119.08582	15.2
121.06535	12.9
121.10147	30.4
123.04435	6.6
123.08105	6.5
125.05996	11.6
127.03921	4.3
127.07565	9.4
129.01862	5.6
131.08571	12.6
133.06523	6.9
133.10112	13.4
135.04413	3.9
135.08067	3.1
135.11714	15.8
137.05998	20.8
139.07536	4.6
139.11226	9.9
140.10701	6.0
141.01830	33.7
143.07076	3.0
143.08522	4.3
144.09320	3.8
145.04982	3.1
145.06499	3.4
145.10133	49.8
147.08064	5.0
147.11691	5.9
149.09641	7.9
151.07515	14.8
155.07030	15.8
158.07263	3.8
159.03001	2.2
159.08017	4.9
159.11690	24.9
160.95839	2.0
161.09590	5.4
161.13293	2.4
163.07547	2.1
163.09821	3.6
163.11174	66.0
163.12480	3.8
164.11485	2.9
169.10104	3.8
169.32883	1.9
173.09622	24.9
175.07687	2.5
175.11174	3.2
177.03975	14.3
177.12817	3.6
181.05016	2.9
181.12230	27.0
182.07242	1.9
187.11179	42.9
189.12701	4.7
191.10667	28.7
197.09668	2.7
200.92017	1.9
201.03947	54.7
205.12268	16.1
209.11684	14.2
215.10689	26.8
217.83577	1.8
227.12814	4.9
233.11697	28.3
233.15376	2.0
234.11984	3.1
239.09433	2.5
247.04472	4.4
251.12788	20.1
258.05295	7.8
269.13785	5.0
273.09598	2.3
286.04745	14.1
287.05646	2.4
301.06979	44.1
301.09912	3.0
339.14426	32.0
346.36426	2.1
349.12857	2.8
357.15860	2.8
367.13806	7.7
373.12900	4.0
391.13855	21.2
392.14124	2.5
408.31180	3.3
409.14911	96.8
410.15201	7.2
427.16022	76.8
428.16364	4.7
445.16949	6.3
623.38898	5.1
624.38983	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	624.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
61.02910	0.8
67.05499	3.2
69.03440	4.8
69.07090	1.0
69.65249	1.5
69.65633	2.1
79.05498	2.1
81.03443	1.0
81.07066	2.6
83.05000	2.5
85.02908	8.6
91.03959	0.7
91.05494	3.3
93.07054	4.8
95.04977	6.1
95.08610	2.2
97.02915	2.8
97.06519	0.8
98.23360	0.8
105.07034	6.6
107.08580	1.8
109.02898	1.1
109.06514	5.3
111.04442	3.7
111.08104	2.0
113.06026	2.1
116.55279	0.8
117.07013	1.6
119.08576	10.7
121.02911	1.0
121.06487	5.4
121.10146	1.3
123.08060	4.1
127.03938	2.1
128.06253	1.1
129.07004	1.2
131.08559	4.5
133.06473	0.9
133.10172	3.1
135.08064	10.8
137.09601	1.9
139.03889	1.8
139.07549	1.0
142.07719	1.5
143.08585	1.1
144.09354	1.1
145.04970	3.0
145.06444	0.9
145.10153	4.1
146.05995	1.0
147.04385	1.6
147.08044	5.7
147.11659	1.8
149.09653	2.7
155.08546	0.9
156.09375	1.2
157.10124	3.8
158.07300	2.1
159.08058	5.3
159.11699	5.5
161.09659	6.4
163.06041	0.8
165.09114	5.2
169.10115	1.4
171.08121	1.2
171.11586	1.1
172.08871	1.5
173.09631	3.4
173.13301	3.5
175.07530	7.9
175.11197	5.8
177.05551	1.1
183.11731	1.6
185.09616	1.1
186.10361	0.9
186.73337	0.9
187.11179	6.1
188.07152	1.9
189.09161	2.7
189.12723	1.7
193.08650	2.2
196.08850	1.1
199.11221	4.5
201.12698	5.8
203.10649	7.8
205.04817	1.9
205.12262	1.2
211.11203	3.5
217.12222	3.9
219.13774	1.9
225.04260	1.0
229.12251	5.9
235.13313	1.9
247.13322	23.7
248.13596	1.6
265.14359	100.0
266.14670	6.5
338.98471	0.8
352.30896	0.9
409.18799	1.5
418.02844	1.0
427.19824	1.2
429.09125	0.8
448.00140	0.9
625.20477	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	624.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01862	2.7
55.05507	6.8
56.05030	3.1
60.04534	5.1
64.98340	0.8
65.03938	1.0
66.25622	1.0
67.05506	22.0
68.05042	1.0
68.05835	0.9
69.03432	6.8
69.07079	5.4
69.73466	5.0
70.06615	1.2
71.04995	3.4
79.05495	18.7
80.05019	3.3
81.03432	4.6
81.05787	3.2
81.07056	21.8
82.06584	4.6
83.05001	1.8
83.08626	2.8
85.02908	3.0
85.06548	3.3
85.74555	1.0
87.04466	1.8
91.05459	8.3
93.07047	28.0
94.06568	19.3
95.04981	5.1
95.08608	33.1
96.08138	4.8
96.08921	1.3
97.02853	1.3
97.06539	8.7
97.10183	1.0
103.05475	1.6
105.07030	15.9
106.07373	1.0
107.04983	1.1
107.07339	4.4
107.08574	5.0
108.08124	1.4
109.10143	5.6
110.09693	8.8
111.08082	13.9
113.09674	1.4
119.08610	3.3
120.08112	1.3
121.06507	1.3
121.10136	7.2
122.09669	37.8
123.08074	30.8
123.11734	4.3
128.09763	1.7
128.10722	28.1
130.12280	1.5
133.10136	1.8
135.11678	3.1
137.05997	2.2
137.09564	1.4
140.10706	100.0
141.09096	16.1
141.11046	2.7
145.10107	2.3
147.11713	1.3
149.09637	1.0
149.13261	2.2
158.11783	8.5
159.11743	1.2
163.11172	1.1
167.07066	1.4
181.04958	1.7
205.19563	2.6
223.20589	2.6
237.18541	0.9
245.49347	1.0
268.22873	4.4
284.22180	1.3
286.23605	4.3
294.24307	1.5
360.28882	1.6
378.29898	3.9
390.30072	7.7
396.31100	1.9
400.27167	1.3
408.31100	60.3
409.31479	6.5
426.32138	53.9
427.32318	4.3
444.33453	5.4
552.34991	1.1
570.36469	1.8
581.28082	1.2
625.28851	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01862	2.7
55.05507	6.8
56.05030	3.1
60.04534	5.1
64.98340	0.8
65.03938	1.0
66.25622	1.0
67.05506	22.0
68.05042	1.0
68.05835	0.9
69.03432	6.8
69.07079	5.4
69.73466	5.0
70.06615	1.2
71.04995	3.4
79.05495	18.7
80.05019	3.3
81.03432	4.6
81.05787	3.2
81.07056	21.8
82.06584	4.6
83.05001	1.8
83.08626	2.8
85.02908	3.0
85.06548	3.3
85.74555	1.0
87.04466	1.8
91.05459	8.3
93.07047	28.0
94.06568	19.3
95.04981	5.1
95.08608	33.1
96.08138	4.8
96.08921	1.3
97.02853	1.3
97.06539	8.7
97.10183	1.0
103.05475	1.6
105.07030	15.9
106.07373	1.0
107.04983	1.1
107.07339	4.4
107.08574	5.0
108.08124	1.4
109.10143	5.6
110.09693	8.8
111.08082	13.9
113.09674	1.4
119.08610	3.3
120.08112	1.3
121.06507	1.3
121.10136	7.2
122.09669	37.8
123.08074	30.8
123.11734	4.3
128.09763	1.7
128.10722	28.1
130.12280	1.5
133.10136	1.8
135.11678	3.1
137.05997	2.2
137.09564	1.4
140.10706	100.0
141.09096	16.1
141.11046	2.7
145.10107	2.3
147.11713	1.3
149.09637	1.0
149.13261	2.2
158.11783	8.5
159.11743	1.2
163.11172	1.1
167.07066	1.4
181.04958	1.7
205.19563	2.6
223.20589	2.6
237.18541	0.9
245.49347	1.0
268.22873	4.4
284.22180	1.3
286.23605	4.3
294.24307	1.5
360.28882	1.6
378.29898	3.9
390.30072	7.7
396.31100	1.9
400.27167	1.3
408.31100	60.3
409.31479	6.5
426.32138	53.9
427.32318	4.3
444.33453	5.4
552.34991	1.1
570.36469	1.8
581.28082	1.2
625.28851	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92575	0.3
68.53252	0.3
70.06595	0.7
71.22083	0.3
71.29639	0.3
71.30031	0.3
72.08170	0.4
75.67191	0.3
81.86909	0.3
82.90134	0.3
85.02915	1.0
94.24026	0.3
95.95286	0.3
107.58192	0.4
117.76996	0.3
132.06596	0.4
134.44719	0.3
135.07957	0.4
147.04497	0.5
163.03938	0.4
175.03674	2.8
177.05460	0.6
185.04279	0.7
189.05215	0.4
202.95990	0.4
205.04736	38.7
206.05138	1.1
207.04695	0.3
219.06252	1.7
223.05894	0.3
248.13715	0.4
265.14444	0.7
266.07623	4.0
266.14746	1.2
267.08502	0.5
279.08368	0.7
309.09317	0.3
351.10535	6.0
352.10938	0.5
363.10388	0.6
365.07562	0.6
365.12073	7.2
366.12881	0.5
381.11731	0.6
463.15747	8.6
464.16495	0.7
475.14090	0.5
479.85556	0.3
517.02844	0.3
625.20953	100.0
626.21375	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	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61331	0.4
55.05515	1.1
66.90093	0.5
67.05508	1.8
69.07073	0.9
69.31064	1.4
69.31482	2.0
79.05497	1.9
81.07058	2.3
83.04995	0.9
83.08642	0.5
85.16148	0.5
91.05476	1.0
93.07058	2.0
94.91507	0.5
95.04985	1.2
95.08609	1.5
97.10140	0.7
105.07041	1.4
108.08126	0.5
109.06544	0.6
109.10168	0.6
119.08595	1.1
121.10112	0.8
122.50256	0.5
133.10182	0.7
135.11688	0.6
209.10762	0.4
210.11354	0.5
213.20279	0.5
273.18497	0.8
291.19537	0.8
324.14978	0.8
364.18491	0.6
376.16763	0.7
377.17892	1.4
378.18661	1.4
389.18018	0.7
390.18494	2.3
391.19122	4.6
392.19843	2.8
393.20975	1.0
403.19040	1.2
404.20114	2.1
405.20734	9.3
406.21445	3.4
407.22385	6.4
408.22922	0.8
417.21033	1.2
418.21765	1.2
419.22379	3.6
420.23257	3.1
421.23813	7.7
422.17279	1.4
422.24362	1.2
433.24530	2.4
434.24683	2.6
435.18289	1.9
435.25024	0.8
436.18985	2.4
437.19565	1.4
445.20111	1.4
446.20929	1.1
447.21320	1.0
449.19861	1.4
449.27173	1.0
450.20636	1.9
451.21289	20.1
452.21927	6.6
460.22775	0.7
461.23605	1.3
463.21201	1.7
464.22156	2.4
465.22852	19.4
466.23523	6.2
473.19708	1.0
475.20450	1.1
475.25778	1.0
478.23801	1.2
479.24493	3.4
487.21027	1.1
488.21930	1.7
489.22318	0.7
491.20728	1.6
492.20892	2.5
493.26004	16.1
494.26450	3.4
501.23001	0.7
502.23462	0.8
503.24399	8.3
504.24368	2.6
505.22592	0.6
506.23056	0.8
509.21912	4.9
519.23676	1.1
521.25415	9.9
522.25781	1.7
523.23468	12.9
524.23956	2.1
533.23053	0.5
537.24976	7.2
538.25714	28.6
539.25977	3.6
547.23541	3.2
548.23663	1.0
549.24603	0.8
565.24487	13.6
566.25006	4.8
581.27588	8.8
582.27728	1.0
607.25385	6.8
608.25171	1.2
625.26538	100.0
626.26923	14.8
641.17590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16258	0.5
55.05502	0.7
56.88308	0.5
67.05504	2.8
69.07062	1.0
71.30482	0.6
79.05505	1.9
81.07069	2.4
82.43810	0.5
83.08642	0.7
87.21333	0.6
91.05499	2.0
93.07064	2.2
95.08623	1.9
105.07021	1.6
105.89346	0.6
107.08608	1.2
109.06515	0.8
109.10166	1.4
119.08586	1.8
121.10181	0.9
129.06998	0.8
131.08530	0.9
133.10138	1.4
143.08595	1.5
145.10175	1.7
155.08543	0.7
159.09180	0.7
159.11673	1.0
173.13353	0.8
237.13889	1.2
273.18631	1.0
388.18198	0.6
389.17664	1.5
390.18872	0.9
391.19376	0.8
401.17786	1.4
402.18961	1.0
403.19543	2.8
404.19824	1.9
405.20767	1.0
415.19550	1.1
416.20209	1.5
417.20978	1.9
418.21625	1.0
419.22321	2.0
420.23212	1.0
421.24008	1.9
427.19150	1.0
430.22232	0.8
431.18619	2.9
431.23169	1.6
432.23517	1.2
433.24353	1.4
445.20200	1.9
446.21011	1.2
447.21814	2.4
448.18860	1.0
459.21957	2.6
460.22302	1.9
461.24084	0.9
463.21359	1.1
471.17889	0.9
472.19098	0.8
473.19583	2.3
473.24280	1.1
474.19821	4.2
475.20966	12.5
476.21960	2.6
477.22949	2.6
478.22403	0.6
483.22034	1.8
484.22598	0.8
486.21100	1.2
487.21414	6.5
488.21893	2.0
489.23035	1.4
491.20914	2.6
492.25131	2.5
493.22504	1.0
495.23669	0.7
501.22998	8.0
502.20209	4.6
503.20010	4.9
504.21387	1.1
505.22397	2.6
510.26505	0.8
511.21887	0.8
513.22876	2.5
515.20697	1.1
516.21240	1.1
517.22955	0.8
519.23920	5.3
520.24890	1.1
529.22534	5.3
531.23975	1.4
533.22186	0.7
534.22882	0.9
537.24915	1.0
537.92621	0.7
547.23456	18.7
548.23853	3.2
565.24615	1.3
566.25317	1.7
575.22888	8.5
576.23303	1.2
589.24524	4.5
607.25482	56.8
608.25854	7.7
625.26544	100.0
625.43909	2.9
626.26904	15.4
626.44281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61132	0.5
55.05504	0.9
60.91618	0.5
67.05499	2.6
69.07069	1.4
69.11754	2.1
69.12174	1.9
79.05491	2.3
81.07047	2.7
83.08616	0.7
91.05490	1.1
93.07059	1.9
95.08630	1.8
105.07011	1.6
107.08606	1.7
109.06548	0.8
109.10164	1.1
110.16284	0.5
117.07019	1.0
119.08624	0.7
121.10149	1.1
123.20861	0.6
130.88008	0.6
131.08458	0.9
133.10135	0.6
135.11722	0.8
137.94646	0.6
143.08543	0.9
145.10182	0.6
147.11703	0.6
157.10048	0.9
159.11722	0.9
160.52896	0.6
169.10112	0.7
183.11629	0.8
251.15456	1.2
272.61264	0.6
273.18570	0.5
342.99155	0.6
387.16150	0.6
388.17346	0.7
389.17676	1.6
390.18671	1.3
401.17822	0.8
402.18716	1.3
403.19543	2.1
404.20419	2.6
406.21994	0.7
415.19485	1.3
416.20154	0.8
417.20901	2.1
418.21808	1.3
419.22412	2.2
420.23059	0.7
421.23987	2.4
429.21136	1.2
430.18030	1.0
431.18375	2.2
431.22549	2.4
432.23569	1.3
433.24072	2.0
443.18500	0.7
444.19223	1.2
445.19946	1.5
446.20993	2.1
447.21674	1.9
449.19577	1.0
452.21249	0.7
457.24384	1.0
459.22498	3.0
460.22736	1.3
461.19354	0.8
461.24359	0.8
462.20584	1.2
463.21207	1.0
472.19324	1.6
473.18723	3.4
474.19662	4.1
475.20886	9.9
476.21997	2.9
477.23444	3.8
478.19858	0.8
483.21832	2.0
484.22583	1.0
486.20367	1.2
487.21603	6.8
488.21738	2.0
489.23413	0.7
491.20892	2.3
492.25128	2.0
493.26425	0.6
501.23038	8.3
502.20227	4.3
503.20050	4.5
504.21475	1.1
505.22430	2.6
506.22867	0.7
513.23120	1.9
516.21442	0.9
519.23999	4.8
520.24774	1.3
524.24518	0.8
529.22363	4.8
530.22925	0.6
531.24072	1.0
533.21643	1.0
535.23279	0.8
537.25134	1.5
540.31854	0.9
547.23450	17.4
548.23743	3.3
550.22217	1.0
557.21576	1.1
566.25403	1.8
575.22876	7.5
576.23065	1.1
579.25690	0.7
589.24445	5.3
607.25494	58.1
608.25793	9.8
625.26544	100.0
625.43903	3.2
626.26923	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	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01884	3.8
57.03440	0.6
60.04530	81.6
61.02932	1.2
61.04861	0.5
66.04717	0.6
69.03430	4.8
69.95858	1.4
70.06601	1.3
72.04526	4.6
73.02932	0.8
77.03941	0.7
79.05497	8.5
81.03431	1.8
84.04509	0.7
85.02910	8.4
86.06059	0.5
87.04478	1.0
89.03918	1.3
90.04705	0.8
90.05561	13.5
91.04005	0.6
91.05472	3.2
95.04974	0.8
97.02910	3.3
99.04498	0.6
102.05561	1.1
103.05477	11.3
103.06130	0.8
105.07037	81.6
106.07357	2.7
107.04982	0.8
109.02875	1.5
110.07144	0.7
115.05464	17.6
115.06260	0.9
116.05756	0.7
118.04150	5.0
118.04742	0.5
127.03957	1.6
131.04930	3.3
132.05711	0.9
132.06578	6.3
132.65004	0.5
133.06497	69.9
134.06853	1.8
137.05884	0.8
139.35921	0.6
143.04929	1.7
143.06064	6.0
145.04980	1.1
145.06564	0.7
147.04398	0.8
153.05472	1.5
159.04453	2.0
160.05190	0.9
161.05988	100.0
162.06375	4.1
163.03976	0.6
165.05496	0.8
167.07103	0.6
174.05540	1.5
177.05505	6.2
179.07230	0.6
181.04839	0.5
181.83701	0.4
191.07086	1.9
193.08612	47.7
194.08974	2.2
195.06619	0.6
204.08786	0.8
205.07407	0.8
206.08162	4.2
207.06564	1.1
207.08478	0.6
214.34807	0.5
215.42058	0.5
219.06523	5.5
236.09177	8.0
237.07582	0.8
254.10291	1.2
256.87775	0.5
270.09683	0.7
272.11298	54.1
273.11703	2.6
416.15448	0.6
434.16602	93.0
435.17026	7.8
626.21649	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10000	0.3
51.59503	0.3
53.03942	1.3
55.01868	2.3
57.03435	4.8
60.00468	0.4
61.02647	0.7
61.02926	8.4
69.03426	15.4
70.06590	0.6
71.01333	0.5
71.04987	1.8
73.02911	3.2
78.07711	0.4
81.03410	5.6
81.03850	0.4
83.01349	0.8
85.02901	100.0
86.03239	1.3
87.04459	2.2
91.03958	5.3
91.05491	0.5
97.02890	25.2
97.82057	0.3
99.04446	4.2
101.02374	0.8
103.03958	0.7
105.03406	0.9
105.07027	2.4
109.02879	7.7
115.03922	1.2
119.04972	0.7
120.08105	0.4
127.03912	26.0
128.04243	0.5
131.04898	0.7
135.04417	0.5
137.06010	0.6
145.04951	52.4
146.05266	0.8
147.04436	0.6
161.05952	0.8
163.06012	34.4
164.06331	1.0
173.16794	0.4
175.03929	0.5
178.06194	1.0
181.04904	0.4
182.04381	0.4
185.09828	0.6
193.08560	1.0
198.33971	0.4
207.06505	0.8
231.10074	0.6
249.11119	0.4
267.12323	0.6
271.08066	1.0
285.13342	2.7
289.09186	2.5
325.11292	6.7
465.11887	0.8
474.09610	0.4
486.98517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01871	2.3
56.05307	0.3
57.03438	4.9
59.04995	0.4
60.04524	0.3
61.02927	7.5
69.03431	17.0
70.03773	0.4
70.06595	0.8
71.01335	0.4
71.05000	2.0
71.30579	0.3
73.02915	3.1
75.73547	0.3
79.05525	0.4
81.03417	6.5
81.07070	0.3
81.50729	0.4
82.27575	0.3
83.01353	0.6
83.05025	0.3
85.02906	100.0
86.03239	1.4
87.04466	1.8
91.03953	5.9
91.05484	0.9
93.78104	0.3
94.85767	0.3
95.04974	0.4
97.02894	25.5
97.06512	0.3
98.03210	0.6
99.04457	3.7
99.99011	0.3
101.02331	0.4
103.03937	1.1
105.03409	0.8
105.07031	2.2
109.02882	8.0
109.41600	0.3
115.03918	1.2
117.05505	0.4
119.04937	0.6
120.08150	0.4
127.03919	25.6
128.04266	0.6
131.04900	0.6
133.06519	0.6
135.04420	0.5
135.53772	0.3
136.07562	0.9
137.02307	0.3
137.05914	0.4
143.08551	0.3
145.04959	57.3
146.03598	0.3
146.05302	1.3
147.04405	0.8
161.05977	1.1
163.06023	34.2
164.06429	0.5
178.06248	1.1
185.09769	0.6
191.06978	0.3
193.08614	1.9
195.60463	0.3
198.67929	0.3
207.06543	0.8
231.10269	0.4
249.11357	0.4
267.12125	0.7
271.08115	0.7
285.13351	2.9
289.09207	2.2
303.04999	0.4
325.11282	6.9
465.11670	0.8
465.18478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01871	0.4
57.03436	0.6
60.04524	0.2
60.08158	0.3
61.02925	0.9
65.03929	0.2
68.99784	0.6
69.03434	2.6
69.43964	0.2
69.44375	0.5
70.06589	0.8
71.04973	0.3
73.02940	0.2
81.03424	1.2
83.01350	0.2
84.08118	0.1
85.02908	6.5
87.04492	0.2
91.03952	0.3
91.05477	0.3
93.03394	0.3
94.57857	0.1
95.04961	0.3
97.02903	2.1
99.01427	0.2
99.04449	0.4
103.05474	0.6
105.03354	0.1
105.07013	0.2
109.02894	0.9
111.00785	1.1
111.04360	0.1
115.05440	0.1
119.04940	0.2
120.08173	0.3
121.02871	1.0
123.04405	0.2
126.02490	0.5
127.03200	0.1
127.03946	1.2
131.04945	1.3
133.02844	0.3
133.06519	0.2
135.04369	0.3
137.02339	3.5
137.03389	0.3
137.05980	0.5
138.09196	0.2
143.91876	0.1
145.05014	0.8
145.06468	0.2
147.04414	0.6
149.02365	0.4
149.05984	0.3
153.01833	3.7
155.04866	0.2
161.05971	0.6
163.03925	0.5
163.07591	0.8
165.01845	2.2
166.02690	0.2
173.06013	0.4
177.05476	0.2
179.07043	0.2
181.04932	0.4
183.02899	1.0
183.04340	0.2
185.09816	1.2
186.10135	0.4
187.03864	0.3
191.06953	0.2
193.01604	0.1
193.03198	0.5
193.08583	0.3
195.02985	0.1
201.05482	1.7
205.04941	0.3
207.02951	0.2
207.06552	0.5
219.02998	0.2
219.06598	0.2
229.04973	4.2
233.04532	0.2
247.06023	0.8
257.04459	2.7
258.04935	0.2
272.11121	0.2
274.04767	0.8
275.05463	0.4
285.04001	1.4
303.04984	100.0
304.05331	5.2
304.08871	0.2
315.05023	0.1
344.12433	0.1
364.83261	0.1
465.10291	4.5
466.10712	0.4
466.94485	0.1
582.28058	0.5
583.28900	0.7
627.19995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.2
55.05508	1.1
61.53957	0.1
65.03928	0.3
67.05475	0.4
68.99807	0.1
69.03403	0.6
69.07056	0.2
70.06575	0.2
79.05476	0.4
81.03370	0.2
81.07043	0.4
83.04984	4.7
85.02878	0.5
89.03913	0.2
91.05053	0.1
91.05483	1.6
93.07020	0.6
95.04947	0.5
95.08602	0.8
97.02872	0.3
97.52206	0.1
98.69410	0.1
101.05984	0.2
102.04680	0.8
103.05466	0.3
105.07039	1.3
106.04108	0.2
107.04951	0.3
107.08572	0.5
109.02879	0.3
109.10113	0.2
110.03642	0.7
111.04449	5.7
115.05436	0.3
117.03363	0.2
117.07035	0.3
118.04093	0.2
119.04959	1.0
119.08573	1.0
121.06541	0.3
121.10143	0.5
123.04435	0.4
124.05189	0.2
125.05965	0.3
127.03935	0.2
129.05525	0.3
130.04150	1.2
131.04904	0.4
131.08597	0.7
133.06502	0.4
133.10109	0.6
135.04388	0.6
135.08020	0.3
135.11682	0.2
135.38078	0.1
136.05177	0.9
137.06004	1.2
141.06990	0.1
143.08556	0.4
145.02911	0.2
145.10104	1.1
146.03635	2.4
147.04431	2.2
147.07985	0.2
147.11629	0.2
148.05205	3.7
149.06033	0.4
149.09583	0.2
150.06651	0.2
153.01831	3.0
153.02971	0.3
155.08524	0.3
157.10146	0.3
159.11658	0.5
161.04219	0.1
161.04651	0.2
161.05980	2.6
161.09578	0.2
161.13179	0.2
162.06808	0.9
163.03912	0.9
167.07040	0.9
170.10574	0.1
171.02916	0.2
171.06470	0.3
171.11661	0.2
173.13277	0.4
175.14870	0.3
177.05429	0.3
180.07756	0.2
181.05051	0.8
185.13232	0.4
187.14798	1.7
189.12770	0.2
189.16380	0.3
199.14825	0.4
201.16324	0.3
203.03400	2.1
203.14326	1.1
213.05428	0.5
213.16330	0.3
217.15880	0.2
229.04988	3.2
230.05368	0.3
231.13873	0.2
233.15413	0.2
241.04958	0.9
242.05725	7.9
243.06026	0.6
253.04947	2.8
254.05362	0.2
255.06560	0.4
257.04446	44.2
258.05182	14.6
259.05566	0.9
263.07333	0.2
269.04474	1.2
270.05194	1.9
271.05933	1.1
283.06055	0.6
285.03943	6.5
286.04715	27.9
287.05450	13.9
288.05878	0.5
295.05978	0.5
295.09363	0.3
297.03961	4.5
298.04532	0.2
299.05441	1.4
300.06296	0.3
311.05502	0.3
327.04974	1.7
329.06494	0.3
330.94339	0.2
341.06577	1.0
359.09134	0.2
361.23392	0.2
373.07047	0.4
375.08591	0.5
387.08542	0.9
389.06503	0.4
391.08237	0.4
403.08069	1.1
404.08725	0.2
415.08444	0.7
417.15683	0.2
417.28064	0.2
418.16220	0.2
419.07605	0.3
421.09247	0.3
431.07562	0.2
432.08444	2.2
433.08676	0.3
435.10739	4.0
435.28665	0.2
436.11017	0.5
447.10764	17.7
448.11093	2.0
453.30026	0.3
455.31567	0.2
465.11804	100.0
466.12149	11.8
510.24042	0.2
609.34967	0.2
627.16992	1.3
627.28278	0.8
627.37109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71178	1.7
56.96564	12.0
59.38502	1.5
59.49495	1.8
67.05495	2.3
71.29950	2.6
79.95623	2.0
84.96060	3.2
85.02901	2.1
89.82348	1.9
97.02892	3.2
98.97587	100.0
110.97594	6.2
116.98629	47.5
128.47675	1.7
128.98627	8.7
131.00197	2.6
134.99670	11.0
143.00162	2.9
143.01894	3.6
145.01735	1.9
146.99629	3.7
158.99655	51.8
161.01314	2.8
161.02908	3.5
170.99777	1.8
177.00717	65.3
184.00488	1.6
189.00717	5.2
194.96646	1.9
195.01819	5.2
196.74138	1.5
200.02303	2.8
201.39372	1.7
207.01649	2.3
207.32062	1.6
213.04350	2.0
219.01788	28.7
219.05203	2.7
223.04979	1.8
226.95441	1.8
232.96588	3.5
237.02800	14.0
243.05519	2.0
261.03104	1.8
269.99811	3.0
279.03915	4.7
282.04865	1.8
303.04303	2.8
303.07523	18.5
321.08566	23.8
326.02567	2.1
327.03085	2.3
362.58438	2.1
363.05502	7.4
363.09644	55.3
364.09961	3.1
372.05072	3.9
375.09543	3.3
381.07059	5.2
435.22754	2.0
451.41003	1.9
465.09457	9.2
465.59552	2.1
485.63525	1.9
494.63205	2.1
495.10150	3.8
567.17328	2.8
627.18970	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	627.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.2
56.96556	3.2
67.05501	2.1
69.03438	1.1
71.05001	1.3
75.57321	1.1
79.05504	1.6
81.07064	17.0
82.07388	5.7
83.04983	2.5
85.02908	3.6
86.03204	1.2
91.05471	1.5
93.07032	1.6
95.08601	4.1
107.04969	1.0
107.08614	1.8
109.02892	1.7
109.10158	1.5
111.04479	2.1
119.08598	1.2
127.03982	2.6
137.02872	1.1
137.05968	7.2
137.13255	2.9
138.13573	1.3
145.02849	1.3
145.06447	1.1
161.04893	1.9
167.07088	4.1
171.03001	1.9
171.06529	1.0
173.06070	1.4
177.05487	3.9
181.04976	2.2
187.14659	1.2
203.03552	1.1
215.09541	1.8
242.05762	1.8
257.04477	11.0
258.05231	2.1
283.09229	1.2
286.04700	6.7
287.05469	3.8
291.16318	20.6
291.19431	1.6
292.16571	1.5
297.03934	4.9
303.01163	3.3
305.02701	38.9
309.17361	4.9
319.15894	3.1
351.18448	13.6
361.20795	6.2
367.03915	1.0
373.07016	2.0
401.06830	2.3
402.07098	1.4
419.08212	1.8
433.09647	1.3
461.08704	2.9
465.11844	4.2
479.09488	2.3
541.29181	1.4
583.28967	15.6
609.28149	3.5
627.13464	11.1
627.27899	100.0
628.13739	2.6
628.28125	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	627.2809
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.57074	0.9
61.96181	0.9
67.05510	2.3
69.07061	1.3
71.30015	1.6
77.08581	1.0
79.05502	1.0
81.07047	2.2
85.06576	2.0
88.07642	1.1
91.05481	1.5
93.07053	1.0
95.08614	1.4
105.07035	2.2
107.08610	1.2
114.94489	1.0
119.08545	1.7
121.10117	1.8
123.96651	1.0
130.36102	0.9
131.07268	1.2
135.82756	1.3
174.09149	5.9
182.09735	1.1
187.12320	5.4
188.10754	2.6
207.06575	1.9
211.08736	2.4
215.11848	3.4
223.08720	1.3
225.10352	3.8
227.11896	3.9
235.08611	1.4
237.10228	1.6
239.11844	3.7
241.13368	2.4
243.11264	27.6
244.11786	1.6
249.10307	2.4
251.11929	2.4
252.08951	2.0
253.09790	2.7
253.13388	2.7
256.26584	1.6
263.11838	1.8
267.11298	6.7
268.11960	1.2
269.12897	1.9
277.09833	3.2
279.90610	1.1
283.14532	1.5
285.12350	2.6
295.10550	5.5
299.14093	1.3
300.11255	1.1
301.15622	2.0
309.12476	1.4
313.12518	1.0
314.13016	2.9
316.14609	1.8
323.14264	1.2
325.15509	11.9
327.10080	1.4
327.13663	4.3
328.10977	2.4
328.14514	1.8
329.11731	1.5
330.12521	3.5
334.15518	1.6
341.12018	1.2
342.12439	5.7
342.16168	1.8
343.13138	3.2
344.10129	1.1
344.13968	3.5
345.14737	1.4
346.15695	2.9
348.13464	5.5
353.14908	1.3
354.12619	2.1
356.14102	3.8
356.17984	1.3
357.14709	2.0
358.15607	4.5
360.17020	1.4
362.15112	1.2
370.15887	2.4
372.17093	5.2
374.14932	2.1
385.17874	1.3
386.14819	1.5
386.19083	1.9
399.10724	1.8
400.16544	4.2
403.16147	1.5
407.15283	1.9
412.16855	1.5
418.17404	1.3
420.16769	1.4
421.16803	1.9
423.18427	1.7
430.17651	1.8
431.18579	1.7
432.19101	3.7
435.13806	1.4
435.19086	2.8
436.19934	1.2
437.20270	1.4
447.22754	2.1
449.15799	1.4
450.16583	1.9
451.17361	2.8
461.18997	1.9
461.24072	2.2
462.19977	1.7
462.24875	1.6
463.22159	2.0
465.18854	15.9
466.19748	1.8
477.19421	1.8
478.20309	1.8
479.20328	6.2
480.21194	5.3
481.22406	3.8
490.20679	2.0
491.21347	1.3
492.21603	3.9
493.23117	4.9
494.22800	1.5
504.20990	1.4
506.23209	1.2
507.24152	4.7
508.21280	1.6
517.22400	1.7
535.23438	11.0
536.23511	1.3
549.24872	15.1
550.25195	2.0
553.24463	2.3
567.26007	87.5
568.26324	13.0
577.24628	3.0
595.25482	100.0
596.25769	13.4
609.26678	1.3
627.28125	40.7
628.28320	4.4
628.36658	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03850	0.9
55.01790	1.2
55.02019	0.8
55.05398	2.6
55.05686	1.4
57.03361	1.4
57.03600	0.9
67.05371	8.8
67.05775	2.8
68.64733	0.7
69.06936	2.7
69.29748	5.3
71.09417	0.8
79.05354	7.9
79.05849	1.7
81.06911	10.9
81.07447	1.8
83.04849	1.3
83.08510	1.9
83.08941	0.8
91.05326	7.0
91.05939	1.0
93.06889	8.0
95.04822	2.2
95.05400	0.9
95.08447	6.1
97.06403	1.6
105.06860	6.8
107.04842	1.1
107.08428	4.9
109.06380	2.0
109.09992	3.1
117.06843	2.5
117.07590	0.7
119.08402	5.4
121.09959	3.7
123.07905	1.1
123.11590	1.4
125.09479	0.8
129.06813	0.7
131.08389	4.4
131.18510	0.7
133.09926	3.7
133.36446	0.7
135.11517	1.9
144.07950	1.2
145.09929	3.2
147.11505	2.6
149.09497	1.1
149.13133	1.5
159.11531	1.9
161.13145	1.2
163.11165	0.8
171.11588	0.8
173.10542	0.8
173.13120	1.1
185.13049	0.9
187.14714	1.0
201.16342	0.7
219.17422	9.5
221.10417	1.2
223.12167	1.4
224.12453	0.6
235.12054	2.5
237.13681	0.8
238.14389	0.8
259.20462	0.8
261.13635	0.9
264.15012	0.7
275.20035	7.4
286.13010	0.9
290.16086	1.0
291.19577	1.1
318.15903	0.9
335.25894	7.5
338.16464	1.2
339.16071	1.3
349.23505	3.2
350.15604	0.8
351.16483	1.3
352.17505	2.1
353.17749	3.8
354.18735	1.7
355.19376	1.0
365.17590	2.9
366.19299	1.8
367.15286	0.8
367.19183	5.4
368.19989	1.0
369.21033	1.0
377.17480	1.1
378.18643	1.6
379.19263	3.1
380.20346	1.2
381.16895	3.0
381.20920	2.6
382.17426	1.5
382.21732	1.3
383.18161	1.0
383.22247	2.8
393.20926	1.3
395.18301	3.9
395.22906	1.1
396.18982	1.2
397.20389	4.0
404.19620	0.8
407.18521	1.4
409.20682	3.8
410.21161	1.5
411.22333	4.4
412.22427	2.0
421.20020	1.2
422.20578	3.2
423.22083	4.2
424.22372	2.5
425.19638	7.0
437.23303	2.8
438.20279	3.7
439.21188	6.6
440.22214	5.4
441.22852	1.1
453.23016	2.8
454.24197	1.0
469.21762	2.1
469.26599	1.7
470.22653	1.7
481.22217	1.2
483.23773	3.3
495.23700	1.0
496.24493	1.8
497.26270	11.6
498.26599	5.0
499.25992	0.9
509.25473	1.6
511.22925	1.7
512.24634	0.8
525.25232	3.4
526.25665	2.3
541.28058	12.3
542.28436	1.8
551.26520	2.7
569.23938	1.4
583.29132	15.9
584.26349	10.1
585.27063	100.0
586.27399	14.6
599.28223	1.7
609.45282	8.6
627.28174	45.7
627.44141	4.4
628.28278	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	627.2813
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05492	0.7
62.76519	0.7
67.05511	0.9
69.52044	5.1
70.02943	0.8
79.05492	0.9
105.07051	1.1
106.72496	0.9
107.08602	0.9
108.08126	0.9
120.04424	0.9
130.06508	0.9
131.07332	1.3
135.81322	0.8
136.07579	1.5
138.09108	0.9
146.09671	1.1
170.09723	0.9
174.09158	5.3
182.09802	1.0
187.08730	1.5
187.12291	4.4
188.10768	3.1
190.05095	0.9
197.10747	1.1
198.09203	0.9
199.08601	1.2
211.08635	1.7
211.12372	1.2
212.09532	1.8
213.10368	0.8
215.11856	3.4
223.08539	1.5
223.12222	0.8
224.09529	1.6
225.10176	4.0
227.11835	3.3
235.08728	2.5
235.12216	1.0
237.10213	1.6
239.11867	3.4
241.13370	3.0
243.11302	26.5
244.11584	1.3
247.95096	0.8
248.09427	1.0
249.10205	1.7
251.11763	1.8
253.09909	2.1
263.11847	0.9
265.09625	1.7
267.11258	8.7
269.12769	1.9
277.09830	2.5
285.12415	3.3
291.11325	1.7
293.12915	0.9
295.10880	3.4
299.13925	0.9
301.15353	4.8
302.13019	1.2
309.12299	2.0
313.12448	0.9
314.13007	1.7
315.13519	1.0
316.10995	1.0
316.14670	1.2
319.10599	1.7
320.10211	1.0
323.13852	0.9
325.12103	0.9
325.15527	9.7
327.13458	7.4
328.10651	1.5
328.14374	1.7
329.11685	1.7
330.12375	3.4
330.15985	1.0
331.13281	1.4
334.15582	1.1
340.14502	1.0
341.11813	1.0
342.12357	4.6
342.16083	1.9
343.13220	3.6
344.13925	5.4
345.14508	1.8
346.15558	3.4
348.13446	3.5
355.13876	1.0
356.13657	4.1
357.14883	1.8
358.15427	4.1
362.15048	1.2
368.14017	0.9
370.15552	2.6
371.16376	1.8
372.17032	5.7
373.18146	0.9
374.14676	1.3
384.17212	2.1
386.14810	2.1
386.18726	2.9
394.17578	0.8
398.15073	1.6
400.16660	1.8
403.15994	1.6
406.14758	0.8
407.14783	1.1
414.17831	0.9
416.16083	1.6
418.17798	1.8
430.17621	1.9
432.19354	4.4
433.59485	0.9
435.14029	1.9
437.20044	3.1
446.20886	1.0
447.22128	2.4
449.20325	1.5
450.16595	1.8
451.17572	2.4
460.18018	1.3
461.23782	1.9
462.24020	3.0
463.21301	2.9
465.18900	15.0
466.19476	1.7
476.20724	1.0
478.20010	1.8
479.20743	6.6
480.21414	5.6
481.22229	3.6
489.23035	1.4
491.20654	1.6
492.21735	3.3
493.22607	4.5
495.16327	1.2
502.20285	1.1
504.21396	4.5
507.24216	4.8
508.21854	1.1
517.22394	1.6
521.23108	1.1
522.23389	1.0
535.23456	7.4
536.23944	1.1
539.26630	1.1
549.24890	15.1
550.25201	2.4
553.24530	3.0
567.26013	73.2
568.26575	10.1
577.24408	3.1
595.25470	55.5
596.26007	7.5
609.27228	1.2
627.28046	100.0
628.28711	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	627.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87087	0.5
55.05517	0.8
67.05512	0.9
69.07077	0.7
69.90004	2.4
80.02443	0.5
81.07075	1.9
86.26645	0.5
95.08640	2.1
98.22677	1.1
105.07070	1.4
107.08595	0.8
107.22538	0.5
109.10182	0.7
133.10074	0.6
135.08101	0.6
138.19633	0.6
167.07057	1.0
203.05315	1.5
227.05522	0.7
229.03323	0.9
233.13768	0.5
245.06226	3.4
257.04538	0.8
271.06284	1.0
286.04648	0.9
289.05298	26.6
290.05780	0.6
343.25128	0.6
361.27142	46.5
362.27576	3.2
366.73645	0.6
379.28201	8.7
380.28522	0.8
465.12234	0.7
541.33301	1.8
583.34625	13.5
584.35217	1.8
609.32336	1.4
627.33582	100.0
628.33893	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	627.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01870	1.3
55.05513	25.2
56.05836	0.8
57.07081	0.6
65.03946	2.8
67.05505	4.8
69.03439	3.2
69.07084	3.7
70.96454	0.6
71.04991	1.0
71.06438	1.0
71.06762	0.9
79.05495	4.7
81.03419	1.6
81.07057	7.6
83.04983	100.0
83.08626	1.2
84.05327	1.7
85.02903	2.8
85.06550	2.3
91.05479	9.2
92.05777	0.6
93.07050	7.8
95.04977	4.1
95.08611	14.3
96.08915	0.7
97.02876	1.2
97.10147	0.7
101.06027	3.4
102.04699	1.1
103.05456	0.8
104.00661	0.5
105.07037	14.8
107.04957	0.8
107.08595	10.3
109.02879	2.4
109.06532	1.8
109.10153	4.8
111.04445	97.5
112.04784	1.8
113.05978	0.8
115.05462	1.7
117.07027	3.8
119.04971	0.7
119.08585	19.8
121.06506	2.7
121.10149	5.5
123.04440	1.2
123.08085	0.7
123.11707	1.6
125.06001	0.7
125.09622	0.6
127.03938	2.2
128.06250	1.2
129.05501	2.1
129.07025	3.0
130.04163	1.4
130.07751	0.9
131.08571	13.7
133.06525	1.1
133.10123	7.4
135.04408	1.0
135.08070	2.0
135.11679	2.1
135.35384	0.6
136.05165	0.9
137.05969	1.8
137.09642	1.9
137.13200	1.0
141.06975	1.2
142.07803	2.0
143.08562	8.6
144.09451	0.7
145.06473	1.0
145.10127	19.4
146.03615	0.9
146.10480	1.0
147.04387	1.9
147.08044	3.2
147.11707	5.4
148.05161	3.4
149.06041	1.2
149.09651	1.4
149.13252	2.8
151.07545	0.8
153.01868	3.0
155.08556	3.4
156.09326	1.6
157.10146	7.5
158.10869	1.0
159.08051	1.6
159.11690	9.2
161.05991	1.8
161.09627	1.8
161.13280	4.1
163.03946	1.0
163.11079	0.9
163.14906	2.2
167.07082	1.0
167.08633	0.9
168.09381	1.0
169.10107	4.3
170.10883	2.1
171.08072	1.1
171.11731	5.6
173.09634	2.0
173.13280	8.0
175.11288	2.9
175.14792	4.5
177.09183	0.7
177.12733	1.3
177.16345	1.1
179.07031	0.8
179.08531	0.7
181.10109	1.6
182.10829	0.7
183.11717	4.4
183.13835	0.8
185.09642	0.7
185.13274	6.8
187.11232	1.2
187.14822	36.1
188.15164	1.6
189.09190	0.6
189.12744	3.4
189.16373	2.9
191.14331	1.9
193.10281	0.9
195.11623	1.2
197.13248	2.8
199.11122	0.8
199.14824	5.7
201.12737	1.6
201.16393	6.9
203.03418	2.4
203.10718	0.7
203.14331	20.4
203.18109	1.3
204.14706	1.3
205.12190	0.8
205.15872	3.6
207.11768	0.7
209.13287	1.6
211.14891	2.1
213.12756	0.9
213.16373	6.9
215.14360	1.8
215.17944	1.0
217.12254	2.0
217.15863	3.7
219.13860	1.2
223.14772	1.3
225.16467	2.0
227.14304	1.5
227.17958	1.7
229.04947	3.4
229.15887	2.2
229.19374	0.8
231.13780	2.7
231.17392	1.0
233.15352	1.1
237.16451	1.3
239.17998	1.8
241.19585	1.7
242.05760	8.4
243.13841	2.1
245.15421	2.6
247.17006	0.9
251.17989	1.0
252.18047	0.6
253.04936	3.1
253.19557	1.1
257.04453	41.7
258.05206	12.6
261.14749	0.7
265.19254	0.7
267.21149	1.6
269.04471	1.1
270.05304	2.6
271.05966	1.4
281.22919	0.7
285.03952	5.3
286.04715	23.9
287.05475	13.8
288.05920	0.8
295.06204	0.9
297.03882	4.4
299.05548	1.0
301.16351	1.1
327.04907	1.6
341.06583	0.9
371.26819	0.9
373.06805	0.8
389.28458	2.8
391.30283	1.0
399.27060	0.7
403.08206	0.9
405.27820	0.9
407.29428	2.2
409.30768	0.8
414.07593	0.9
417.27948	4.2
419.29324	1.0
423.29031	0.8
425.30872	0.8
432.08536	2.2
435.10815	3.6
435.28955	8.4
436.29691	1.0
437.30637	1.9
445.27328	1.9
447.10751	16.8
448.11069	2.2
453.30090	7.1
455.31653	4.6
463.28384	2.5
465.11810	88.1
466.12109	11.6
469.29541	3.8
481.29382	3.6
499.30762	3.8
511.89307	0.7
517.31592	0.8
535.34222	1.1
545.32513	2.5
546.33710	0.6
563.33740	2.3
564.33710	0.7
565.35559	0.8
583.30396	1.1
609.34613	6.8
610.35022	1.2
627.16943	1.3
627.27618	5.1
627.35175	9.7
628.35620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03939	2.2
55.01871	2.8
55.05512	2.8
57.03438	5.1
57.07065	0.5
59.04958	0.4
61.02932	4.5
61.29453	0.4
64.26245	0.5
65.03904	0.6
67.05505	4.0
69.03430	18.1
69.07069	48.2
70.06563	0.9
70.07368	0.6
71.01322	0.6
71.05000	1.9
73.02909	2.6
73.06560	7.4
79.05492	6.3
81.03419	8.5
81.07059	10.2
83.01317	0.9
83.04939	1.3
83.08595	1.0
85.02906	41.9
85.06493	1.5
86.03235	0.9
86.09687	0.6
87.04475	2.5
91.03947	2.2
91.05481	9.1
93.06474	0.5
93.07045	10.7
95.04977	3.4
95.08602	5.3
97.02895	15.1
97.06532	14.2
97.10160	0.8
99.04469	2.7
99.08060	1.0
101.02321	0.6
103.05455	0.8
105.07029	18.1
106.07378	0.4
107.04963	1.9
107.08595	7.7
109.02874	4.8
109.06520	22.1
109.10133	3.5
111.04424	0.8
111.08060	1.4
113.05961	0.8
115.03966	0.5
115.05428	1.0
115.07571	20.6
116.07865	0.5
117.07002	5.1
119.04965	0.5
119.08577	13.9
121.06506	5.7
121.10146	7.3
123.04395	0.5
123.08019	1.7
123.11657	1.4
125.05952	0.7
125.09614	1.7
127.03907	8.2
127.07600	0.5
127.11140	1.1
128.06200	1.8
129.07014	3.8
130.07802	1.1
131.04924	0.5
131.08565	10.2
133.06464	0.5
133.10132	5.8
135.08090	2.1
135.11703	2.1
137.05962	2.9
137.09595	0.9
141.07025	2.4
141.09013	0.4
142.07745	1.1
143.08565	13.7
144.09291	0.6
145.04962	6.3
145.06200	0.7
145.10123	21.6
146.10513	0.8
147.08067	2.0
147.11687	42.8
148.12000	2.1
149.05949	0.6
149.09651	1.9
149.13251	1.3
151.07504	0.8
153.06944	0.7
154.07780	0.6
155.06013	0.4
155.08551	6.3
156.09389	0.7
157.06569	0.8
157.10136	6.8
158.10880	0.4
159.08017	1.7
159.11690	24.2
160.12309	2.2
161.09628	11.6
161.13235	3.0
163.07608	0.5
163.11150	1.5
163.14691	0.6
165.06952	0.7
165.09143	0.6
167.07120	0.7
167.08618	2.1
167.10690	17.0
168.09349	1.4
169.10130	8.2
169.12166	0.7
170.10783	0.8
171.08014	1.5
171.10210	0.5
171.11679	9.9
172.12241	0.5
173.09602	3.7
173.13261	5.5
175.11226	2.0
175.14893	0.9
177.09084	0.8
178.07845	0.9
179.08574	1.8
180.09372	0.7
181.04967	1.1
181.08626	0.5
181.10130	5.7
181.11903	0.6
181.12218	0.5
182.10791	1.2
183.11700	9.0
184.12434	1.2
185.09686	0.7
185.13240	8.9
186.13689	0.6
187.11169	1.7
187.14780	1.2
189.12737	0.6
191.08545	0.7
191.10489	0.4
192.09325	1.3
193.08560	0.8
193.10127	4.3
194.10823	1.2
195.11702	4.7
196.12450	0.9
197.09547	0.5
197.11632	0.7
197.13280	7.5
198.13972	2.2
199.11116	1.2
199.14792	7.3
201.12628	1.1
201.16354	2.2
203.18018	0.4
205.10121	1.2
206.10930	0.6
207.11702	6.7
208.12251	0.6
209.08115	0.5
209.11664	0.6
209.13301	4.3
210.13899	1.0
211.11235	1.0
211.14821	5.4
212.15547	1.4
213.12849	2.2
213.16357	7.9
214.16748	0.5
215.17920	0.8
219.11699	1.6
220.12473	1.7
221.13205	2.8
223.14824	13.2
224.15456	2.0
225.12733	1.1
225.16377	7.2
226.16852	1.2
227.14288	1.6
228.14987	0.6
229.15854	0.8
234.14044	2.7
237.12910	0.4
237.16342	1.4
238.13504	0.8
239.14375	3.9
239.17918	10.7
240.18370	0.8
241.15901	3.7
241.19548	0.8
245.15280	0.6
247.14905	0.6
249.16389	17.2
250.16788	1.3
251.17844	1.0
252.15152	0.8
257.15393	1.1
257.18945	1.6
267.17441	43.8
268.17770	3.9
269.13965	0.6
269.18976	1.2
269.22644	0.9
278.62994	0.4
279.21124	1.6
285.18484	91.9
286.18793	5.9
287.20123	4.1
297.22162	5.4
298.22510	0.6
303.19540	73.5
304.19913	5.0
305.21152	0.8
311.05484	1.3
313.21793	0.5
315.23190	7.6
316.23694	0.6
321.20615	15.0
322.20935	1.0
333.24158	1.0
363.25391	0.4
385.27505	0.7
393.27844	0.9
394.67880	0.4
411.28882	3.4
429.29996	4.2
430.30411	0.6
445.29434	0.9
447.31113	3.7
465.12238	2.4
465.32120	100.0
466.32422	11.3
510.60437	0.4
514.56079	0.4
543.33539	0.5
550.91248	0.4
573.34570	0.5
583.30585	0.7
591.35358	2.7
609.28406	0.7
627.29639	1.0
627.37671	11.8
628.37878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61220	0.8
53.03950	4.7
55.01878	6.6
55.05515	21.6
57.03441	15.9
57.07081	2.6
57.95586	0.9
65.03937	5.1
67.05508	57.3
68.05852	1.4
69.03442	1.7
69.07070	17.7
69.33846	4.5
69.34246	1.9
71.04985	1.8
77.79089	0.9
79.05496	51.6
81.03419	1.6
81.07059	71.3
82.07416	1.7
83.04988	3.8
83.08621	6.2
85.06546	3.8
91.05484	50.2
92.05808	1.1
93.07048	49.5
94.07391	1.0
95.04992	6.4
95.08610	41.7
97.06522	6.8
97.10177	4.1
98.23341	1.4
99.04481	2.1
99.08127	1.5
103.05465	1.1
105.04548	1.7
105.07034	37.1
107.04953	6.2
107.08596	24.0
107.09288	1.9
109.06524	11.2
109.10151	16.5
111.08089	2.8
115.05467	1.5
117.07037	15.0
119.08588	25.7
121.06530	2.7
121.10145	17.3
123.08105	3.0
123.11718	3.6
125.09576	1.6
128.06168	1.4
129.07004	3.6
130.07823	1.7
131.08580	23.3
133.08595	1.2
133.10132	19.5
133.11075	1.7
135.08080	4.2
135.11705	10.4
136.12036	1.9
137.09642	2.3
137.13229	1.8
141.06996	1.7
143.08569	3.8
145.06483	1.2
145.10136	14.9
147.11688	8.9
149.09647	4.1
149.13278	6.6
153.12779	1.8
155.08562	1.1
157.10126	3.5
159.11685	9.7
161.13271	5.2
163.11211	2.9
163.14859	2.3
169.10120	1.3
171.11659	3.4
173.13309	6.4
175.14842	2.0
177.12733	2.6
179.14386	1.6
180.75156	1.0
183.11713	1.4
185.13286	3.6
187.14792	1.5
197.13333	1.5
201.16415	6.1
203.14334	2.6
219.17448	100.0
220.17731	4.9
229.19560	1.4
239.18031	1.3
247.20651	2.4
257.19016	3.6
259.20602	1.3
261.22211	2.3
273.18265	1.1
275.20090	40.0
276.20367	1.7
293.21103	3.0
317.24985	1.2
335.25803	68.7
336.26166	4.8
337.27997	1.2
349.23761	13.0
350.24246	1.2
395.03818	1.0
448.97675	1.0
555.40289	1.5
609.45129	38.5
610.45282	6.6
627.46796	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.9
55.01875	17.5
55.05515	41.0
57.03435	11.3
57.07074	5.3
59.05040	1.5
65.03939	6.5
67.05508	97.9
68.05854	2.1
69.03438	4.5
69.07070	35.5
69.13334	7.5
69.13766	5.3
71.04989	4.7
77.03955	1.7
79.05499	79.8
79.22832	1.8
80.05827	1.9
81.03419	5.0
81.07062	100.0
82.05468	1.4
82.07393	1.7
83.04990	7.3
83.08620	18.3
85.06522	2.9
87.04462	1.7
89.06033	15.8
91.05483	64.2
93.07050	84.6
94.07413	2.0
95.04975	14.6
95.08611	63.8
96.03719	1.6
97.06535	23.7
97.10174	12.7
99.08130	4.2
103.05497	2.0
105.04551	2.5
105.07037	56.8
107.04963	17.8
107.08601	52.2
108.08942	1.9
109.06531	11.4
109.10159	33.4
111.08102	3.6
113.09674	1.9
115.05435	3.1
117.07031	26.2
119.08588	45.4
121.06480	2.9
121.10150	32.4
123.08083	6.5
123.11703	9.9
125.09646	7.6
128.06245	3.2
129.07007	14.1
130.07800	2.0
131.08565	36.7
133.08644	12.6
133.10139	40.5
135.08083	3.3
135.11702	20.8
137.09622	5.1
139.07539	1.6
141.06987	4.0
142.07808	3.6
143.08554	12.9
145.10129	32.3
147.08009	2.0
147.11691	24.6
149.09616	18.1
149.13284	8.9
151.11215	4.3
155.08546	7.0
157.10115	15.5
159.11707	24.9
161.09552	3.0
161.13266	12.4
162.13588	1.5
163.11214	10.0
163.14777	3.8
165.09108	2.3
165.12715	2.7
167.08580	2.8
169.10164	8.7
171.11705	13.6
173.11823	2.3
173.13229	17.5
175.11185	2.7
175.14839	5.0
177.11250	3.7
179.10864	1.8
179.14389	2.7
181.10112	4.1
183.11757	10.6
185.13235	11.8
187.11163	2.4
187.14873	6.0
189.11214	4.2
189.12755	3.1
189.16447	3.1
191.14371	1.8
192.39946	1.5
195.11751	3.3
197.13274	8.4
199.14879	6.4
201.16377	4.1
209.13234	2.1
211.14886	4.4
213.16373	6.1
215.17952	3.4
217.15860	2.0
217.19830	1.8
219.13805	1.5
219.17458	6.3
225.16298	2.5
227.12817	6.0
227.18022	1.7
229.19510	2.5
239.18002	3.8
241.19704	2.8
243.21094	3.3
247.20583	3.9
257.19067	7.3
259.20627	4.2
261.22137	7.1
267.16177	2.4
273.18552	1.9
275.20096	65.3
276.20483	4.5
277.21725	2.2
277.58499	1.8
293.21231	8.8
317.24796	2.9
321.24615	1.7
331.22473	1.7
333.24228	4.7
335.25861	42.7
336.26212	3.4
349.23697	20.8
365.28232	2.4
367.29880	2.1
371.22598	2.2
415.25125	3.8
505.35049	2.4
515.37146	3.8
517.40430	3.4
525.84821	1.5
530.40948	1.8
535.41248	4.9
553.42340	2.4
555.40387	5.9
585.26978	5.7
609.45166	44.7
610.45636	10.0
627.28693	5.4
627.46265	38.8
628.46423	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.1
53.03949	8.8
55.01875	9.7
55.05516	35.3
57.03437	11.2
57.07077	6.6
59.49430	2.6
65.03937	6.9
65.34767	2.6
67.05511	84.0
69.03447	3.4
69.07071	36.7
69.24262	16.9
71.05003	6.4
71.08635	4.3
79.05496	74.1
81.03429	4.1
81.07063	100.0
83.04988	8.3
83.08617	18.2
85.06558	5.4
89.06010	14.8
91.05488	58.7
91.06011	4.8
92.47025	3.0
93.07053	57.8
95.04966	8.9
95.08617	57.9
96.08948	3.5
97.06529	14.2
97.10181	10.6
98.71391	2.6
99.08096	5.6
105.04534	3.2
105.07027	52.9
107.04975	11.3
107.08598	52.5
109.06535	9.2
109.10155	25.9
111.08100	6.6
117.07024	27.3
119.08588	46.2
121.06451	3.1
121.10160	31.2
122.93571	2.6
123.08095	7.2
123.11710	10.9
125.09612	8.1
127.57044	2.9
129.07021	9.4
131.08562	29.5
133.08618	12.2
133.10132	36.9
135.08101	6.0
135.11699	19.2
137.09676	3.3
141.06976	4.6
142.07860	3.9
143.08586	18.1
145.10135	26.9
147.11708	32.7
149.09637	16.3
149.13280	8.7
151.11205	3.6
155.08556	8.4
157.10165	13.7
159.11705	25.7
161.13286	11.1
163.11147	4.7
163.14857	4.3
169.10191	10.1
171.10301	2.9
171.11674	15.1
173.13263	18.6
175.14845	5.4
181.10132	3.3
183.11615	5.3
185.13315	14.0
187.14847	10.4
195.11725	3.5
197.13272	4.0
199.14836	5.2
201.16403	6.3
209.13249	3.9
210.41296	2.7
211.14969	4.6
213.16428	4.4
215.18062	2.9
219.17436	6.9
227.18219	3.2
229.19579	4.4
235.14865	3.1
239.18045	5.6
247.20602	6.1
257.19016	9.6
259.20624	4.5
261.22141	7.0
267.16116	5.1
273.18484	4.4
275.20090	67.3
276.20477	6.5
277.21521	3.6
293.21130	4.8
317.24768	3.8
333.24149	3.1
335.25870	38.5
336.26163	4.7
349.23755	27.2
515.37372	3.4
517.40735	4.3
535.41907	4.4
553.42596	4.9
555.40326	7.5
585.26868	12.3
609.45074	48.1
610.45465	7.8
627.27899	8.7
627.46521	44.9
628.46198	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03941	9.4
55.01876	13.9
55.05515	42.7
57.03445	16.6
57.07072	2.4
58.06586	1.5
59.05008	2.1
65.03939	6.7
67.05510	95.2
68.05831	1.8
69.03435	3.1
69.07070	34.1
69.45794	3.0
69.46201	5.8
71.04997	7.7
72.55505	1.4
77.80258	1.3
79.05498	91.7
80.05833	2.7
81.03420	3.6
81.07059	100.0
82.07375	1.7
83.04967	11.7
83.08627	16.2
85.06561	5.8
89.06048	3.2
89.61412	1.6
91.05484	69.8
93.07048	80.1
94.07370	2.3
95.04963	13.6
95.08609	66.2
97.06541	12.6
97.10171	13.6
99.08108	3.7
103.05460	1.8
105.04532	2.6
105.07034	64.8
107.04965	15.7
107.08601	56.7
109.06515	10.1
109.10157	32.9
110.10485	1.6
111.08085	5.9
115.05460	1.8
117.07016	22.8
117.93410	1.5
118.24049	1.4
119.08585	47.7
121.06539	5.8
121.10143	33.2
123.08062	4.9
123.11716	13.3
125.09641	11.1
128.06296	3.6
129.07010	11.8
130.07774	2.2
131.08571	40.2
131.09491	3.0
132.08992	1.3
133.10132	36.1
135.08067	5.9
135.11691	18.1
137.09619	4.2
137.13286	2.1
141.06961	3.0
142.07858	1.9
143.08585	12.0
145.10144	34.1
147.08054	2.0
147.11700	24.5
149.09631	26.3
149.13277	9.3
151.11197	3.3
155.08565	6.4
156.09386	2.4
157.10117	12.9
159.08153	1.9
159.11707	23.0
161.13237	11.7
163.11166	5.0
163.14873	4.2
165.09160	2.0
165.12772	3.5
167.08582	1.9
169.10147	7.8
171.10428	1.8
171.11681	9.9
173.11852	2.6
173.13226	14.1
175.14902	3.6
177.12782	1.8
179.14258	2.1
181.10182	2.6
183.11720	8.3
184.28883	1.7
185.11803	1.8
185.13226	9.3
187.11209	2.5
187.14877	5.4
189.11226	5.4
189.12778	2.2
189.16428	1.8
191.14359	2.8
195.11728	1.8
197.13278	4.7
199.14848	6.0
201.12776	1.6
201.16470	6.1
202.13649	1.4
203.14394	2.1
209.13181	1.5
209.15395	2.6
211.14781	3.4
213.16423	3.8
215.18015	2.8
219.17458	39.3
219.19536	2.7
220.17801	2.0
225.16385	2.6
227.12787	8.5
227.17979	1.8
229.19568	4.0
233.15413	1.6
237.16470	1.5
239.17952	4.6
247.20599	4.7
253.19614	2.3
257.18994	8.5
259.20612	4.5
261.22177	5.6
265.19958	1.4
267.15530	1.3
273.18588	2.7
275.20087	64.4
276.20499	4.2
279.20917	1.7
293.21088	4.6
315.23196	1.9
333.24585	1.9
335.21729	2.5
335.25818	52.2
336.26025	3.1
349.23688	24.2
367.30142	2.5
515.37500	3.5
535.41156	4.5
545.38293	1.8
555.40326	4.3
607.12982	1.5
609.45172	54.0
610.45624	9.0
627.46368	27.3
628.46375	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	628.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	2.4
57.03435	0.7
58.99568	0.8
60.04495	0.5
61.02919	0.8
65.03923	0.7
69.03441	3.7
70.03004	0.5
70.06590	3.2
70.72723	1.1
71.64811	0.4
72.08165	1.3
73.02931	0.5
76.02238	0.8
77.03915	0.8
79.05511	0.6
81.03414	1.5
81.07052	0.9
84.04516	0.5
84.08144	0.6
85.02901	6.6
86.09692	0.6
88.04011	0.4
91.05486	8.5
93.06995	0.6
94.04176	0.5
95.04964	1.9
97.02892	2.7
100.02205	1.2
102.04668	0.7
103.05467	31.3
104.05781	0.6
105.03401	0.9
105.07043	1.6
107.04926	1.3
108.57538	0.5
109.06524	1.2
117.07023	1.3
119.04936	12.8
121.06509	1.8
122.02747	8.2
122.03642	1.5
123.04446	1.3
123.08002	0.5
127.03920	1.4
128.06212	0.5
129.07008	1.1
130.04129	0.8
131.04926	100.0
132.05237	3.4
133.01250	0.5
133.02847	12.5
133.06479	1.6
135.04379	0.5
137.02289	0.7
137.05974	29.5
145.04985	0.9
145.06459	2.6
147.04402	23.1
149.00571	2.8
149.05980	10.4
150.01297	0.6
150.06749	0.9
150.79410	0.5
151.07535	1.3
153.01810	0.8
153.05438	1.0
154.46133	0.4
155.04947	0.6
157.06465	1.0
159.04395	0.8
161.00574	1.0
161.06004	5.2
162.06732	4.7
163.07542	71.4
164.07899	1.9
165.05502	4.1
167.07042	1.1
168.27539	0.5
173.05977	4.8
177.05464	7.5
177.07898	1.3
178.00836	4.2
178.06236	0.9
179.06998	3.9
180.07851	0.7
181.03166	0.8
185.06009	3.6
191.07013	1.2
193.03198	33.4
194.03564	1.3
203.07002	1.7
203.08685	1.0
208.07094	0.5
219.08105	0.6
223.07564	0.6
229.04904	0.6
231.08080	1.1
239.07146	0.5
248.06079	0.5
249.09167	0.8
251.10301	0.6
265.05267	0.5
270.07941	0.7
277.08548	2.0
279.10168	0.5
281.11127	0.5
282.07950	5.2
284.07947	4.9
291.10138	1.0
295.09509	1.1
295.49796	0.5
297.11078	3.4
300.09109	2.2
303.04959	11.2
304.05283	11.9
305.05478	0.8
309.11206	2.3
327.12311	3.1
345.13507	0.6
466.10480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
58.99578	0.6
65.03962	0.6
65.97003	0.5
69.03439	1.0
70.06592	1.7
70.62196	0.6
70.62505	1.0
72.08167	0.9
74.43565	0.5
76.02225	1.4
79.05489	0.7
84.08163	0.7
85.02914	2.2
91.05457	3.2
93.07032	1.1
94.04216	1.7
97.02907	0.8
103.05463	2.3
105.00104	0.6
105.07021	2.4
109.06525	1.2
115.05456	0.7
117.07009	1.0
119.04949	3.5
121.06500	1.4
122.02718	3.7
122.03658	3.9
123.04433	1.2
127.03964	1.2
129.10229	0.7
129.60085	0.5
131.04935	6.1
133.06534	2.6
137.05978	100.0
138.06291	2.8
143.04898	0.7
145.06512	3.7
147.04420	13.6
149.05989	3.2
150.06693	0.7
151.07599	0.8
157.06505	0.7
161.05991	17.7
162.06656	1.1
163.07529	4.2
165.05473	0.7
169.04919	0.8
173.05986	6.6
175.07510	0.7
177.05513	0.6
178.07742	0.7
179.07062	2.8
185.05945	1.0
191.06995	2.2
191.08574	1.6
193.03232	0.6
193.08614	2.1
202.07790	1.0
203.06845	1.1
203.08546	1.5
218.07031	0.6
219.08055	3.6
231.08057	2.2
236.08153	0.6
237.09137	1.8
247.07608	1.8
248.08344	0.7
249.09087	1.7
251.10672	3.1
259.07602	0.9
265.08557	1.9
277.08640	2.9
279.10202	2.2
282.08536	0.8
291.10196	1.2
297.11234	15.9
298.11661	0.8
309.11240	5.5
315.12152	5.3
327.12292	7.8
345.13397	1.0
412.57715	0.6
430.70755	0.6
537.92041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
57.07077	32.7
58.04796	0.8
58.06593	0.9
64.25361	1.0
67.05486	2.8
69.07061	5.0
69.47250	2.6
69.47658	2.9
71.08637	27.0
73.01241	1.0
73.06554	7.8
75.47072	1.1
81.07061	2.3
83.08611	4.7
85.09720	1.5
85.10189	18.2
87.04474	5.1
87.88829	0.9
89.06033	100.0
90.06363	1.8
93.07048	1.2
95.08607	1.7
97.10178	4.7
99.11736	3.0
105.16006	1.0
107.07068	2.2
107.08578	1.2
111.11699	2.9
113.13273	1.7
117.09130	7.0
125.13261	2.0
127.14810	3.0
130.08659	1.9
131.06999	1.5
133.08604	55.1
134.08939	2.1
145.10136	0.9
175.97453	0.9
177.11212	20.4
197.22685	2.3
221.13799	4.1
241.25179	2.9
283.17410	1.6
285.27798	5.9
312.93140	1.1
327.20023	1.4
329.30539	1.8
364.19431	1.0
415.25272	3.0
611.47101	3.7
628.48462	3.7
628.57941	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2244
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
54.68459	0.4
67.05569	0.5
68.19392	0.4
69.01478	0.7
69.01883	3.4
93.07118	0.7
98.22555	1.0
105.07123	0.7
107.08607	0.6
109.32584	0.4
119.08698	0.5
123.08187	0.5
134.16684	0.4
145.10251	0.6
157.10226	0.5
167.10806	0.6
310.89871	0.5
396.12473	1.2
397.12921	2.8
398.14008	1.4
399.14557	1.7
400.15433	0.8
409.13217	0.8
410.13788	3.2
411.14417	7.1
411.19370	0.5
411.25885	0.4
412.15305	5.2
413.16064	4.4
414.16754	0.8
423.14621	1.8
424.15991	3.2
425.16287	14.8
426.16898	10.3
427.17517	4.4
428.18631	2.8
429.19122	0.7
437.16663	0.6
438.13345	2.9
438.17752	1.4
439.13602	20.0
440.14136	3.2
440.19461	6.5
441.19312	36.8
442.19547	8.2
444.18021	0.7
451.13879	0.4
451.17953	0.5
452.14551	4.3
453.15305	21.7
454.15784	8.0
455.16199	1.3
455.21823	0.6
456.17725	2.6
457.14630	0.8
463.14081	0.8
465.15103	0.6
466.17151	0.9
467.17218	25.8
468.17801	22.1
469.18701	14.7
470.19931	2.1
471.16718	1.2
472.17389	1.4
480.17279	0.7
481.14752	12.1
482.14972	4.4
483.15961	0.7
484.21793	3.0
485.17349	2.1
486.18887	1.4
494.18500	0.5
495.16803	2.1
496.17090	12.6
496.23685	0.7
497.17627	2.6
498.19202	2.5
499.19589	1.7
500.20715	4.3
501.20511	0.8
509.18298	1.6
511.19510	0.5
512.20831	4.1
513.21857	5.4
514.22174	1.3
523.19757	1.7
524.20764	0.7
525.21094	0.5
528.20087	0.9
541.20880	33.7
542.21143	6.2
553.20563	0.7
559.21881	0.6
568.20026	0.5
569.20282	100.0
570.20581	22.2
572.18353	0.8
573.23779	2.1
574.23389	0.7
597.19690	23.3
598.20117	5.3
600.21997	0.7
601.22913	10.6
602.23431	1.8
615.20276	0.7
629.22192	52.9
630.22504	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	629.2733
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.32785	0.8
55.01868	0.6
55.05516	1.6
57.07084	1.1
65.03938	0.6
67.05509	6.2
67.05845	0.8
69.07072	2.7
69.18092	4.7
71.08645	0.9
73.04768	1.8
79.05502	2.9
81.07062	5.5
83.08620	1.0
89.06047	2.2
91.05381	0.9
91.05804	2.8
93.07040	3.4
93.48315	0.7
95.05010	0.7
95.08618	4.6
97.06537	0.9
97.10163	0.6
98.23344	1.2
99.21231	0.6
105.07034	2.1
107.08617	2.2
109.10170	1.8
119.08587	1.8
121.10184	2.0
123.11752	0.7
124.22507	0.6
125.09657	0.8
131.08562	1.0
133.08620	1.4
133.10152	1.9
135.11720	1.4
147.11723	1.5
159.11671	0.7
177.11362	0.8
223.06409	1.3
225.04349	1.7
226.04338	1.0
259.20752	1.1
268.97900	0.9
275.20245	1.0
285.01120	1.2
288.83591	0.6
293.21268	1.2
299.06308	0.7
300.06079	0.7
301.43704	0.6
317.21072	1.2
333.24121	0.7
335.25732	1.1
355.07120	1.8
356.07330	1.8
371.10156	0.9
374.51062	0.7
378.85861	0.6
482.71317	0.7
517.39136	0.8
611.47162	1.3
629.27338	100.0
629.47284	14.0
630.17413	0.5
630.27655	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	629.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.9
57.03437	3.7
63.92432	2.1
65.93301	1.9
67.05508	14.3
69.07067	5.9
69.57847	1.8
71.08614	2.4
71.23386	2.4
79.05496	9.5
81.07044	11.3
83.08624	4.8
86.25429	1.8
89.06030	2.8
91.05479	8.6
93.07050	8.9
95.08599	9.0
96.08935	1.9
101.49244	1.8
105.07040	5.1
107.08611	7.7
109.10178	3.8
115.79854	2.1
119.08627	6.7
121.60496	2.0
123.11763	2.2
131.08560	2.4
133.08607	3.3
133.10139	5.9
135.11748	2.7
145.10126	2.8
149.13278	2.8
159.11729	2.0
171.11726	2.5
173.13338	2.1
178.25029	1.9
352.18161	1.9
375.99225	2.3
379.19022	3.0
394.18079	3.0
395.18698	2.1
408.19379	4.4
409.20435	12.7
409.28720	2.2
421.20340	4.5
422.20773	4.2
423.21906	17.3
424.22278	4.7
425.19763	2.4
435.22260	8.8
436.22757	3.0
437.23334	3.2
446.21030	2.0
451.21915	2.5
454.19904	5.1
461.23553	3.3
463.21277	4.4
467.21088	7.7
477.22824	8.0
478.23520	4.1
479.21875	2.1
481.22519	3.5
482.23038	4.5
483.23978	2.0
493.22269	4.3
495.24179	5.4
496.24966	2.4
508.24707	12.4
509.25613	11.9
510.26300	9.9
511.26929	13.4
525.29510	3.7
534.20135	1.9
537.24915	18.8
538.25061	3.9
541.24512	8.0
542.28833	2.5
554.25171	3.2
569.27740	22.8
570.27478	4.3
595.15613	2.1
597.26990	40.6
598.27502	5.4
601.30377	4.2
611.46362	4.3
629.29688	100.0
630.29962	16.0
630.39496	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01854	1.3
55.05510	7.3
57.03439	2.9
57.07066	1.3
58.15251	1.0
67.05511	15.5
68.05823	1.4
69.07030	15.0
71.08613	1.5
79.05498	15.2
80.05824	1.7
81.07054	13.1
83.05000	1.4
83.08619	3.3
85.54005	1.1
89.06042	2.1
91.05493	9.8
93.07043	13.1
94.07391	1.8
95.04962	1.1
95.08603	12.5
96.08945	1.5
97.06544	2.4
97.10181	1.5
105.07024	7.8
107.04948	1.8
107.08587	8.9
109.10139	5.5
110.74438	0.9
117.07017	1.9
119.08559	6.7
121.10163	4.6
122.10558	1.4
123.11713	2.5
125.09647	1.8
131.08586	4.0
132.08905	1.5
133.08635	1.4
133.10156	4.5
135.08202	1.0
135.11700	2.4
143.08588	1.0
145.10155	3.8
147.11694	3.0
149.09627	2.6
149.13300	2.1
150.10048	1.1
159.11795	1.7
161.13202	1.7
161.43126	1.0
163.11176	1.3
163.14832	1.5
165.12883	1.1
171.11591	1.2
183.11546	1.2
184.44090	1.0
187.14671	1.2
198.13556	1.1
219.17506	2.2
220.17719	2.7
225.16537	1.0
257.19055	1.2
258.19443	1.4
261.22235	1.5
275.19971	5.3
276.20425	1.7
277.21210	1.2
335.25879	4.4
336.26236	3.5
337.26834	2.6
349.23795	1.6
350.24152	2.2
353.17508	1.9
379.15387	1.7
379.19693	2.3
380.16449	1.3
392.20016	1.1
393.16919	2.0
395.18564	1.9
407.18884	2.6
408.19260	3.1
409.20477	7.1
420.19284	1.4
421.20303	3.3
422.20877	4.3
423.17258	1.3
423.22031	13.1
424.22552	2.4
435.21811	4.9
436.22592	2.7
437.23370	3.1
446.20367	1.6
449.23495	1.4
451.21298	2.2
454.20319	3.7
461.23712	2.7
463.21017	3.2
467.20465	5.3
468.21646	1.5
476.21970	1.6
477.22913	3.6
478.24030	1.4
479.20779	1.4
481.22360	2.0
482.23102	3.7
483.24100	1.3
493.22278	2.2
494.22910	1.4
495.23972	3.9
508.25034	8.2
509.25745	11.3
510.26428	9.5
511.27127	10.6
519.23950	1.6
525.28650	3.3
537.25061	20.5
538.25470	4.3
541.24152	6.1
542.28992	3.0
554.25000	1.4
569.27631	22.8
570.28021	3.1
597.27087	43.3
598.27374	7.0
601.30450	2.9
610.45135	1.8
611.46179	6.1
628.46649	1.5
629.29700	100.0
629.47034	5.5
630.29968	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	630.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27108	0.8
55.01851	0.8
57.03420	1.3
57.78627	0.4
60.04506	0.8
61.02919	0.8
64.26298	0.6
67.01858	2.1
68.99770	1.1
69.03431	3.5
70.06552	0.7
70.93748	1.3
72.08142	0.5
73.02921	0.7
79.05490	1.0
81.03404	1.9
81.07046	1.1
82.90422	0.5
85.02908	9.8
86.09702	0.7
89.03919	0.8
91.05432	0.6
93.07041	1.3
95.04949	0.6
95.08635	0.9
97.02889	3.9
99.04452	0.7
103.11568	0.6
105.07010	1.2
109.02907	1.4
111.00813	1.2
111.04452	1.5
117.03350	1.4
119.04926	0.5
119.08595	0.6
121.06491	0.6
121.10119	1.3
123.04395	1.6
127.03941	2.8
131.04927	0.5
135.04396	2.2
136.07536	0.9
137.02341	0.9
137.05943	1.7
145.02849	2.7
145.04965	2.3
153.01833	51.7
154.02182	1.0
159.04420	0.7
163.03908	25.8
164.04282	0.7
171.02887	9.3
177.05511	0.6
179.03394	4.3
181.04848	0.6
187.03888	1.0
271.06015	1.3
289.07065	100.0
290.07416	5.9
315.08371	0.8
355.08228	0.6
430.41772	0.5
451.12256	2.3
519.59259	0.5
639.95068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.05501	0.9
61.02927	0.7
67.01854	1.2
67.05510	1.0
68.99789	1.1
69.03431	3.0
69.07066	1.2
70.06584	1.1
71.04989	0.9
71.30580	0.7
79.05495	1.5
81.03407	2.9
81.07051	2.6
83.04981	1.0
85.02903	5.8
85.06512	0.8
86.09710	0.7
89.03902	0.7
91.05458	1.4
93.07038	2.2
95.04969	2.5
95.08601	1.9
97.02895	3.4
97.06513	1.9
99.04491	0.7
105.07026	2.2
107.05000	1.3
107.08590	1.3
109.02898	3.0
109.06538	0.9
111.00816	0.7
111.04427	1.0
111.08083	1.1
115.07540	0.6
117.03381	1.5
119.08578	1.3
121.06541	1.9
123.04409	1.7
125.11645	0.6
126.91854	0.6
127.03918	3.6
131.04933	0.8
131.75652	0.6
133.06448	0.6
133.10161	0.9
135.04362	3.4
135.07994	0.8
137.05988	1.2
143.07066	0.6
143.08528	0.6
145.02840	3.6
145.04941	1.2
145.10193	0.7
147.11697	1.3
151.03905	1.0
151.07474	0.9
153.01830	43.5
154.02141	1.1
161.06065	1.1
163.03909	29.0
164.04243	0.8
167.07068	0.8
169.12251	1.0
171.02927	3.7
175.07547	0.7
175.11241	1.1
177.05510	0.8
179.03387	3.3
187.05949	0.9
193.12213	0.7
195.02878	2.0
199.11214	1.0
205.04956	0.9
211.13196	1.0
217.12234	1.6
231.05057	0.7
235.13283	1.6
253.14326	3.6
253.74306	0.6
271.05951	1.2
271.15366	0.7
271.93472	0.6
289.07068	100.0
290.07349	5.4
331.08102	1.0
397.18689	0.9
451.12259	1.9
496.95215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
55.01879	32.5
55.05508	13.2
57.03419	5.0
57.68360	3.3
61.02922	8.2
67.05504	25.6
69.03444	4.0
69.07059	23.2
69.14220	30.1
71.01355	5.0
71.04987	16.6
73.02909	7.8
73.56870	3.4
79.05492	22.5
81.07056	81.7
83.01334	5.9
83.04984	36.1
83.08595	5.2
85.06541	10.3
91.05489	17.6
93.07047	62.1
95.04959	33.6
95.08603	41.4
97.06530	43.5
99.04440	16.1
101.02370	24.2
105.07027	57.3
107.08609	42.1
107.49771	3.3
109.06519	41.5
109.10144	10.3
111.00805	13.5
111.08074	68.8
114.24348	3.3
115.03939	8.8
119.08569	33.8
121.06518	49.7
121.10140	8.4
123.04414	4.7
123.08057	7.4
123.11716	26.7
125.06004	12.6
127.07551	14.2
129.01826	12.8
129.07033	4.1
131.08565	5.4
133.06511	7.7
133.10130	41.4
135.04362	4.6
135.08064	29.3
139.07544	23.2
142.07803	4.7
143.03389	14.3
143.07002	5.8
143.08528	6.7
143.36049	3.8
145.10086	9.0
147.02832	4.2
147.08044	5.2
147.11696	84.6
149.13260	10.2
151.11154	21.5
157.01410	3.7
157.08640	10.6
157.10110	19.0
159.06523	7.2
161.04457	77.5
161.13211	9.7
165.12761	45.6
169.12242	64.5
171.02888	14.9
171.11703	13.5
175.11185	69.4
176.11537	4.1
189.03828	8.3
189.12770	33.9
193.12241	85.8
199.11179	20.4
207.13762	11.5
211.13304	82.8
215.09099	3.5
217.12227	59.9
229.14357	9.9
231.05014	48.4
235.13301	63.7
243.08542	10.2
253.14369	60.0
257.10159	6.8
271.15277	5.5
311.14899	23.2
325.16562	5.5
329.15897	62.0
335.14832	10.1
353.15936	100.0
354.16058	5.2
371.17029	42.3
381.15503	5.1
399.16449	38.4
417.17685	11.3
423.16223	16.9
441.17661	20.2
541.18817	11.6
559.20374	24.2
577.21307	7.3
580.59735	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	630.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32713	2.3
51.75924	2.1
53.03916	2.6
53.44590	2.0
55.01872	37.5
55.05503	9.2
57.03444	6.3
61.02920	9.4
65.03939	2.7
67.05505	28.1
69.03434	10.1
69.07064	19.6
69.31346	14.9
69.31760	3.9
70.06590	3.9
71.04991	16.1
72.08165	3.3
73.02925	15.3
79.05488	28.6
81.03391	4.6
81.07056	78.8
83.01339	13.9
83.04981	41.6
83.08621	8.3
84.08118	2.5
85.02897	13.0
85.06557	13.7
87.04468	4.6
91.05467	26.5
92.20789	2.5
93.07044	80.0
94.07368	2.8
95.04970	37.0
95.08608	42.1
97.02885	3.9
97.06532	40.8
98.22651	3.7
99.04456	19.4
101.02348	21.5
105.07034	64.7
107.04978	8.1
107.08587	48.4
109.02869	4.4
109.06515	31.7
109.10152	13.4
111.00799	17.1
111.04433	4.3
111.08078	76.9
113.06010	5.8
115.03928	9.6
115.07558	3.2
117.07024	4.1
119.03391	3.3
119.04945	4.0
119.08576	37.8
121.06498	45.2
121.10145	16.7
123.04472	4.0
123.08062	15.3
123.11706	38.3
124.07554	2.6
125.05992	16.2
127.03915	6.1
127.07537	12.9
129.01842	8.7
129.07005	5.4
131.08548	8.1
133.04961	5.4
133.06528	7.0
133.10124	38.6
135.04440	3.0
135.08054	23.1
135.11617	3.6
136.07549	4.2
137.05991	6.6
139.07529	23.7
142.07791	2.7
143.03400	12.9
143.07027	4.5
143.08537	5.0
145.04987	2.6
145.06450	2.6
145.10129	14.6
147.08060	7.2
147.11681	86.1
148.12010	3.5
149.05945	2.7
149.09641	7.6
149.13266	10.3
151.07513	4.6
151.11180	19.8
153.01854	2.6
156.09413	2.5
157.01357	4.9
157.08768	5.2
157.10144	16.7
159.06598	5.7
159.07912	2.4
161.04457	100.0
161.05795	4.5
161.13271	7.5
163.11209	14.4
164.07133	3.2
165.12762	41.7
167.07027	3.3
167.10689	8.6
167.14325	7.2
169.08583	3.7
169.12234	61.2
170.12503	2.9
171.02882	21.2
171.11664	11.3
173.13358	3.1
175.11183	54.7
177.05428	3.5
179.54262	2.4
181.12332	3.1
185.11737	3.0
185.15359	11.3
187.05980	2.3
189.03954	8.4
189.12737	22.6
191.10605	11.3
193.12231	73.8
194.12587	3.8
199.11182	18.1
207.13771	6.5
209.11700	4.9
209.15331	2.2
211.13289	98.3
212.13663	3.1
217.12242	48.6
219.96724	2.2
227.12770	12.8
229.14394	10.4
231.04996	51.9
235.13290	57.8
243.08682	10.4
249.06108	3.2
253.14326	58.4
254.14708	3.7
257.10156	9.1
259.08170	4.6
271.15430	3.3
289.07196	6.4
293.13748	3.6
311.11639	3.2
311.14908	21.1
325.16412	5.4
329.15967	44.8
335.14716	12.7
336.15497	3.0
353.15933	82.4
354.16284	4.7
369.35074	2.2
371.12881	2.7
371.17096	28.6
381.15332	5.0
397.14798	8.7
399.16443	44.6
400.16705	4.2
415.15768	3.5
417.17657	9.0
423.16312	9.8
441.17627	11.8
507.67474	2.5
541.19293	16.9
551.50549	2.5
559.20294	16.9
569.68817	2.5
577.21265	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	630.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.1
55.01869	9.4
57.03435	8.6
61.02927	9.3
67.05513	6.6
69.03427	46.0
71.04981	8.7
71.29754	4.7
73.02904	4.2
79.05499	8.3
81.03416	30.0
83.05003	6.3
85.02908	100.0
85.06532	8.1
87.00842	40.7
91.05492	13.9
93.07025	9.1
95.05000	5.1
95.08611	4.6
97.02892	33.4
99.04474	12.7
105.01880	56.8
105.07033	7.4
107.04939	4.7
109.02896	32.8
117.07053	4.4
119.08577	5.9
121.06522	7.3
127.03918	65.0
127.24098	3.1
128.06226	9.7
129.01865	5.7
129.06992	6.1
131.04930	3.9
131.08571	5.9
133.10162	5.8
137.40596	3.4
141.07001	4.4
142.07680	3.4
143.08548	7.7
145.04942	20.7
145.06546	4.9
145.10176	3.6
155.08543	4.3
157.10126	4.3
159.02917	12.4
159.08067	3.9
161.09567	3.4
167.06946	3.8
171.08095	9.9
174.14725	3.3
189.04028	3.9
199.11046	4.1
203.14325	4.8
206.31372	3.3
213.03935	4.6
221.15414	4.6
221.69318	3.7
231.04994	16.3
245.15210	3.8
249.06226	5.1
283.88666	3.4
406.10263	10.8
417.75037	3.4
433.11255	3.5
475.61514	3.9
487.55585	4.2
576.39264	4.2
611.61340	4.4
620.39563	4.4
631.17682	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	630.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
53.03944	0.3
55.05517	0.4
63.02372	0.2
65.03942	0.7
67.05505	0.7
68.68681	0.1
69.03441	0.3
69.07077	0.2
71.32047	0.2
72.04517	2.0
72.04887	0.2
72.08150	0.3
79.05495	1.2
81.03415	0.4
81.07053	0.8
83.04990	0.2
83.08631	0.1
85.02893	0.3
89.03919	3.1
91.05482	5.5
92.05804	0.3
93.07047	0.6
95.08608	0.5
97.06532	0.2
100.07613	2.3
101.07158	0.1
105.03399	1.4
105.04494	0.1
105.07040	0.5
107.04951	1.6
107.08594	0.4
109.06586	0.1
109.10124	0.2
117.07069	0.3
118.04155	0.2
119.04945	13.9
119.08585	0.4
120.05296	0.4
121.10164	0.4
125.05988	0.2
127.03938	0.1
131.08537	0.2
133.10205	0.2
135.04419	49.2
135.11633	0.2
136.04762	1.1
145.10098	0.2
157.75752	0.1
159.11693	0.1
165.09138	0.2
178.12248	0.5
190.12273	0.6
191.12982	0.4
208.13329	100.0
209.13667	3.8
250.14366	0.3
352.17377	0.2
370.18466	0.4
381.07767	0.1
399.21536	0.1
507.72574	0.1
554.21704	0.2
630.39532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03357	1.2
55.05524	2.0
57.07079	34.9
59.05005	1.0
69.07076	2.5
69.19921	7.2
71.08635	25.8
72.08989	1.2
73.06558	9.9
76.97128	1.0
83.08640	3.2
85.10180	18.9
87.04478	7.4
87.04937	1.2
87.70486	1.0
89.06033	100.0
90.06316	1.2
97.10181	3.7
99.11744	3.8
105.07076	1.6
107.07049	3.5
113.13306	1.9
117.09123	7.3
119.08576	1.5
121.10123	1.1
130.08606	1.7
130.75497	1.1
131.07045	1.6
133.08609	49.5
135.10176	1.1
145.61992	1.1
155.17918	5.1
161.11746	1.3
175.09712	2.1
177.11230	21.8
199.20583	3.3
221.13829	3.1
232.65569	1.0
239.14903	1.5
243.23158	8.0
265.16196	1.3
283.17627	1.7
287.25888	3.7
312.56512	1.0
459.28073	1.5
529.13312	1.2
613.44684	2.8
631.41144	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	631.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01860	1.4
55.05513	14.8
57.03450	1.5
65.03934	2.0
67.05502	12.6
69.03431	8.3
69.06770	1.1
69.07072	7.4
71.04994	5.2
73.02928	3.3
76.03005	1.2
79.05492	9.6
81.03420	3.8
81.07063	19.1
83.04986	58.4
83.08620	2.9
85.02928	5.7
85.06581	1.4
91.05479	13.2
93.07050	22.4
95.04974	12.0
95.08611	42.4
97.02911	9.6
97.06540	4.5
97.10157	1.3
98.22552	3.8
99.04462	4.2
101.06004	1.5
105.07037	31.6
106.07364	1.3
107.08604	22.7
109.06541	4.6
109.10167	13.6
111.04449	100.0
111.08125	2.0
112.04805	1.5
113.06024	2.9
115.03946	1.3
115.05511	2.2
117.05553	1.3
117.07029	5.5
119.08586	48.5
121.06532	6.1
121.10155	14.1
121.50022	1.1
123.08075	6.4
123.11726	3.4
127.03950	1.2
128.06248	1.5
129.05499	7.1
129.07028	5.9
131.08577	20.1
133.06468	3.2
133.10143	20.1
135.08070	5.5
135.11700	7.9
137.05989	1.5
137.09639	3.8
141.06978	1.3
142.07790	2.9
143.08563	15.2
144.09320	2.3
145.10133	33.2
147.08083	7.6
147.11679	15.4
149.09628	5.8
149.13260	5.6
155.08531	6.9
157.10133	15.6
158.10852	1.5
159.08096	2.5
159.11694	20.7
160.12057	1.2
161.09637	3.6
161.13278	11.5
163.11249	2.1
163.14861	5.2
167.06947	1.2
169.10135	4.9
170.10924	1.9
171.06548	2.7
171.11705	10.0
173.09641	2.5
173.13274	14.1
175.11212	2.5
175.14815	12.6
177.12825	1.9
177.16397	4.3
182.10855	1.6
183.11702	6.3
185.13286	8.9
187.14828	37.6
188.15222	2.5
189.07591	16.6
189.12767	6.5
189.16423	9.8
191.14285	4.3
195.11763	1.6
197.13333	5.9
199.14801	12.3
201.12805	2.9
201.16402	14.8
203.12408	1.6
203.14311	28.0
203.16083	2.2
203.17924	2.2
204.14696	1.5
205.15997	8.3
211.14839	4.8
213.12828	2.5
213.16376	10.1
215.14380	6.6
215.17929	2.4
217.15836	6.6
218.16385	1.6
219.17400	2.1
221.13359	2.2
221.15443	1.5
225.07684	2.2
225.16327	2.9
227.18010	4.1
229.15848	6.5
230.21463	1.5
231.17430	4.5
233.15355	3.6
237.16379	2.4
239.17909	1.9
241.15950	2.1
241.19426	1.5
243.17365	2.0
245.15514	2.0
247.17055	3.1
251.17912	1.9
253.19586	1.7
281.22510	1.3
287.05164	1.5
319.20810	1.3
322.85226	1.1
365.29086	1.2
371.25674	1.4
391.30081	1.6
403.29990	5.9
405.31577	2.7
421.31149	5.6
423.32684	3.8
431.29504	1.8
437.30469	1.6
439.31689	1.8
449.30573	5.4
455.31601	67.8
456.31924	8.9
467.31665	16.2
468.31635	1.7
469.33319	1.6
485.22855	1.6
485.24680	1.6
485.32645	28.5
486.32956	2.8
595.35980	5.4
596.36664	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01873	2.4
55.05513	17.5
56.12073	1.1
61.02928	1.2
65.03948	1.6
67.05508	10.1
69.03417	5.6
69.07066	4.4
70.24300	1.0
71.04993	3.5
73.02922	3.2
79.05493	7.7
81.03424	3.0
81.07057	17.7
83.04982	50.8
83.08609	3.2
85.02908	4.9
91.05474	12.6
93.07040	18.2
95.04973	12.4
95.08607	37.2
97.02909	7.8
97.06525	2.8
97.10142	1.3
98.41676	1.1
99.04456	3.3
103.05442	1.5
105.07030	22.7
107.08592	18.6
109.06506	3.5
109.10146	13.6
111.04443	100.0
111.08082	2.9
113.05981	2.2
115.03950	1.7
115.05491	1.8
117.07026	4.1
119.08585	40.8
120.08946	1.2
121.06516	3.6
121.10151	13.5
123.08085	3.0
123.11713	3.1
125.09662	1.5
128.06239	1.6
129.05478	7.3
129.06949	5.3
131.08574	18.4
133.06436	2.6
133.10124	17.7
135.08057	5.3
135.11708	4.9
137.09625	3.0
142.07759	2.1
143.08559	11.3
144.09262	1.4
145.06500	1.6
145.10120	27.7
146.10469	2.1
147.08078	5.2
147.11702	10.6
149.09653	4.9
149.13245	5.0
151.11180	1.5
155.08557	3.1
157.09026	1.9
157.10138	14.5
159.08032	2.0
159.11705	19.0
161.09605	4.0
161.13274	10.2
163.07492	1.5
163.11194	2.5
163.14862	4.7
165.12749	1.2
167.07065	1.5
169.10110	5.0
170.10893	1.4
171.06523	1.8
171.11691	6.2
173.09607	1.8
173.13260	10.9
175.07719	1.2
175.11151	2.1
175.14796	11.9
177.12888	1.4
177.16428	2.9
179.04657	1.2
179.14433	1.3
182.10962	2.1
183.11737	4.4
185.13297	8.4
187.11189	2.3
187.14825	35.6
188.15300	1.5
189.07623	13.2
189.12724	5.5
189.16371	8.3
191.14317	4.7
193.08553	1.5
195.11642	1.9
197.13300	3.8
199.14809	9.4
201.12718	1.6
201.16417	11.5
203.14316	27.1
203.17982	2.6
204.14697	1.6
205.15855	7.1
211.14894	1.7
213.16406	11.0
214.62448	1.1
215.14275	5.6
215.17961	3.1
217.15907	10.6
219.17395	1.2
221.15518	1.7
223.14793	2.6
225.07495	1.5
225.16383	2.1
227.14276	1.5
227.17917	4.8
229.15929	5.7
230.59911	1.2
231.17484	5.0
231.21135	1.2
233.15387	3.6
235.17081	1.4
237.16290	1.8
239.17993	2.4
241.19524	1.6
245.15326	1.5
247.16966	2.5
253.19458	1.8
257.18860	1.9
257.22559	1.6
267.21173	1.3
387.29953	1.5
391.29980	2.8
393.31711	1.3
403.30014	5.7
405.31586	3.0
409.30951	2.0
420.30255	1.2
421.30734	6.2
423.32596	2.5
431.29404	2.5
439.31836	2.0
449.30316	5.9
451.32272	1.4
455.31552	67.3
456.31805	6.1
467.31580	19.3
468.31805	1.3
485.22861	2.3
485.32651	26.1
486.32809	3.2
503.33594	2.3
524.73529	1.4
595.36298	5.2
596.36334	1.3
631.33105	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	631.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.6
57.03440	2.3
57.07067	3.8
59.05009	1.7
65.03937	1.9
67.05507	11.3
69.03434	5.7
69.04921	19.3
69.07076	4.1
79.05492	12.4
81.07066	10.8
83.04998	5.3
83.08615	2.9
85.06547	4.0
89.06029	1.8
91.05496	13.0
93.07050	9.3
95.04985	4.4
95.08626	9.0
97.34241	1.5
105.07032	15.1
107.04951	4.7
107.08605	24.0
109.06512	4.3
109.10130	10.6
117.07050	4.0
119.04945	4.6
119.08601	11.9
121.06538	2.8
121.10139	14.8
121.70817	1.6
122.07288	7.1
123.08075	3.3
131.08569	6.1
133.10135	100.0
134.10565	2.5
135.04428	23.7
135.08069	10.2
135.11705	3.7
137.08621	3.8
137.09624	59.1
143.08597	2.8
145.10141	4.9
147.11655	4.2
149.09666	2.6
149.13283	8.2
151.07539	3.0
151.11169	2.4
153.09093	2.0
157.10117	2.0
159.11685	4.0
161.13232	2.3
163.11220	5.8
163.14799	3.0
165.09032	2.8
171.11725	2.5
173.13297	5.2
173.91182	1.8
181.12239	6.3
191.14330	36.7
192.14635	3.9
208.13342	42.4
209.13330	2.3
209.15300	3.1
211.13339	3.7
216.19112	1.8
221.15414	5.9
233.47267	2.0
251.16432	2.5
537.22638	3.9
555.23688	4.3
581.21582	7.7
582.21515	3.3
587.26447	2.8
599.22772	2.3
631.25531	28.2
631.37061	2.6
632.25281	6.2
633.32507	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.5
60.60227	0.6
65.14069	0.6
67.46797	0.5
69.03548	5.7
76.32578	0.5
78.13485	0.5
79.05500	0.6
81.03435	0.6
81.07069	0.9
84.96020	0.6
85.02926	1.1
88.11383	0.5
89.84386	0.5
91.05453	0.8
93.07067	0.9
95.04975	0.6
95.08605	1.1
97.02871	0.6
98.22573	1.3
98.97621	1.8
109.06509	0.6
109.10179	0.5
110.94107	0.5
112.99194	0.7
119.08600	1.1
121.10186	0.7
123.08183	0.5
131.00165	0.6
131.08565	0.6
133.10136	0.6
145.10161	0.6
157.10091	0.7
177.00746	1.3
253.14868	1.9
264.26495	0.5
271.15857	1.1
287.05685	0.6
305.02716	2.8
321.20938	0.7
337.24292	1.8
339.22141	1.2
341.10754	0.6
349.24139	0.8
355.25314	1.5
365.23712	0.8
367.25360	1.9
385.26627	2.1
397.26321	4.3
427.27655	1.4
439.27390	0.7
529.30505	1.1
547.31677	4.3
548.32043	0.9
589.33319	11.3
590.33759	1.2
615.31116	3.9
616.31879	0.9
633.32489	100.0
634.32758	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	633.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01878	3.9
55.05511	12.6
57.07068	10.9
59.05000	3.0
65.03934	4.8
67.05512	27.1
69.03432	9.0
69.07066	14.4
71.04998	5.8
71.30653	3.0
79.05495	25.5
81.07050	36.6
83.04964	13.1
83.08618	8.6
85.06568	7.3
91.05486	46.5
93.07041	56.5
94.07365	3.6
95.04987	41.1
95.08611	33.7
97.06543	11.3
103.05459	3.9
104.99288	3.0
105.07037	78.6
107.04875	3.8
107.07951	5.0
107.08616	54.0
109.06537	31.2
109.10165	21.4
111.04462	4.3
115.05482	4.1
117.07034	18.8
119.08582	64.2
121.06509	14.2
121.10146	53.6
123.08057	37.4
123.11723	4.3
125.05998	9.8
125.09666	9.1
128.06229	12.2
129.07027	15.4
130.07730	6.5
131.08571	34.4
133.06496	6.5
133.10139	37.6
135.08063	21.8
135.11719	9.0
137.09602	25.0
141.07039	7.0
142.07813	17.1
143.08563	41.0
144.09335	7.3
145.06462	4.5
145.10129	51.4
146.07082	2.9
147.08070	32.2
147.11682	16.2
149.09595	17.2
151.07535	36.5
154.07828	3.4
155.08580	18.3
156.09337	10.6
157.10161	44.3
158.10944	4.1
159.08063	14.7
159.11697	27.5
160.08737	4.3
161.09593	20.9
161.13255	9.1
163.11189	23.0
165.07021	6.9
165.09122	46.7
167.08499	7.9
167.10712	25.4
168.09363	8.5
169.10074	19.4
170.10899	9.1
171.08046	3.5
171.11705	27.8
173.09622	15.8
173.13240	9.0
175.11217	19.7
175.14903	4.4
177.09116	5.1
177.12788	3.7
179.08597	9.7
179.10657	5.6
180.09355	6.6
180.11436	3.5
181.10130	9.7
181.12178	17.8
182.10886	8.1
182.12495	3.6
183.11661	24.8
184.12425	4.9
185.09605	8.5
185.13260	15.2
187.11255	16.7
189.12755	16.2
190.13533	8.4
191.14388	4.8
193.10176	9.9
193.12204	7.1
195.11714	13.8
196.12515	5.0
197.09625	4.0
197.13304	17.9
199.09279	3.3
199.11168	9.8
199.14883	7.8
200.11952	4.6
201.12785	12.2
203.14310	19.0
205.10194	3.7
206.10991	4.0
207.11699	8.6
207.13840	15.1
208.12384	3.2
208.14525	7.3
209.11536	5.0
209.13306	15.1
209.15312	7.3
211.11194	4.3
211.14815	11.2
213.12762	7.7
215.14354	8.0
219.13795	7.8
221.13303	8.5
221.15347	100.0
222.15854	4.3
223.11311	3.4
223.14787	5.1
225.12712	3.7
225.16429	9.6
227.14284	9.2
233.13182	8.1
233.15424	13.5
234.16005	7.1
237.12677	6.9
247.14723	4.1
247.16985	7.6
253.16037	7.6
265.15918	4.1
271.17023	15.6
286.19312	72.0
287.19907	12.6
299.20102	8.0
300.20917	5.9
312.20905	4.2
313.21643	3.2
317.79187	3.2
325.21716	4.0
352.23834	7.0
365.24808	6.1
393.24152	7.2
435.28815	13.7
463.44241	3.7
600.41150	4.4
615.41400	4.7
616.40753	3.9
633.31641	4.4
633.41620	54.1
634.41528	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	633.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01871	3.0
55.05510	9.0
57.03434	1.8
57.07082	9.8
59.04990	4.7
65.03950	2.0
67.05509	13.5
69.03452	8.8
69.07079	10.1
70.07953	1.7
70.45697	3.4
70.46025	3.7
71.04986	2.3
77.03944	2.8
79.05496	21.1
80.06279	2.1
81.03447	2.2
81.07061	23.1
83.04969	10.8
83.08612	4.8
85.06538	4.4
91.05482	38.7
92.06303	2.1
93.07049	43.1
95.04971	26.5
95.08614	25.3
97.06548	8.8
105.07038	55.0
107.04987	2.6
107.08591	35.6
109.02872	2.0
109.06528	25.1
109.10151	9.7
111.04447	1.7
111.08116	3.8
115.05453	4.0
116.06313	2.3
117.07027	12.3
119.07771	3.8
119.08591	51.9
119.09443	2.9
120.09396	1.8
121.06532	11.4
121.10154	28.5
122.10512	2.3
123.08076	29.7
123.11747	2.3
125.06019	6.2
125.09647	7.5
128.06200	12.0
129.07002	14.0
130.07825	5.0
131.08580	25.9
132.09006	1.6
133.06529	4.7
133.10139	24.3
135.08037	22.5
135.11705	6.0
136.08679	1.6
137.05978	2.6
137.09622	15.0
139.07614	2.2
139.11214	2.5
141.07010	7.6
142.07762	10.7
143.08585	27.8
144.09305	5.8
145.06499	3.7
145.10141	34.0
147.08049	28.3
147.11700	7.8
149.09628	12.6
151.07542	31.2
151.11221	2.7
153.86273	1.7
154.07774	5.6
155.08600	11.5
156.09393	8.2
157.10144	26.8
158.10840	5.0
159.08066	15.1
159.11710	22.5
160.08900	2.9
161.09612	15.2
161.13309	6.1
163.11179	17.3
165.07010	4.1
165.09103	36.1
166.07893	1.8
167.08582	6.7
167.10687	16.5
168.09416	4.0
168.86319	1.8
169.10124	16.5
170.10887	2.9
171.07977	2.4
171.11703	19.3
172.08853	1.7
172.12183	2.1
173.09602	8.5
173.13260	9.2
175.11172	12.9
175.14825	3.5
177.09100	3.0
177.12776	3.2
178.07787	2.6
178.09969	2.0
179.08589	7.0
179.10713	4.1
180.09344	2.9
181.10112	8.7
181.12234	11.5
182.10909	7.1
183.08089	3.0
183.11714	20.9
184.12352	2.6
185.09648	9.8
185.13239	9.6
187.11224	12.5
187.14796	2.7
188.12134	2.1
189.12741	13.1
190.13538	5.7
191.10722	3.4
191.14308	3.4
192.09409	3.2
192.11441	2.2
193.10165	5.9
193.12257	5.9
194.10884	2.8
195.11737	10.9
195.13412	1.8
196.12350	2.5
197.09514	4.9
197.13261	12.1
199.11177	9.7
199.14847	5.0
200.11981	2.1
201.12753	9.9
203.10881	2.5
203.14328	17.0
205.10275	1.7
206.10945	2.8
207.11761	6.5
207.13834	16.0
208.12434	2.6
208.14465	5.4
209.11589	3.8
209.13292	8.9
209.15388	6.1
210.10468	2.7
211.11179	8.2
211.14876	6.0
212.11769	2.5
213.12747	8.9
213.16217	2.1
215.14391	5.5
217.10165	2.7
217.12088	3.0
219.11723	4.7
219.13873	6.0
221.13321	5.5
221.15361	86.2
222.15762	4.4
223.11212	2.9
223.14865	5.7
225.12807	5.7
225.16379	12.5
226.13681	2.2
227.14313	7.8
229.12164	2.6
229.15929	2.0
230.13095	2.3
233.06927	1.9
233.13290	3.3
233.15309	9.7
234.16154	10.2
235.14763	4.1
235.16960	4.4
237.14775	4.0
239.14359	3.1
245.13277	3.9
246.14143	2.2
247.14851	3.1
247.17119	5.2
250.15645	4.1
253.15897	6.6
255.13901	2.2
255.17464	2.9
265.16046	2.3
268.18195	3.1
269.19077	2.8
271.14572	2.7
271.17017	20.3
274.19269	2.8
279.17545	2.9
281.18982	3.8
285.18555	4.7
286.19269	100.0
287.19946	14.3
297.18521	2.3
298.19305	2.1
299.20169	9.9
300.20764	4.6
303.19635	1.9
312.20831	6.2
313.21469	3.7
315.19604	2.7
325.21646	4.9
352.23953	6.7
355.23026	2.0
365.24683	6.3
379.26273	4.8
391.26324	2.5
393.24075	11.7
435.28876	15.6
456.28723	2.0
473.30167	2.8
493.33228	2.7
520.35553	4.4
536.35022	2.2
553.35815	2.3
573.39728	3.4
599.40588	2.6
600.40631	2.0
615.40533	4.2
633.31354	3.6
633.41510	49.6
634.41699	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	633.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.05515	11.2
57.07072	4.7
59.04998	2.7
67.05515	29.6
69.03429	7.0
69.07075	16.0
69.10689	2.3
69.11022	16.2
70.36929	1.5
71.05002	3.4
71.08641	1.8
74.70008	1.7
79.05501	9.9
81.03400	2.2
81.07063	26.4
83.04997	10.6
83.08634	8.6
85.06545	2.9
89.81802	1.7
91.05498	8.1
93.07041	16.6
95.04987	3.7
95.08618	38.4
97.02868	2.0
97.06526	3.3
97.10172	2.1
98.22620	3.7
99.08122	3.2
105.07035	14.4
107.08590	25.1
109.02843	1.4
109.06524	11.1
109.10162	100.0
110.10518	3.0
111.08102	4.2
117.07028	3.3
119.08587	35.5
121.10126	12.7
123.08073	16.7
123.11718	9.7
125.09651	2.1
127.11260	2.5
131.08546	3.0
133.10136	19.6
135.10666	4.0
135.11697	79.6
136.12051	3.8
137.09612	14.1
139.11195	2.7
145.10098	4.1
147.11717	2.1
149.13268	5.3
151.11182	12.2
151.14813	10.6
153.12753	2.3
155.08574	1.7
159.11710	1.6
161.13254	2.4
165.16377	2.5
175.14832	34.7
176.15228	3.1
193.15909	41.8
194.16327	2.1
202.51541	2.0
208.13350	4.1
209.13556	2.8
211.16949	71.4
211.18965	3.6
212.17119	2.7
212.79103	1.5
221.15355	2.6
258.55377	1.7
285.42435	1.8
395.30954	2.0
535.32776	1.7
537.16656	1.8
633.41559	3.4
655.17914	1.9
655.49164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.01872	8.5
55.05515	2.0
57.03445	6.1
60.04530	1.2
61.02925	7.3
67.05504	3.8
68.43464	1.1
68.99806	4.0
69.03432	37.5
69.07058	2.2
69.26686	4.0
69.27104	3.7
69.98376	1.2
70.03784	1.4
70.06592	1.2
71.04988	7.3
73.02921	6.2
79.05499	4.0
81.03422	34.0
81.07047	4.4
83.01365	1.9
83.04989	3.5
85.02907	100.0
85.06560	1.8
87.00829	50.2
91.05492	4.2
93.07079	3.4
95.04973	4.5
95.08618	3.5
97.02895	54.9
97.06531	2.7
98.03272	1.1
99.04446	14.3
103.03976	1.1
105.01869	79.6
105.03388	50.1
105.04456	1.9
105.07041	4.7
106.03768	1.8
107.08582	2.7
109.02879	35.6
109.06535	2.8
109.10239	1.6
111.04458	2.6
115.03941	1.6
117.01844	2.2
119.08584	3.5
119.88648	1.1
121.10147	2.4
123.04445	4.0
123.08089	2.0
125.09620	1.2
127.03917	94.9
128.04231	2.9
129.01843	4.1
130.15891	1.7
131.08511	1.3
133.10162	2.2
134.48418	1.1
135.11748	1.6
145.04953	43.8
145.10133	2.4
146.05379	1.6
147.02927	4.0
147.08092	1.5
147.11751	2.4
156.19418	1.1
159.02884	15.0
165.09071	1.9
171.02858	1.3
173.13260	2.1
177.03906	1.5
179.91258	1.2
181.04988	2.0
187.14879	1.3
189.03984	3.7
189.09120	21.5
189.10703	1.0
189.12759	1.6
193.08705	1.5
211.09738	1.5
213.03996	9.3
231.04984	36.8
249.06065	13.0
249.82608	1.4
255.11293	2.1
315.10614	2.6
399.02054	1.2
587.35175	1.8
613.90826	1.3
633.34686	1.7
634.34436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
55.01873	6.2
55.05509	10.3
57.03447	4.8
57.07082	1.5
60.04554	0.8
61.02935	7.1
65.03944	1.5
67.05505	9.3
68.99794	1.1
69.03432	22.2
69.03814	1.1
69.05626	7.2
69.07069	22.0
70.06590	1.0
71.04996	3.5
73.02930	5.0
79.05485	8.0
81.03423	12.5
81.07062	10.1
82.00825	0.7
82.03786	0.8
82.06574	1.0
82.84712	0.9
83.01366	2.7
83.04984	16.1
83.08637	2.7
85.02910	33.1
85.03436	1.6
85.06554	3.1
86.09709	0.9
86.76625	0.7
87.00842	12.9
87.04472	0.9
91.03944	4.4
91.05476	9.5
93.07050	12.3
94.06574	1.1
94.07347	0.9
95.01331	8.3
95.04967	6.2
95.08613	25.7
96.05357	0.9
97.02900	10.9
97.06540	6.7
97.10173	9.6
98.22591	1.3
99.04478	4.6
101.02407	1.3
101.05997	0.9
102.34206	0.7
103.03944	1.3
103.05484	1.4
105.01887	8.6
105.07029	25.6
107.04971	1.7
107.08595	17.5
108.04488	1.7
109.02880	11.7
109.06545	4.7
109.10165	15.5
111.00771	1.1
111.04456	2.3
111.08069	4.3
113.02374	2.3
113.06022	2.6
115.03966	1.9
115.05438	1.0
117.01888	2.4
117.07047	3.7
119.03421	1.6
119.04950	1.0
119.08583	58.2
120.09357	2.9
121.06465	4.3
121.10151	23.1
121.11020	1.4
123.04436	3.4
123.08069	8.4
123.11715	4.7
125.05984	4.7
125.09635	2.9
126.05542	1.0
127.03907	18.9
127.07568	0.9
129.01831	3.1
131.08562	4.8
133.06516	2.1
133.10132	83.2
134.10501	2.0
135.08044	9.0
135.11707	3.9
137.05978	5.3
137.09666	1.8
139.03880	8.1
139.07536	2.6
141.01833	2.0
141.05492	2.5
142.08656	1.5
143.03416	5.4
143.07040	1.1
143.08572	1.1
145.04990	6.7
145.10103	5.3
147.08035	5.1
147.11691	29.7
148.12064	1.9
149.05962	3.8
149.09634	2.5
149.13283	1.2
149.36989	0.9
151.03889	1.0
151.07556	3.6
153.05446	4.7
153.09135	3.7
154.08646	3.0
157.04958	6.9
157.10124	2.1
159.02934	5.6
159.06517	3.2
159.07977	1.4
159.11700	2.4
161.06020	1.6
161.09633	3.1
161.13242	11.1
163.07523	1.5
163.11240	1.2
165.09135	1.4
167.07086	5.3
169.04970	2.0
171.08072	1.3
171.10268	1.2
173.09639	1.3
173.13277	5.1
174.13634	0.9
175.07579	1.6
175.14828	100.0
176.15504	10.8
177.03960	7.6
177.05432	1.5
177.16257	0.8
179.07082	4.3
179.10764	1.1
181.08736	1.0
183.06538	8.7
183.10208	1.1
185.04488	2.2
185.08107	4.2
185.09628	0.9
185.13367	2.0
187.06061	1.1
187.07574	1.0
187.14848	3.4
189.09134	2.6
191.10664	2.4
193.08606	1.7
193.15863	5.4
197.08144	1.5
199.14828	1.4
201.12724	1.2
203.05502	8.0
203.14400	3.0
205.15866	1.2
207.10168	1.9
209.11777	2.2
211.06110	5.8
211.09666	3.3
213.07602	2.6
213.12770	1.2
215.05508	24.0
215.14294	3.0
216.05861	1.3
217.08604	2.0
225.11133	9.0
229.07083	24.0
231.05003	5.8
231.08607	1.2
235.09633	1.5
243.08656	7.3
248.07651	1.8
249.05998	1.2
253.10741	3.5
255.08772	1.0
255.13766	1.3
257.10190	5.7
261.15005	1.2
269.10236	1.6
269.15353	1.6
271.11774	29.6
272.12128	1.7
272.92114	0.9
277.18298	1.3
287.16534	1.0
295.11731	1.4
297.15088	1.1
305.17480	7.0
315.15878	1.3
323.18323	1.2
333.17154	5.6
351.18021	85.1
352.18369	7.5
381.19000	0.8
386.21759	0.8
436.27081	1.1
454.27518	1.1
634.26331	2.5
635.20416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.216
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	0.6
69.03436	0.4
70.09001	1.5
79.05484	0.4
81.07081	0.9
85.02882	0.5
93.07076	0.8
95.08655	0.3
105.07063	0.6
111.08129	0.5
112.37815	0.4
113.48184	0.3
127.03938	0.6
130.09163	0.3
132.06572	0.3
133.10168	0.5
137.05966	0.4
143.08644	0.4
145.10117	0.7
147.11752	0.7
159.02690	0.9
193.12340	0.7
211.13339	0.5
217.12262	0.5
219.80640	0.4
229.03172	2.1
249.14859	0.4
251.12544	2.2
255.11369	0.9
293.13705	1.4
296.17880	0.4
301.11780	0.7
307.15195	0.4
311.14615	2.6
323.14890	0.5
335.14819	0.5
353.15732	3.1
354.15845	0.4
365.15839	0.4
367.17386	1.9
369.15140	3.4
383.16833	2.4
395.17252	0.5
411.16360	1.1
425.18179	0.9
429.17316	8.8
430.17722	0.5
435.40878	0.4
437.17963	1.1
439.15921	0.8
440.29730	0.4
454.64142	0.4
455.18979	1.0
457.16751	0.9
471.18329	6.8
472.18683	0.7
473.20447	0.5
499.17737	1.1
501.19537	6.0
502.19873	0.6
517.18933	0.7
545.36847	0.4
546.03107	0.4
547.20435	0.5
555.20471	2.9
557.18469	1.1
571.19769	0.5
573.21405	1.0
575.19757	0.8
591.22461	4.3
617.20526	45.2
618.20813	3.7
635.21570	100.0
636.21899	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	635.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01858	1.4
55.05510	2.8
57.03438	3.8
57.07085	0.6
58.74891	0.6
59.04965	0.5
59.28007	0.5
61.02930	5.2
65.03944	0.7
67.05503	7.6
69.03435	4.7
69.07076	4.2
71.01349	1.2
71.05000	0.7
71.31765	0.8
73.02920	31.7
79.05490	4.7
81.07059	10.9
83.04972	1.4
83.08614	1.4
85.02905	5.2
85.06551	1.1
87.04478	1.3
91.05478	8.1
93.07052	11.8
95.04982	2.1
95.08608	20.5
96.08950	0.6
97.02902	3.3
97.06518	2.6
97.10170	1.5
99.08115	0.7
103.05490	0.9
105.07034	16.5
106.07402	0.8
107.08601	13.7
108.08885	0.6
109.06517	1.8
109.10155	10.0
111.08080	2.2
115.03932	5.2
115.05470	0.9
117.07035	2.5
119.08585	35.3
120.08913	1.3
121.06528	1.9
121.10150	8.5
123.08041	3.6
123.11720	1.9
123.57777	0.5
125.09670	0.9
128.06200	1.0
129.06995	3.5
130.07809	0.6
131.08566	13.0
133.10132	11.7
135.08073	2.9
135.11691	4.2
136.12125	0.6
137.09592	3.1
139.11189	0.6
141.07031	1.1
141.09111	1.1
142.07808	1.6
143.08569	8.4
144.09294	0.9
145.06509	0.7
145.10127	18.3
147.08049	3.1
147.11699	6.9
149.09604	2.0
149.13278	3.4
151.11169	0.9
155.08537	2.6
156.09283	1.3
157.10129	8.2
158.10902	1.1
159.08102	0.8
159.11710	11.2
160.12152	0.7
161.09642	2.5
161.13261	8.3
163.07625	1.6
163.11221	1.2
163.14857	3.1
165.09175	0.7
166.03159	0.6
168.09282	0.8
169.10146	2.4
170.10904	1.3
171.11700	4.8
173.09590	1.3
173.13251	8.0
174.13663	0.6
175.11218	1.7
175.14822	7.9
177.12686	1.2
177.16325	2.7
179.08598	0.6
179.14272	0.9
181.10143	0.8
182.10870	1.5
183.10249	0.7
183.11685	3.7
185.09665	0.6
185.13258	6.3
187.11215	1.0
187.14825	28.7
188.15251	1.2
189.12799	3.3
189.16403	6.1
190.13101	0.7
191.14342	2.4
195.11729	1.4
197.13251	3.9
199.14816	8.1
201.12834	1.6
201.16400	9.8
203.14320	16.3
203.17987	1.4
204.14655	1.0
205.15874	5.3
207.11739	0.8
209.13249	0.8
211.14824	3.3
213.12875	0.7
213.16364	7.3
215.14362	5.0
215.17975	1.6
217.15900	5.0
219.13802	0.8
219.17551	1.5
221.15410	1.0
223.14812	1.3
225.16347	2.6
227.17918	2.7
229.15857	3.1
231.17480	2.9
233.15425	3.1
235.14807	0.6
235.16937	0.8
237.16449	1.6
239.18059	1.8
241.19583	1.7
245.15457	0.7
245.19070	0.8
247.16934	1.9
249.18655	0.8
251.18025	0.9
253.16125	0.6
253.19540	1.4
259.17126	0.8
267.21054	1.2
277.19666	1.3
279.21042	0.7
281.22955	0.7
299.20331	0.7
373.28622	0.7
385.29156	2.0
387.30750	0.7
390.52380	0.7
391.30035	2.4
393.31778	1.0
403.29913	4.3
405.31503	2.3
409.31079	1.2
419.29620	0.7
421.30920	6.2
422.31180	1.1
423.32599	2.4
431.29367	3.3
437.30554	1.9
439.32315	2.6
449.30484	7.9
450.31036	0.7
455.31607	7.4
467.31610	8.2
468.31854	1.5
485.32574	2.2
503.33655	2.7
587.35779	100.0
588.27618	1.0
588.36176	12.8
617.36823	1.2
628.38440	3.0
635.20288	0.6
635.38080	6.9
642.10815	0.6
651.13666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4153
Annotation	CHEBI:67943
Peak:m/z	Relative Intensity
52.62256	3.7
53.03946	5.6
54.17818	3.9
55.05507	22.4
57.03423	5.1
57.07059	7.0
65.03922	5.0
67.05504	36.3
69.03433	8.5
69.07076	31.8
70.38287	4.0
71.04995	10.9
72.65131	3.8
79.05501	25.6
81.07064	55.1
83.08622	17.8
85.02910	30.1
85.06564	4.1
89.07214	3.5
91.05482	24.5
93.07043	52.4
95.04975	9.9
95.08610	100.0
97.06544	7.1
97.10172	7.2
99.04475	6.9
102.81388	3.8
105.07034	36.5
107.08605	63.0
109.06542	11.9
109.10159	75.5
111.08130	8.4
115.07580	4.1
117.07024	10.7
119.08595	53.9
121.06528	11.6
121.10153	75.0
123.08081	18.8
123.11732	27.8
127.03960	7.3
128.48773	4.3
131.08592	30.4
133.10146	51.1
135.08095	20.6
135.11681	31.2
137.09654	10.9
137.13281	14.1
139.11249	5.7
143.08578	10.7
145.10144	48.6
147.08052	6.1
147.11711	27.2
149.09653	13.5
149.13235	11.4
151.11160	4.9
151.14864	4.5
157.10124	20.3
158.10838	5.7
159.11674	49.1
161.09612	19.9
161.13278	19.8
163.11160	16.9
171.11694	15.6
173.13271	24.0
175.11163	9.3
175.14812	20.0
177.12823	13.6
177.16400	9.6
179.14272	4.5
181.12335	7.0
185.13228	11.4
187.14850	18.1
189.12764	6.7
189.16357	7.4
191.14319	10.3
195.13765	5.5
197.13266	5.1
199.14813	29.4
201.16394	18.4
203.14330	24.4
205.15878	16.4
209.15395	5.9
211.14859	7.2
213.16359	10.1
215.17949	67.8
217.15875	5.0
219.17476	5.9
225.16444	5.9
229.19489	14.0
231.17468	29.4
233.18921	28.3
245.19119	4.8
249.18475	23.6
251.20030	15.2
259.20605	8.9
273.26212	3.9
287.23804	5.0
298.82440	4.1
317.24527	5.2
349.23691	4.5
349.44046	4.7
411.23734	9.6
419.33200	33.4
437.34167	93.0
438.34406	14.3
444.05246	4.3
455.35239	64.2
456.35715	5.5
473.36243	15.0
599.39240	5.6
617.39813	9.2
635.25702	8.3
635.40820	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	636.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01863	1.0
55.05505	0.7
57.03428	0.9
60.15997	0.3
61.02917	0.7
65.03938	0.7
67.05494	2.0
68.99776	0.5
69.03074	0.4
69.03432	5.7
69.07060	0.8
69.46664	1.5
71.04984	0.8
73.02913	0.8
77.03929	0.3
79.05495	3.1
81.03414	3.4
81.07060	2.8
83.04983	0.4
83.08623	0.5
83.55490	0.3
83.69151	0.3
85.02904	10.6
87.00829	5.3
91.05475	10.2
93.07034	2.7
95.04972	0.7
95.08586	1.0
97.02885	3.9
99.04436	1.3
103.05481	0.7
105.01862	6.0
105.07028	12.0
106.07329	0.3
107.08601	2.2
109.02875	3.7
109.06490	0.5
111.04479	0.4
111.08088	0.4
115.05458	1.2
116.06219	1.9
117.07019	4.8
118.07401	0.4
119.08575	13.9
121.06483	0.5
121.10142	2.6
123.04412	0.3
127.03915	7.1
128.06207	2.2
129.01796	0.3
129.07002	7.6
130.07788	2.7
131.08563	25.0
132.06532	0.7
132.08928	0.8
133.10123	4.3
135.08041	0.8
135.11649	0.3
141.06966	0.3
142.07770	0.9
143.08556	18.4
144.09360	4.4
145.04079	0.2
145.05006	2.2
145.10118	13.9
146.10393	0.5
147.11685	4.2
148.12004	0.4
149.05984	0.4
149.09610	0.6
149.13271	0.7
155.08540	0.3
156.09360	1.3
156.78851	0.3
157.10106	1.3
158.10907	16.5
159.02855	0.8
159.11372	0.5
171.11682	1.1
173.13254	100.0
174.13586	5.6
175.14813	0.4
187.05943	0.3
189.03889	0.5
191.14294	10.0
192.14688	0.6
209.15273	0.4
213.04018	0.5
231.04938	2.3
249.06076	0.7
271.05988	0.7
299.16275	0.3
312.77588	0.3
403.17236	0.3
409.97382	0.3
430.17599	0.6
472.18652	0.4
618.20764	2.8
636.21875	6.8
637.21887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01862	0.6
55.05515	1.0
57.03421	0.8
57.07077	21.4
58.07407	0.5
61.02919	0.9
61.52175	0.2
65.03934	0.9
65.36446	0.2
67.05501	0.4
68.43320	0.2
69.03437	2.0
69.07061	0.3
71.04987	0.5
72.78409	0.2
73.02903	0.4
73.06560	1.2
73.07767	0.2
79.05494	0.5
81.03400	0.9
81.07037	0.9
83.04959	0.2
83.08626	0.2
85.02908	10.0
87.00826	0.2
91.03953	0.5
91.05482	0.4
91.07594	0.3
93.03374	0.2
93.07029	0.4
95.08599	0.7
97.02895	3.4
97.06462	0.3
98.23380	0.5
99.04452	0.5
99.23396	0.2
100.11288	0.2
105.01841	0.3
105.07048	0.9
105.80913	0.2
107.08612	0.5
108.58152	0.2
109.02874	1.1
109.10136	0.5
119.08568	0.7
121.02863	2.7
121.03902	0.4
121.10151	0.6
121.89797	0.2
127.03072	0.2
127.03921	2.5
131.08594	0.3
133.10121	0.6
135.11728	0.3
145.04941	2.4
145.10204	0.3
147.11691	0.4
149.02344	100.0
150.02690	3.1
159.11658	0.3
163.06046	0.5
165.09106	0.6
167.03400	1.5
175.14848	0.2
190.04999	0.2
205.08603	17.5
206.09007	0.8
209.09631	0.4
221.08096	3.1
231.04822	0.2
277.14352	18.0
278.14655	1.0
295.15414	3.5
636.32489	0.3
637.22339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29470	0.3
50.90361	0.3
53.03950	0.6
55.01860	0.7
55.05510	4.5
55.29160	0.3
57.03459	0.7
57.07075	0.7
59.28176	0.3
61.02921	0.5
65.20457	0.4
67.05502	1.3
68.76368	0.4
69.03420	2.2
69.07068	15.2
69.29205	0.8
69.29608	1.9
70.06587	0.6
70.07407	0.3
71.04977	0.5
73.02917	0.4
79.05496	2.7
81.03410	0.9
81.07062	4.2
83.04983	0.7
83.08615	2.5
85.02885	1.9
86.06060	0.6
87.00801	0.4
91.05476	8.0
93.07043	2.4
95.04977	1.0
95.08610	3.6
97.02887	1.1
97.06567	0.5
99.04453	0.5
103.05442	0.6
105.01875	0.3
105.07031	16.9
106.07349	0.6
107.08593	3.8
108.08957	0.4
109.06498	0.4
109.10150	0.7
111.00876	0.4
111.08047	0.4
115.05444	1.2
116.10724	1.2
117.07028	3.4
119.08578	52.3
120.08104	0.6
120.08927	1.2
121.06537	0.4
121.10147	3.0
123.08031	0.5
127.03940	1.3
129.07024	1.8
130.07793	0.7
131.08563	6.4
133.10129	41.8
134.10497	1.4
135.08055	0.9
135.11700	0.5
137.05981	0.6
143.08563	2.8
144.09328	0.6
145.04970	0.5
145.10118	6.2
146.10780	0.4
147.11687	5.7
149.09583	0.6
149.13261	0.5
153.06903	0.4
154.08766	0.4
155.08539	0.5
157.10114	0.6
158.10905	2.7
159.11635	0.6
160.12378	1.7
173.13263	14.3
174.13623	0.4
175.14818	100.0
176.15167	4.2
178.04997	1.0
191.14317	7.4
192.14703	0.4
206.04425	1.5
212.16431	0.7
230.17482	0.6
297.90036	0.3
360.23590	0.5
374.21347	0.4
430.16629	0.4
618.20300	2.0
636.21161	2.1
637.23053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
54.08023	0.4
55.01868	1.1
55.05269	0.7
55.05516	7.7
57.03424	1.3
57.07072	1.1
65.03945	0.5
67.05508	6.7
69.03419	1.5
69.07074	4.1
69.15888	3.1
71.04990	1.4
71.66226	0.4
74.00441	0.4
76.88823	0.4
79.05492	3.1
81.03426	1.0
81.07060	13.3
83.04969	1.2
83.08619	1.3
85.02924	2.2
85.06560	0.8
87.00813	0.7
91.05484	6.4
93.07050	5.6
95.04963	2.0
95.08609	7.3
97.02901	1.3
97.06538	4.0
97.10168	8.7
99.08102	0.6
105.01846	0.7
105.07033	7.1
106.47977	0.4
107.04999	0.4
107.08601	5.3
109.02861	0.9
109.06523	3.2
109.10153	4.9
111.04399	0.5
111.08086	0.8
113.06000	0.5
113.09653	3.3
117.06979	0.7
119.07782	0.6
119.08588	8.1
120.08893	0.5
121.10152	5.0
123.08072	1.3
123.11714	5.3
125.09671	1.9
127.03914	1.1
129.07010	1.7
131.08562	1.7
133.09203	0.7
133.10138	9.1
134.10497	0.4
135.08060	0.7
135.11734	2.2
137.05988	0.5
137.09618	1.3
137.13297	0.9
142.07762	0.5
143.08571	0.4
145.04970	0.5
145.10088	1.0
147.08156	0.6
147.11690	18.6
148.12047	0.8
149.02341	6.1
149.09610	1.2
149.13264	1.5
151.11226	0.8
153.12729	1.2
157.10146	4.6
159.11702	1.5
161.13261	1.0
163.11310	0.5
165.12767	6.1
175.11200	5.6
175.14815	1.3
177.12907	0.7
179.14276	0.9
185.13306	1.0
187.14874	0.5
189.16420	1.4
193.12236	2.5
193.15891	1.2
199.14815	0.7
205.08676	1.0
207.17445	0.6
211.13223	1.0
229.14362	11.4
235.16954	1.0
245.22618	0.4
255.21133	1.4
273.22113	1.7
277.14282	1.1
291.23175	13.2
292.23468	0.8
307.88101	0.4
309.24234	100.0
310.24603	6.2
327.25278	15.8
327.29181	0.7
328.25616	0.9
335.25824	0.8
353.26685	0.7
371.27899	1.2
457.60437	0.4
637.22424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01868	1.2
55.05516	8.6
57.03442	0.7
57.07074	1.2
67.05508	7.6
69.03419	2.2
69.07066	4.6
69.32511	1.7
69.32913	0.8
69.87214	0.4
70.06586	0.4
71.04982	1.3
73.02908	0.5
77.05566	0.3
79.05491	4.9
81.03411	1.8
81.06583	0.8
81.07060	15.1
83.04976	1.3
83.08623	2.3
85.02922	2.9
85.06537	1.8
87.00831	0.9
91.05480	8.3
93.07056	5.6
95.04975	2.2
95.08609	8.6
96.08942	0.5
97.02870	0.9
97.06539	5.1
97.10175	9.0
97.31975	0.3
99.08099	1.1
100.11231	0.9
105.07032	7.3
107.08604	6.3
109.02933	0.5
109.06524	2.7
109.10155	6.0
109.67427	0.4
111.08083	1.1
113.06017	0.6
113.09650	3.2
117.07004	0.9
119.08582	7.0
120.08976	0.4
121.06475	0.4
121.10145	6.6
123.08055	1.7
123.11706	5.9
125.09639	3.1
127.03918	1.4
127.07491	0.4
129.06993	2.4
131.08594	2.1
133.10133	9.7
135.08051	0.9
135.11720	2.0
137.09608	0.5
137.13266	1.1
145.10112	1.5
147.08078	0.6
147.11690	21.2
148.12036	1.2
149.02335	10.5
149.09599	1.4
149.13254	2.0
150.47382	0.4
151.11189	0.8
153.12794	1.1
157.10130	6.3
159.11676	1.3
161.13312	0.7
165.09030	0.7
165.12758	6.7
173.13301	1.1
175.11192	5.6
175.14856	1.6
176.24678	0.4
177.12750	0.5
179.14302	0.7
182.15520	0.5
183.13617	0.4
185.13211	0.8
187.14764	0.5
189.16382	1.1
191.08679	0.5
193.12242	3.5
193.15916	1.2
195.13866	0.9
199.14775	0.7
205.08667	1.2
207.17401	0.9
211.13307	1.0
229.14349	12.0
230.14612	0.5
235.16785	0.7
245.22664	0.6
255.21086	1.2
273.22144	1.8
277.14395	1.6
287.05374	0.5
291.23169	12.3
292.23453	0.9
296.81293	0.4
309.24231	100.0
310.24603	7.8
312.19467	0.7
327.25308	14.5
328.25644	1.2
371.27826	0.9
388.93954	0.5
495.54950	0.5
636.22485	0.6
637.22223	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	636.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.0
67.05508	8.9
69.07071	7.3
70.90511	3.4
79.05482	5.2
81.07043	13.0
85.02900	6.5
91.05461	7.4
93.07041	10.5
95.04962	3.2
95.08596	22.3
97.06506	4.2
100.78887	3.1
105.07033	13.9
107.08609	15.6
109.10173	10.7
113.05972	3.9
119.08584	19.2
121.06522	5.1
121.10152	8.7
123.08075	10.2
131.08583	4.1
133.10120	9.1
135.08060	5.8
135.11642	3.5
137.09607	6.0
145.10106	6.6
147.08026	7.1
147.11713	3.9
149.09610	4.8
157.10068	5.4
159.11597	7.5
161.09607	3.7
161.13271	7.9
163.11121	4.6
171.11667	5.0
173.13289	4.6
175.14796	5.5
187.14784	7.1
189.16457	3.7
191.14351	6.1
199.14856	4.1
201.16322	3.8
203.14349	28.4
203.18080	3.0
205.15886	10.8
213.16400	4.2
217.15947	3.7
229.15919	3.5
231.17410	7.6
325.25348	3.4
371.14767	5.0
391.30130	4.5
409.31152	3.7
421.30917	22.2
439.32031	32.2
457.33157	100.0
458.33594	10.1
547.21851	4.7
636.26813	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1762
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03945	0.2
55.05515	0.2
56.10545	0.1
57.03421	0.3
61.02920	0.1
67.01869	0.6
67.05516	0.1
67.63286	0.1
68.99793	0.4
69.03428	0.5
69.07037	0.1
69.16734	0.8
71.04993	1.8
73.02888	0.2
74.41440	0.1
75.04470	0.2
79.05483	0.3
81.03423	0.6
81.07052	0.4
82.06580	0.2
83.04963	0.4
85.02906	2.8
89.03928	0.2
91.05481	0.2
93.07057	0.2
93.87414	0.1
94.06573	0.1
95.04953	0.2
95.08582	0.2
97.02887	0.3
99.04446	0.2
103.03935	0.4
105.07011	0.3
107.08549	0.1
108.08104	0.2
109.02895	0.5
109.06485	0.1
111.00814	0.1
111.04449	0.3
117.03380	0.1
119.08563	0.1
121.10181	0.1
123.08084	0.1
125.02349	0.2
127.03918	1.1
129.01811	0.2
129.05478	0.6
131.08575	0.1
133.10141	0.1
135.04419	1.8
135.11668	0.1
137.02338	0.5
137.05922	0.1
142.08640	0.3
145.05029	0.1
145.06429	0.1
147.06494	0.2
147.11732	0.1
153.01828	5.5
154.02206	0.1
154.08644	0.8
161.02335	0.6
165.05496	0.1
169.04965	0.2
171.02921	0.6
172.09763	0.1
175.14853	0.2
179.03415	0.3
187.05980	0.4
205.07063	0.3
213.05437	0.1
219.06511	0.2
237.07510	0.2
241.04910	0.5
263.05551	0.1
269.04364	0.5
287.05490	100.0
288.05829	5.8
327.25223	0.1
329.06619	0.2
422.29004	0.4
440.29904	0.2
491.11951	0.8
560.20508	0.1
582.48407	0.1
637.17426	0.3
638.17590	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05624	0.4
55.05502	0.4
55.82888	0.3
56.65794	0.3
56.69364	0.3
56.89749	0.4
56.90047	0.4
57.03417	0.4
60.69860	0.3
67.05510	0.8
69.57343	0.3
72.04656	0.3
73.02917	2.1
80.83160	0.3
81.07066	1.1
85.02921	0.5
91.05509	0.5
93.07055	1.2
94.07306	0.4
95.08607	1.7
98.23362	1.0
105.07046	1.4
107.08609	1.3
115.03913	0.4
119.08572	2.4
120.08952	0.8
121.10144	1.0
131.08562	1.0
133.10127	0.8
134.10495	0.3
135.11726	0.4
137.05983	0.3
143.08521	0.5
145.10103	1.7
146.10493	0.5
147.08142	0.4
147.11757	0.6
157.10120	0.7
159.11746	0.7
173.13219	0.7
174.13664	0.4
175.03658	0.4
175.73024	0.4
183.11766	0.3
187.14876	1.2
188.15227	0.7
189.16527	0.4
201.16406	0.7
202.16751	0.3
203.14345	0.9
213.16386	0.5
225.16495	0.3
227.18071	0.4
228.18343	0.4
230.61540	0.5
410.13657	1.0
422.31442	0.5
425.12146	2.7
440.14420	8.3
441.15125	1.3
453.15363	0.4
520.20813	0.3
588.36102	4.3
589.20758	0.3
589.36432	3.5
637.22516	100.0
638.22894	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	637.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
56.37548	0.4
61.54553	0.4
67.05492	0.5
69.96332	1.6
85.67072	0.5
91.05450	0.6
93.07020	0.5
105.07066	0.5
112.81432	0.4
116.47018	0.5
119.93234	0.4
131.68427	0.5
137.05995	1.1
149.02365	0.9
153.39445	0.4
167.07056	0.9
175.03772	0.5
189.05164	0.6
425.12131	2.9
440.14417	8.2
440.19946	0.7
441.15027	1.4
442.16449	0.6
607.20734	0.6
637.22498	100.0
638.22937	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43395	2.0
69.87774	2.7
71.32716	2.3
80.10529	2.6
80.94818	2.2
89.87469	2.4
89.98858	2.2
91.05447	2.3
98.52919	2.5
154.19646	2.5
175.27861	2.5
234.20625	2.6
270.63916	2.2
393.20758	3.4
400.16891	3.0
407.21951	4.4
414.18506	5.2
415.19247	7.2
426.18845	3.0
428.20099	2.5
429.21042	5.8
443.18073	4.4
444.19318	6.8
445.20251	3.4
457.20636	6.7
458.20984	4.1
471.21719	9.0
472.22299	7.0
485.19830	4.3
486.20270	6.6
499.21027	11.1
500.22040	3.3
503.24548	3.3
517.22113	2.9
527.20563	5.2
531.23846	11.2
559.23395	100.0
559.32129	5.5
560.23712	9.7
587.22754	22.6
619.15369	4.8
619.25494	92.0
620.25928	14.0
637.26044	9.2
637.36163	2.3
637.40320	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	637.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71091	0.5
69.08530	4.0
69.08935	1.1
79.05409	0.9
91.05394	0.5
104.73357	0.5
111.37445	0.5
132.07967	0.5
135.34767	0.5
160.32301	0.6
181.08850	0.5
209.10634	1.1
221.10658	0.9
237.10402	0.7
249.10118	0.8
277.09476	0.6
282.90527	0.6
309.13239	0.6
328.14600	0.6
359.14767	0.6
363.16132	1.1
374.16312	1.5
375.16843	1.2
376.17087	2.0
377.17496	3.1
378.18298	2.3
379.18683	0.6
385.14621	1.3
386.15387	1.9
387.16113	1.1
388.17606	1.1
389.17957	2.1
390.18634	1.3
391.19370	4.5
392.20013	3.6
393.20551	5.2
398.15915	0.9
399.15839	3.2
400.17014	3.0
401.17599	5.5
402.18991	1.2
403.19510	1.4
404.15817	0.9
405.16168	1.0
405.21365	3.3
406.21277	1.7
407.22339	8.6
408.22888	1.1
411.16159	0.9
412.17453	0.9
413.17740	3.6
414.18576	5.3
415.19312	11.6
416.15189	1.3
416.20825	2.6
417.16315	1.2
417.20676	2.1
418.18198	1.2
419.18546	2.3
419.23163	1.0
421.20087	7.1
422.20462	0.8
425.17923	0.9
427.19183	1.7
428.14850	0.8
428.20667	3.5
429.15964	1.2
429.21442	7.7
430.21997	3.7
431.18600	2.4
433.16281	2.0
433.21088	0.9
434.21103	1.4
435.21661	7.7
436.22543	2.4
439.19092	1.0
441.17142	2.0
442.17654	1.2
443.17322	5.0
443.22742	3.8
444.18552	4.5
444.23962	1.4
445.20459	4.6
446.20804	1.0
447.17279	3.6
448.18436	1.9
456.19452	2.0
457.20667	5.9
458.21320	5.3
459.17944	1.9
460.18707	1.6
461.19266	2.9
462.20572	2.2
463.21524	2.4
469.16592	1.4
470.16739	1.1
471.22482	8.0
472.23450	5.5
473.19244	6.3
474.20667	4.1
475.17126	1.7
475.21655	1.9
476.18307	1.6
477.19022	0.7
484.18784	0.8
485.19855	5.6
486.20459	7.0
487.21628	4.0
488.22409	1.3
489.19022	2.4
489.22769	4.5
490.19547	7.2
491.20111	3.3
498.20251	0.7
499.21289	13.5
500.21683	4.3
501.18271	1.3
501.22623	2.1
502.19803	1.9
503.20398	2.0
503.24347	3.6
504.20514	0.6
507.24069	0.8
513.19208	8.6
514.19983	2.6
516.21729	2.6
517.22467	18.8
518.23090	3.0
519.20081	1.3
521.25421	2.4
522.26062	1.2
527.20978	4.4
528.21429	2.4
529.22327	2.0
530.22827	0.9
531.24426	13.7
532.23761	2.4
543.24164	1.2
545.21790	1.9
549.24854	9.1
550.25568	1.1
555.19922	0.8
559.23376	83.7
560.23737	10.5
573.21033	1.0
576.23541	0.8
577.24762	3.6
578.24878	1.6
587.22931	15.9
587.32294	0.8
588.23260	2.6
591.26080	4.8
605.23871	8.9
606.24231	1.2
609.27124	1.1
619.25500	78.0
620.25873	12.3
637.26538	100.0
638.26862	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.1
56.91001	0.8
57.07079	11.6
65.03935	1.7
67.05478	0.8
69.60914	0.9
74.52292	1.1
80.15155	0.9
81.07040	1.0
83.04982	15.4
91.05476	3.7
95.08591	1.6
98.98473	1.1
105.07056	1.7
106.24957	1.1
107.08629	2.4
109.10163	1.0
114.71032	0.9
117.07002	1.1
118.13285	1.1
119.08607	2.0
129.07098	1.2
133.00482	0.9
133.10167	1.1
141.06972	2.1
147.11690	10.6
151.01563	2.0
159.08057	1.1
163.01538	2.0
169.07648	1.5
175.01599	2.2
209.10655	1.4
209.22839	1.1
210.11496	1.6
219.09201	1.8
220.09813	1.5
221.10753	1.2
223.12379	1.7
224.13013	1.2
225.13840	2.5
227.04643	1.7
233.10754	1.0
235.12251	2.5
237.13928	2.3
239.04665	3.5
249.10413	1.1
265.09668	1.0
274.80170	0.9
275.08130	1.2
277.09857	2.3
306.20895	1.1
311.25775	1.1
325.11929	1.0
326.12930	1.1
337.02368	18.6
340.14594	1.7
345.53125	1.1
386.15253	1.0
393.08740	5.3
399.16257	1.7
413.17911	1.1
415.19547	1.7
417.16815	1.2
427.15536	2.6
428.16763	1.5
429.21109	1.6
433.20261	1.5
441.17053	3.5
442.17514	2.2
443.18445	2.9
455.19241	1.5
457.20709	6.4
458.21017	2.0
459.18967	1.1
469.11224	2.3
469.16888	1.9
470.17319	2.7
471.22491	4.6
472.22363	1.7
473.19687	1.4
475.21133	3.2
484.19202	1.9
485.19299	3.3
486.20438	1.2
489.22614	3.0
491.20673	1.9
497.16080	1.6
499.21463	14.7
500.22287	5.3
501.18515	1.3
502.19986	1.6
503.20712	3.3
510.19659	1.0
511.21378	2.4
512.18500	2.2
513.18878	1.9
517.22247	8.2
525.17963	9.5
527.20880	18.3
528.21588	4.4
531.24115	2.1
543.24005	17.8
544.24152	2.0
545.21417	3.7
549.24756	2.1
555.20013	3.0
559.23456	14.7
560.23730	1.5
577.24335	2.5
581.24255	36.2
582.24408	3.2
587.22882	100.0
588.23291	12.7
605.24017	1.7
619.25513	49.1
620.25995	7.5
637.29077	13.6
637.41620	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.8
63.25000	1.2
67.05498	2.2
69.07076	1.3
70.07359	1.1
70.12189	1.2
71.08641	2.1
71.32513	2.0
81.07043	3.0
83.04980	1.1
87.54089	1.1
90.15252	1.1
91.05493	1.9
93.07062	1.8
95.08631	2.6
99.97014	1.3
103.87185	1.1
105.07006	1.6
107.08610	1.7
109.10160	1.7
119.08617	1.9
120.95033	1.2
121.10123	1.2
162.05508	2.1
168.08116	2.2
181.07613	1.8
193.07649	3.3
194.08559	1.3
195.09203	5.6
196.09964	5.2
197.10802	4.2
207.09230	3.8
208.07750	1.7
208.09943	5.4
209.07002	1.7
209.10690	9.4
210.07794	1.8
210.11494	7.9
211.12431	2.2
212.13142	2.7
221.07117	3.3
221.10641	2.0
222.07927	2.9
223.08731	10.2
223.12276	7.7
224.09422	15.4
224.13094	3.5
225.10242	8.3
225.13849	10.7
226.14423	1.6
235.08653	7.9
236.09398	5.3
237.10280	5.5
238.11064	3.4
239.08154	1.9
249.06416	2.3
250.07462	1.3
251.08226	5.2
251.11914	6.1
252.08879	1.6
253.13382	26.3
255.11261	4.0
256.12042	5.8
263.08105	5.9
264.08990	3.6
265.09821	3.3
266.10550	2.3
269.09052	2.0
269.13000	1.9
271.14172	2.1
277.05972	1.8
279.07788	1.5
279.11322	5.0
281.09412	3.5
281.12735	2.1
283.10599	1.6
291.07581	7.0
293.09106	1.5
295.07065	1.6
297.09128	1.8
297.12405	5.0
309.08783	1.5
310.09485	3.6
323.10272	1.7
325.11810	4.3
351.09772	25.8
351.13751	2.5
352.10019	3.2
369.10818	22.2
370.11203	2.0
419.22675	1.4
470.16675	2.3
517.22333	8.6
518.23309	1.4
545.21832	3.0
549.24878	1.9
559.23706	1.4
561.86383	1.5
573.21136	4.9
577.24414	45.4
578.24854	7.2
586.57947	1.5
605.23944	100.0
606.24109	11.3
637.26642	21.5
637.43378	4.5
638.26910	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32781	0.2
62.29350	0.2
69.19730	1.5
74.44256	0.2
83.52599	0.2
92.49734	0.2
117.16256	0.3
223.12352	0.3
266.06897	0.3
387.15823	0.3
388.17499	0.4
389.17700	0.5
390.18527	0.3
391.19086	0.6
392.19919	0.3
400.17877	0.2
401.17816	1.3
402.18604	0.7
403.19168	1.9
404.19836	0.8
405.20856	0.8
406.21365	0.3
414.18646	0.3
415.14609	0.3
415.19666	1.8
416.20581	1.2
417.16553	0.7
417.21481	1.8
418.21381	0.9
419.22699	1.8
420.23233	0.6
428.15732	0.4
429.16940	1.0
429.21194	1.0
430.17303	2.2
431.18015	3.0
432.19061	1.0
432.23401	1.1
433.19644	1.4
435.21805	0.4
443.18213	2.9
444.18909	3.1
445.20053	10.5
446.21155	2.9
447.21982	1.3
448.22806	0.5
457.20193	0.6
458.20914	7.8
459.21753	7.4
460.22629	7.1
461.19159	3.8
462.20532	1.0
471.22247	0.5
472.22711	0.4
473.23407	0.8
475.21225	2.0
476.22131	1.5
477.22968	1.7
478.23563	0.3
486.24655	0.4
487.25571	0.3
489.19217	0.4
489.23123	0.7
490.23505	0.9
491.24911	1.1
499.21344	0.4
503.20856	0.9
504.25177	0.9
505.22644	0.8
517.21411	1.4
518.23016	4.7
519.23627	0.5
530.23291	0.5
531.24097	0.8
532.24884	0.5
533.25641	3.1
534.25604	0.4
535.23059	1.6
545.25427	2.5
546.26105	2.0
547.27271	0.5
549.24994	0.8
560.23999	0.4
562.25781	0.5
563.26434	0.5
573.24902	1.0
577.28607	2.5
578.27393	0.4
590.25421	0.5
591.25891	0.3
592.26886	0.6
605.27594	14.1
606.27966	2.6
636.27197	0.3
637.30176	100.0
638.30505	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00622	1.2
57.07088	1.5
69.15754	9.8
72.51672	1.3
81.07039	2.2
83.05052	1.7
92.86916	1.3
93.06991	1.5
95.04956	1.1
95.08627	1.3
95.40800	1.2
95.48594	1.2
98.23369	2.2
109.10164	2.1
134.77002	1.4
389.18842	1.6
391.19385	2.2
392.20038	1.7
400.16885	1.6
401.17630	2.3
402.18536	1.9
405.20859	5.4
406.21609	5.8
413.17902	2.0
414.18420	2.6
415.19208	6.8
416.20419	1.5
417.20547	1.9
419.22797	3.1
420.23212	3.8
421.23694	15.0
422.24161	1.9
427.19482	2.6
428.19879	3.3
429.20804	13.1
430.21527	5.9
433.19672	3.3
433.24829	2.1
434.24786	2.3
442.21652	1.9
443.22589	9.7
444.23087	5.6
445.20410	4.0
447.17697	2.7
456.19678	2.1
457.23950	4.7
458.25003	10.4
459.21936	9.1
460.22668	7.4
461.19342	8.2
470.03815	1.6
470.21173	1.9
471.21582	3.6
472.22565	9.8
473.24469	6.0
474.20203	1.5
475.21060	2.7
476.22086	11.5
485.23505	19.5
486.19876	2.2
486.24115	5.6
487.20889	2.1
488.22223	5.5
489.22876	1.9
499.21127	1.7
500.21796	2.7
503.24475	24.6
504.24802	2.3
513.22876	5.9
514.23730	2.3
517.25940	13.4
529.25977	1.4
535.27094	34.2
536.27319	5.0
545.25476	98.3
546.25806	13.7
563.26324	5.7
573.24994	21.1
574.25177	3.5
577.28265	1.7
578.29144	2.7
605.27618	81.6
606.28076	12.3
629.01563	1.6
637.30200	100.0
638.30627	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	637.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35168	0.4
55.67141	0.4
95.08555	0.5
107.08607	0.5
147.11687	0.5
154.80806	0.4
182.09705	0.6
196.09973	0.5
209.10785	0.7
221.10796	0.5
223.12387	1.5
224.09473	0.7
224.13164	0.9
225.10246	0.6
225.13925	0.9
237.10201	0.5
237.13953	1.4
239.15477	0.6
251.08437	0.6
251.11937	0.5
283.10919	0.6
303.17374	0.6
337.11893	0.6
390.18793	0.7
391.19128	0.8
401.18243	0.5
403.19333	0.6
405.20834	1.6
406.22046	1.1
414.18256	0.6
415.19635	0.7
417.20987	0.9
418.17776	0.6
419.18448	1.0
420.23239	1.2
421.23917	2.1
428.20074	0.5
429.21097	2.3
430.21487	1.0
431.18765	0.8
432.19284	0.7
433.19919	2.7
443.23068	0.9
444.23306	1.1
445.19901	1.3
447.17053	0.7
447.22125	1.5
448.22809	1.5
458.25134	0.9
459.22253	3.6
460.23007	1.0
461.19016	2.7
462.20370	0.9
472.22708	1.2
473.23886	1.0
474.20239	0.5
475.21106	4.1
476.21933	9.8
477.22351	2.3
485.23541	3.0
486.24240	0.8
487.21338	0.7
488.21982	0.8
489.22830	1.1
490.23505	0.6
493.22729	0.8
502.24057	0.9
503.24649	5.1
504.25052	0.8
513.23096	0.7
514.23456	1.0
517.26135	1.9
519.23840	1.2
521.22852	0.5
533.22461	0.9
534.24756	0.6
535.27301	6.2
536.27380	0.9
545.25494	15.9
546.26013	3.1
547.23700	1.7
548.24115	1.0
549.24854	1.2
562.25848	6.2
563.26501	4.9
564.27063	0.9
573.24756	4.0
574.25580	0.9
577.28198	3.4
579.25720	1.0
605.27582	16.3
606.28046	3.3
622.28003	2.5
637.30170	100.0
638.30457	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	6.0
60.63082	5.7
67.05500	15.4
69.03425	9.0
69.07073	8.4
69.22619	40.0
79.05495	10.2
81.07056	26.2
85.02895	12.7
91.05480	9.5
93.07053	24.7
95.04980	15.3
95.08601	35.6
97.06538	7.0
105.07028	16.0
107.08589	21.7
109.10162	24.5
115.55328	5.7
119.08604	22.9
121.10151	18.0
123.08038	5.7
127.03876	8.5
129.07082	5.5
131.08563	9.5
133.10141	15.7
134.08295	5.6
135.08031	8.4
135.11681	12.1
137.13295	7.9
143.08572	6.0
145.10143	19.0
147.11655	7.1
157.10112	10.5
159.11659	15.9
161.13260	9.4
171.11729	10.2
173.13274	7.6
189.86346	5.5
197.13266	8.4
203.14331	13.0
205.15904	8.9
211.14926	8.4
213.16437	7.6
215.14326	8.3
215.45013	5.3
227.17804	7.7
243.49532	5.8
366.21939	5.5
408.01233	6.0
409.26053	8.2
409.31070	100.0
410.31445	6.5
421.30786	22.4
439.32190	92.2
440.32492	8.4
457.33118	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	637.3948
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
53.03943	2.1
55.05508	4.1
57.03431	1.7
57.07064	1.2
65.03938	1.0
67.05513	14.4
69.03426	8.0
69.07080	6.9
69.16988	5.7
69.17391	2.5
70.06601	1.2
71.04996	2.4
79.05502	9.2
81.03440	2.0
81.07061	19.6
83.04988	2.3
83.08614	2.5
85.02912	16.0
91.05482	12.4
93.07056	22.8
95.04982	15.3
95.08610	31.6
96.19604	1.0
97.02894	1.4
97.06518	3.4
99.04449	2.5
105.06367	1.8
105.07039	20.8
107.04929	1.2
107.08597	26.8
109.02895	2.8
109.06532	4.0
109.10160	26.7
111.08071	3.3
117.07017	4.9
119.08591	27.1
120.08868	1.2
121.06504	3.7
121.10146	16.7
123.08096	6.3
123.11707	4.4
125.09675	2.1
127.03942	1.4
128.06207	1.6
129.06967	2.2
130.07718	1.3
131.08591	12.2
133.06543	1.3
133.10130	16.3
135.08064	7.5
135.11716	9.4
137.09630	7.3
137.13248	4.1
141.06908	1.3
142.07767	2.5
143.08556	6.4
145.05037	1.3
145.10132	20.2
147.08032	6.1
147.11697	13.6
149.09636	4.4
149.13263	4.4
151.11153	1.6
153.09073	1.0
155.08540	1.9
156.09283	1.4
157.10139	11.8
159.08035	1.9
159.11696	15.3
161.09671	6.0
161.13281	9.7
163.11177	1.9
163.14830	5.5
169.10126	3.4
171.11679	7.6
173.09575	1.4
173.13261	7.5
175.11195	3.2
175.14847	7.7
177.12749	2.1
177.16402	3.2
179.14354	3.3
183.11711	3.3
184.12520	1.8
185.13272	8.2
187.14833	13.0
189.12689	3.7
189.16399	5.2
191.14345	5.6
195.11722	1.6
197.13284	3.5
199.14832	7.5
201.12752	2.0
201.16373	5.2
202.48816	1.2
203.14322	44.1
203.17958	1.7
204.14659	2.3
205.15903	20.8
209.13235	3.1
211.14839	3.3
213.16382	5.2
215.14371	4.1
215.17921	1.3
217.15883	8.5
219.17470	1.8
223.14877	2.0
225.16304	1.7
227.14330	1.3
227.18057	2.5
229.15858	4.7
231.17477	7.3
237.16310	1.4
239.17995	2.5
243.17410	2.8
245.19165	2.3
251.17978	2.1
253.19601	2.5
269.19119	1.4
283.20480	1.6
325.25140	2.6
365.28214	2.1
391.29892	3.1
403.29913	6.3
409.31015	100.0
410.31482	10.5
421.31030	23.0
422.31311	2.5
439.32098	92.8
440.32462	10.6
450.33679	2.6
457.33170	33.1
458.33383	3.8
468.24332	1.2
475.34427	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	638.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32798	0.4
53.03944	1.2
55.01872	1.1
55.05511	7.3
56.62487	0.4
57.03422	0.5
57.07076	0.6
61.02928	0.7
65.03925	0.7
67.05500	2.2
69.03429	3.1
69.07070	11.4
70.61954	0.8
70.62280	0.4
71.04993	1.3
73.02922	0.6
75.03547	0.4
76.28034	0.4
79.05496	3.2
81.03415	3.1
81.07064	7.1
83.04970	0.7
83.08614	4.1
85.02914	6.6
87.00837	4.3
91.05476	8.4
93.07053	4.3
95.04961	0.8
95.08605	7.9
95.26128	0.4
97.02902	2.5
97.06511	0.6
99.04461	1.0
99.08082	0.6
103.05474	1.2
104.06238	0.5
105.01867	6.2
105.07030	20.3
106.07355	0.6
107.08597	11.2
109.02885	2.4
109.06548	0.5
109.10173	2.1
111.00795	0.7
111.04413	0.6
115.03930	0.6
115.05488	0.5
117.07025	4.1
119.08583	67.5
120.08870	2.2
121.06509	0.5
121.10154	5.3
123.08099	0.7
127.03905	5.0
129.01834	0.9
129.07056	0.5
131.08563	1.7
133.10130	31.2
134.10435	0.9
135.11685	2.6
141.05484	0.5
145.04958	2.3
145.10129	1.7
146.10889	0.6
147.11682	4.9
159.02911	0.9
159.11679	0.8
160.12469	1.0
161.13260	1.1
171.11673	0.6
173.13228	1.3
175.14825	100.0
176.15158	4.7
177.16344	0.7
189.12846	0.6
193.15909	2.3
211.59778	0.4
217.12280	0.6
231.04932	1.6
235.13327	0.5
249.06091	1.6
253.14403	0.4
279.45309	0.4
319.10327	0.6
420.62500	0.5
441.16956	0.6
540.63745	0.4
566.60919	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03944	0.8
55.01875	0.5
55.05509	7.4
57.03439	0.7
57.07079	0.6
61.02940	0.6
62.02618	0.4
65.03944	1.0
67.05509	3.3
69.03428	2.5
69.06685	0.6
69.07066	12.2
69.29750	1.4
69.30162	1.3
71.04990	5.1
72.40031	0.4
73.02930	0.8
77.03937	0.6
79.05492	4.2
81.03423	1.8
81.07056	8.8
83.04989	3.3
83.08616	4.5
85.02901	6.0
86.06075	2.5
87.00838	1.0
87.04447	0.4
91.05479	13.4
93.07040	5.3
95.04942	1.0
95.08604	11.7
95.09226	0.4
97.02880	2.2
97.06559	0.8
98.09683	0.7
98.22670	0.6
99.04440	1.0
101.06049	0.8
103.05469	1.8
104.06281	0.7
105.01901	2.1
105.07033	23.2
106.07335	0.8
107.08594	17.2
108.08931	0.9
109.02887	1.9
109.06539	0.9
109.10141	4.1
111.04449	1.1
115.03931	0.6
116.10721	4.1
117.07014	5.1
118.25157	0.4
119.08578	100.0
120.08892	3.9
121.10144	5.4
123.08073	0.8
127.03912	4.1
127.28055	0.4
128.19505	0.4
131.08556	1.4
133.06459	0.4
133.10127	27.3
135.11687	1.3
136.07617	0.6
137.05959	0.6
145.04976	2.5
145.10126	2.1
147.11679	5.0
151.14757	0.7
158.61545	0.4
160.12436	0.8
161.13226	1.1
163.05994	1.0
165.71191	0.4
173.13341	1.4
175.14818	97.2
176.15150	4.6
177.16309	0.4
187.14688	0.5
191.14307	0.6
193.15883	7.9
211.13229	0.7
212.16484	1.4
215.09184	2.3
230.17505	6.0
231.04985	1.5
233.10181	2.2
247.05531	0.4
247.08093	0.7
249.05980	0.8
280.70242	0.4
285.60287	0.4
287.05515	1.9
301.38348	0.4
362.18057	0.5
374.21365	0.6
392.22803	1.2
405.19070	0.4
447.06998	0.8
476.24783	1.8
638.30005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.1
55.01870	2.7
55.05510	4.1
57.03440	2.2
60.04522	1.5
61.02936	2.8
67.05516	3.8
67.48212	0.8
68.99789	1.7
69.03435	9.9
69.07076	9.6
70.03811	1.3
70.06583	2.4
71.04993	2.9
73.02906	3.0
79.05497	4.8
81.03432	6.2
81.07056	8.0
83.01338	1.2
83.04985	3.3
83.08645	3.0
85.02911	21.7
85.06563	2.2
86.09724	1.2
87.00834	7.3
91.05492	9.2
93.07038	7.7
94.07367	1.1
95.04990	2.5
95.08605	7.6
97.02897	9.1
97.06547	2.6
98.23335	2.8
99.04468	4.9
102.95946	1.0
103.05517	1.3
105.01874	10.4
105.07034	16.3
107.04984	1.0
107.08600	7.6
109.02875	9.0
109.06558	1.7
109.10184	3.4
111.04419	1.7
111.08093	3.5
115.03941	1.1
117.01817	1.4
117.07041	2.6
119.04950	1.5
119.08583	38.4
120.08155	1.1
120.08958	2.3
121.06500	3.3
121.10143	5.4
123.08071	1.3
123.11752	2.0
125.06079	1.0
127.03921	15.7
129.01871	2.0
131.04968	0.9
131.08595	3.0
132.06543	1.2
133.10135	35.6
134.10472	1.7
135.08110	2.0
135.11716	3.6
137.05994	1.9
137.09631	1.2
138.09209	1.6
143.08606	1.1
145.04961	5.8
145.10147	3.8
147.04404	1.6
147.11685	8.6
149.09641	1.7
149.13278	1.0
151.07509	1.2
155.96716	1.1
157.01352	4.4
157.10115	1.6
159.02913	1.7
159.11679	1.4
160.12506	1.8
163.07468	1.2
163.11108	1.0
165.12753	1.3
169.12335	1.2
171.02951	1.7
173.13243	2.3
175.02422	3.3
175.03876	1.9
175.11267	3.7
175.14828	100.0
176.15175	5.5
177.16466	1.0
189.03964	1.5
189.12828	1.5
191.14336	2.0
193.12315	3.0
193.15984	5.0
205.07059	1.7
207.06635	2.4
211.13350	2.9
213.03882	1.5
217.12379	1.9
219.10184	2.5
231.04984	5.3
235.13304	1.9
249.06012	1.9
253.14247	1.2
271.06039	12.1
272.06323	7.2
287.05466	5.0
319.06686	3.4
384.40680	1.0
434.11639	1.9
567.70996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01870	2.4
55.05514	5.4
57.03421	1.7
57.07080	1.1
61.02924	2.6
67.05502	3.5
68.99797	2.0
69.03437	11.2
69.07069	9.4
69.36069	6.6
70.06590	2.3
71.04981	2.8
73.02896	1.9
79.05500	4.9
81.03418	6.4
81.07046	10.5
83.04978	3.3
83.08601	2.6
85.02901	21.8
85.06529	1.6
86.03250	1.1
87.00835	7.8
91.05482	9.4
93.07033	8.2
95.04967	2.7
95.08606	6.9
97.02897	9.2
97.06538	2.4
98.22582	1.4
99.04454	5.1
101.02336	1.3
105.01863	9.7
105.07034	17.8
106.07355	1.0
107.08583	9.4
109.02888	8.1
109.06528	2.4
109.10146	2.8
111.08076	3.1
112.93096	0.9
114.65036	1.1
117.07024	2.0
119.04917	1.3
119.08578	41.3
121.06495	2.6
121.10139	4.3
123.11698	2.3
125.06001	1.8
127.03921	15.7
131.08577	3.1
133.10130	36.5
134.10457	1.5
135.04396	1.0
135.08095	2.3
135.11693	3.0
137.06003	1.7
137.09598	1.9
139.07489	1.5
143.08606	1.1
145.04956	4.0
145.10115	4.6
146.10881	1.1
147.04390	1.1
147.11667	8.6
149.09682	1.7
149.13225	1.9
150.54858	1.0
151.03896	0.9
151.11241	1.2
153.01834	1.2
157.01320	4.0
157.10167	1.8
159.02832	1.4
159.08093	1.2
160.12448	1.1
165.12782	1.3
167.07033	1.7
169.12244	1.5
171.02908	1.9
173.13237	1.6
175.02496	1.2
175.11230	3.4
175.14822	100.0
176.15140	5.2
189.03954	1.3
189.12692	1.3
191.14384	1.3
193.12274	4.2
193.15993	4.4
207.06476	1.4
211.13295	2.7
217.12296	1.8
219.10156	2.4
231.04959	4.7
235.13240	2.1
249.06029	2.4
253.14403	1.8
271.05960	17.6
272.06372	8.1
286.04782	1.0
287.05475	3.0
301.05017	0.9
319.06534	2.2
355.15863	1.0
416.53217	1.0
434.11514	1.5
567.18726	2.4
585.19708	1.7
593.61176	1.0
608.92181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1711
Annotation	Rugulotrosin A
Peak:m/z	Relative Intensity
51.02355	0.6
53.03949	2.7
53.37537	0.5
55.05479	1.2
55.13882	0.4
65.03904	0.7
68.99781	1.0
69.09621	1.8
69.10046	1.4
71.04963	1.3
78.04675	1.5
79.05504	2.8
81.03429	2.8
81.07040	0.6
83.04954	0.8
85.02910	3.3
88.43382	0.3
89.03910	1.3
90.04667	1.3
91.05483	3.9
93.03374	0.5
93.07059	2.3
95.04942	1.7
95.08614	0.8
99.04454	9.3
101.99731	0.4
102.04652	1.8
102.46450	0.4
103.03949	5.7
103.05467	10.7
104.06257	5.9
105.03366	0.8
105.07040	13.6
106.04185	2.3
107.04395	0.4
107.04961	4.5
107.08561	0.7
109.02870	3.8
109.10163	0.6
109.62469	0.4
115.05442	4.7
117.03394	2.3
117.07042	0.4
118.03448	0.5
118.04167	4.5
119.04935	1.9
121.06529	5.3
121.10103	0.5
123.04393	1.5
124.05210	1.0
125.05949	0.6
127.03931	4.4
130.04147	3.9
131.04933	33.4
132.05721	32.3
133.02798	0.6
133.06517	9.8
134.03622	0.9
134.07285	2.0
135.04378	1.2
137.05942	0.6
139.03810	0.6
140.04648	1.2
141.06978	0.7
143.04921	1.1
143.06023	1.0
145.02829	0.7
145.06436	0.8
146.03619	4.6
147.04451	3.0
148.05162	2.2
149.05986	19.7
150.06335	0.8
151.03918	0.8
153.01830	15.5
153.05431	0.5
154.06230	4.6
155.04926	0.4
159.04410	1.3
160.05206	10.7
161.05983	26.7
162.03168	0.9
162.06764	10.7
163.03865	1.2
163.07500	1.7
164.08296	3.1
165.05429	0.4
165.06946	0.6
166.06244	1.9
167.07048	16.8
168.07500	0.4
173.05962	0.9
176.04668	4.0
177.05464	8.7
178.06255	4.4
179.06967	1.5
180.07820	1.1
181.04950	0.4
181.08595	11.2
182.09384	3.2
183.04337	0.6
191.07031	10.0
192.07808	34.6
192.22821	0.5
193.08598	15.2
197.06018	2.2
203.01607	0.7
203.03392	9.3
208.07312	1.2
209.08090	11.6
210.08813	5.0
213.05438	3.8
225.05522	2.1
229.04953	16.7
230.05292	0.9
239.07022	1.0
240.07582	0.4
241.04951	5.8
242.05728	10.2
247.07538	0.5
253.04918	3.4
255.06418	1.0
257.04449	100.0
258.05185	28.6
259.05695	1.6
267.06607	0.8
269.04449	2.3
270.05212	1.9
271.06100	1.1
272.06729	0.9
283.06018	1.2
285.03900	11.5
286.04709	53.6
287.05472	31.4
288.05783	1.6
292.13074	1.4
293.10278	0.4
294.11047	2.0
295.06094	2.0
297.03915	16.5
298.04398	1.0
300.06311	2.9
301.07162	0.5
311.05487	7.4
322.04605	0.8
323.05502	20.5
324.05872	1.6
327.05231	0.7
336.12057	2.3
341.06509	3.4
344.16602	0.5
345.07538	0.6
354.13141	3.0
357.07391	1.0
373.07077	0.9
383.07751	0.7
384.06299	0.8
385.06943	1.2
399.08673	1.2
402.07169	0.8
412.05609	0.6
413.06555	1.0
416.09241	0.7
417.09848	2.7
419.07925	1.0
431.07599	0.7
433.09177	0.5
445.09137	9.8
446.09634	0.9
447.07092	1.1
461.08734	0.5
462.09390	2.7
465.11816	1.2
477.11804	33.8
478.12125	3.0
495.12851	20.4
495.20154	0.8
496.13315	1.7
577.17035	27.3
578.17401	2.7
579.14948	2.3
603.14917	8.6
604.15271	1.2
621.16028	23.9
622.16638	3.2
639.17065	91.7
640.17480	11.6
640.28583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
63.47186	0.9
66.82206	1.0
109.10080	1.1
144.48715	0.9
150.81239	0.9
198.64665	0.9
230.43666	1.1
386.18884	1.2
389.17801	2.5
390.18576	2.6
391.19516	1.9
403.19537	3.0
404.19962	5.4
405.20706	15.9
406.21472	3.0
415.19330	1.2
417.20810	3.4
418.21545	3.2
419.22327	9.7
420.22968	4.6
421.23920	1.3
431.18359	1.7
433.24155	5.7
434.24664	4.4
435.18066	2.0
445.20435	2.3
447.21750	5.4
449.19827	9.0
450.20438	3.7
460.22525	1.1
463.21341	9.0
464.22076	4.8
465.22824	11.3
466.23053	1.3
475.21432	2.3
477.22760	6.2
478.23618	4.5
479.24451	35.0
480.25208	4.9
487.21252	2.5
488.21585	1.5
491.20880	3.8
492.25342	3.4
493.26016	24.9
494.26398	3.1
501.23019	2.7
502.23999	1.7
503.24487	3.1
505.22485	2.2
519.23853	2.3
522.22699	1.1
523.23486	12.9
524.23926	2.2
537.24963	36.3
538.25122	5.8
547.23279	6.7
548.24036	1.6
551.26581	21.4
552.27307	100.0
553.27557	13.8
579.25958	13.2
607.25531	14.7
639.28162	89.9
640.28577	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	639.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12148	0.7
56.08258	0.9
66.17843	0.8
66.72025	0.8
67.05524	1.3
69.07109	0.9
69.33024	0.9
70.34407	1.3
70.34727	1.5
81.07053	1.7
82.90588	0.9
85.57690	0.7
85.81995	0.7
86.16684	0.8
91.05495	0.9
95.08638	1.3
107.08580	0.9
121.10172	1.1
127.35245	0.9
156.87250	0.8
169.00250	0.8
277.17508	0.9
333.20642	0.9
376.16904	1.1
377.17618	1.1
389.18768	1.5
390.18454	1.6
391.18958	4.9
392.19971	2.7
403.19202	1.0
404.20682	1.4
405.20776	14.5
406.21362	6.7
407.22617	1.3
419.22351	2.7
420.23120	6.1
421.23715	4.4
431.18237	1.4
433.20264	3.3
433.24863	1.6
435.18185	1.3
436.18793	4.0
445.20154	1.1
447.21414	1.4
449.19907	2.9
450.20477	3.3
451.21338	2.0
452.21832	3.9
460.22525	2.2
463.21591	1.7
464.22531	1.6
465.22852	37.7
466.23169	5.4
473.19437	1.3
475.20901	1.5
477.19183	1.0
477.26544	2.4
478.23337	1.1
479.24332	9.5
480.25195	3.7
487.21417	1.8
488.22260	2.8
492.21310	4.1
493.26083	3.2
494.26501	1.6
501.22589	1.1
503.24408	24.3
503.31549	1.8
504.24448	4.6
505.22366	1.7
519.24567	1.4
521.25488	17.3
522.25989	2.4
537.24939	8.1
547.23322	2.9
565.24408	48.9
566.24628	7.4
579.26166	1.1
580.26892	19.5
581.27197	2.7
607.25500	15.9
608.25507	2.3
621.26978	1.7
639.28113	100.0
639.41711	4.9
640.28516	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	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49442	0.4
63.20069	0.4
67.05507	0.8
69.22443	2.0
69.22852	1.2
81.07039	1.1
95.08617	1.3
110.29866	0.5
133.10124	0.5
197.10832	0.5
209.10699	1.0
221.10812	0.7
223.12294	0.6
235.12352	0.6
237.13696	0.5
282.13748	0.4
293.12799	0.4
298.13416	0.5
312.14975	0.7
314.16666	0.7
324.14966	0.6
326.16452	0.8
328.18253	0.5
340.18289	0.8
368.17917	0.6
374.16272	0.5
375.16296	0.8
376.17261	1.4
377.17615	3.3
378.18207	2.1
379.19656	0.7
388.17642	0.7
389.17624	2.1
390.18344	2.5
391.19153	8.6
392.19894	6.7
393.20889	2.0
400.20139	0.7
402.18744	0.7
403.19443	2.7
404.20065	3.8
405.20703	15.9
406.21429	8.3
407.22250	17.4
408.22900	1.7
416.20404	0.6
417.21146	2.4
418.21585	2.5
419.17310	0.6
419.22440	8.6
420.23047	6.1
421.16946	1.6
421.23837	19.4
422.17426	1.7
422.24524	5.0
430.17542	0.7
431.17682	0.8
431.22614	1.5
432.23209	1.0
433.24362	4.9
434.18225	0.7
434.24640	4.4
435.18240	3.2
435.25327	1.5
436.18866	3.4
436.24744	0.5
437.19897	0.7
445.19818	2.0
446.20651	1.2
447.21622	2.0
447.26535	0.9
448.19284	0.5
448.26132	1.3
449.19330	2.4
449.27255	0.9
450.20511	2.9
451.21280	15.4
452.22021	4.7
457.17410	0.5
458.16617	0.6
459.22079	1.0
460.22629	1.6
461.23819	2.1
462.20013	0.7
463.21402	3.0
464.22025	1.7
465.22894	20.3
466.23276	4.0
471.17416	0.5
473.19864	2.0
475.21161	1.7
475.25885	0.7
477.22745	2.4
478.23654	2.0
479.24387	2.1
486.20758	0.6
487.21252	2.8
488.22064	2.8
489.22461	1.3
491.21014	2.5
492.21167	0.9
492.25589	0.7
493.26315	3.1
494.26886	0.6
501.22806	2.0
502.23654	0.8
503.24460	12.7
504.24777	2.8
505.23294	0.5
507.27609	12.1
508.28296	5.4
509.28470	0.7
518.23651	0.6
519.24152	1.3
520.24420	0.8
523.23444	3.5
524.23993	0.7
525.25323	0.5
533.25177	2.1
535.27026	15.9
536.27539	3.9
537.24951	10.7
538.25299	1.8
551.26599	6.6
552.27295	30.2
553.28003	4.8
561.24878	4.2
562.25555	1.2
579.25964	13.7
580.26501	5.7
593.27551	2.1
595.29205	10.6
596.29565	1.4
607.25299	0.7
621.27026	23.1
622.27142	3.9
639.28101	100.0
640.28369	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	1.5
71.31993	1.1
71.69773	0.7
73.33550	0.7
75.45252	0.7
79.05489	0.8
81.07043	1.5
86.08748	0.7
91.05502	1.2
93.07027	1.3
95.08620	1.3
105.07017	0.9
136.11093	0.6
147.11662	0.9
196.09758	0.8
197.10741	0.8
209.10713	1.8
210.11488	1.5
211.12303	0.7
221.10716	1.4
222.11563	2.4
223.12302	2.7
224.12959	1.2
225.13914	1.6
227.08142	1.0
233.10631	0.8
234.11484	1.0
235.12318	2.1
236.13022	1.9
237.13838	3.9
238.14714	3.3
239.15370	2.6
240.16135	1.2
247.12245	1.2
249.10425	0.8
249.13885	3.1
251.11618	1.0
251.15410	3.9
252.16048	0.8
253.16954	1.0
261.13867	2.4
263.11679	1.0
263.15527	0.7
265.13461	1.1
267.08044	0.8
272.12607	0.8
275.15103	0.8
277.13461	1.4
279.12177	0.8
279.14960	2.9
299.10291	0.7
312.14978	1.3
314.16507	1.0
330.16183	1.2
339.17242	0.7
340.18192	0.7
350.15930	0.8
363.16971	0.7
365.18054	1.2
377.18225	1.4
378.19385	1.0
379.19330	2.2
380.20514	1.1
391.19321	0.9
392.16183	1.0
392.20621	0.9
393.16837	1.6
393.21222	1.2
403.19568	0.9
405.16931	1.1
406.18179	1.4
407.18478	3.4
409.20239	1.9
410.20865	2.4
419.14661	0.8
421.20145	2.7
422.21271	3.3
423.22180	3.3
431.18549	1.2
434.17245	1.2
435.18134	2.8
436.18784	1.1
437.20224	0.8
446.21002	1.7
447.21951	1.2
448.18942	0.8
449.19495	1.1
450.20325	2.6
451.21326	2.0
459.17792	0.7
461.19870	0.8
464.22336	1.3
466.23425	0.7
467.20581	1.0
468.21933	0.9
475.20935	1.4
476.21817	1.0
477.19241	1.4
479.20734	1.3
481.25629	2.8
482.23148	1.0
483.23416	1.6
492.21591	1.3
493.22284	0.8
494.23672	2.8
495.24011	1.3
496.24188	2.0
507.20859	1.1
509.25568	20.2
510.26077	3.5
519.23425	2.8
520.23737	1.0
521.22437	0.7
522.22552	1.9
523.23035	0.9
535.26746	1.5
536.23682	2.0
537.17987	0.8
537.25140	13.3
538.25189	1.7
547.23505	3.7
550.21967	1.0
551.26898	4.6
552.26196	1.0
557.85675	0.8
561.25006	2.6
562.25995	1.5
563.26379	2.0
565.15771	1.1
565.24420	17.3
566.24603	2.5
567.29773	1.9
569.18921	1.3
569.27649	20.7
570.27661	1.8
579.25726	5.8
580.26312	1.1
589.24280	1.4
596.26178	2.3
597.27063	100.0
598.27344	16.2
607.25519	11.9
608.25848	1.9
611.28638	10.4
612.28766	2.2
621.26904	5.7
621.36688	1.1
622.27411	2.9
639.28180	29.2
639.39685	5.6
640.28186	5.8
640.38324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
51.01697	0.7
55.05517	1.3
58.12862	1.0
67.05523	1.1
69.05260	6.2
69.07052	1.0
81.07060	2.1
83.08633	0.8
91.05526	1.2
93.07062	1.2
97.74358	0.8
102.84538	0.8
106.09119	0.8
107.08606	1.1
116.40990	0.9
119.08624	0.9
120.13483	1.0
141.29977	1.1
208.28355	0.8
209.10809	1.3
223.12289	0.9
224.13043	1.1
237.13927	1.2
238.14621	2.8
249.13788	1.0
251.15529	1.1
267.11072	0.9
290.76776	0.8
376.17322	1.1
389.18048	1.2
390.18591	1.2
391.19458	2.1
393.20697	1.4
403.19418	1.1
405.16675	2.3
405.20880	2.8
406.21442	1.7
407.22278	3.3
416.20056	1.2
418.17606	1.9
419.18204	4.1
420.19009	2.1
421.20132	3.9
431.18539	2.2
432.18900	1.5
433.20154	11.0
434.21259	4.9
435.22302	5.0
436.23029	1.5
443.18704	1.4
445.20197	2.8
446.21082	2.5
447.21463	3.4
448.22729	1.2
449.19705	8.6
450.20087	2.0
458.21640	1.3
459.22412	1.2
460.22690	1.6
461.23517	2.1
463.21329	3.8
464.21872	4.1
465.22876	7.5
466.22574	1.0
472.18893	1.5
473.23889	7.1
475.20734	1.9
478.20050	1.4
479.24280	3.9
487.21072	3.5
488.22009	3.8
489.22943	2.1
491.20578	1.8
492.21463	3.8
493.21582	5.3
501.23096	5.1
503.24649	6.8
505.22327	3.8
507.24078	11.9
508.24347	1.7
509.25064	1.0
519.23773	2.8
520.24194	2.3
521.25671	9.4
522.25751	1.6
529.22412	2.2
531.23608	3.7
537.25537	1.9
547.23383	7.3
548.23834	3.6
551.26062	1.3
557.21912	1.7
561.24805	2.2
565.24396	10.3
569.27496	1.5
575.22980	15.4
576.22949	3.0
579.26154	17.9
580.26447	5.8
581.27246	1.7
581.35779	1.4
589.24438	1.7
597.27264	6.0
603.37781	1.1
607.25543	51.9
608.25806	9.8
611.28699	1.4
621.26508	3.0
621.38934	3.7
639.27881	100.0
639.39813	24.9
640.28259	14.6
640.39948	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
58.81402	0.5
73.20037	0.5
83.37128	0.6
103.98621	0.6
119.08464	0.6
239.11845	1.1
249.10255	0.7
304.22705	0.6
391.15591	0.6
392.15961	0.7
393.17157	1.5
393.21500	1.0
404.17264	0.7
405.17276	1.8
406.18130	0.8
407.18491	3.8
418.18390	0.9
419.18860	1.7
420.15158	1.3
420.19858	1.5
421.15387	0.6
421.20557	6.2
422.21017	2.2
423.21829	1.1
433.15897	0.9
433.20905	1.4
434.17505	2.1
435.17264	3.1
435.22980	1.0
436.22662	2.3
445.16345	1.2
447.22205	1.7
448.19171	2.6
449.19659	10.8
450.20309	4.6
451.21442	1.0
459.18182	0.9
460.18503	0.6
461.19717	1.6
463.21710	5.6
464.22144	5.3
465.22464	1.4
473.19513	1.2
474.20654	0.9
475.21552	2.2
477.18607	5.5
478.20059	2.5
479.20612	1.2
491.20673	1.1
492.21756	0.7
505.22629	0.9
507.24429	0.9
521.22034	0.7
523.23596	2.2
533.21515	1.1
535.23651	3.4
536.24329	1.1
537.21924	2.1
550.02313	0.6
550.25391	0.8
551.26459	3.6
561.25146	4.1
562.24915	1.0
562.79944	0.7
563.22821	0.8
564.23059	3.9
565.24310	3.3
567.26740	0.9
579.25769	7.1
580.26520	1.0
581.24506	0.7
595.25708	2.9
596.25897	1.3
607.25702	0.9
610.28088	1.2
621.26776	5.0
624.25806	5.6
639.28137	100.0
640.28418	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	639.2817
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.05505	1.8
58.49136	1.8
67.05529	2.8
69.07062	1.7
79.05512	7.0
81.07050	2.8
81.66480	1.7
91.05492	2.3
93.07065	2.0
95.08616	3.8
105.07041	2.5
105.27711	1.6
119.08595	2.2
120.08115	3.0
134.06027	9.3
172.03972	3.3
196.09927	2.6
197.10722	2.3
198.64160	1.7
204.06610	6.1
208.10124	2.0
209.10773	4.3
210.11603	3.4
211.12225	2.7
221.10750	3.8
222.11575	3.0
223.08742	2.9
223.12338	2.8
225.13860	8.2
226.14732	2.4
235.08659	2.8
235.12305	2.3
237.10233	2.0
237.14017	3.9
239.11847	2.1
239.15450	2.6
244.95711	1.8
247.12506	2.3
249.10214	3.7
249.13823	2.6
251.07968	1.9
251.11996	2.3
265.09860	2.3
277.09695	3.2
279.11160	2.0
305.09198	2.0
307.10916	1.9
309.12299	2.0
310.13297	2.2
325.12149	2.2
326.12952	3.2
337.11856	9.0
338.12836	4.0
339.13361	3.3
342.16309	3.6
351.13687	1.9
352.14279	2.7
354.12070	2.5
388.16534	2.1
403.19611	2.3
417.16626	4.4
418.17847	2.0
429.17014	4.9
430.17859	2.8
431.18597	6.0
443.18805	3.0
444.19254	4.2
445.20309	6.8
446.20901	7.2
447.21716	6.8
450.20193	2.9
459.21786	6.2
460.22342	1.9
472.18552	6.9
473.23941	2.6
474.20590	7.5
475.21146	5.9
477.19119	2.3
487.21533	8.5
488.21826	2.8
500.18378	3.1
501.22620	6.3
502.22427	2.1
506.22925	3.6
515.20685	2.6
519.23877	3.6
520.24603	2.2
529.22327	2.0
533.25568	3.6
534.23114	3.8
547.23248	16.6
548.24323	2.5
561.16357	3.3
561.24963	54.0
562.25128	9.4
563.26245	5.3
564.23633	9.0
565.24292	5.0
575.22742	4.2
579.24658	2.1
589.24084	7.7
593.33679	2.6
596.25922	5.3
597.27094	2.4
607.25500	100.0
608.25507	10.9
611.28235	6.4
621.27075	73.7
622.27448	13.3
639.27826	22.1
639.39923	16.7
640.28198	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	2.0
79.05521	1.6
91.05497	3.3
93.07032	2.2
95.08610	2.5
105.07076	2.2
107.07320	1.6
108.08110	1.7
119.08604	1.7
120.04543	2.5
120.08114	7.7
122.09712	2.2
146.06093	4.2
147.65274	2.0
150.09183	2.7
172.03963	6.8
193.12631	1.7
197.07254	2.0
197.10812	3.1
204.06607	11.6
211.08794	2.5
225.10336	6.0
225.13916	1.9
227.11758	5.1
235.08679	4.1
236.09465	4.8
237.10368	2.6
248.09438	2.1
249.10268	5.1
250.11226	2.9
251.11884	4.3
253.09868	2.7
253.13356	2.9
261.10312	1.6
263.11987	2.3
265.09601	1.9
277.09833	2.6
279.11349	5.8
285.12433	2.7
311.14108	2.1
314.12970	3.2
316.14648	2.4
325.11972	2.9
326.12671	3.1
327.13733	3.8
328.14508	5.0
339.13647	3.0
342.12485	6.5
342.16199	4.7
343.13013	2.7
354.12491	2.9
355.13144	2.5
356.13995	6.1
357.14893	3.6
358.15576	2.9
366.46390	1.7
368.13959	5.2
369.14536	2.7
370.15558	6.4
382.15918	2.9
383.16623	4.1
384.17139	5.4
412.16663	4.5
419.14441	2.1
426.18137	3.4
430.17520	3.3
433.16568	3.5
435.18079	2.4
444.19312	11.2
447.18292	2.2
449.19952	7.6
463.21457	2.7
470.17520	2.9
477.23123	3.9
502.19736	2.4
504.21716	2.2
519.24060	2.3
533.25610	1.9
551.26489	18.8
552.27161	3.0
579.25989	21.4
580.26465	4.2
597.27087	6.1
607.25482	11.4
611.28680	77.6
612.28723	13.2
621.27557	3.6
621.38745	2.5
639.28156	100.0
639.39557	8.2
640.28546	13.2
664.31610	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2818
Annotation	Cucurbitacin B 2-sulfate
Peak:m/z	Relative Intensity
62.68131	1.0
67.09274	1.0
71.32114	1.7
79.05493	1.6
81.07056	2.2
91.05509	1.3
93.07027	1.3
95.08620	1.3
104.82056	1.1
147.11696	1.7
209.40472	1.3
231.65451	1.2
335.83896	1.2
338.16364	1.2
376.16510	1.6
381.20392	1.4
388.17596	1.2
389.17853	3.3
390.18524	3.2
401.17776	1.5
402.18475	1.5
403.19061	3.1
404.20233	4.0
405.20798	3.5
409.20569	1.7
413.18201	1.2
415.19217	3.9
416.19940	2.5
417.20581	3.6
418.17603	2.1
419.22485	2.7
422.21191	1.3
427.19205	2.2
429.20740	2.7
430.22000	2.6
431.17993	2.6
431.23010	1.8
432.18753	1.7
433.20261	4.1
435.17923	1.8
443.22491	1.8
444.18625	1.3
445.19275	1.7
445.24506	2.3
446.20798	2.4
447.21329	5.8
448.22025	1.6
449.19595	2.2
450.20901	2.6
459.21680	3.6
463.21671	1.8
469.19800	1.2
470.21048	1.7
472.22095	1.7
473.19797	5.4
474.20197	3.3
475.21536	7.3
476.21466	2.0
484.22565	2.2
485.23526	2.7
486.20987	1.8
487.21497	6.4
488.22269	7.0
489.22470	2.8
491.20895	4.6
492.21381	1.7
501.22870	7.1
502.23288	4.1
503.24670	1.6
506.26611	2.9
515.20392	1.5
517.23303	1.5
519.23883	2.0
524.23810	1.3
533.25543	6.6
534.26453	9.3
543.24451	2.4
547.23566	1.5
551.23242	2.5
559.23175	1.7
560.24451	1.5
561.24945	54.2
562.25299	8.1
568.26685	1.6
571.23389	6.3
581.35913	1.7
589.24371	11.5
590.25049	2.2
593.27856	2.1
596.26276	6.3
597.26727	3.6
603.25684	6.2
607.24976	2.6
611.24890	4.5
621.27087	100.0
622.27362	16.0
639.27832	71.8
639.40137	16.5
640.28827	10.9
640.39563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01876	0.7
55.05518	3.9
56.05033	0.5
57.03430	0.7
57.07072	1.8
58.06602	6.2
65.03933	0.8
67.05514	5.0
69.03439	1.8
69.07063	1.7
69.58002	2.0
70.06586	0.6
71.04990	2.4
72.08161	12.0
73.06558	2.4
79.05493	4.1
81.03429	2.2
81.07065	4.3
83.04980	2.2
83.08624	0.5
84.08147	0.8
85.02905	1.1
85.06557	0.9
86.09711	20.5
91.05465	3.0
93.03416	0.4
93.07052	3.6
95.04977	1.4
95.08602	2.9
97.02879	0.8
97.06526	0.8
98.06087	0.7
98.09782	0.4
100.11260	100.0
101.06026	2.8
101.11596	1.7
105.07037	3.2
106.93325	0.4
107.08591	2.2
109.02859	0.8
109.10172	1.2
111.04475	0.4
111.08090	0.4
112.73605	0.4
115.05425	0.5
117.07034	1.3
119.08563	2.2
121.06538	0.8
121.10140	1.5
123.11735	0.5
125.09646	0.3
127.03884	0.5
128.06216	1.3
129.07002	1.6
131.08554	2.0
133.10167	1.2
135.08012	0.4
135.11703	0.8
137.05919	0.4
140.14320	3.5
141.07042	0.6
143.08571	1.3
144.04175	0.3
145.06528	0.9
145.10155	1.1
146.11758	2.4
147.08099	0.6
147.11717	1.0
154.12234	2.0
154.15926	0.6
155.08577	1.3
156.09244	0.4
157.06581	0.4
157.10118	1.0
159.08087	0.9
159.11638	0.6
161.13200	0.6
167.08580	0.6
168.09328	0.4
169.10132	1.1
171.08022	0.5
171.11702	0.9
172.13353	2.4
173.09511	0.4
173.13297	0.8
179.08618	0.5
181.10168	0.6
181.84383	0.3
182.11893	0.4
183.08006	0.5
183.11656	0.7
185.09546	0.7
185.13313	0.4
193.10132	0.5
195.07870	0.4
195.11725	0.7
197.09656	0.5
197.13298	0.4
199.11240	0.7
200.16476	1.2
205.10101	0.4
206.10901	0.6
207.11761	0.5
211.11111	0.6
211.14470	0.8
213.12755	0.4
214.14371	1.1
219.11845	0.5
223.11246	0.5
223.14702	0.5
225.12726	0.5
227.11696	0.4
228.15968	6.6
228.18108	0.7
229.10016	0.4
229.12236	0.5
231.11768	0.4
247.14996	0.4
259.13342	0.9
285.21716	6.8
299.23294	7.7
325.14346	0.5
327.22787	14.8
328.23001	0.5
367.26318	0.4
395.25381	1.0
412.31711	0.8
440.31116	2.9
458.32306	5.3
458.38367	0.6
459.32388	0.6
484.33856	0.7
512.33179	0.5
526.34802	0.7
538.72449	0.4
561.24933	0.8
575.22571	0.4
579.26013	0.8
581.35590	0.4
597.27307	0.8
607.25391	1.4
611.43787	29.2
612.44080	3.4
621.27264	0.6
621.38165	1.1
639.27698	1.7
639.41028	9.9
640.28729	0.6
640.40619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03937	2.3
55.01864	3.5
57.03434	2.2
61.02914	1.2
65.03934	0.8
68.99798	1.5
69.03434	9.9
69.35302	3.1
70.06599	1.7
71.04996	1.1
73.02907	2.2
77.03918	0.6
78.04709	1.3
78.65005	0.5
79.05483	4.0
81.02980	0.8
81.03420	10.2
81.07072	0.7
83.01314	0.6
85.02906	23.4
86.03248	0.6
87.00833	7.6
91.03967	0.5
91.05482	7.3
93.03432	0.7
95.04971	1.3
97.02888	7.8
99.04448	3.6
101.02370	0.5
103.05460	2.8
105.01879	4.9
105.03385	2.0
105.07027	7.6
106.04166	1.6
107.04957	10.1
108.04483	0.6
108.05359	0.6
109.02881	10.6
115.03912	1.0
115.05445	3.1
116.07069	0.9
117.01798	0.9
117.07012	3.7
118.04194	0.7
119.04951	7.1
121.06544	0.7
122.03683	0.8
123.04440	4.2
124.05225	2.5
125.06021	0.6
127.03913	17.6
128.06201	1.1
129.01819	1.5
129.07007	4.0
131.04916	4.4
132.05666	1.9
133.02914	0.6
133.06506	7.1
137.05963	1.5
139.83432	0.5
140.04669	1.0
141.06902	0.8
145.04959	6.8
145.06477	11.8
147.03157	0.8
147.04407	23.4
148.04694	0.6
149.05962	2.1
151.03923	1.3
152.04680	1.6
153.05432	2.6
155.04874	1.1
155.07036	0.9
157.06490	1.4
159.02884	7.4
160.05174	0.6
161.05977	25.0
162.06357	1.2
165.05486	1.8
165.06938	0.6
167.07040	100.0
168.07362	3.0
169.06483	1.0
172.05205	0.6
173.05978	31.3
174.06343	1.8
175.07559	0.9
177.05496	1.8
178.07802	1.6
179.07031	3.1
179.08522	1.0
180.07796	2.8
181.04976	0.8
181.08571	1.7
185.05972	10.8
187.07549	1.9
189.03951	0.7
189.05450	0.7
189.06953	1.2
190.07727	1.3
191.07053	8.7
191.08620	1.4
192.07811	3.0
193.08603	9.6
193.10158	0.7
197.05962	0.7
202.07799	1.6
203.06943	4.0
203.08640	2.7
205.06355	0.6
205.10150	0.8
206.07257	1.8
207.08022	1.5
209.08083	2.1
213.03889	0.7
215.06923	1.1
215.08720	1.0
215.17543	0.6
217.06587	0.9
218.07256	2.8
219.08044	3.3
220.08780	0.5
221.06093	0.6
221.09616	5.6
223.07451	0.6
231.05028	4.2
231.07996	2.6
232.08762	1.0
233.09575	2.2
234.06642	2.9
235.07516	4.1
236.08278	1.5
239.10559	0.6
245.06036	0.8
246.06723	0.9
247.07451	4.1
248.08240	1.2
249.09067	5.7
251.06876	1.2
251.10703	0.7
252.07866	1.6
253.08589	0.8
260.08359	1.1
261.09207	2.5
263.06973	2.1
264.07834	2.1
265.08542	0.6
266.09433	0.8
267.10153	6.6
268.10565	0.8
275.07132	2.9
275.09897	0.7
276.07791	1.4
277.08557	3.9
277.15921	0.5
278.09119	1.0
279.10165	2.3
280.07297	0.8
281.08484	0.8
281.11682	4.3
289.08554	2.1
291.10019	0.7
292.07379	0.9
293.08029	1.2
293.11115	0.6
294.08978	1.1
295.09637	7.1
296.10260	1.9
297.07663	0.6
305.84146	0.4
306.08801	0.9
307.09595	6.1
308.10379	1.0
309.11194	4.4
311.09082	0.9
312.09955	5.3
319.09714	0.6
321.11243	1.4
325.10593	0.9
327.12253	68.2
328.12607	5.8
337.10663	1.0
339.12283	26.9
340.12607	2.0
341.13779	1.1
349.10709	0.5
351.12234	4.1
357.13217	3.0
363.12048	1.2
369.13367	3.7
381.13300	1.8
393.13342	1.6
417.13168	2.2
435.14093	1.3
521.14325	0.9
539.15302	1.5
557.16595	0.8
575.16852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.6
53.03880	1.2
53.73913	0.5
55.01813	1.0
58.70436	0.5
60.06073	0.5
65.03854	3.9
65.82387	0.5
67.05416	1.7
67.05745	0.6
67.29145	0.5
69.03358	1.1
78.04618	1.6
79.05395	3.0
82.04128	1.4
85.02799	2.5
89.03839	0.7
89.47047	0.5
91.05375	4.8
93.03339	1.1
93.06960	0.6
95.04856	2.5
97.06411	1.7
98.22540	0.9
98.37238	0.6
103.05470	4.1
105.03331	0.8
105.06908	4.7
106.04098	0.8
107.04952	5.2
109.02826	0.5
109.06452	1.1
110.03542	2.4
110.04211	0.6
111.04321	2.2
115.05461	6.8
117.07039	8.3
118.04051	1.6
119.04800	2.1
119.05536	0.6
119.61417	0.5
120.05627	0.8
121.06390	0.7
123.04453	4.6
124.05064	1.5
125.05865	1.7
127.05348	1.2
129.06862	0.7
131.04816	2.5
133.02710	1.7
133.06508	4.0
134.03635	0.7
135.04280	2.1
137.05989	5.4
138.03011	1.4
139.03761	0.9
140.04626	0.7
142.02499	2.1
143.04787	2.6
145.06497	11.1
145.44150	0.6
147.04401	3.1
147.07959	0.9
148.05209	2.8
149.05931	0.8
151.03870	1.3
151.07396	0.8
152.04640	1.4
153.01866	3.7
153.05324	1.6
155.04807	0.7
155.06015	4.8
158.21342	0.6
159.04272	1.1
160.05084	1.0
161.05957	3.1
163.03778	2.2
163.07501	1.3
165.05516	7.2
165.09016	1.2
167.07050	49.1
168.07310	1.2
171.04283	0.7
171.06607	3.4
173.05995	17.4
174.06462	0.7
175.07397	2.0
177.05354	1.5
178.06197	1.1
179.06871	1.7
180.07648	0.8
180.60962	0.6
181.04964	71.8
182.05251	1.6
189.05406	1.0
190.06256	0.8
191.06882	2.1
193.04941	1.0
193.08516	1.5
194.09410	6.9
195.06381	1.0
201.05344	2.3
203.03285	2.0
203.07011	4.0
205.04918	0.6
205.08629	5.5
207.06419	1.5
208.07233	1.1
209.07962	1.0
219.06430	3.0
220.07321	3.9
221.07845	1.1
225.07637	2.9
229.04834	2.3
231.06522	1.9
233.08078	6.8
234.08713	1.7
235.07779	0.5
235.09644	5.1
241.04837	0.6
242.05640	2.4
250.06168	0.9
251.06874	0.8
257.04449	36.3
258.05078	4.9
263.06848	0.8
265.08591	0.9
270.05148	1.1
271.05847	1.1
285.03781	1.6
286.04691	7.7
287.02402	1.1
287.05484	21.7
288.05908	1.1
293.08011	0.7
297.11127	0.7
300.06250	0.7
301.06982	1.1
310.08316	0.8
311.05493	25.7
312.05664	2.2
325.07034	0.8
325.10773	0.6
355.11813	0.8
357.13284	4.7
385.12836	21.8
386.13547	3.5
387.14215	2.9
393.09763	1.2
397.12839	1.1
398.13733	1.4
406.06894	0.8
407.07568	0.7
415.13895	2.2
416.14728	8.6
417.15439	11.8
421.09134	2.6
479.13382	100.0
480.07553	0.5
480.13721	11.4
611.21216	2.9
641.22327	32.7
641.31329	1.3
642.22620	5.3
647.02606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.6
53.03880	1.2
53.73913	0.5
55.01813	1.0
58.70436	0.5
60.06073	0.5
65.03854	3.9
65.82387	0.5
67.05416	1.7
67.05745	0.6
67.29145	0.5
69.03358	1.1
78.04618	1.6
79.05395	3.0
82.04128	1.4
85.02799	2.5
89.03839	0.7
89.47047	0.5
91.05375	4.8
93.03339	1.1
93.06960	0.6
95.04856	2.5
97.06411	1.7
98.22540	0.9
98.37238	0.6
103.05470	4.1
105.03331	0.8
105.06908	4.7
106.04098	0.8
107.04952	5.2
109.02826	0.5
109.06452	1.1
110.03542	2.4
110.04211	0.6
111.04321	2.2
115.05461	6.8
117.07039	8.3
118.04051	1.6
119.04800	2.1
119.05536	0.6
119.61417	0.5
120.05627	0.8
121.06390	0.7
123.04453	4.6
124.05064	1.5
125.05865	1.7
127.05348	1.2
129.06862	0.7
131.04816	2.5
133.02710	1.7
133.06508	4.0
134.03635	0.7
135.04280	2.1
137.05989	5.4
138.03011	1.4
139.03761	0.9
140.04626	0.7
142.02499	2.1
143.04787	2.6
145.06497	11.1
145.44150	0.6
147.04401	3.1
147.07959	0.9
148.05209	2.8
149.05931	0.8
151.03870	1.3
151.07396	0.8
152.04640	1.4
153.01866	3.7
153.05324	1.6
155.04807	0.7
155.06015	4.8
158.21342	0.6
159.04272	1.1
160.05084	1.0
161.05957	3.1
163.03778	2.2
163.07501	1.3
165.05516	7.2
165.09016	1.2
167.07050	49.1
168.07310	1.2
171.04283	0.7
171.06607	3.4
173.05995	17.4
174.06462	0.7
175.07397	2.0
177.05354	1.5
178.06197	1.1
179.06871	1.7
180.07648	0.8
180.60962	0.6
181.04964	71.8
182.05251	1.6
189.05406	1.0
190.06256	0.8
191.06882	2.1
193.04941	1.0
193.08516	1.5
194.09410	6.9
195.06381	1.0
201.05344	2.3
203.03285	2.0
203.07011	4.0
205.04918	0.6
205.08629	5.5
207.06419	1.5
208.07233	1.1
209.07962	1.0
219.06430	3.0
220.07321	3.9
221.07845	1.1
225.07637	2.9
229.04834	2.3
231.06522	1.9
233.08078	6.8
234.08713	1.7
235.07779	0.5
235.09644	5.1
241.04837	0.6
242.05640	2.4
250.06168	0.9
251.06874	0.8
257.04449	36.3
258.05078	4.9
263.06848	0.8
265.08591	0.9
270.05148	1.1
271.05847	1.1
285.03781	1.6
286.04691	7.7
287.02402	1.1
287.05484	21.7
288.05908	1.1
293.08011	0.7
297.11127	0.7
300.06250	0.7
301.06982	1.1
310.08316	0.8
311.05493	25.7
312.05664	2.2
325.07034	0.8
325.10773	0.6
355.11813	0.8
357.13284	4.7
385.12836	21.8
386.13547	3.5
387.14215	2.9
393.09763	1.2
397.12839	1.1
398.13733	1.4
406.06894	0.8
407.07568	0.7
415.13895	2.2
416.14728	8.6
417.15439	11.8
421.09134	2.6
479.13382	100.0
480.07553	0.5
480.13721	11.4
611.21216	2.9
641.22327	32.7
641.31329	1.3
642.22620	5.3
647.02606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01858	1.4
55.10354	0.5
61.80727	0.5
65.03941	6.5
65.07185	0.4
67.05504	3.4
69.03410	1.7
69.62571	3.1
77.20215	0.5
78.04697	1.8
78.48318	0.5
79.05500	3.6
81.03405	1.1
82.04181	2.4
85.02906	4.5
91.05483	7.6
92.02597	0.6
92.06248	0.7
93.03382	1.7
95.04993	3.5
97.06505	1.7
98.22604	0.8
103.05472	3.8
104.92188	0.5
105.03373	0.7
105.04508	0.7
105.06982	1.7
106.04157	1.3
107.04386	0.7
107.04964	7.6
108.02060	1.5
109.06511	1.9
110.03674	2.9
111.04445	1.6
115.05455	8.9
117.07021	12.4
118.04160	0.9
119.04932	2.1
120.05717	1.2
121.06458	0.6
123.00726	0.8
123.04437	5.3
124.05186	1.0
125.05966	2.4
127.05414	2.0
128.06187	0.8
129.07014	0.9
131.04932	2.7
132.05713	0.7
133.06477	0.9
134.72003	0.6
135.04396	1.6
137.05971	6.8
138.03110	2.1
139.07553	0.6
142.02649	3.8
143.04916	1.4
144.05632	1.3
145.06488	16.3
147.04442	1.8
147.08072	1.6
148.05203	3.3
149.05916	0.6
151.03922	1.7
151.07614	0.8
152.04683	1.6
153.05461	2.5
154.06209	0.7
155.06009	6.9
155.07086	0.9
157.06467	0.9
158.03558	0.6
159.04376	0.8
160.05159	1.3
161.06055	3.0
161.07191	0.6
163.07512	0.9
165.05486	8.7
165.09279	0.7
166.06100	0.7
167.07042	68.1
168.07375	1.9
171.04352	1.4
171.06584	4.3
173.05988	25.9
174.06534	1.0
175.07536	3.2
176.04646	0.9
177.05507	2.1
179.07069	1.4
180.04207	1.5
181.04958	100.0
182.05286	3.4
185.06000	0.7
188.04651	0.6
189.05446	1.5
190.06276	0.7
191.07040	3.2
193.04977	0.7
195.06531	1.7
197.08072	0.7
201.05542	3.1
203.07025	3.9
205.04874	1.6
205.08568	7.9
207.06517	1.5
208.07216	1.0
209.08047	1.1
211.07495	0.7
217.08505	1.3
219.06438	3.9
220.07211	4.7
221.07953	1.2
225.07524	5.7
231.06465	3.1
233.06036	0.5
233.08072	9.8
234.08911	3.8
235.09616	7.3
237.09262	0.6
263.06873	0.9
265.08618	0.9
276.07568	0.6
283.09537	0.8
284.80588	0.6
294.09167	0.8
297.11343	0.7
298.72153	0.5
310.08380	0.8
325.10828	1.1
326.11893	0.8
339.08542	0.7
355.11850	1.4
357.13309	4.4
367.11731	0.9
368.12259	0.7
385.12811	32.8
386.13373	6.8
387.14349	4.5
397.13046	1.0
398.13852	1.6
401.12607	0.7
415.13763	3.1
416.14673	11.5
417.15396	16.0
418.15506	1.3
586.92346	0.6
611.21124	3.4
641.22266	43.3
642.22546	7.0
652.07416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19670	0.4
53.03947	1.2
55.01875	2.1
56.36612	0.5
57.03440	0.9
65.03940	7.1
67.05502	4.3
68.99790	0.6
69.03437	2.4
69.07063	1.7
69.31570	0.5
70.06583	0.5
71.01340	0.4
71.05009	0.8
78.04716	2.1
79.05491	6.7
81.03428	2.2
81.07044	2.7
82.04213	2.7
85.02908	5.8
86.09719	0.6
91.05483	10.2
92.06276	0.9
93.03395	1.6
93.07038	2.0
94.04207	0.6
95.04974	4.2
95.08608	1.6
97.02882	1.5
97.03526	0.5
97.06544	2.3
98.22529	0.7
103.05460	4.2
105.03397	1.0
105.07035	1.9
106.04157	1.1
107.04960	13.6
107.08600	0.9
108.02119	1.8
109.02896	0.9
109.06514	1.8
109.10173	1.0
110.03666	3.7
111.04452	2.0
111.08047	0.6
115.05465	10.4
116.06217	0.7
117.07029	11.0
119.04943	2.8
119.08578	1.2
120.05724	1.6
121.02863	6.5
121.06508	1.4
121.10168	1.4
123.00786	0.5
123.04432	7.1
123.11726	0.6
124.05225	3.0
125.05982	3.0
127.03924	1.2
127.05441	1.7
128.06229	1.4
129.07018	1.6
130.04144	1.1
131.04947	4.6
131.08533	0.7
133.02843	0.9
133.04910	0.6
133.06494	1.8
133.10133	0.7
135.04422	2.5
135.11725	0.5
136.37201	0.5
137.05992	7.9
137.09605	0.6
138.03114	1.7
139.03886	1.1
141.01924	0.5
142.02620	2.5
143.04941	2.8
144.05675	0.9
145.06485	20.2
145.10092	0.8
147.04440	3.2
147.08075	1.3
147.46684	0.4
148.05190	3.7
149.05971	0.9
151.03900	1.6
151.07584	1.8
152.04660	2.3
153.01837	1.2
153.05435	2.6
155.04893	1.2
155.06024	7.0
155.07095	0.7
158.03630	0.6
158.07220	0.6
159.04410	1.7
159.08144	0.6
160.05168	1.4
161.04781	0.5
161.05923	2.9
161.09595	0.6
162.06691	0.7
162.50302	0.5
163.03929	0.8
163.07516	1.0
165.05496	8.6
165.09109	2.4
166.06184	0.7
167.07048	67.1
168.07419	1.8
171.04388	0.9
171.06529	4.6
172.05165	1.1
173.05994	23.6
174.06671	1.8
175.03917	1.0
175.07561	3.5
176.04707	1.6
177.05487	2.7
179.06975	0.9
180.04216	0.6
180.07813	0.8
181.04965	100.0
182.05246	2.4
187.03847	0.7
187.11098	0.5
188.04732	0.7
189.05472	1.5
189.09137	1.4
190.06201	1.3
191.07042	8.1
193.05028	1.0
193.08540	0.8
195.06543	2.3
197.08115	0.9
200.04533	0.6
201.05470	10.3
202.06133	2.1
203.07021	7.7
204.07556	0.7
205.04973	2.0
205.08601	9.7
207.06480	1.3
208.07289	0.9
209.07986	0.9
213.05475	0.8
217.08612	3.7
219.04550	0.9
219.06512	10.7
219.08408	0.8
220.07321	4.1
221.08025	1.2
225.07594	3.9
231.06525	1.9
232.07056	0.6
233.08096	18.4
234.08849	9.5
235.09674	7.2
237.09145	0.6
247.07642	0.6
248.07898	0.6
249.18497	0.6
250.06331	0.8
263.07016	0.9
265.08594	0.6
269.08316	0.5
275.92041	0.5
276.07867	1.0
277.08612	0.6
287.05426	3.9
292.07178	0.6
293.08081	1.0
294.08890	0.6
297.11139	0.5
299.08859	0.5
307.09625	1.1
310.08279	0.9
323.09045	0.7
323.22162	1.0
325.10587	1.2
326.11328	1.0
337.10535	0.9
341.23254	2.9
343.12186	0.5
353.10181	0.7
355.11713	1.5
356.12302	0.6
357.09818	0.5
357.13409	4.1
359.11383	3.3
359.24261	0.6
365.10168	0.8
367.11722	0.8
373.12842	0.6
383.11331	0.9
385.12823	25.5
386.13422	4.5
387.14371	8.1
388.14560	0.6
397.12784	2.5
398.13531	1.4
415.13922	8.5
416.14639	13.0
417.15421	12.1
418.15414	0.7
430.12460	1.4
479.12454	0.6
597.27454	0.8
611.21539	2.8
641.22058	32.0
642.22394	3.7
642.33936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
62.19427	0.5
64.47974	0.4
64.59988	0.4
65.87762	0.4
67.05468	0.9
71.31496	0.6
71.91740	0.4
77.48655	0.5
78.53120	0.4
79.05463	0.9
81.07014	0.6
86.60635	0.4
89.17655	0.4
91.05436	0.5
93.07006	0.8
93.74188	0.4
95.04947	0.4
95.08562	0.5
95.39990	0.4
107.08558	0.7
119.08542	1.0
121.10086	0.6
135.11545	0.6
136.90201	0.4
143.08411	0.6
376.32391	0.5
396.13129	0.9
397.13840	0.6
407.11359	1.1
408.12045	1.6
409.12988	1.4
410.14319	1.6
411.15234	1.0
414.14523	1.3
420.12387	0.8
421.12915	4.8
422.13617	9.0
423.14630	5.5
424.15637	2.5
425.16193	1.8
427.14438	0.7
428.16183	1.9
429.16446	0.6
435.14587	5.8
436.15390	9.5
437.16278	11.3
438.17203	2.3
439.17770	1.2
441.15717	1.7
442.17542	0.7
446.13852	0.6
449.16644	2.3
450.17322	4.6
451.18613	6.1
452.19229	3.2
453.15811	1.5
454.17291	0.6
455.17325	1.2
456.16168	0.7
457.16483	0.5
461.15787	0.8
463.14075	1.6
464.14249	5.3
465.14594	7.1
465.20602	1.1
466.15182	2.8
467.17084	1.4
468.14313	1.0
469.14948	3.1
471.18011	0.5
477.15594	1.9
478.16403	4.8
479.17200	5.5
480.18259	5.1
481.18597	1.6
482.15976	1.4
483.16788	0.8
484.17563	1.4
492.18649	1.0
493.19183	9.4
494.19135	3.0
495.16354	8.7
496.17007	2.8
498.15656	3.4
499.15515	0.5
505.14761	0.6
506.16052	2.5
507.16678	4.0
508.17502	11.7
509.18222	9.5
510.16525	1.6
510.18094	1.7
512.16956	8.3
513.17230	2.2
520.18329	0.6
521.18262	17.2
522.18286	7.1
523.19519	1.4
524.16962	1.6
525.21808	1.1
526.14215	3.1
536.18756	0.7
537.17816	1.0
538.18506	1.3
539.19086	2.7
540.17780	0.8
549.17596	2.2
550.18555	0.8
552.19678	0.7
553.20667	4.9
554.20886	0.9
581.20300	82.4
582.20593	15.5
599.21399	22.2
600.21564	4.1
609.19867	2.8
622.23059	4.8
623.23590	1.4
641.22394	100.0
642.22656	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	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05509	1.0
62.11428	0.6
67.05495	0.9
69.07063	1.3
69.43346	3.1
77.84940	0.6
79.05494	2.1
81.07053	1.6
91.05491	1.0
93.07030	1.7
95.08596	1.0
105.07037	1.1
119.08577	0.7
122.25043	0.7
133.79558	0.8
183.11569	0.7
407.11447	1.2
409.12570	0.9
410.14334	1.3
414.14447	1.0
420.12628	0.9
421.13022	4.3
422.13800	9.4
423.14752	6.3
424.15497	2.4
425.16431	0.8
428.16049	1.0
429.16953	0.8
435.14560	5.9
436.15347	8.1
437.16315	12.5
438.16586	3.0
439.17847	0.9
441.15701	2.2
447.14893	1.0
449.16351	3.0
450.17569	5.0
451.12924	1.6
451.17514	6.1
452.18268	2.9
455.17334	1.7
456.17862	0.8
463.13773	1.1
464.14340	4.7
465.14572	7.3
466.16492	2.2
467.16837	2.3
469.15253	2.8
476.84579	0.7
477.15656	2.0
478.16446	2.9
479.17535	5.2
480.17944	5.0
481.18738	1.3
482.15677	1.6
483.16440	2.1
484.17612	1.2
493.19266	9.3
494.18970	3.2
495.16473	9.6
496.17178	2.9
498.15424	3.5
506.16040	2.3
507.17001	3.7
508.17435	9.6
509.18079	7.4
510.18228	2.2
511.15536	1.3
512.17017	7.7
513.17297	2.5
521.18329	15.5
522.18170	6.7
523.15759	0.7
523.19897	1.0
524.16833	0.9
526.14648	3.0
538.18201	1.3
539.18909	1.8
549.17761	1.9
553.20520	4.8
563.18372	0.7
581.20325	75.5
582.20581	13.5
599.21356	18.3
600.22015	3.4
609.19922	2.3
622.22906	4.8
623.23895	1.0
641.22314	100.0
642.22772	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.05490	0.4
56.96544	0.4
62.30568	0.4
65.03942	0.7
67.05508	1.1
71.05002	0.4
79.05474	0.6
81.07069	1.3
85.02888	0.9
91.05482	0.9
93.07053	0.5
95.04961	0.9
95.08608	0.4
97.02897	0.5
97.62170	0.4
100.95912	0.4
105.07044	1.0
107.04945	0.6
109.06519	0.5
109.10126	0.7
110.03606	0.4
115.05424	0.6
117.07026	0.8
121.10130	0.4
127.03947	0.4
137.06009	1.2
145.06505	1.1
149.02403	0.6
153.01846	0.6
165.05493	0.7
165.09164	2.6
167.07047	4.4
173.06026	1.3
175.07570	0.5
177.05449	0.6
181.04971	6.3
181.06493	0.7
203.07051	0.5
205.08522	0.5
233.08209	0.4
245.08043	0.6
257.04535	1.7
258.04971	0.4
261.07419	0.6
275.11011	3.5
286.04758	0.5
287.05481	0.6
297.04053	0.9
317.13538	1.1
347.09485	0.9
363.08957	0.6
385.12775	1.9
416.13879	0.5
417.15280	0.9
419.15137	2.9
423.12357	0.5
437.10229	0.7
437.16330	13.3
438.16553	1.0
463.95392	0.4
479.09686	2.6
479.18985	3.6
509.76157	0.4
585.17877	0.9
641.24072	100.0
642.24451	12.5
642.34351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21591	0.3
53.63430	0.3
58.40222	0.4
67.05484	0.4
70.33880	0.5
70.34224	1.2
79.05503	0.4
81.07131	0.4
91.05525	0.7
92.56175	0.3
93.07084	0.7
95.08620	0.7
101.87222	0.4
105.07034	0.5
107.08602	0.4
117.81628	0.4
119.08570	0.5
122.66747	0.4
124.93708	0.5
159.11720	0.4
183.09210	0.4
196.86676	0.4
197.10805	0.5
199.12523	0.4
211.12352	0.4
221.10767	0.7
223.08832	0.7
223.12424	0.7
232.26520	0.4
237.10249	0.6
241.13524	0.5
249.10406	0.5
251.11679	0.5
253.59550	0.4
269.13080	0.4
286.99292	0.5
326.12979	0.6
328.14526	0.8
330.15988	0.5
342.16306	0.6
377.17786	0.6
390.18561	0.9
391.19354	1.6
398.19836	0.4
403.15189	0.5
404.16110	0.8
405.21042	1.2
406.22021	1.0
407.22794	0.5
412.20306	0.7
417.17062	0.6
418.18118	1.5
419.18372	2.6
420.23596	0.7
430.21277	2.6
432.19833	0.9
433.20517	3.9
434.20975	2.2
435.21844	1.4
437.20282	0.7
439.17587	0.5
445.20520	0.7
446.17038	0.7
447.17844	1.5
447.22308	1.8
448.22629	1.5
449.23529	1.5
451.21365	0.7
461.19540	11.1
462.20367	4.7
463.21201	1.7
465.18982	1.9
467.24594	2.6
468.24905	0.4
475.21332	0.9
476.22235	3.0
477.22879	3.4
478.23163	0.8
479.21085	1.3
480.21597	0.9
489.22885	0.5
493.22498	1.3
494.16446	0.6
494.22644	2.5
495.24194	2.0
505.22537	1.2
507.24097	1.2
520.25085	0.6
521.22626	1.6
522.25708	0.8
533.22174	0.6
535.26569	1.3
537.25592	0.5
539.23102	0.8
548.23944	3.2
549.24866	1.9
553.28210	1.1
563.26752	5.1
564.26697	1.3
565.24957	1.3
580.24744	0.5
581.27698	11.0
582.27887	1.5
591.22668	0.7
593.23621	0.8
597.27667	0.9
608.25916	2.2
609.24158	2.4
612.25616	0.7
623.27325	3.1
624.26215	1.1
626.27319	0.5
641.29742	100.0
642.30103	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.12572	0.6
52.74236	0.5
56.48729	0.5
67.05532	0.6
79.05512	0.6
81.07072	0.9
93.07050	0.9
105.07037	0.7
121.10189	0.6
121.23573	0.5
160.11685	0.5
197.10867	0.6
205.77818	0.5
209.10721	0.7
223.12329	0.9
251.11804	0.7
263.11890	1.1
283.14325	0.6
286.99228	0.7
328.14542	0.7
338.13000	0.6
375.16257	0.8
377.18079	0.7
389.17563	0.9
390.18655	1.4
391.19293	1.7
392.20135	0.7
396.17212	0.5
405.21106	0.9
406.21628	0.9
412.20090	0.9
416.93082	0.6
417.17200	0.7
418.17743	1.1
419.18259	2.5
420.18796	0.6
420.23590	0.7
430.21429	2.3
432.19595	1.0
433.20209	3.7
434.21014	2.2
435.22260	0.9
437.19464	0.6
446.16907	0.8
447.17590	1.5
447.22748	1.2
448.22849	1.0
449.24286	0.7
459.22052	0.6
461.19547	11.5
462.20291	5.9
463.21036	1.2
465.19479	2.2
467.24597	2.3
475.21600	1.6
476.22202	3.2
477.23233	3.2
479.20816	1.1
480.21637	0.9
481.22433	0.7
489.23123	1.0
493.22369	1.1
494.22153	2.5
495.23843	2.1
505.22842	0.6
506.23389	0.8
520.24634	0.7
521.22491	1.7
522.25824	1.4
533.22083	0.6
535.26868	0.7
537.25769	0.5
538.25842	0.7
547.26666	0.6
548.24170	3.2
549.24969	2.0
553.28357	1.4
563.26715	5.4
564.26398	0.6
565.24579	1.8
566.24945	0.8
581.27765	9.2
582.28021	1.7
608.26355	1.7
609.25879	1.7
623.27179	2.1
624.26917	0.9
626.27209	0.7
641.29749	100.0
642.30029	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12572	0.6
52.74236	0.5
56.48729	0.5
67.05532	0.6
79.05512	0.6
81.07072	0.9
93.07050	0.9
105.07037	0.7
121.10189	0.6
121.23573	0.5
160.11685	0.5
197.10867	0.6
205.77818	0.5
209.10721	0.7
223.12329	0.9
251.11804	0.7
263.11890	1.1
283.14325	0.6
286.99228	0.7
328.14542	0.7
338.13000	0.6
375.16257	0.8
377.18079	0.7
389.17563	0.9
390.18655	1.4
391.19293	1.7
392.20135	0.7
396.17212	0.5
405.21106	0.9
406.21628	0.9
412.20090	0.9
416.93082	0.6
417.17200	0.7
418.17743	1.1
419.18259	2.5
420.18796	0.6
420.23590	0.7
430.21429	2.3
432.19595	1.0
433.20209	3.7
434.21014	2.2
435.22260	0.9
437.19464	0.6
446.16907	0.8
447.17590	1.5
447.22748	1.2
448.22849	1.0
449.24286	0.7
459.22052	0.6
461.19547	11.5
462.20291	5.9
463.21036	1.2
465.19479	2.2
467.24597	2.3
475.21600	1.6
476.22202	3.2
477.23233	3.2
479.20816	1.1
480.21637	0.9
481.22433	0.7
489.23123	1.0
493.22369	1.1
494.22153	2.5
495.23843	2.1
505.22842	0.6
506.23389	0.8
520.24634	0.7
521.22491	1.7
522.25824	1.4
533.22083	0.6
535.26868	0.7
537.25769	0.5
538.25842	0.7
547.26666	0.6
548.24170	3.2
549.24969	2.0
553.28357	1.4
563.26715	5.4
564.26398	0.6
565.24579	1.8
566.24945	0.8
581.27765	9.2
582.28021	1.7
608.26355	1.7
609.25879	1.7
623.27179	2.1
624.26917	0.9
626.27209	0.7
641.29749	100.0
642.30029	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	641.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33298	1.9
62.74146	2.2
63.80207	1.7
69.49585	7.7
76.88942	2.6
91.05469	1.9
93.07053	2.7
198.97479	2.3
202.51453	2.0
235.12231	2.0
237.55043	2.6
380.55219	2.1
389.17273	2.6
402.18494	2.2
403.19174	4.8
405.20871	2.9
415.19147	3.9
416.19861	2.9
417.20880	3.1
418.21289	4.5
419.22238	2.7
429.20642	4.3
430.21765	3.5
433.23785	7.3
434.24695	2.7
444.18613	2.3
445.23889	7.1
446.25168	2.6
447.25787	2.4
460.23151	2.4
462.20248	4.9
463.20932	5.0
472.22107	2.2
473.23621	5.1
474.24097	3.2
475.21469	6.1
477.22821	17.9
478.22989	5.3
487.24966	8.2
491.24313	5.2
505.26010	4.2
519.27936	3.8
535.23444	4.1
545.25446	9.1
547.26996	18.1
548.26941	3.6
549.24933	15.1
550.25684	21.4
563.26434	4.1
579.29523	11.3
591.25800	15.6
605.27637	24.6
606.27228	4.9
623.28619	100.0
624.28802	14.1
641.40814	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	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.27126	0.7
55.05507	1.1
67.05508	2.0
69.06065	3.6
69.06467	1.0
69.07075	0.7
79.05491	1.1
80.17793	0.5
81.07067	1.7
91.05493	1.5
93.07064	1.3
95.08620	1.3
104.99273	0.6
105.07059	1.0
107.08600	0.8
119.08638	0.7
131.08577	0.9
145.10075	0.7
162.05344	0.6
165.89021	0.5
185.10660	0.9
185.21249	0.5
188.03348	0.8
196.09985	0.9
197.10803	1.4
209.10701	1.2
210.11562	1.0
211.12369	1.3
223.12204	0.9
224.13087	1.3
225.13977	2.0
227.11671	1.2
235.12280	0.7
237.13936	0.8
239.11761	1.4
239.15480	1.1
251.15390	0.7
260.12134	0.6
283.14255	0.7
289.17902	0.6
304.14465	0.8
307.10910	1.0
314.16458	1.1
316.14844	0.6
318.16113	1.2
319.16824	1.3
330.16040	1.0
332.17740	1.0
333.18713	0.8
334.19153	1.2
346.19284	1.5
354.12442	0.8
369.14676	0.7
375.19592	0.7
384.17133	2.1
389.17532	1.6
391.19183	1.0
392.19788	2.4
393.20483	1.9
401.17456	1.3
402.18771	1.1
403.19305	2.6
404.14734	0.6
404.20135	1.7
405.20975	1.4
406.21579	3.8
407.22229	5.2
408.22324	0.7
412.16980	1.4
415.19321	2.4
416.20084	3.0
417.20944	4.6
418.21487	3.0
419.22223	2.6
420.23026	2.3
421.23849	5.3
422.24420	6.3
426.18317	0.9
427.19177	0.8
429.21262	3.4
430.21765	2.0
431.23004	3.7
432.23489	1.2
433.23999	6.9
434.24500	6.4
443.22580	1.1
444.18430	3.7
445.19141	1.4
445.24973	3.5
446.24722	1.4
447.18082	1.8
447.25513	2.5
449.23474	2.0
459.21124	3.1
460.22565	2.6
461.18982	1.3
462.20218	3.8
463.20950	3.3
464.22525	0.7
472.22495	1.2
473.23221	4.2
474.24454	3.4
475.21201	5.2
476.22235	1.8
477.16510	0.6
477.22897	14.6
478.23373	2.0
485.23358	1.3
487.25256	4.4
489.22894	2.1
490.22217	0.7
491.24722	4.2
492.24783	0.9
503.24844	1.2
504.24759	1.2
505.26575	3.0
506.26935	3.5
515.24677	1.9
517.22491	0.7
518.22754	0.9
519.27673	2.6
531.24463	0.8
532.24725	1.7
535.22900	3.1
536.23492	0.7
545.25360	8.2
546.26221	1.7
547.27051	16.1
548.27399	2.6
549.24994	11.2
550.25793	14.6
551.25842	2.1
563.26508	2.7
564.27081	3.8
565.27856	2.2
577.28003	1.2
579.29730	9.0
580.30426	1.4
591.26013	13.2
592.26447	2.0
605.27637	18.9
606.27814	2.5
609.27032	12.3
610.26489	1.4
623.28650	100.0
624.28931	17.4
641.29608	6.1
641.42010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
65.03954	0.4
67.05498	1.0
69.03438	0.6
70.35611	1.2
74.60822	0.4
81.07068	1.2
83.04987	0.4
83.34716	0.4
85.02898	0.7
91.05487	1.1
93.07050	0.6
94.03928	0.5
95.08610	0.4
103.05457	0.4
105.07067	0.5
106.49721	0.4
109.06599	0.4
109.10180	0.5
115.05474	0.8
117.07030	0.5
119.08644	0.5
121.10121	0.5
137.05991	1.0
145.06552	0.6
147.11742	0.4
149.02356	0.6
158.15854	0.4
167.07054	3.4
167.25052	0.4
168.07448	0.5
173.06044	1.3
177.05458	0.6
181.04951	3.9
191.07054	0.4
191.10451	0.7
196.51042	0.4
206.12897	0.7
225.10014	0.4
233.11566	1.0
251.12599	0.6
257.04526	1.0
258.04941	0.4
275.16211	4.1
286.04803	1.0
287.05652	0.9
289.17603	0.8
297.03958	0.6
299.10422	0.4
303.19241	0.5
311.05231	0.5
349.23459	15.3
350.23993	1.1
361.23325	0.5
375.25070	6.2
375.29510	0.5
376.25537	0.7
385.12949	1.4
393.26166	2.3
417.15747	1.2
421.25528	3.6
435.27225	1.1
437.16974	0.4
449.28772	0.4
537.30597	3.1
555.31403	18.5
556.31769	1.7
579.30963	0.5
597.32458	42.5
598.32678	4.3
641.31519	100.0
642.22070	0.5
642.31915	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	641.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
63.53517	0.7
65.03960	0.8
65.16365	0.7
67.05511	2.2
69.03428	2.1
69.07063	1.0
69.10774	6.6
69.61420	0.7
71.04980	0.8
72.38538	0.7
79.05494	1.7
79.33188	0.7
81.03431	1.3
81.07063	2.8
85.02895	1.5
91.05503	2.1
93.07058	1.8
95.04980	1.0
95.08615	2.0
97.02925	0.8
97.06566	0.9
97.97923	0.7
105.07029	1.2
107.04981	1.1
107.08579	1.8
109.06501	0.9
109.10152	1.4
114.93304	0.7
117.07021	1.0
119.08617	2.4
121.06388	0.7
121.10201	1.6
123.04474	1.1
127.03957	0.8
129.07027	0.9
133.10115	1.1
137.06006	1.9
145.06522	1.9
151.07477	0.9
155.06053	1.1
161.06044	0.9
165.05489	1.6
165.09129	3.9
167.07040	9.6
173.05968	3.9
177.05589	1.2
179.10498	2.8
181.04976	12.3
203.06966	1.0
233.08084	1.1
257.04590	1.1
261.18356	2.3
286.04605	1.1
287.05600	2.8
297.03851	1.4
349.23520	15.9
350.23947	1.6
375.25089	9.4
376.25601	1.0
385.13019	4.2
387.14294	1.6
393.26175	2.1
416.14282	1.2
417.15674	1.5
421.25687	3.4
435.27524	1.0
461.08643	0.8
479.09940	1.7
537.30334	2.4
555.31378	20.8
556.31781	2.6
597.32471	44.9
598.32825	5.5
641.23358	4.9
641.31476	100.0
642.22943	0.8
642.31866	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	641.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14555	0.7
70.86433	0.6
77.08905	0.6
81.07038	0.8
83.63687	0.6
93.45664	0.6
105.07042	0.7
119.08595	1.0
427.09415	0.7
468.78589	0.6
641.36615	100.0
642.36877	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	641.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.7
55.01871	13.4
55.05274	3.6
55.05515	49.8
57.03429	8.1
57.07074	5.9
65.03934	10.2
67.05508	100.0
68.46330	2.9
69.03429	88.3
69.07068	32.1
69.29462	9.7
69.29883	9.5
71.01332	3.7
71.04993	62.9
73.02909	4.5
79.05492	99.0
81.03419	52.6
81.07059	95.8
83.04987	25.1
83.08634	15.5
85.02902	16.7
85.06549	21.0
91.05482	95.1
92.05804	3.4
93.07046	81.0
95.04974	33.1
95.08612	63.9
97.02897	12.7
97.06530	17.4
97.10168	8.7
98.23463	3.1
99.04445	12.0
103.05477	7.0
105.04531	4.4
105.07034	76.7
107.04964	14.3
107.08595	50.7
109.02882	27.1
109.06507	11.4
109.10155	33.0
111.04431	9.5
111.08079	7.2
113.05971	4.7
115.03907	3.2
115.05438	7.8
116.06314	4.4
117.07024	39.3
118.06512	2.4
119.08580	54.4
121.06492	16.8
121.10146	35.8
123.04444	4.2
123.08049	8.2
123.11734	9.0
125.05955	4.4
125.09626	5.9
127.03962	14.0
127.07515	3.5
128.06218	16.7
129.05475	4.3
129.07016	32.0
130.07759	3.5
131.04875	4.7
131.08585	54.9
133.06483	8.0
133.10118	35.9
134.10443	4.6
135.08047	17.1
135.11707	19.0
137.05975	5.8
137.09596	6.8
137.13232	4.0
141.07019	17.7
142.07758	9.9
143.08566	37.6
145.06497	11.9
145.10121	43.5
147.08031	19.8
147.11671	15.9
149.09637	9.2
149.13263	11.6
151.07545	3.4
151.11227	6.3
153.07008	7.3
153.09123	3.8
154.07784	4.0
155.08568	33.6
157.06494	5.2
157.10118	31.2
159.08049	15.7
159.11703	23.5
161.05951	3.5
161.09602	11.4
161.13234	11.4
163.07559	4.3
163.11122	3.6
163.14854	3.0
165.07039	8.8
165.09140	3.9
166.07857	4.4
167.08577	14.9
168.02431	2.9
168.09297	4.5
169.10155	22.5
170.10724	3.8
171.08012	8.9
171.11653	21.1
173.09615	10.8
173.13243	16.6
175.07503	3.6
175.11203	8.5
175.14775	6.9
177.09099	4.1
177.12814	3.2
179.08562	9.4
180.09227	3.7
181.10109	14.9
182.10728	3.0
183.08141	5.7
183.11705	23.2
185.09648	8.4
185.13310	13.5
187.11171	4.2
187.14787	9.9
189.12720	4.6
191.08565	3.8
191.14354	3.6
192.09303	3.8
193.10176	8.8
195.11725	16.1
197.09760	4.1
197.13258	12.5
199.11166	6.0
199.14815	10.3
201.12758	16.0
203.14313	5.4
205.10164	7.0
206.10825	3.7
207.11700	7.6
209.13243	10.1
211.11104	3.8
211.14876	7.5
213.16360	5.0
215.14418	3.3
217.15694	3.1
219.11816	5.5
219.13773	26.1
221.13214	10.6
223.14798	8.9
225.16353	5.6
227.17828	3.3
229.12158	3.5
231.11797	3.4
231.13913	3.5
233.15298	5.2
234.13968	3.5
235.14941	7.1
237.16434	4.3
239.14232	3.6
243.13849	4.1
247.14806	4.5
253.16040	4.3
259.20624	4.3
261.22095	7.2
272.88187	3.0
281.15366	3.9
289.17990	7.4
311.20157	3.5
327.16165	4.2
351.26834	6.6
369.24210	4.7
387.25214	5.0
405.26474	5.1
431.29974	2.9
461.33658	6.0
470.27240	2.8
479.35184	9.8
513.32043	7.8
521.35834	3.2
583.59583	3.5
599.25104	15.3
600.23889	4.2
605.38092	8.8
609.25928	5.7
623.29480	3.1
623.38763	17.9
641.40509	54.8
642.40967	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	642.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60350	2.2
52.29306	2.3
52.47095	2.8
55.01876	4.1
55.05508	8.2
57.07084	12.3
57.95168	2.8
67.05519	8.9
69.07091	4.2
71.08640	9.8
71.13892	4.5
79.05524	6.5
81.07059	32.7
81.76592	2.7
83.04992	2.9
83.08617	4.7
91.05455	2.6
93.07038	4.8
95.08612	14.6
97.10186	3.9
105.07072	3.1
107.08581	3.3
109.06531	11.1
109.10150	6.4
111.04449	13.0
113.24617	2.6
119.08598	3.7
121.10195	4.3
123.11723	3.5
125.06030	5.0
133.10153	6.4
135.11678	4.4
137.05980	100.0
137.13228	2.9
143.08588	2.6
147.11728	9.2
149.09651	3.9
149.13376	3.8
151.07489	3.1
157.10089	3.4
161.09668	7.3
175.11185	4.9
192.44069	2.7
199.67490	2.4
203.17960	4.9
231.17432	7.0
249.18513	5.0
277.17987	52.1
277.21039	3.3
278.18210	3.0
295.18933	12.4
313.27356	32.9
314.27692	4.5
351.21634	25.0
589.44537	63.3
590.44702	11.1
607.45380	3.9
670.45935	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	642.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76712	1.1
55.05517	5.2
57.07078	31.1
67.05497	3.1
69.07064	5.3
69.09921	1.3
70.53025	2.4
71.08634	31.9
71.22335	1.2
72.08988	1.3
73.06553	7.5
74.02914	1.1
81.07056	2.7
83.08624	5.5
85.10189	17.2
87.04466	7.5
89.06034	100.0
95.08644	2.3
97.10172	5.5
99.11726	3.6
107.07078	2.5
111.11727	3.2
113.13316	1.9
117.09122	5.8
117.84861	1.2
125.13295	1.9
127.14830	2.1
130.08589	1.5
131.07065	2.9
133.08612	45.3
155.17911	1.3
161.11728	2.0
175.09799	1.3
177.11223	17.6
211.24174	1.4
221.13884	2.6
275.26932	1.3
299.29510	6.1
343.32208	1.3
415.25647	2.4
544.41351	1.4
625.48523	2.8
643.41656	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31817	2.5
53.03950	5.3
53.65773	2.1
55.01879	5.8
55.05516	28.4
57.03446	15.9
57.07082	58.6
59.04993	2.8
60.64578	2.0
61.72297	1.9
63.16690	2.1
64.88155	2.0
65.03942	2.3
67.05508	94.7
67.96679	2.0
68.48676	2.3
69.07071	20.6
69.15533	18.6
71.04987	4.0
71.08637	43.0
73.22405	2.0
79.05500	35.3
81.03413	3.1
81.07063	70.1
83.04994	8.2
83.08624	25.1
85.06545	4.5
85.10183	18.6
91.05486	27.0
93.07056	42.9
95.04987	13.0
95.08610	49.5
96.08961	2.1
97.06536	6.2
97.10180	6.9
98.23351	5.3
99.08121	5.6
105.07038	16.3
107.04970	2.9
107.08624	16.0
109.06512	3.1
109.10164	44.3
111.08082	6.9
117.07025	7.5
119.08592	9.7
121.10167	11.3
123.11713	7.0
125.09639	2.5
131.08574	9.4
133.10152	9.4
135.11693	6.7
137.09642	2.5
137.13231	3.0
139.11206	3.8
145.10214	2.8
147.11716	4.2
149.13257	9.0
151.11232	8.5
151.14803	2.1
159.11732	4.9
161.13283	3.6
163.11250	5.0
165.12822	2.7
173.11763	12.0
177.12637	2.4
195.13885	6.3
198.79449	2.5
227.12744	8.0
229.14352	22.2
239.23689	5.9
253.14780	2.2
257.24518	2.4
259.20221	2.7
264.92993	2.2
269.17493	17.6
277.21689	14.8
313.27368	68.7
314.27646	7.3
315.90945	2.8
351.25302	20.9
467.37326	45.8
468.37460	7.7
507.40509	100.0
508.40851	9.8
552.79321	2.6
589.48035	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	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01867	2.8
55.05504	1.2
57.26866	0.6
57.34850	0.6
65.03944	7.5
66.05493	0.6
67.05510	4.3
69.03421	2.7
69.07069	1.5
69.14329	4.6
70.61178	0.6
71.01370	1.3
71.04996	1.1
76.68247	0.6
77.03922	1.3
78.04702	2.2
79.05499	6.3
81.03419	4.4
81.07050	2.6
81.46909	0.7
82.04195	2.4
83.04963	1.3
85.02898	6.3
86.09695	0.8
89.03967	0.8
90.51470	0.7
91.05477	7.8
93.03403	1.9
93.07030	2.0
94.04221	0.8
95.04964	5.3
95.08607	2.4
97.02879	1.4
97.06535	3.1
98.27880	0.6
100.11218	0.8
101.06024	0.7
103.05474	18.3
105.03372	3.2
105.04520	0.8
105.07030	8.7
106.04144	2.0
107.04948	8.7
108.02099	1.3
109.02869	1.0
109.06532	3.6
109.07197	0.8
110.03680	3.6
111.04431	3.1
115.05453	7.3
117.07018	5.9
118.04150	5.8
119.04997	3.3
119.08582	1.8
121.06514	2.7
122.03611	1.6
123.04425	9.0
123.08057	0.7
124.05220	2.6
125.05994	3.8
127.03976	1.0
127.05432	0.7
128.06221	0.8
129.07033	1.9
130.04149	1.4
131.04930	17.6
131.08565	1.4
132.05705	1.5
133.02864	4.1
133.06500	8.0
133.10080	0.8
135.04353	0.8
135.08054	2.7
136.05219	0.8
136.07605	0.9
137.05977	10.2
137.09616	0.8
138.03116	2.3
139.03906	1.3
139.07527	1.2
140.04675	1.7
141.06961	1.4
142.02605	2.3
143.04945	1.0
144.05699	1.9
145.02818	0.7
145.06503	8.1
146.03627	1.1
146.07249	1.0
147.04355	2.2
147.08083	1.8
148.05199	11.8
149.05989	3.3
151.03928	2.7
151.07541	2.6
152.04701	2.5
153.05444	6.9
155.06015	1.8
155.07127	3.5
156.05725	0.8
157.06555	0.9
159.04410	1.7
159.08037	2.0
159.11597	0.8
160.05228	1.5
161.05984	7.8
162.06720	0.8
163.07538	20.6
165.05476	6.4
165.09114	1.3
166.06247	1.1
167.07040	77.0
168.07405	2.9
171.06557	3.1
173.05983	11.4
175.03886	1.0
175.07513	3.6
176.04669	1.7
177.05437	3.5
179.07086	2.1
179.08505	0.8
180.07787	1.4
181.04959	100.0
182.05345	4.1
185.06120	0.8
187.07559	3.6
189.05496	1.1
189.09044	0.7
190.06248	1.6
191.07034	90.8
192.07436	3.0
193.05016	4.0
193.08606	2.9
195.06543	3.9
197.08076	1.2
201.05473	1.8
202.06235	0.8
203.07074	2.5
205.08537	5.3
206.07191	0.8
207.06502	5.7
207.08052	0.6
207.10196	1.7
208.07236	3.5
209.08080	2.3
211.07541	1.0
217.08627	3.8
218.07361	0.7
218.09395	1.0
219.06235	1.0
219.08211	1.2
219.10178	6.0
221.08031	1.1
223.89563	0.6
225.07550	12.0
226.08331	3.0
233.08073	7.0
234.08682	1.1
235.07579	1.4
235.09627	8.8
236.08205	0.8
237.09178	0.8
245.08195	1.6
247.09729	1.6
249.05461	1.3
252.07751	0.9
263.09180	15.6
265.08450	0.9
267.07727	0.7
267.10086	4.4
276.07657	0.8
285.07706	0.9
287.05508	2.0
289.05215	1.0
293.07999	1.1
297.11444	1.4
299.09201	0.9
305.07990	0.8
307.09598	1.3
324.09949	1.0
325.10849	4.4
329.10175	1.6
337.10941	1.0
339.12350	1.7
353.09863	0.8
355.11890	1.3
357.13379	5.4
359.15024	1.0
367.11960	2.6
369.13245	1.0
371.15100	1.2
377.26581	1.4
381.13492	1.1
385.12753	9.3
386.13144	0.9
387.14294	3.9
399.14478	2.7
400.14972	0.8
417.15445	17.2
418.15729	1.8
431.14380	0.8
458.17078	0.8
557.32117	0.8
599.33710	2.5
642.45087	1.9
643.33118	9.4
643.43970	1.3
644.22253	0.9
644.32697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77223	0.6
56.50251	0.5
66.42539	0.5
67.10130	0.6
70.38582	1.0
70.38938	1.2
83.81052	0.5
88.21507	0.5
98.23851	0.5
104.10676	0.8
116.93826	0.5
149.05937	0.7
198.97263	0.7
251.24110	0.6
397.12982	2.0
398.13300	1.1
410.13528	3.4
411.14566	6.3
412.15366	3.7
413.15912	2.0
423.14526	1.6
424.15286	2.5
425.16293	11.2
426.16895	8.0
427.17484	2.1
428.18134	1.1
437.16519	1.2
438.12430	3.0
439.13431	12.6
440.13397	1.2
440.19263	4.7
441.19266	32.2
442.19537	5.5
451.17999	0.7
452.14325	4.6
453.15332	15.2
454.15756	5.4
457.14755	0.7
463.14014	1.0
467.17139	26.1
468.17844	14.6
469.18796	13.2
470.18921	1.9
472.17697	0.9
481.14813	13.8
482.15182	5.1
483.15753	0.8
485.18378	0.9
495.16531	2.7
496.17041	19.5
497.17532	3.7
498.18307	0.7
499.16397	0.6
509.18469	2.0
510.19180	0.8
512.20508	1.6
514.21875	1.9
523.19897	1.9
527.22687	2.1
540.20184	0.7
542.21924	1.5
555.22449	24.1
556.22925	4.6
568.19318	1.1
583.21893	100.0
584.22198	16.6
587.24762	1.6
611.21240	2.0
614.22839	0.6
615.24457	10.6
616.24915	1.6
643.23853	60.8
644.24036	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	643.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18780	0.4
50.43283	0.4
51.51348	0.4
57.61222	0.4
58.17902	0.4
67.05483	1.6
69.07077	1.3
69.07539	2.8
71.04958	0.5
79.05468	1.8
81.07050	2.5
85.06487	0.4
89.06026	1.0
91.05482	2.3
93.07034	1.6
95.04940	0.4
95.08593	2.0
97.10154	0.4
105.07030	1.3
107.08551	1.3
109.10126	0.9
109.25564	0.4
109.56681	0.4
111.60807	0.4
117.07004	0.7
119.08556	1.1
121.10136	1.3
131.08560	1.0
133.08589	0.9
133.10110	1.2
135.11685	0.8
145.10094	0.9
147.11668	0.6
149.09622	0.6
149.13307	0.4
178.66763	0.4
209.87498	0.4
246.63208	0.4
273.18472	1.0
275.19888	0.6
291.19629	0.7
335.11032	0.4
396.12192	0.9
397.13055	1.2
410.13736	2.4
411.14536	4.0
412.15237	2.6
413.16022	0.9
423.14896	1.1
424.11206	1.0
424.15610	1.2
425.11093	0.6
425.16214	9.0
426.16873	5.4
427.17361	1.3
428.17981	0.6
438.12372	2.0
439.13358	7.1
440.13818	1.3
440.19431	2.7
441.19321	22.7
442.19623	3.6
450.12949	0.5
452.14337	2.7
453.15222	9.4
454.15866	3.3
463.14279	0.7
465.15390	0.6
466.12280	0.6
467.17084	19.3
468.17776	11.3
469.18750	11.5
470.18866	1.3
481.14893	11.8
482.15405	5.2
483.15927	1.0
494.30573	0.5
495.17056	1.6
496.17181	13.5
497.17743	3.2
498.18909	1.0
499.16043	0.5
509.18365	1.5
510.19028	0.6
512.20404	0.9
514.22571	0.6
522.18097	0.5
523.19696	1.5
527.22845	1.7
537.19794	0.6
542.21729	1.1
545.23236	0.6
551.19189	0.6
555.22394	18.6
556.22595	3.7
568.19562	0.7
583.21893	100.0
584.22162	20.0
587.25189	1.3
593.26373	0.7
611.21155	1.0
615.24475	7.8
616.25079	1.9
625.28918	1.5
625.43781	0.6
643.23840	23.2
644.23676	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	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
56.50296	1.4
59.08867	1.5
65.03953	7.1
67.05502	3.3
69.14459	2.9
69.14867	10.0
77.03906	1.5
78.04719	2.9
79.05498	5.9
80.04988	1.7
81.03400	2.2
85.02910	5.3
91.05488	7.4
92.05003	1.9
93.03439	2.4
93.05815	1.9
93.07057	5.6
94.06574	7.1
95.04979	5.3
95.07371	3.5
96.08155	10.5
103.05471	16.0
105.03373	2.1
105.07049	6.5
106.06593	4.1
107.04981	5.6
108.04499	3.3
108.08111	12.7
109.06524	2.4
110.03641	2.2
110.09677	11.2
110.92110	1.5
111.04398	2.3
115.05473	6.9
116.04980	4.1
117.07049	4.4
118.04173	3.3
119.04956	1.7
120.04489	6.3
120.08100	11.7
121.06511	2.9
122.06069	6.0
123.04455	4.4
124.05225	2.7
124.07607	9.4
125.06052	3.4
130.04182	1.9
131.04921	15.3
132.04459	2.1
132.05728	1.7
133.02873	1.8
133.06522	3.4
134.06033	5.1
135.04509	2.1
136.07571	15.0
137.06004	6.1
138.09131	17.7
142.02640	1.9
144.04457	7.2
145.06487	7.9
146.05992	8.4
148.05206	7.8
148.07607	6.3
149.05989	2.8
150.05544	2.4
151.04013	2.5
152.04694	1.7
152.07100	3.0
153.05469	5.6
155.06078	2.0
159.08026	2.3
160.03973	4.7
161.06007	7.2
162.05522	3.9
163.07545	14.8
164.07098	2.3
165.05548	4.8
166.08630	18.4
167.07048	80.4
168.07483	2.3
171.06610	3.6
172.03934	26.9
172.05315	1.5
173.05994	14.3
175.07585	3.7
176.04851	2.9
176.07101	5.2
177.05399	2.1
181.04967	81.6
182.05367	3.0
182.09720	2.0
187.07524	2.2
190.04971	26.4
191.07042	67.5
192.07433	3.5
193.05008	3.6
193.08624	3.6
195.06453	2.7
197.08301	2.1
197.10806	4.5
198.09222	2.0
199.12369	3.1
201.05489	2.2
203.07016	2.3
204.06564	46.5
205.06866	2.3
205.08662	4.2
207.06544	4.1
208.07361	3.8
209.08099	2.8
209.10857	2.1
210.09148	3.0
211.08751	3.8
212.09476	3.3
213.10092	3.2
217.08670	6.7
219.10220	5.6
221.08101	2.6
223.08728	2.2
225.07622	9.5
225.10275	17.0
226.08203	2.5
226.10951	1.9
227.11809	22.4
233.08156	7.5
235.09627	4.9
236.09421	3.2
237.10231	5.2
238.10963	2.9
239.11815	5.3
241.09738	2.2
249.10269	3.4
251.11838	5.0
253.09804	4.6
263.09280	13.5
264.08810	5.7
267.11060	2.8
269.12875	27.0
270.13242	1.7
271.10764	12.5
273.12219	9.3
279.11234	6.2
283.10794	7.4
284.11636	5.5
285.12378	6.5
287.13940	24.7
295.10809	2.5
297.12384	11.3
299.14001	5.4
300.11429	2.4
302.13132	2.1
312.15179	1.8
313.12897	2.9
314.12943	4.5
316.14340	2.7
323.10202	8.8
325.11783	36.9
326.12247	3.1
326.16571	2.3
327.13428	6.6
328.10779	4.8
328.14505	3.8
329.11011	2.1
330.12311	2.8
330.15991	2.2
331.16599	1.9
342.12360	11.4
342.16003	2.8
343.12930	9.4
344.13708	2.7
355.13074	4.7
356.13895	8.5
357.14093	9.9
358.15414	6.7
365.11353	3.0
370.15485	5.6
371.15601	2.0
380.14047	2.9
381.12619	2.3
382.11896	7.1
383.12823	3.3
384.13428	4.6
385.12915	8.8
386.14496	2.4
386.18814	4.0
387.14474	5.5
388.16537	2.1
390.18094	3.7
394.15521	2.3
398.15002	26.3
399.15784	35.8
400.16248	4.3
402.17935	3.5
404.16092	6.2
412.16489	2.9
414.18164	3.7
416.16080	20.4
417.15479	24.2
418.15701	3.7
422.16077	2.0
428.15964	3.7
430.17630	2.6
440.16016	7.5
441.14447	3.6
446.17130	26.0
447.17307	3.4
448.18399	2.4
458.17151	71.6
459.17529	9.1
460.18735	2.8
476.19025	1.9
490.19699	10.6
520.20715	2.2
565.24084	4.8
567.25867	5.6
569.23828	13.0
583.25464	5.7
593.24054	14.3
594.23859	2.8
611.25006	100.0
612.25299	16.1
626.25006	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.05513	4.8
57.07074	1.6
60.00726	1.1
60.71655	1.1
67.05504	11.0
69.03437	5.0
69.07084	3.5
69.11012	3.0
69.11414	8.7
71.05008	3.3
73.18906	1.2
78.74990	1.3
79.05499	8.7
81.03409	2.7
81.07066	9.1
83.05006	1.8
83.08589	1.6
85.06529	1.6
91.05474	7.4
93.07046	8.6
95.04993	3.2
95.08620	9.3
105.07030	6.8
107.08616	4.6
109.06520	4.4
109.10165	5.6
111.08070	1.3
117.07037	3.7
119.08604	5.4
121.06516	2.1
121.10168	4.6
123.08089	1.3
128.06250	1.4
129.07042	2.5
130.05255	1.1
131.08594	3.5
132.08092	1.7
133.10162	4.4
133.22066	1.4
135.08093	3.0
135.11723	1.7
143.08595	2.2
145.10129	3.6
147.11693	2.3
151.11340	1.3
153.43983	1.3
157.10210	2.3
159.11736	1.4
161.09618	1.3
161.13368	1.4
164.10699	1.5
169.10052	2.0
171.11754	1.9
173.13269	1.8
183.11746	1.4
187.11200	1.7
219.13930	2.1
220.09886	1.7
221.10721	2.4
222.11652	1.3
223.12422	1.6
235.12257	2.9
236.13167	1.3
237.13924	1.6
248.13016	1.9
250.14703	1.3
269.19409	1.4
272.11771	1.5
273.18472	2.2
274.13577	1.8
275.14102	1.7
276.15146	2.2
288.14804	1.5
291.19513	3.9
302.13007	2.5
304.14468	3.9
312.15219	1.5
314.16800	2.7
316.14380	2.2
317.15369	1.5
318.16071	3.8
325.15765	1.4
328.18015	1.8
332.17474	1.8
335.25800	1.7
336.14835	1.5
337.15634	4.1
338.16235	2.1
340.18146	2.6
342.19788	1.6
350.15884	1.5
352.17740	2.4
353.17944	2.4
354.19656	1.4
365.17557	2.0
367.19199	4.7
376.17007	1.6
378.19397	2.2
379.15585	2.8
379.19913	1.9
381.21048	3.7
383.22623	2.4
391.19302	2.0
393.17105	2.8
394.17731	2.8
395.18723	5.5
396.19193	1.9
400.20276	1.9
407.18478	3.3
408.19452	3.7
409.20062	11.1
410.20810	3.7
412.20343	1.5
421.20328	3.4
422.20645	1.6
423.22159	10.0
424.22061	4.3
426.21338	1.8
435.22180	2.0
436.22797	4.1
437.18875	2.6
438.20660	1.9
439.21222	1.8
440.22708	1.6
443.22110	5.5
451.21338	3.1
453.22845	4.5
454.21118	3.7
461.23132	2.1
464.22543	1.8
464.60413	1.6
465.22940	3.4
466.21091	2.2
467.20685	2.2
469.25940	3.8
470.26776	2.3
479.24155	5.8
480.24713	4.2
481.22345	6.6
482.23041	3.3
483.23978	2.5
494.23709	4.8
495.23358	4.1
496.24570	12.4
497.25531	14.6
498.26099	1.7
503.24036	5.4
503.51996	1.3
507.24030	2.9
508.24512	2.2
509.22208	3.5
511.27637	9.1
512.27936	9.6
513.24780	1.9
514.23218	1.7
521.25232	2.2
523.23553	5.2
524.24072	5.4
527.26416	2.1
539.26691	34.2
540.26398	4.5
541.24756	3.1
551.22821	2.1
555.26117	2.4
556.26697	3.6
557.27222	5.2
567.26062	32.2
568.26111	3.2
571.25647	2.3
581.27551	3.6
582.26105	5.1
583.25812	13.5
584.25720	4.7
597.27203	1.8
599.28613	100.0
600.28937	14.4
601.26624	10.4
611.25183	24.5
612.25616	3.3
615.27722	1.8
625.26508	5.1
625.44183	2.2
643.26947	15.5
643.38922	2.9
644.27753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65572	0.7
53.03946	2.5
55.01868	2.9
55.05513	4.1
57.03437	4.1
61.02926	3.7
65.03944	1.0
67.05496	5.3
69.03431	14.8
69.07071	43.5
70.06593	2.8
70.07874	1.8
71.04994	2.9
72.08160	1.0
73.02892	1.3
73.06559	6.6
79.05490	9.3
80.02245	0.6
81.03430	8.7
81.06577	1.2
81.07059	26.2
82.07436	0.7
83.04983	1.2
83.08606	0.7
85.02908	35.4
85.06541	2.1
86.09715	2.9
87.04470	2.2
91.03961	1.5
91.05482	12.5
93.07049	12.3
95.04958	4.3
95.08612	6.0
97.02900	12.0
97.06535	12.1
99.04456	2.0
103.05486	0.8
105.07031	20.5
106.07377	1.3
107.04947	3.6
107.08602	6.8
109.02886	4.1
109.06522	34.1
109.10175	4.0
111.04465	0.8
111.08119	1.2
113.06025	2.0
115.05451	1.7
115.07567	18.1
117.07027	6.6
119.04940	1.4
119.08581	12.0
121.06546	3.7
121.10150	5.7
123.08087	1.9
123.11713	1.0
125.05967	1.8
125.09628	2.1
127.03923	6.2
127.11237	1.3
128.06206	1.4
129.06987	4.0
130.07808	1.9
131.08568	11.5
132.08957	0.8
133.06512	1.1
133.10133	11.8
135.08022	2.0
135.11711	2.4
137.05984	14.3
137.07028	0.9
141.07019	2.2
142.07840	1.1
143.08568	12.6
145.04959	5.1
145.06525	1.7
145.10120	43.8
146.10547	1.6
147.08044	2.8
147.11688	61.8
148.12047	2.4
149.09628	2.4
151.07532	1.0
151.11130	0.8
153.01826	0.9
153.07082	0.7
154.07843	0.8
155.08595	6.0
157.06543	0.8
157.10126	8.6
159.08067	2.9
159.11700	9.6
160.12549	0.6
161.05992	0.8
161.09616	4.6
161.13277	1.8
163.07513	1.3
163.11194	6.4
165.07030	1.8
167.07060	7.7
167.08554	2.8
167.10678	10.7
168.09312	1.0
169.10126	7.5
169.12305	0.8
170.10861	0.9
171.06723	0.9
171.08083	3.0
171.11707	5.9
173.06061	0.9
173.09628	11.2
173.13245	3.1
175.07503	0.9
175.11189	9.0
175.14793	1.3
176.11476	0.9
177.09169	1.0
177.12740	1.3
179.08646	2.1
180.09328	0.8
181.04903	4.0
181.10109	7.6
181.11659	0.7
181.12254	0.6
182.10854	1.6
183.11691	7.4
185.09695	2.5
185.13243	4.0
187.11223	2.0
187.14833	1.7
189.09132	1.6
189.12782	1.3
191.06960	1.2
191.10681	2.5
192.09317	1.4
193.10182	1.9
193.12228	1.3
194.10970	1.2
195.11693	8.2
196.12471	1.7
197.13252	6.4
199.11206	1.3
199.14812	6.1
201.12708	1.2
201.16263	0.7
203.10768	0.8
205.10176	2.0
207.11661	3.7
208.12508	1.9
209.09732	0.9
209.13255	4.5
210.13950	0.8
211.11354	1.5
211.14793	5.7
212.15396	0.9
213.12796	2.1
213.16423	2.4
215.14250	1.9
217.10176	2.3
218.10921	1.7
219.11723	2.1
221.13275	3.8
222.14067	1.9
223.11220	1.3
223.14787	7.2
224.15662	0.8
225.12683	2.0
225.16368	0.9
227.10683	0.7
227.14348	2.4
227.17950	0.9
229.15984	1.2
232.12479	2.2
235.14854	2.1
236.15584	1.7
237.12769	1.1
237.16373	17.3
238.16838	1.3
239.14359	6.0
239.17992	1.9
240.14960	1.0
241.15892	2.8
247.14850	7.2
253.15823	0.8
255.17400	7.1
257.19077	1.2
265.15875	26.9
266.16345	2.0
267.17792	1.0
267.21097	2.1
273.18622	1.6
274.34546	0.8
277.19440	0.9
283.16922	58.1
284.17227	4.4
285.18600	1.7
285.21960	1.0
295.20465	3.8
297.03925	1.3
301.17987	64.0
302.18332	4.9
303.19553	2.5
313.21619	7.6
319.19043	24.3
320.19373	1.3
331.22531	3.9
337.20117	3.9
338.73560	0.8
381.27902	1.1
385.12799	1.5
391.26425	2.2
399.28989	2.6
409.27353	5.5
417.15494	1.6
427.28439	20.1
428.28748	2.0
435.11105	1.1
445.29504	44.3
446.29684	5.2
461.29388	0.8
463.30521	13.6
464.30688	1.6
481.12125	3.5
481.31613	100.0
482.32010	11.2
599.27185	2.3
600.26324	0.8
607.34650	2.4
643.25903	6.0
643.36896	6.0
644.37286	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03952	3.3
55.01863	2.6
55.05512	4.1
57.03436	3.7
59.05011	0.7
61.02926	5.6
62.14024	0.5
63.02379	0.5
65.17355	0.5
67.05498	4.0
67.76328	0.5
69.03434	19.2
69.07071	55.1
70.06592	1.5
70.07404	1.5
71.01358	0.7
71.05009	2.7
71.31682	0.9
73.02908	2.7
73.06558	10.3
79.05492	6.7
81.03423	8.8
81.07059	8.7
83.01360	0.9
83.04975	1.6
83.08598	0.9
85.02907	44.4
85.06528	0.8
86.03222	0.7
86.09705	1.4
87.04468	2.4
91.03944	1.7
91.05487	7.1
93.07035	9.3
95.04974	4.3
95.08606	6.5
96.76122	0.5
97.02895	15.9
97.06537	13.5
99.04443	3.8
99.08087	0.7
99.22511	0.5
103.05504	1.0
105.06503	0.4
105.07032	13.7
107.04951	2.2
107.08599	7.1
109.02895	5.0
109.06525	23.4
109.10157	3.2
110.06848	0.8
111.04529	0.7
111.08051	0.6
115.05481	1.6
115.07572	23.2
117.07010	5.7
118.97561	0.6
119.08584	7.9
121.06519	4.3
121.10160	7.8
123.04406	0.8
123.08070	1.4
123.11704	1.8
125.09614	2.7
127.03928	9.6
127.11189	1.0
128.06236	2.5
129.07045	4.9
130.07802	0.7
131.08586	6.8
133.06517	1.2
133.10130	5.9
134.10495	0.7
135.08061	7.9
135.11681	4.0
137.05974	8.9
137.09570	0.6
141.07037	1.7
142.07758	2.5
143.08569	11.4
145.04974	6.6
145.06360	1.1
145.10124	21.1
146.10435	0.5
146.93332	0.5
147.08067	2.1
147.11685	30.7
148.12007	1.1
149.05978	1.1
149.09583	1.3
149.13240	2.5
151.03931	1.0
151.07549	2.2
151.11107	0.6
153.07042	0.8
155.07172	0.9
155.08545	3.4
157.06525	0.8
157.10138	12.4
158.10562	0.7
159.08090	1.5
159.11707	13.9
161.05998	1.5
161.09621	6.2
161.13281	2.3
163.07594	0.8
163.11218	1.0
163.14880	0.5
165.07014	1.1
165.09128	0.8
167.07051	9.1
167.08524	2.1
167.10683	16.1
168.09407	0.7
169.10136	4.6
171.08067	2.1
171.11681	5.8
172.12378	0.9
173.05971	1.3
173.09625	1.8
173.13264	4.7
174.06618	0.6
175.07591	1.4
175.11224	2.0
177.09134	0.9
179.08571	1.8
180.09392	0.7
181.04984	1.0
181.08582	1.3
181.10136	5.2
181.12326	1.0
182.10887	1.0
183.11691	3.9
185.09734	1.1
185.13260	4.4
186.10432	0.6
187.07562	1.3
187.11195	1.2
187.14825	1.2
189.09138	1.8
191.07135	0.8
191.08705	0.6
192.09398	0.9
193.08540	0.7
193.10155	2.1
194.10973	1.0
195.08073	0.6
195.11688	6.9
196.12399	1.1
197.13242	3.5
198.13998	0.8
199.11211	1.2
199.14830	3.9
201.12794	0.6
201.16377	1.7
205.10126	3.1
207.11746	2.3
208.12462	1.1
209.09698	1.4
209.11679	0.6
209.13336	3.9
210.18631	0.6
211.09593	1.1
211.11334	0.7
211.14888	2.3
213.12860	0.8
213.16354	4.6
215.14485	0.7
215.18015	0.7
217.10252	1.2
217.12163	0.7
218.11024	0.6
219.11795	1.1
221.09764	0.7
221.13327	2.8
222.14020	2.2
223.11322	2.7
223.14861	3.6
224.15457	1.1
225.12755	1.0
225.16470	0.7
227.14334	1.5
227.18004	1.4
228.15070	1.5
232.12462	2.0
235.14870	1.6
236.15610	1.2
237.12712	2.1
237.16367	23.0
238.16806	1.5
239.14413	0.8
239.17914	0.8
241.15826	3.5
241.19688	0.7
242.16624	1.4
243.21007	0.9
247.14818	6.6
250.13518	1.3
255.17461	5.9
265.15869	34.6
266.16284	2.9
267.21191	1.1
271.20584	0.6
283.16928	30.4
284.17303	2.2
285.18396	0.6
285.22101	0.8
295.20612	1.8
301.17993	25.8
302.18439	2.0
303.19638	1.6
313.21585	2.9
319.19037	54.0
320.19400	4.3
321.20490	0.7
327.11771	0.6
331.22693	6.9
332.23169	0.7
337.20047	4.3
341.13666	0.7
349.23798	1.9
351.44849	0.6
360.15488	0.9
361.16479	2.8
409.27509	1.0
427.28452	2.0
435.19977	2.7
445.29565	4.8
461.29520	0.6
463.30426	2.1
463.96112	0.5
479.30048	0.7
481.31610	100.0
482.31876	10.9
599.26556	0.7
607.34644	2.1
643.23975	1.1
643.25922	0.8
643.37042	7.8
644.36902	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.01870	9.7
55.05495	5.0
55.08583	4.3
57.03448	6.7
67.05501	10.2
68.99783	4.8
69.03442	28.5
70.06596	8.5
71.04979	4.7
71.31306	6.4
72.08152	4.6
73.02900	6.6
79.05500	10.3
81.03428	30.6
81.07050	12.9
83.04977	7.4
85.02908	63.9
85.06554	4.9
86.09705	8.0
87.00826	25.3
91.05488	20.5
93.07039	9.1
95.04978	16.5
95.08629	4.7
97.02903	26.5
97.06538	5.2
99.04462	8.1
103.03949	6.8
103.05461	24.6
105.01882	16.1
105.07034	30.8
107.04950	22.0
107.08592	5.6
109.02866	17.2
109.06520	3.7
115.03899	4.8
115.05373	3.9
117.03390	12.9
119.04961	11.1
119.08550	7.5
121.06513	10.5
121.10147	4.3
123.11726	4.7
127.03916	26.4
129.01883	5.5
129.06934	3.8
131.04933	32.8
131.08620	4.9
133.02806	4.5
133.06494	17.4
133.10107	3.9
135.08054	9.5
137.05978	100.0
138.06306	5.6
141.07007	6.2
145.02863	36.0
145.04903	7.4
145.06487	6.2
145.10085	3.8
147.04402	12.1
149.05988	27.5
149.09572	3.8
151.03847	4.8
151.07538	23.5
159.02963	9.8
159.04413	7.1
160.05215	4.6
161.05978	56.4
161.09566	19.3
162.06767	4.0
163.07536	49.4
165.05533	6.6
165.09109	16.8
167.07047	10.8
167.08392	3.9
169.06598	5.2
171.02985	5.0
175.07524	20.9
176.04774	6.3
177.05484	45.2
177.09064	5.5
178.05862	5.5
179.07047	11.6
181.05008	8.2
181.08624	11.9
187.07552	9.0
188.04936	4.5
189.03966	8.7
189.09103	25.2
191.07037	62.1
192.07675	6.2
193.12344	3.9
197.06001	8.2
201.05487	5.4
201.09099	7.4
203.07024	38.3
207.10176	70.5
207.11961	5.5
208.10437	6.5
209.07968	21.3
215.06902	7.5
219.10115	6.1
221.08099	6.2
227.07076	3.9
227.56429	4.0
229.08578	11.4
233.08101	14.1
249.11305	6.4
253.14429	4.9
257.08078	14.0
269.07901	5.1
273.11197	8.1
275.09204	11.1
287.12717	7.2
291.12292	11.0
293.10278	4.8
297.11334	8.7
313.14319	7.1
331.15421	42.2
332.15649	4.9
343.15469	8.5
355.11569	6.6
379.10208	10.7
406.84283	3.9
501.97223	4.0
644.25220	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
55.01874	29.7
55.05518	16.2
57.03442	6.7
61.02926	6.4
67.05502	20.9
69.03432	10.1
69.07059	22.8
71.04995	14.5
71.30746	4.8
73.02929	9.6
75.04472	4.5
79.05496	29.4
81.03440	6.0
81.07049	75.0
82.07372	3.5
83.01357	5.9
83.04977	49.5
83.08640	9.0
85.02907	9.9
85.06560	13.9
85.58430	3.4
87.04481	6.7
88.13577	3.9
91.05483	25.5
93.06133	4.3
93.07043	88.0
93.24091	3.1
95.04964	26.1
95.08602	42.8
95.11638	3.7
97.06522	40.7
99.04461	25.9
101.02383	17.3
101.06028	7.4
105.07032	67.6
107.04916	5.1
107.08587	47.7
107.09264	3.8
109.06534	33.9
109.10167	15.6
111.00826	15.8
111.08077	71.0
113.06007	4.1
115.03916	4.9
115.07597	4.6
117.07030	5.2
119.03458	5.2
119.04911	3.8
119.08604	35.6
121.06512	60.8
121.10175	13.9
123.04435	6.5
123.08079	13.1
123.11729	29.0
125.02361	6.2
125.05991	17.9
127.03924	4.8
127.07542	10.8
129.01863	11.9
129.05490	8.8
129.06953	5.5
131.08566	12.2
133.04987	4.1
133.06483	5.2
133.10130	45.6
135.04436	7.3
135.08055	22.1
137.05978	7.4
139.07561	30.5
141.05478	5.2
142.07768	6.8
143.03415	11.1
143.07077	9.5
143.08586	5.9
145.10156	16.5
147.02917	10.0
147.08095	6.0
147.11687	91.8
149.13239	6.6
151.07545	4.2
151.11168	23.3
156.09303	4.4
157.08783	7.1
157.10165	28.9
159.06599	7.6
161.04457	86.7
161.05843	6.5
161.13306	11.8
163.11201	6.1
165.12762	51.5
167.07033	8.8
169.12242	62.6
171.02921	20.2
171.11691	18.0
173.09644	5.6
175.11205	79.8
181.05011	5.5
181.10109	5.9
185.04576	4.6
189.03928	5.4
189.12723	39.7
193.12234	100.0
194.12563	4.9
199.11212	25.4
203.05487	5.1
207.13898	8.2
209.15376	4.2
211.13298	82.1
212.13704	8.1
215.10823	4.0
217.12250	76.2
218.12585	3.5
229.14415	14.7
231.04951	44.2
235.13287	65.1
243.08743	10.7
245.06535	14.1
253.14371	67.2
257.10208	9.2
259.08035	4.9
263.07660	5.4
271.15442	7.1
287.05661	4.7
311.14905	18.2
326.62122	3.9
329.15939	58.2
330.16190	5.4
335.14975	10.1
339.23715	4.6
353.15958	99.0
354.16245	7.2
371.16983	47.4
389.18130	5.7
394.09869	3.9
399.16489	35.9
413.17981	6.9
417.17404	12.2
423.16501	12.3
425.50781	3.9
441.17343	13.1
455.19016	3.7
541.18951	14.2
555.20325	4.3
559.20032	16.7
573.22290	4.6
644.24353	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	644.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
57.07076	30.4
67.05500	1.1
69.07083	4.1
71.08632	26.5
71.32072	1.2
73.06555	7.2
83.08644	1.3
85.10189	15.7
86.19227	0.9
87.04473	7.2
89.06033	100.0
90.06380	1.3
91.07613	1.0
95.08559	1.1
97.10162	2.9
99.11735	2.8
107.07052	2.6
111.11728	2.6
113.13286	2.8
117.09116	7.1
127.14864	0.9
130.08658	1.5
131.06996	2.6
133.08603	60.1
134.08942	1.8
135.10226	1.2
150.39351	0.9
161.11707	1.3
169.19514	3.8
175.09631	1.7
177.04018	0.9
177.11221	22.4
213.22116	3.3
219.12167	0.9
221.13774	4.1
222.30594	0.8
257.24692	7.4
283.17371	1.4
301.27328	3.6
309.18967	0.9
327.20096	1.1
341.33844	0.9
363.91998	1.0
415.25232	1.0
451.36310	0.9
459.27942	2.2
627.46564	2.6
644.48865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44688	12.7
55.05504	18.1
61.20630	12.9
67.05502	32.3
69.29938	26.6
69.30327	55.8
81.07063	46.2
89.06041	38.2
91.05501	29.5
93.07056	35.0
95.08603	18.9
95.81521	14.9
98.85052	14.4
105.07067	15.4
107.08566	24.1
109.10151	24.3
113.36622	14.5
119.77906	14.1
133.08591	26.6
179.14226	17.9
192.22229	14.2
277.22009	17.0
295.39581	14.7
306.48294	14.8
345.62503	16.1
357.12735	15.6
426.19220	17.1
645.24695	100.0
645.44672	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55494	0.8
56.61881	0.8
57.11722	0.8
57.46729	0.7
61.20427	0.8
67.05511	3.9
68.63279	0.8
74.85081	0.8
75.75695	0.8
76.91924	0.7
79.05494	3.1
80.05006	0.8
81.03434	0.8
81.05810	1.0
81.07067	1.3
82.06577	1.9
85.02920	1.9
91.05489	4.0
93.07027	6.8
93.78718	0.7
94.06582	11.5
95.05003	1.0
95.07355	6.8
95.08599	1.5
96.08138	14.2
97.06533	1.0
103.05483	1.1
105.07036	1.2
108.04482	2.8
108.08119	11.9
110.09679	21.0
120.08106	14.9
120.41943	0.8
121.10159	0.9
122.06043	10.0
124.07593	1.0
132.04475	1.8
134.06041	1.7
136.07578	7.4
138.09148	25.7
142.41301	0.9
148.07558	4.7
150.09122	2.4
152.07103	3.7
160.03934	9.2
162.05412	1.0
164.07091	3.3
166.08641	33.7
167.07146	1.1
167.09030	1.0
172.03961	1.3
174.05423	1.1
178.05022	2.7
181.05009	1.7
183.09134	0.8
191.07201	1.7
199.08711	3.5
204.78143	0.8
210.11429	2.0
211.08658	4.4
211.12277	3.0
212.09378	1.4
212.12978	1.2
213.10269	2.7
213.13812	0.9
220.09895	0.9
222.11488	1.7
223.08635	6.0
223.12332	2.0
224.09282	1.9
224.13066	1.0
225.10226	16.4
225.13771	1.1
226.10980	7.3
227.11766	4.8
235.08617	2.1
235.12306	2.2
236.09537	2.8
237.10246	7.7
237.13889	3.6
238.10893	4.1
239.08191	8.5
239.11780	16.0
240.12492	5.8
241.13373	1.4
247.12296	2.1
248.09378	0.9
248.10834	0.8
249.10193	6.6
250.10991	7.3
251.08112	6.0
251.11798	19.7
252.08936	1.7
252.12453	5.1
253.09653	6.5
253.13333	12.0
254.10512	11.9
255.10977	1.6
255.14891	0.9
262.11008	1.6
263.11804	12.5
264.09018	1.6
264.12549	7.7
265.09802	5.6
265.13379	20.3
266.10550	5.0
266.14017	2.6
267.11353	6.8
267.14929	2.7
268.12018	1.4
269.12790	1.7
271.10825	2.9
277.09741	2.6
277.13037	0.9
278.10516	2.0
279.11322	5.7
280.11865	1.0
281.12875	14.1
282.10065	1.3
282.13513	3.3
283.10797	5.9
283.14435	4.5
284.11423	2.2
285.12360	11.9
286.12955	2.1
291.11264	3.3
292.12030	1.0
293.09567	1.1
293.12845	5.5
294.10410	1.3
294.13519	2.1
295.10803	3.3
295.14142	1.4
296.11533	4.5
297.12366	7.6
298.13065	1.6
299.13882	14.6
300.14563	0.9
307.10718	1.4
309.12326	62.4
310.12784	4.7
311.13910	20.2
312.14264	1.9
319.11078	1.8
321.12265	4.7
324.11002	1.6
325.11765	3.2
326.12732	1.2
327.13391	100.0
328.13718	6.6
337.11807	9.9
338.12512	5.1
339.13388	8.5
341.14941	6.8
357.14349	3.2
358.15115	2.3
359.16046	16.0
360.16315	1.5
369.14450	33.9
370.14899	5.3
371.16013	30.6
372.16470	2.5
404.19534	2.5
414.18359	1.6
416.19531	5.2
430.17642	6.1
432.19095	14.6
433.19525	1.5
442.17703	1.5
446.20956	1.2
448.18628	26.7
449.19009	3.3
460.18674	41.2
461.18991	4.7
462.20084	1.2
474.20242	3.5
480.21295	34.2
481.21591	3.8
490.19446	1.0
492.21332	62.8
493.21695	6.2
506.23035	1.5
523.23358	1.5
524.23810	1.1
595.24835	1.7
613.26599	5.2
627.28497	1.4
645.29211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87614	6.4
69.10779	13.5
69.11184	41.5
79.05494	10.9
81.07071	7.7
91.05447	8.3
93.07071	12.9
94.06588	12.4
95.07353	8.6
96.08143	27.5
108.08115	27.7
110.09688	32.4
120.08116	19.1
122.06002	18.0
124.07600	11.9
133.06454	8.2
136.07568	41.2
137.05959	10.1
138.09161	51.2
146.06035	14.8
148.07547	27.3
150.09192	12.9
152.07002	35.9
161.06010	8.8
166.08620	67.8
167.07060	26.1
168.07379	7.4
172.03964	22.2
181.05064	16.0
190.04919	20.3
197.10777	9.0
204.06546	27.3
209.08214	7.3
210.11522	16.9
211.12416	17.6
223.12373	15.8
225.10252	17.5
226.10974	16.0
227.11771	11.3
237.10284	27.4
238.10928	21.7
239.11792	23.9
249.10278	10.9
250.10765	14.0
251.11722	29.2
253.10001	7.7
253.13223	10.3
256.12030	10.1
263.11823	27.3
264.08911	7.9
264.12268	13.8
265.09851	9.5
265.13254	13.4
266.10446	11.6
267.11270	30.6
269.12756	9.0
271.14386	19.6
273.12430	9.6
278.10327	15.6
279.11258	58.6
280.12018	16.8
281.12903	24.4
283.10626	16.6
284.11569	12.6
285.12341	71.0
291.11288	20.7
293.12692	17.6
297.12354	92.4
299.13776	11.5
309.12335	41.5
310.12976	9.4
311.10147	11.2
319.10669	11.2
321.12405	46.5
323.10178	25.7
325.11786	40.9
327.13342	33.0
337.11761	90.4
338.12051	8.9
339.13452	11.4
357.14365	9.7
371.16095	11.0
404.19794	10.7
418.16986	12.6
430.17502	23.7
432.19214	11.5
433.20865	9.8
446.20718	11.7
448.18576	62.7
449.19370	61.6
450.20065	53.2
460.18439	56.4
474.20630	9.5
476.18130	17.7
477.19009	17.1
478.19528	23.6
480.21649	9.9
490.19742	100.0
491.20175	22.7
492.21481	52.4
493.21552	11.4
522.22083	40.0
523.22766	32.6
571.25696	10.1
595.25195	22.2
613.26514	93.0
667.53094	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03585	4.6
65.03909	5.0
66.07250	4.8
67.05504	6.3
69.75060	18.0
74.38401	4.2
80.05018	5.7
91.05500	8.5
93.07030	8.9
94.06592	16.6
95.07372	7.2
96.08148	20.2
103.05491	7.4
108.08147	30.1
110.09695	32.3
120.04402	5.7
120.08093	24.1
122.06042	12.2
124.07606	16.9
127.05444	4.5
133.75078	4.2
136.07584	59.1
137.06003	5.4
138.09143	52.9
144.04520	5.4
146.06030	12.5
148.07591	24.2
150.09148	16.8
152.07054	37.2
154.99426	4.9
162.05611	5.8
164.07178	15.3
166.08644	72.1
167.07045	27.5
168.07381	6.0
171.31125	4.9
172.03929	36.4
176.07092	9.9
177.05316	5.3
181.04979	13.5
190.04939	22.9
191.07076	9.0
197.10652	6.5
198.11488	9.2
199.12383	5.9
203.49132	5.7
204.06563	68.5
209.08087	6.6
209.10887	7.4
210.11581	14.5
211.12277	17.2
212.13182	5.2
221.51790	5.0
223.12360	11.6
225.10268	18.1
226.11003	15.0
227.11708	6.5
235.12395	9.1
236.09528	7.4
237.10211	30.1
238.11073	23.1
239.11855	19.6
241.09836	5.5
241.13573	4.9
248.09457	5.6
249.10234	13.5
250.11032	13.4
250.13455	4.9
251.11819	34.9
252.12700	10.2
253.09729	5.0
253.13368	9.9
255.11372	7.0
256.12088	6.4
257.12894	4.8
262.10995	7.9
263.11816	24.2
264.09131	6.7
264.12463	11.0
265.09808	16.1
265.13446	17.3
266.10513	19.7
267.11288	51.8
268.12009	8.4
269.12900	13.6
271.14444	18.0
273.12292	7.8
277.09814	4.7
277.13177	4.7
278.10812	5.1
279.11282	65.7
280.11954	13.9
281.12744	21.9
283.10782	15.1
284.11487	23.2
285.12302	79.4
291.11414	21.7
292.12054	7.2
293.09244	6.3
293.12820	24.3
295.10693	7.5
296.11652	17.0
297.12311	100.0
298.12836	6.8
299.14011	13.4
307.10727	6.4
309.12296	37.8
310.13138	9.1
311.10220	10.4
311.13687	6.3
313.11771	8.7
316.14301	5.2
319.10754	13.7
321.12314	30.1
323.10272	29.0
323.13669	6.3
325.11722	39.1
327.13419	19.4
337.11871	92.6
338.12360	6.0
339.13419	15.4
357.14468	17.1
359.15994	8.3
369.14337	6.9
371.16214	5.8
373.13971	7.0
376.20221	4.9
390.18283	6.2
392.19550	11.1
404.19617	10.3
416.20068	6.0
422.20331	6.6
430.17606	19.9
432.19000	13.6
446.20886	13.0
448.18726	49.2
449.19501	56.6
450.20227	57.7
460.18723	44.8
461.18951	6.0
462.20151	9.7
474.20273	13.7
476.18326	21.2
477.19095	21.6
478.19751	16.1
490.19711	87.8
491.20755	27.8
492.21112	28.9
493.22018	8.2
522.22449	47.3
523.22876	21.6
595.25214	22.1
613.26672	92.0
614.26935	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	646.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.7
51.02382	1.3
53.00306	2.7
53.03947	9.7
53.42176	1.3
55.01872	13.5
55.05509	7.0
57.03429	9.8
61.02923	8.0
63.52278	1.2
65.03942	20.8
67.05505	13.1
67.61240	1.3
68.99785	3.7
69.03431	65.1
69.07064	3.8
70.03767	1.6
70.68130	3.1
71.01341	1.2
71.04993	49.4
73.02917	5.8
74.75631	1.1
77.03915	1.5
78.38483	1.1
79.05495	26.5
81.03413	28.4
81.07060	9.9
82.07378	1.5
83.01326	3.1
83.04974	5.6
83.08607	1.4
84.04503	1.7
85.02904	90.6
85.06551	2.0
86.03252	1.5
87.00829	44.7
91.03963	1.2
91.05478	50.2
93.03404	100.0
93.07048	15.0
94.03699	1.5
94.06583	2.2
95.04961	11.6
95.08598	7.0
96.08116	4.2
97.02892	48.8
97.06537	6.3
99.04449	16.9
103.03922	2.1
103.05468	4.1
105.01868	59.6
105.04498	2.5
105.07031	21.4
107.04971	7.1
107.08573	8.6
108.08089	3.4
109.02203	2.2
109.02885	27.4
109.06510	5.1
109.10173	1.9
110.09670	4.5
111.04435	2.5
111.08072	4.5
115.03984	1.8
115.05444	19.4
116.06260	6.1
117.01889	1.7
117.07037	21.8
119.04926	3.0
119.08572	10.2
120.08101	2.2
120.34836	1.3
121.06510	13.3
121.10173	1.3
122.06003	3.5
123.08072	4.2
123.11718	1.7
125.06007	1.8
127.03914	71.1
128.04242	3.8
128.06213	20.1
129.01794	3.2
129.07011	25.7
130.04996	5.2
130.07748	3.6
131.04939	8.2
131.08568	31.0
132.08945	1.7
133.06497	2.6
133.10117	5.1
134.43135	1.2
135.08032	12.3
137.05960	1.6
137.09612	2.6
138.09143	4.2
141.06989	19.7
142.07808	11.7
143.08568	11.4
144.05670	5.5
145.04964	37.5
145.06454	11.1
145.10133	10.3
147.03008	1.6
147.04352	1.9
147.08061	5.4
147.11699	4.0
152.06212	1.7
153.06990	18.5
154.07739	6.3
155.06044	3.3
155.08545	21.0
156.09225	2.7
157.06474	4.2
157.10117	9.5
158.07294	2.8
159.02875	7.4
159.08069	23.0
159.11688	1.8
160.03992	1.4
161.09695	1.9
163.07501	1.5
165.07024	4.9
165.12769	1.6
166.08723	6.5
167.07120	1.3
167.08597	7.0
168.09303	7.0
169.06476	2.9
169.10138	4.1
171.02892	2.4
171.08057	4.8
171.11682	4.4
172.08826	1.8
173.06003	1.2
173.09637	10.5
173.13284	3.4
175.11177	2.2
179.08510	2.7
181.10094	2.9
183.08052	4.4
183.11685	4.7
185.09645	3.6
187.07544	2.7
189.03920	2.3
189.09152	1.7
189.12695	1.6
191.08543	1.7
191.14357	2.1
193.12373	2.0
195.11629	1.7
197.09576	2.3
199.11159	5.4
201.09102	2.6
201.12749	39.3
202.13068	2.2
209.01021	1.3
211.11311	1.4
211.13300	2.3
212.16412	2.6
213.03940	6.0
213.09261	1.3
213.12796	3.5
217.12207	5.1
219.13672	2.0
226.10802	2.5
226.13814	1.3
231.04996	29.6
235.13258	6.4
237.10130	1.6
238.10744	2.0
239.11761	2.4
240.12326	2.3
241.12372	2.0
243.13843	3.7
249.06076	18.1
250.10703	1.8
251.11397	1.9
252.12125	2.3
253.14471	6.9
254.10699	1.5
255.11139	2.2
255.13757	4.7
263.11761	3.1
264.12253	3.5
265.09518	1.6
265.13327	2.8
266.13586	1.7
267.11221	1.7
267.14053	1.6
268.11780	1.6
281.12781	1.7
282.13208	1.8
287.05429	1.6
297.12170	1.6
299.13904	1.7
300.14337	1.6
309.12036	8.2
309.15308	2.1
310.12601	9.2
311.13660	3.3
312.14178	4.6
327.13232	12.2
328.13635	13.4
331.13046	1.7
338.12326	2.1
339.13434	2.0
340.13831	2.1
343.60516	1.6
359.15900	1.4
360.16574	1.6
369.14087	3.1
370.14728	5.4
371.16269	2.0
372.16254	5.1
389.20755	1.4
395.14807	1.6
431.17462	2.4
433.19464	2.8
448.18683	3.4
449.18903	6.6
452.18204	2.5
460.18564	3.7
461.18954	8.1
480.20764	2.1
481.21884	7.6
492.21198	4.1
493.21744	11.5
646.36816	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.4
55.01871	9.3
55.05488	1.8
55.47099	1.3
57.03429	6.1
58.15497	1.2
61.02921	5.8
65.03941	8.5
67.05500	3.9
68.99786	2.8
69.03431	50.4
69.20296	4.5
69.20705	5.5
71.01335	2.6
71.04995	23.2
73.02919	5.0
79.05503	7.6
81.03424	26.2
81.07054	3.5
83.01326	1.7
83.04974	2.2
85.02908	100.0
87.00832	49.5
91.03998	2.1
91.05478	16.3
93.03410	44.3
93.07032	4.1
95.04964	5.5
97.02896	44.2
97.06558	1.7
99.04464	16.4
103.05460	1.8
105.01868	90.6
105.07037	6.3
107.04958	2.7
107.08598	3.2
109.02879	29.9
111.04453	1.5
115.03912	1.6
115.05452	6.2
117.07050	7.4
119.08555	1.9
121.06487	3.3
127.03919	91.6
128.06219	5.3
129.01862	3.3
129.06999	9.3
131.04910	4.5
131.08586	9.2
135.08051	3.8
141.07007	6.4
142.07767	5.1
143.08545	2.6
145.04951	48.1
145.06557	2.1
145.10143	4.4
153.06976	6.5
154.07780	1.7
155.08566	6.5
157.06519	2.1
157.10146	3.5
158.69324	1.4
159.02893	7.5
159.08061	5.1
169.10097	1.5
171.02771	1.9
171.08095	2.3
173.09563	3.4
181.05067	1.7
183.11710	1.9
189.03954	3.8
191.14502	1.4
197.09520	1.8
201.12749	13.3
213.03961	7.7
223.36215	1.4
231.05000	44.4
243.13728	1.7
249.06064	33.8
253.07172	2.8
271.08008	2.2
352.59335	1.8
408.81833	1.4
414.33209	1.6
444.29385	1.7
500.41165	2.1
525.66180	1.6
550.86737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.4
53.03960	6.2
54.91203	1.1
55.01880	6.7
55.05526	1.3
57.03440	5.2
58.63855	1.1
61.02936	6.6
65.03934	5.5
67.05508	2.0
68.99789	4.5
69.03431	38.6
69.17323	1.1
69.71815	5.1
71.04993	18.2
73.02917	5.8
79.05500	6.0
81.03421	23.1
81.07054	2.2
85.02906	100.0
86.03255	1.7
87.00298	2.5
87.00832	46.8
91.03951	1.4
91.05489	11.6
93.03411	26.8
93.07073	3.0
95.04978	2.7
97.02892	38.5
99.04453	12.4
103.03940	1.4
103.05466	1.6
105.01867	77.8
105.07050	5.7
107.08610	2.6
109.02884	30.8
109.06544	1.9
113.29301	1.1
115.05474	4.8
116.06267	2.1
117.07046	5.0
119.08620	1.0
121.06544	2.3
127.03918	66.9
128.04272	2.2
128.06253	5.4
129.01884	3.2
129.06989	6.6
130.07788	1.6
131.04941	1.7
131.08572	8.5
135.08066	2.6
141.06993	4.1
142.07809	3.5
143.08577	3.0
145.04971	31.5
145.06462	3.5
145.10107	1.4
147.02884	2.1
153.07007	3.9
154.07793	1.7
155.08580	4.8
157.06514	2.0
157.10089	2.1
158.07278	1.2
159.02890	7.9
159.08051	2.6
165.07037	1.7
167.08582	2.4
168.09338	2.3
168.91962	1.0
169.10124	1.5
171.08110	2.3
173.09668	1.1
179.08482	1.3
183.08099	1.2
187.07529	1.4
189.03944	2.7
199.11115	1.4
201.12762	5.8
211.11354	1.2
213.03969	5.5
231.04996	24.9
231.07104	2.0
243.13808	1.5
249.06036	17.7
253.07140	2.1
255.13971	1.3
271.08148	1.9
314.18457	1.1
463.80005	1.2
495.91003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03946	5.5
55.01875	7.5
55.05513	1.7
57.03437	6.0
57.40548	0.8
61.02929	5.5
65.03939	7.7
66.04739	0.8
67.05500	3.5
68.99788	1.8
69.03431	38.2
69.07044	0.9
69.18382	5.8
71.04998	15.4
73.02904	3.5
79.05500	7.1
81.03419	21.6
81.07074	1.3
83.04982	1.7
85.02908	100.0
86.03236	1.1
87.00834	43.6
87.04474	1.3
91.05479	17.2
91.06010	1.5
92.05811	1.1
93.03412	30.1
93.07047	2.8
95.04962	3.0
95.08580	1.5
97.02894	31.2
98.03221	1.1
99.04465	9.9
101.02374	0.9
103.03945	1.8
103.05459	2.8
105.01868	80.4
105.07047	5.9
107.04976	1.8
107.08585	1.4
109.02883	30.9
109.06538	1.5
111.04433	0.9
115.03943	1.4
115.05465	5.0
115.18555	1.1
116.06210	0.9
117.01836	1.5
117.07018	7.0
119.08545	1.7
121.06496	3.7
127.03920	67.9
128.04257	1.7
128.06233	6.3
129.01868	2.9
129.07024	8.0
130.07768	1.0
131.04932	4.2
131.08554	9.3
133.06441	2.1
135.08055	3.5
137.05937	1.2
141.07001	6.7
142.07825	4.0
143.08545	2.6
145.03860	1.8
145.04961	26.0
145.06490	3.1
145.10117	2.8
147.02917	3.1
147.08064	1.3
151.03873	1.0
153.07002	5.8
154.07784	1.9
155.08551	8.5
157.10094	2.5
159.02875	8.5
159.08041	4.0
159.11690	1.1
161.05968	1.8
163.06094	1.2
163.07411	1.5
165.07037	2.1
167.07040	2.2
167.08551	2.2
168.09369	2.3
169.10139	2.2
171.07889	1.7
173.09641	3.0
177.05531	1.0
181.04935	2.9
183.08005	1.2
183.11690	2.4
187.07549	1.1
187.11151	1.1
189.03920	3.8
191.07057	4.1
192.07416	1.2
193.10103	1.2
197.09666	1.4
199.07498	1.0
199.11200	1.5
201.09042	1.0
201.12737	10.1
209.08086	2.0
210.08557	0.9
213.03934	6.4
215.14203	0.8
225.12689	0.9
231.05019	24.9
231.13808	1.0
243.13849	1.5
249.06038	14.5
250.06294	1.4
253.07039	2.4
255.13864	2.1
271.08020	1.5
393.10181	1.3
511.18631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.5
55.01876	33.4
55.05512	10.9
57.03428	7.1
61.02934	7.4
65.03954	2.5
65.47285	1.4
67.05505	9.7
68.99787	4.4
69.03432	53.2
69.07055	3.3
71.04996	13.0
71.30833	1.7
73.02924	7.1
77.56338	1.4
79.05508	13.0
81.03419	37.4
81.07038	9.2
83.01355	2.4
83.04987	13.4
84.37669	1.4
85.02908	100.0
85.06561	5.6
86.03258	1.8
87.00832	44.3
87.04489	2.0
91.05482	25.2
91.70222	1.5
93.03421	5.1
93.07042	15.1
95.04989	5.4
95.08617	5.4
97.02893	32.6
97.06553	2.5
99.04451	16.3
99.08094	3.5
100.08841	1.3
101.02373	1.7
101.06026	2.0
103.03958	2.1
103.05484	2.3
105.01869	45.6
105.07031	17.2
107.04970	4.7
107.08601	6.8
109.02880	36.7
109.06544	4.3
109.10155	1.7
109.36926	1.3
111.04462	2.5
111.08084	46.7
115.05475	5.6
117.01842	2.5
117.06998	10.8
119.04939	2.9
119.08559	11.6
121.06509	10.9
121.10121	2.9
123.04443	2.5
125.02419	2.2
125.09683	2.9
127.03923	64.1
127.75605	1.5
128.04300	2.0
128.06229	4.1
129.01810	3.6
129.07031	7.7
130.07835	2.5
131.04951	1.7
131.08563	16.3
133.10164	5.7
135.08051	11.0
135.11734	1.6
137.06035	2.2
141.06996	4.7
142.07768	4.0
143.08589	4.9
145.04980	25.2
145.06479	4.9
145.10112	11.0
147.02913	2.8
147.08063	5.0
147.11728	3.1
149.09636	4.4
153.07095	2.4
154.07817	1.8
155.08591	5.5
157.10149	2.9
159.02890	14.8
159.08058	6.8
159.11732	6.8
161.09628	6.8
161.13321	1.7
163.07602	4.9
163.11171	1.7
165.09145	4.9
167.07089	3.6
167.08514	2.1
168.09386	1.7
171.02840	1.9
171.08026	3.2
173.06015	1.6
173.09656	4.4
175.11171	8.8
177.09091	4.3
179.30177	1.7
181.04945	3.2
183.11734	1.8
186.01817	1.5
186.11327	4.3
187.11185	1.8
189.03979	2.1
189.12700	2.6
191.07047	1.9
199.11192	2.9
201.09070	2.4
201.12700	10.2
205.48836	1.5
213.03926	3.4
214.18120	1.9
219.13840	3.4
231.04951	15.9
231.06830	1.6
249.06099	3.1
287.05441	2.7
327.15701	1.7
542.08160	1.9
646.34796	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.2
55.01870	23.3
55.05513	12.5
57.03426	8.1
57.07075	2.8
61.02930	6.7
61.74881	2.3
65.03940	3.0
65.25823	2.5
67.05510	18.3
68.99792	7.6
69.03437	50.3
69.07063	8.3
71.04984	24.5
71.31368	3.0
73.02917	7.7
73.89462	2.4
79.01836	3.6
79.05489	20.0
81.03423	34.9
81.07078	17.0
83.04972	6.9
83.08650	3.0
85.02909	100.0
85.06543	10.7
87.00840	35.8
87.04475	5.4
91.05486	40.3
93.07051	19.1
95.04978	15.0
95.08605	12.8
97.02909	46.1
97.06542	10.2
99.04449	16.7
99.08100	3.0
103.05490	5.2
105.01876	41.4
105.03405	4.0
105.07005	24.6
107.04963	9.1
107.08588	13.6
109.02876	31.9
109.06512	5.4
109.10132	5.2
111.00871	2.7
111.04433	6.3
111.08092	18.9
115.05447	10.5
117.07043	20.1
119.08596	10.8
121.06496	17.5
121.10119	5.1
123.08063	4.8
127.03923	59.0
128.06219	9.0
129.01837	4.8
129.06967	13.3
130.04996	3.9
131.04929	2.9
131.08560	16.4
133.06525	5.2
133.10114	5.5
135.08066	16.3
137.05997	5.0
140.10686	3.4
141.06998	7.2
142.07745	4.3
143.08534	6.1
144.05676	3.4
145.04961	29.2
145.06476	7.2
145.10127	9.9
147.08064	8.6
147.11674	5.4
149.09636	3.2
151.07549	3.3
155.08598	9.3
157.10139	8.5
159.02904	7.2
159.08044	8.4
159.11723	2.9
161.06058	2.9
161.09573	5.9
163.07556	18.9
163.11205	4.0
165.09155	6.6
167.07103	7.4
169.10167	4.5
171.08148	4.9
173.09663	12.2
173.13237	4.2
175.07486	6.3
175.11212	9.1
177.09157	3.6
181.04965	4.9
185.09587	4.5
186.11238	9.2
187.07578	5.5
187.11267	3.4
191.07088	5.0
191.10661	3.6
197.09656	3.3
199.11150	3.4
201.09038	4.7
201.12773	10.7
203.14394	5.3
215.10794	3.5
217.12213	9.3
219.10229	3.5
219.13759	24.2
225.12685	3.7
230.36804	3.0
231.05038	18.2
243.13774	6.5
249.06042	8.5
261.14883	22.5
287.05594	3.5
303.15930	10.1
331.11038	2.8
467.19299	7.0
509.05710	4.1
646.27283	4.8
647.19098	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	646.395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44219	3.3
53.03944	14.5
55.01866	7.9
55.05509	21.9
55.16441	2.9
56.11188	3.4
57.03431	8.8
57.07078	6.3
59.50753	2.5
63.34107	2.5
65.03942	11.7
67.05505	49.4
67.10919	2.9
69.03437	38.6
69.07074	16.3
71.04993	15.6
71.08620	2.9
71.30620	4.7
75.04482	4.4
79.05495	68.6
81.03423	32.3
81.07057	48.6
82.07395	3.9
82.99155	2.9
83.04980	13.0
83.08620	8.1
85.02920	16.2
85.06560	4.6
85.07269	2.7
91.05483	63.5
92.55811	3.5
93.03405	12.2
93.07049	61.0
95.04971	21.7
95.08605	36.9
97.02899	12.6
97.06518	7.2
99.04494	3.1
99.08083	4.5
102.72411	2.9
103.05477	14.0
105.04511	5.5
105.07034	48.7
107.04926	4.4
107.08595	25.4
109.02869	9.4
109.06522	9.3
109.10139	17.6
111.04477	3.4
111.08084	5.2
115.05461	38.9
116.06264	4.4
117.07017	21.8
119.08578	36.2
121.06516	6.4
121.10153	30.6
121.37199	3.0
123.08076	11.1
123.11745	6.7
125.05961	4.8
125.09641	3.3
127.03902	3.8
127.05367	6.8
127.07573	5.7
128.06223	100.0
129.07016	87.3
130.07831	4.2
131.04930	6.4
131.08568	29.6
133.06485	7.1
133.10118	31.1
135.08089	8.2
135.11678	14.3
137.09601	7.2
141.06985	34.9
142.07790	25.4
142.93858	3.5
143.08563	31.2
145.04932	3.1
145.06497	17.3
145.10127	24.4
147.08089	5.8
147.11710	16.7
149.09602	7.1
149.13252	6.6
151.07562	5.9
152.06233	9.7
153.06979	54.5
154.07779	21.5
155.06039	15.3
155.08565	71.8
156.09264	11.7
157.06538	9.6
157.10115	24.6
158.07362	4.6
159.08105	4.0
159.11768	18.1
161.09651	5.1
161.13313	4.7
163.11205	7.9
165.06956	26.2
166.07787	13.3
167.08569	6.8
168.09393	4.2
169.06532	7.7
169.10123	6.6
171.08060	10.9
171.11699	13.2
173.13228	10.4
175.11205	5.7
181.10133	8.3
181.12259	4.8
183.11723	10.9
185.13190	6.3
187.11209	6.2
187.14827	7.3
189.12793	6.0
195.11636	4.2
197.13419	6.1
199.11214	37.5
200.11456	3.6
201.12770	4.7
209.13341	3.5
213.16415	4.9
215.14243	4.9
215.17967	8.9
217.12326	3.2
221.13431	3.6
221.15477	3.7
229.15875	3.2
231.17621	5.0
233.18929	5.6
245.19002	3.4
263.20120	3.9
273.18454	4.0
275.20093	6.6
313.21628	3.5
341.21106	8.1
359.22260	6.8
377.23349	8.7
646.37030	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	646.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.05506	32.0
57.03436	16.0
57.07975	4.2
61.85523	3.9
65.03906	4.5
67.05508	100.0
69.07063	19.8
70.97040	5.1
70.97381	6.4
71.55978	4.7
73.15108	4.3
79.05492	69.2
81.07061	91.2
83.04982	6.0
83.08625	16.7
91.05497	40.0
93.07045	71.1
95.08604	52.6
97.10184	9.6
105.07038	31.6
107.08595	49.6
109.06553	5.4
109.10176	35.7
110.01456	5.7
117.07056	8.8
119.08582	33.8
121.10158	26.1
122.19908	5.2
123.11701	6.9
125.09643	6.5
129.07072	6.7
131.08577	16.5
133.10129	23.6
135.05890	5.6
135.11739	16.1
145.10078	10.7
147.11708	10.3
149.13239	8.5
157.10155	8.4
159.11705	13.7
161.13257	9.2
173.13272	6.1
187.14891	5.4
216.27405	4.6
229.14296	8.1
236.91302	5.0
241.19380	5.6
259.20618	14.3
277.21545	13.3
296.37677	4.8
333.24570	8.1
335.25775	71.1
336.26080	7.2
351.25150	26.1
370.30038	4.8
411.04697	6.0
510.78775	4.8
522.96204	5.7
611.46136	13.3
646.47241	33.3
647.48016	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.2
55.05506	30.0
57.03438	11.6
65.03933	11.6
66.37125	9.6
66.77029	9.1
67.05508	92.0
69.07074	21.1
71.24021	15.7
79.05504	75.4
80.37632	8.7
80.82520	8.6
81.07061	100.0
83.08638	22.7
91.05492	75.1
93.07025	77.6
95.04986	14.4
95.08618	77.1
105.07039	60.4
107.08609	44.1
109.10165	28.2
117.07047	9.8
119.08562	55.1
121.10145	35.9
123.08040	11.2
131.08580	17.8
133.10150	69.3
135.11682	28.0
145.10138	32.7
147.11694	44.9
149.13251	14.9
152.55995	10.7
159.11751	22.9
161.13235	24.1
173.13266	16.6
182.72719	9.6
185.13261	16.9
226.82054	9.7
241.19405	20.5
243.21072	9.2
257.19092	10.1
259.20587	42.7
333.24252	37.2
335.25726	68.0
611.46246	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01859	2.9
55.05505	5.3
57.03434	1.2
57.07071	1.7
59.05006	5.9
65.03932	1.9
67.05508	18.8
69.03422	4.7
69.07074	6.5
71.04990	1.6
71.32027	1.1
75.04460	2.0
77.06666	1.1
79.05496	11.2
80.74078	1.3
81.03416	5.7
81.07059	14.1
83.04983	3.9
83.08622	3.4
85.02893	2.7
85.06538	2.2
86.97047	1.0
89.06024	1.7
91.05487	17.2
93.07051	18.0
95.04942	7.0
95.08608	18.0
97.02891	3.3
97.06538	1.8
97.10170	1.2
97.54738	1.1
99.04491	2.7
101.06032	1.9
103.77655	1.1
105.07024	17.3
107.04973	3.1
107.08591	23.3
109.02850	1.8
109.06521	14.8
109.10158	17.7
111.04423	1.4
111.08083	2.2
115.00225	1.2
117.07056	5.5
119.08582	16.3
121.06506	3.1
121.09423	1.1
121.10143	8.0
122.07234	1.9
123.08067	11.0
123.11708	3.9
127.03870	1.7
129.06970	2.9
131.08583	8.3
133.06519	2.9
133.10114	6.5
135.08078	4.2
135.11711	6.8
137.09619	100.0
138.09932	2.5
142.07805	1.6
143.08578	3.5
145.06563	1.3
145.10114	7.6
147.08022	3.5
147.11652	7.4
149.09622	7.1
149.13225	3.1
151.07547	4.4
153.06937	1.1
153.09108	2.5
155.08533	2.9
157.10135	4.5
159.11725	6.0
161.13228	6.8
163.11180	5.6
165.09131	1.6
167.08548	1.3
169.10176	1.7
171.11676	4.0
173.13293	3.7
175.14891	1.5
177.12701	1.7
181.12257	3.2
183.11711	2.3
185.13127	1.5
187.14908	1.5
189.12714	7.7
193.12233	1.4
197.13222	1.5
199.11224	1.7
199.14844	1.6
201.12709	1.5
205.12318	1.5
207.13824	10.2
209.13110	1.3
221.13182	1.6
221.15364	2.3
251.16420	2.4
261.22159	2.5
285.21957	1.1
303.23062	2.1
341.24786	2.1
351.23111	1.5
369.24295	3.8
387.25244	5.4
405.26343	3.7
447.05792	1.5
571.19165	1.8
647.39435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.3
53.03951	10.0
55.01876	13.7
55.05514	10.8
57.03437	9.2
61.02926	8.5
65.03938	5.6
67.05503	17.3
68.99786	1.8
69.03432	51.6
69.07071	3.3
70.03769	2.8
70.46461	4.5
71.01360	3.9
71.04991	19.1
73.02927	8.3
79.05498	26.2
80.05833	1.4
81.03426	30.5
81.07061	27.2
82.03758	3.8
83.01360	1.9
83.04990	12.8
85.02909	100.0
85.06538	9.0
86.03255	5.3
87.00829	46.0
87.03319	2.0
87.04465	2.0
91.05482	49.9
93.03407	16.1
93.07046	19.3
95.04964	12.0
95.08616	15.6
97.02898	32.1
97.06548	3.6
98.03193	1.8
99.04461	11.0
100.07600	2.2
101.02339	1.6
103.03936	4.1
103.05476	5.8
105.01874	73.8
105.07037	34.0
106.02189	5.8
106.07361	1.8
107.02280	3.0
107.04977	4.9
107.08633	8.8
109.02889	28.7
109.06506	4.2
109.10162	4.7
110.03192	3.4
111.04469	3.1
111.08120	3.5
112.02341	1.7
115.05467	10.7
116.06266	3.7
117.01833	2.7
117.07032	18.7
118.07343	1.8
118.10201	1.5
119.04972	2.5
119.08582	19.6
121.06522	22.2
121.10163	3.5
123.04436	3.3
123.08068	4.9
125.02438	1.8
127.03924	63.3
128.04271	6.9
128.06224	28.1
128.07104	2.4
129.01851	4.8
129.04395	2.0
129.07021	24.3
131.04944	4.3
131.08566	18.0
133.06505	4.9
133.10107	7.8
135.08055	6.4
137.05984	2.6
137.09639	7.5
141.06964	7.4
142.07762	9.7
143.08563	18.8
145.04950	28.2
145.06500	9.5
145.10101	8.0
146.05310	2.7
147.02879	1.8
147.08041	9.4
147.11674	3.7
149.06027	2.7
149.09634	3.4
151.07561	2.4
153.07007	2.1
154.07736	1.8
155.06036	1.9
155.08589	10.3
155.10651	4.2
156.09239	2.1
157.06535	4.2
157.10143	8.2
159.02904	9.1
159.08098	6.0
159.11716	4.3
161.06015	3.2
161.09653	5.1
163.07561	4.0
165.06987	2.8
166.07726	1.9
167.08554	5.8
169.10150	5.7
170.07242	2.6
171.02930	2.3
171.08057	7.9
171.11668	3.6
173.09668	6.9
173.13315	4.0
175.07593	4.6
175.11292	2.5
175.14772	2.1
177.09045	1.9
178.07739	1.9
181.05002	3.5
181.10083	3.6
183.08008	3.4
183.11723	2.8
185.09657	5.4
185.13289	2.8
186.10332	1.7
187.07600	2.0
187.11201	2.7
187.14873	2.5
189.03963	3.2
189.09137	3.1
195.08131	1.7
195.11668	2.0
197.09608	1.7
197.13252	2.0
199.07449	1.7
199.11166	5.1
199.14801	2.3
201.09131	2.8
201.12738	5.5
202.13052	2.1
203.14372	15.7
203.17909	1.9
205.12125	2.7
211.11247	1.7
213.03952	6.1
217.12274	1.8
217.15759	1.9
221.15404	7.8
223.11351	2.1
227.10649	2.5
227.14409	2.5
231.04994	22.4
232.05386	3.4
233.05714	2.6
235.09610	2.5
239.14389	3.0
243.13721	2.6
245.15392	10.9
249.06068	11.9
250.06337	1.7
251.06529	2.0
257.15332	5.0
269.15515	1.8
275.16483	2.1
283.16998	1.7
287.05490	6.2
287.16437	6.5
311.16391	5.1
329.17267	3.7
347.18393	3.0
415.17514	2.2
433.18481	2.4
445.62946	1.7
612.75165	2.0
649.26416	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	648.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01881	1.5
55.05518	3.7
57.03436	2.0
57.07072	2.0
61.02932	4.4
67.05514	10.2
69.03430	10.7
69.07078	7.8
69.69862	4.1
71.04992	2.0
73.02921	1.4
79.05494	8.3
81.03416	4.1
81.07059	23.2
82.07382	1.2
82.75404	0.7
83.08627	3.6
85.02908	65.4
86.03212	0.7
86.06036	1.7
87.04494	1.3
91.03951	3.4
91.05496	5.6
91.05987	1.0
93.07047	19.9
95.04961	1.0
95.08609	15.9
97.02897	16.0
97.06521	1.5
97.10194	1.4
98.23308	1.0
99.04465	2.9
105.07038	13.8
106.07458	1.3
107.08598	17.9
108.45100	0.8
109.02877	5.6
109.10162	12.5
114.09195	1.1
116.10759	2.8
117.07050	3.2
119.08575	12.1
121.10157	11.3
123.11720	7.2
125.09624	1.1
127.03907	16.5
127.04768	1.1
127.11251	1.5
130.05025	2.9
131.08578	5.6
133.10144	10.6
135.11699	9.5
137.13261	1.8
142.08685	1.2
143.08585	1.5
145.04961	36.9
145.10152	7.4
147.11685	6.9
149.13255	21.9
157.10239	1.1
159.11693	6.5
160.09750	2.5
161.13257	10.0
163.06018	19.5
163.07352	1.3
163.14821	6.4
173.13319	4.8
175.14835	5.8
177.16400	1.5
187.14864	7.8
189.16420	9.0
201.16379	6.2
203.14284	1.6
203.17995	2.3
204.14705	1.2
214.18158	1.0
215.18011	7.8
216.18291	1.2
227.17934	1.1
229.19589	3.0
258.17084	1.0
271.24207	100.0
272.24512	7.5
289.25284	20.2
290.25690	1.3
325.11365	4.6
387.00769	0.9
388.23386	4.0
415.04947	0.9
513.83466	0.9
543.34497	1.0
649.27979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.7
55.01873	12.8
55.05523	24.9
57.07072	7.3
59.46955	5.7
67.05509	82.2
69.03439	66.4
69.07077	21.9
69.67645	21.1
69.68000	11.7
71.04993	40.3
79.05499	70.9
81.03423	44.7
81.07059	79.4
83.04990	18.5
83.08626	10.7
85.02923	17.4
85.06556	20.2
91.05484	84.2
93.07053	100.0
94.59145	6.1
95.04978	30.1
95.08614	57.4
96.21697	6.2
97.02901	12.0
97.06548	14.9
97.10177	6.8
105.07034	89.6
107.04943	10.2
107.08582	46.3
109.02922	10.4
109.06555	14.6
109.10167	25.1
115.05457	11.5
117.07006	44.3
119.04956	11.4
119.08581	82.7
121.06528	13.8
121.10142	49.0
123.08099	18.8
123.11740	13.7
125.05995	9.3
125.09621	10.0
127.03931	8.3
128.06287	12.6
129.07021	33.3
131.04924	7.9
131.08580	66.5
133.06488	8.5
133.09242	6.3
133.10110	39.0
135.08096	13.7
135.11728	20.2
137.06050	7.5
137.09627	10.6
139.11250	7.1
141.06995	13.1
142.07828	12.5
143.08562	28.3
145.06456	10.8
145.10127	34.9
147.08089	15.6
147.11693	51.0
149.09663	12.2
149.13344	9.1
151.07683	9.6
153.07005	8.4
155.08554	16.7
157.10143	27.7
158.10838	8.4
159.08109	16.7
159.11716	30.9
161.09647	15.0
161.13263	12.5
163.11203	23.0
165.09085	10.0
169.10185	8.5
171.11703	24.8
172.08821	5.9
173.09654	12.5
173.13248	41.1
175.11157	7.2
175.14702	5.8
181.12251	7.9
183.11659	15.0
185.09518	6.5
187.11287	8.2
187.14821	9.0
189.12756	11.0
191.14276	30.0
195.11777	7.9
199.14891	6.2
201.12834	14.7
211.11182	7.1
213.12766	9.5
215.14493	6.3
215.17966	9.2
216.39836	6.7
219.13808	10.7
221.15396	11.5
225.16393	7.0
233.18987	7.5
323.20026	6.0
337.39780	6.9
341.21048	18.8
359.22214	17.4
373.77792	6.0
377.23294	16.9
533.77985	6.6
648.42670	7.6
659.17773	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	649.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12401	0.7
55.05521	2.4
60.04528	1.9
64.99220	0.6
65.18182	0.8
67.05518	3.7
69.07073	2.1
71.08641	0.9
71.13810	1.4
79.05502	2.6
81.07061	3.8
83.08650	1.5
85.95344	0.8
91.05507	1.0
93.07066	3.3
95.04987	1.2
95.08617	3.8
97.10224	1.1
105.07044	1.8
107.08597	1.9
109.10197	2.5
119.08676	0.9
121.10159	2.0
131.08615	1.4
133.10161	1.3
135.11702	1.9
145.10162	1.5
148.26830	0.7
155.08549	0.8
213.16473	0.8
241.74361	0.9
354.43799	0.8
359.52698	0.8
403.19254	2.2
415.19135	1.6
416.20380	1.5
417.20813	3.1
419.22485	1.3
430.17355	1.2
431.18701	2.9
432.18970	1.5
433.23950	3.1
443.18881	1.1
444.19833	2.8
445.20145	6.7
446.21536	1.6
447.21771	1.6
459.22275	6.7
460.22662	5.1
461.23352	4.1
473.19153	5.7
474.19995	2.0
487.21246	2.8
489.22842	1.7
501.22864	1.1
502.23807	3.0
503.24683	6.8
515.24170	1.4
519.23987	1.6
531.23944	1.2
533.21649	1.7
547.27240	11.4
548.27246	1.0
559.23553	1.1
560.24219	0.9
561.24890	4.4
589.28064	24.1
590.28326	3.9
607.29120	2.6
630.54694	1.2
631.55432	1.3
649.30225	100.0
649.41937	3.9
650.30475	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	649.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00304	0.6
55.05525	0.6
55.16930	0.7
55.45887	0.5
57.07065	1.3
67.05524	1.1
69.54126	3.3
70.06594	2.2
79.05485	1.0
81.07054	1.6
83.08605	0.7
88.07620	2.1
91.05476	1.2
93.07041	1.8
95.04996	1.2
95.08645	1.6
98.22647	1.0
102.09196	1.3
105.07040	1.9
107.08591	1.0
109.06456	0.8
109.10202	1.0
119.08594	2.0
121.10164	1.0
131.08562	0.9
133.10167	1.5
137.09531	0.8
143.08601	1.1
145.10141	1.6
147.08090	0.7
149.02342	1.6
151.07599	1.3
157.10150	0.6
159.11668	0.7
163.11238	1.1
167.10675	1.4
185.04230	0.8
185.13295	1.0
193.04962	1.8
203.05273	1.5
203.14357	1.2
220.72034	0.7
221.15465	1.0
228.23201	3.3
233.15286	0.8
256.26358	3.3
259.07974	1.5
347.09329	1.2
365.10641	3.0
421.13293	1.0
471.30728	1.1
487.28821	19.8
488.29105	1.7
649.34021	100.0
649.51642	6.7
650.34290	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	649.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.8
52.79795	0.7
53.03944	2.2
55.01880	2.7
55.05520	6.3
55.20786	0.8
57.03444	5.4
57.07054	0.8
59.04994	1.2
61.02928	8.4
65.03960	1.8
67.05507	13.1
69.03430	11.1
69.07069	9.4
70.77280	1.7
71.01352	2.2
71.04996	2.0
73.02924	63.6
77.03935	1.2
79.05498	12.1
81.03414	1.9
81.07060	20.0
83.04996	2.9
83.08638	2.8
85.02907	7.1
87.04488	1.2
91.05485	17.7
93.03381	1.0
93.07049	19.5
95.04990	4.3
95.08612	39.3
97.02898	9.2
97.06543	2.3
97.10159	2.1
103.05495	1.2
105.07037	32.7
107.04980	1.2
107.08607	25.4
109.02914	1.1
109.06522	3.6
109.07191	1.0
109.10162	15.5
111.08069	2.4
111.11763	1.2
113.02372	0.9
115.03926	8.7
115.05476	2.0
116.06242	1.8
117.07017	8.9
119.08587	55.8
120.09017	1.0
121.06500	5.5
121.10142	14.7
122.10487	1.1
123.04408	0.8
123.08101	3.4
123.11720	4.1
125.06013	2.6
127.03937	2.8
128.06248	3.9
129.07016	8.1
130.07794	2.9
131.08578	32.5
133.05000	1.8
133.06493	2.6
133.10143	24.8
135.08081	6.1
135.11713	11.0
137.05974	2.1
137.09645	4.6
137.13254	1.9
141.07028	2.9
142.07794	5.5
143.08586	21.1
144.09355	3.4
145.06499	1.6
145.10132	55.4
146.10606	1.9
147.08072	6.7
147.11696	12.0
147.12759	1.2
149.02412	1.2
149.05969	2.7
149.09662	3.5
149.13257	5.8
151.07558	3.3
153.05550	1.1
155.08536	7.3
156.09377	4.3
157.10136	22.3
158.10722	1.4
159.08067	3.4
159.11705	24.7
161.09662	5.7
161.13242	11.5
162.13680	1.0
163.07579	1.9
163.11243	1.5
163.14850	9.5
165.09161	3.1
167.08606	1.0
168.09406	1.7
169.10132	8.2
170.10898	3.0
171.08150	1.8
171.11693	17.0
172.12434	2.3
173.09677	3.6
173.13275	17.0
175.07663	1.1
175.11217	4.2
175.14838	11.7
177.09152	2.0
177.12766	3.6
177.16449	3.5
179.08571	1.2
179.10701	2.5
179.14255	1.5
181.08643	1.9
181.10158	3.9
182.10866	2.5
183.11702	13.1
185.09662	1.7
185.13287	18.1
187.11269	3.6
187.14832	100.0
188.15094	5.1
189.09222	1.8
189.12724	9.8
189.16399	12.4
191.10811	1.3
191.14287	5.5
193.10193	1.2
193.12276	2.5
195.11798	4.0
197.08110	2.5
197.13284	6.8
198.14032	0.8
199.11220	3.7
199.14833	24.0
200.15230	1.3
201.12730	4.6
201.16400	21.1
202.16795	1.2
203.10712	2.0
203.14334	50.8
203.18079	3.5
204.14655	2.2
205.12291	1.8
205.15860	8.7
207.11751	1.8
207.13803	1.7
209.13345	3.7
211.11276	1.2
211.14883	5.3
212.15320	0.8
213.12825	3.1
213.16391	21.8
214.16838	1.4
215.14339	6.5
215.17915	4.9
217.12311	2.7
217.15903	11.0
218.16208	0.9
219.11848	1.1
219.13857	2.8
219.17397	1.8
221.13403	1.2
221.15256	1.1
222.13762	1.0
223.14926	3.6
225.16371	5.9
227.14403	2.7
227.17986	5.7
229.12476	1.8
229.15898	7.0
229.19626	1.4
231.13863	3.8
231.17436	4.1
233.15414	5.6
235.13002	1.2
235.15031	1.2
237.16383	4.1
239.14493	1.1
239.18024	6.4
241.12122	1.2
241.15858	2.3
241.19521	5.6
243.13876	3.3
243.17455	1.9
243.21126	1.1
245.15459	4.7
245.19099	1.0
247.13190	1.2
247.17027	2.5
249.14645	1.4
251.18010	3.6
253.19510	3.5
255.17429	2.0
255.21233	1.2
257.18994	1.0
259.17014	1.5
261.14844	1.7
263.16278	1.6
265.19601	3.0
267.21078	3.7
279.21027	1.2
281.22733	1.6
283.17358	1.1
283.20642	2.1
287.05496	1.1
297.18600	1.3
305.22736	1.3
307.24072	4.9
309.25726	10.7
310.26062	1.2
325.25327	5.0
331.24265	1.0
353.24750	6.2
361.04663	1.0
371.25873	7.9
373.29022	3.1
379.26370	2.2
381.27942	1.3
387.26773	2.1
389.28333	7.2
390.28729	1.2
391.30045	7.3
399.27704	1.7
401.28564	1.1
405.27744	5.1
407.29556	12.9
408.29868	1.8
409.31015	3.3
417.27997	7.4
418.28632	1.0
419.29526	4.6
423.28693	4.4
425.26071	1.5
425.31171	1.5
433.27481	3.8
435.28973	26.5
436.29456	4.0
437.30630	8.1
445.27188	3.0
451.28381	8.9
453.29974	19.0
454.30148	1.6
455.31665	9.2
463.28262	6.1
464.28607	1.0
469.29572	13.0
470.29639	1.1
471.31088	1.3
481.29523	10.0
482.30148	1.5
499.30612	5.9
517.30969	1.3
587.35956	10.3
588.36218	1.6
601.33649	15.0
602.33704	2.5
604.64154	0.9
619.35114	1.6
631.35034	7.1
649.22534	6.0
649.37170	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	649.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30266	0.9
53.03934	1.1
55.01881	2.6
55.05505	6.2
57.03447	5.6
57.07074	1.5
61.02940	5.7
65.03957	2.1
65.74834	0.9
66.91929	1.3
67.05507	9.8
69.03435	9.1
69.07063	8.5
69.64481	5.3
71.01357	1.9
71.04995	1.3
73.02918	49.6
75.80314	0.8
79.05492	11.0
80.05900	0.8
81.03442	2.3
81.07060	19.2
83.04991	2.1
83.08620	3.3
83.28135	0.9
85.02904	6.6
85.06551	1.1
87.04462	2.2
91.05485	16.2
93.03391	1.0
93.07048	19.4
94.07374	1.0
95.04999	3.6
95.08607	35.1
97.02903	9.4
97.06559	2.9
97.10173	2.2
103.05486	1.2
105.04530	0.8
105.07037	32.0
106.07329	1.6
107.04964	2.1
107.08597	24.5
109.02897	1.6
109.06545	4.3
109.10159	15.5
111.04477	1.7
111.08080	1.9
115.03940	10.8
115.05472	1.9
117.07017	8.6
119.08583	49.2
119.86577	1.0
120.08900	2.2
121.06499	7.3
121.10131	13.6
123.08092	3.4
123.11714	4.5
125.06012	1.5
125.09568	1.3
127.03935	3.3
128.06245	3.9
129.07013	5.8
129.70317	0.9
130.07845	1.7
131.08569	28.7
132.08925	1.2
133.06554	2.2
133.10132	23.7
134.10559	1.4
135.04469	1.3
135.08084	4.9
135.11697	10.6
137.05957	1.6
137.09595	4.7
137.13199	1.9
141.07047	2.7
141.39325	0.9
142.07832	3.5
143.08559	18.6
144.09341	1.9
145.05026	0.9
145.06448	1.4
145.10121	52.0
146.10474	1.6
147.08052	6.1
147.11694	12.1
148.11972	1.2
149.02357	1.3
149.06020	2.6
149.09662	3.2
149.13286	6.7
151.07544	2.3
151.11243	1.6
151.52745	0.9
155.07378	1.3
155.08510	7.0
156.09349	2.7
157.10121	18.2
158.10829	2.1
159.08063	3.4
159.11685	21.9
160.11967	1.3
161.09607	6.1
161.13245	9.8
161.47223	0.9
162.13623	1.1
163.07550	1.8
163.11194	2.2
163.14827	7.3
165.09132	3.5
167.08546	1.8
168.09322	1.6
169.10158	7.4
170.10873	2.9
171.08096	1.1
171.11703	11.6
172.12386	1.6
173.09677	2.5
173.13242	15.8
173.14618	1.4
174.13594	1.6
175.07550	1.8
175.11197	3.1
175.14830	11.1
177.09149	2.8
177.12782	3.2
177.16415	3.6
179.10689	1.2
179.14346	1.4
181.08643	1.0
181.10150	3.9
182.10823	1.3
183.11697	12.1
184.12204	1.5
185.09612	1.1
185.13272	18.0
186.13828	1.0
187.11246	4.1
187.14822	100.0
188.15175	5.2
189.09151	1.6
189.12744	7.7
189.16383	10.0
191.10675	1.7
191.14331	4.6
193.10239	1.5
193.12321	1.6
193.36182	1.0
195.11705	2.2
196.12436	1.4
197.08101	1.6
197.13260	6.5
199.11226	2.7
199.14832	22.6
200.15324	1.6
201.12740	5.7
201.16391	19.7
203.14310	46.8
203.17775	2.2
204.14633	2.1
205.12270	3.4
205.15892	9.5
206.16551	0.9
207.11746	1.7
207.13887	2.2
209.13321	3.2
211.14810	5.4
213.12962	1.7
213.16359	18.9
214.16711	1.6
215.14340	6.3
215.17967	6.0
217.12289	2.3
217.15849	12.5
219.13873	3.0
219.17476	1.7
221.15323	1.3
223.14845	2.6
225.12849	1.6
225.16360	5.0
227.14229	2.4
227.17888	7.1
228.14664	1.3
229.12251	1.4
229.15849	6.3
229.19394	1.2
231.13864	3.5
231.17502	3.7
233.15369	6.8
235.13225	1.5
237.16460	4.1
239.14330	1.2
239.17966	6.7
240.18419	1.4
241.15892	2.2
241.19629	4.4
243.13843	3.0
243.17606	1.4
245.15350	5.8
247.17041	2.7
249.14925	2.5
250.83105	1.0
251.18024	3.4
253.19566	4.2
255.17441	1.3
257.19135	1.0
259.17023	1.8
261.14941	2.8
265.19397	1.3
267.21066	2.9
277.19617	1.9
279.21014	2.2
281.22769	2.3
283.17117	1.3
285.18573	1.4
287.20267	1.1
305.22784	1.2
307.24112	4.7
309.22711	1.5
309.25815	11.8
325.25284	4.4
335.23749	1.4
353.24704	6.9
371.25839	7.4
372.26425	1.7
379.26276	2.0
387.26685	2.3
389.28482	6.6
390.20789	1.1
391.30020	7.2
397.27341	1.2
399.28339	1.2
405.28128	5.9
407.29422	9.3
409.31058	3.2
417.27890	10.4
419.29395	6.0
423.28845	4.5
425.26233	1.7
425.31110	2.1
433.27496	3.3
435.28891	26.3
436.29089	2.5
437.30722	8.7
451.28247	8.8
453.30066	15.9
454.30237	2.2
455.31522	8.1
463.28296	5.4
464.29080	1.5
469.29395	9.0
471.31030	1.8
481.29370	11.2
482.29184	1.3
499.30444	6.7
517.31500	2.6
556.06842	1.1
572.70355	1.1
587.35913	10.4
588.35638	1.5
601.33722	18.4
602.34119	3.6
631.34753	6.6
649.25439	1.2
649.36383	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	649.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47871	2.1
51.57624	2.3
53.03951	6.2
55.05512	17.0
57.03440	6.7
57.07073	6.5
59.04998	2.4
61.02925	7.8
63.56880	2.0
65.03952	3.3
67.05511	20.5
69.03436	20.8
69.07063	21.7
71.04993	4.8
73.02950	2.6
73.76240	2.2
79.05499	16.0
81.03409	5.1
81.07060	39.3
83.04989	7.5
83.08639	12.4
85.02910	59.8
85.06537	3.0
85.58688	2.5
87.04461	3.9
91.05486	24.1
92.99809	2.4
93.07043	37.4
95.04958	5.8
95.08608	67.8
97.02880	16.4
97.06493	2.7
97.10175	3.5
99.08102	3.7
105.07031	49.4
107.04919	2.7
107.08598	60.2
109.02880	10.6
109.06519	2.4
109.10149	45.1
111.08089	6.8
115.05389	2.6
117.07011	14.0
119.08579	99.8
120.09012	2.6
121.06509	3.3
121.10146	48.1
123.08075	5.6
123.11702	21.2
125.09664	4.1
127.03868	11.6
128.06215	5.2
129.06975	8.4
130.07802	5.6
131.08574	44.7
133.10133	64.0
135.08081	9.0
135.11716	20.7
137.09602	4.1
137.13223	3.3
142.07785	9.3
143.08542	28.6
144.09322	4.8
145.04959	7.9
145.10120	98.1
146.10545	3.3
147.11696	30.5
149.09633	5.7
149.13278	14.1
151.11185	7.0
155.08531	6.7
156.09366	6.8
157.10121	35.2
158.10883	6.4
159.08110	2.5
159.11693	81.9
161.09621	5.1
161.13237	25.9
163.07527	4.4
163.11151	10.9
163.14819	13.4
167.08615	2.6
169.10178	8.9
170.10876	10.5
171.11693	39.0
172.12474	4.2
173.13275	54.7
174.13560	2.7
175.11017	4.9
175.14825	23.0
177.09169	3.7
177.12758	4.9
177.16350	15.6
179.14224	5.8
181.10126	4.0
182.10910	3.2
183.11691	32.9
184.12440	3.8
185.13249	56.1
186.13704	4.5
187.14810	100.0
188.15189	2.7
189.12724	3.8
189.16353	35.9
190.13527	3.5
191.14282	7.3
191.17946	5.6
193.15863	5.9
195.11684	5.5
196.12445	3.2
197.13255	15.1
198.13795	2.3
199.14828	45.8
200.15175	4.1
201.16389	95.9
202.16759	5.5
203.14323	14.8
203.17950	15.5
205.15878	43.6
207.17484	13.3
209.13246	3.7
211.14853	13.5
213.12814	6.6
213.16408	25.9
214.16693	2.7
215.14442	11.3
215.17973	21.7
217.12384	2.3
217.15891	11.8
217.19504	2.8
219.14021	2.2
219.17473	13.3
223.14908	4.4
223.16888	4.8
225.16411	6.4
227.14294	6.7
227.17969	8.4
229.15904	7.4
229.19536	5.1
231.13814	5.5
231.17451	5.7
233.15375	5.9
233.19022	6.8
237.16354	4.0
239.17992	5.1
241.19507	8.2
243.21165	4.4
245.15355	23.9
247.16940	5.8
251.18050	4.4
252.18605	2.9
253.19499	5.9
255.21136	10.1
257.22641	4.3
259.17023	4.1
267.21097	7.5
269.22580	5.8
271.16855	2.5
273.35025	2.5
279.20898	2.5
281.19055	2.5
281.22769	3.6
283.20529	3.1
299.20071	3.3
301.21661	9.3
313.21582	5.7
332.25424	2.8
387.30371	10.0
389.31967	16.3
405.31531	39.0
406.31757	4.7
407.33109	25.1
408.33206	3.9
410.80905	2.2
415.29688	5.3
421.30884	4.4
423.32333	16.1
424.32425	2.9
425.34262	11.0
433.31036	51.5
434.31165	6.0
451.32117	63.0
452.32422	5.9
469.33133	22.9
479.68958	3.2
605.07898	2.5
631.38409	69.0
632.38562	9.5
638.29498	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	650.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91565	1.9
53.03952	8.2
55.01868	2.6
61.02929	3.9
65.03940	3.7
67.05488	3.4
67.57060	1.5
69.03416	2.1
69.68199	8.1
70.06582	2.8
79.05492	5.9
81.03448	2.4
84.08134	1.8
85.02907	7.1
86.06043	2.3
91.05504	13.7
93.03400	7.4
93.07035	5.1
95.04966	46.5
97.02913	1.9
103.05479	6.7
105.04498	4.2
105.07038	13.8
106.04179	15.3
107.04968	10.4
115.05441	1.9
117.03341	2.2
118.04200	1.6
119.04931	4.1
120.08128	2.2
121.06496	21.3
123.04434	50.4
123.08031	1.9
125.05977	5.7
127.07590	2.1
131.04936	2.7
133.06485	9.0
134.03653	2.2
135.04437	4.5
137.05977	6.2
139.07506	2.8
140.04671	12.8
147.04396	3.6
148.05235	1.9
149.05994	39.9
151.07559	3.2
153.09103	7.7
155.07037	28.0
161.05977	28.4
162.06435	2.3
163.03923	5.8
163.07491	2.5
167.07051	39.0
177.05464	27.1
179.07086	5.3
181.08623	18.5
183.06535	50.7
191.07021	4.4
192.07912	1.8
193.08609	44.0
194.08984	2.7
195.06531	20.7
207.06526	2.7
209.08089	100.0
210.08350	1.9
210.51714	1.8
225.07541	15.5
227.09128	2.2
243.08615	2.5
251.09151	2.4
302.39816	1.7
435.16183	2.0
463.07416	1.9
589.66614	1.8
591.24469	2.3
650.22449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	5.4
57.07078	3.9
60.04589	2.7
67.05506	8.0
69.07086	8.8
69.99813	2.5
71.31185	4.0
71.31568	3.5
79.05489	13.9
81.07064	18.6
83.08624	3.0
91.05483	18.6
93.07050	26.0
94.07363	2.6
95.04959	3.1
95.08627	33.4
99.08034	6.1
105.07037	70.8
107.08604	34.9
109.10164	6.3
113.09727	2.8
117.07028	3.7
119.08587	73.6
120.21801	2.3
121.10169	9.9
123.08036	3.1
123.11704	5.9
131.08588	6.7
133.06491	3.3
133.10133	85.9
135.11707	44.0
137.09589	6.0
147.11708	8.5
149.13243	4.5
159.11736	4.7
160.58899	2.4
161.06017	5.5
173.13271	6.4
175.14828	100.0
176.15172	3.9
193.08636	3.2
193.15889	11.1
284.97424	2.5
435.82901	2.5
453.88678	3.3
552.12024	2.8
596.94818	2.6
621.21753	2.6
666.62579	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56675	0.4
69.03387	0.5
69.07011	0.5
69.10123	1.3
69.10547	2.2
71.04944	0.7
73.50655	0.4
83.01043	0.6
85.02849	1.0
91.05433	0.4
95.01032	0.8
95.08552	0.7
96.01801	0.7
97.02618	0.5
105.06950	0.5
113.02036	1.3
119.08504	0.9
127.03693	0.5
128.06142	0.6
132.08070	0.5
136.07559	0.6
139.03596	0.5
145.10083	0.6
157.09947	0.6
159.09137	0.7
159.11613	0.5
180.02966	0.4
183.02567	0.6
185.04196	2.6
201.03491	0.8
205.04741	0.4
241.11998	1.0
243.04785	1.0
245.06551	3.3
247.16776	0.5
273.05750	0.6
345.07819	1.2
347.09384	1.0
363.08890	3.0
365.10495	1.6
373.06039	0.5
389.10632	3.2
389.15097	0.6
403.17386	0.5
405.09991	8.0
407.11627	3.1
433.09564	3.4
445.18317	1.0
449.09061	1.4
451.10559	1.8
547.21472	1.4
565.22388	6.8
566.22589	0.6
607.23584	100.0
608.23938	11.5
651.22546	64.2
652.22986	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	651.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
53.03945	0.3
53.36818	0.1
55.01864	0.5
57.03442	0.7
61.02934	0.8
65.03941	0.7
66.04716	0.4
68.54604	0.1
69.03436	2.4
69.71116	0.4
70.06586	0.2
71.04997	0.3
73.02924	0.3
77.03916	0.2
79.05508	1.3
81.03420	1.0
81.07046	0.5
83.01338	0.2
85.02907	8.5
87.04528	0.1
87.75332	0.1
91.03967	0.2
91.05482	4.3
92.04034	0.1
93.03419	0.2
94.04188	2.3
95.04975	0.5
97.02899	2.5
98.22631	0.2
99.04453	0.5
103.03947	0.1
103.05471	3.6
105.03426	0.6
105.04505	0.2
105.07032	3.3
107.04948	0.5
109.02889	0.9
109.06526	1.0
115.05461	1.7
117.07020	1.3
118.04164	0.1
119.04951	4.4
121.06527	0.4
122.03651	5.9
123.04492	0.7
127.03922	1.6
128.06239	0.4
129.06999	0.9
129.10274	0.1
130.04182	0.5
131.04930	7.6
132.05295	0.1
133.06494	3.6
133.07538	0.2
135.04404	0.3
136.05229	0.1
137.05977	100.0
138.06317	2.8
139.05486	0.1
143.04930	0.5
145.04974	1.4
145.06483	3.5
146.03632	0.7
147.04410	16.4
148.04724	0.5
149.05980	1.4
150.06755	0.3
151.07515	0.4
155.04913	0.7
155.06044	0.2
157.06499	1.1
159.04442	0.1
161.05978	25.7
162.06700	1.9
163.06194	0.1
163.07529	2.6
165.05486	0.4
165.06999	0.4
173.05986	9.6
174.06357	0.4
175.07558	0.7
177.05406	0.3
178.07777	0.7
179.07040	1.1
179.08495	0.2
181.06476	0.2
181.10240	0.1
185.05992	3.3
186.06282	0.1
187.07552	0.4
189.05467	0.1
189.07001	0.3
190.07790	1.0
191.07021	0.4
191.08566	3.4
192.09116	0.2
193.10130	0.5
194.07237	0.2
195.08035	0.2
202.07771	2.0
203.06982	1.9
203.08580	3.6
204.08952	0.2
205.06464	0.3
206.07272	0.5
207.08003	0.3
208.08694	0.1
209.09572	0.2
213.07169	0.1
218.07339	0.6
219.08047	5.4
220.08719	0.9
221.06046	0.2
221.09625	1.2
222.06606	0.2
222.10139	0.2
229.07695	0.2
231.08055	4.3
232.08519	0.4
233.09474	0.2
234.06731	0.4
235.07509	0.4
236.08334	0.8
237.09087	2.3
238.09593	0.2
239.07022	0.1
241.08577	0.2
247.07550	2.6
248.08250	1.2
249.09108	2.4
250.06122	0.2
250.09639	0.3
251.06793	0.2
251.10683	4.2
252.11092	0.1
253.08621	0.2
254.09404	0.1
259.07562	2.4
260.08151	0.5
261.09174	0.3
263.07062	0.2
263.10666	0.6
264.07843	0.5
265.08640	3.2
266.09171	0.7
267.06546	0.4
269.08136	0.3
269.11642	0.5
276.07761	0.5
277.08612	7.5
278.09021	0.5
279.10129	2.5
280.10666	0.2
281.08099	0.9
281.11731	0.4
282.08911	0.9
291.10135	1.7
294.09091	0.2
295.09711	0.2
296.10358	0.1
297.11206	22.9
298.11563	1.8
309.11197	11.6
310.11597	0.7
311.12878	0.1
321.11212	0.2
327.12344	1.9
351.12112	0.1
399.74396	0.1
418.85965	0.1
471.16425	0.1
585.25781	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	651.2809
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
51.72502	0.4
67.05454	0.7
69.41029	3.0
69.62631	0.4
79.05408	1.0
79.36327	0.4
81.06996	1.0
91.05403	0.6
93.06987	1.1
94.06493	0.5
95.08518	0.8
95.39881	0.6
105.06946	1.2
107.08502	0.6
109.10008	0.6
119.08459	1.7
121.10049	0.5
133.09998	1.8
135.11623	0.5
144.12842	0.5
147.02658	0.5
153.08878	0.5
175.14743	1.3
182.09509	0.7
223.12022	0.7
246.11157	0.5
273.13354	0.5
301.37271	0.5
310.13342	0.5
322.13559	0.6
360.15021	0.7
372.14215	0.7
376.16724	0.5
377.17599	1.0
385.14758	1.4
386.15347	1.2
387.16034	0.8
388.17612	1.1
389.17670	1.1
390.18579	1.4
391.18948	2.3
392.19849	2.0
397.14807	0.6
398.15869	1.0
399.16058	2.7
400.17023	3.7
401.17722	5.3
402.17911	0.8
403.19189	1.1
404.20215	0.6
405.20694	1.4
406.21472	1.3
407.22256	3.5
411.16702	0.7
413.17828	4.6
414.18634	6.4
415.19308	10.9
416.20276	2.7
417.20563	1.9
418.18140	0.6
419.22809	1.1
420.19165	0.9
424.16458	0.8
425.17703	1.2
427.19150	2.1
428.20432	4.1
429.21320	8.7
430.22031	4.1
431.18640	1.8
433.20181	0.9
434.20651	1.0
435.21774	2.0
439.19208	1.0
441.17218	2.1
442.17596	1.7
443.18408	4.0
443.22754	3.5
444.18390	4.6
444.24036	1.3
445.20203	3.6
446.20981	1.5
447.18399	1.9
455.18750	0.7
456.19376	1.9
457.20618	6.0
458.21201	5.2
459.17465	0.8
459.22275	1.2
461.19470	1.0
463.24924	0.8
468.19092	0.6
469.16644	1.1
471.22253	7.4
472.22977	6.5
473.19296	5.0
474.20609	4.1
483.17627	0.7
484.18842	1.5
485.20190	3.2
486.20377	6.3
487.21567	3.6
488.22192	1.7
489.18298	0.9
489.23654	1.0
490.19250	2.8
498.20413	0.8
499.21338	10.2
500.22366	4.8
501.19553	1.8
502.19867	1.4
503.24878	3.8
504.23938	0.7
513.18939	0.7
514.19885	0.7
516.21741	1.6
517.22241	9.2
518.22443	1.5
521.25482	1.6
527.20941	2.8
528.21631	1.2
531.23914	12.0
532.24121	2.2
543.23621	1.4
549.24963	7.7
550.25134	1.1
559.23389	100.0
560.23718	15.3
587.22864	18.1
588.23236	2.3
591.25830	3.1
592.26697	0.7
619.25500	95.2
620.25891	14.3
651.28143	30.6
652.28485	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	651.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	0.7
53.03937	2.4
55.01865	3.1
55.05504	3.0
56.60668	0.7
57.03440	3.6
59.56221	0.9
61.02922	4.9
61.19089	0.7
65.03912	0.8
67.05489	3.5
69.03432	15.4
69.07070	52.2
69.12902	6.1
70.07389	1.0
71.04995	3.2
73.02921	1.8
73.06565	7.2
79.05492	6.8
81.03432	6.8
81.07074	9.7
83.05022	1.1
83.08642	0.8
85.02905	35.5
85.06543	0.9
87.04478	1.4
91.03941	2.1
91.05478	4.3
93.07044	9.8
95.04967	2.7
95.08605	5.1
97.02903	12.0
97.06533	13.8
99.04472	1.9
105.07032	11.4
107.04956	2.5
107.08600	13.8
108.08963	1.0
109.02871	4.7
109.06516	17.7
109.10170	3.3
115.07571	18.8
117.07028	2.2
119.08586	9.1
121.06499	1.8
121.10159	6.2
123.08112	0.9
123.11679	0.7
125.05972	0.8
125.09653	1.2
127.03921	6.8
127.11173	1.3
129.07010	2.4
131.08556	6.2
133.10136	7.3
135.08058	1.0
135.11705	1.5
137.05975	4.5
141.06985	1.0
142.07739	0.9
143.08575	8.1
145.04988	4.9
145.10133	8.0
147.08055	1.6
147.11659	5.7
149.09581	1.3
149.13249	1.4
151.07518	1.2
155.08549	2.6
156.01665	0.8
157.10115	4.4
159.11690	8.2
161.09608	2.0
161.11914	1.8
161.13255	31.9
162.13562	1.4
163.11232	1.4
167.10704	13.5
169.10133	3.0
171.07941	1.3
171.11696	5.4
173.09630	1.7
173.13271	2.9
175.14812	1.2
177.09109	1.1
179.10684	1.2
181.10124	2.5
183.11678	4.0
185.13219	5.1
187.14888	1.2
189.09123	1.1
191.10548	1.0
193.10104	2.2
193.97382	0.8
195.11752	1.5
197.11638	0.9
197.13269	3.3
199.14865	2.2
201.16365	1.4
203.14284	6.2
205.12233	1.6
207.11734	1.7
208.12479	0.7
209.13272	1.1
211.14839	2.0
213.16321	1.8
215.17964	1.3
219.13754	0.9
223.14787	1.7
223.24252	0.7
224.15573	0.8
225.16409	3.1
238.13557	1.1
239.18007	6.1
241.15962	1.2
243.17566	1.6
249.16373	6.4
250.16490	0.9
250.60391	0.7
251.17874	1.4
257.15448	1.0
257.19037	1.5
267.17404	12.1
269.19095	1.4
269.22433	0.8
279.21243	2.0
285.18484	18.5
290.14249	0.8
297.22168	3.4
303.19455	1.2
315.23172	2.4
327.19376	1.5
329.21170	1.0
345.20605	100.0
346.20932	8.1
347.22128	1.0
349.18704	0.9
375.25299	7.8
393.27731	0.9
471.30823	1.8
489.32108	89.8
490.32431	11.4
615.34698	1.9
651.37372	7.7
652.36804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
66.24319	3.2
67.05501	14.7
69.03444	3.9
69.07064	6.2
69.77590	16.0
71.64010	3.6
79.05485	5.1
81.07055	15.8
89.46212	3.6
91.05477	7.5
93.07047	18.3
95.01340	7.9
95.04984	9.6
95.08624	20.8
98.23251	6.2
105.07034	23.8
107.08585	29.4
109.10123	18.1
117.07005	3.9
119.08576	27.7
121.10155	15.2
123.08049	4.6
127.86522	3.4
129.07040	4.1
131.08565	8.0
133.10153	16.0
135.11690	3.9
137.09625	4.6
141.01852	12.4
141.67102	4.1
143.08617	5.9
145.10158	13.6
147.08069	8.5
147.11693	11.0
149.09596	6.0
149.13309	4.3
151.11273	3.5
154.78220	3.5
157.10196	8.7
159.11705	14.6
161.09650	5.2
161.13264	7.4
169.10062	3.9
171.11612	5.1
173.13300	10.1
175.14856	7.6
185.13336	7.2
187.14832	10.8
189.12709	3.9
189.16454	4.2
191.14221	4.2
197.13318	4.3
201.12776	3.4
201.16425	5.4
203.14305	35.8
203.18015	3.9
205.15909	14.4
215.14250	4.5
217.15894	8.0
225.33891	3.8
229.15904	4.3
230.72459	3.6
231.17442	4.0
257.19046	3.7
409.31036	100.0
410.31204	10.2
421.31149	23.1
439.32129	87.3
440.32312	11.6
457.33008	34.5
475.34570	4.3
597.34076	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	651.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	20.2
71.30363	7.8
77.23932	6.1
79.05502	17.7
81.07068	21.8
83.04990	9.9
85.02917	7.5
86.56903	5.8
89.44960	5.6
91.05476	19.0
93.07052	25.9
95.05004	9.9
95.08621	23.4
105.07050	25.1
107.08594	23.9
109.06567	9.7
109.10162	23.3
117.07039	8.0
119.08607	23.3
121.10128	18.8
123.08073	6.7
125.06010	7.9
131.08578	16.4
133.10115	20.4
135.08102	13.5
135.11671	8.3
145.10159	17.6
146.10524	7.1
147.11728	13.9
149.09688	7.8
157.10127	10.1
159.11700	18.0
161.09673	9.4
161.13361	11.6
163.11258	7.4
173.13290	7.6
183.11731	7.0
185.13303	7.5
189.12624	8.7
195.06297	6.9
197.13196	7.0
203.14317	42.0
205.15912	12.2
216.69780	8.7
226.31390	6.5
250.12332	6.8
324.34982	6.7
362.97717	7.2
407.29333	11.3
409.31033	29.1
423.29062	58.6
435.29153	9.6
453.30084	52.4
454.30911	6.5
471.31085	100.0
472.31509	9.2
650.45404	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58601	1.7
52.43032	1.7
53.03943	3.1
55.05518	11.3
57.03437	10.2
57.07067	3.1
57.45699	1.6
61.02913	1.9
67.05502	18.8
69.03437	6.3
69.07079	14.3
69.15679	12.6
70.06600	2.7
71.04993	59.0
73.02913	5.0
75.04481	7.1
79.05494	15.5
80.00771	2.0
80.05830	1.6
81.07058	35.3
83.05000	9.7
83.08617	8.3
85.02905	85.2
85.06543	4.1
87.04476	2.2
91.05482	16.2
93.07052	32.9
95.05001	6.5
95.08606	90.0
96.08961	2.7
97.06548	4.6
97.10182	5.9
99.08054	4.2
103.05510	2.4
105.07028	40.4
105.07734	2.3
107.08594	47.4
107.09280	3.4
109.06519	5.6
109.10163	36.6
111.04457	10.1
111.08105	5.7
115.05466	3.7
117.07053	7.2
119.08578	75.5
120.08928	2.4
121.06539	5.7
121.10139	30.9
123.08101	6.9
123.11691	10.9
125.09634	13.3
129.05481	14.1
129.07018	4.9
129.10196	2.2
130.07811	3.7
131.08575	32.7
133.06519	2.0
133.10126	38.1
133.11055	3.4
135.08078	7.6
135.11688	17.4
137.05989	7.0
137.09645	7.5
137.13268	3.3
142.07851	1.8
143.08536	13.5
144.09256	2.7
145.10127	48.5
146.10522	4.0
147.06584	3.1
147.08083	10.1
147.11682	21.6
149.09625	4.7
149.13260	13.5
151.11206	5.3
155.08551	3.4
157.10100	16.7
158.10880	2.0
159.08049	2.7
159.11700	36.6
159.12985	2.7
160.12103	4.5
161.05984	2.0
161.09660	7.5
161.13255	19.8
163.11198	3.8
163.14828	12.1
169.10155	5.0
170.10968	2.4
171.11688	14.9
172.12555	2.3
173.09644	1.8
173.13263	37.9
174.13716	3.1
175.11256	2.3
175.14835	23.2
177.12802	4.2
177.16403	12.3
179.14349	3.7
183.11761	3.0
185.13261	12.7
187.14818	70.8
188.15221	4.7
189.12790	8.5
189.16402	20.5
191.14406	8.9
191.17955	4.6
193.15927	6.6
197.13304	3.7
199.14853	22.3
199.16573	3.3
201.16376	50.9
201.18135	2.9
202.16821	3.5
203.14319	100.0
203.17981	10.0
204.14705	3.7
205.15846	18.5
207.17448	2.7
211.14865	6.2
213.16394	19.9
215.14444	4.3
215.17934	17.3
217.15869	14.2
217.19550	7.3
219.13719	1.8
219.17470	15.8
221.15407	2.6
223.16954	1.8
225.16425	5.0
227.17996	7.5
229.15958	6.5
229.19669	2.9
231.17416	12.8
233.15373	5.9
233.19066	7.9
235.16960	2.5
237.16396	3.8
239.18040	5.2
241.19557	4.2
243.17531	2.2
243.20998	2.4
245.15366	3.9
245.19073	3.5
247.16986	4.4
249.14871	2.8
253.19533	3.8
255.20993	3.2
259.17172	2.5
260.51285	1.8
261.34875	2.0
265.19797	1.9
269.22842	1.9
273.18454	2.1
277.18121	4.0
279.21237	2.1
281.22534	4.8
295.24127	1.8
297.22037	3.4
299.23779	2.9
305.99451	1.7
309.22272	1.8
325.21716	3.4
327.22836	2.4
343.22644	9.7
357.24310	2.3
357.56552	2.2
363.08972	3.8
365.10672	2.6
375.30414	3.2
387.30392	4.5
389.10739	2.3
389.32260	3.2
393.31604	5.7
395.33124	3.3
403.17487	5.1
405.10120	6.2
405.31589	17.2
406.31961	3.1
407.11771	6.0
407.33191	12.8
415.30185	2.3
421.31155	6.4
423.32562	29.1
424.32715	3.7
425.34430	8.6
433.31122	11.2
439.32199	13.4
441.33597	11.5
442.34149	2.4
449.09311	3.4
451.10803	4.9
451.32050	42.9
452.32059	4.5
469.33145	40.7
470.33746	3.8
484.91266	2.5
487.34189	42.2
488.34836	2.9
565.22516	5.9
607.23572	50.2
608.23865	7.4
651.22510	76.2
652.22858	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	652.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01874	2.8
55.05515	3.4
57.03436	2.3
57.07079	29.9
62.23768	1.0
63.38025	0.9
65.03946	3.4
67.05507	14.6
69.02680	1.7
69.03081	3.9
69.03429	23.1
69.07073	7.3
71.04993	5.7
71.08632	21.6
71.09003	1.3
71.32259	1.3
76.88701	1.0
79.05502	11.3
81.03418	28.5
81.07068	14.4
83.08621	9.5
85.02903	22.0
85.10184	11.7
91.05473	9.8
93.03399	6.3
93.07045	3.0
95.04980	4.0
95.08604	20.3
97.02895	20.5
97.10178	4.2
99.04452	5.2
103.05470	5.4
105.04527	2.1
105.07040	6.3
107.08569	1.3
108.02515	1.0
109.02878	15.7
109.10145	9.5
111.11757	1.2
115.05454	17.2
116.06229	1.6
117.07035	2.6
119.08617	0.9
120.08128	1.3
121.06506	1.7
123.08040	1.0
123.11713	2.7
127.03918	23.7
127.05415	1.8
127.07544	1.9
128.06227	38.6
129.07011	36.2
130.07733	1.2
131.04945	1.2
131.08563	1.8
133.06531	2.1
137.13278	1.4
141.07007	10.4
142.07808	7.5
143.08600	7.8
145.04948	8.8
145.06462	7.7
147.08020	1.2
151.14890	1.5
152.06227	3.1
153.07007	20.1
154.07800	10.9
155.06102	7.7
155.08557	29.5
156.09250	2.5
157.06531	4.7
157.08916	0.9
157.10144	5.1
158.07246	1.5
165.06984	7.8
166.07794	4.9
169.06505	2.6
171.08061	2.7
181.10178	1.3
184.08778	1.1
199.11183	20.7
209.10847	2.0
210.11475	2.0
211.12386	1.2
217.12431	1.1
221.10741	2.0
221.22664	1.6
222.11485	0.9
223.12305	2.5
225.13820	5.6
235.08789	1.2
237.10258	1.2
237.13892	3.0
238.14761	1.5
239.15422	1.5
239.23703	21.6
246.08101	0.9
249.10307	2.4
249.13936	1.7
251.08289	1.3
251.11858	1.5
257.24854	2.5
259.13504	1.3
269.12979	1.5
277.09818	1.8
279.95529	1.0
293.09283	1.6
325.14319	1.2
337.11917	2.3
338.12970	1.4
341.80707	1.0
352.14563	1.1
366.15976	2.3
383.27917	20.5
384.28375	1.6
401.28970	19.1
402.18787	1.6
412.16635	1.7
415.15109	1.5
417.21515	1.1
429.16965	4.2
430.17752	2.4
431.18677	3.9
431.23395	1.8
433.20206	1.1
443.18887	2.3
444.19550	1.7
445.20181	4.0
446.20908	5.3
447.21799	4.2
454.17484	2.2
459.22488	4.8
460.22598	1.7
471.17987	1.9
472.18704	2.2
473.19016	1.8
473.24350	1.3
474.19656	1.3
475.21024	3.1
486.20764	1.3
487.21387	12.7
488.22119	1.3
501.23004	6.2
503.20731	1.3
504.21805	1.3
515.20648	3.7
519.23669	3.5
529.22028	3.3
531.19946	1.6
533.25592	5.2
534.22162	2.3
547.22864	2.7
560.22742	1.3
561.24951	100.0
589.24475	10.7
592.15698	1.5
603.21899	1.1
621.27032	84.3
653.28510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1711
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03946	0.3
54.03543	0.1
54.33370	0.1
55.01873	0.2
55.05495	0.2
57.03419	0.2
60.40832	0.1
61.02908	0.2
67.01867	0.3
67.05489	0.3
68.79638	0.1
68.99790	0.4
69.03425	0.7
69.07057	0.4
69.73239	0.5
70.06557	0.1
71.04998	0.2
73.02893	0.2
77.84877	0.1
79.05482	0.3
81.03422	0.5
81.07056	0.8
83.04979	0.3
83.08614	0.1
85.02905	1.2
85.06538	0.1
87.04449	0.1
89.03917	0.2
91.05473	0.3
93.07046	0.5
94.07397	0.1
95.01325	0.1
95.04970	0.3
95.08601	0.7
97.02886	0.6
97.06538	0.3
98.06926	0.1
99.04446	0.4
100.11261	0.1
105.01861	0.1
105.07018	0.4
107.04926	0.1
107.08595	0.4
108.05315	0.1
109.02879	0.9
109.06507	0.1
109.10149	0.2
111.00811	0.3
115.03957	0.1
117.03357	0.2
117.06988	0.2
119.08583	0.5
121.06502	0.3
121.10143	0.3
122.73974	0.1
123.08056	0.1
123.11728	0.2
124.46956	0.1
125.06001	0.2
125.09682	0.1
127.03908	1.0
131.08562	0.3
133.04921	0.1
133.10126	0.3
135.04420	1.4
135.08105	0.2
137.02350	0.5
137.05946	0.3
145.04942	0.4
145.10114	0.2
147.08038	0.1
147.11708	0.4
149.13275	0.2
153.01820	4.4
154.02173	0.1
157.06560	0.1
157.10086	0.1
159.11649	0.3
161.02306	0.7
161.05882	0.1
161.13237	0.1
165.12828	0.1
167.07043	0.2
171.02901	0.6
173.13252	0.1
175.11261	0.1
175.14928	0.1
177.05519	0.1
179.03424	0.3
181.04965	0.2
182.15451	0.1
185.05838	0.1
187.05974	0.2
187.14835	0.2
189.12799	0.1
190.12971	0.1
193.12253	0.2
194.12616	0.2
199.11244	0.1
199.14868	0.1
203.14470	0.2
205.07074	0.2
210.14815	0.2
211.13220	0.1
213.05498	0.2
217.12308	0.3
219.06381	0.1
233.08606	0.1
235.13283	0.2
236.13576	0.2
241.05003	0.5
245.04515	0.2
253.14340	0.2
269.04425	0.3
270.33105	0.1
287.05484	100.0
287.75839	0.1
288.05811	5.7
325.23804	0.1
353.15979	0.1
379.35355	0.1
455.31418	0.3
473.10812	0.1
485.32669	0.3
491.11844	1.7
492.12238	0.2
503.33423	0.2
567.18256	0.1
568.18860	0.3
586.20361	0.2
653.15649	0.1
653.48962	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	653.1709
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03912	0.6
53.11882	0.2
55.01843	0.6
55.05492	0.3
57.03426	0.4
61.02900	0.2
62.32005	0.2
67.01846	0.5
67.05470	0.6
68.99787	0.2
69.03432	2.4
69.07034	0.5
70.06554	0.2
70.53360	0.5
71.04955	0.5
73.02891	0.4
79.05457	0.6
81.03416	2.1
81.07040	0.8
83.01346	0.2
83.04933	0.7
85.02913	2.6
85.06507	0.3
87.04433	0.2
91.05431	0.7
93.07002	0.7
95.04941	0.7
95.08577	0.6
97.02890	1.5
97.06528	0.4
99.04408	0.7
103.05481	0.3
105.06989	0.7
107.04916	0.2
107.08548	0.5
109.02866	1.8
109.06477	0.3
109.10158	0.2
111.00779	0.2
111.04471	0.2
111.08061	0.2
116.05604	0.2
117.03265	0.2
117.06959	0.3
119.08563	0.8
121.06483	0.6
121.10091	0.5
123.08056	0.2
127.03909	1.9
129.01845	0.2
129.07050	0.2
131.08543	0.3
133.06491	0.2
133.10110	0.4
135.04398	1.5
135.08025	0.3
137.02322	0.4
137.05931	0.4
137.09573	0.2
143.08498	0.2
145.04953	0.5
145.06459	0.5
145.10101	0.3
147.07985	0.2
147.11636	0.5
149.13239	0.2
151.03903	0.2
153.01817	5.0
157.10097	0.2
157.62436	0.2
159.07997	0.2
161.02290	0.3
161.09572	0.2
163.11082	0.2
165.12805	0.2
166.08530	0.2
167.07033	2.5
171.02901	0.4
172.31592	0.2
173.05959	0.7
173.09705	0.2
175.11166	0.5
176.47972	0.2
181.05005	0.9
181.06267	0.2
187.05984	0.9
189.12703	0.3
193.12163	0.4
205.08557	0.2
205.12137	0.2
207.08437	0.2
211.13228	0.2
214.98804	0.2
217.12274	0.2
233.08060	0.3
234.12602	0.2
235.09608	0.3
235.13571	0.2
237.05452	0.2
241.05078	0.3
258.04880	0.2
265.04944	0.5
269.04440	0.4
281.07877	0.2
286.04684	0.5
287.05484	100.0
288.02722	0.3
288.05829	5.0
311.05469	1.7
325.23758	0.3
355.12085	0.2
396.17783	0.2
417.15356	0.4
433.08997	0.3
449.10284	0.8
491.11835	33.6
492.12195	2.7
653.16046	0.7
653.26038	1.0
654.25952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1709
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03917	0.2
55.01840	0.2
55.05478	0.2
67.01830	0.3
67.05487	0.2
68.99763	0.2
69.03388	0.4
69.07034	0.1
69.62236	0.4
71.04950	0.1
71.05470	0.1
75.09279	0.1
79.05442	0.3
81.03387	0.3
81.07034	0.2
83.04950	0.2
85.02903	0.6
85.95398	0.1
89.05984	0.3
91.05439	0.3
93.06996	0.3
95.04952	0.1
95.08577	0.2
97.02837	0.3
97.06505	0.1
98.22688	0.1
102.18991	0.1
103.05395	0.1
105.06991	0.2
106.39357	0.1
107.04914	0.2
107.08569	0.2
109.02845	0.3
111.00764	0.1
111.08019	0.1
115.05418	0.2
117.07000	0.2
119.08579	0.2
121.06481	0.2
123.04443	0.2
127.03879	0.3
129.01834	0.1
133.06450	0.1
133.08620	0.2
135.04393	0.7
136.37469	0.1
137.02304	0.4
137.05911	0.1
145.04976	0.1
145.06464	0.3
147.08040	0.1
147.11690	0.2
149.02356	0.2
153.01822	3.8
161.02299	0.4
167.07042	2.2
169.64665	0.1
171.02844	0.3
173.05928	0.5
175.11162	0.1
179.03391	0.2
181.04985	1.0
182.77223	0.1
186.10251	0.1
187.05966	0.1
194.12631	0.1
205.08533	0.2
216.97862	0.1
219.06531	0.2
229.28313	0.1
233.07948	0.2
235.09592	0.2
241.04907	0.4
256.20078	0.1
259.06213	0.2
263.05527	0.1
269.04462	0.2
272.64581	0.1
286.04648	0.1
287.05475	100.0
288.05820	5.7
341.13873	0.2
355.11804	0.1
372.11871	0.1
387.14508	0.3
417.15643	0.3
449.10776	13.7
450.11041	1.1
461.18097	0.3
491.11951	2.9
491.18881	0.2
492.12140	0.3
617.08215	0.1
635.17816	0.2
653.15558	1.7
653.25635	0.6
654.17432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1707
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03921	0.1
55.01854	0.2
55.05486	0.1
57.03410	0.3
61.02900	0.1
65.03925	0.1
67.01836	0.4
67.05476	0.2
68.99779	0.3
69.03425	0.5
69.03729	0.1
69.07027	0.1
69.45519	0.5
70.06565	0.2
71.04967	0.2
73.02856	0.1
75.03651	0.1
78.04688	0.1
79.05482	0.3
81.03449	0.4
81.07021	0.3
85.02918	0.7
87.04420	0.2
89.05994	0.3
91.05457	0.3
93.07007	0.2
95.04957	0.2
95.08574	0.2
97.02856	0.3
97.06522	0.2
98.23457	0.1
99.04403	0.1
105.07014	0.1
107.04931	0.3
107.08568	0.1
109.02835	0.2
109.10133	0.2
111.04421	0.1
111.08096	0.1
115.05414	0.2
117.06981	0.3
119.04951	0.1
119.08560	0.1
121.06509	0.1
121.10104	0.2
123.04428	0.2
123.08005	0.1
125.06033	0.1
127.03915	0.3
129.01816	0.1
129.07031	0.1
133.10129	0.1
135.04445	0.9
137.02293	0.4
137.05937	0.3
145.06471	0.6
145.10120	0.1
147.11580	0.1
149.02324	0.2
151.07500	0.1
153.01828	3.4
153.05379	0.1
153.39522	0.1
155.06032	0.2
161.02336	0.6
161.05962	0.2
167.07039	3.1
171.02875	0.4
173.05980	0.8
179.03372	0.3
181.04947	1.1
187.05997	0.1
187.07541	0.1
189.05411	0.1
191.07010	0.2
205.08548	0.2
233.08076	0.2
235.09706	0.2
238.15897	0.1
241.04965	0.4
259.06201	0.1
269.04446	0.3
272.74393	0.1
287.05487	100.0
288.05820	5.5
341.13959	0.2
355.11899	0.2
387.14453	0.6
417.15317	0.2
449.10782	13.9
450.11038	0.9
461.18240	0.4
473.18604	0.1
491.11929	2.8
491.19016	0.4
492.12039	0.2
548.50006	0.1
570.88977	0.1
653.17169	1.3
653.25067	1.0
654.16376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.6
67.05501	4.7
69.07070	3.0
71.31264	1.7
79.05503	4.6
81.07067	4.6
83.70803	1.3
91.05485	2.0
93.07063	3.9
95.08611	4.1
96.46766	1.4
100.65743	1.5
105.07085	1.7
107.08593	1.6
109.10127	2.0
119.08569	1.7
123.67346	1.5
133.10170	2.2
135.11688	2.2
145.10095	1.7
168.88557	1.6
173.13432	1.5
183.09137	1.5
213.14433	1.5
249.10182	2.1
263.12134	1.9
290.30115	1.5
312.15067	1.7
326.12802	1.9
335.25751	1.7
336.14926	1.9
340.14584	2.1
352.14362	1.7
363.16605	2.5
375.15576	2.0
376.16632	2.0
377.17633	6.9
378.18317	4.2
389.17761	3.0
390.18597	3.5
391.19150	12.1
392.19943	6.6
393.20819	5.8
401.17856	2.2
403.19592	2.6
404.20349	2.5
405.21039	9.5
406.21884	3.2
407.22253	14.1
417.16388	2.2
417.21332	2.1
419.18268	2.6
419.23016	2.9
420.23404	2.8
421.20465	7.8
430.17792	3.1
431.18329	3.2
432.19748	2.2
433.19977	4.4
435.22055	16.3
436.22372	4.1
437.19910	2.4
445.20291	3.0
447.22232	8.1
448.22452	2.3
449.19305	2.2
451.21570	8.0
459.18073	5.0
461.19171	2.3
461.24219	2.7
462.24222	2.4
463.26868	7.2
465.18814	11.1
466.19873	5.2
473.19922	4.3
474.20563	2.4
475.21484	3.0
477.19083	1.9
479.20779	24.3
480.21347	5.9
487.21103	3.2
489.18005	1.8
489.23517	2.9
493.26297	2.0
501.19232	6.5
502.19574	3.7
502.35599	1.7
505.18869	5.4
506.19162	2.4
507.24316	2.0
515.20850	7.8
516.21484	5.3
517.22345	28.2
518.22729	5.9
521.25830	7.7
522.26263	4.6
523.23248	2.7
533.21570	2.2
537.24670	5.5
547.22943	4.4
549.24963	42.3
550.25464	5.4
551.23029	13.1
561.24756	1.7
565.24066	8.0
566.25220	41.4
567.25391	5.6
575.23041	13.4
576.22968	3.2
593.23834	23.1
594.24359	5.9
607.25366	7.9
609.27002	14.5
617.24036	1.7
621.26605	5.0
625.26617	5.2
635.25018	100.0
636.25354	20.6
653.26068	74.3
653.40057	5.8
654.26263	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	653.2605
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
51.81417	0.6
52.09924	0.5
61.69273	0.5
88.71454	0.5
95.08678	0.7
105.07036	0.7
110.31406	0.7
118.29881	0.6
139.05006	0.9
148.49744	0.6
204.06694	0.6
225.10287	1.2
251.11800	0.7
266.24728	0.6
316.62872	0.6
356.14432	0.6
392.16483	1.0
393.17123	1.0
405.17276	1.2
406.18124	0.8
407.18933	3.6
408.19516	1.1
410.79532	0.7
417.17163	1.4
418.18243	1.3
419.18973	1.2
420.20053	0.9
421.16702	2.0
431.14786	1.2
433.21182	2.7
434.17465	1.7
435.18137	6.7
436.18918	1.7
445.16660	2.5
446.17383	1.9
447.18512	1.5
448.18527	0.8
449.15457	1.8
449.20499	1.3
450.20801	3.4
451.20880	0.8
459.18204	1.8
460.18674	1.4
461.20285	3.1
462.16913	0.7
463.17444	5.6
464.18466	2.6
473.16190	1.2
475.17307	0.9
477.19467	3.3
478.20087	3.3
479.20358	1.3
488.18613	1.4
489.19244	1.9
491.17603	2.5
492.17584	1.3
504.20667	0.7
509.21854	1.1
519.20270	1.4
521.21649	1.5
531.55402	0.6
537.24548	1.2
547.23535	5.4
548.22693	1.3
549.21436	3.5
550.22089	1.9
551.20294	1.0
561.21649	0.9
564.24011	0.9
565.24390	1.9
566.24579	0.9
575.23370	3.8
576.23157	1.3
578.21515	2.7
579.22266	2.5
593.23834	12.9
594.24713	1.6
607.25488	2.7
608.24841	0.7
609.23523	1.6
621.24792	2.0
622.26471	0.7
625.26422	1.6
635.24756	7.2
636.24670	1.0
638.23706	4.5
653.26050	100.0
654.26331	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	653.2603
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
57.17789	0.5
67.05517	0.8
71.30784	0.8
71.31190	0.6
80.46297	0.6
107.08630	0.8
113.14671	0.5
140.63823	0.6
153.27234	0.5
160.07649	0.7
183.09169	0.6
204.06618	1.1
223.08636	0.6
225.10294	1.3
237.10295	0.7
239.11880	1.2
249.10222	1.4
251.08235	0.6
253.09814	0.6
314.82593	0.6
326.12967	0.7
356.14355	0.7
368.14066	0.9
369.10007	0.5
379.19470	0.6
389.13837	0.7
391.15436	1.1
392.16489	1.0
393.17062	1.7
394.17505	0.8
403.15613	1.5
404.16306	0.7
405.17227	1.8
407.19022	3.8
408.19217	0.9
415.15378	0.9
416.16461	0.9
417.17401	2.6
418.18057	1.7
419.19315	2.9
420.15588	1.0
421.16608	2.3
421.21115	1.0
422.16537	0.7
422.21609	0.9
423.21622	0.6
431.14725	1.5
431.19559	0.8
432.19870	1.2
433.20676	5.7
434.17413	1.8
435.18192	7.8
436.18643	2.7
444.16153	0.9
445.15964	4.6
446.17297	2.3
447.18204	3.6
448.18976	1.2
449.15802	2.1
449.20239	2.1
450.20886	2.6
451.21570	0.9
459.18326	2.9
460.18781	2.5
461.19894	6.9
462.20151	1.8
463.17331	7.2
464.18228	4.4
465.19025	0.8
473.15863	1.0
473.20187	0.7
476.19284	0.7
477.19226	4.4
478.20044	5.5
479.20453	1.8
488.18784	2.0
489.19183	2.9
490.20047	1.0
491.17563	4.1
492.17691	3.2
493.23322	0.8
505.18930	1.1
507.19986	1.2
519.19629	2.7
521.21655	2.2
522.22656	0.8
532.21478	1.0
533.21332	1.1
535.21204	0.7
537.25012	1.7
547.23383	11.8
548.23889	1.2
549.21423	4.6
550.22040	3.1
551.20245	0.8
560.20605	0.7
561.21375	0.9
564.24042	0.9
565.24506	2.8
575.22723	6.7
576.22998	1.3
578.21777	3.3
579.22308	2.4
581.24329	0.7
593.23938	17.7
593.33453	0.9
594.24323	2.4
603.22491	0.7
607.25543	8.7
608.25452	1.9
610.24048	0.9
621.23596	2.2
624.25220	1.3
625.26642	1.7
635.24982	38.4
636.25189	7.1
638.23712	5.6
639.24249	0.7
653.26025	100.0
654.26300	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	653.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.7
71.31661	4.7
79.05518	2.3
93.07081	3.5
95.08626	2.7
104.60690	2.3
113.08448	2.5
120.08108	4.1
160.79308	2.3
178.12312	2.1
204.75883	2.7
225.13853	2.5
330.12253	2.5
406.21851	3.2
443.19086	3.3
458.21021	7.0
459.21838	5.1
477.22968	6.9
485.24054	2.8
491.20456	5.9
501.23682	2.7
519.23792	8.1
529.22528	3.8
537.25421	3.4
544.24921	4.5
551.26355	10.4
560.23859	3.0
561.25043	2.9
566.28748	5.8
575.26111	13.2
603.26599	3.3
621.27295	5.6
635.28613	70.0
636.28894	8.6
653.29602	100.0
654.30151	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	653.2969
Annotation	Haplophytine
Peak:m/z	Relative Intensity
53.43943	0.4
54.35845	0.5
57.07068	0.7
65.09868	0.4
67.05516	0.6
69.07073	0.6
69.29449	2.0
69.29877	1.5
80.03539	0.5
81.07072	0.9
83.08649	0.4
91.05446	0.5
93.07061	0.7
95.08619	1.3
98.23339	0.7
102.65548	0.5
105.07041	0.7
107.08543	0.6
109.10152	0.6
119.08614	0.5
122.70679	0.5
128.23347	0.4
133.10074	0.6
136.04285	0.5
153.64537	0.5
206.36127	0.5
237.13770	0.5
239.34604	0.5
300.35361	0.5
376.17136	0.8
377.17746	1.9
389.18555	0.6
390.18433	1.6
391.19199	6.4
392.19675	2.3
393.21387	0.7
403.19739	1.1
404.20187	1.7
405.20798	9.7
406.21487	8.3
407.22354	1.1
418.21875	1.1
419.22531	3.2
420.23010	5.9
421.17746	0.7
421.23901	13.3
422.24338	1.3
431.18390	0.9
433.19315	3.3
434.24667	1.6
435.18204	1.2
436.18683	2.6
437.19589	0.5
445.20419	2.2
446.21030	0.6
447.21271	1.2
448.22394	0.7
449.19855	1.5
450.20364	3.0
451.21277	1.5
452.22321	2.1
458.16891	0.5
460.22867	2.2
461.23938	0.8
463.21756	0.8
464.22177	1.3
465.22870	36.8
466.23312	4.3
473.19162	2.4
474.20184	0.6
475.25430	1.0
477.23029	1.0
478.24039	0.7
479.24420	7.0
480.24985	4.0
481.25549	0.7
487.21368	1.8
488.22104	4.4
489.22543	1.0
491.20883	1.5
492.21484	1.4
501.23114	1.1
503.24457	40.0
504.24683	4.4
505.22086	0.6
507.27554	2.5
533.25067	0.6
535.27063	34.3
536.27332	4.5
551.26715	4.2
552.26501	0.7
561.24945	2.7
562.25500	1.1
566.29144	1.3
579.26019	34.2
580.26392	3.9
593.27765	2.2
594.28363	17.9
595.28333	3.0
621.27063	20.3
622.27130	3.6
653.29675	100.0
654.30042	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.7
67.05511	2.1
69.14938	12.0
70.31722	1.2
79.49584	1.4
81.07064	1.6
91.41312	1.2
93.06966	1.2
95.08608	2.3
118.53236	1.2
136.11580	1.3
139.00739	1.7
143.60376	1.4
208.86446	1.6
209.10681	1.6
210.11469	1.3
221.10670	1.6
222.11502	1.4
223.12424	2.0
224.12985	2.2
225.13838	5.6
226.14819	2.0
237.13916	3.5
240.50084	1.3
249.10176	2.7
340.10422	1.6
352.14343	2.0
366.65744	1.4
385.15427	1.5
403.19540	1.5
416.16504	1.9
429.17221	2.4
430.18091	3.2
431.18582	4.7
443.18628	2.6
444.19571	2.8
445.20233	5.1
446.20697	4.3
447.21616	4.7
459.21878	6.9
460.22504	2.7
474.19998	2.1
475.21414	2.8
487.21417	12.8
488.21701	1.9
501.22345	5.1
502.23193	2.3
503.20175	2.0
515.21033	2.2
519.23779	4.7
529.22198	5.0
531.19904	1.9
533.25244	4.4
534.22180	1.8
547.22852	3.6
561.24957	78.3
562.25195	12.7
589.24243	6.4
621.27069	100.0
622.27484	16.3
653.43939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
55.93139	0.8
57.07083	5.3
67.05505	2.4
69.01189	0.9
69.01511	10.2
69.07088	1.1
71.08630	2.7
79.05463	1.8
80.24108	1.0
81.03410	4.0
81.07044	3.0
83.08599	1.2
85.02892	5.5
85.10175	1.6
91.05486	2.5
95.08599	3.7
97.02872	5.1
106.62998	1.0
109.02876	2.9
109.10194	1.7
115.05437	2.7
127.03910	4.8
128.06215	7.0
129.06967	4.5
130.07294	1.4
141.06964	2.6
143.08484	1.4
145.05008	1.1
153.06975	2.7
154.07764	1.7
155.08560	5.6
156.09084	1.9
157.10164	1.4
158.40169	1.3
165.06969	1.3
168.04448	1.0
196.09883	1.6
199.11145	3.6
200.11554	1.3
204.06508	1.0
207.08865	1.1
209.10738	2.1
210.11478	2.0
211.12415	1.4
220.09969	1.2
221.10767	1.2
223.12352	1.7
225.13835	3.8
237.13840	2.8
239.23769	3.8
249.10381	1.2
249.13727	2.1
255.61382	1.1
259.42245	1.1
277.09717	1.6
293.92770	1.0
323.46918	1.1
337.11938	2.1
338.12555	1.9
352.14355	1.2
366.16034	1.5
383.27917	4.8
384.28378	2.7
387.16434	1.4
388.16434	1.3
394.15265	1.4
401.17892	1.4
401.29050	2.1
402.18466	1.8
402.29361	1.9
403.19366	1.1
416.15976	1.5
417.16302	1.8
417.21106	2.2
419.18628	1.1
428.16614	1.0
429.16965	2.8
430.17792	2.9
431.18661	3.9
443.18625	3.0
444.19336	2.7
445.20197	4.6
446.20908	2.2
447.21802	2.6
454.17245	1.8
459.22260	5.1
460.22253	1.9
472.18597	1.4
473.18915	2.1
474.25085	1.2
475.21124	4.0
487.21326	9.7
488.22128	1.8
501.22403	3.0
502.22681	1.1
503.20584	2.3
515.20422	3.2
519.23840	2.3
529.22290	2.7
531.50958	1.1
532.20398	1.1
533.25098	4.3
534.22607	1.5
547.23151	2.6
561.24963	100.0
562.25372	14.2
589.24231	9.7
590.24591	2.0
621.27057	87.9
622.27252	12.4
653.43207	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
63.38408	0.6
67.05498	1.0
69.07062	0.9
69.11848	1.6
69.12264	3.3
81.07065	0.8
93.07022	0.8
93.19901	0.6
95.08600	1.2
98.68745	0.6
99.02690	0.7
105.07034	0.9
107.08552	0.6
121.10159	0.6
135.11722	0.7
145.47015	0.6
165.44543	0.6
197.10696	0.6
208.09908	0.6
209.10799	1.3
212.40678	0.6
220.10239	0.6
221.10693	1.2
223.08698	0.6
223.12280	1.3
249.13849	0.8
251.08395	0.6
257.05002	0.6
284.11707	0.7
295.14435	0.9
311.14185	0.9
312.14896	0.9
313.15707	0.9
314.16653	0.8
322.06750	0.6
322.13339	0.6
324.14975	0.7
326.16644	0.9
328.18146	0.7
337.11502	0.7
340.18030	0.9
356.13589	0.8
375.16251	1.1
377.18222	0.7
384.17316	1.2
386.18936	0.9
387.16245	0.8
388.17957	1.0
389.17291	3.5
390.18356	4.0
391.19162	2.9
392.19919	1.6
395.61731	0.6
398.18610	1.3
400.20447	0.8
401.17847	1.0
402.18347	0.9
403.19211	5.0
404.19986	6.2
405.20743	21.7
406.21274	2.5
416.20200	1.3
417.21097	4.6
418.22049	3.7
419.22324	15.7
420.19226	0.6
420.23239	6.3
421.23782	1.6
429.16562	0.8
431.22369	2.7
432.22992	2.3
433.18396	1.1
433.23889	9.6
434.18390	1.0
434.24692	5.9
435.17999	3.5
442.21732	1.0
444.19556	1.1
445.19720	2.0
446.25140	0.9
447.21216	6.5
448.19409	0.8
448.26538	1.3
449.19571	11.5
450.20221	4.9
451.21402	0.9
457.16449	0.8
459.21741	2.0
460.22571	1.2
461.19443	0.8
462.20493	1.9
463.21222	9.0
464.22015	7.1
465.22748	4.2
472.19110	2.0
473.19458	1.9
475.20563	3.8
476.22333	1.3
477.23099	7.4
478.23660	5.9
479.24414	51.2
480.24597	6.4
486.20145	1.2
487.21368	7.2
488.22037	1.3
489.23602	1.1
491.20581	3.1
491.24588	3.6
492.25754	3.5
493.26093	2.9
501.22900	6.5
502.23508	3.6
503.24680	0.7
505.21860	1.0
505.26688	1.2
506.27286	1.3
507.27563	29.7
508.27725	3.6
519.24060	4.0
520.02704	0.8
520.24707	1.2
521.21985	1.2
531.20306	0.7
533.25641	8.4
534.26074	1.6
535.24121	0.7
536.24817	1.3
537.24921	17.7
538.25488	2.2
539.26697	1.7
550.25934	1.4
551.26508	46.3
552.26953	7.5
561.24982	10.1
562.25665	2.3
563.22876	1.6
565.28113	27.1
566.28870	100.0
567.29218	16.5
567.37292	1.2
575.27582	0.8
578.25275	1.3
593.27563	13.3
594.28040	1.8
621.27112	20.0
622.27643	1.8
635.28851	4.0
638.27100	0.9
653.29669	99.6
654.30042	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	653.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07085	1.0
69.33219	5.8
78.45232	0.8
79.05512	0.8
83.04988	1.0
83.08643	0.9
84.96988	0.8
147.11679	1.3
158.46649	0.9
172.03944	0.9
182.09679	1.1
195.09174	1.2
196.09958	1.5
197.10849	1.1
209.10818	2.3
210.11507	2.4
211.12369	1.5
212.13107	1.0
221.10780	2.6
222.11404	1.1
223.08815	1.1
223.12350	2.8
224.13081	1.7
225.13864	3.8
226.14615	1.8
233.11034	0.8
235.08701	1.6
235.12329	0.9
237.10158	1.6
237.13908	3.4
239.15570	1.4
249.10242	1.3
249.13954	1.8
251.08217	1.1
251.11734	0.8
275.08441	0.8
277.09723	1.7
309.12552	0.9
326.12689	1.0
337.02396	1.5
338.12631	1.0
352.14484	0.9
366.15973	1.6
374.30896	1.0
382.15625	1.6
388.15860	0.9
401.17746	1.9
403.19223	1.2
414.14450	1.0
415.15021	1.2
417.21320	1.3
429.16882	4.1
430.17627	1.5
431.18500	2.8
431.23196	1.5
436.12115	1.0
443.18927	1.4
444.19388	1.9
445.20187	3.6
446.20923	3.2
447.21802	4.2
454.17496	2.3
457.16510	1.1
458.21750	1.0
459.22507	5.1
460.22571	2.5
471.18280	1.2
472.18945	2.0
473.18866	1.6
475.21280	2.8
487.21405	12.0
488.22101	1.6
501.23209	5.2
502.23792	0.9
504.21011	1.1
506.23138	0.9
515.20520	3.1
518.22980	1.3
519.23932	2.9
529.21985	3.5
533.25232	3.7
534.22552	2.6
546.23615	0.9
547.23151	2.6
561.24988	100.0
562.25189	15.6
581.24304	2.0
589.24597	9.7
621.27051	94.0
622.27490	14.8
637.30505	4.7
684.23529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48762	0.8
58.53106	0.8
71.33415	0.9
109.05849	0.8
118.06556	1.3
120.08105	1.3
130.33588	0.8
158.09741	1.0
195.09204	1.3
195.83415	0.9
196.09961	1.0
197.10858	1.8
207.09181	0.9
208.09840	1.1
209.10767	3.2
210.11555	2.5
211.12209	1.1
221.10652	2.5
222.11559	1.8
223.12318	3.7
224.13130	2.4
225.13927	5.3
226.14555	1.6
235.08656	1.0
235.12311	2.0
237.10216	1.8
237.13815	3.2
249.10249	2.9
249.13925	2.2
251.08191	1.7
263.08337	1.1
263.11771	1.0
275.15454	1.3
277.09665	1.3
326.13104	1.2
337.11838	3.3
342.16110	1.4
352.14285	2.0
354.15979	1.4
366.15939	1.7
387.15970	0.9
389.17575	1.0
396.13211	1.3
400.17694	1.4
401.17926	1.6
402.18289	2.2
403.19437	1.3
415.15289	1.3
417.16226	1.7
417.21085	1.7
426.18063	1.2
429.17322	3.0
430.17770	2.8
431.18439	3.7
431.23218	1.8
432.18600	1.0
443.18646	3.0
444.19479	2.5
445.20267	5.4
446.20804	5.1
447.21622	4.7
454.17520	2.9
457.15912	1.2
458.21396	1.5
459.22552	6.7
460.22159	2.6
461.23508	1.3
471.18408	1.8
472.18832	1.5
473.18683	1.1
473.24094	1.5
474.20511	3.1
475.20901	4.3
485.23291	1.2
487.21451	12.5
488.21832	2.8
489.22537	1.4
501.23248	4.3
502.23807	1.7
515.20715	2.8
518.22760	1.5
519.24127	4.8
529.22333	5.0
531.20148	2.0
533.25745	5.1
534.23383	1.5
535.23468	1.7
547.23474	3.1
561.24994	100.0
562.25299	15.0
589.24554	9.4
590.24200	1.6
593.27338	1.2
621.27057	79.9
622.27472	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
57.07066	0.7
58.87096	0.6
67.05457	0.8
71.08588	0.9
71.82280	0.6
79.05461	1.4
81.03407	1.3
81.07024	1.4
83.08560	0.9
85.02886	0.8
85.10174	0.8
91.05471	1.1
93.07049	0.7
95.08565	1.3
97.02873	0.8
105.07022	1.0
107.08595	0.8
109.40854	0.7
115.05475	0.8
115.26183	0.7
120.08114	1.1
127.03881	1.2
128.06204	1.8
129.06981	1.0
131.08504	1.0
146.05994	0.9
153.06941	1.1
172.03842	0.8
183.09149	0.7
194.08179	0.9
194.55124	0.6
195.09006	1.3
196.09877	1.5
197.10770	1.7
199.08609	0.7
199.11200	1.1
204.06616	0.9
207.09064	0.8
208.09964	0.8
209.10664	2.3
210.11493	2.2
211.12193	1.0
220.09886	0.9
221.10745	2.4
222.11382	1.5
223.08707	1.4
223.12265	3.4
224.13029	1.3
225.13852	5.9
226.14565	1.7
229.13725	0.8
233.10703	0.9
234.11510	1.2
235.08606	1.1
235.12384	1.5
237.10248	1.4
237.13806	3.8
238.14635	1.5
239.15405	1.2
239.23875	0.7
247.08546	0.9
247.12349	0.8
249.10246	2.8
249.13934	2.4
250.10905	0.7
251.08125	2.1
251.11780	1.4
263.08130	0.8
265.13278	0.8
273.13901	1.0
275.07983	1.4
277.09659	2.3
295.95215	0.9
311.13870	1.0
314.12802	0.9
324.11322	0.9
325.12128	0.9
326.12927	0.8
328.14450	0.8
337.11749	3.1
338.12985	1.2
339.13913	1.2
340.14734	0.8
350.13120	1.1
351.13516	1.1
352.14606	1.0
354.12146	1.1
354.16006	0.9
356.13980	1.1
366.16251	1.4
368.13986	1.4
379.13083	0.8
380.13959	1.3
384.14120	1.0
387.16006	1.7
389.17841	0.8
396.13257	1.4
399.16125	0.9
401.17798	1.9
401.29077	0.8
402.18890	1.5
403.15295	1.1
410.15512	0.9
413.17282	0.8
414.14648	1.3
415.15237	1.5
416.15994	1.4
416.20822	1.3
417.16739	1.6
417.21405	1.3
419.22424	0.9
426.18356	1.0
428.16309	1.0
429.17133	3.5
430.18082	1.4
431.18015	4.9
432.18964	1.2
443.18958	3.3
444.19431	2.6
445.20334	4.9
446.21008	5.1
447.21976	4.3
448.22238	1.2
454.17636	2.4
455.18323	0.8
456.15686	0.8
457.16068	1.1
458.21805	1.8
459.22601	6.3
460.22589	1.9
471.18356	2.2
472.18951	2.8
473.18759	1.5
473.24261	1.4
474.20224	1.9
475.21121	3.4
485.19775	0.8
487.21497	13.2
488.22232	4.0
501.23398	4.7
503.20880	2.1
515.20721	3.9
517.22595	1.0
519.24323	4.3
520.24268	0.8
529.22363	4.5
531.20374	2.4
533.25940	5.4
534.22906	2.2
547.23547	3.2
561.25000	100.0
562.25317	13.7
589.24561	10.1
590.25140	1.3
593.27161	1.1
603.22583	3.7
621.27094	91.9
622.27338	13.3
653.28131	1.9
653.40076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01863	2.4
55.05505	7.1
57.03428	4.9
57.07082	4.1
61.02942	2.3
61.60420	1.4
67.05508	16.8
69.03438	10.9
69.07067	14.9
70.06605	2.5
71.04999	2.2
73.02921	10.3
79.05511	10.4
81.03412	2.4
81.07059	30.7
83.04970	2.7
83.08613	7.2
84.45733	1.6
85.02910	15.6
85.06554	1.8
91.05486	17.1
93.07050	29.3
95.04980	13.3
95.08608	65.9
96.08934	1.6
97.02887	5.7
97.06530	4.6
97.10165	2.9
98.43209	1.8
99.04444	2.7
99.08107	1.8
103.05503	2.0
105.07030	30.9
106.07379	1.8
107.08603	28.0
108.08965	2.1
109.02843	1.6
109.06527	5.2
109.10158	24.5
109.92133	1.4
111.08064	3.3
111.11703	3.7
115.03943	1.9
115.05477	2.0
117.07012	4.7
119.08584	57.0
120.08943	3.1
121.06512	5.2
121.10151	18.8
123.08052	7.9
123.11710	8.4
127.03902	4.0
128.06181	1.5
129.07025	7.4
131.04932	2.6
131.08575	19.6
131.77727	1.6
133.06543	2.0
133.10138	23.7
135.08092	8.6
135.11697	9.6
136.07518	1.8
137.06000	5.5
137.09630	4.2
137.13313	2.5
142.07755	2.2
143.08591	13.1
145.04980	4.0
145.06381	1.9
145.10129	35.6
147.08080	5.5
147.11679	13.9
149.01430	1.7
149.09673	4.1
149.13289	10.6
151.07512	2.6
151.14784	1.8
153.09143	2.6
155.08557	4.4
156.09335	4.5
157.10118	17.4
159.08194	2.4
159.11694	20.8
161.09647	6.0
161.13293	17.5
163.06003	2.1
163.07445	1.9
163.11214	2.0
163.14842	5.6
167.07051	4.6
167.08516	2.2
169.10121	6.9
170.10860	2.8
171.11693	12.7
172.12404	2.1
173.09621	3.3
173.13263	13.5
175.11110	3.1
175.14830	15.2
177.12822	3.7
177.16394	5.3
179.14311	3.4
181.04942	1.9
181.10182	2.6
183.11699	5.4
185.13292	12.0
186.13640	1.7
187.11282	4.0
187.14825	47.3
188.15179	3.7
189.12753	6.8
189.16396	11.0
191.14320	4.0
195.11687	2.8
197.13274	6.4
199.14839	15.9
201.16380	13.8
202.16661	2.2
203.14339	36.9
203.17905	2.6
205.04747	4.1
205.15912	10.9
207.11493	2.0
211.14862	5.3
213.16379	14.4
215.14365	7.7
215.17911	3.1
217.15924	10.6
219.17628	2.9
221.15515	2.0
223.14912	2.5
225.16409	4.1
227.17883	4.8
229.15851	9.1
230.05533	6.5
231.17439	5.6
233.08197	2.1
233.15384	5.4
247.16924	4.0
253.19566	2.1
257.19128	1.9
293.28436	2.2
311.83203	1.8
403.30029	7.6
405.31522	3.4
419.29816	2.1
421.31036	13.2
423.32623	5.6
431.29224	4.0
439.32080	5.3
449.30655	11.1
455.31586	100.0
456.13815	3.5
456.31909	11.2
467.31558	18.9
485.32635	98.7
486.32953	14.4
503.33646	45.3
504.33841	7.8
521.34711	3.7
587.35724	5.9
617.36841	4.1
635.20789	7.9
653.21991	72.6
654.22314	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	653.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05515	4.4
57.03432	3.6
61.02915	1.7
62.02333	1.8
67.05504	14.9
69.03439	7.8
69.07068	9.8
73.02923	8.6
79.05489	12.2
80.95384	1.8
81.07065	22.3
81.62283	1.6
83.04982	3.9
83.08642	4.1
85.02910	6.2
85.06557	2.1
91.05466	16.9
93.07056	24.6
95.04972	13.6
95.08613	48.1
96.08963	2.0
97.02917	3.3
97.06547	4.4
98.22556	3.8
105.07039	33.7
107.08607	30.2
109.06535	6.5
109.10159	15.4
111.08074	3.2
115.03976	1.9
117.07053	7.1
119.08582	60.8
120.08906	2.4
121.06520	3.7
121.10130	19.2
123.08070	8.8
123.11710	3.4
127.03905	2.2
129.07045	5.3
131.08569	27.0
133.06508	2.4
133.10132	27.7
135.08084	7.3
135.11713	8.1
136.12114	2.2
137.05966	4.1
137.09630	4.8
141.06926	1.9
142.07773	3.0
143.08588	12.5
145.06502	2.2
145.10124	36.7
147.08038	8.5
147.11671	17.2
149.09622	5.5
149.13287	8.3
151.07574	1.9
155.08600	5.0
156.09319	2.6
157.10133	17.9
159.08083	3.2
159.11717	20.8
161.06023	2.7
161.09654	6.9
161.13280	13.7
163.14859	5.6
167.07040	7.6
167.08478	2.1
169.10136	8.0
170.10777	2.9
171.11684	9.5
173.13274	15.9
175.11320	3.4
175.14883	13.1
177.12709	2.8
177.16364	3.9
181.04967	2.5
181.10162	2.5
182.11026	2.3
183.11697	5.6
185.13249	11.0
187.14822	44.8
188.15155	2.9
189.12811	6.6
189.16379	9.4
191.14363	5.4
193.10271	1.9
197.13266	5.3
199.14795	13.3
201.16393	17.4
203.14314	37.8
205.15851	10.7
209.13264	2.8
211.14810	5.1
213.16425	10.9
215.14388	5.7
215.17995	4.2
217.15912	11.9
219.17506	2.0
225.16417	2.8
227.17909	4.1
229.15941	6.5
231.17496	6.3
233.15451	4.4
237.16367	2.3
239.18076	4.1
247.16901	2.1
249.14769	2.3
251.18028	2.8
253.19603	3.3
259.16998	2.2
267.21286	1.8
287.05460	14.3
307.24280	1.8
321.05804	2.9
325.21869	2.0
356.22769	1.8
391.30023	2.5
403.29895	6.1
405.31287	2.7
421.30954	8.9
423.32672	5.3
431.29175	2.6
437.30368	3.0
439.32175	6.0
449.30460	11.1
455.31583	98.1
456.31964	15.7
467.31604	15.2
485.32654	100.0
486.32977	15.2
496.33499	2.3
503.33636	42.9
504.33984	4.4
542.52594	1.9
587.35596	8.0
588.35724	2.5
599.36261	2.0
617.36426	6.2
653.23999	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	653.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.05502	8.2
57.03436	3.6
57.07086	2.4
63.14085	1.9
67.05510	12.4
69.03432	15.4
69.07056	6.3
69.08157	10.6
69.08569	3.0
73.02933	8.9
73.03259	1.7
79.05485	11.4
81.03427	2.7
81.07056	20.9
83.04969	5.6
83.08626	5.1
85.02901	8.6
87.04453	3.7
91.05470	11.9
93.07050	20.7
95.04985	13.2
95.08611	50.6
97.02895	9.7
97.06521	5.4
97.10206	2.4
99.04450	4.3
105.07039	26.9
107.08595	23.8
109.06527	4.9
109.10165	19.8
111.04419	2.6
111.08098	4.0
115.03928	6.8
117.07015	4.2
119.07771	3.5
119.08583	48.3
121.06514	4.7
121.10155	17.6
123.08070	6.0
123.11698	5.4
125.09609	2.0
127.03913	2.2
128.06224	3.1
129.06978	3.8
131.08583	23.2
133.10143	23.4
135.08049	7.7
135.11696	8.0
137.09651	3.0
137.13269	2.7
142.07834	2.0
143.08571	10.8
145.10126	34.1
147.08043	7.0
147.11673	12.5
149.09586	5.5
149.13281	4.4
151.11226	2.1
155.08568	3.0
157.10147	13.0
159.11700	17.8
161.09618	5.1
161.13268	13.8
163.11235	2.5
163.14778	3.8
169.10118	4.4
170.10864	2.7
171.11723	12.3
173.09720	2.1
173.13240	14.9
175.11232	1.9
175.14882	14.5
177.12750	3.3
177.16408	3.1
179.14220	2.7
181.10138	2.8
183.11667	3.9
185.13304	8.5
187.14822	38.5
188.15186	2.7
189.12703	6.2
189.16362	8.5
191.14333	4.9
197.13258	8.5
199.14815	11.2
201.16383	15.0
203.14320	37.6
203.17845	2.9
205.15924	8.4
209.13225	3.6
211.14908	3.2
213.12825	2.4
213.16333	10.6
215.14307	6.5
215.17963	4.9
217.15929	11.0
219.17421	2.5
221.15416	2.6
225.16373	4.6
227.18056	2.2
229.15823	7.0
231.17429	5.3
233.15305	3.9
239.18060	2.9
243.17645	2.2
245.15298	3.4
253.19543	3.9
267.21106	2.5
371.26080	2.1
385.28900	2.2
403.29700	7.1
405.31519	2.0
420.05759	2.1
421.30917	13.4
423.32510	4.9
431.29184	4.6
437.30368	2.8
439.32098	5.6
449.30499	10.7
455.31604	100.0
456.31824	12.5
467.31494	16.1
485.32648	97.2
486.33118	12.0
503.33673	47.7
504.33853	8.2
521.35181	2.4
587.35486	7.0
617.36505	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	653.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.05500	8.2
57.03431	3.0
57.07066	3.1
61.02919	3.0
65.03944	2.0
66.33546	1.4
67.05505	19.2
69.03437	11.1
69.07068	12.1
69.47454	4.0
69.47858	5.4
71.05017	1.7
71.90727	1.5
73.02926	7.2
75.84941	1.3
78.17781	1.6
79.05489	10.1
81.03426	3.6
81.07059	24.9
83.04987	3.0
83.08600	5.6
85.02904	16.9
85.06534	3.4
87.00795	2.0
91.05473	12.1
93.07050	23.6
95.04976	12.0
95.08614	54.0
97.02892	4.9
97.06522	4.4
97.10191	2.8
99.04443	3.6
105.07027	29.2
107.08595	29.6
109.02837	2.4
109.06502	4.8
109.10164	19.3
111.08051	2.4
111.11733	2.5
115.03902	1.8
115.05466	3.1
115.16327	1.5
117.07031	4.3
119.08586	56.8
120.08904	2.0
121.06509	4.7
121.10158	21.2
123.08067	4.4
123.11723	4.9
127.03909	6.7
128.06190	1.7
129.07002	4.5
130.07704	1.7
131.08582	16.2
133.06590	1.7
133.10126	20.8
135.08041	5.1
135.11687	10.1
137.09607	6.2
137.13274	2.7
139.07555	1.7
142.07719	2.0
143.08560	13.4
144.09262	1.8
145.04976	3.4
145.10129	36.3
146.10583	2.1
147.08078	7.3
147.11705	16.6
148.13817	1.4
149.09625	4.9
149.13266	6.3
151.11075	1.5
151.14767	2.7
153.09061	2.0
155.08525	2.6
156.09358	2.8
157.10144	16.5
159.08009	2.7
159.11690	19.1
161.09592	5.5
161.13272	11.0
163.07449	1.6
163.11214	3.7
163.14807	4.4
165.07016	2.2
165.09123	1.7
169.10136	4.4
171.11713	11.6
173.09581	2.0
173.13306	13.4
175.14815	13.0
177.12784	4.3
177.16386	3.1
179.14337	1.7
181.10178	1.6
182.10974	2.9
183.11684	4.7
185.13306	8.8
187.11185	1.9
187.14821	46.5
188.15215	2.8
189.12755	5.7
189.16365	8.4
191.14243	4.9
191.17953	2.2
197.13248	5.1
199.14825	12.2
201.16417	13.3
203.14325	35.4
203.17979	2.4
204.14691	2.7
205.15857	12.0
207.13766	1.5
209.13293	1.9
209.15405	2.4
209.18832	1.7
211.14832	4.0
213.12750	1.6
213.16415	10.5
215.14320	6.4
215.17923	3.7
217.15895	9.8
221.15399	1.6
225.16405	4.0
227.17920	3.2
229.15930	7.2
231.13892	2.0
231.17418	6.8
233.15366	4.8
237.16425	2.6
239.17857	2.7
241.19383	2.3
243.17552	2.0
245.15344	2.8
247.17007	2.1
251.18028	2.1
255.17415	2.0
255.20999	2.0
257.19119	2.2
259.17026	2.5
385.29190	1.9
391.29660	3.6
403.29944	8.6
405.31287	3.8
421.31137	11.9
422.31506	2.3
423.32706	5.9
431.29456	3.4
439.31860	3.9
449.30444	11.0
450.30817	2.4
455.31592	93.7
456.32040	11.4
467.31470	16.1
485.32639	100.0
486.33127	14.0
496.34164	1.9
503.33670	46.7
504.33850	5.7
521.34344	3.4
587.35767	10.2
587.52350	1.8
617.36420	6.2
618.37891	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05512	6.7
57.03451	2.7
64.44431	1.6
67.05508	13.6
69.03441	10.6
69.07072	8.1
70.46468	2.1
70.46785	2.5
73.02914	9.6
79.05502	7.0
81.03425	2.5
81.07054	19.2
83.05025	3.9
83.08614	3.5
85.02913	3.6
87.04501	2.7
91.05494	14.5
93.07044	18.4
95.04980	17.0
95.08612	50.8
97.02879	3.8
97.06556	3.3
99.04489	3.0
105.07037	28.0
107.08594	29.6
109.06531	3.5
109.10167	15.9
111.08088	2.6
115.03950	2.8
117.07027	6.0
119.08593	57.6
121.06545	5.7
121.10162	16.3
123.08083	5.0
123.11736	2.7
129.07001	3.5
130.07811	2.5
131.08572	22.0
131.09479	2.0
133.10138	23.9
135.08078	5.3
135.11713	7.8
137.09612	3.8
142.07776	3.4
143.08594	11.7
144.09265	2.1
145.10135	36.9
147.08090	4.3
147.11684	13.1
149.09656	3.9
149.13263	4.3
151.11232	2.0
155.08556	4.2
156.09341	2.4
157.10135	18.0
159.08000	3.3
159.11703	19.3
161.09650	2.5
161.13275	11.4
163.11189	2.3
163.14883	3.5
165.26389	1.8
169.10158	5.9
170.10928	2.3
171.11624	9.4
173.09665	2.9
173.13272	16.0
175.11264	2.8
175.14815	10.8
177.16420	3.0
179.14360	2.1
181.10197	1.9
182.10876	2.2
183.11714	5.8
185.13264	9.8
187.14836	45.6
188.15312	3.2
189.12810	5.0
189.16397	9.1
191.14299	4.4
195.11778	1.9
197.13309	6.7
199.14868	14.5
201.12790	2.8
201.16385	14.3
203.14317	36.5
203.18030	2.7
205.15906	11.3
207.11752	2.6
211.14816	3.6
213.16399	13.2
215.14366	7.2
215.17932	3.2
217.15869	11.3
219.17474	3.1
221.15321	2.7
225.16354	2.4
227.17917	2.2
229.15930	6.5
231.17459	3.8
233.15456	2.0
237.16356	4.5
241.19571	2.8
243.17577	2.0
245.15411	1.9
247.16924	3.7
253.19595	2.2
391.29819	2.8
403.29877	4.4
405.31647	2.3
409.16504	1.9
421.30905	10.6
423.32761	4.0
431.29471	3.0
437.30603	2.7
439.31866	3.1
449.30713	10.3
455.31555	100.0
456.31921	14.0
467.31558	13.6
485.32623	92.2
486.32764	11.9
503.33694	47.0
504.33810	6.6
521.34656	3.5
587.25574	3.8
587.35657	6.3
617.36188	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	653.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.9
60.04749	4.8
63.62656	4.3
67.05519	19.8
69.03431	13.6
69.07079	14.2
71.30799	5.4
71.31206	5.7
74.50915	5.1
79.05506	10.9
81.07075	19.3
83.05000	5.7
85.02908	17.3
91.05473	8.4
93.07059	21.7
95.04974	11.0
95.08611	89.7
95.09164	8.0
99.04482	5.0
105.07063	16.6
107.08614	28.6
109.10171	22.0
119.08578	30.9
121.06515	5.5
121.10178	17.0
123.08066	11.6
125.99970	5.2
127.03882	6.0
131.08585	13.2
133.10165	19.1
135.08058	5.4
135.11710	10.4
137.05980	5.9
137.09592	6.0
141.06932	5.7
143.08548	11.0
145.10127	18.4
147.11751	11.8
149.09727	5.5
152.19737	5.2
155.08473	7.0
157.10164	17.2
159.11728	16.0
161.09726	5.9
161.13266	8.9
166.08699	4.3
169.10146	6.7
171.11620	6.3
173.13292	9.9
175.11299	6.6
185.13211	6.0
187.14891	10.2
197.13211	5.8
199.14803	7.1
201.12708	7.2
203.14282	31.6
205.15851	6.2
207.17407	6.2
209.13298	12.6
229.15919	6.8
243.17433	5.1
286.04602	6.8
287.05585	11.8
301.85815	5.2
343.22726	6.6
405.09549	7.3
419.29373	19.3
425.30487	92.1
426.30847	13.3
437.30670	27.8
455.31528	100.0
456.31766	14.3
473.32657	41.6
473.38568	7.0
546.41577	5.9
653.38593	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	653.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75394	1.6
53.03942	3.9
54.20303	1.7
55.01865	3.0
55.05511	13.3
57.03421	5.3
57.07080	12.9
61.02929	8.5
64.20401	1.5
66.88161	1.9
67.05511	21.9
69.03434	16.1
69.07069	49.8
69.78858	4.1
69.79247	4.1
71.04993	4.7
71.08644	3.9
73.02915	4.4
76.63448	1.6
77.84558	1.5
79.05489	11.1
81.03422	6.7
81.07060	72.2
82.07394	3.0
83.08616	27.2
85.02909	100.0
85.06543	7.6
87.04523	2.2
91.03958	6.7
91.05479	5.8
93.07034	8.8
95.04970	2.2
95.08611	85.9
97.02895	21.0
97.10176	17.1
99.04456	4.4
99.08082	6.6
105.07055	6.0
107.08594	11.7
109.02895	6.6
109.10161	59.9
109.63654	1.8
110.10478	2.3
111.08119	2.4
111.11714	18.1
113.09628	2.3
118.59839	1.8
119.08592	5.6
121.10164	8.0
123.11703	37.0
125.13268	23.2
127.03920	23.7
133.10126	4.6
135.11713	6.4
137.06050	2.3
137.13274	27.4
139.14799	3.1
143.14342	3.4
145.04958	48.8
145.10133	2.3
147.11694	2.9
149.13287	8.5
151.14824	17.9
155.14302	3.4
159.11771	2.3
163.06033	31.6
163.14835	7.0
165.16435	11.8
167.06989	3.4
167.14333	2.4
169.15897	4.9
177.16376	3.3
179.17978	5.2
183.17392	2.6
191.17886	2.1
193.19476	4.8
205.19580	3.5
207.21191	2.3
219.21092	3.2
237.22078	1.7
275.27301	11.8
276.27341	1.8
287.05399	4.7
293.28363	33.1
294.28864	1.9
311.05560	2.9
325.11215	12.3
405.18454	1.9
419.31418	3.9
455.31787	2.1
485.32294	2.7
486.17499	1.9
609.24701	7.0
653.22833	21.8
654.23785	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.07084	0.6
58.06607	7.3
67.05502	1.0
69.07063	1.7
71.32031	0.5
72.08150	2.5
73.06562	1.6
80.66803	0.5
81.07072	0.8
83.04987	1.9
86.09713	28.2
91.05471	0.5
93.07046	0.6
95.08615	0.7
98.09696	0.5
100.11262	100.0
101.06029	2.4
101.11582	2.2
111.35112	0.5
119.08537	0.5
121.10155	0.5
128.09834	0.5
128.10725	0.8
138.42096	0.5
146.11792	2.0
154.15909	3.3
168.13828	1.2
172.13382	1.7
186.14973	1.3
200.16483	1.1
201.12776	0.4
214.14407	0.7
228.15948	4.8
285.21683	5.9
299.23526	0.6
313.21439	0.8
313.24799	6.6
314.25235	0.6
327.22855	0.9
341.24356	11.7
342.24673	1.1
381.27753	0.5
409.27054	1.0
434.21051	0.5
435.22385	0.5
454.32944	2.1
462.20142	0.7
472.33875	5.5
498.35349	0.9
540.36200	0.6
549.25073	1.7
609.26794	1.6
621.26984	2.9
622.27899	0.7
625.45361	27.3
626.45850	4.4
629.62561	0.5
653.29401	7.6
653.43927	6.7
654.29517	1.2
654.45422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01866	1.7
55.05499	0.4
57.03434	1.6
61.02917	0.8
65.03947	0.3
67.05510	0.4
68.99779	0.8
69.03089	0.4
69.03432	6.3
69.62708	1.3
70.06585	1.2
71.04979	1.0
73.02898	1.4
77.03925	0.5
78.04701	2.1
79.05482	3.2
81.03416	5.9
81.07055	0.8
84.04530	0.3
85.02906	13.4
85.03432	0.7
86.09715	0.4
87.00824	4.6
89.06026	1.3
91.03980	0.5
91.05476	6.0
93.07069	0.4
95.04970	1.5
97.02904	5.1
97.06513	0.4
99.04440	2.3
101.02388	0.4
103.05466	2.2
105.01875	2.6
105.07027	4.6
106.04170	0.9
107.04957	7.4
108.04475	1.3
108.05167	0.4
109.02872	4.8
109.06525	0.9
111.04449	0.6
115.03953	0.6
115.05455	2.3
117.01881	0.8
117.07016	2.1
118.04147	0.9
119.04932	1.9
119.08582	2.0
121.06497	1.1
123.04429	5.0
124.05215	2.4
125.06022	0.5
126.05490	0.9
127.03916	8.0
128.04268	0.3
128.06219	1.6
129.01836	0.7
129.07001	6.5
129.10229	0.4
131.04938	2.5
131.11961	0.4
132.05673	1.2
133.06494	4.0
133.08591	0.6
135.04384	0.8
136.05208	1.2
137.05948	2.6
139.07520	0.4
140.04681	0.4
141.06981	0.6
144.05696	0.9
145.04959	3.1
145.06459	2.9
147.02896	0.6
147.04399	0.9
147.08043	2.5
147.11720	0.4
148.05151	0.6
149.05978	1.1
151.00188	0.3
151.03917	1.3
151.07533	2.4
152.04713	2.0
153.01868	0.8
153.05452	1.8
153.07059	0.4
155.04892	0.8
155.05960	0.5
155.07028	0.8
156.05678	1.0
157.06422	0.4
159.02917	3.0
159.04146	0.5
159.08035	4.8
160.05196	1.5
161.05983	9.2
161.09598	0.6
162.06593	0.5
163.06068	0.4
163.07487	0.9
165.05502	0.4
167.07037	100.0
168.07353	3.5
169.06474	0.8
171.08076	0.9
172.05174	1.4
173.05980	0.9
174.06729	0.8
175.07539	20.8
176.04620	0.9
176.07954	1.0
177.05508	1.4
177.09152	0.5
178.07860	0.9
179.07022	6.2
179.08446	0.4
181.04948	0.8
181.08559	0.6
184.05240	1.0
187.07539	15.2
188.07954	0.9
189.06973	0.5
189.09125	1.8
190.07819	0.6
191.07024	7.8
191.08618	0.6
192.07532	0.4
193.08597	3.6
193.10129	0.8
195.08044	0.6
199.07533	5.0
201.05470	0.5
201.09044	0.6
202.07764	0.9
203.08572	1.8
205.06488	0.9
205.08597	1.8
205.10248	0.5
206.07274	1.4
207.06357	0.4
207.08064	0.9
209.08003	2.4
215.08569	0.8
217.06624	0.7
217.08572	2.5
218.07381	1.8
219.08089	1.8
220.08813	0.9
221.09628	3.6
223.07559	0.8
223.09587	0.8
229.06476	0.5
229.08585	0.7
231.04906	1.8
231.08041	1.3
232.08855	0.5
233.05957	0.4
233.09677	1.9
234.06802	2.1
235.07578	1.4
235.09642	0.4
236.08293	0.5
237.09111	0.7
241.08580	0.3
245.06071	0.8
246.06714	0.9
247.07555	1.2
248.08014	1.4
249.09131	4.9
250.06349	0.5
250.09828	0.8
251.07039	1.5
258.06839	0.4
259.07520	0.6
260.08298	0.7
261.09204	2.8
262.06198	0.7
263.07056	1.1
264.07794	0.7
265.08560	1.0
266.09317	1.2
267.10312	0.4
275.07004	0.6
276.07809	0.5
277.08527	3.0
278.09238	1.3
279.06689	0.8
279.10077	0.6
281.11697	8.0
282.12036	0.4
283.09778	0.4
287.05508	11.4
288.05795	9.4
289.05792	0.4
289.08557	2.5
290.09482	0.8
291.06714	0.4
291.09967	0.9
293.08081	0.7
293.11725	1.0
294.08798	1.6
295.09631	1.5
296.09979	0.3
306.08749	1.1
307.09628	1.4
308.10376	0.5
309.11203	7.5
310.11649	1.6
311.09149	1.4
311.12656	0.6
321.11227	4.4
322.11975	0.6
326.11484	2.8
327.12122	0.6
333.11163	0.6
339.12256	1.4
341.13831	40.6
342.14175	3.7
351.12201	1.0
353.09409	0.8
353.13812	15.8
354.14175	0.8
359.14883	4.0
363.12256	0.8
365.13876	1.0
371.14935	6.1
372.15036	0.5
375.11926	0.4
377.13788	0.4
383.14795	0.9
407.14435	0.5
431.14877	0.9
449.10727	0.6
450.10922	1.6
492.11627	0.6
571.17456	0.3
654.23718	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01873	10.5
55.05515	6.3
57.03437	7.0
57.07083	6.1
59.05008	2.1
61.02925	7.5
67.04234	2.1
67.05511	16.1
68.99788	2.7
69.03434	35.6
69.07076	10.1
71.04988	8.5
73.02910	9.0
79.05494	24.0
80.05012	5.0
80.05786	1.9
81.03417	23.9
81.07060	52.2
82.06582	15.1
83.04987	16.8
83.08622	9.9
85.02908	67.7
85.06546	6.7
87.00838	26.7
87.04478	3.1
91.03981	3.2
91.05480	18.4
93.07052	25.6
94.06574	22.7
95.04970	76.0
95.08614	21.0
96.08118	2.6
97.02899	30.1
97.06515	11.3
98.73296	1.9
99.04462	23.2
101.02396	2.2
103.03947	1.9
105.01865	32.1
105.07023	27.7
107.04985	5.8
107.08595	34.0
108.08147	13.7
109.02876	29.2
109.05779	3.0
109.06522	58.0
109.10162	37.0
109.99100	1.9
110.10526	2.4
111.08067	9.1
115.03949	3.2
117.07018	4.6
117.85835	1.9
119.04929	2.6
119.08575	21.9
121.06512	4.0
121.10149	24.6
123.08088	10.3
123.11690	10.9
124.07597	8.2
125.09669	2.8
127.03912	51.2
129.01855	3.0
131.08559	18.2
133.10139	78.2
134.10507	2.5
135.08072	13.7
135.11684	15.8
136.07576	11.1
137.06001	4.7
139.11188	10.5
142.08647	33.3
143.08585	6.1
145.04951	22.9
145.10123	16.8
147.02890	3.5
147.08005	2.2
147.11693	15.5
149.09654	2.8
149.13264	28.6
151.11217	10.3
153.09122	27.0
154.08623	69.9
156.10255	2.6
158.10916	8.6
159.02888	13.9
161.13266	3.1
163.11209	2.6
163.14783	3.1
165.12735	4.6
167.07079	4.9
167.14308	9.3
171.10219	2.9
172.09680	7.2
173.13266	58.9
174.13666	2.9
175.14853	6.9
189.12762	2.8
191.14305	100.0
192.14627	4.8
209.15372	67.8
210.15675	3.8
213.03867	4.6
227.16431	13.8
231.04959	17.1
249.06015	4.4
251.12872	2.1
265.05707	2.3
284.22327	3.2
287.05542	7.0
288.05933	4.3
317.08813	2.7
353.19861	2.5
396.23795	6.6
402.26312	2.4
408.27484	2.7
420.27463	16.7
438.28513	23.0
456.29568	34.0
457.20706	3.5
474.30222	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	654.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46141	1.4
53.03938	4.0
55.01870	4.2
55.05511	12.2
57.03432	4.4
57.07078	5.6
59.04995	1.9
60.59134	1.7
61.02921	5.2
62.28136	1.5
66.56731	1.4
67.05509	16.9
69.03434	20.1
69.07063	11.6
69.33987	10.8
71.04995	7.5
73.02921	3.5
79.05484	10.4
81.03426	16.0
81.07053	32.0
82.28278	1.3
83.04983	23.0
83.08624	8.2
85.02911	41.5
85.06545	5.4
87.00840	17.0
87.04477	2.2
89.03860	1.4
91.05483	14.0
93.07045	21.6
95.04355	3.1
95.04974	58.0
95.08601	15.2
96.05284	1.4
97.02893	18.5
97.06536	10.7
98.23336	2.2
99.04471	15.5
99.08104	1.6
102.29588	1.6
105.01862	23.5
105.07029	32.0
107.05017	1.7
107.08602	37.2
109.02875	15.0
109.06520	26.5
109.10155	47.3
111.04468	1.8
111.08089	7.9
113.09686	2.2
115.07599	3.9
117.07018	3.0
119.08589	30.3
121.06494	2.9
121.10143	25.9
123.08088	7.7
123.11720	12.6
125.05968	1.7
125.09664	5.3
127.03919	26.5
129.07037	2.7
130.07793	1.7
131.08569	18.7
133.06541	1.6
133.10139	75.9
134.10468	1.8
135.08073	12.3
135.11697	19.5
137.05927	1.7
137.09612	3.8
139.11168	11.1
143.08578	3.2
145.04944	11.2
145.10114	10.8
147.11685	20.6
149.09682	3.1
149.13266	18.4
151.11220	12.1
153.09108	22.8
158.10916	7.2
159.02901	5.6
163.11197	2.7
163.14841	4.5
165.12759	5.0
167.06998	2.3
167.14317	10.2
169.12280	1.7
171.10239	2.0
173.13271	52.7
174.13539	3.0
175.14832	69.6
176.15196	3.6
187.99747	1.5
189.04013	1.6
191.14320	67.5
192.14673	3.4
193.15886	2.4
209.15373	100.0
210.15646	3.5
225.14821	2.4
227.16429	37.9
228.16905	2.6
231.05022	8.7
306.58371	1.5
334.24139	1.7
506.59866	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
54.45518	2.4
55.01867	7.0
55.05502	11.0
57.03426	7.8
57.07077	4.0
61.02922	7.1
62.15129	2.4
63.94187	2.3
65.03939	2.5
67.05507	14.8
68.99786	5.5
69.03078	3.5
69.03426	36.3
69.07066	8.1
69.30895	17.3
71.04979	7.3
73.02915	5.2
78.43716	2.4
79.05495	14.9
81.03425	22.3
81.07059	29.6
83.04963	19.3
83.08614	6.0
85.02908	75.3
85.06593	2.4
87.00829	35.0
91.05475	9.9
93.07054	18.8
95.04967	100.0
95.08620	12.7
97.02892	32.3
97.06523	5.0
99.04462	23.6
105.01861	38.6
105.07026	21.9
107.08586	25.9
109.02894	29.1
109.06522	57.3
109.10165	27.7
110.04694	2.4
111.08117	3.3
117.01907	2.8
119.08605	11.4
121.10157	18.4
123.08073	9.2
123.11684	8.4
125.09676	4.4
127.03918	62.3
129.01849	2.7
129.42847	2.4
131.08563	17.6
133.10129	67.8
134.10466	2.7
135.08052	21.4
135.11646	11.5
139.11179	11.3
143.08539	3.9
145.04948	17.9
145.10106	8.9
147.02956	2.4
147.11670	9.9
149.13235	22.1
151.11172	9.2
153.09116	22.9
158.10873	9.6
159.02887	8.7
165.12762	3.1
167.14316	9.1
172.26668	2.5
173.13271	42.9
191.14301	69.5
209.15384	68.8
210.15596	4.3
213.03983	3.7
227.16435	6.2
231.04979	12.4
319.53796	2.5
444.99792	3.2
642.90918	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	654.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
55.01870	5.2
55.05512	9.5
57.03429	5.3
57.07082	3.0
59.04996	2.0
61.02925	4.6
65.03953	2.0
67.05508	13.6
68.99809	1.7
69.03430	28.4
69.07064	10.8
69.27071	8.5
70.06590	1.8
70.53208	1.4
71.04995	8.0
73.02919	4.9
77.03918	1.3
79.05499	16.8
81.03421	17.1
81.07062	32.6
83.04985	18.0
83.08614	7.3
84.19290	1.3
85.02906	49.6
85.03423	2.5
85.06545	5.4
86.09727	1.4
87.00836	15.5
87.04471	1.6
91.03922	1.5
91.05479	16.8
93.07053	20.6
95.04362	3.1
95.04971	63.1
95.08604	14.1
95.09091	1.6
95.12778	1.2
97.02892	25.0
97.06525	8.6
99.04467	19.3
99.08096	2.2
105.01871	17.0
105.07032	33.4
107.08596	36.9
109.02874	15.1
109.06519	46.7
109.10155	30.6
111.04481	1.6
111.08080	5.6
115.03923	2.5
115.05489	3.6
115.07571	2.8
117.01899	2.3
117.07008	5.5
117.43505	1.1
119.08576	35.2
121.06515	2.7
121.10144	28.4
123.08073	7.9
123.11713	9.8
125.09604	2.9
127.03920	30.5
129.07059	1.4
131.08577	20.8
131.09496	2.2
133.10133	90.3
134.10422	2.5
135.08051	12.9
135.11678	13.7
137.05962	2.8
137.09641	2.0
139.11198	13.4
141.09151	1.7
143.08578	4.9
144.09312	1.7
145.04982	14.3
145.10126	10.7
147.11688	17.9
149.09642	3.1
149.13252	20.7
151.11183	9.9
153.09105	21.8
154.12395	1.5
158.10864	7.8
159.02916	5.1
163.11180	2.2
163.14867	4.4
165.12753	5.8
167.10635	1.5
167.14326	5.0
171.02888	1.4
171.11708	2.8
173.13263	71.0
174.13611	2.5
175.14824	100.0
176.15199	3.0
177.05533	2.4
185.13330	1.7
187.06090	1.9
189.12704	1.3
191.14313	76.8
192.14613	2.8
209.15370	88.6
210.15796	3.2
213.03946	2.9
227.16399	26.6
231.05028	9.9
249.06093	3.8
259.20572	1.4
439.19635	1.5
457.20691	1.7
506.33755	1.3
624.62457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.7
55.01873	6.9
55.05507	10.6
57.03431	6.8
57.07073	4.5
59.04995	2.1
61.02929	2.4
65.03925	2.4
67.05516	14.7
68.99798	2.6
69.03436	37.8
69.03813	1.8
69.07071	12.8
69.55804	3.3
69.56212	6.9
71.04991	15.0
73.02921	4.7
73.48995	1.5
79.05494	14.0
81.03423	27.8
81.07063	32.2
83.01351	2.7
83.04987	23.4
83.08626	8.5
85.02911	72.3
85.06551	6.5
86.09721	1.9
87.00829	31.9
87.02263	2.0
87.04480	7.7
91.03944	2.3
91.05476	12.4
93.07056	22.6
95.04974	100.0
95.08612	17.9
96.05319	2.2
97.02898	46.7
97.03511	2.9
97.06535	9.8
99.04463	28.0
99.08137	2.3
101.06044	1.8
105.01867	32.2
105.07048	22.0
107.04963	1.8
107.08600	39.4
109.02872	17.4
109.06526	38.7
109.10163	31.6
111.08081	5.2
111.97334	1.6
115.03934	3.9
115.07631	3.3
117.06995	4.3
119.04808	1.5
119.08583	15.8
121.06547	3.6
121.10145	38.0
123.08080	9.2
123.11705	31.7
124.12013	2.4
125.09681	4.8
126.98809	1.7
127.03924	62.8
127.07629	2.3
129.01807	2.1
131.08572	15.2
133.10139	56.2
134.10437	2.8
135.08076	24.3
135.11710	7.1
137.05988	2.8
137.09653	3.6
137.13228	2.7
139.11194	11.0
143.08554	3.5
145.04977	34.7
145.10156	7.7
147.11685	16.2
149.09634	9.8
149.13240	19.3
151.11191	19.4
153.09126	20.8
158.10907	6.1
159.02957	5.8
163.07555	2.1
163.11206	2.3
163.14795	9.1
165.12775	10.0
167.10715	19.6
167.14326	10.8
169.97406	1.7
171.10204	3.9
173.13275	38.4
175.14841	4.1
177.09154	2.1
189.12750	2.4
191.14320	74.9
192.14851	1.9
209.15376	98.0
210.15680	3.1
213.04024	3.9
227.16415	53.8
231.05000	27.6
249.06021	16.3
287.05606	3.4
288.05917	3.9
324.44495	2.2
654.27094	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	654.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.2
54.11902	4.6
55.05506	18.0
57.03437	6.3
57.07079	100.0
62.36090	4.4
67.05508	43.3
69.03433	78.2
69.07070	22.1
71.05002	40.2
71.08638	77.4
71.32420	6.7
79.05501	12.1
81.02984	6.2
81.03424	84.5
81.07051	47.5
83.05025	4.9
83.08637	30.5
85.02910	61.3
85.06550	6.4
85.10184	31.3
91.05488	28.7
93.07052	10.9
95.04944	5.2
95.08613	67.1
97.02902	63.5
97.10172	17.3
99.04456	11.4
105.07029	15.8
109.02863	45.6
109.10159	30.1
115.05460	5.3
117.07034	13.6
119.08593	10.5
121.06500	5.0
121.10118	4.5
123.11706	16.3
124.42253	4.1
127.03922	65.4
128.06218	7.6
129.06999	8.7
131.08578	17.6
132.97269	3.5
135.08099	4.3
141.07002	5.4
142.07817	4.5
143.08598	6.5
145.04930	25.0
145.06496	5.6
145.10100	7.1
147.08104	4.7
153.06912	4.1
155.08572	9.1
157.10118	4.6
159.08104	4.8
169.10211	4.5
201.12733	23.0
219.13791	10.7
239.23692	62.4
241.12823	5.0
249.58443	4.0
257.24731	10.2
293.31201	4.0
327.15891	4.1
356.89468	4.5
365.26987	4.2
383.27942	49.2
401.24435	6.6
401.29028	61.9
551.19421	4.5
560.86536	5.5
562.24957	9.6
592.07892	4.6
655.41693	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	655.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44149	0.3
53.03946	0.4
55.05499	1.0
57.07073	0.3
63.19494	0.3
67.01848	0.3
67.05503	2.0
68.05819	0.3
69.03422	1.3
69.07057	0.7
69.17263	0.7
69.17680	1.4
70.03781	0.3
71.04962	0.3
73.02919	0.6
74.01178	0.2
74.48502	0.3
76.51129	0.3
79.05492	1.7
80.05836	0.4
81.03413	0.3
81.07056	2.2
83.04981	1.2
85.02907	1.0
91.05487	2.5
92.05812	0.4
93.07050	2.5
94.07368	0.4
95.04951	1.4
95.08604	5.0
96.08934	0.7
97.02882	0.8
97.06539	0.3
99.04450	0.5
100.36911	0.3
103.05503	0.4
105.07034	3.1
106.07398	0.4
107.04967	0.3
107.08596	2.6
108.08964	0.6
109.06505	0.5
109.10153	1.5
111.04450	0.7
111.08055	0.3
115.05423	0.4
117.03411	0.2
117.07029	0.5
119.02427	0.3
119.04905	0.3
119.08574	4.8
120.08913	0.8
121.06553	0.4
121.10139	1.9
122.10464	0.7
123.04434	0.9
123.08041	0.6
123.11690	0.6
127.03877	0.3
129.05515	0.4
129.07022	0.4
131.08582	1.9
132.08940	0.5
133.10141	2.1
134.03644	0.6
134.10463	0.6
135.04456	0.3
135.08078	0.4
135.11722	0.8
137.05988	2.5
137.13245	0.3
143.08575	1.5
144.08975	0.4
145.02901	0.5
145.10126	3.3
146.10490	1.2
147.04457	0.4
147.08073	0.6
147.11659	1.3
148.12047	0.4
149.09598	0.5
149.13277	0.5
150.03145	0.8
150.13527	0.4
151.11153	0.4
153.01819	4.9
153.02974	0.5
155.08624	0.4
156.09079	0.4
157.10129	1.2
158.10512	0.3
159.11731	1.5
160.12032	0.6
161.09639	0.4
161.13287	1.1
162.03154	0.7
162.13622	0.3
163.03874	1.0
163.14793	0.3
164.04697	1.0
165.07002	0.4
165.09222	0.3
167.07092	1.4
169.10150	0.7
170.10687	0.4
171.06494	0.5
171.11649	0.7
172.12112	0.3
173.13289	1.2
174.13699	0.5
175.03870	0.4
175.11151	0.3
175.14883	0.9
176.15166	0.4
177.05504	0.8
177.16408	0.5
183.11697	0.5
184.11966	0.4
185.13168	0.7
187.14822	3.7
188.15186	1.9
189.07541	0.4
189.12767	0.6
189.16505	0.5
195.06599	0.5
197.13266	0.4
199.14862	1.2
200.15186	0.4
201.16425	1.1
202.16693	0.6
203.03418	1.8
203.14319	2.1
203.18027	0.3
204.14734	1.1
205.15845	1.0
206.16220	0.3
211.14961	0.4
213.05569	0.3
213.16341	0.7
214.16667	0.8
215.14287	0.5
215.17975	0.4
216.14645	0.3
217.15881	0.4
218.16211	0.3
229.04977	1.6
229.15863	0.3
241.04919	0.6
242.05731	6.0
253.04991	0.6
257.04459	18.4
258.05197	2.4
266.05820	1.1
269.04486	1.2
270.05270	2.1
271.05988	4.3
272.06421	0.3
281.04666	0.3
281.08008	0.3
285.03949	2.0
286.04678	3.7
287.05414	0.6
297.03909	3.6
305.08121	0.8
306.08704	0.5
308.06812	0.7
309.07535	0.6
310.04797	0.5
311.05362	0.5
333.07590	0.6
334.08319	1.2
344.06693	0.9
345.07458	2.0
355.04504	0.6
361.07001	3.6
362.07755	1.4
363.08386	0.4
372.06271	0.5
373.07077	7.1
374.07736	1.1
389.06549	5.2
390.07339	7.0
391.08029	2.0
397.04306	0.3
401.06424	1.8
402.06888	0.4
404.30466	0.5
405.31137	0.3
406.31668	0.3
417.06027	1.1
418.06827	17.4
419.07489	6.6
420.08298	0.3
422.31241	0.6
423.32251	0.4
433.09204	6.1
434.09546	0.5
446.06296	8.7
447.06473	0.5
449.30878	0.4
450.30795	0.6
455.31369	1.4
456.31873	5.7
457.32053	1.4
461.08664	26.9
462.09094	2.4
467.31595	0.5
468.31909	1.0
485.32648	1.2
486.33011	5.9
487.33209	1.5
493.11295	100.0
494.11600	9.9
494.18835	0.4
503.33688	0.7
504.33850	3.1
505.34390	0.8
588.36011	0.6
589.36523	0.4
618.37469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.1
67.05486	0.2
69.03407	0.2
69.11655	1.4
70.95796	0.1
74.84483	0.2
79.05497	0.3
81.03397	0.2
81.07044	0.3
85.02878	0.2
86.09681	0.2
87.40504	0.2
91.02951	0.1
91.05443	0.4
94.04227	0.2
95.04969	0.2
95.08587	0.2
97.72581	0.2
98.23401	0.3
105.07029	0.3
107.08549	0.2
109.10152	0.3
111.32819	0.2
121.10171	0.2
123.04446	1.0
134.03612	0.5
135.04411	0.3
137.02284	0.3
137.05981	2.0
145.02812	0.5
145.10168	0.2
150.03142	0.8
153.00662	0.3
153.01839	3.2
161.02460	0.2
162.03082	0.8
163.03909	0.9
164.04694	0.7
165.09319	0.2
167.07008	0.7
175.03923	0.3
176.04701	0.2
177.05464	1.0
194.05653	0.2
195.06660	0.3
203.03395	3.4
204.03650	0.2
208.07364	0.2
213.05412	0.3
229.04944	3.1
237.05638	0.2
238.06207	0.2
241.04979	0.5
242.05734	5.7
243.06078	0.5
253.04945	0.3
254.05695	0.2
257.04456	45.0
258.04962	4.3
266.05875	0.2
269.04459	1.1
270.05228	3.1
271.06006	4.9
272.06293	0.3
285.03958	3.2
286.04727	4.1
287.05463	3.2
288.05670	0.3
297.03949	3.5
305.08081	0.7
308.06842	0.8
309.07425	0.3
310.04706	0.4
311.05487	0.6
313.03589	0.3
315.04871	0.4
333.07745	0.5
334.08331	1.2
337.03519	0.3
341.03101	0.2
344.06741	0.6
345.07513	1.8
346.07928	0.3
353.06778	0.3
355.04462	1.2
361.06985	2.6
362.07858	0.9
363.08591	0.2
372.06097	0.3
373.07086	6.0
374.07693	1.2
389.06516	4.3
389.11508	0.2
390.07269	1.5
391.08035	1.3
401.06473	1.7
402.07159	0.6
405.09433	0.3
417.06076	0.7
418.06769	3.5
419.07614	4.9
420.07843	0.6
433.09171	1.5
434.09479	0.2
446.06329	7.3
446.12610	0.4
447.06311	0.8
461.08707	18.1
462.09045	1.9
478.08780	0.2
493.11301	100.0
494.11658	11.9
504.81308	0.2
655.16022	0.5
655.39667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.221
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33243	0.4
70.06587	1.6
71.30794	0.5
71.57867	0.4
82.07825	0.5
84.08131	0.6
85.02885	0.5
108.08019	0.5
117.03401	0.6
125.31032	0.4
129.53952	0.4
131.04982	0.4
137.06004	0.9
145.02863	1.5
146.03160	0.8
155.78139	0.5
161.05957	0.6
169.06900	0.4
175.03667	0.5
176.04503	0.4
177.05438	4.6
178.05827	2.2
181.04922	2.1
185.04230	1.1
185.34689	0.4
193.08517	0.4
203.06821	0.4
205.04730	50.0
206.05153	1.8
218.05536	2.3
219.06334	1.5
232.07031	1.0
233.07901	1.4
249.07375	1.9
266.07639	5.6
267.08362	0.8
279.08337	2.3
335.82111	0.5
381.11581	6.3
395.13120	8.4
411.12515	0.6
445.14539	0.5
493.16812	14.4
494.17096	0.9
611.55450	0.5
655.22064	100.0
656.22382	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
59.55280	0.5
61.95213	0.6
69.76301	1.4
69.76707	2.0
75.61741	0.6
81.51745	0.5
94.06630	0.6
98.22623	0.6
98.81104	0.6
103.49438	0.6
104.10790	1.1
120.04499	0.8
134.18385	0.7
144.08202	0.7
160.04033	1.1
180.08179	0.6
183.57483	0.5
188.03555	1.1
197.10739	0.8
207.09239	0.7
209.10809	1.3
221.10713	0.9
223.12325	1.0
227.11903	0.9
231.09187	0.6
235.12505	0.9
251.11719	1.0
261.81476	0.7
274.13409	1.0
286.13541	1.9
300.15079	1.6
302.16623	1.3
309.13019	0.7
310.13492	0.8
312.15103	0.6
313.12131	0.8
314.16727	0.8
316.14767	0.7
316.18289	0.8
328.14441	1.9
329.15244	0.9
342.16187	1.4
354.12363	1.0
366.15988	1.1
375.16000	0.9
377.18097	1.1
383.12668	1.2
387.16086	1.2
389.17746	2.5
391.19470	1.3
392.20120	1.0
393.21277	0.7
398.15375	0.9
400.17020	1.4
401.17734	2.4
402.18433	2.1
403.19467	4.0
404.19958	1.3
405.17035	1.1
410.14270	0.8
413.17343	0.8
414.18671	0.8
415.19357	2.5
416.19980	2.2
417.20935	4.6
418.21448	1.6
419.22763	1.5
420.19040	0.7
421.20517	0.9
424.16049	0.7
428.20032	1.0
429.20859	2.0
430.21555	2.6
431.17728	1.1
431.22412	2.7
433.16785	2.0
443.18317	1.8
444.18805	1.3
445.20203	2.6
447.17471	1.3
447.22305	1.9
448.18875	1.3
449.19852	2.2
457.20776	1.1
458.16962	1.6
459.21729	2.1
461.15335	1.0
461.20383	1.1
462.20428	2.0
463.21262	2.4
470.16565	0.9
473.23383	2.2
474.20844	2.0
475.17621	2.0
477.19653	2.1
485.19870	1.0
486.20642	1.6
487.21259	2.3
488.21939	2.3
489.18588	4.3
490.19788	2.1
491.20572	7.5
493.18390	1.4
499.21259	1.4
500.22028	1.0
501.23050	6.3
503.20850	2.0
504.21478	1.2
505.22366	2.7
507.19949	1.3
517.22235	2.0
518.23676	0.8
519.23663	1.0
521.22284	1.0
521.25513	1.1
529.22119	0.8
531.24188	1.9
532.23102	0.8
533.26202	3.0
534.24512	0.7
535.23688	3.8
536.24561	1.4
537.24872	2.9
549.23352	2.1
550.25555	0.7
559.23517	7.9
560.24036	3.2
561.25226	8.3
562.25214	1.2
563.22864	11.9
564.23578	9.6
577.24481	13.6
578.24866	2.2
579.25690	1.9
587.22900	1.4
591.26068	1.1
593.27942	3.6
595.25543	1.7
605.23926	15.9
606.23694	1.6
608.22729	1.1
609.27039	0.8
619.25494	31.6
620.25757	3.9
623.25232	2.2
637.26569	100.0
638.26849	15.2
638.36890	1.1
649.55847	0.7
655.27844	5.2
655.39801	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.03955	1.5
55.05522	3.3
57.07078	4.7
69.07079	1.4
71.31919	2.0
79.05495	1.3
81.07056	3.1
83.04988	18.6
87.52036	1.2
89.07207	1.0
91.05485	2.4
93.07065	1.5
95.07247	1.1
105.07051	1.3
119.08584	1.4
121.10172	1.3
129.06998	3.5
129.37306	1.1
147.11711	2.3
175.01573	8.7
181.02621	14.1
183.13678	1.1
191.49100	1.2
208.11311	1.2
209.10707	2.0
211.12274	1.4
221.10768	2.8
222.11505	1.3
223.12306	4.9
224.13036	1.7
225.13879	2.4
227.04723	5.3
228.46266	1.3
231.07622	1.5
235.12369	2.8
236.13042	3.9
237.13850	4.8
238.14679	5.4
239.15379	3.1
249.13939	2.1
251.15424	6.6
253.17108	2.8
257.05640	1.8
261.13947	8.0
262.14587	1.7
263.11697	1.5
279.14890	1.9
283.11023	1.6
312.14670	1.6
313.12143	5.4
351.16141	1.5
364.18137	1.7
366.18896	2.2
367.19424	2.6
369.18253	3.9
376.17679	2.1
377.17624	4.6
378.18359	1.8
379.19550	2.8
381.20908	2.1
383.22626	1.6
391.15350	2.4
393.16928	2.5
393.21365	2.0
394.17667	2.6
395.18686	3.2
396.19272	1.4
405.16779	2.2
406.18146	2.3
407.18411	2.7
409.20560	1.7
410.21402	2.1
419.18878	1.8
420.19632	2.5
421.20193	5.2
422.21252	2.9
433.20148	1.8
434.16733	2.1
435.17905	2.6
437.19223	2.3
438.20844	2.9
439.21548	2.1
448.19214	3.7
449.19489	6.0
450.20453	2.3
463.21469	3.8
465.18808	8.3
466.19354	2.1
469.25931	3.9
476.18530	4.7
477.19449	4.3
479.24200	3.9
480.22119	3.7
481.22247	2.0
482.22861	2.2
491.24557	1.7
492.21234	1.8
493.22504	2.7
497.25397	5.5
501.22543	3.8
503.21255	1.9
507.23569	4.1
508.20007	2.1
510.22433	3.8
514.25909	7.0
525.25323	8.0
526.24481	1.5
529.28088	4.4
533.24896	2.0
535.23212	6.3
536.23572	2.3
539.23206	2.6
542.25549	2.2
543.19025	8.1
547.23096	1.7
552.24872	2.1
553.24347	4.8
557.27307	3.3
561.24408	1.7
563.23053	4.3
565.28125	12.4
567.26038	7.6
569.27539	2.4
570.24811	1.9
579.25891	3.6
581.23615	4.4
583.29004	2.4
585.27094	20.3
586.27258	2.6
595.25549	100.0
596.16901	1.2
596.25732	16.7
599.25336	16.7
600.25037	1.4
605.23688	1.6
611.28101	3.0
613.26563	89.9
614.26892	14.8
623.25208	9.5
627.28174	2.2
637.26886	2.1
655.28046	34.6
655.41296	4.7
656.27710	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.276
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05503	3.0
57.03429	2.4
57.07080	20.8
61.02918	5.8
67.05504	6.2
67.46003	1.1
68.17259	1.0
68.38849	0.9
69.07081	5.4
69.83707	3.1
71.08636	13.7
73.02911	2.3
75.04478	1.0
75.44395	0.9
79.05497	1.6
81.07065	7.8
83.08627	5.3
85.02924	6.1
85.10180	9.7
91.03951	7.0
91.05485	1.4
93.06967	1.1
95.08604	12.2
97.02880	3.0
97.10160	2.7
105.07027	1.5
109.10136	7.4
111.16859	0.9
113.51368	1.2
120.04455	0.9
123.11686	2.6
127.03927	2.5
137.13327	1.1
145.04950	3.2
163.05995	3.6
177.76735	1.1
209.10716	1.2
209.13930	1.1
221.10715	1.1
223.12358	1.6
233.10730	1.6
237.10323	1.5
239.23734	14.1
247.12317	1.9
249.10007	1.5
257.24762	1.7
275.52054	1.1
288.15030	1.3
293.12973	1.7
313.27359	43.9
314.27747	2.4
328.14432	1.4
331.28439	7.2
356.10089	1.6
377.17502	2.5
379.19388	1.3
383.12576	1.5
384.12994	1.3
387.16251	1.6
388.16534	1.5
389.17694	3.6
390.18576	1.5
391.19128	2.0
398.15356	1.4
399.15884	1.5
401.17557	4.8
402.18335	2.8
403.19412	5.3
404.19858	2.0
405.16696	1.6
406.21158	1.8
407.22302	2.4
414.18484	1.2
415.19485	5.4
416.19656	2.9
417.21158	5.8
418.21582	1.7
419.17999	2.1
421.20648	1.7
429.20831	3.4
430.16635	1.5
430.21420	3.7
431.17847	1.8
431.22586	3.4
432.23465	1.7
433.20285	3.5
435.21893	2.5
443.18378	3.0
444.19583	1.8
445.19867	2.5
447.17294	2.4
448.18881	1.5
449.19556	3.1
457.20038	1.9
458.16776	1.7
459.21649	4.5
460.22491	1.5
461.19296	2.3
462.19913	1.3
463.21246	3.1
474.20050	1.4
475.21103	3.5
476.17627	2.9
477.18378	1.4
484.18225	1.1
485.19580	1.7
486.20529	2.0
487.21140	3.6
488.21799	3.0
489.19070	9.6
490.19452	3.3
491.20047	10.2
499.21097	3.1
500.21640	1.3
501.22943	8.6
503.19955	1.4
504.20721	2.1
505.22171	2.2
517.22345	2.7
519.24298	1.4
520.24255	1.2
521.21753	2.3
529.22345	1.1
531.23840	2.2
533.25275	3.7
535.23627	5.2
536.24084	2.0
549.24152	3.5
559.23529	13.0
560.23676	2.6
561.25085	19.1
562.25452	1.7
563.22882	18.3
564.23590	17.1
565.23761	3.0
577.24310	9.5
578.25464	2.5
587.22467	1.7
591.25726	3.2
593.27600	7.1
595.25128	3.4
605.23981	17.3
606.23962	2.8
609.27032	1.7
619.25519	53.2
620.25909	7.3
623.24847	1.9
637.26575	100.0
638.27002	15.5
655.27258	29.8
655.38922	7.3
656.27722	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2762
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
56.89456	1.2
67.05486	2.2
69.47105	1.5
69.47511	5.5
79.05488	1.9
81.07049	1.4
87.98537	1.1
93.07063	1.7
93.36340	1.4
94.06566	1.4
95.08588	2.3
98.23315	2.4
106.14941	1.3
107.08592	1.5
119.08536	1.8
134.14316	1.2
215.11983	1.2
222.11671	1.4
223.12311	1.5
227.11823	1.5
229.45451	1.1
249.60312	1.1
253.13414	1.5
274.13333	1.5
300.14841	2.7
302.16556	1.7
320.89835	1.4
370.15442	1.7
377.17795	1.7
394.21298	1.6
398.15216	1.3
403.19293	2.7
404.20041	1.6
404.90509	1.4
405.16708	2.1
407.18411	1.3
411.10583	1.3
416.19601	2.6
417.20615	1.9
419.18353	2.5
421.20154	2.0
426.14243	2.0
430.21591	2.4
433.20264	3.8
434.21072	1.7
435.22229	2.3
445.20142	1.8
446.17105	1.6
447.17523	1.5
449.19592	3.6
458.16885	2.6
459.17538	1.4
462.20459	2.4
463.21359	2.7
475.21729	3.0
477.19128	5.5
481.26526	1.6
489.18628	1.6
490.19763	2.0
491.20593	3.4
503.20801	2.7
517.22058	2.7
521.25354	4.2
531.20508	1.2
533.17078	1.5
535.23395	4.8
537.24939	2.2
545.22083	1.3
549.24982	5.3
559.23492	12.7
560.23859	2.0
561.24707	3.6
563.23047	8.1
564.23169	3.2
577.24500	18.2
578.24481	2.9
579.25531	1.8
581.25092	1.5
595.25171	2.2
605.24023	39.6
606.23859	5.1
609.26862	2.2
619.25104	4.9
623.24506	2.3
637.26587	100.0
638.26764	14.6
655.27289	27.0
655.39575	12.0
656.27698	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	655.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.2
57.07063	9.3
65.60468	3.6
71.04980	3.1
74.98791	3.5
77.81313	3.7
82.24936	3.6
83.04989	62.4
91.05486	4.8
98.22562	7.5
98.98485	5.0
105.07052	4.2
108.54557	3.7
122.74454	3.1
129.07013	4.9
147.11693	10.3
175.01575	28.8
181.02625	50.4
227.04752	21.2
286.35074	3.4
313.12027	31.7
331.12195	4.3
369.18167	12.1
433.24341	4.9
463.20950	10.6
463.26688	31.5
469.26019	4.6
476.21848	4.3
477.19022	6.8
480.22049	4.7
489.18216	3.8
491.24503	4.3
492.25259	5.9
501.22696	8.6
520.21069	3.6
525.25330	4.0
533.25366	8.8
535.23358	7.6
536.24603	4.8
543.19128	26.3
550.25354	3.7
551.26660	6.7
561.25079	4.1
565.28058	48.6
566.28467	4.6
579.26044	6.6
583.29321	5.4
585.27234	10.9
593.27246	5.9
595.25256	16.1
599.25464	59.5
600.25421	7.2
609.27643	16.3
613.26617	21.6
623.24908	10.9
637.25964	4.7
655.27911	100.0
655.42108	16.4
656.28058	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	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75711	0.2
69.18736	2.2
75.04523	0.4
81.07071	0.3
98.23515	0.4
118.42689	0.3
269.13242	0.3
308.21848	0.3
314.13113	0.3
375.29880	1.4
377.17761	0.4
378.18436	0.5
379.19424	0.6
390.18192	0.3
391.19208	1.1
392.20111	0.5
393.20752	0.6
403.19202	0.3
404.20459	0.6
405.16580	1.9
405.21112	1.1
406.17911	1.1
406.22290	0.6
407.18018	0.6
407.22491	4.8
408.22971	0.8
418.17639	0.6
419.18192	3.5
419.23343	0.6
420.18646	1.7
420.24002	0.6
421.20251	2.2
421.30676	0.8
431.18735	0.4
432.19220	0.4
433.20602	5.3
433.24963	0.4
434.21201	5.1
435.21875	8.5
435.27554	0.6
436.22549	1.5
446.21039	0.6
447.17737	1.3
447.22076	2.4
448.18628	1.2
448.22830	1.3
449.19049	2.0
461.19931	2.1
462.20343	5.7
462.25745	0.4
463.21176	4.0
464.22079	0.6
465.23209	0.4
475.21039	1.3
476.21838	1.4
477.22931	2.1
478.23721	0.8
479.20544	0.8
479.24796	0.3
481.25565	0.4
489.22913	0.9
490.23483	0.6
491.21002	0.5
493.21933	1.1
493.27121	0.5
494.22916	0.5
495.24167	1.3
505.21991	0.5
507.20251	1.0
507.24698	0.4
508.24881	2.0
508.33725	0.8
509.25787	2.2
517.22345	0.4
518.23285	0.3
520.24597	0.4
521.25696	11.9
522.25970	1.7
523.26807	0.4
534.23175	0.4
535.25043	0.5
549.24988	21.3
550.25568	2.6
553.25287	1.0
563.26892	3.0
564.27069	1.2
567.26434	0.4
577.24933	0.5
581.27753	3.7
582.28137	0.8
595.29413	9.8
596.29889	1.7
607.29346	0.9
609.27075	13.0
610.27362	2.1
613.26526	0.4
623.28156	1.2
624.29449	0.6
627.28967	0.3
637.25916	0.4
655.31219	100.0
655.40369	5.9
656.31561	16.5
656.40503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63424	1.9
53.03940	4.9
55.05521	19.5
57.07082	23.2
62.76369	2.0
65.68084	1.9
66.82278	2.1
70.27365	1.7
71.04997	5.1
71.32682	3.1
83.04984	100.0
91.05475	4.3
95.04993	2.6
95.53278	1.8
98.98470	8.2
105.07038	3.7
108.49928	2.1
115.62811	1.9
119.03220	2.0
121.00713	1.9
128.06255	6.4
128.69096	2.2
129.06996	12.1
132.12914	2.0
141.06987	3.5
145.06516	2.0
147.08032	11.1
147.11690	13.3
149.05238	1.9
151.01575	3.3
157.07605	3.6
159.08133	2.6
166.24570	1.7
175.01559	47.6
181.02614	77.2
182.03024	2.3
223.01498	1.7
227.04686	29.7
239.04738	4.5
257.05774	7.6
283.11087	7.2
313.11969	42.6
331.12936	2.8
332.04944	2.1
369.18225	22.7
487.12717	5.6
543.19092	53.6
544.19232	6.5
599.25299	82.8
600.25983	9.9
655.31384	34.8
655.41699	6.9
656.31738	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	655.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.3
55.01868	1.5
55.05514	21.2
57.07077	23.4
71.04992	6.4
83.04983	97.9
84.05318	1.6
91.05479	6.9
95.04962	2.7
98.98487	6.1
104.47713	1.1
105.07051	3.1
112.64635	1.1
115.05487	1.3
119.08595	2.3
128.06229	8.7
129.07001	12.6
141.07002	2.5
145.06516	1.7
147.08051	7.3
147.11676	12.5
151.01620	3.5
157.07680	3.9
169.07611	1.3
175.01567	53.8
176.02013	1.3
181.02608	80.7
187.01633	1.5
199.03816	3.1
227.04666	27.3
231.07942	2.3
239.04700	2.8
257.05804	10.1
283.10965	7.0
313.11984	44.3
314.12274	2.7
331.13116	1.8
369.18271	23.7
370.18811	2.3
406.70392	1.2
421.59964	1.4
487.12732	5.7
543.19055	43.1
544.19128	5.7
585.26837	3.1
599.25293	100.0
600.25708	14.0
637.42853	1.3
655.31610	80.1
655.42365	5.9
656.31940	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	5.6
57.03449	4.9
57.07082	41.3
61.02929	10.2
65.03954	0.7
67.05509	12.8
69.03423	1.7
69.07069	9.1
69.17007	4.5
71.04990	0.7
71.08638	30.4
72.08964	0.7
72.31239	0.6
73.02921	3.9
75.04478	2.7
79.05513	1.0
81.07062	17.3
83.08628	11.8
85.02907	9.1
85.06554	0.8
85.10190	18.6
89.06045	1.7
91.03958	9.2
93.07085	0.7
95.08614	24.5
97.02905	5.4
97.10175	5.8
99.11734	1.2
109.10157	11.8
111.11738	1.6
113.13298	0.8
123.11734	4.5
125.13340	1.0
127.03931	3.7
137.13258	2.3
145.04977	3.4
151.14864	1.4
163.06042	4.9
221.22597	1.4
239.23705	29.2
240.24110	2.2
257.24792	4.3
293.12854	1.0
303.15680	0.7
313.27383	100.0
314.27759	6.6
323.45325	0.6
331.28448	12.1
358.05215	0.7
461.23917	0.8
462.20682	0.7
475.22046	1.1
475.32675	2.3
489.22858	1.4
533.21802	0.8
548.23828	1.5
549.24243	0.7
562.22217	1.5
563.22467	1.0
577.24585	12.1
578.24457	2.4
605.23383	1.3
623.24841	1.4
637.26550	5.2
655.26874	7.8
655.39160	2.2
656.27161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41383	1.1
51.80766	1.1
55.05512	6.0
57.03429	5.1
57.07079	44.9
61.02925	13.1
62.30945	1.0
67.05514	9.8
69.03437	2.0
69.07069	7.8
69.88841	1.6
69.89190	3.1
71.08634	36.8
71.58040	1.1
73.02921	5.6
75.04493	1.9
76.16610	1.0
79.05513	1.4
80.49078	1.2
81.07066	16.4
83.08621	13.2
85.02914	16.5
85.10184	20.7
91.03957	13.7
93.07038	1.2
95.08615	30.1
95.09223	1.5
95.17192	1.2
97.02895	6.1
97.10181	7.2
99.11759	1.7
109.10165	12.5
111.11713	1.7
115.03951	1.6
123.11693	4.8
127.03944	5.3
128.54803	1.0
137.13216	1.7
145.04964	5.0
163.05998	9.2
163.91826	1.4
227.15865	1.0
238.58775	1.0
239.21260	1.7
239.23706	33.6
240.24095	1.8
248.68854	1.2
257.24832	5.3
313.27365	100.0
314.27725	6.5
331.28400	13.6
638.39069	1.2
655.27246	5.5
655.38049	2.1
661.82294	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.3
57.07081	3.5
67.05508	0.9
69.07053	0.8
71.05012	0.6
71.32269	0.9
74.24183	0.6
79.05496	0.7
81.07079	1.1
83.04993	12.8
91.05495	2.3
93.07051	1.1
95.08622	1.5
98.98488	1.4
105.07047	3.3
107.08595	1.6
109.27575	0.6
115.08144	0.5
119.08601	1.5
128.06227	1.1
129.07030	2.2
133.06546	0.7
133.10136	1.9
135.11755	0.7
141.07065	0.6
147.08099	1.5
147.11696	2.3
151.01625	0.7
157.07542	0.7
161.05984	2.2
161.07181	0.6
175.01573	6.5
176.25139	0.5
177.08917	0.6
181.02628	10.2
199.03801	0.5
215.06898	0.8
215.80745	0.6
223.12447	0.7
227.04652	4.7
231.07976	0.8
235.12524	0.6
257.05829	0.9
313.11954	6.1
314.12747	0.7
329.15393	0.6
369.18265	2.3
448.18997	1.3
461.25217	1.9
463.26682	100.0
464.27069	10.6
476.22174	0.8
477.18234	0.9
480.21445	0.9
501.23215	1.4
534.94781	0.7
543.19019	6.4
551.26178	1.0
553.24329	0.7
565.28162	6.8
566.28302	1.9
568.24615	0.7
579.25824	1.1
583.28644	1.3
593.27655	0.8
594.24774	2.5
595.25342	1.3
599.25287	13.3
600.25873	1.2
609.27026	3.5
610.27100	1.2
612.25867	0.7
613.26453	2.2
623.25024	1.3
637.26074	1.1
655.28925	14.5
655.41766	41.0
656.28430	3.8
656.41974	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	657.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.2
69.03416	0.3
70.06566	0.2
71.04935	0.2
71.30657	0.2
78.04658	0.2
79.05448	0.2
81.07047	0.3
86.09743	0.2
89.03901	0.3
91.05480	1.0
93.07014	0.3
95.04938	0.6
102.04685	0.2
102.33667	0.2
103.04884	0.2
103.05472	2.0
104.06283	0.2
105.06994	0.6
107.04947	0.6
107.06602	0.2
107.08587	0.3
118.04161	1.2
119.04944	0.5
119.57463	0.2
121.06502	1.1
123.04388	0.5
124.96368	0.2
125.02306	0.3
127.03855	0.2
130.04155	0.9
131.04927	3.4
132.05724	1.6
133.02841	0.4
135.04382	0.5
140.04663	2.0
146.03610	2.3
147.04405	0.5
148.05154	0.7
149.05952	0.9
153.01837	3.7
153.05377	0.3
154.06223	0.5
155.07010	0.5
155.10226	0.2
159.04411	0.5
160.05153	1.1
161.05975	1.2
162.03114	0.7
163.03871	0.7
163.07640	0.3
165.05472	0.3
166.06271	0.7
167.06987	1.1
173.06030	0.4
176.04698	1.5
177.05482	2.7
178.06252	3.2
179.06934	0.2
180.07741	0.5
191.07053	3.6
192.07829	1.6
193.05048	0.2
203.03372	2.7
207.06558	0.2
210.08873	0.4
213.05409	0.3
229.04951	3.1
241.04921	0.6
242.05742	6.6
243.06169	0.4
253.04921	1.7
256.07468	0.3
257.04446	47.0
258.05173	12.7
259.05649	0.9
269.04422	1.4
270.05258	1.5
271.05899	1.5
283.05917	0.5
285.03922	5.5
286.04709	24.5
287.05472	17.8
288.05737	1.0
295.05899	0.2
297.03937	3.2
298.04202	0.5
299.05661	1.4
300.06195	1.1
301.06976	0.6
311.05530	0.4
327.04968	1.7
330.79083	0.2
341.06613	2.4
387.08392	0.3
388.09586	0.2
391.08087	0.3
403.08380	0.5
411.21112	0.2
416.08734	0.8
417.09897	0.4
419.07535	0.8
431.08377	0.3
433.09360	0.3
444.08417	0.6
445.09177	0.8
447.07013	1.6
461.08591	0.4
462.09537	1.5
463.09659	0.4
465.11856	3.5
466.12463	0.3
477.11823	13.6
478.12097	1.5
495.12845	100.0
496.13159	10.3
657.18158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66037	2.5
81.07068	2.4
84.18807	2.5
95.08614	3.2
98.22527	3.2
215.27141	2.6
223.58846	2.5
245.64217	2.3
272.46188	2.3
285.02524	2.8
424.98303	2.8
425.16705	2.6
427.19495	3.7
429.20984	3.0
441.18500	3.6
457.23428	3.7
463.16693	4.7
477.18329	5.9
487.20996	3.1
492.21091	5.7
493.17520	6.6
506.18927	5.6
519.19482	8.8
520.16956	4.5
533.17322	3.8
537.20074	7.5
551.21930	6.0
579.21429	46.7
580.21814	5.7
607.21149	16.6
639.23657	100.0
640.24030	15.9
657.24835	22.5
658.24353	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49115	3.3
56.83386	4.1
67.05501	7.1
69.19900	26.2
79.05457	3.4
81.07043	4.5
92.21909	3.7
107.08598	4.5
121.10127	4.1
133.99757	3.8
137.57881	3.8
191.35768	4.6
338.16254	4.3
379.19800	5.1
391.19235	6.0
406.22025	5.4
409.19962	7.4
421.19739	8.6
423.21732	22.9
435.21844	12.2
436.21948	4.4
437.23038	4.0
451.21094	7.3
463.21396	8.3
464.22006	6.0
468.25104	5.3
477.22604	6.8
479.24509	7.0
493.22205	4.6
494.26047	8.1
495.23520	18.4
496.24677	9.3
508.24899	18.1
509.25476	20.0
510.26038	13.2
511.27054	18.8
521.25562	6.6
523.23444	6.0
537.25140	26.0
538.25287	15.9
553.27625	13.5
581.27563	39.3
582.27521	7.4
583.24969	11.9
597.18445	5.8
597.27136	63.3
598.27924	20.1
602.28125	4.5
613.30090	76.1
614.31097	8.6
625.17303	6.8
625.26593	100.0
626.26611	17.8
639.09460	4.3
657.29663	7.2
657.40186	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	657.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54172	1.1
69.20372	8.2
88.04243	1.0
106.64459	1.1
156.08022	1.1
159.09180	1.5
162.99673	1.1
174.09067	1.2
183.09196	1.4
204.13760	1.1
209.10796	1.7
221.10684	2.0
223.12407	2.4
224.13008	1.1
225.13963	1.4
233.10744	2.0
235.12271	2.4
237.13838	2.4
246.11549	1.5
247.12408	2.7
249.13855	1.8
259.12274	2.2
261.13992	2.1
271.12289	1.4
273.13684	3.5
275.15494	1.5
286.13409	1.2
287.15421	1.9
288.15289	1.0
298.13382	1.3
304.47830	1.2
307.17050	1.1
314.16388	1.4
315.17618	1.3
316.14389	2.0
318.15927	1.4
324.15189	1.5
326.16617	1.5
332.17764	1.7
338.16385	1.8
340.18079	3.0
349.14740	1.2
350.16498	2.3
351.16681	2.1
352.18002	3.8
353.18582	2.1
354.19705	1.7
360.14279	1.1
361.14606	2.1
362.16177	1.3
363.16248	3.4
364.16895	2.8
364.37744	1.4
365.17755	3.8
366.19406	2.2
375.16443	1.6
376.17163	2.5
377.17612	4.0
378.18958	3.6
379.15054	1.9
379.19443	7.2
380.20532	2.8
381.20868	2.3
388.17715	1.6
389.18167	2.3
390.19226	1.7
391.19769	6.2
392.19724	3.7
393.16849	3.2
393.20718	4.6
394.17545	2.7
395.18039	1.5
403.19510	2.1
404.16727	1.8
405.16156	1.8
405.21289	5.2
406.21866	2.6
407.18555	5.6
407.22327	5.7
408.19022	5.4
409.20035	8.8
410.20157	1.8
417.17300	3.5
418.18149	2.0
419.18570	3.6
419.23245	1.7
420.19492	3.5
421.19754	8.2
421.24973	1.8
422.21011	6.2
423.21890	22.8
424.22491	6.1
431.18677	1.6
432.19260	1.8
433.20380	3.1
434.21042	2.2
435.22235	11.0
436.22855	6.5
437.23572	7.0
438.23666	1.2
442.21039	1.4
446.21219	3.0
447.21609	4.0
449.19073	3.1
449.24228	1.9
450.23553	3.5
451.20688	8.0
452.21759	1.9
453.22992	2.5
454.20056	6.2
456.22815	1.5
461.23785	9.6
462.21130	2.4
463.21375	4.1
464.21762	3.5
465.23291	7.0
466.22052	3.4
467.24112	4.9
468.24649	3.7
476.22070	2.6
477.23508	6.2
478.23477	4.3
479.19516	1.5
479.24387	6.9
480.22919	1.8
481.22354	4.3
482.22778	1.9
492.21448	1.5
493.22375	8.3
494.27148	8.4
495.23584	18.9
496.24493	8.4
497.25485	1.4
504.24683	1.3
505.22464	2.0
507.23819	2.3
508.24701	18.4
509.25562	15.3
510.26517	15.8
511.27164	16.2
512.27655	2.1
516.25134	2.8
521.26031	6.6
522.25439	4.2
523.23138	6.5
525.28381	3.2
526.28888	3.9
537.25098	26.1
538.25500	15.2
539.25958	3.3
549.24664	1.8
551.22607	3.5
553.28632	12.7
555.25916	4.6
565.24310	4.2
566.24664	2.4
570.28314	5.8
571.28467	2.0
581.27539	30.3
582.28149	5.6
583.25525	7.2
584.26312	1.6
596.27441	2.0
597.27112	63.4
598.27618	17.4
607.24994	2.9
613.30164	78.7
614.30530	11.4
625.26520	100.0
626.26758	15.0
657.29163	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	657.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32166	0.3
55.23151	0.3
56.05030	0.9
57.05814	0.4
67.05502	0.5
69.07069	8.1
70.06592	3.1
72.08148	0.6
75.05591	1.9
84.04511	0.4
84.08145	17.1
86.06081	2.5
86.09708	100.0
87.05605	0.8
87.10042	1.5
88.03966	0.4
91.05508	0.6
98.22581	0.9
101.10777	0.4
103.05482	0.4
107.04961	0.4
111.09192	0.7
114.04723	0.4
114.05529	8.2
123.04397	0.4
129.10237	15.1
130.08643	3.6
131.04977	0.3
136.07614	0.4
137.05977	2.5
139.08630	0.8
141.10233	0.5
143.11787	11.2
147.04419	0.7
147.11299	2.5
153.06647	0.4
153.26096	0.3
157.09775	1.2
161.06029	0.4
163.07568	0.3
167.07011	0.4
168.23978	0.4
171.07632	3.7
171.11337	0.7
181.04959	0.5
183.11310	0.8
184.10818	1.2
198.12415	0.6
199.17976	0.6
208.10921	0.4
209.09215	3.2
211.45154	0.5
226.11852	3.8
227.10411	0.4
228.13426	1.0
238.15582	1.1
243.14545	0.9
244.12907	2.7
256.16586	7.5
261.08920	0.4
261.15601	10.0
284.16040	15.0
285.16458	0.8
339.20245	0.7
356.23181	0.4
357.21390	0.9
374.24008	5.1
397.24475	4.5
397.70441	0.4
398.25037	0.4
487.32816	0.4
544.34668	1.0
589.03296	0.3
639.37854	0.7
640.37280	0.8
657.39276	43.0
658.39423	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	657.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33101	0.4
67.05501	0.3
69.58234	0.9
69.58630	0.5
74.79022	0.3
95.08649	0.3
108.38435	0.3
108.49392	0.4
113.05166	0.3
133.08722	0.3
169.04727	3.9
198.18268	0.4
239.39493	0.3
313.70468	0.3
333.45657	0.4
407.28244	0.5
439.26758	1.1
441.28253	1.3
657.39709	100.0
658.40057	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	658.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
63.20842	0.9
70.06106	1.8
70.06583	4.7
72.08160	2.8
76.02205	1.3
78.04716	1.5
79.05486	1.8
84.04474	1.6
84.08184	1.2
85.02831	1.1
89.03916	1.0
90.57710	1.0
91.05486	4.0
103.05447	1.6
105.07043	3.2
106.04189	1.1
107.04946	5.0
113.42446	0.9
115.05435	1.4
117.07052	2.9
119.04952	3.5
122.02709	2.6
123.04427	3.9
124.05233	1.3
129.07021	1.4
131.04947	3.3
133.06554	4.5
136.05200	1.4
137.06027	2.4
145.06494	7.0
147.04422	12.0
149.05963	1.8
151.03862	1.2
151.07541	2.4
153.05423	1.5
161.05995	12.8
167.07047	100.0
168.07399	3.9
173.05963	12.8
179.07092	5.5
180.07802	1.3
185.05981	4.9
191.07045	8.8
191.08559	1.4
192.07671	1.1
193.08624	4.7
203.07060	3.8
203.08690	1.3
209.08127	1.8
219.08022	1.5
221.09811	1.4
227.21950	1.0
234.06758	1.4
235.07538	2.4
247.07620	1.1
249.09071	2.1
251.07021	1.2
261.09076	1.1
267.06775	1.0
267.10071	1.8
275.06821	1.4
289.08508	1.5
295.09763	2.7
307.09720	2.8
309.11526	1.1
312.09955	6.1
327.12265	18.6
328.12772	1.5
330.10919	1.3
339.12299	9.0
345.13394	11.2
346.13336	1.3
357.13351	8.8
479.10663	1.0
537.03375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01880	1.4
55.05270	1.0
55.05517	14.0
57.03428	1.4
61.02930	2.3
65.03941	1.4
67.05511	2.9
69.03435	5.4
69.07069	0.8
71.04996	2.9
73.02911	0.9
77.55821	0.5
79.05496	4.8
81.03415	2.8
81.07079	0.8
83.04985	100.0
84.05317	1.9
85.02910	20.8
86.03232	0.6
91.03984	0.8
91.05485	10.4
93.07054	2.2
94.92274	0.6
95.04977	5.4
97.02903	6.8
97.06512	2.7
98.22621	1.2
99.04452	2.1
99.40272	0.6
101.06029	1.5
103.05477	1.7
105.03375	0.6
105.07018	3.8
107.04958	0.9
109.02884	2.8
109.06532	0.8
115.05459	8.6
116.06313	1.2
117.07034	11.2
119.05000	0.9
119.08622	1.3
121.06538	2.1
127.03954	5.0
128.06230	10.9
129.07018	13.8
131.08586	2.7
133.06512	1.3
135.08076	0.6
141.06987	10.6
142.07797	6.2
143.08569	5.0
145.04942	3.8
145.06511	1.6
147.08081	0.7
152.06042	0.7
153.07013	3.9
154.07837	1.2
155.06029	0.9
155.08557	7.0
156.09346	3.3
157.06532	1.2
157.10138	6.6
158.07307	2.9
159.08063	1.0
161.05917	0.5
163.06029	1.2
163.07520	0.8
165.07005	8.5
166.07777	6.1
169.06465	1.2
169.10129	0.7
171.08105	3.6
171.11682	0.8
173.09641	0.7
179.08545	0.9
181.10175	2.3
183.08047	1.1
184.08827	2.1
199.07550	0.7
199.11180	8.5
217.12270	1.0
245.10403	1.1
299.16431	2.5
362.68982	0.7
425.48209	0.6
593.96106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79132	2.8
53.00322	3.2
53.03939	7.8
55.01873	5.6
55.05523	15.6
57.03449	3.9
57.07080	21.3
60.87703	2.8
61.23307	2.8
65.03933	12.1
67.05511	41.3
69.03424	20.2
69.07053	15.5
69.61917	6.1
69.62318	13.4
71.04990	12.7
71.08629	17.6
73.06543	7.9
79.05487	41.3
79.40231	3.0
81.03423	27.6
81.07060	38.3
82.80408	3.4
83.04974	6.1
83.08622	8.9
85.02924	17.5
85.10194	11.2
87.04469	11.1
89.06037	100.0
90.06320	3.5
91.05475	43.3
93.03400	27.6
93.07052	34.8
95.04959	9.7
95.08608	38.1
97.02872	7.5
97.06522	3.3
97.10161	6.9
99.04439	5.0
105.07037	34.5
107.04948	4.3
107.08601	23.7
108.30851	2.8
109.02884	7.7
109.06578	4.5
109.10159	14.4
111.08070	3.4
115.05442	7.4
117.07030	19.2
117.09131	5.1
119.08573	19.0
121.10178	20.0
123.04423	3.5
123.11729	5.0
127.03886	4.5
128.06255	8.5
129.07042	14.2
130.07753	4.6
131.04919	4.5
131.08548	22.3
133.08600	63.0
133.10185	13.2
135.08028	4.3
135.11700	12.6
141.07022	7.8
142.07722	4.3
143.08575	9.1
145.06462	5.7
145.10146	13.1
147.11697	9.9
149.09662	3.4
149.13289	4.9
153.07008	7.5
155.08553	9.3
157.10117	8.4
159.11668	15.0
161.13292	8.3
163.14751	3.5
167.08559	5.0
169.10130	6.4
171.11702	4.8
173.13261	9.4
175.11250	4.4
177.11223	26.0
183.11746	3.7
183.21117	7.7
185.13239	5.6
187.14935	3.3
221.13765	6.9
243.21233	5.1
259.20895	4.9
261.22195	11.2
271.26410	5.8
277.21637	5.0
296.57648	3.7
301.21625	5.8
303.23087	11.3
319.22702	6.3
341.24689	7.8
351.23166	7.9
359.26105	4.0
369.24164	21.2
387.25220	17.2
405.26431	17.7
459.28058	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	658.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75911	4.3
52.87412	4.2
53.03941	16.3
55.01871	14.1
55.05521	28.1
57.03432	11.2
57.07085	6.5
65.03938	27.6
67.05172	8.5
67.05506	100.0
69.03430	57.1
69.07079	26.5
71.01334	4.4
71.04997	38.4
71.32533	6.6
71.61668	4.8
79.05499	89.2
81.03419	63.7
81.07059	90.8
83.04989	11.6
83.08607	11.0
85.02899	36.7
85.06566	6.6
87.04459	6.8
89.06041	23.9
91.04956	8.6
91.05482	95.7
93.03411	93.0
93.07048	89.5
95.04961	22.4
95.08041	7.5
95.08605	75.6
97.02899	22.2
97.06519	7.8
97.10181	7.7
99.04432	8.3
103.05481	11.0
105.07036	74.7
106.07372	5.3
107.04973	13.2
107.08604	44.4
108.04481	9.1
109.02857	16.7
109.06529	6.1
109.10142	48.2
111.04430	15.9
111.08071	6.8
115.05445	20.3
117.07023	46.1
119.08586	58.1
121.06508	14.6
121.10130	45.0
123.08064	6.7
123.11720	16.0
125.09652	7.3
127.03896	11.7
128.06239	15.9
129.05507	10.1
129.07016	31.5
131.04929	6.7
131.08575	57.6
133.06526	5.5
133.08626	14.9
133.10123	32.4
135.08041	11.8
135.11679	31.6
137.05981	8.1
137.09573	7.2
141.07034	19.0
142.07808	14.7
143.08575	23.5
145.06505	11.5
145.10143	42.2
147.08084	7.9
147.11719	32.1
149.09671	5.8
149.13284	18.0
153.06984	10.4
155.08546	18.4
157.06477	5.3
157.10146	19.0
159.08093	9.1
159.11726	33.5
161.13243	17.1
163.14810	7.6
165.12740	5.1
169.10143	14.6
171.08055	8.4
171.11697	16.9
173.09627	8.8
173.13310	20.2
175.11157	5.9
179.08420	5.7
183.11722	10.4
185.09639	7.8
185.13268	10.1
187.11188	7.6
187.14801	8.6
197.13231	6.6
199.11182	6.2
199.14813	9.1
201.12761	14.7
201.16345	5.0
201.76030	5.2
207.13823	5.6
208.02022	5.7
211.14919	5.0
213.12773	6.9
223.14845	6.4
223.35846	5.3
225.12596	5.6
243.21011	5.8
259.20526	10.3
261.22144	18.6
275.23886	5.3
277.21518	9.2
285.22137	9.1
303.23248	14.6
315.22998	6.1
323.23773	5.0
327.23212	11.6
341.24649	10.0
345.23920	6.1
351.23145	18.8
369.24384	39.9
387.25253	34.3
405.26376	29.0
406.26761	6.3
543.19196	6.1
658.23303	11.7
658.42267	16.0
659.28961	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2346
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
52.51030	0.8
54.82752	0.8
69.48412	4.2
74.27623	0.7
81.07013	1.0
83.79215	0.8
119.08630	0.9
131.58742	0.7
134.99718	0.8
136.20763	0.8
205.70334	0.8
385.13058	1.6
386.13516	1.2
399.14587	4.7
400.15280	7.7
401.15759	2.5
408.12415	1.1
409.13449	1.1
410.14624	1.6
411.15344	1.7
412.15558	1.6
413.16028	4.3
414.16934	5.3
415.16791	1.5
421.12909	3.5
422.13766	6.8
423.14383	6.4
424.15472	2.3
425.16119	1.8
427.17743	2.4
428.18927	1.5
429.18781	3.4
435.14609	4.3
436.15344	9.5
437.16257	13.3
438.17032	5.3
439.17664	1.5
440.18744	1.0
441.15591	2.5
442.16321	1.3
449.16333	1.4
450.17450	4.6
451.18628	6.1
452.19376	4.5
455.17273	1.7
456.17920	2.2
463.14288	1.4
464.15079	2.9
465.15546	5.0
465.20105	2.3
466.20120	2.5
467.17554	2.7
469.14319	3.5
477.15970	1.2
478.16299	3.6
479.17502	5.4
480.18137	6.3
481.14404	1.7
481.18915	1.3
482.15399	3.7
483.16373	4.9
484.16861	5.0
485.16888	1.4
492.13583	1.1
493.19214	12.0
494.19208	4.1
495.16211	6.2
496.17151	4.9
497.18051	1.7
498.14700	4.5
506.15952	1.6
507.16623	3.4
508.17526	8.0
509.18390	7.3
510.15250	2.8
511.15848	2.2
511.19632	2.3
512.16492	12.7
513.17126	2.3
516.23987	1.5
521.18335	13.2
522.18530	5.7
523.19128	1.4
524.16205	1.2
525.17499	1.3
526.15125	1.7
535.16040	0.9
538.18384	1.1
539.19373	3.6
540.19611	9.1
543.22418	3.6
549.17786	1.2
553.20917	21.4
554.21405	3.8
571.22198	5.2
572.22290	8.1
573.21722	1.8
581.20337	56.5
582.20624	11.0
598.21222	1.2
599.21167	31.4
600.21478	11.7
601.21777	1.3
609.20020	2.2
613.22961	23.6
614.22467	4.5
615.28156	0.8
622.22968	2.9
627.21735	1.2
631.23779	5.4
632.24091	1.3
641.22437	100.0
642.22717	19.6
659.23523	32.7
659.33630	1.7
660.24054	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.1
66.32058	2.0
67.05520	1.8
70.62254	4.5
79.05508	3.9
85.02926	2.2
88.93428	1.6
91.05473	6.3
93.07072	3.9
94.06567	5.4
95.04951	3.9
95.07376	3.8
96.08114	6.8
97.02879	1.7
105.07030	2.4
108.04509	1.6
108.08112	5.6
110.09684	10.0
116.05008	2.0
119.04926	1.6
120.08096	8.5
121.06526	3.4
122.06047	3.4
124.07564	4.2
136.07591	6.9
137.05984	6.1
137.08362	2.0
138.09131	14.1
139.87781	1.9
144.04466	7.0
146.09717	1.9
148.07561	2.0
155.08684	2.0
160.03938	2.4
161.05948	3.0
162.05499	3.9
166.08652	18.5
167.07053	5.0
172.03935	25.6
174.05566	1.8
175.08688	2.7
179.06985	2.2
180.08022	1.8
181.04993	10.6
187.12299	8.6
190.04976	6.7
194.08049	1.7
198.09143	21.6
204.06577	38.7
205.06917	1.9
207.06577	4.7
209.03883	1.8
209.08136	8.0
212.10837	3.5
215.11853	17.0
216.12224	2.1
225.10146	2.1
226.08691	6.0
227.08383	1.8
231.11363	2.3
237.10199	7.0
239.11801	2.6
240.10298	2.3
241.09679	2.5
243.11293	100.0
244.11557	5.3
251.08229	2.3
252.09029	2.0
253.09779	2.8
255.11281	6.2
257.12875	5.5
265.09708	6.8
274.84708	2.0
285.12344	91.8
286.12592	7.0
295.10757	2.9
297.12268	2.4
301.11871	6.1
303.13419	79.6
304.13663	6.2
311.10162	11.8
321.08911	1.9
325.11862	6.8
339.09808	18.2
340.10120	2.2
343.12839	2.5
357.14664	1.9
358.32208	2.1
371.12402	21.8
372.12726	2.5
462.16467	4.2
470.16653	2.1
474.16309	1.9
476.18005	2.4
494.18878	2.6
504.17786	5.7
522.18176	3.0
536.20282	2.8
583.24915	3.0
601.87061	2.0
627.23938	6.6
641.26001	11.7
642.26178	2.1
659.29755	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.26558	1.2
55.01874	2.5
55.05500	4.0
57.03436	4.9
61.02926	4.3
65.03929	1.5
67.05515	4.2
69.03429	16.5
69.07072	53.4
69.24560	2.5
69.24974	4.9
70.84910	1.1
71.01349	1.5
71.04973	1.4
73.02909	2.3
73.06570	8.4
79.05502	7.5
81.03424	9.3
81.07065	9.9
83.04995	1.7
83.37650	1.0
85.02908	40.1
85.06551	1.8
86.09692	1.3
87.04481	1.5
87.29513	1.4
91.03953	1.7
91.05489	12.2
93.07051	7.3
95.04979	4.1
95.08112	1.1
95.08621	5.2
97.02885	13.8
97.06531	15.7
98.22668	2.7
99.04442	2.7
103.05489	1.6
105.07040	20.2
107.04992	6.1
107.08577	6.7
109.02880	4.1
109.06521	25.2
109.10158	3.1
111.04443	3.5
115.05431	1.8
115.07578	16.3
117.06993	6.7
119.08575	11.2
121.06532	8.6
121.10120	8.1
123.08060	3.1
125.05983	3.5
125.09620	2.5
127.03911	7.2
127.11175	1.4
128.06288	2.8
129.07005	3.5
130.07800	2.2
131.08586	12.6
133.06491	2.8
133.10126	9.4
135.04407	5.1
135.08057	2.2
135.11696	2.7
137.05948	5.7
141.06975	1.7
142.07799	1.3
143.08556	9.9
145.04968	5.5
145.06468	3.6
145.10117	37.7
147.08107	6.3
147.11687	46.1
148.12038	2.4
149.09656	2.1
151.07515	1.8
153.05493	1.7
155.08530	3.6
157.10124	5.8
159.08047	4.4
159.11702	9.2
161.09618	7.2
161.13312	2.5
163.11243	5.6
165.07085	2.0
167.08588	2.8
167.10670	12.7
169.10144	4.4
171.08046	2.1
171.11694	5.3
173.09586	4.8
173.13290	6.0
175.07571	1.6
175.11172	12.0
175.14832	3.1
179.08556	3.1
180.09290	2.0
181.10152	3.6
183.11705	6.5
185.09583	1.6
185.13197	6.0
187.07542	3.3
187.14870	2.3
189.09216	2.0
189.12721	1.4
193.10106	6.1
194.10976	1.5
195.11745	3.8
197.09607	2.5
197.13269	6.0
199.11102	2.2
199.14850	3.8
205.10202	2.9
206.11052	1.5
207.11766	3.2
209.09673	1.9
209.13266	5.9
211.14854	7.6
213.12729	1.9
213.16272	1.6
217.12218	1.4
217.15768	1.3
219.11755	2.0
220.12404	2.2
221.09660	1.9
221.13275	3.0
225.12762	2.8
225.16446	2.1
227.14301	2.9
230.10899	1.8
233.13365	1.5
235.14792	11.8
237.12752	29.6
238.13196	2.3
239.14388	7.7
241.16052	1.3
245.13170	2.2
248.12016	3.0
253.15852	9.7
263.14325	14.2
269.18991	1.7
271.17053	2.8
281.15359	28.2
283.17575	1.4
283.20667	3.3
293.19098	1.8
299.16400	30.6
300.16806	2.9
311.20193	5.7
317.17474	31.8
318.17813	1.8
319.19226	1.5
329.21158	8.2
335.18488	21.1
347.22275	3.1
353.19522	7.0
383.26151	1.7
397.27203	2.5
407.25882	2.7
415.28439	1.5
425.26868	20.2
426.27084	2.0
443.27887	33.0
444.28278	3.7
461.29044	17.8
462.29059	1.7
477.99881	1.3
479.29990	9.0
497.31088	100.0
498.31494	9.7
623.33630	1.5
659.35864	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09650	0.7
60.49872	0.8
67.05489	1.3
69.03439	0.9
69.07053	0.8
79.05525	0.8
81.07076	0.8
89.06051	1.2
93.07058	0.7
95.08617	1.1
105.07068	0.7
106.98464	0.7
109.10204	0.8
109.34445	0.7
109.83693	0.8
124.36644	0.8
169.04704	8.0
364.22174	0.7
395.76089	0.7
439.26779	2.5
441.28262	3.0
522.89746	0.8
652.61627	0.8
659.41266	100.0
660.41693	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	660.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	2.5
55.05517	2.2
57.03442	7.1
61.02926	7.8
67.05505	6.1
68.11587	0.6
69.03433	17.6
69.03813	1.0
69.07071	2.6
69.74851	2.6
71.01361	0.6
71.04991	2.5
73.02918	2.5
79.05486	5.2
81.03420	8.2
81.07066	15.9
83.01369	0.8
83.04997	1.2
83.08620	1.5
85.02908	100.0
86.03244	1.3
87.04456	1.8
91.03955	4.2
91.05481	8.5
93.07050	12.8
93.44971	0.7
95.04970	2.1
95.08607	13.2
97.02898	26.9
97.06534	1.1
97.10168	0.9
99.04461	4.8
101.02386	1.3
105.07037	25.0
107.04986	1.2
107.08598	22.1
109.02881	9.6
109.06541	1.3
109.10155	14.1
111.11739	1.8
115.03952	1.1
115.05428	1.6
116.10755	0.9
117.07017	3.8
119.08585	29.3
120.08952	0.8
120.72491	0.7
121.06532	1.1
121.10137	11.7
121.79459	0.7
123.04413	0.7
123.11765	3.5
125.09670	1.7
127.03919	25.2
129.07019	2.4
131.08554	12.4
133.10127	12.3
133.11052	1.1
135.08102	0.9
135.11697	5.3
139.11208	1.5
141.07004	0.8
143.08588	5.9
145.04967	39.7
145.10133	18.8
145.11263	1.3
147.11696	19.9
148.12041	0.9
149.13246	5.5
151.11206	1.1
155.08592	1.4
157.10085	5.9
159.11699	11.9
161.09610	0.7
161.13263	11.3
163.06030	19.6
163.11237	1.1
163.14847	2.1
165.12727	0.9
169.10156	1.2
171.11707	3.8
173.09705	0.9
173.13254	7.3
175.14796	4.3
179.10640	3.5
179.86977	0.7
183.11760	2.6
183.55238	0.9
185.08115	0.8
185.13275	4.3
187.14873	1.7
191.10638	1.4
193.12257	4.4
195.11722	1.0
197.13297	1.0
199.14821	10.8
201.16435	2.3
205.12321	1.9
207.13872	1.9
213.16385	5.0
215.14500	0.8
215.18011	2.2
219.13838	1.1
223.14796	1.0
227.14322	1.0
227.17978	4.3
229.19557	1.1
241.19473	0.8
245.15401	4.9
247.17171	0.7
250.28085	0.7
255.21080	52.7
256.21429	4.6
257.22647	1.3
259.16943	1.7
266.74664	0.7
271.06009	4.6
272.06454	3.7
273.18289	1.1
273.22198	4.4
276.93521	0.7
283.20581	11.5
284.20932	0.8
287.20227	0.9
289.09186	1.4
297.22113	0.8
301.21622	77.1
302.21985	5.2
319.22687	21.3
320.23108	1.3
325.11227	3.4
325.21503	1.2
343.22797	2.3
351.23242	1.6
355.22513	1.0
363.23853	0.9
367.23001	1.4
381.24390	1.4
385.23975	1.4
391.22568	1.0
397.23941	2.5
409.23676	3.4
417.26526	1.3
427.24808	6.5
445.25928	7.8
463.26965	6.0
481.27969	8.6
607.31372	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	5.1
55.05510	30.0
57.03447	12.7
57.07074	42.7
60.39175	4.5
64.17583	4.1
67.05506	99.6
69.07080	23.3
69.18412	32.6
71.04989	5.0
71.08637	41.0
79.05497	24.7
81.07062	57.2
83.05006	7.2
83.08643	29.1
85.10191	17.6
91.05468	23.2
93.07060	36.2
95.04947	6.1
95.08625	51.4
97.06555	6.8
97.10181	18.9
99.08136	5.8
105.07040	12.5
107.08582	23.2
109.06528	4.5
109.10162	65.5
111.08076	9.1
119.08551	8.6
121.10175	13.9
125.09691	9.1
131.08551	5.6
133.10175	6.4
135.11707	5.3
137.13153	5.0
139.33369	5.7
149.13240	10.1
173.11734	12.0
212.62575	5.0
227.12814	14.4
229.14355	66.9
269.17380	26.3
277.21609	13.6
291.19562	10.3
313.27353	100.0
314.27728	13.2
315.71722	4.7
335.26031	7.3
351.25345	14.8
369.26117	6.6
411.34598	8.5
467.37137	49.0
468.37671	10.0
507.40140	33.4
571.70581	5.6
589.48297	13.1
607.49365	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	661.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94134	1.7
57.08331	1.6
58.69457	1.4
59.19480	1.5
67.05479	1.5
70.63679	3.8
81.84496	1.6
85.02915	2.4
91.05471	2.8
93.07050	1.5
95.04946	1.6
103.05501	1.9
105.07021	5.3
107.04929	2.6
117.07002	2.0
118.04170	2.9
121.06500	2.0
127.00105	2.4
133.06500	4.8
134.07384	1.5
137.05977	5.2
149.05943	2.6
150.06801	1.9
161.05949	2.4
165.09064	2.4
167.07069	5.0
172.03909	1.6
179.07079	1.8
181.04984	5.8
181.08630	1.6
193.08649	8.9
201.05345	2.6
203.05296	2.1
209.08167	4.4
216.07576	19.0
217.15872	2.6
223.70480	1.6
233.08119	3.8
243.11342	6.0
244.11557	2.2
245.06314	3.1
260.08725	1.9
271.04355	1.8
285.12460	1.8
289.05243	20.8
303.13278	1.7
353.10150	1.9
385.12787	4.9
575.20959	6.8
617.21997	47.4
618.22168	6.1
661.20947	100.0
662.21234	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	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34924	0.5
70.82504	0.6
71.07543	0.9
91.05524	0.8
123.02630	0.6
123.15532	0.7
131.08675	0.5
134.14922	0.5
145.10265	0.7
253.88010	0.6
332.83136	0.6
369.10724	0.6
387.14465	0.7
392.16055	0.8
401.16333	1.9
405.15753	0.7
408.19406	0.8
413.16409	0.7
414.13242	1.2
415.13834	1.5
415.18445	1.0
416.14398	1.1
416.19043	1.2
417.15775	1.6
419.17682	1.3
428.14917	1.4
429.15610	9.6
430.16141	4.6
431.17191	8.3
432.17798	1.8
434.17380	0.6
435.17780	0.6
441.15759	2.2
442.16553	2.3
443.18076	4.9
444.18103	11.0
445.19229	4.1
446.19244	0.6
454.16415	4.3
455.16864	3.4
456.18607	3.7
457.14413	19.1
458.15598	3.6
459.17004	1.2
462.19443	0.9
467.17551	1.2
468.18240	1.6
469.18967	5.8
470.19263	0.9
471.16321	8.5
472.17426	29.4
473.17972	7.0
475.19656	0.9
482.16302	1.6
483.16397	1.0
484.17633	0.9
485.18723	1.0
488.17365	0.7
496.17816	1.3
497.18314	4.7
498.18655	1.1
499.15576	1.1
500.16592	3.2
501.17746	1.7
513.18384	0.8
514.18585	0.9
515.19421	4.1
516.20032	2.2
524.16754	1.6
528.20532	0.9
530.21558	1.8
531.22491	11.6
532.22095	1.8
548.22339	0.8
549.22607	0.7
556.19855	2.9
557.20062	1.4
559.21906	58.4
560.21997	10.8
569.19965	1.4
577.23260	1.2
587.21368	5.6
588.21460	1.0
590.23578	1.3
597.20032	1.6
618.23376	6.3
619.24023	100.0
620.24231	15.9
629.22638	8.7
630.22845	2.3
643.24103	1.0
661.25012	83.7
662.25366	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38287	1.7
64.40910	2.1
69.73088	5.2
69.73500	3.4
79.30499	1.8
91.67866	2.0
94.36948	1.9
98.22671	2.4
101.16113	1.7
113.40395	1.6
121.85831	1.7
134.74600	1.9
161.42531	1.9
206.83461	2.1
220.22075	1.9
387.14456	3.3
392.15872	2.4
393.10156	1.9
401.16116	4.9
415.17749	8.0
416.14835	5.0
419.17334	5.6
428.14850	2.3
429.15771	10.3
430.16245	6.9
431.17209	26.6
432.17612	3.6
442.12646	2.9
443.18240	11.8
444.18671	10.1
445.19049	2.1
447.16629	2.3
453.15851	3.7
456.14243	3.7
457.14975	38.8
458.15591	7.6
468.18234	3.0
469.18967	2.9
471.16486	13.9
472.17395	22.5
473.18375	4.2
474.15201	2.4
475.20337	4.7
482.15674	2.2
485.14346	2.6
488.17828	3.2
489.17645	6.2
496.17572	4.2
497.18036	8.8
503.19397	5.4
504.20465	3.0
514.18518	2.8
517.20532	2.6
524.17310	2.3
528.19934	4.7
531.22583	3.0
543.18597	2.4
556.19501	3.9
558.21198	4.3
559.21893	4.2
569.19690	2.6
587.21515	3.8
588.97766	2.2
590.23492	9.4
597.19702	5.1
601.22882	2.0
618.23236	57.8
619.23944	44.2
620.24121	3.9
629.22455	31.4
630.22461	4.5
661.24969	100.0
662.25403	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
57.03418	5.2
57.07084	23.7
61.55669	3.5
63.60250	3.5
64.34010	3.8
64.58870	3.2
65.03954	3.3
66.41982	3.4
66.67319	3.2
67.05509	15.2
68.54665	3.3
69.07082	9.9
70.13316	3.1
70.73737	7.2
71.08637	18.1
79.05505	7.1
81.07063	19.0
85.10197	8.3
87.04496	12.7
91.05469	4.3
93.07075	7.6
95.08593	26.2
97.06533	3.9
109.06522	10.7
109.10138	7.7
118.98396	4.2
119.08598	7.0
121.09288	3.8
121.10128	6.7
123.08085	23.3
133.10199	4.1
135.08049	16.7
143.19333	4.2
177.12674	5.7
179.14330	28.4
205.15945	6.4
258.11597	3.9
272.47934	3.8
303.26892	9.7
313.27505	25.5
331.26328	100.0
332.26593	7.8
405.30099	10.6
551.61218	4.3
661.54150	82.0
662.53979	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	662.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	8.9
67.64230	7.2
69.03445	8.9
71.31648	7.7
72.98583	7.3
79.05487	11.2
81.07032	10.1
83.04993	40.5
85.02906	69.6
91.05494	25.0
93.03402	12.6
93.07067	9.8
95.08615	20.3
97.02904	13.1
103.05476	14.5
105.07055	14.4
106.04191	19.1
107.04955	14.4
107.08605	14.0
109.10093	7.9
111.04458	29.3
119.08624	9.5
120.08051	7.5
121.06522	15.4
121.10104	8.5
123.04427	8.7
125.05936	7.9
127.03925	13.2
129.05446	12.5
133.06508	11.0
137.05981	10.9
148.05193	11.8
149.05969	41.9
161.05971	9.3
163.07578	8.6
167.07083	47.7
168.36305	7.3
171.06520	68.8
172.84030	8.3
173.05821	8.2
173.13318	11.2
177.05533	19.4
181.04976	43.2
181.08630	18.7
189.07533	47.5
191.07001	48.7
203.14371	13.2
209.08061	100.0
210.08493	11.8
217.15710	8.3
260.40857	7.6
280.85199	8.5
355.12570	8.3
405.31567	8.1
417.15762	9.5
460.03470	7.9
469.32919	7.7
487.34213	10.1
521.20538	10.6
532.63708	7.9
662.20972	9.8
663.22278	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77872	2.0
55.05520	2.7
57.07069	2.7
61.07784	2.2
62.08112	2.2
67.05513	10.0
79.05494	3.9
81.07077	6.7
87.04482	14.7
91.05463	3.2
93.07067	4.4
95.08630	3.4
98.23441	6.4
105.07037	3.5
107.08590	4.8
107.42822	2.1
119.08673	2.8
131.08684	2.1
138.00977	2.3
169.81665	2.4
175.93443	2.1
208.38098	2.2
230.44043	3.6
264.26492	2.3
275.20062	2.4
335.25964	3.2
419.18484	2.8
433.24094	6.4
444.19440	5.1
445.19940	6.5
446.16626	3.3
447.18176	6.7
448.18655	3.1
459.21841	56.1
460.22565	17.0
461.23431	6.9
473.23666	3.3
475.21466	21.2
476.21881	6.5
519.23749	13.7
531.23120	4.8
533.21661	5.0
535.23651	3.9
547.27289	33.7
548.27490	3.8
574.25397	2.8
591.25543	5.5
593.23785	9.4
605.27283	3.4
606.28339	100.0
607.29108	16.8
622.17493	3.7
622.27838	69.1
623.27948	7.9
662.29822	12.7
662.39832	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	662.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58508	11.2
55.05499	30.6
57.03422	16.4
57.07077	24.8
67.05514	56.1
69.07072	24.1
71.32560	13.6
79.05509	57.0
81.07060	48.8
83.08643	17.4
87.04468	100.0
91.05496	51.7
93.07053	41.2
95.08610	56.3
95.43105	11.5
95.43718	13.0
97.10154	11.3
105.07014	39.7
107.08578	58.4
109.06521	15.0
109.10136	13.0
117.07061	19.7
118.47934	10.4
119.08583	27.5
121.10133	22.6
125.09643	19.6
131.08632	14.5
135.40736	10.5
145.10167	32.8
147.11732	20.0
159.11720	16.2
185.13205	12.3
227.12929	30.9
257.18985	19.0
261.22079	16.2
275.20096	44.7
316.09464	13.2
335.25677	61.4
349.23666	38.0
505.34546	15.8
551.46582	12.5
609.44836	36.9
662.25311	12.2
663.44550	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.9
55.01870	8.7
55.05515	39.1
57.03440	19.0
57.07066	3.7
65.03922	8.2
67.05511	90.6
69.03419	4.3
69.07074	33.7
69.16743	22.8
71.04990	3.7
72.01658	2.9
73.10706	3.2
79.05500	86.6
81.06579	5.4
81.07060	100.0
83.04966	8.2
83.08621	18.7
85.06534	3.2
87.04471	10.3
91.05482	61.5
93.06474	4.2
93.07046	65.4
95.04966	10.0
95.08612	67.5
97.06522	9.6
97.10145	16.1
98.09734	2.7
99.08076	5.0
104.90652	2.6
105.04455	3.0
105.06378	4.2
105.07037	61.6
107.04951	4.3
107.08588	49.0
109.06518	10.1
109.10159	30.7
111.08083	5.2
117.07004	20.6
119.08586	36.6
121.10146	31.7
123.08075	5.2
123.11703	5.8
125.09620	11.0
129.06996	7.7
131.08578	28.1
133.10138	25.7
135.08060	5.2
135.11687	13.0
137.09576	4.7
143.08546	6.7
145.10126	27.8
147.11697	20.3
149.09602	9.5
149.13242	8.7
157.10063	3.6
159.11713	17.9
161.13277	9.5
163.11151	4.5
165.12682	4.0
169.10204	3.3
171.11632	3.0
173.11812	5.1
173.13277	7.4
175.14832	4.4
183.11745	3.1
185.13210	6.2
187.14806	4.5
189.11256	6.9
197.13266	3.6
201.16425	3.5
203.14313	3.4
212.75160	3.0
219.17458	3.3
227.12761	27.6
229.14284	4.3
238.83232	2.9
239.18076	7.5
243.21136	3.0
257.18988	11.0
259.20526	2.7
261.22162	12.0
267.15869	6.6
275.20078	51.0
276.20108	4.5
288.18414	2.7
315.53174	2.6
335.21777	4.3
335.25827	78.0
336.26501	3.7
349.23764	29.8
489.35895	17.3
505.35049	3.6
513.38916	4.3
532.73969	3.2
568.68048	3.4
569.41809	4.1
586.44769	4.3
609.45276	27.6
626.47076	3.6
627.46075	5.6
662.46631	3.8
691.02063	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.05512	29.9
56.35726	4.5
57.03429	14.2
57.07070	15.1
67.05508	100.0
69.07069	28.8
69.59089	20.6
71.04969	4.8
79.05495	86.4
81.07057	77.2
83.04968	7.4
83.08619	12.9
85.06532	9.8
87.04472	45.7
91.05476	55.8
93.07048	78.3
95.04971	11.4
95.08604	64.8
97.06545	8.7
97.10173	5.7
105.07047	39.1
107.08601	40.2
109.06509	7.8
109.10194	26.3
110.72894	4.4
117.07021	18.3
119.08579	32.0
121.06484	4.8
121.10137	35.4
123.11716	6.7
129.07008	8.3
131.08580	28.8
133.10118	25.8
135.08096	4.3
135.11702	16.5
143.08609	5.9
145.10115	20.0
147.11665	13.5
149.13235	10.8
157.10146	6.4
159.11722	14.3
161.13251	6.8
163.14867	4.6
171.11588	8.0
173.13289	6.9
180.73071	4.3
183.11775	8.4
195.13809	6.3
239.18007	4.2
257.19040	9.3
261.22104	11.8
269.17575	7.7
275.20047	19.2
277.21527	5.8
327.07599	4.9
331.26440	4.8
335.25812	62.8
336.26160	4.6
349.23621	13.7
351.25748	5.0
383.14005	4.6
439.20541	4.9
495.26407	9.7
515.37177	5.3
529.38873	39.8
530.39355	5.7
551.32886	6.5
569.41724	16.9
609.45062	9.5
663.46979	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	663.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46725	0.4
59.04988	0.5
67.05514	0.5
69.13194	2.6
70.62915	0.4
75.82392	0.4
79.05482	0.6
81.07064	0.7
83.04993	0.7
91.05482	0.8
93.07059	0.7
95.01115	0.5
95.04965	0.6
95.08588	0.5
96.01867	0.5
105.07029	0.5
107.08600	0.6
109.06543	0.5
109.10158	0.6
113.02131	0.9
119.08659	0.6
159.11703	0.6
165.09128	0.6
169.04729	0.6
185.04160	2.3
201.03755	1.1
219.09961	1.6
244.58713	0.5
245.06369	0.6
255.94659	0.4
318.55798	0.5
339.15549	0.7
347.09674	1.1
363.09085	5.8
365.10696	1.8
408.17783	0.4
467.07526	0.4
470.40402	0.5
498.15677	0.5
501.21094	1.3
530.97595	0.5
663.26227	100.0
664.26575	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07827	0.8
54.70346	0.7
72.90675	0.7
84.95230	0.7
87.04469	2.4
95.08610	1.6
105.07052	0.9
184.07343	1.7
434.35602	0.7
461.25168	7.9
463.26770	2.0
663.38647	100.0
664.28552	1.1
664.39099	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05468	0.4
57.07077	43.2
57.07477	1.2
58.07353	0.5
63.84253	0.4
67.05450	0.5
69.16490	1.1
69.16913	2.5
73.39442	0.4
75.86369	0.3
77.03961	0.9
79.05475	0.5
87.04420	0.6
91.05486	6.1
93.07034	0.5
95.04942	0.9
96.00723	0.4
98.22530	0.8
105.07055	2.0
107.08604	0.6
114.21302	0.4
119.08525	1.1
120.62727	0.4
132.09300	0.4
147.11700	4.8
152.06181	1.6
153.06996	3.6
171.07939	0.8
175.01472	0.6
198.06126	0.4
228.09346	1.0
229.10068	1.0
233.03607	5.8
251.04683	13.3
252.05011	0.6
269.97739	0.4
307.10916	1.9
309.06982	0.5
327.07779	91.9
328.08109	5.7
363.17026	0.7
383.14053	65.8
384.14355	6.1
439.20340	59.6
440.20645	6.8
495.26559	79.3
496.26840	10.6
551.32843	100.0
552.33209	17.2
602.92096	0.5
607.39069	59.4
608.39441	11.8
663.45313	11.1
664.45819	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03938	1.3
55.01865	0.5
55.05507	3.1
57.07069	0.6
65.03941	0.5
67.05502	5.5
69.03427	3.6
69.07065	2.4
71.04993	1.0
71.31929	0.7
79.05489	5.7
81.03407	3.3
81.07058	13.3
83.04974	1.4
83.08604	0.7
85.02905	25.7
85.06541	1.0
87.04477	0.8
91.05480	9.1
93.07044	6.4
95.04962	1.8
95.08603	5.4
97.02879	1.6
97.06539	1.1
97.10154	0.5
99.04496	0.6
103.05463	0.7
105.07032	15.0
106.07337	0.7
107.08595	6.5
108.08868	0.5
109.02885	0.7
109.06531	3.5
109.10152	5.3
111.04446	0.6
111.08041	0.8
115.05457	0.7
116.06221	0.6
117.07019	4.5
119.08580	21.0
120.08897	0.8
121.06521	0.9
121.10152	5.2
121.84791	0.4
123.08121	2.2
123.11707	29.8
124.12045	1.1
125.05995	2.2
125.09607	0.8
125.89874	0.4
127.03941	0.8
128.06195	1.1
129.07008	1.8
130.07811	1.9
131.08566	6.0
133.06488	8.1
133.10127	3.2
135.08092	0.4
135.11703	1.2
139.11201	0.6
141.05444	0.5
141.06981	1.4
143.08609	2.6
145.06558	0.7
145.10124	21.4
146.10510	0.6
147.08046	2.8
147.11684	32.6
148.12004	1.4
149.09587	3.1
149.13315	0.5
151.07556	0.8
155.08519	0.6
156.09348	5.7
157.10110	0.8
159.08041	1.8
159.11713	1.7
160.08783	1.0
161.09631	0.8
161.13254	1.6
163.11200	0.9
163.14777	0.5
165.12715	1.1
167.10664	0.9
171.11693	6.8
173.13240	0.9
174.10452	2.0
183.11679	0.6
185.13168	0.6
187.14940	0.5
189.12744	100.0
190.13060	5.0
191.14287	0.4
207.13802	24.6
208.14156	1.2
224.16473	0.5
225.14781	3.9
225.16475	0.4
231.13795	0.4
255.52608	0.4
319.22620	0.4
351.23120	0.5
369.24158	1.0
387.25192	0.8
405.26331	1.2
473.67401	0.4
665.21753	0.6
665.34937	0.5
683.56873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17281	3.3
53.03951	5.3
55.01878	6.3
55.05514	26.4
57.03436	13.9
57.07072	10.9
65.03954	3.7
67.05508	87.7
69.07069	31.8
69.30073	26.9
79.05492	49.4
81.07059	100.0
83.04992	7.7
83.08613	22.5
85.06535	6.5
91.05482	44.5
93.07041	44.7
95.04979	6.1
95.08607	58.4
97.06548	9.0
97.10183	7.0
105.07051	35.4
107.04968	4.8
107.08606	26.2
109.06485	4.0
109.10159	31.1
111.08073	6.7
117.07013	13.5
119.08594	25.3
121.10164	22.3
123.11751	6.5
125.09656	4.2
128.06151	3.7
131.08574	18.6
133.10124	22.5
135.11697	10.5
143.08545	6.7
145.10162	7.1
147.11710	9.5
149.13277	7.8
159.11745	9.6
161.13281	6.3
175.14964	4.1
219.17427	3.8
257.18967	5.8
269.17447	6.7
275.20093	13.9
327.07797	6.0
337.27365	64.7
349.23776	10.3
384.14230	4.6
486.27921	4.3
491.37424	5.6
496.26868	8.4
517.38660	6.8
531.40234	28.3
532.40997	6.7
552.32550	10.4
571.43341	13.6
587.84009	4.0
611.46667	7.7
664.48914	22.0
665.48236	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	664.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
55.05515	29.0
56.74667	3.2
57.03443	11.4
57.07074	13.1
67.05136	4.8
67.05507	100.0
69.07072	28.8
71.04983	4.9
71.08652	5.2
71.24603	4.3
79.05497	49.5
81.07059	78.5
83.04977	9.0
83.08633	17.8
85.06544	5.5
91.05482	34.0
93.07043	56.9
95.04963	15.0
95.08611	52.0
97.06535	5.9
97.10197	10.6
105.07018	21.3
107.08604	36.1
109.10160	28.8
111.08109	7.9
117.07043	14.5
119.08586	17.4
121.10171	16.7
123.11710	9.1
125.09644	8.4
131.08577	13.3
133.10156	16.8
135.11725	9.3
145.10190	5.9
147.11757	8.2
149.13290	10.7
151.11232	4.8
159.11705	11.2
161.13278	4.7
165.12735	3.6
173.11763	7.1
173.13293	4.6
187.14871	3.9
227.12865	13.8
229.14421	6.5
261.21985	6.5
269.17477	11.5
275.20209	12.5
277.21533	9.5
327.07693	6.3
328.08197	8.4
335.25824	22.1
337.27322	24.9
349.23764	9.0
351.25345	7.7
384.14331	5.1
386.14633	5.1
489.35986	16.9
491.37671	10.2
511.36407	5.7
529.39093	25.8
530.38916	4.6
552.33014	7.9
611.46381	14.6
664.48151	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	664.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
53.78092	3.3
55.01880	6.1
55.05512	36.0
57.03441	16.3
57.07071	8.2
60.04519	8.0
67.05506	100.0
68.18484	3.4
69.03416	4.0
69.07072	31.8
71.04987	4.1
71.08633	13.8
79.05493	48.6
81.03425	3.9
81.07059	93.8
83.04999	5.2
83.08629	18.8
91.05477	38.7
93.07056	53.0
95.04975	6.1
95.08604	56.7
97.06551	7.1
97.10175	22.8
98.22552	7.1
99.08098	7.9
105.07025	40.8
107.04949	5.1
107.08597	36.5
109.06521	7.4
109.10155	27.3
117.07032	11.0
119.08575	28.8
121.10162	23.8
123.11724	9.8
125.09650	18.9
126.86210	3.6
129.07068	4.4
131.08540	16.3
133.10143	18.8
135.08115	3.3
135.11697	10.2
145.10121	11.4
147.11671	17.2
149.09680	7.7
149.13289	4.5
157.10114	4.8
159.11688	10.6
161.13255	10.3
163.11253	6.1
166.29814	3.4
171.11790	3.3
173.13248	6.3
176.48900	3.0
185.13292	10.1
189.11211	10.3
203.14334	4.4
219.17432	8.3
227.12759	31.3
228.33067	3.4
228.92322	4.2
239.18069	4.0
259.20490	5.2
261.22241	5.6
262.30417	3.1
267.15939	7.6
274.64288	3.6
275.20084	26.5
277.21808	4.3
335.25842	12.2
337.27362	64.9
349.23859	20.8
351.25360	4.1
457.90106	3.5
489.35608	5.4
496.27084	3.3
507.36700	9.2
519.42218	3.5
547.40063	5.8
607.28760	5.0
608.29919	8.1
611.46661	36.1
612.46533	5.5
629.47522	3.9
646.53479	7.9
665.49298	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	665.1715
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.93697	0.0
53.03928	0.1
55.01869	0.2
55.05511	0.2
57.03438	0.4
61.02919	0.1
65.03954	0.0
67.01874	0.6
67.05511	0.2
68.25410	0.0
68.99761	0.4
69.03430	0.5
69.07076	0.2
71.01344	0.1
71.04595	0.1
71.04996	1.7
71.30872	0.1
73.02905	0.2
75.04482	0.1
79.05495	0.1
81.03420	0.5
81.07050	0.3
83.04977	0.5
84.08150	0.1
85.02907	2.8
87.00824	0.4
87.04457	0.1
91.05489	0.6
93.07050	0.3
95.04972	0.2
95.08601	0.2
97.02876	0.4
97.06533	0.2
99.04460	0.2
99.08173	0.1
101.45738	0.1
102.05553	0.1
103.03934	0.1
105.01852	0.3
105.07042	0.4
107.04965	0.1
107.08589	0.3
109.02870	0.5
109.06523	0.1
109.10136	0.1
111.00808	0.1
111.04459	0.4
111.08092	0.2
115.05388	0.1
117.05482	0.1
117.07007	0.1
119.04942	1.7
119.05755	0.1
119.07790	0.1
119.08550	0.3
121.02872	0.7
121.06548	0.1
121.10143	0.1
121.33730	0.1
123.08077	0.1
123.11710	0.1
125.05981	0.1
127.03920	0.8
129.01842	0.3
129.05492	0.6
130.31549	0.1
133.10196	0.3
135.08049	0.1
137.05975	0.1
139.07573	0.1
145.02832	0.7
145.04939	0.3
145.06506	0.1
145.10083	0.1
147.02867	0.1
147.06544	0.1
147.11658	0.2
149.73605	0.1
153.01828	4.3
154.02129	0.1
157.10141	0.1
159.02887	0.1
161.06021	0.1
163.03911	0.4
163.11075	0.1
165.12772	0.1
167.07042	0.1
169.06648	0.1
169.12222	0.2
171.02899	0.6
171.06419	0.1
175.07402	0.1
175.11212	0.2
175.14845	0.2
181.04926	0.1
187.03926	0.1
189.03922	0.2
189.12701	0.1
193.12267	0.2
203.07034	0.2
211.13264	0.2
213.03961	0.1
217.12250	0.2
225.05455	0.4
229.04964	0.3
231.04932	0.3
235.13286	0.2
237.07832	0.1
243.06494	0.3
247.06090	0.1
253.14351	0.2
255.08591	0.1
271.06000	100.0
272.06345	6.5
287.05414	0.1
296.31888	0.1
313.07059	0.2
399.16324	0.1
433.11166	0.1
475.11996	0.1
492.72318	0.1
501.09933	0.1
519.11414	0.6
579.17084	0.3
665.16553	0.7
665.25378	0.1
666.17542	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	665.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52515	2.1
69.52914	1.6
73.59512	0.6
92.99355	0.7
105.07009	0.7
105.43674	0.7
119.07751	0.6
137.06013	1.0
161.06001	1.0
177.05344	1.3
183.89519	0.7
204.03917	0.8
217.04689	1.3
226.05855	0.6
231.06348	2.0
247.05827	1.6
248.06694	0.8
254.41429	0.7
271.06284	0.8
287.08926	1.1
319.90771	0.6
371.11081	2.8
371.15472	0.7
401.12152	10.8
425.12347	5.3
439.13452	0.7
440.14435	42.0
441.15073	10.0
478.68066	0.7
481.17145	1.4
634.19965	1.1
635.21149	4.3
648.63617	0.8
665.22009	100.0
666.22357	13.5
666.32910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80601	0.2
55.05518	0.3
67.05520	0.3
69.37337	1.0
69.37745	0.5
81.07076	0.4
91.05482	0.3
93.07057	0.4
95.05005	0.5
95.08595	0.6
97.06514	0.2
105.07053	0.5
106.51933	0.2
107.08624	0.5
109.06528	0.2
109.10212	0.3
119.08597	0.7
121.10179	0.2
123.08030	0.4
131.08607	0.3
133.10153	0.4
143.08673	0.2
145.10165	0.3
151.07607	0.4
159.11655	0.4
181.12390	0.3
625.96759	0.3
665.22174	100.0
666.22449	21.9
666.34131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2775
Annotation	Alopecurone E
Peak:m/z	Relative Intensity
52.59610	0.5
56.11829	0.4
65.03929	0.5
67.05509	0.9
68.99221	0.4
69.03426	0.9
69.07052	0.4
69.43394	1.1
69.43789	0.7
79.05491	0.8
81.07066	1.4
85.02904	1.9
85.43370	0.4
87.00850	0.8
91.05490	1.2
93.07073	1.7
95.08624	1.4
97.02911	0.7
98.23317	0.8
105.01895	0.6
105.07056	2.8
107.08602	1.2
109.02786	0.5
109.10166	1.1
111.00581	1.8
115.05464	0.4
119.08612	1.3
121.06502	0.5
121.10099	0.6
127.03938	1.0
128.16034	0.5
131.08624	0.6
131.55328	0.4
133.06528	1.1
133.10159	1.0
135.11710	1.3
137.05968	4.1
141.30360	0.4
143.08601	0.6
145.10167	0.5
147.11717	1.0
161.05991	6.0
167.07126	0.5
184.05060	0.5
199.07610	0.8
201.16570	0.6
202.07791	0.9
202.16777	0.4
203.08611	1.0
203.14281	0.7
203.18028	1.3
215.06784	0.5
217.04753	0.7
231.08022	2.8
231.10007	0.4
232.07005	4.1
233.07863	1.2
241.11969	0.4
245.06000	0.4
247.07605	0.6
248.08441	1.4
249.14821	0.6
251.12581	1.1
259.07611	2.0
260.08438	1.6
263.10672	1.0
265.08722	0.8
270.66797	0.4
275.07101	0.6
276.07947	0.9
291.10135	6.7
293.13730	0.4
308.10547	0.5
309.11246	1.7
311.14670	4.6
315.04773	0.3
323.12769	8.2
335.57590	0.4
341.13824	1.4
353.15845	1.0
393.18747	2.0
395.16910	1.3
439.19492	0.5
455.18906	8.2
580.01337	0.4
594.24261	0.4
603.27942	1.8
605.25012	0.8
647.25824	0.7
665.27777	100.0
666.27985	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	665.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
67.01871	0.6
67.05499	0.4
68.99800	0.2
69.03434	0.2
69.07095	0.2
69.12447	0.7
69.12885	0.6
79.05496	0.5
79.08334	0.2
81.07065	0.4
83.04987	0.2
91.05472	0.8
93.07057	0.9
95.04980	0.3
95.08617	0.5
97.02195	0.2
97.06528	0.2
98.22531	0.3
104.20603	0.2
105.07046	0.5
107.08583	0.4
108.00301	0.2
109.06538	0.3
117.06902	0.2
119.04945	1.9
119.08588	0.6
121.02887	0.7
121.10131	0.4
123.08076	0.6
131.08618	0.2
133.10158	0.4
135.08037	0.2
137.09709	0.2
143.08551	0.2
145.02847	0.9
145.10164	0.6
149.09673	0.2
151.07550	0.4
153.01834	4.6
154.02249	0.3
159.11748	0.2
163.03938	0.4
163.11176	0.4
165.09105	0.2
171.02913	0.6
181.12247	0.4
197.06126	0.2
221.15399	0.4
225.05515	0.5
229.04956	0.2
243.06473	0.3
271.06021	100.0
272.03409	0.3
272.06372	6.1
399.22684	0.2
486.28601	0.2
501.29556	0.2
647.23694	0.2
665.27014	0.5
665.43909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51072	1.2
51.02388	1.7
53.03951	7.9
55.01872	4.7
55.05503	8.0
56.10435	1.4
56.67027	1.2
57.03442	5.6
57.89767	1.1
61.02929	4.9
65.03934	3.8
67.05508	36.6
68.99814	2.2
69.03432	22.4
69.07058	10.8
71.04985	4.1
73.02919	4.5
74.78519	1.2
79.05493	23.5
81.03423	14.2
81.07059	73.4
83.04998	2.5
83.08631	3.8
85.02905	62.9
87.00834	21.1
91.05478	29.6
93.07044	52.2
94.07376	1.6
95.04991	4.3
95.08611	80.8
96.08922	1.9
97.02889	21.9
97.10181	2.2
99.04466	6.0
105.01868	32.9
105.04511	1.5
105.07033	75.9
107.08599	77.7
108.08930	2.4
109.02884	14.8
109.06504	2.3
109.10157	63.7
115.03958	1.6
117.01894	2.0
117.07063	3.8
119.08590	50.8
119.09438	2.5
121.10144	26.4
123.11710	15.8
127.03915	34.3
131.00415	1.4
131.01439	1.4
131.08606	4.5
133.10132	29.5
134.10472	1.5
135.11693	16.7
145.04950	17.5
145.10159	4.1
147.02893	2.1
147.11691	54.7
148.12048	2.8
149.13264	4.5
151.11230	4.1
159.02914	5.2
159.11734	3.9
161.13260	19.8
163.14809	15.0
164.15182	1.7
175.14847	10.2
189.04008	1.6
203.17960	100.0
204.18263	6.4
213.03975	1.7
221.19084	8.1
226.47299	1.6
231.04947	10.6
238.16943	1.3
249.05965	7.4
307.41071	1.4
667.28528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01881	2.0
55.05511	17.5
57.03432	1.2
57.07078	3.6
61.02934	1.4
65.03936	3.2
67.05508	35.1
69.03432	8.3
69.07070	22.7
69.16193	0.8
71.04991	1.7
71.30428	1.0
73.02914	1.3
77.03947	1.0
79.05053	1.6
79.05499	20.3
81.03438	6.3
81.07061	52.3
82.07393	1.8
82.40736	0.9
83.04964	1.5
83.08614	6.6
85.02913	18.3
85.06551	2.5
87.00839	5.3
91.05484	32.8
92.05790	1.5
93.07048	100.0
94.07363	2.4
95.04964	4.8
95.08611	71.6
96.08950	2.1
97.02907	6.1
97.10159	4.1
99.04451	2.7
99.08117	1.4
103.05447	1.2
105.01878	8.2
105.04533	1.9
105.07033	75.0
106.07360	2.3
107.08600	82.5
108.08926	2.3
109.02895	4.4
109.06525	2.6
109.10158	91.6
110.10497	2.4
111.08089	1.5
111.11776	2.3
115.05510	1.3
117.07035	3.2
118.96922	0.9
119.08585	58.9
120.08873	1.8
121.06503	1.2
121.10145	38.1
123.08093	1.6
123.11714	18.1
125.09663	1.2
127.03915	8.8
131.08568	4.3
133.06459	1.3
133.10133	35.5
134.10471	1.2
135.11699	81.4
136.12036	3.2
137.05991	7.5
137.13268	1.6
139.11218	2.2
143.08589	1.7
145.04941	6.2
145.10126	7.4
146.03690	1.1
147.11691	75.5
148.12086	3.2
149.13234	6.2
157.10123	1.1
159.02959	1.0
159.11710	4.6
160.12457	1.1
161.06018	10.6
161.13258	23.4
163.06006	1.2
163.11073	1.0
163.14812	3.4
165.12822	3.2
173.13245	2.3
173.41412	1.1
175.14851	7.9
175.43542	0.9
177.16394	1.4
185.13251	1.3
187.14815	1.2
189.16452	1.2
199.07564	1.1
201.16440	1.6
203.08542	1.4
203.17961	92.6
204.18271	5.4
205.19527	3.1
207.14035	0.9
207.15981	0.9
221.19014	12.4
231.05035	3.5
231.08069	4.2
232.08920	1.5
248.08411	1.7
249.06082	3.2
258.06842	1.4
259.07544	2.6
260.08264	2.5
263.10687	2.1
276.08029	1.5
291.10190	13.9
292.10513	1.5
309.11246	3.7
323.12823	14.3
341.13928	2.1
424.85629	1.2
455.31305	1.5
485.32715	1.8
508.95398	1.0
666.28131	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	666.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	3.7
53.70900	1.5
55.01880	2.0
55.05516	12.2
57.03439	7.7
57.07082	5.7
61.02931	38.8
62.52482	1.4
63.30068	1.4
63.50434	1.2
65.03963	1.9
67.05508	67.2
69.03431	6.1
69.06747	1.9
69.07071	11.2
71.05008	5.3
73.02921	14.2
75.04441	1.5
79.05497	59.7
81.03429	4.2
81.07063	63.5
83.04973	2.0
83.08639	7.2
85.02912	45.3
85.06542	7.0
87.04481	1.7
91.03959	34.1
91.05483	29.6
93.07050	64.4
95.04959	4.2
95.08611	49.2
96.08958	1.8
97.02901	19.9
97.06522	6.5
97.10155	3.3
99.04471	2.5
99.08076	7.2
105.07047	20.5
107.08599	38.1
109.10162	34.6
111.08113	5.3
113.09613	2.7
114.09991	1.4
115.03934	3.1
117.07028	13.0
119.08590	19.2
121.10153	49.3
122.10572	1.5
123.08083	3.7
123.11716	19.6
123.12556	1.7
125.09644	3.2
127.03917	14.8
129.05522	1.8
131.08571	27.3
131.09509	2.8
132.08868	1.6
133.10136	25.7
134.10497	1.5
135.08112	2.0
135.11697	52.3
136.12065	2.2
137.09593	2.7
137.13251	6.8
139.11153	2.3
145.04964	17.4
145.10132	21.3
147.11711	13.0
149.09669	2.6
149.13261	25.9
149.14458	1.4
151.11227	6.0
159.11691	24.2
161.13280	4.0
163.06023	27.8
163.11198	4.3
171.11794	1.9
173.13257	20.1
177.12743	3.2
187.14833	6.2
189.16420	3.7
191.17937	1.8
205.15964	1.8
205.19510	9.7
215.17957	84.0
216.18396	5.1
228.68277	2.0
233.19009	100.0
234.19373	6.3
251.20134	5.8
256.57013	1.3
299.84158	1.4
307.22711	26.4
308.23135	2.0
325.19949	2.1
325.23752	36.5
326.24002	3.4
469.28049	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	666.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74585	1.4
53.03952	2.9
53.24489	1.4
55.01868	3.6
55.05513	11.5
57.03441	5.4
57.07077	5.7
58.75850	1.3
61.02930	37.1
65.03955	2.4
67.05507	46.1
69.03432	6.6
69.07061	6.5
69.09177	3.3
69.09583	11.9
71.04990	5.4
73.02930	13.2
79.05063	2.5
79.05497	47.2
81.03416	2.4
81.07059	49.6
82.04529	1.4
83.04950	2.2
83.08618	6.8
83.21420	1.3
85.02909	40.8
85.06541	6.4
86.06950	1.4
91.03958	41.4
91.05482	27.4
93.07050	58.7
95.04961	5.1
95.08614	36.0
97.02889	18.9
97.06539	5.3
99.04444	3.9
99.08093	6.3
105.07027	18.3
107.08595	35.2
109.06538	3.2
109.10162	22.9
111.08078	3.9
113.09660	5.2
115.03920	3.2
117.05352	1.6
117.07029	11.9
119.08572	20.6
121.06463	1.5
121.10155	39.8
122.10516	1.7
123.08083	3.1
123.11697	15.4
125.09661	2.4
127.03951	13.5
130.07861	1.7
131.08585	27.7
133.10130	25.1
135.08058	1.7
135.11702	48.9
137.09636	4.1
137.13280	5.3
139.11188	2.3
143.08562	2.9
145.04973	19.4
145.10133	21.4
147.11685	15.9
149.02365	2.3
149.09644	3.3
149.13271	26.6
151.07542	1.7
151.11259	3.3
157.10150	1.5
159.11717	21.2
161.13284	4.2
163.06024	28.0
163.11172	4.0
163.14792	2.3
167.10793	2.3
170.07457	1.5
173.13301	17.5
177.12793	3.1
187.14830	4.8
191.14223	1.7
205.15956	2.2
205.19508	7.6
207.13814	1.8
215.17969	78.1
216.18271	4.0
233.19009	100.0
234.19345	4.7
251.14244	2.1
307.22690	10.9
320.21121	1.5
325.23721	31.6
326.23831	2.6
488.44046	1.7
648.43335	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.1
57.85215	4.1
65.46185	3.4
66.30173	4.2
67.05507	15.4
69.03428	12.7
69.07074	8.7
71.30000	5.3
79.05508	11.6
81.07071	26.5
83.04961	5.6
83.08625	4.2
85.02907	17.4
85.06544	5.6
87.99937	3.5
91.05475	17.3
93.07056	26.2
95.01331	5.3
95.04968	7.8
95.08610	32.8
97.02895	16.9
97.06529	6.3
104.30169	4.1
105.07030	34.5
107.04931	6.3
107.08587	37.1
108.63744	3.7
109.06540	9.0
109.10173	26.7
110.71126	3.7
111.04475	4.9
111.08072	6.1
113.06021	4.8
115.03955	19.1
117.07042	9.2
119.08564	34.5
121.06519	12.1
121.10168	27.0
122.63377	4.1
123.08060	9.1
123.11685	7.2
131.08557	20.7
133.10123	28.6
135.08072	11.4
135.11693	13.0
137.09665	10.6
137.13208	5.7
141.01849	9.9
143.08572	7.1
145.10103	26.6
147.08058	11.6
147.11664	18.3
149.09601	7.5
149.13289	5.3
151.07603	6.0
151.11279	4.1
157.10156	13.9
159.08038	6.2
159.11717	15.6
161.09625	7.6
161.13264	10.7
161.40669	3.8
163.14832	9.1
169.10069	5.5
171.11676	9.9
173.13255	16.6
174.10316	4.1
175.11166	10.4
175.14783	10.9
177.12590	6.5
177.16411	4.2
183.11685	5.9
185.09546	5.0
185.13231	6.9
187.11249	4.3
187.14803	15.8
189.12732	10.0
189.16412	10.1
191.14339	9.2
197.13211	5.2
199.14758	5.3
201.12753	5.1
201.16438	6.9
203.14337	96.7
204.14661	8.5
205.15916	21.6
207.13820	5.3
211.14954	4.7
213.12880	5.6
213.16336	6.9
215.14345	9.2
217.15901	13.9
229.15886	5.5
231.17473	7.3
233.19002	4.9
281.18759	4.5
323.27255	7.6
389.28638	5.4
407.29605	23.3
419.29428	18.4
420.29413	4.7
425.30518	97.8
426.30695	14.0
437.30539	53.5
455.31567	100.0
456.31943	10.9
473.32651	76.6
474.32971	16.3
595.33325	4.0
613.33661	5.6
624.00201	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	666.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.0
55.05506	17.7
55.27132	2.8
57.03444	5.9
57.07086	3.4
59.04995	4.5
67.05508	39.9
69.03432	13.5
69.07072	21.1
71.04989	6.5
71.31741	4.7
73.02946	4.3
79.05499	35.6
81.03418	13.2
81.07064	59.5
83.04977	18.5
83.08630	12.3
85.02921	10.2
85.06555	8.4
91.05490	26.4
93.07045	51.8
95.04977	83.0
95.08620	40.5
97.02908	5.6
97.06538	10.2
99.04462	14.6
105.07042	51.4
107.08601	49.3
109.06529	52.1
109.10166	51.9
110.10477	2.8
111.04419	3.1
111.08111	7.3
117.07047	10.7
119.08588	32.1
121.06531	2.9
121.10156	32.2
123.08068	10.7
123.11720	12.8
127.03959	3.9
129.07062	6.6
130.07765	2.9
131.08582	34.7
131.09511	4.4
133.10135	100.0
135.08066	15.8
135.11693	24.9
139.11227	3.8
143.08566	8.8
145.10139	16.7
147.11664	20.2
149.09622	6.9
149.13257	26.5
151.07632	3.2
151.11221	9.2
151.83774	2.9
153.09111	25.7
157.10202	6.4
158.10934	10.8
159.11754	6.0
161.13246	4.7
163.11179	5.4
163.14838	4.7
165.12820	4.5
167.14320	7.0
171.11676	5.0
173.13263	68.6
174.13629	5.5
175.14970	3.9
181.10222	4.0
183.08150	3.7
185.13222	4.3
189.12711	4.5
191.14317	79.2
191.16020	6.4
192.14761	3.3
209.15378	36.8
227.16505	4.5
229.87381	2.8
261.22247	4.4
369.24225	6.1
387.25345	4.5
405.26270	3.8
501.19714	5.9
575.22876	40.6
603.21747	4.4
635.24976	25.3
648.44153	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	666.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03494	1.9
55.05506	6.4
57.07074	1.9
59.27230	1.7
63.56140	2.0
67.05511	10.5
69.03439	2.7
69.07072	6.3
79.05500	7.5
81.03428	5.1
81.07069	20.1
85.02911	33.5
91.05492	13.3
93.07046	6.7
95.04993	2.4
95.08604	10.4
97.02878	3.1
97.10211	2.4
105.07053	18.1
105.80920	2.0
107.08612	8.0
109.02872	2.5
109.06498	3.5
109.10184	5.4
115.31831	1.7
117.07025	3.5
119.08593	22.7
121.10176	8.1
123.08082	3.4
123.11716	35.7
125.05988	2.7
130.07918	1.7
131.08566	6.8
133.06522	9.0
133.10146	5.7
137.09695	2.1
143.08496	3.8
145.10138	20.8
147.08031	2.3
147.11717	32.1
149.09648	4.5
151.07530	2.0
156.09389	6.6
159.08046	2.3
171.11748	6.8
189.12758	100.0
190.13110	6.3
199.19490	1.7
207.13805	20.7
225.14902	5.5
229.20683	2.2
244.09764	5.4
272.50104	1.9
401.18176	2.3
405.27307	2.0
500.99905	2.3
549.17828	2.1
599.48572	2.0
627.85022	2.5
667.42682	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	666.494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60751	1.4
55.01875	6.3
55.05511	10.6
57.03430	2.6
67.05508	17.7
69.07069	9.8
69.33617	1.5
69.49483	4.0
69.49874	3.1
71.08577	1.5
79.05488	9.6
81.07059	42.3
81.99545	1.3
83.05000	2.7
83.08622	3.4
85.06537	1.9
91.05476	5.8
93.07046	8.1
95.08609	15.3
97.06512	2.0
97.10187	1.8
102.37280	1.6
105.07040	4.9
106.95720	1.4
107.08601	7.5
109.06538	10.7
109.10188	4.5
109.33775	1.4
111.04449	13.7
119.08575	4.9
121.10157	5.7
123.08052	2.8
123.11703	3.3
125.05978	3.6
131.08543	1.8
133.10156	4.3
135.08112	1.8
135.11699	3.3
137.05978	100.0
137.13213	2.5
138.06381	2.3
141.49342	1.3
145.10115	1.6
147.08101	1.6
147.11688	6.7
149.09619	3.8
149.13243	2.0
151.07524	1.6
157.10138	2.3
159.11641	2.4
161.09598	6.3
161.13350	2.1
163.11192	2.5
165.09200	2.5
175.11246	5.7
189.12767	2.5
203.17996	5.6
213.16449	2.5
231.17418	5.6
239.41890	1.4
249.18497	7.3
257.15808	1.7
263.37106	1.4
277.17987	56.7
278.18359	3.9
295.19089	9.4
333.20416	2.4
337.27402	29.1
338.27454	1.9
351.21634	19.1
352.22110	1.6
613.44537	59.1
614.44934	11.5
636.51318	1.5
667.45624	21.4
677.88123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.0
55.01871	5.0
55.05510	27.6
57.03434	9.3
57.07083	7.6
65.03935	3.9
67.05505	92.0
69.07071	27.3
69.28648	11.3
69.29065	11.1
71.08636	5.2
79.05489	38.1
81.07062	79.2
83.04990	10.6
83.08187	2.9
83.08614	16.8
91.05474	22.5
92.56516	2.9
93.07044	51.5
95.04973	8.2
95.08605	50.8
97.06532	8.9
97.10178	8.8
98.22619	5.8
99.08092	4.5
105.07016	17.7
107.08607	22.3
109.10154	28.4
111.08093	5.2
117.07042	4.9
119.08578	15.2
121.10149	13.5
123.11707	6.9
131.08527	5.8
133.10129	13.1
135.11690	10.1
139.11172	4.7
147.11679	8.7
149.13243	9.1
151.11218	4.4
159.11740	6.2
161.13297	6.6
163.14769	4.3
173.11804	5.1
195.13690	4.0
229.14404	15.0
259.20633	3.8
263.23767	7.6
269.17535	15.0
277.21640	6.9
290.95007	3.1
307.23138	3.6
319.25909	3.4
328.08118	3.6
329.08334	6.4
337.27344	55.5
338.27835	5.1
351.25238	16.3
366.85855	3.1
385.14410	3.9
491.37183	33.6
496.26379	4.2
497.26694	3.9
531.40424	100.0
532.41040	14.6
553.34241	3.5
554.33960	7.0
610.39722	7.5
613.48248	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	667.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
53.39935	1.4
55.01876	2.3
55.05506	3.2
55.82440	1.4
56.96574	3.8
58.21804	1.3
61.02924	1.8
66.96081	1.4
67.05502	6.3
69.03425	4.8
69.07056	3.0
70.06602	2.2
70.62428	3.0
71.04996	3.8
75.16796	1.8
79.05503	2.6
81.03419	3.2
81.07071	9.3
84.08179	1.7
84.96066	2.5
85.02905	11.0
85.06573	1.7
86.09686	2.0
87.00808	1.7
91.05489	4.8
93.07050	10.3
95.04974	2.7
95.08617	13.0
97.02900	3.1
98.97591	10.7
105.01873	1.8
105.07031	13.1
107.08580	9.1
109.10163	10.6
110.10506	2.9
110.97570	4.2
116.98638	5.2
119.08607	9.5
121.10163	7.5
123.08073	1.5
123.11685	3.5
127.03921	3.7
128.98618	4.1
129.06976	1.6
131.08607	4.7
133.10149	6.0
134.99634	2.8
135.11705	6.5
137.06024	8.6
137.09695	1.5
141.67102	1.5
143.08578	2.3
145.10139	6.5
146.99675	2.4
147.11719	8.7
149.13251	2.0
152.51881	1.5
157.10101	1.6
158.99649	1.9
159.11703	4.3
161.05978	4.6
161.13287	4.8
163.14874	1.8
167.07092	2.9
170.99786	2.0
171.11717	2.1
175.11423	1.4
175.14847	2.6
177.00764	2.6
185.13354	2.7
187.14862	4.4
189.00775	2.8
189.16351	2.4
194.99715	1.3
201.00757	3.7
201.16440	2.4
203.14406	4.7
203.17990	6.6
204.18411	3.5
205.15581	1.4
213.00694	2.0
215.14301	1.7
219.01721	19.5
232.08598	1.7
237.02831	31.0
251.17783	1.6
259.07318	1.7
260.07974	2.0
261.02820	10.4
264.10931	1.5
267.17487	1.8
279.03885	30.4
285.18533	2.3
291.10132	2.5
303.03873	2.1
321.04950	14.5
323.12955	3.2
324.13187	4.2
335.06522	5.6
363.06064	1.9
375.10895	1.7
449.07050	2.2
455.31284	6.9
461.15128	1.5
465.06229	2.8
467.31506	1.9
485.32550	5.7
503.33624	4.1
581.19702	4.6
581.38861	1.8
623.21002	98.9
624.21252	11.2
667.19800	100.0
668.20428	12.5
692.34845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.2
69.03436	0.3
70.06603	0.4
71.05006	0.3
73.02930	0.6
79.05514	0.3
80.62790	0.2
81.07061	0.4
85.02915	0.6
86.09696	0.3
87.64906	0.2
91.05501	0.6
93.07061	0.4
95.04970	0.4
95.08624	1.1
101.99938	0.2
103.05492	0.2
105.07057	0.8
107.08617	0.7
108.38560	0.2
109.10207	0.5
111.04398	0.2
117.07036	0.3
119.08642	0.8
121.10173	0.7
131.08630	0.7
133.10173	0.7
133.28419	0.2
135.08115	0.3
137.05960	0.3
137.09659	0.3
143.08595	0.5
145.10172	0.7
147.11740	0.3
157.10143	0.5
159.11732	0.6
173.13336	0.3
176.04552	0.3
177.05321	0.3
185.13295	0.3
187.14825	1.4
189.16380	0.2
201.16467	0.7
203.06909	0.5
203.14429	0.9
205.04785	0.7
205.16048	0.3
213.16479	0.4
219.06387	0.4
249.07430	0.6
337.10632	0.3
339.12463	0.7
351.12302	0.3
373.12784	0.6
380.54324	0.2
403.13620	0.3
425.12054	3.0
440.14471	7.7
441.15045	1.4
453.15671	0.3
455.31885	1.2
470.80139	0.2
485.32684	0.8
503.33929	0.4
517.31622	0.5
587.36420	0.3
601.34247	0.3
619.21393	0.5
637.22327	0.4
667.23621	100.0
668.23950	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	667.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
67.05518	2.0
69.05616	6.1
69.06045	7.5
79.05499	4.3
81.07056	2.6
91.05499	3.0
93.07075	1.9
94.06536	1.8
95.04963	2.3
95.08627	2.5
99.12302	1.5
101.46915	1.4
104.05013	4.3
105.07050	2.4
106.06556	3.3
107.08607	2.3
111.15753	1.4
111.47716	1.6
116.12206	1.5
119.08600	2.0
121.10217	3.1
123.08115	1.8
129.41339	1.4
134.06042	5.5
178.05028	7.3
178.45937	1.5
181.12225	2.0
198.31180	1.6
209.06981	1.7
211.08781	1.5
218.93738	1.5
221.10762	2.3
223.08669	2.3
225.10164	3.7
235.08707	3.2
236.09589	2.1
237.10257	4.6
239.11934	2.4
241.09848	1.7
247.08824	3.3
248.09464	3.8
249.10274	15.1
250.10971	2.7
251.08121	2.1
251.11908	3.9
261.10471	2.3
263.08203	2.3
265.09769	3.0
275.08206	2.1
277.09744	5.3
288.12469	1.6
301.12604	1.9
303.07550	3.2
311.10458	2.2
312.11481	2.2
314.12857	1.8
323.10507	1.9
324.11536	3.7
337.12006	2.5
338.09241	1.7
338.12866	3.7
340.10730	2.7
350.13217	2.2
352.10678	3.6
366.12460	6.1
367.13104	1.9
372.13046	2.0
380.10147	2.5
394.11859	5.0
396.13345	2.8
413.13971	2.4
422.11624	3.5
423.12265	2.7
427.15564	2.5
429.17459	2.4
431.14731	2.5
433.16333	2.5
440.16422	2.3
442.14291	2.9
443.14761	2.8
445.16360	2.2
450.10480	2.1
453.13235	1.9
454.14325	3.2
455.14938	5.0
456.15704	2.5
457.16867	2.5
459.18506	1.7
467.15009	2.0
468.16000	3.5
469.16815	3.5
470.17773	3.6
472.15106	2.6
482.13342	2.3
484.15634	1.8
485.20392	2.2
486.16797	2.5
487.18015	2.4
495.18655	1.9
496.15143	2.7
497.15958	3.9
498.16748	3.1
499.17587	2.6
501.19705	3.4
505.19019	2.4
510.12439	2.5
511.17786	5.8
512.18445	2.0
513.18982	2.2
515.17145	4.5
529.18652	4.8
530.19354	1.8
539.17017	4.0
540.17584	2.7
543.16455	4.7
545.22083	2.3
547.19604	2.1
555.19843	4.2
557.18005	6.3
558.18756	3.6
571.19360	2.1
573.21405	21.5
574.21173	2.7
575.19220	4.5
585.18018	3.1
589.20898	10.9
599.19293	32.7
600.19501	3.9
607.21704	5.6
617.20337	100.0
618.20569	13.9
631.21857	15.0
635.23212	1.9
649.12701	2.2
649.22998	34.6
650.23236	5.0
667.23999	35.7
668.24213	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	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29773	1.2
67.05523	1.2
69.10575	3.0
69.10984	6.5
81.07059	3.3
93.07049	1.6
105.93145	1.4
107.08595	1.9
109.10152	1.5
120.08018	1.5
121.10120	1.4
133.10077	2.6
139.79498	1.4
150.51007	1.3
159.11684	1.3
223.12227	1.5
224.09454	1.6
224.12746	1.9
237.14046	1.4
253.09808	1.5
253.13309	2.2
363.16049	2.8
375.16064	1.8
376.16760	1.6
377.17587	8.6
379.18591	1.5
386.10699	1.4
390.18588	1.8
391.19052	11.5
392.19830	7.1
393.20593	1.5
401.18066	1.7
402.18506	1.6
403.19659	1.6
405.20865	5.5
406.21460	3.0
407.22339	10.7
408.22638	1.9
419.18121	8.0
420.19269	4.4
422.17828	2.1
428.11835	1.4
431.18900	2.4
433.19962	3.5
434.20901	4.1
435.22110	10.2
436.18655	2.0
444.16257	2.0
445.20609	1.8
447.17664	3.0
447.22873	2.1
451.21091	9.0
459.17853	7.4
462.24246	3.3
465.22910	2.2
472.18738	1.7
473.19742	4.3
474.20386	4.7
477.19089	2.1
479.20798	40.8
480.21130	3.3
489.22720	5.1
493.22168	8.3
494.23178	5.5
501.19189	4.4
502.19778	5.2
505.18158	8.2
506.19104	2.3
515.21027	6.3
516.21338	3.9
517.22388	86.4
518.22766	10.9
521.25342	4.1
547.23511	2.4
549.24994	72.6
550.25232	10.3
565.24188	3.8
575.22461	8.0
576.23419	2.7
580.26715	3.2
593.23810	17.0
607.25317	8.3
608.26099	15.2
617.23956	4.2
635.24963	100.0
636.25458	14.8
649.26422	3.4
667.27417	51.5
667.44177	2.7
668.28156	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	667.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61619	1.7
56.07613	2.3
59.73483	2.1
69.07092	1.9
69.90347	6.8
76.06415	2.0
79.05500	2.2
91.05505	2.4
95.08602	2.8
98.22614	2.2
105.07084	2.1
145.10144	2.6
153.01028	1.9
159.70868	1.8
160.51691	1.9
226.54243	2.0
249.10213	2.4
282.13705	2.4
285.25089	2.0
296.12885	2.1
304.85944	2.1
376.16962	3.8
377.17804	2.6
388.16351	2.7
389.17914	5.1
390.18527	4.9
391.19278	9.3
403.19281	3.9
404.20392	3.1
405.20770	10.1
417.20990	4.8
419.22549	7.7
428.15735	3.4
433.19983	9.7
435.18137	4.9
436.19244	3.0
447.21930	5.6
449.20013	7.0
461.19934	4.8
463.21402	5.8
464.22098	3.0
465.23029	10.2
473.19742	4.1
473.82156	2.7
478.23224	2.6
479.20804	4.3
488.18079	3.1
489.18835	3.3
491.20657	3.4
493.22009	35.7
494.23087	3.6
501.19104	7.9
505.22604	4.4
507.24075	4.6
515.20874	8.4
516.21643	5.0
519.24554	4.1
521.25513	13.9
533.22076	6.0
537.25171	5.2
547.23322	10.2
551.26837	12.1
552.27319	2.9
565.24384	27.4
566.24756	4.9
575.22723	13.7
576.23376	3.1
579.25909	20.9
580.26788	100.0
581.26776	12.9
607.25433	64.0
608.26208	7.4
617.24475	3.8
635.25000	40.2
636.25409	5.5
639.28241	9.0
649.26434	14.2
650.27155	3.1
667.27618	85.1
668.27966	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	667.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05511	7.6
57.03441	6.6
61.02925	5.2
67.05515	16.5
69.03423	15.9
69.07072	15.2
69.79456	10.8
71.04987	5.4
73.02922	43.1
74.14346	2.1
79.05502	10.3
81.03455	3.2
81.07066	28.6
83.01308	2.0
83.04994	4.9
83.08642	2.4
85.02907	17.9
85.06547	5.7
91.05482	22.5
93.07047	25.5
94.96341	2.0
95.04974	6.7
95.08611	60.7
95.09232	2.9
96.08932	2.6
97.02901	11.1
97.06507	4.9
98.22617	2.3
99.04456	2.5
100.11227	2.1
105.07031	34.5
107.08601	40.4
109.02887	4.4
109.06530	8.3
109.10169	23.2
111.08127	2.7
115.03928	10.5
117.07021	7.8
119.08582	60.5
120.08908	4.5
121.06516	10.7
121.10156	25.1
123.08076	5.1
123.11719	7.1
125.06033	4.2
125.09647	4.6
127.03925	6.9
128.06200	3.2
129.07024	9.3
131.08578	31.4
133.10132	28.5
134.10512	3.4
135.08093	7.8
135.11723	15.6
137.06036	6.2
137.09624	5.7
137.13263	3.1
142.07767	5.1
143.08597	19.3
145.06502	3.3
145.10126	47.6
147.08043	9.0
147.11665	17.6
149.09625	4.0
149.13239	9.5
149.14378	2.6
151.07620	3.8
153.05524	2.2
155.08545	8.5
157.10146	20.3
158.10904	3.4
159.08083	5.2
159.11699	31.1
161.09688	9.8
161.13300	14.2
163.11143	3.3
163.14835	8.5
167.08508	3.3
169.10162	6.5
170.10899	2.9
171.11665	13.8
173.09628	5.2
173.13280	20.1
175.07587	3.4
175.11137	4.1
175.14850	12.8
177.12703	4.4
177.16426	5.3
179.14267	3.5
181.10068	3.4
181.59164	2.5
183.11659	13.6
185.13269	19.7
187.14819	100.0
188.15172	6.2
189.12784	8.0
189.16376	11.6
190.13055	2.7
191.10649	2.8
191.14333	5.4
195.11784	3.8
197.13266	8.4
199.14836	22.8
201.12779	3.1
201.16417	25.4
202.16747	3.8
203.14311	48.7
203.17943	4.9
205.12135	3.0
205.15862	12.2
207.13646	2.5
209.13379	3.5
211.14836	7.4
213.16313	18.8
214.16606	3.3
215.14417	9.2
215.17963	5.0
217.15904	9.8
219.13889	4.8
220.80127	2.3
223.14874	3.7
225.16432	7.5
227.14374	3.4
227.18025	7.3
229.15900	5.7
231.13736	5.0
231.17508	4.3
233.15460	7.1
239.17938	5.6
243.17500	3.8
245.15387	3.6
251.17964	4.1
253.19518	2.7
267.20978	3.9
269.18973	3.9
287.05527	6.8
307.24091	3.1
309.25742	6.7
325.25266	3.6
353.24734	4.3
371.25668	5.1
373.28885	3.5
389.28375	7.6
391.29840	8.4
405.27515	5.7
407.29376	12.3
417.27802	9.6
419.29495	6.7
423.28812	3.0
435.28937	18.2
436.29227	5.3
437.30322	6.4
451.28235	6.1
453.29910	14.0
455.31659	34.0
463.28293	5.3
469.29446	30.2
470.29990	5.2
481.29456	11.3
485.32578	14.9
499.30307	12.9
503.33630	8.8
517.31561	31.0
518.32037	5.0
587.35797	14.2
601.33826	22.5
602.33740	6.4
631.34546	6.6
649.35657	7.6
667.34637	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32981	1.0
55.05508	1.8
61.02911	0.9
61.68352	0.8
63.28696	0.9
63.94331	0.9
64.52826	0.9
66.51563	1.0
67.05502	3.9
69.03416	1.8
69.07063	3.3
70.06574	1.0
71.31607	1.6
73.02921	10.4
79.05497	2.6
81.03419	1.6
81.07044	5.3
83.04958	0.9
84.27242	0.9
85.02919	3.1
91.05481	4.3
93.07053	5.7
95.04931	1.0
95.08600	12.6
97.02907	2.7
97.06497	1.1
99.04356	0.9
105.07023	8.6
107.08581	7.6
109.06527	1.3
109.10157	6.4
115.03926	2.7
117.06989	1.8
119.05006	1.0
119.08582	14.3
121.06506	2.2
121.10174	5.1
123.08058	1.0
123.11710	1.2
125.06017	1.3
129.07050	1.2
131.08546	9.4
133.10146	7.8
135.08112	1.6
135.11702	3.6
137.05969	3.1
137.09674	1.9
143.08589	4.6
145.10120	14.1
147.08076	3.0
147.11665	4.8
149.09653	1.6
149.13277	2.3
151.07562	1.3
151.11104	1.2
155.08650	2.6
156.09377	1.3
157.10117	6.5
159.11696	6.7
161.09668	2.2
161.13304	3.7
163.14804	1.9
167.07050	2.1
169.10165	2.7
171.11685	4.3
173.13290	7.2
175.11249	2.4
175.14813	3.4
177.12892	1.2
177.16391	1.2
179.10687	1.3
181.10168	1.3
183.11719	3.3
185.13326	4.2
187.11230	1.5
187.14810	28.5
188.15187	1.8
189.12790	2.5
189.16389	2.5
191.14337	2.3
195.11694	1.5
197.13231	2.7
199.14810	7.1
201.09152	1.3
201.16385	5.8
203.10704	1.8
203.14313	17.0
203.16119	1.6
205.15868	3.4
211.14961	1.3
213.16350	4.8
215.14397	1.5
215.17981	2.0
217.15942	4.4
219.13812	1.1
225.16501	2.2
227.17937	2.5
229.12262	1.3
229.15869	1.6
231.13942	1.5
231.17422	1.1
233.15369	2.2
237.16377	1.7
239.17935	1.5
243.13716	1.1
248.19722	1.3
251.18054	1.4
253.19557	2.2
259.16888	1.1
265.08609	0.9
267.21185	1.7
271.16809	1.2
277.55658	1.0
309.25882	2.9
325.25345	1.4
349.11209	1.2
371.26077	1.4
373.28796	1.3
389.28552	2.3
391.29922	2.5
405.28281	2.3
407.29593	3.5
417.27814	2.2
425.11938	2.1
435.28995	7.1
437.30444	2.3
440.14438	9.3
451.28336	1.7
453.30078	5.7
455.31595	10.9
456.31927	1.5
463.28571	2.2
469.29407	13.2
470.29935	2.4
481.29486	3.3
499.30255	6.8
517.31635	19.0
518.31696	3.1
587.35858	5.6
601.33643	4.4
602.33759	1.4
619.22900	1.4
623.26453	2.4
631.34772	1.8
649.36218	2.4
667.23615	100.0
668.24072	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	667.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.4
53.03953	4.9
55.01870	3.2
55.05515	3.0
57.03434	5.2
57.07080	1.4
61.02930	5.3
63.93283	1.3
65.03938	2.4
65.17149	1.2
67.05511	16.4
69.03434	20.9
69.07072	4.1
69.19545	9.4
70.06590	2.0
71.04997	24.9
73.02913	4.8
77.03945	1.4
78.46841	1.3
79.05492	12.7
79.52928	1.3
81.03436	9.7
81.07063	19.6
83.04994	3.7
83.08630	2.1
85.02911	58.2
85.06541	2.9
87.04490	4.7
91.03973	3.1
91.05479	18.9
93.07048	18.5
95.04970	12.7
95.08624	19.8
97.02898	16.5
97.06530	2.9
99.04476	3.7
100.11290	1.4
103.05499	2.4
105.07036	28.1
107.04977	2.8
107.08600	15.4
108.61172	1.2
109.02908	6.0
109.06522	5.0
109.10133	7.9
110.10410	1.6
111.04439	3.3
111.08092	1.3
113.06017	20.5
115.05495	2.0
117.07007	7.7
119.08578	29.1
120.08893	2.0
121.06515	12.8
121.10161	9.5
122.46143	1.3
123.08077	11.6
123.11741	2.0
125.09658	1.6
127.03927	10.9
128.06213	3.1
129.07024	9.7
130.07814	1.4
131.08583	15.6
133.10143	12.1
134.10484	1.3
135.08067	5.2
135.11705	6.3
137.05994	5.9
137.09634	2.2
141.06995	4.1
142.07771	2.2
143.08556	21.4
144.09160	1.6
145.04984	8.9
145.06435	1.3
145.10114	29.6
147.08043	10.2
147.11707	42.2
147.12929	2.9
148.12016	2.7
148.15393	1.4
149.09627	3.0
149.13303	4.0
151.07565	1.4
153.07031	1.8
154.07716	2.0
155.08578	13.5
156.09207	1.6
157.10139	13.9
159.08061	2.6
159.11705	21.6
160.12111	1.4
161.09630	5.7
161.13269	6.1
163.11169	3.1
165.07072	3.4
165.09111	9.2
167.07124	2.5
167.08614	4.8
169.10141	15.7
170.10793	2.1
171.08037	2.5
171.11676	14.7
172.12431	1.9
173.09668	5.2
173.13281	13.3
175.11211	2.8
175.14876	4.0
179.08575	3.0
180.09355	1.5
180.36508	1.4
181.10178	8.3
182.10973	1.9
182.15451	1.7
183.11696	9.6
185.13289	8.2
187.14900	6.8
189.12735	1.9
192.09329	2.4
193.08617	2.2
193.10130	10.6
193.11652	1.6
194.10849	2.3
195.11714	7.2
196.12447	1.4
197.13239	10.3
198.14087	2.4
199.14801	10.4
201.16408	5.0
203.14351	2.4
203.17966	1.8
204.18277	1.8
205.10204	3.4
206.10957	1.8
207.11696	14.6
209.13280	6.8
210.14822	1.4
211.11143	1.8
211.14876	5.3
213.12817	2.4
213.16431	4.0
215.14368	1.6
217.15828	2.0
219.11798	4.4
220.12416	2.9
221.13306	5.1
223.14851	12.6
224.15462	2.1
225.12727	2.2
225.16457	4.9
227.14194	1.8
228.15062	2.2
229.15839	1.6
234.14082	5.2
237.16356	2.8
238.13542	2.2
239.14310	5.0
239.17950	10.8
241.15892	5.8
243.17410	2.1
249.16414	60.7
250.16846	3.8
251.18015	1.6
257.19073	2.9
265.16016	1.6
267.17441	66.9
268.17822	6.1
269.19080	6.2
279.21008	2.7
285.18506	55.3
286.18869	3.2
287.19919	3.1
297.22250	7.1
303.19617	3.1
309.18484	5.7
315.23111	2.6
327.19559	21.2
345.20624	100.0
346.20941	7.3
347.22360	2.7
357.24310	2.1
363.21689	4.8
373.25232	2.4
391.26105	6.6
409.27216	9.8
427.28476	6.6
449.30615	1.9
451.27924	2.0
455.31506	8.7
469.29437	6.0
485.32996	8.2
487.30487	8.8
503.33777	4.1
505.31635	34.8
506.31882	5.3
529.70789	1.5
563.31812	1.8
649.35675	2.9
667.20947	4.4
667.36853	3.0
667.50360	3.0
679.17395	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64592	1.0
53.03935	1.9
54.14585	1.2
54.75406	0.9
55.05503	4.5
57.03430	5.0
58.23634	1.0
65.03951	1.6
67.05507	11.5
69.03425	5.2
69.07069	6.4
71.04994	27.3
75.04472	1.6
79.05492	8.7
81.03426	1.8
81.07064	15.0
83.04982	4.1
83.08619	2.3
85.02909	38.4
85.06548	1.6
87.04473	1.5
91.05492	10.4
93.07044	16.6
94.07392	1.1
95.04984	10.4
95.08607	41.0
96.08974	1.1
97.02894	1.1
97.06533	2.6
99.04495	1.9
101.17984	1.1
105.07034	25.2
106.07344	1.2
107.08599	21.9
109.06515	4.5
109.10156	13.6
111.04454	2.5
111.08105	2.0
117.07023	6.0
119.08581	43.7
120.08932	1.3
121.06532	4.8
121.10130	15.4
123.08075	4.2
123.11726	4.7
127.03925	1.5
127.63490	1.0
129.05482	5.7
129.07022	3.5
131.08572	20.0
131.09496	1.8
133.06522	1.6
133.10141	17.6
135.08047	4.5
135.11690	6.5
137.06006	3.0
137.09622	4.2
142.07797	2.5
143.08556	11.0
145.10126	27.3
147.06514	1.9
147.08020	5.0
147.11685	11.7
149.09616	2.7
149.13258	4.2
151.11188	1.6
155.08606	5.2
156.09341	2.1
157.10138	11.2
158.10939	1.6
159.08043	1.9
159.11670	15.6
161.09608	5.1
161.13290	10.6
163.07552	1.8
163.11188	3.2
163.14833	3.7
169.10133	4.5
170.10898	1.3
171.11684	8.0
173.09592	1.5
173.13278	14.0
175.11174	2.3
175.14862	9.1
177.12767	1.6
177.16391	4.5
179.14386	1.5
182.10815	2.0
183.11668	3.3
185.13248	9.0
187.11234	1.8
187.14810	38.6
188.15125	1.6
189.12749	5.8
189.16368	7.6
191.14264	3.7
195.11632	2.5
197.13300	4.3
198.01141	1.2
199.14792	9.6
201.12779	2.0
201.16350	11.9
203.14310	33.4
203.17976	3.8
205.15891	6.9
211.14832	4.1
213.13025	1.3
213.16391	10.6
215.14334	6.0
215.17960	3.4
217.15865	8.5
219.17351	1.7
221.15388	2.7
221.18936	1.4
222.19235	1.3
225.16461	4.3
227.14293	1.5
227.18007	3.3
229.15919	5.2
231.17451	4.1
233.15321	2.4
234.83481	1.3
243.17358	1.4
245.18871	1.2
247.16985	2.5
253.19514	2.7
267.21045	2.0
287.05548	2.2
374.51254	1.3
375.30197	1.3
391.29987	1.9
403.29892	5.5
405.31412	3.6
409.31332	1.3
419.29611	1.9
421.30899	9.9
423.32654	5.5
431.29544	3.3
437.30338	3.0
439.32086	3.5
441.33829	1.9
449.30450	11.4
450.30505	1.4
455.31561	90.4
456.31995	11.1
467.31519	15.3
485.32617	100.0
486.32996	9.8
496.34042	1.5
503.33661	56.0
504.27307	1.2
504.33972	7.2
521.34552	3.6
571.35760	1.1
571.45966	1.1
581.88336	1.3
601.36542	1.3
667.21857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05501	5.3
57.03439	7.0
57.07067	1.2
59.04977	1.0
65.03944	1.5
65.40616	0.8
67.05179	1.3
67.05505	11.3
69.03432	6.4
69.07069	7.1
70.06593	1.2
70.34760	2.0
71.04994	31.3
73.02915	1.4
74.67664	0.8
75.04477	2.4
79.05498	8.2
81.03414	1.5
81.07058	15.8
82.07392	1.0
83.04978	4.6
83.08625	3.0
85.02904	42.3
85.06536	1.4
86.03207	0.9
86.09713	0.8
87.00810	0.9
91.05476	11.7
93.07040	15.7
95.04973	9.6
95.08605	46.3
96.08894	0.9
97.06532	4.2
97.10149	1.6
99.04459	2.9
103.05462	0.9
105.01900	1.1
105.07023	24.4
107.07860	1.1
107.08587	21.0
109.06543	4.4
109.10149	13.3
111.04436	2.8
111.08080	2.9
115.05476	0.9
115.07590	0.9
117.07005	5.0
119.08576	48.0
120.08872	1.5
121.06504	3.9
121.10148	16.2
123.08055	5.6
123.11699	5.3
125.05924	1.0
127.03892	1.3
128.06210	1.9
129.05493	7.6
129.07024	4.2
131.08569	17.6
133.06512	1.7
133.10132	21.3
134.10521	1.4
135.08061	4.7
135.11685	8.5
137.09644	4.5
142.07808	1.9
143.08542	12.0
144.09352	1.3
145.06520	1.2
145.10120	31.4
146.10449	1.7
147.06595	1.2
147.08047	6.9
147.11693	12.2
149.09578	4.1
149.13269	5.5
155.08536	2.8
156.09334	2.2
157.10132	15.2
159.08044	2.6
159.11691	18.1
161.06081	1.0
161.09622	5.5
161.13237	13.8
163.07510	1.5
163.11163	2.3
163.14851	4.2
165.09158	1.1
167.07034	3.2
169.10124	4.6
170.10924	2.1
171.11678	9.9
173.09618	1.7
173.13254	14.2
175.11128	2.3
175.14824	10.8
177.12715	1.7
177.16382	4.1
179.14316	2.1
181.10214	1.0
182.10771	0.9
183.11693	4.3
184.12427	1.1
185.13266	10.8
187.14819	45.5
188.15120	2.1
189.12741	5.7
189.16409	8.3
191.14264	4.3
193.15927	1.3
197.13226	5.5
199.11240	1.3
199.14813	13.0
201.12769	2.2
201.16360	14.3
203.14311	36.3
203.17961	2.9
204.14685	1.5
205.15860	9.3
205.19463	1.3
207.13817	1.2
209.13220	2.4
211.14839	4.2
213.12793	0.9
213.16348	11.0
215.14383	5.9
215.17909	4.0
217.15881	9.8
219.17473	3.1
221.15346	1.7
223.14824	1.4
225.16403	3.5
227.14285	1.3
227.17917	2.4
229.15880	5.9
229.19395	1.5
231.13708	1.1
231.17393	5.3
233.15408	2.9
235.16893	1.6
237.16318	2.0
239.14217	1.2
239.18031	1.9
241.15919	2.0
241.19521	1.8
243.17439	1.3
245.15350	1.9
247.17107	1.8
249.18524	1.4
251.18007	1.2
253.19542	2.7
255.21080	1.7
259.16928	1.4
267.21112	1.2
279.20889	1.0
281.22552	1.5
307.24194	1.0
325.25150	1.4
347.27121	0.9
353.24615	1.1
369.27896	1.3
375.30295	1.2
385.28992	1.3
387.30185	1.2
391.29739	2.8
393.31580	1.3
403.30020	6.9
404.30667	1.0
405.31348	2.9
409.30859	2.0
419.29568	1.5
421.30951	7.2
422.31396	1.1
423.32794	4.0
424.32993	1.0
431.29382	3.7
437.30521	2.5
439.32141	5.1
441.33618	1.2
449.30283	7.9
450.30676	1.4
455.31558	100.0
456.31876	10.4
467.31561	16.4
468.31241	0.9
485.32602	98.3
486.33029	11.8
503.33636	51.6
504.34082	7.5
521.34821	4.7
601.37354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03937	2.5
55.01859	2.4
55.05516	7.0
57.03437	8.3
57.07062	1.5
57.40360	1.0
61.34284	1.0
65.03931	2.3
67.05509	15.5
68.05817	1.5
69.03417	6.6
69.07072	10.7
71.04996	30.1
71.30882	2.1
73.02898	2.6
75.04475	2.7
79.05488	10.5
81.03413	3.0
81.07053	27.9
82.07388	2.4
83.04967	6.1
83.08614	4.4
85.02907	48.1
85.06524	3.6
86.09679	1.2
86.78387	1.1
87.00815	1.6
91.05484	15.4
93.06462	2.1
93.07041	27.5
94.07366	1.5
95.04967	13.6
95.08611	53.1
96.08937	3.7
97.02900	2.3
97.06526	4.0
97.10196	1.3
99.04452	2.7
105.01887	1.5
105.07037	31.4
105.07753	1.5
106.07365	1.5
107.04971	1.3
107.08591	28.0
108.08931	1.7
109.02831	1.7
109.06503	4.8
109.10154	20.9
110.10496	2.7
111.04426	3.6
111.08088	4.7
113.05968	1.3
115.05454	1.3
115.37966	1.0
117.07026	6.3
119.08582	54.1
120.08898	2.6
121.06507	5.0
121.10139	21.3
122.10449	1.4
123.08070	4.5
123.11723	7.8
125.09679	1.7
127.03871	2.5
128.06218	2.3
129.05490	7.8
129.06987	4.0
131.08577	21.0
133.06512	1.8
133.10135	21.9
135.08022	6.0
135.11693	12.1
136.12013	1.7
137.05980	2.5
137.09627	3.3
137.13239	1.5
142.07756	2.2
143.08571	12.0
145.10124	34.4
146.10468	1.7
147.06454	2.6
147.08057	6.9
147.11684	18.8
148.12013	2.4
149.09622	6.5
149.13283	5.3
151.07521	1.7
155.08432	2.6
156.09372	2.3
157.10130	16.1
159.08038	2.8
159.11684	18.9
160.12337	1.3
161.09657	5.2
161.13261	14.4
162.13687	1.7
163.07532	1.3
163.11195	2.6
163.14833	5.0
165.12749	1.8
169.10165	6.1
170.10858	1.3
171.11665	9.6
172.12469	2.0
173.09651	2.7
173.13255	17.3
175.11232	3.0
175.14803	12.2
176.15083	1.1
177.12752	2.7
177.16455	3.3
179.14301	1.9
182.10928	1.6
183.11688	5.1
185.13286	7.7
186.13707	1.4
187.11211	1.5
187.14822	42.9
188.15216	2.2
189.12738	7.8
189.16373	8.2
191.14337	5.6
193.12241	1.2
195.11705	2.3
196.12354	1.3
197.13264	6.5
199.14861	12.7
200.15033	1.2
201.16377	15.3
203.14317	32.1
203.17854	7.5
204.14754	1.7
204.18311	4.7
205.15889	9.7
207.11832	1.3
209.13232	1.6
211.14787	5.7
213.16393	9.8
215.14339	8.7
215.17938	3.1
217.12274	2.5
217.15887	10.0
219.17310	1.6
221.15381	1.7
225.16292	3.2
227.14360	1.9
227.17946	3.7
229.15904	6.6
229.19548	1.3
231.17499	5.0
233.15334	3.1
237.16422	1.4
239.18002	3.2
241.19437	2.5
245.15466	2.1
247.16908	3.5
251.18002	2.0
253.19563	1.9
257.18973	1.9
259.16998	1.6
265.19617	1.2
283.20609	1.3
307.24008	1.8
387.30832	1.8
391.29883	3.3
403.30008	7.0
405.31509	3.3
419.29260	1.8
421.31088	7.8
423.32571	4.9
431.29230	3.5
437.30554	1.9
439.32016	4.8
449.30429	11.0
450.30698	1.8
455.31577	95.9
456.31857	11.0
467.31491	12.8
468.31949	1.9
485.32629	100.0
486.32941	13.8
496.33615	1.5
503.33643	58.1
504.33862	7.8
521.34491	3.8
522.34924	1.4
535.32507	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05508	6.6
57.03439	8.1
57.07073	1.2
65.03947	1.1
67.05507	12.5
69.03434	6.0
69.07092	6.6
69.10235	9.8
69.10565	2.2
71.04995	36.0
73.02909	1.3
75.04479	1.4
79.05480	9.5
80.29520	1.2
81.07060	21.5
83.04987	5.8
83.08638	3.0
85.02903	49.3
85.06562	1.4
87.04468	1.6
91.05489	12.5
93.07050	20.3
95.04965	14.5
95.08607	48.9
97.06547	3.5
98.22542	2.6
99.04466	3.1
105.07027	27.3
105.07669	2.2
107.08588	27.2
109.06506	4.3
109.10147	15.4
109.60705	1.1
111.04436	3.9
111.08070	3.5
117.07018	8.4
119.08576	56.2
121.06518	5.9
121.10146	18.8
123.08089	5.6
123.11714	4.7
123.96542	1.2
126.40282	1.2
128.06128	1.3
129.05496	8.4
129.07043	4.5
131.08568	26.9
133.10138	26.2
135.08061	5.4
135.11684	7.8
137.09641	4.0
139.07538	2.0
141.07033	1.5
142.07841	2.8
143.08586	11.7
145.10121	37.0
147.06500	2.2
147.08047	5.9
147.11691	13.8
149.09644	5.2
149.13231	6.1
155.08568	5.7
156.09422	3.1
157.10106	19.2
158.10785	1.4
159.08052	3.3
159.11699	22.5
161.09589	8.4
161.13280	12.1
163.11172	1.6
163.14838	5.5
169.10081	6.6
170.10915	2.9
171.11673	11.8
173.09525	1.7
173.13248	19.1
175.11235	3.0
175.14835	12.3
177.09097	1.2
177.12814	3.0
177.16428	4.8
179.14246	2.0
182.10960	1.5
183.11752	3.7
184.12448	1.9
185.13249	9.6
187.11214	2.3
187.14824	51.2
188.15126	2.0
189.12695	8.0
189.16408	10.7
191.14282	6.0
197.13300	5.7
199.14830	13.8
201.12630	2.9
201.16389	15.8
203.14308	39.3
203.18126	2.5
204.14607	2.1
205.15897	12.4
211.14859	5.5
213.16370	14.1
214.16653	1.8
215.14362	7.0
215.17984	4.3
217.15935	10.3
219.17508	2.4
221.15262	1.6
223.14806	1.5
225.16481	1.6
227.14392	1.9
227.18039	5.3
229.15947	6.2
231.17526	4.0
233.15341	3.6
237.16312	2.0
239.17896	2.8
241.19540	2.2
243.17331	2.0
245.15320	2.5
247.16965	4.2
249.18582	1.6
251.17928	1.9
253.19591	2.6
279.21210	1.6
371.25211	1.7
379.30389	1.6
385.28647	1.6
391.29709	3.2
403.29919	5.5
405.31369	3.2
414.29004	1.4
419.29477	1.7
421.31030	10.5
422.31168	2.1
423.32629	5.1
431.29395	4.0
437.30417	6.0
439.31882	4.3
449.30487	10.6
450.30902	2.1
455.31552	100.0
456.31842	11.8
467.31552	16.5
485.32602	93.4
486.32947	13.8
496.33780	1.9
503.33655	53.8
503.41171	2.7
504.33954	6.7
521.34698	4.0
556.48407	1.5
579.60760	1.6
686.30756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4051
Annotation	Lucyoside R
Peak:m/z	Relative Intensity
53.03951	2.4
55.05512	4.3
57.03441	7.9
60.25228	1.2
67.05509	13.7
69.03429	7.3
69.07069	8.4
70.46625	3.1
70.90924	1.3
71.04992	35.1
73.02923	2.4
75.04468	2.7
78.01506	1.3
79.05486	10.3
81.05933	1.5
81.07056	23.7
83.04982	4.0
83.08636	2.3
83.37923	1.3
83.38460	1.1
85.02904	44.1
85.06567	1.6
87.04486	1.6
91.05479	17.1
93.07037	21.2
95.04974	13.8
95.08608	49.5
97.06518	3.1
98.49886	1.4
99.04466	3.6
105.07028	28.6
107.08598	28.4
108.08923	1.8
109.06522	5.5
109.10153	17.2
109.40192	1.3
111.04460	4.0
111.08094	3.1
115.05473	1.5
117.07029	5.2
119.08579	50.7
120.08923	1.9
121.06512	3.9
121.10133	16.3
123.08079	5.5
123.11723	5.1
129.05482	6.3
129.07004	5.1
131.08560	27.8
131.09488	2.0
133.10138	24.3
135.08060	6.1
135.11662	11.8
137.05927	2.3
137.09612	3.9
139.07544	1.5
141.06976	1.4
141.09200	1.8
142.07716	2.4
143.08554	13.1
144.09299	1.9
145.10130	36.0
146.10536	1.5
147.06538	2.5
147.08052	6.7
147.11688	15.3
149.09619	4.4
149.13266	5.4
153.09143	1.6
155.08560	5.7
156.09375	1.8
157.10115	15.6
158.10843	1.4
159.11703	20.4
161.09573	6.3
161.13260	15.0
163.07550	1.5
163.11229	2.7
163.14853	5.1
164.15105	1.4
167.07062	1.9
169.10121	6.2
170.10854	2.1
171.11751	9.0
173.09628	2.8
173.13261	15.4
174.13719	1.5
175.11288	2.2
175.14804	11.9
176.15199	1.5
177.12794	2.4
177.16429	4.1
179.14343	2.0
181.10100	1.8
183.11713	5.0
185.13266	11.6
187.11163	1.9
187.14822	43.1
188.15181	2.2
189.05286	5.4
189.12712	6.4
189.16364	10.4
191.14346	3.6
195.11682	1.8
196.12219	1.5
197.13297	5.6
199.14793	13.3
201.12990	2.6
201.16385	16.4
202.16731	1.4
203.14328	39.3
203.17876	2.6
204.14809	1.7
205.15904	9.2
209.13271	1.7
211.14893	4.1
213.12759	1.8
213.16394	12.5
214.16580	1.6
215.14355	8.7
215.17961	3.5
217.15887	12.2
221.15503	1.5
225.16444	3.9
227.14250	1.7
227.18048	3.1
229.15819	7.2
231.17462	5.9
233.15327	4.9
235.16931	1.9
237.16464	1.8
239.18004	1.6
241.16006	1.4
241.19429	2.2
243.17392	1.7
245.15498	1.9
247.16870	2.2
251.17960	3.6
255.21179	1.4
269.18970	1.5
281.22455	1.7
283.20422	1.6
387.30798	1.8
391.30002	3.2
393.31317	2.1
403.29947	8.0
405.31625	3.5
409.30753	1.7
421.31107	7.4
423.32449	3.5
427.13361	1.6
431.29626	3.3
437.30481	3.7
439.32004	3.7
442.15976	8.0
443.16901	2.2
449.30508	8.8
455.31564	100.0
456.31903	12.3
467.31500	16.1
468.31686	3.0
485.32620	97.8
486.32947	10.8
496.34235	1.6
503.33640	49.2
504.34216	8.1
521.34692	3.0
667.23785	18.8
668.23621	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	667.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
54.38437	4.4
55.01876	8.0
55.05515	10.3
57.03439	4.7
67.05511	34.2
69.03433	22.0
69.07062	34.5
71.04993	9.5
71.30953	6.7
73.02931	5.5
79.05498	21.6
81.03423	12.8
81.07057	51.9
83.04984	9.6
83.08632	13.2
85.02909	57.7
85.06546	7.3
91.05483	28.5
93.07045	42.4
95.01260	4.4
95.04972	11.0
95.08616	64.6
97.02898	13.6
97.06524	7.9
101.05044	4.7
105.07025	49.1
107.08595	55.0
109.02861	7.5
109.06535	9.2
109.10157	47.3
111.08022	6.2
111.11650	5.5
115.05497	7.8
117.07036	15.5
119.08582	81.9
120.46054	4.9
121.06508	8.9
121.10138	56.0
123.08090	7.1
123.11716	21.9
125.09654	9.2
127.03938	15.0
129.07030	9.6
131.08542	37.6
133.10127	67.4
135.08063	6.2
135.11710	30.3
137.06000	8.2
137.13245	6.1
137.96059	4.3
142.07793	6.2
143.08582	27.0
145.04953	7.4
145.06444	8.8
145.10123	84.0
147.11696	34.9
148.11951	5.2
149.13289	14.1
151.11232	13.6
155.08543	13.0
157.10138	37.3
158.10780	4.7
159.11696	53.9
161.13266	31.0
163.11168	8.1
163.14865	15.2
167.07086	17.0
169.10043	5.2
170.10941	6.9
171.11696	23.5
171.33127	5.3
172.12218	5.8
173.05988	13.6
173.13234	32.1
175.07516	7.2
175.14850	22.2
177.16396	20.9
183.11722	33.0
185.13277	57.3
187.14824	100.0
187.16377	8.3
189.12720	6.0
189.16408	36.1
191.17993	11.4
197.13274	18.0
199.14832	45.1
201.16415	95.0
202.16837	8.5
203.14354	26.4
203.17944	23.8
205.08667	13.2
205.15875	35.2
205.19447	5.4
207.17477	7.7
209.13263	7.8
211.14702	10.8
213.16412	20.4
215.14348	8.4
215.17970	14.5
217.08678	9.4
217.12331	6.4
217.15939	8.8
219.13898	6.7
219.17542	9.3
223.17007	6.9
231.13922	5.3
233.15474	8.1
233.19063	7.5
233.99883	5.8
235.09865	6.4
245.15454	10.1
287.05554	20.8
330.11005	9.1
387.30460	9.3
389.32089	7.8
401.16254	6.2
405.31506	48.0
406.31555	6.2
407.33273	17.7
423.32581	11.4
425.34268	16.7
433.30948	35.3
451.32037	62.5
452.32333	7.4
455.31439	8.2
469.33261	28.5
485.32941	5.6
546.85602	5.0
631.38507	38.8
641.59821	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	667.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46103	1.6
51.02393	1.7
53.03938	4.7
55.01868	3.0
55.05513	12.4
55.29203	1.5
57.03435	7.3
65.03944	4.0
67.05505	26.0
68.05825	1.9
69.03427	10.0
69.07074	17.9
69.18211	7.8
69.18629	6.3
70.07411	1.7
71.04991	27.6
75.04497	2.8
79.05481	11.7
79.16728	1.6
80.05826	2.4
81.03413	5.0
81.07057	41.2
82.07378	5.1
83.04971	5.4
83.08622	5.4
85.02906	57.3
85.03434	2.8
85.06535	7.7
86.03249	2.8
87.00824	5.5
88.36379	1.6
91.05480	23.1
92.05800	3.5
93.07046	49.4
94.07382	9.9
95.04963	14.7
95.08605	71.4
96.08940	6.2
97.02890	6.3
97.06522	4.5
97.10159	3.2
99.04448	4.3
105.01861	5.5
105.06368	3.5
105.07036	43.8
105.07740	2.3
106.07362	6.7
107.08591	36.4
107.09277	2.5
108.08931	6.1
109.02871	2.3
109.06533	6.9
109.10155	51.1
110.10487	9.5
111.04442	2.4
111.08088	7.4
112.08396	1.8
117.07037	6.8
119.08582	68.8
120.08906	8.9
121.06510	5.6
121.10152	30.8
122.10463	7.1
123.08074	7.8
123.11725	8.6
124.12083	3.0
125.09589	2.9
127.03940	6.6
129.05487	8.2
129.06940	4.2
131.08565	19.0
132.08937	2.5
133.10141	31.7
134.10506	5.4
135.08055	5.9
135.11690	24.5
136.12033	6.3
137.05937	2.2
137.09622	4.7
137.13287	2.0
142.07811	3.1
143.08585	11.8
145.04970	2.0
145.06508	2.2
145.10126	34.6
147.06586	2.7
147.08044	4.9
147.10602	2.9
147.11694	33.2
148.12015	8.1
149.09657	5.0
149.13281	5.4
151.11238	2.3
155.08568	4.7
156.09331	2.3
157.10118	14.6
159.02821	2.1
159.11693	16.9
161.09619	6.5
161.13274	18.9
162.13557	4.2
163.11230	2.6
163.14786	5.4
165.12720	2.2
169.10190	4.7
171.11676	7.4
173.13239	16.6
175.11198	3.6
175.14781	13.2
176.15195	3.6
177.12726	4.8
177.16386	3.1
182.10959	1.9
183.11725	5.3
185.09431	2.4
185.13292	8.9
187.14839	38.6
188.15279	3.1
189.12759	8.2
189.16380	9.3
191.14308	6.7
193.12279	2.0
197.13264	4.9
199.14839	9.9
201.12785	3.0
201.16347	14.7
203.14314	39.2
203.17949	22.1
204.14636	2.3
204.18298	18.4
205.14227	2.1
205.15903	9.5
207.13768	2.4
209.13249	2.3
211.14703	2.1
213.16380	11.4
215.14301	7.6
215.17924	4.2
217.15872	9.7
221.19038	2.7
222.19389	2.1
223.14716	3.5
225.16412	2.4
227.17892	3.2
229.15877	6.6
231.17476	5.8
233.15317	2.6
247.16904	2.5
253.19534	3.6
287.05582	2.5
385.28299	2.3
391.29910	2.6
403.29803	8.1
405.31201	3.7
413.07639	1.9
421.30927	7.5
423.32547	6.3
437.30469	3.0
439.31973	6.1
445.54938	1.8
449.30661	10.1
455.31558	100.0
456.31540	10.0
467.31549	16.9
485.32626	97.0
486.32990	12.2
503.26627	3.5
503.33698	62.2
504.33884	5.2
521.34930	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85339	1.1
55.05513	1.7
56.34068	0.7
63.07948	0.9
64.66064	0.8
67.04388	0.8
67.05529	4.4
69.07067	2.3
69.18114	1.9
69.18525	6.6
79.05498	3.3
81.07040	4.6
83.08588	1.2
91.05492	1.2
93.07042	3.4
95.08593	5.4
97.10155	1.0
105.07016	2.3
107.08614	2.1
109.10137	1.5
119.08623	1.5
121.10141	1.5
132.21379	0.8
133.10149	1.2
158.30722	0.9
178.99214	0.9
333.20370	14.5
334.20581	1.0
343.99805	1.0
389.23004	6.5
440.29257	1.1
607.17035	2.1
608.17224	2.0
667.45422	100.0
668.45703	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	668.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01619	1.5
53.03955	1.8
53.37495	1.6
55.05511	13.4
57.03436	7.3
57.07081	9.3
61.02925	24.2
67.05505	54.7
69.03430	3.5
69.07072	16.8
71.05001	2.1
71.08627	2.2
73.02917	7.8
74.57346	1.3
79.05495	18.3
80.28704	1.3
81.07060	74.6
82.07401	1.9
83.04996	2.2
83.08630	10.3
85.02906	30.1
85.06545	5.1
85.10181	2.7
91.03960	22.5
91.05484	17.5
93.07043	19.5
95.04975	2.6
95.08608	54.4
97.02898	12.0
97.06539	4.5
97.10159	7.8
97.97705	1.6
99.04476	1.8
99.08110	7.8
105.07030	12.1
107.08577	14.4
109.06507	2.6
109.10160	20.4
110.10452	1.7
110.60737	1.4
111.08091	1.5
111.11736	3.2
113.09654	6.0
115.03967	1.6
119.08585	15.7
121.10151	17.7
123.08028	1.5
123.11717	12.7
125.09667	1.6
127.03934	9.4
127.11208	6.5
133.10149	17.6
135.11703	16.2
137.09647	3.2
137.13264	14.9
145.04964	11.5
145.10129	2.0
147.11691	12.7
149.13295	7.0
151.11241	2.2
151.14812	11.8
152.15129	1.8
161.13281	13.1
163.06023	16.5
163.14777	2.1
165.12755	2.1
175.14832	5.1
189.16426	2.8
205.50697	1.4
217.19521	74.5
218.19850	5.0
229.03491	1.9
235.20570	100.0
236.20946	7.5
253.21596	1.6
309.24222	39.8
310.24411	3.3
327.25214	8.9
471.29593	4.7
561.04791	1.7
640.55096	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
68.66230	0.3
69.03403	0.3
69.07054	0.5
69.62349	1.2
71.88672	0.2
72.29831	0.2
79.05476	0.7
81.03389	0.3
81.07031	0.5
82.90425	0.2
85.02885	0.4
91.05478	1.3
93.07025	0.4
95.08595	0.8
95.27872	0.3
98.22697	0.5
102.04671	0.9
103.05439	0.5
103.68018	0.2
105.07005	0.6
107.08597	0.4
109.02863	0.4
109.06532	0.4
109.10123	0.4
110.03629	0.4
112.95872	0.2
119.04912	0.7
119.08567	0.5
123.04380	0.4
123.11707	0.3
125.05951	0.3
127.03941	0.5
130.04103	0.8
131.04878	0.8
133.10109	0.4
135.04376	0.4
136.05151	1.0
137.05998	1.2
145.02859	0.3
146.03625	1.9
147.04417	2.2
148.05186	3.6
151.07518	0.3
153.01833	2.7
159.11568	0.3
161.05984	2.3
162.06728	0.8
163.03886	0.7
197.67368	0.3
198.22000	0.3
203.03366	2.1
207.00714	0.2
216.03654	0.2
219.61607	0.3
225.31621	0.3
229.04958	2.5
241.05090	0.5
242.05750	7.7
243.05939	0.4
253.04974	2.8
257.04449	41.6
258.05188	12.4
259.05582	0.8
263.06592	0.3
269.04428	1.2
270.05206	1.8
271.05954	0.9
278.97168	0.3
283.06137	0.5
284.06799	0.4
285.03928	6.5
286.04712	27.0
287.05463	13.1
288.05783	0.7
295.05945	0.6
295.09183	0.3
297.03900	4.5
299.05466	1.1
300.06308	0.3
315.24448	0.3
323.05524	0.4
327.04965	1.9
341.06433	1.7
363.08932	0.4
365.10446	0.6
373.07208	0.5
387.08359	0.5
389.06366	0.4
391.08112	0.5
403.07803	1.2
404.09134	0.3
414.07242	0.4
415.08099	0.8
432.08411	3.3
435.10828	4.4
436.11197	0.5
447.10764	22.3
448.11295	1.8
465.11813	100.0
466.12143	11.0
507.12585	0.4
625.27850	1.7
669.17761	3.4
669.25720	0.5
669.35944	3.7
670.18506	0.9
670.34503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
79.79897	0.7
81.07066	1.3
91.05505	1.1
94.88722	0.8
95.04983	0.8
97.30791	0.7
97.66570	0.8
105.07092	0.9
106.06603	1.0
107.08656	0.7
119.36654	0.7
120.08171	0.9
121.10260	0.7
133.10100	1.1
134.05948	0.7
144.08121	1.2
146.06021	2.1
159.09265	1.0
160.07523	1.2
174.05528	4.1
174.09273	0.8
192.06580	3.5
196.09946	1.9
202.05017	13.8
207.09163	1.3
209.10809	1.0
210.11374	1.1
213.10233	1.1
219.09378	1.0
220.06168	1.5
221.10837	2.0
222.11475	1.1
223.12277	1.5
233.10760	2.3
234.07610	15.0
234.11302	1.1
235.12291	1.8
237.10329	1.6
242.15594	0.9
247.12360	1.5
251.11902	1.2
260.11838	1.4
262.13528	1.0
272.11826	1.5
273.13113	1.3
274.13461	2.8
284.11850	0.9
285.13037	1.0
286.13403	4.3
287.10391	0.9
287.14175	1.8
288.15005	3.2
289.15674	0.9
298.13379	1.2
300.11954	1.2
300.14886	5.6
301.15671	1.1
302.13199	1.5
302.16269	5.0
312.15289	0.9
313.12296	1.3
314.12979	2.1
314.16617	1.7
316.14615	1.5
316.18185	3.2
325.16370	0.8
326.13071	1.2
328.14600	4.8
329.15149	1.0
330.16019	2.6
340.14536	2.1
341.15457	0.8
342.12048	0.9
342.15961	2.0
344.17776	1.0
356.17661	1.2
357.14310	1.0
374.19043	2.2
377.17874	1.3
383.12305	1.0
387.16275	1.2
388.16992	1.2
389.17624	2.1
390.18652	1.3
391.19229	1.1
392.16208	1.2
400.16693	1.3
401.17700	3.4
402.18152	6.5
403.19220	3.9
404.19748	2.6
413.17725	1.6
414.18430	2.3
415.19177	3.2
416.20084	6.6
417.21167	6.4
418.21606	4.5
419.22223	2.5
429.20798	2.2
430.21799	8.3
431.22906	3.8
435.21854	1.2
443.18350	1.9
445.20163	2.9
447.22104	2.0
448.19055	1.0
449.19595	1.9
454.17505	1.2
457.20007	1.3
458.21243	1.2
459.21939	4.7
460.22559	1.2
461.19681	1.3
462.20428	1.2
463.21326	2.4
472.23291	0.9
473.24026	1.6
475.21475	1.6
485.18762	0.9
486.20013	1.6
487.21518	3.9
488.22253	1.3
489.18768	6.0
490.19647	2.1
491.20270	6.8
493.18918	1.3
494.20523	1.0
499.21234	1.6
501.23096	5.9
503.20627	2.3
505.22217	2.8
507.20294	10.9
508.21060	2.3
517.22296	1.3
518.23663	0.9
521.21832	10.1
529.22461	1.0
531.24762	1.6
532.24475	1.0
533.25641	2.2
535.23938	4.4
536.24329	1.2
547.21161	1.1
549.21381	1.9
559.23621	11.6
560.23657	2.3
561.25232	10.9
562.21948	1.4
563.22980	10.9
564.23907	8.6
565.23773	1.0
575.19806	1.3
576.23425	1.1
577.24170	3.4
578.24664	1.8
579.22394	1.2
587.22644	2.0
591.25653	2.9
593.27393	2.4
594.25006	1.0
605.24017	6.6
606.23749	1.5
619.25562	40.0
620.26099	12.1
621.23621	1.3
622.24200	4.0
623.25854	0.9
636.25671	1.9
637.26569	63.4
638.26752	10.9
651.28162	100.0
652.28558	15.7
669.28668	2.6
669.40613	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	669.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06949	0.7
87.28652	0.6
91.05360	0.9
93.06941	1.2
105.06920	0.7
107.08504	0.7
113.47604	0.5
117.05658	0.6
118.06407	1.1
120.07999	0.7
129.06805	0.6
145.10020	0.8
157.07489	0.6
168.07863	0.8
171.09039	0.6
180.07904	0.7
181.07405	0.6
195.09001	1.1
197.10564	1.0
207.09076	1.3
208.09746	1.2
209.10559	2.3
210.11417	1.2
211.08440	0.7
211.12138	0.9
212.12964	0.8
219.09044	0.8
220.09819	1.0
221.10570	1.5
222.11443	1.1
223.08569	0.7
223.12157	2.4
224.12857	1.6
225.13680	2.2
225.15796	0.5
233.10587	0.8
235.08563	1.2
235.12103	2.2
236.12737	0.6
237.13629	1.9
238.14384	0.8
247.12215	1.1
249.10097	2.1
249.13702	1.7
251.11703	0.6
275.07999	1.5
277.09613	1.9
281.09470	0.5
291.10931	0.8
296.57001	0.6
300.11270	0.7
307.10550	0.7
311.10443	0.9
312.11343	0.8
313.11774	0.9
314.13193	0.6
325.12140	0.6
326.05692	0.6
326.12848	1.3
337.11792	0.7
338.12656	2.0
340.14365	1.6
345.90698	0.6
350.13043	0.6
354.12079	0.6
366.12286	0.8
368.13724	0.9
377.17734	0.7
381.14328	0.8
391.15015	0.6
396.12909	0.7
398.15445	0.6
399.16101	1.8
400.17004	0.8
401.17648	1.0
405.16943	1.6
412.17322	0.8
413.17410	1.9
414.18619	1.4
415.19507	1.4
417.16858	1.0
418.18030	0.7
419.18201	0.9
425.17245	0.8
426.14481	1.3
427.15369	2.5
427.20041	0.8
428.15912	1.2
429.15918	0.7
429.20712	1.9
430.14063	0.9
431.18625	1.2
433.20197	1.0
435.22110	0.9
441.17294	4.5
442.18109	3.5
443.18451	2.3
445.15967	0.9
447.21899	0.9
449.23544	0.7
454.14023	1.3
455.14682	1.9
455.19748	1.1
456.19745	1.7
457.20767	4.1
458.21384	1.2
459.18259	1.7
463.20953	1.0
467.18185	0.9
468.15900	0.7
469.16473	3.9
470.17413	3.4
471.21652	2.5
472.22379	1.1
474.20837	1.0
475.21075	2.5
476.21985	1.1
482.18533	0.6
483.18341	0.8
484.18863	1.9
485.20145	3.4
486.20547	1.2
487.16870	1.2
488.18033	1.2
489.22620	2.5
491.20871	1.1
497.16022	1.3
498.16614	1.1
499.21457	11.4
500.22241	4.5
501.18359	2.5
502.20078	1.8
503.20691	4.7
504.21179	1.5
511.20819	2.1
512.18427	2.3
513.19214	2.1
514.20117	1.2
515.20551	0.7
517.22357	9.9
518.23181	3.1
527.20795	20.1
527.28790	1.1
528.21423	5.6
529.21814	1.1
531.23737	1.0
533.21527	0.7
543.23938	16.4
544.24103	2.0
545.21747	5.7
546.22382	0.7
549.25012	1.0
555.20026	2.6
556.20825	0.8
559.23517	6.2
560.23779	1.3
569.21484	0.7
577.24481	1.2
587.22894	100.0
588.23260	15.4
591.25903	1.2
605.23572	2.3
609.26917	0.8
619.25519	72.0
620.25806	14.3
637.26483	8.4
638.27032	2.2
669.28564	1.4
669.38159	0.7
669.45215	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06609	2.1
69.06653	1.9
69.07079	2.6
81.07063	0.9
84.04514	1.6
93.07059	0.7
94.06602	0.5
101.07138	1.9
116.02682	0.5
118.06559	1.0
120.08134	0.8
144.08144	0.5
150.72417	0.6
156.08112	0.8
168.08188	0.4
171.09105	0.5
194.08249	0.6
196.09921	0.6
197.10710	0.6
207.09166	0.4
208.09941	0.8
209.10782	1.6
210.11522	1.4
211.12137	0.6
219.09120	0.9
221.10762	1.7
222.11467	0.6
223.12360	1.8
224.13068	0.8
225.13843	2.3
226.14453	0.5
233.10846	1.0
234.11571	0.6
235.08694	0.9
235.12364	2.1
237.10269	0.6
237.13994	1.8
249.10246	1.5
249.13824	1.0
251.11740	0.6
259.12308	0.5
263.08240	0.8
265.09689	0.4
268.22665	1.0
273.13974	0.6
275.08243	0.7
277.09827	1.2
291.11163	0.7
297.12915	0.6
314.12857	0.7
324.11548	0.7
325.12061	1.0
326.12921	0.5
336.11359	0.5
338.12909	1.1
340.14539	1.4
351.13864	0.6
352.14389	0.5
354.12509	0.7
366.12341	0.6
367.13309	0.6
368.14255	0.9
373.15460	0.5
387.16086	0.7
396.28256	0.6
399.16162	1.3
400.12622	0.5
400.17450	0.8
401.17795	1.0
405.17007	0.8
407.22342	0.7
410.15326	0.5
411.17148	0.5
413.17612	1.9
414.18304	1.6
415.19528	0.7
419.18533	0.8
426.14651	1.0
427.15219	3.0
428.16336	1.6
429.16272	0.7
429.21103	1.3
431.18332	0.6
438.15549	0.7
441.17123	3.9
442.17685	1.8
443.18555	2.0
445.16388	0.5
449.23172	0.7
455.14954	1.8
455.19867	0.6
456.19974	1.5
457.20746	3.3
458.20358	0.9
459.17807	0.6
460.18497	1.0
467.18320	0.5
468.16446	0.6
469.16693	4.2
470.17419	2.0
471.21912	2.5
472.22336	1.8
474.20853	0.8
475.21619	2.1
483.18427	0.8
484.19034	1.6
485.20010	3.7
487.17462	0.7
488.18201	0.5
489.23169	2.4
491.20874	1.5
497.16000	1.4
498.16757	1.3
499.21484	10.8
500.22226	4.8
501.19626	1.5
502.20126	1.0
503.20749	2.0
504.21390	1.5
507.23584	0.5
510.19971	0.7
511.22131	2.2
512.18799	1.5
513.19135	1.8
514.19971	0.6
515.20795	0.8
516.21997	0.6
517.22357	7.8
518.23090	1.2
527.20795	17.2
528.21417	4.7
531.23242	0.5
533.21918	0.9
543.23981	14.5
544.23981	1.5
545.21906	4.0
549.24615	0.6
555.19843	2.2
559.23438	3.4
560.23633	0.8
563.22827	1.4
577.24750	1.1
587.22888	100.0
588.23193	12.3
605.23663	1.8
619.25525	52.7
620.25806	9.2
637.26489	13.7
638.26965	2.0
669.39325	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	669.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66941	0.5
52.35686	0.6
65.05531	0.5
69.09022	2.2
69.09446	2.7
77.35146	0.5
79.05396	0.6
91.05376	0.6
111.82628	0.5
113.10197	0.5
118.06418	0.9
120.07977	1.2
134.05876	0.8
144.07927	0.7
150.72285	0.6
150.73340	0.9
158.09561	0.6
172.80156	0.5
181.07405	0.6
193.07411	0.6
195.08974	0.7
196.09724	1.1
197.10445	0.7
198.11229	0.7
207.09012	2.0
208.09753	1.5
209.10573	2.0
210.11432	1.3
211.12234	0.6
219.09061	0.8
220.09897	0.7
221.10457	1.7
222.11531	0.7
223.12352	2.8
224.12833	1.0
225.13887	3.6
226.14325	0.8
233.10605	0.5
234.11603	0.5
235.08446	0.8
235.12186	1.7
237.10257	0.5
237.13803	3.0
238.14412	0.7
247.08443	0.8
247.12331	0.7
249.10112	1.6
249.13710	1.6
251.11798	0.7
263.08060	0.7
273.13589	1.0
274.14380	0.7
275.08026	0.9
277.09500	1.5
291.11121	1.1
323.61133	0.6
324.14865	0.7
325.11789	0.9
326.12869	1.4
337.11734	0.8
338.12836	1.1
340.10574	0.9
340.14319	1.5
350.12463	0.7
352.10400	0.8
354.12222	1.3
364.14328	1.2
366.12225	0.9
368.13943	1.1
382.11301	0.7
382.15927	0.6
394.15527	0.7
399.15900	0.6
400.16946	1.6
401.17725	1.5
402.15314	0.7
404.20377	0.7
405.16846	0.9
410.15027	1.0
412.13184	0.7
413.17902	1.3
414.18188	1.9
415.19043	2.1
417.16852	1.3
419.18747	1.0
426.14511	1.2
427.14758	2.6
428.16055	2.2
429.16254	1.0
429.21317	1.3
440.16754	1.1
441.17145	3.5
442.17801	2.9
443.17932	2.8
444.19250	0.7
445.16074	1.0
447.22375	1.0
455.14838	1.9
456.19693	1.5
457.20535	5.5
458.20795	1.4
459.17752	1.0
460.18671	2.1
461.19254	0.7
468.15448	0.7
469.16318	3.8
470.17166	2.0
471.21780	3.2
472.22318	2.4
473.19360	1.0
474.20294	0.9
475.21603	3.5
483.18088	1.0
484.18863	2.5
485.19766	4.1
486.20654	1.2
489.23511	3.3
491.20694	2.2
497.15958	1.6
498.16919	1.1
499.21555	13.6
500.22134	5.9
501.18338	2.9
502.19800	1.3
503.20740	3.8
504.21628	1.6
510.19739	0.7
511.21112	2.4
512.18835	1.8
513.19440	3.1
516.21234	0.7
517.22278	12.9
518.22955	3.1
527.20746	20.6
528.21277	4.3
529.22058	1.0
531.24225	1.3
533.21759	0.9
543.23932	15.1
544.23877	2.2
545.21899	5.4
546.22095	1.4
549.24628	1.2
555.20197	3.1
559.23425	6.6
560.23724	1.1
561.24725	0.7
563.22412	0.7
577.24298	2.3
587.22870	100.0
588.23254	17.5
591.25800	1.3
605.23920	2.5
619.25513	78.7
620.25836	13.6
637.26550	11.6
638.27014	2.1
651.28235	1.5
669.28857	1.9
669.40240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79549	0.3
60.85682	0.3
67.54128	0.4
69.09892	0.9
69.10307	1.9
73.16826	0.4
94.06586	0.8
103.62924	0.3
105.07049	0.4
120.08111	3.5
132.08134	0.3
146.06090	0.7
156.08163	0.4
158.09665	0.6
171.09215	0.6
185.34911	0.3
195.09154	0.6
196.09848	0.6
197.10757	0.4
211.08629	0.6
223.12315	0.6
225.10251	0.7
225.13933	0.5
237.10257	0.9
237.14027	0.5
239.11836	0.5
249.10367	0.4
251.08257	0.6
251.11777	0.4
253.13406	0.5
255.11383	0.4
261.13861	0.4
264.09088	0.5
265.09766	0.4
286.13477	0.6
288.11484	0.4
296.11868	0.6
297.12482	0.7
300.11523	0.7
301.12054	0.9
302.12814	0.8
312.11359	0.7
312.14880	0.5
314.12796	0.9
315.13779	0.8
316.14505	1.0
326.12915	1.3
326.16516	0.5
327.10150	0.6
327.13745	0.8
328.14502	1.4
330.16086	0.7
332.17389	0.6
339.13824	0.9
340.14468	1.2
341.11722	0.9
342.12271	1.7
342.16168	0.6
343.13217	0.9
344.13928	1.1
346.11829	0.5
352.14597	0.5
354.12332	0.6
354.16113	0.6
355.13196	0.6
356.13818	2.1
358.15607	1.2
360.13516	0.8
361.14441	0.5
362.15213	0.4
363.16391	0.5
365.15875	0.5
368.13895	0.5
370.15564	0.9
371.16144	0.5
374.15118	1.2
376.17059	0.7
377.17615	0.8
382.15472	0.7
383.16562	0.6
388.16681	1.2
389.17877	0.9
390.18619	0.7
391.15280	0.6
396.13531	0.4
398.14752	0.6
401.17987	0.8
403.15060	0.6
403.19604	0.9
404.16245	1.2
405.17188	1.2
405.21353	0.7
410.15378	0.5
414.18225	0.5
415.19339	0.8
416.16229	1.0
417.16461	0.8
418.17813	0.7
419.18652	1.4
420.18982	0.9
426.18188	0.4
429.17227	0.7
430.17883	0.6
431.18704	1.2
435.21857	0.6
442.17947	0.4
443.18469	0.7
445.21094	0.5
446.17209	0.8
447.18378	1.3
448.18634	0.5
449.24081	0.6
459.17761	0.5
461.19812	1.2
462.20493	1.2
463.20941	2.5
465.19556	1.5
470.16718	0.6
474.20648	0.5
475.21701	2.4
477.23425	0.6
479.20493	0.6
489.22623	1.3
490.19440	0.9
491.20612	4.0
494.23032	0.6
499.21359	0.9
500.22293	0.4
503.20782	1.7
504.21408	0.5
507.20081	11.2
508.20743	1.5
517.22650	2.4
518.22870	1.3
521.25586	1.2
522.26245	0.5
530.19360	0.5
535.23364	1.7
545.22308	0.8
549.25177	2.0
550.25958	0.5
553.27911	0.5
561.24725	0.9
563.22882	0.6
566.25140	1.2
567.25476	0.5
577.24652	3.3
578.25214	1.1
581.27704	0.6
587.22906	0.9
605.23926	1.8
609.27020	6.8
610.27509	1.1
619.24884	1.1
622.24487	0.5
637.26556	100.0
638.16302	0.8
638.26892	14.7
669.29132	4.0
669.41437	1.4
670.30164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Agrimol G
Peak:m/z	Relative Intensity
69.26500	5.2
75.97301	0.8
81.07052	1.6
91.05504	1.1
108.08167	1.2
117.83651	0.8
119.08651	1.1
120.08055	2.2
121.40539	0.8
134.06020	1.9
148.11217	1.0
156.93733	0.9
174.09221	1.0
178.05011	2.9
197.10806	1.6
211.08711	1.9
211.12366	1.2
213.10309	1.1
223.12167	1.3
225.10316	3.0
227.11853	1.6
237.10246	1.2
238.10983	1.1
239.11873	2.3
240.12666	1.0
241.13475	2.2
251.08275	2.0
251.11850	1.1
253.09732	1.1
253.13370	1.8
263.08432	1.0
265.09824	1.2
267.11365	1.6
269.12836	1.1
280.08401	1.4
285.12372	1.5
299.13953	2.3
301.12061	0.9
302.12820	1.2
311.10675	1.2
316.14447	1.6
325.12320	1.6
326.12906	1.8
328.14386	1.2
338.12885	1.3
340.14630	1.7
342.12335	2.0
342.16113	1.5
343.12924	1.2
352.10822	1.2
354.12259	1.8
356.14047	2.1
366.12225	1.7
370.15561	1.3
372.17334	1.4
380.13773	1.2
386.15359	1.5
388.17410	1.2
404.16168	1.2
417.17258	2.3
419.19092	1.7
421.20538	1.2
431.18887	1.1
432.14954	1.2
445.16260	1.3
446.17194	1.8
447.18112	2.6
448.19113	1.9
449.19916	1.6
452.22244	1.1
453.22311	1.2
461.19821	3.4
463.21439	1.9
465.19165	2.8
466.19617	1.0
471.17651	1.3
475.17584	1.4
475.22015	1.2
477.19122	1.8
485.19815	1.2
489.19141	3.2
489.23322	2.8
490.20251	2.6
491.20941	2.8
493.22583	1.7
499.22229	1.0
502.20209	1.3
503.20908	5.6
507.20593	3.5
516.21765	1.1
517.19238	6.2
520.21191	1.2
521.22205	1.9
532.23932	1.2
533.21997	1.6
534.23114	1.4
535.24127	5.4
539.26080	1.0
545.21875	2.1
548.24042	1.4
549.24945	3.4
551.27142	1.0
559.23724	1.1
561.21619	2.6
562.21765	2.2
567.25732	3.5
576.23755	5.1
577.24384	2.8
591.26007	3.6
595.25726	2.4
604.22931	2.6
605.23816	2.1
609.27301	5.5
610.27130	1.6
619.25342	4.4
627.28204	6.6
637.26678	6.7
638.26929	1.4
641.29230	1.0
651.28143	100.0
652.28412	14.9
654.26868	4.6
661.46606	1.2
669.29150	65.5
669.40161	3.1
670.29681	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	669.2919
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
65.80682	1.3
67.05512	3.6
68.56491	1.5
69.11048	4.2
69.11468	9.1
93.07052	1.9
119.08591	1.5
136.89410	1.5
156.63037	1.5
166.49768	1.3
195.09193	1.7
201.06110	1.5
209.10785	3.6
211.12305	3.3
223.12424	5.4
224.13177	3.9
225.13815	7.6
226.14665	2.2
235.12419	1.7
237.13943	5.0
238.14696	2.6
239.15427	1.8
247.12306	2.2
249.10204	2.8
249.13997	2.4
253.13412	1.7
261.13809	1.8
265.13486	3.4
265.54752	1.4
267.15051	4.1
275.15451	3.1
277.16833	1.6
293.12708	2.5
303.15005	3.0
320.72437	1.5
325.11960	1.4
391.19229	2.1
405.12787	1.6
406.18280	1.5
407.22220	1.8
421.20383	1.8
433.21024	2.2
435.21811	4.5
447.18246	4.4
462.20438	2.6
463.21228	9.6
464.22067	1.7
475.21487	1.7
489.19107	2.2
491.20514	1.7
492.21255	1.9
495.24249	2.1
505.25607	2.1
520.20795	1.8
523.26965	6.6
549.25061	16.7
549.32635	2.1
550.25439	4.5
555.27069	1.5
577.24731	11.2
578.25153	4.6
581.27545	2.3
582.28308	10.5
583.28717	1.7
587.48877	1.9
591.25891	4.5
605.24139	17.2
606.24164	3.0
609.27069	47.1
610.27271	8.0
637.26587	79.9
638.26855	11.2
639.44098	2.0
669.29175	100.0
669.45929	10.8
670.29309	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	669.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05039	0.8
51.02382	1.0
53.03949	3.0
55.01871	3.4
55.05503	5.9
57.03451	5.8
58.97571	0.8
61.02931	6.9
67.05505	6.5
68.41807	0.8
69.03430	22.0
69.07071	72.4
69.09745	6.2
70.06596	1.0
70.07387	1.0
71.04984	3.9
73.02912	3.1
73.06561	10.1
79.05494	9.5
81.03414	10.3
81.07066	13.7
83.01342	1.1
83.05007	2.0
83.08640	1.2
85.02908	49.2
85.06538	1.3
87.04460	3.2
91.03964	1.7
91.05478	11.6
93.07047	17.7
95.04971	4.1
95.08597	8.8
97.02896	19.3
97.06538	19.5
98.03209	1.1
99.04453	3.0
99.08093	1.7
103.05473	1.0
105.04494	1.2
105.07031	20.0
107.04961	2.2
107.08598	11.6
109.02883	8.8
109.06525	22.9
109.10149	5.2
111.08058	1.6
111.29644	0.8
115.05453	1.8
115.06767	1.7
115.07578	30.5
116.06251	1.0
117.06995	9.5
119.08578	24.4
121.06510	14.6
121.10144	11.6
122.06818	1.0
123.08102	1.9
123.11757	1.3
125.05993	2.0
125.09634	2.9
127.03924	10.1
127.07507	1.3
127.11235	1.7
128.06221	5.2
129.07002	8.8
130.07799	2.1
131.07669	1.5
131.08577	15.7
133.10132	12.0
135.08032	7.0
135.11734	2.9
137.05981	3.5
137.09634	1.6
139.07556	1.2
140.74425	1.0
141.06973	4.7
142.07782	3.1
143.08566	40.9
144.09013	1.1
145.04979	7.4
145.06465	1.4
145.10123	55.4
146.10432	1.4
147.08041	3.4
147.11696	13.8
149.09602	2.2
149.13266	2.2
153.06999	1.1
154.07771	1.0
155.08548	13.7
156.09271	0.9
157.06493	4.1
157.10126	22.8
159.08044	2.9
159.11700	14.4
161.09628	4.1
161.13289	3.0
163.11197	11.6
163.14940	1.1
165.06976	2.7
166.07726	1.3
167.08537	3.3
167.10686	18.4
168.09399	1.3
169.10126	15.0
170.10786	1.4
171.08066	2.7
171.11691	13.2
172.12221	1.2
173.09660	8.1
173.13278	7.8
175.11226	2.4
175.14850	1.4
178.07841	1.8
179.08476	4.2
180.09354	0.9
181.10101	9.1
181.11684	0.9
181.12294	1.1
182.10847	2.2
183.11708	9.7
184.12393	2.4
185.09659	2.0
185.13260	13.2
187.11124	2.8
187.14838	2.2
189.16280	1.1
192.09335	3.9
193.10147	9.9
194.10864	3.2
195.11710	7.4
196.12369	2.0
197.13248	9.0
198.14203	0.9
199.11211	1.6
199.14803	7.7
200.15277	1.5
201.16478	2.0
203.14310	1.0
205.10100	2.3
206.10927	2.0
207.11690	14.2
208.12326	2.1
209.13274	6.6
210.13942	1.7
211.11320	2.1
211.14830	6.7
213.12772	2.7
213.16367	12.8
215.14163	0.9
215.17982	3.5
219.11713	4.8
220.12444	3.9
221.13268	7.3
222.13799	1.3
223.11304	1.0
223.14841	15.2
224.15506	2.2
225.12769	1.8
225.16338	8.0
227.14267	3.6
228.15089	2.0
229.19383	1.0
234.14023	3.2
235.14377	1.3
237.16313	2.1
238.13448	1.0
239.14326	3.5
239.17926	14.7
241.15916	6.6
243.17424	2.2
243.21169	1.0
249.16382	46.7
250.16782	3.3
257.18994	1.0
267.17438	100.0
268.17773	8.0
269.13943	1.9
269.19034	4.0
269.22452	1.1
271.20566	1.7
279.20987	4.4
285.18491	78.8
286.18817	4.9
287.20157	1.5
297.22122	16.0
300.85898	0.9
303.19562	2.8
309.18524	3.4
315.23270	4.7
327.19568	24.5
328.19992	1.5
339.23633	1.2
345.20618	56.7
346.21011	5.0
347.22034	1.3
353.44846	0.9
357.23877	1.9
363.21692	10.2
364.21933	1.1
375.26517	2.2
383.29285	1.5
385.27222	3.7
393.27835	6.7
411.28906	12.5
429.29962	9.2
451.10110	1.7
471.31155	5.7
489.32147	12.7
490.32236	1.8
507.33182	77.1
508.33734	9.2
565.33350	2.3
625.26245	1.5
633.35724	2.3
651.37164	3.5
669.27533	1.4
669.38135	8.4
670.38092	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.88749	0.6
55.01873	3.4
55.05512	5.2
57.03430	5.8
57.07061	0.8
61.02924	5.5
65.03928	0.8
67.05506	6.3
69.03429	19.0
69.07068	52.9
70.07375	0.8
71.04994	3.1
73.02908	2.0
73.06554	7.1
75.12843	0.6
77.03941	0.6
79.05064	0.6
79.05497	8.7
81.03414	8.4
81.07050	11.4
82.07396	0.7
83.04988	1.0
83.08617	1.2
85.02903	41.1
85.06537	2.1
86.03201	0.7
87.04467	2.9
91.03951	1.5
91.05479	11.0
93.07045	16.8
95.04983	6.2
95.08602	8.8
97.02888	14.9
97.06532	14.4
97.10152	1.2
98.22588	2.3
99.04431	3.0
99.08102	1.7
103.05434	0.9
105.07026	22.1
106.07328	0.8
107.04961	2.7
107.08584	8.8
109.02869	3.8
109.06515	25.5
109.10156	5.2
110.06760	0.7
111.08086	1.8
113.05998	1.7
115.03947	0.6
115.05452	1.2
115.07565	22.3
117.07008	7.6
119.08584	18.7
121.06507	11.5
121.10144	9.6
123.04450	0.7
123.08081	2.3
123.11716	1.5
125.09609	3.1
127.03925	7.4
127.07542	0.9
127.11218	1.7
128.06178	2.9
129.06995	7.4
130.07726	1.7
131.08569	15.1
133.06479	1.3
133.08609	0.6
133.10133	8.1
134.10486	0.7
135.08081	3.3
135.11708	3.1
137.05984	4.2
137.09618	2.3
141.06990	4.3
142.07793	2.5
143.08560	21.5
144.08881	1.1
145.04961	6.3
145.06473	1.0
145.10123	27.5
146.10458	1.0
147.04320	0.6
147.08034	2.5
147.11681	38.2
148.12006	1.0
149.09615	2.5
149.13260	2.2
151.07547	0.7
153.07007	0.9
154.07762	1.0
155.08551	13.3
156.09282	1.8
157.06525	0.9
157.10121	14.1
159.08023	2.3
159.11691	17.3
160.12183	1.0
161.09613	4.0
161.13245	4.2
163.11195	2.7
163.14847	1.0
165.07043	2.0
167.08545	4.1
167.10670	14.6
168.09352	1.5
169.10106	12.4
170.10748	1.1
171.08101	3.3
171.11685	11.3
172.12306	2.0
173.09648	5.5
173.13261	9.3
174.13551	0.6
175.11180	1.7
175.14796	1.6
177.09198	0.7
177.12796	0.8
178.07745	1.4
179.08482	3.9
180.09404	0.9
181.10106	8.8
181.12172	1.1
182.10741	0.9
183.11690	12.4
184.12265	2.1
185.09612	1.6
185.13242	9.3
187.11212	2.1
187.14796	2.2
189.05296	0.9
189.16393	1.0
191.08527	1.2
191.10612	1.4
192.09320	3.3
193.10121	9.6
194.10841	2.3
195.11682	8.8
196.12381	1.8
197.09610	1.1
197.13269	9.7
198.13939	1.5
199.11157	2.1
199.14819	7.2
200.15184	0.7
201.12794	1.3
201.16426	3.0
205.10109	2.7
206.10922	2.2
207.11659	12.7
208.12433	2.6
209.13274	5.7
210.14021	1.7
211.11198	2.4
211.14783	6.4
212.15518	0.8
213.12782	1.4
213.16324	4.0
215.17853	1.0
219.11658	4.2
220.12442	4.3
221.13254	6.7
223.14812	14.0
224.15469	1.9
225.12770	1.5
225.16351	6.2
227.14389	2.9
227.17921	1.1
228.15106	2.3
229.15996	1.2
234.14014	5.7
237.16301	1.5
238.13541	2.0
239.14398	5.1
239.17946	13.4
240.18423	1.1
241.15887	4.6
243.17529	0.9
247.14799	1.5
249.16385	54.5
250.16757	3.2
251.17947	2.1
253.19543	0.9
257.19019	2.6
265.15967	0.8
267.17432	69.7
268.17780	5.8
269.13898	1.0
269.18973	2.0
269.22678	1.1
271.20547	0.9
279.21091	4.9
285.18481	53.6
286.15964	0.7
286.18732	4.2
287.20154	1.3
295.20648	0.8
297.22116	11.1
303.19629	2.1
309.18509	5.2
315.23135	4.7
316.23505	0.7
327.19519	23.8
328.19812	2.0
339.23151	0.8
345.20605	100.0
346.20978	8.0
347.22250	0.8
357.24127	1.9
363.21539	4.2
375.25784	1.9
385.27374	2.0
393.27795	6.0
411.28931	9.2
429.30032	9.4
442.10745	0.8
453.29944	1.5
471.31155	6.4
487.31332	0.9
489.32111	14.8
490.32336	2.2
507.33163	63.3
508.33548	6.9
565.33685	2.6
591.34766	1.1
633.35901	1.7
651.37634	3.6
669.24744	4.5
669.38092	6.1
670.26685	1.0
670.38129	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05643	0.2
69.09878	0.7
69.10278	2.0
95.63100	0.3
95.97782	0.3
207.67574	0.3
403.07941	0.3
463.26767	0.6
489.09619	0.3
637.26263	0.5
669.39764	100.0
670.40088	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	669.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
53.45641	1.6
55.01878	5.0
55.05516	18.5
57.03419	5.1
57.07079	4.9
60.04523	1.6
61.02917	2.6
65.03952	2.4
67.05509	21.8
69.03442	11.8
69.07070	31.3
70.06591	4.1
70.65459	4.5
71.04982	9.1
73.02956	1.6
79.05492	21.6
81.03428	6.5
81.07061	100.0
82.07386	2.6
83.04958	4.3
83.08628	14.6
85.02915	33.7
85.06551	8.1
86.06066	3.9
87.00842	4.8
91.05475	15.2
93.07053	33.3
94.07358	2.1
95.04970	6.5
95.08610	66.2
96.08932	3.4
97.02908	11.8
97.06528	6.5
97.10184	14.4
97.50112	1.8
99.04472	2.7
99.08096	6.8
105.01852	5.7
105.07051	17.4
107.04974	2.6
107.08607	32.4
108.08945	3.7
109.02876	6.6
109.06550	3.5
109.10166	48.7
110.10525	2.9
111.08092	8.1
111.11729	9.0
113.09698	2.7
115.03931	2.2
116.10728	7.1
117.07009	2.6
119.04964	2.3
119.08587	14.4
120.08105	2.6
120.08886	3.1
121.06481	4.1
121.10149	24.6
123.04441	1.8
123.08085	2.5
123.11712	36.0
124.12069	4.7
125.09641	5.6
127.03919	10.6
127.11210	2.1
131.08578	3.4
133.10149	8.1
135.08095	3.1
135.11703	23.9
136.07619	4.2
136.12051	4.2
137.06003	4.5
137.09628	2.6
137.13290	11.7
139.11177	2.2
143.08539	2.2
145.04977	8.2
145.10103	6.9
147.07993	3.1
147.11732	9.5
148.12065	1.9
149.09572	2.5
149.13278	23.8
150.13585	3.0
151.07549	1.8
151.14844	7.1
153.12733	2.6
157.10101	2.4
159.11656	4.5
161.05994	2.1
161.13290	4.9
163.06041	4.5
163.07465	2.5
163.11209	2.3
163.14850	19.5
164.07040	4.2
165.16353	3.4
167.07100	3.9
167.14365	3.9
169.10124	2.0
171.11662	2.6
173.09703	2.1
175.11153	2.2
175.14845	2.9
177.16440	9.7
179.17882	2.1
181.15834	9.4
187.14883	1.9
188.15326	2.2
189.16431	2.9
191.17981	5.2
193.12285	2.0
193.19450	2.1
195.17519	2.9
199.11224	2.0
199.14786	2.6
201.16322	2.8
203.17958	5.4
205.19551	7.4
206.19901	4.7
207.11745	2.9
211.13197	1.9
217.12390	2.5
217.19542	3.8
221.18973	2.2
223.20584	2.0
225.49579	1.7
249.06075	3.1
261.25797	4.3
273.25735	12.2
279.26813	8.2
291.26825	46.5
292.27090	5.2
297.28162	2.5
309.27887	7.6
344.24258	5.2
345.24530	8.5
379.08829	2.2
391.93698	1.7
453.32233	2.9
507.29919	7.2
555.59314	1.8
669.34723	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	670.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
53.33575	0.5
55.01854	1.6
55.05507	1.4
56.05032	0.6
57.03415	1.4
57.07076	0.5
61.02914	1.2
63.30423	0.6
67.05505	3.2
68.25358	0.5
68.99796	0.7
69.03082	0.8
69.03431	11.7
69.07056	1.7
69.22862	3.6
70.06588	0.6
71.04982	2.2
71.08640	3.5
72.08148	1.3
73.02924	2.6
75.72611	0.4
79.05505	5.5
81.03420	12.2
81.07066	3.8
83.04971	1.7
83.08624	0.8
84.08138	0.6
85.02907	15.4
86.06071	19.2
87.00832	5.1
87.04468	2.6
91.05481	3.6
93.07050	3.1
95.04964	2.4
95.08595	3.5
96.08130	4.9
97.02894	6.5
97.06520	1.9
98.06029	1.0
98.09696	6.5
99.04456	4.8
99.08081	2.2
100.07600	0.9
103.03953	1.1
105.01834	3.3
105.07058	3.0
107.04957	4.8
107.08585	2.3
108.08141	1.1
109.02888	8.8
109.06547	1.0
109.10146	2.1
111.04451	0.7
112.07623	0.6
113.08376	0.5
114.09142	0.9
115.03915	0.7
116.10737	23.9
116.40254	0.5
117.01852	1.1
117.07003	1.8
117.11066	0.8
119.08556	2.4
120.08101	0.5
121.06490	1.5
121.08894	0.7
121.10154	3.1
122.09695	1.1
123.11651	0.8
124.07575	2.8
125.05972	1.0
127.03921	12.8
129.01823	0.8
129.05540	0.8
129.07011	1.4
131.04904	0.7
131.08591	2.8
132.26692	0.5
133.10110	0.8
135.08035	1.0
135.11717	1.4
137.05962	1.2
142.08656	6.2
142.12276	100.0
143.10632	1.2
143.12610	3.5
145.04980	3.9
145.06458	1.2
145.10135	5.2
147.08076	1.2
147.11703	1.1
149.09595	1.4
152.10687	0.7
154.12193	0.7
155.08563	4.2
159.02898	2.8
159.11697	1.0
161.09584	1.1
163.11191	2.3
166.83881	0.5
173.09634	5.0
187.06050	1.0
189.16394	0.6
191.10652	7.4
192.13844	0.6
212.16414	0.9
214.17966	2.5
225.18481	0.6
231.05029	2.2
238.86340	0.5
253.14322	1.1
254.17474	4.8
263.16501	0.6
275.07654	0.6
287.05478	2.2
301.61548	0.5
306.20712	4.7
324.21704	32.1
325.22220	2.4
361.24310	0.7
390.17526	7.8
391.18002	0.6
401.06937	0.5
404.28036	2.6
422.29056	7.3
423.29489	0.8
485.23422	1.0
528.28094	15.5
529.28522	1.6
554.25244	0.8
572.27026	70.2
573.27362	8.1
596.69794	0.6
626.35205	2.8
670.23657	0.7
670.34454	12.9
671.34613	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81234	1.4
62.47053	1.5
69.05818	11.1
87.83592	1.4
172.09914	2.1
182.09712	1.7
183.09219	2.4
195.09262	1.6
201.10268	1.7
213.06569	3.2
215.11841	1.6
221.10728	3.2
223.12349	3.4
233.10582	1.9
235.08745	1.5
237.10228	4.6
243.11308	7.8
247.12114	3.2
249.10266	4.3
249.13924	1.9
251.11746	2.4
261.10239	1.8
261.13889	2.1
262.11029	3.1
263.11801	5.5
271.06039	37.5
274.13364	1.7
275.11813	3.1
276.11453	1.9
288.12387	2.2
289.13174	2.6
290.13672	2.5
291.11353	3.2
295.14606	1.6
300.11267	1.7
302.12851	3.2
303.14261	1.5
304.14581	2.5
306.13492	2.5
307.13834	1.6
309.15927	1.7
316.14502	3.8
318.12460	1.6
321.15936	3.2
332.13834	2.6
332.48013	1.5
333.14645	5.4
337.15533	4.4
346.15536	1.9
351.16190	2.2
362.69608	1.6
365.13791	1.9
365.18121	3.2
375.16296	2.3
377.17847	1.9
378.15002	1.7
379.15421	2.8
379.19659	2.0
381.17242	1.8
391.19489	3.0
392.16464	2.2
393.16727	3.6
393.21259	3.1
394.17789	2.6
395.18518	4.0
397.17648	2.9
403.19516	2.1
404.16473	1.8
405.16925	2.2
406.17511	1.8
407.18726	5.5
409.20325	3.5
410.20966	1.7
411.21582	2.5
417.17053	3.6
419.18747	5.0
420.19644	3.0
421.20453	3.8
422.21570	1.8
423.17773	3.5
423.22775	1.7
431.18738	3.4
433.20313	2.0
434.21506	2.0
435.18140	5.6
436.18948	5.8
437.19540	17.5
438.20331	3.5
445.20416	2.6
446.20419	1.9
447.22760	1.8
448.19162	1.8
449.19455	10.2
450.20413	6.7
451.21207	8.5
453.22873	10.4
461.19928	2.1
462.20300	3.3
463.21347	5.2
464.22507	3.1
465.22470	5.0
468.17960	5.0
469.26099	2.0
475.21326	12.4
476.18805	1.7
477.18524	3.5
479.20004	2.6
481.22208	4.5
482.22992	2.5
483.24106	1.9
490.19644	2.7
491.20712	11.6
492.21594	8.5
493.22192	5.5
494.22955	3.2
497.25610	7.4
498.25992	2.1
503.20486	2.9
505.22134	2.6
507.20154	6.6
507.25278	2.2
508.24841	4.5
509.21518	9.5
510.22333	5.7
512.27734	6.0
519.19989	3.2
521.21533	2.4
522.22638	29.2
523.23431	16.2
524.24231	21.6
525.25061	13.5
533.22076	1.8
535.23322	3.9
536.24121	2.3
537.21643	2.5
538.25989	2.6
539.26801	3.1
540.27643	11.9
545.25507	4.1
549.25439	2.2
551.22864	40.1
552.23505	11.8
553.24194	2.2
561.25140	1.9
567.26367	8.4
577.24261	2.0
579.22437	5.7
584.26074	3.4
589.24310	6.1
595.25958	7.8
596.25415	3.3
597.23688	7.4
599.28424	2.7
607.24384	1.8
609.26648	6.2
611.25000	96.8
612.25311	15.3
621.23816	2.1
627.28210	27.4
628.29028	1.8
639.24408	76.1
640.24634	12.4
653.28656	3.1
671.30383	100.0
671.41241	46.2
672.30597	15.4
672.41443	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	671.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18753	0.8
55.76124	0.8
60.97412	0.9
61.79167	0.8
67.05500	2.2
71.31691	1.4
79.05509	1.8
81.07063	1.1
89.19457	1.1
91.05469	1.7
92.19228	0.9
93.07060	1.3
95.04976	1.6
95.08591	1.2
102.94582	0.9
105.07046	1.3
120.08134	1.2
152.06218	1.2
153.06979	1.7
197.35417	1.1
209.10707	1.4
211.12315	0.9
221.10599	1.0
223.12238	2.3
224.13101	1.5
225.13928	1.4
235.12410	1.8
237.13933	2.7
238.14664	1.7
239.15596	1.1
247.12325	1.5
251.15477	1.9
261.14038	1.6
285.14148	1.0
328.14160	1.3
352.17545	1.0
363.16760	1.5
365.17874	3.1
365.66751	1.1
366.18802	1.9
377.17709	1.5
379.19540	1.5
380.20453	1.2
381.20789	2.6
392.20758	1.2
393.16708	1.1
393.21216	2.3
394.21548	2.1
395.22342	2.2
404.16006	1.2
406.18497	1.3
407.18695	1.5
408.19916	1.5
409.20605	1.2
419.22443	1.3
421.20361	2.3
422.18527	1.3
423.21698	1.8
431.18900	1.0
435.22189	2.0
436.22949	1.8
437.23343	3.0
439.21393	2.0
449.19559	2.1
450.20532	1.1
453.22623	3.2
454.23682	2.2
463.21594	1.7
464.22028	1.3
465.22888	2.8
475.21854	1.5
480.21591	1.4
481.22546	1.6
482.23163	10.3
483.23996	1.2
509.21591	3.7
510.22485	2.6
519.20258	1.2
533.21802	1.1
534.21521	1.2
537.21844	1.8
541.23901	3.2
551.22528	2.1
559.61102	1.0
561.21857	1.2
569.23999	19.3
570.24048	2.6
577.24335	1.7
579.21973	2.2
593.23590	1.5
595.25964	1.6
597.23456	14.6
598.23053	2.0
601.25867	1.2
607.24481	1.5
611.24762	2.2
612.25671	3.1
621.25031	6.6
639.26776	7.4
653.28436	11.7
670.44440	1.2
671.26904	100.0
671.41223	47.6
672.27197	15.3
672.41101	2.8
688.99475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76760	1.2
62.22896	1.5
67.05491	1.5
67.08026	1.2
69.07073	1.6
69.08588	3.1
69.09013	6.7
71.08671	1.4
81.07067	1.9
83.04961	1.5
87.50445	1.3
91.57986	1.2
95.08599	1.8
107.08636	1.5
119.08578	1.5
121.10112	1.7
130.08778	1.3
165.09129	3.2
224.09235	5.7
224.12962	1.4
237.13829	2.4
365.17807	1.5
379.19400	2.7
391.19247	2.0
392.20023	1.5
394.21588	1.6
403.18567	1.5
407.18512	2.0
419.18317	1.9
422.20865	2.0
423.21844	2.1
435.18118	2.9
437.23608	2.8
445.20511	1.9
450.20474	4.0
451.21463	2.3
459.21695	1.9
461.23447	1.5
465.22916	1.8
474.24115	1.6
476.22101	2.0
477.18350	7.7
478.19666	2.6
487.21198	1.6
493.22189	1.8
496.25134	2.0
498.26614	2.3
501.22266	1.9
505.22473	1.8
509.25131	2.5
529.22229	1.8
534.26025	1.6
536.23962	3.7
537.25146	1.8
538.25476	4.6
540.27313	1.8
545.24908	1.9
551.26440	4.7
561.24390	2.0
563.26349	8.6
564.23480	18.1
565.24237	6.4
569.27301	2.1
589.23871	9.4
593.27478	1.8
599.28882	1.7
607.25464	31.3
608.25885	5.3
611.28430	20.1
612.28949	1.9
621.25903	4.9
627.27893	3.3
639.28125	65.9
640.28571	9.7
670.47076	2.1
671.41211	100.0
672.41821	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	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43350	1.0
58.46830	0.9
60.99797	1.0
67.05528	1.3
69.25275	7.6
72.89655	1.0
73.92834	1.1
79.05495	1.1
81.07058	1.9
87.03797	1.1
93.07038	1.1
95.08630	1.0
196.62779	1.1
249.13959	1.2
270.25986	1.2
353.17953	1.1
367.19580	2.0
373.53012	1.2
380.20590	1.6
395.19046	1.7
407.18710	1.7
409.20288	1.1
410.21072	1.3
423.22064	1.3
425.23407	1.6
436.22290	1.3
437.23422	1.7
438.20529	5.3
445.20599	1.4
446.21533	1.7
447.22314	1.7
449.23932	1.7
451.21405	2.0
453.23010	9.3
454.23303	2.6
459.22180	1.2
461.23495	1.5
463.21225	1.5
465.22971	1.7
469.26172	2.9
476.22333	1.8
477.22934	1.9
483.23792	1.3
495.23804	1.2
497.25732	4.8
498.26221	1.8
501.23019	1.3
503.20560	1.7
507.24289	2.4
508.75842	1.3
509.25684	1.5
510.26489	1.5
512.28162	1.9
525.25165	2.9
529.22015	1.8
533.25696	1.9
537.24841	1.7
538.25830	3.5
540.27454	9.7
545.25208	1.5
551.26770	2.8
561.25189	1.8
563.26563	2.3
579.25952	2.1
589.24829	2.2
593.27179	1.9
607.25665	2.6
611.28601	2.4
614.86469	1.1
627.28070	1.7
639.27991	11.3
671.30817	100.0
671.41333	7.8
672.31213	16.4
672.41931	2.0
704.92041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70311	0.1
58.62175	0.2
62.08709	0.1
64.48243	0.1
67.05469	0.2
69.62238	0.4
69.62629	0.3
71.89085	0.1
73.62137	0.2
79.05494	0.2
82.32239	0.1
91.05488	0.2
93.07067	0.2
177.25005	0.2
185.04245	0.7
203.05292	2.1
245.06383	0.2
259.07928	1.1
275.07404	0.3
289.08963	0.2
305.08450	0.7
321.73401	0.1
337.92178	0.2
347.09430	1.7
347.57996	0.2
365.10544	4.8
366.10773	0.4
421.13181	1.9
509.27258	12.6
510.27512	1.5
671.32477	100.0
672.32819	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	671.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17796	2.2
103.75454	0.3
105.06998	0.4
185.04227	0.5
203.05330	0.6
214.27489	0.3
234.49034	0.3
259.07916	0.5
347.09549	2.5
348.10165	0.3
421.13126	0.6
509.27255	13.1
510.27567	1.5
671.32471	100.0
672.32806	14.5
699.25952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.79406	0.2
57.07067	0.2
66.98231	0.2
67.01862	0.5
67.05514	0.4
68.99806	0.2
71.32347	0.2
75.57191	0.2
81.07035	0.2
91.05489	0.5
92.44086	0.2
95.08609	0.3
109.10159	0.2
119.04905	1.3
121.02873	0.8
121.10207	0.2
145.02827	0.7
153.01836	4.3
163.03917	0.5
171.02901	0.6
189.74112	0.2
225.05344	0.3
229.05035	0.4
240.50722	0.2
243.06487	0.3
271.06000	100.0
272.06348	6.5
338.83533	0.2
360.31619	0.2
393.15247	0.2
403.25537	0.2
467.63315	0.2
514.00854	0.2
599.28723	0.3
639.24109	0.3
671.42664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40194	12.8
55.05517	17.6
55.68071	12.0
67.05497	35.2
69.07076	56.8
69.82122	41.1
81.07063	85.2
83.08611	33.5
85.02909	73.5
87.93230	11.5
93.07031	18.1
95.08615	100.0
97.02889	18.5
97.10162	14.2
98.78146	11.5
102.00399	12.9
107.08604	16.1
109.10163	64.3
111.11709	19.4
121.10126	18.5
123.11711	25.6
125.13240	23.0
127.03896	23.3
133.10088	11.4
137.13275	28.6
145.04967	17.4
163.06030	19.2
177.05042	11.9
226.31308	12.2
275.27585	14.4
287.05698	20.0
293.28366	38.5
297.33182	11.0
456.02014	11.5
632.51575	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31115	1.0
53.03949	2.8
55.01874	11.7
55.05513	4.6
57.03448	2.7
57.07081	1.3
61.02935	1.4
65.03938	2.6
67.05502	10.3
69.03432	9.9
69.07070	26.5
70.06589	2.2
71.01356	1.7
71.04996	11.4
71.31198	1.3
77.03967	1.4
79.05494	18.2
81.03434	2.5
81.07057	34.1
81.07517	2.2
83.01329	6.6
83.04984	12.0
83.08624	1.4
84.08128	1.1
85.02904	7.4
85.06537	7.9
86.09731	1.7
87.00832	2.7
87.04481	3.6
91.05469	13.8
93.07047	42.4
94.07401	1.9
95.04971	100.0
95.08610	11.2
96.05290	2.1
97.02882	2.4
97.06535	16.8
99.04440	8.3
101.02368	2.6
103.05476	1.4
105.07034	35.6
107.04951	7.9
107.08600	19.5
107.09283	1.8
109.02886	2.4
109.06524	21.7
109.10160	4.6
111.00806	9.7
111.04427	2.7
111.08085	3.5
111.11723	4.7
113.06028	4.2
115.03945	4.3
117.06978	6.0
118.32111	1.1
119.04948	2.1
119.08578	11.2
121.06535	14.2
121.10144	33.6
123.04427	2.5
123.08083	4.7
125.05986	12.6
127.03905	2.9
127.07578	6.6
128.06267	1.5
129.01859	10.1
129.06979	2.1
130.07823	2.0
131.04996	1.7
131.08554	14.7
133.06516	4.9
133.10132	6.6
135.04427	2.1
135.08092	3.5
135.11685	13.5
137.05989	11.3
137.09605	2.5
139.07564	5.2
139.11176	11.9
141.05498	2.4
143.03419	5.7
143.07045	6.1
143.08601	5.1
144.09448	1.5
145.06516	2.8
145.10123	44.2
145.11264	2.3
146.10455	2.9
147.08070	2.5
147.11674	5.5
149.05914	2.5
149.09624	10.0
151.07541	21.8
152.07918	1.2
153.05458	3.7
153.12701	1.1
155.07037	20.9
155.08324	2.0
157.01329	2.6
157.10129	1.6
158.07285	1.6
159.08099	3.1
159.11679	14.6
160.12053	1.3
161.04509	3.7
161.09665	5.8
161.13339	1.7
163.07535	1.4
163.11182	37.6
164.11534	1.6
165.09134	4.7
165.12787	2.3
167.06960	1.5
167.10699	2.0
169.08711	1.7
169.10114	3.6
169.12212	1.4
171.02885	13.6
171.06586	1.4
173.09619	17.9
174.10007	1.6
175.11183	2.7
177.12790	2.1
181.12247	16.3
187.11185	26.7
189.03955	8.9
189.09055	3.8
189.12744	3.7
191.06969	1.2
191.10664	37.5
192.11095	1.3
193.12250	3.0
197.09691	1.3
199.13353	3.7
205.12231	21.4
206.12640	1.4
207.10278	3.1
207.13777	1.3
209.08162	3.2
209.11717	29.3
211.13286	2.2
215.10672	18.3
217.03539	1.4
217.12263	2.6
219.10402	1.1
223.13246	1.7
227.12755	3.4
231.04990	31.5
232.05434	1.4
233.11722	31.7
234.11954	2.3
235.13327	3.8
251.12799	31.0
252.13257	2.4
253.14439	3.5
259.04630	2.2
269.13837	30.6
270.14270	2.1
287.14990	2.6
303.10834	1.4
311.14804	1.7
313.09134	1.5
331.10193	3.8
354.50696	1.1
369.15439	17.8
370.15701	1.3
379.13913	2.1
387.16644	3.5
393.15372	1.4
395.13306	2.1
397.14954	4.2
403.13889	1.1
409.14917	1.6
411.16373	1.1
421.14862	11.0
439.15958	77.3
440.16397	7.6
457.17032	84.5
458.17249	8.4
475.18146	13.6
476.18317	1.6
489.71155	1.1
517.07336	1.2
632.75183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.0
55.01877	2.5
55.05511	5.4
57.03440	1.8
67.05504	6.6
69.03429	11.7
69.07063	4.6
71.05032	1.6
71.08632	10.7
71.30196	1.9
72.08163	3.6
73.02931	3.5
79.05499	4.6
81.03420	8.0
81.07063	21.0
85.02912	8.3
86.06073	39.6
86.31881	1.5
87.00819	4.0
91.05482	7.8
93.07038	2.7
94.42432	1.5
95.04947	1.6
95.08631	5.3
96.08140	5.0
97.02921	4.0
97.06535	3.4
98.09684	12.2
99.04488	2.3
99.08100	10.0
105.07024	10.6
107.08603	5.1
108.08118	4.1
109.02894	7.2
109.06557	2.3
109.10130	2.2
116.10732	71.5
119.08607	7.5
121.10138	6.4
122.09702	3.7
123.11719	8.4
124.07624	2.9
126.09163	2.9
127.03912	15.6
129.01823	1.7
129.06999	1.9
131.08511	2.0
133.10197	3.6
140.10707	1.9
142.12221	2.1
143.10678	5.4
147.11665	23.0
154.15910	3.9
157.10097	4.5
165.12775	6.5
166.15955	2.1
175.11226	5.8
193.12221	3.2
193.44742	1.8
196.16974	9.1
214.18021	97.8
215.18394	3.1
229.14372	14.2
231.05075	1.8
255.15881	2.9
274.61743	1.6
308.22183	10.2
326.23257	100.0
327.23630	6.0
406.29434	7.6
418.24146	2.6
424.30597	26.2
425.30963	4.7
462.23331	32.2
463.23209	3.0
488.28540	2.6
530.29749	5.2
567.32428	1.8
574.28613	47.2
575.28448	4.7
581.47290	2.0
628.36676	3.8
672.35577	13.9
673.36890	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	672.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
54.04288	1.3
55.05514	2.9
57.03441	1.7
64.70210	1.4
67.05505	7.1
69.03423	10.4
69.07076	4.6
70.06599	2.9
70.99902	3.2
71.04994	1.8
71.08646	9.1
72.08158	4.6
77.23567	1.3
79.05481	7.0
81.03429	9.3
81.07063	12.8
85.02898	9.7
86.06068	56.0
87.00861	2.3
91.05486	12.3
93.07052	3.1
95.04971	3.9
95.08601	3.6
96.08148	4.1
96.41827	1.6
97.02888	5.0
97.06551	4.7
98.09696	10.2
99.04482	3.0
99.08086	11.3
100.07594	1.6
105.07030	8.2
107.08609	3.1
109.02875	12.3
109.06544	3.8
109.10188	1.4
113.06064	2.6
116.10734	78.7
117.07004	1.3
117.11092	1.6
119.08569	11.4
121.10178	2.6
122.68894	1.4
123.11725	2.6
124.07607	1.7
127.03928	17.1
129.01799	1.9
129.07024	5.1
131.08611	2.9
133.10156	6.2
142.07695	1.9
142.08688	3.0
143.10710	3.7
145.04974	2.6
146.15640	1.4
147.11682	26.0
149.09633	4.0
157.10127	12.6
162.78577	1.3
165.12805	5.4
165.68558	1.5
172.93063	1.4
175.11174	16.7
193.12267	12.3
196.16962	2.4
211.13455	1.6
213.03947	3.4
214.18027	25.9
229.14452	4.7
231.05124	1.9
300.96585	1.7
308.22238	8.5
326.23242	100.0
327.23581	7.0
341.13824	1.7
347.13333	1.8
406.29605	4.2
424.30609	22.2
425.30820	2.3
462.23129	9.8
530.29907	7.2
556.27698	3.8
574.28564	61.1
575.29071	6.9
586.35883	2.4
628.36444	3.5
672.36017	20.0
673.36993	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.8
57.03444	4.1
57.07081	38.3
61.02931	14.0
62.60597	0.9
65.17705	0.8
67.05508	10.9
69.03428	1.4
69.07072	7.4
69.30302	1.9
69.30717	3.5
71.08636	26.9
73.02917	5.2
75.04488	1.8
75.37608	0.7
76.90497	0.7
79.05508	1.0
80.52024	0.8
81.07066	14.5
83.08628	9.7
85.02914	14.7
85.10188	17.6
85.10662	1.5
88.11047	0.8
89.06044	1.4
91.03955	13.3
95.08609	20.7
96.08978	0.9
96.92221	4.6
97.02902	6.8
97.10167	4.8
109.10165	11.6
110.58872	0.7
111.11731	1.4
113.63750	0.9
115.03918	0.9
118.04005	0.9
123.11714	3.8
127.03931	2.7
137.13274	1.6
140.04893	1.0
145.04994	5.5
163.06029	7.9
173.28517	1.0
221.22546	1.4
239.23726	23.8
240.24156	2.1
250.33008	1.0
257.24841	3.0
313.27368	100.0
314.27740	8.6
331.28436	25.2
332.28748	2.8
475.32047	1.3
498.23410	0.9
673.35492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95602	1.0
55.05503	2.0
57.07080	32.4
57.27850	0.9
58.70520	1.1
69.07059	4.1
69.12782	8.3
71.08638	28.5
73.06558	8.7
77.15656	1.0
83.08617	4.6
85.10184	16.2
87.04472	8.9
89.06036	100.0
90.06387	1.6
91.07619	2.0
97.10191	5.2
99.11729	2.7
107.07069	2.0
111.11700	2.2
113.13293	2.1
117.09149	10.0
125.13290	2.3
127.14828	1.7
130.08685	1.5
131.07021	2.1
133.08609	59.6
134.08939	1.2
135.10153	1.5
141.16394	2.4
175.09662	1.0
177.11238	23.1
197.22618	3.9
221.13815	3.5
241.25357	1.4
265.16663	1.5
269.11026	1.4
283.17398	1.4
285.27911	7.2
329.30573	3.2
459.27573	2.4
655.49396	3.1
672.52533	1.7
673.26569	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10967	7.8
81.07088	1.1
84.80092	0.9
89.93036	0.9
93.07056	1.3
104.10120	1.0
116.48421	0.9
195.09186	1.5
199.08693	1.3
209.10768	1.3
210.11504	2.5
211.08693	2.0
211.12315	1.6
212.09404	1.3
213.10361	1.6
223.08678	2.0
224.09435	3.1
225.10229	6.6
225.13826	7.0
225.18457	1.0
226.10989	1.1
227.08218	3.5
227.11781	1.9
237.10301	3.5
238.07449	1.1
238.11014	3.9
239.08189	2.6
239.11794	9.4
240.12544	3.0
241.09680	2.6
241.13396	3.2
251.11876	2.0
253.09694	2.7
253.13371	29.5
254.13779	2.0
265.09827	1.1
265.13266	1.8
281.09283	3.2
283.10739	1.0
288.11478	1.0
299.10251	1.3
300.11365	1.3
309.08612	2.4
313.12000	3.9
314.12796	2.4
315.13693	1.2
327.09949	1.7
330.12494	1.4
338.59280	1.0
341.11594	1.6
342.12296	1.7
344.10245	1.2
346.15549	1.4
355.14035	1.0
356.10028	1.0
356.14136	1.6
358.11615	1.0
359.12625	1.3
372.13046	1.6
372.17081	4.0
374.15024	7.3
388.16483	5.1
389.17526	4.9
395.15021	1.2
400.16605	5.3
401.13113	1.3
404.19858	18.6
409.16217	1.7
416.16171	1.8
419.15253	2.0
421.12613	2.4
422.13754	2.2
431.18350	3.1
432.19324	9.6
433.16623	1.5
435.14368	2.9
436.15366	2.3
437.15936	3.5
445.16763	1.5
446.17081	1.5
448.16479	1.1
449.15985	3.2
450.16995	1.5
451.17838	7.4
460.18848	4.4
463.13257	1.7
466.20065	1.4
467.21201	4.8
473.16464	1.6
475.21451	1.6
477.15393	2.0
478.16098	1.6
481.22113	2.8
489.19421	1.5
491.20081	2.1
492.21457	34.5
493.21457	5.1
495.19998	1.5
503.20432	5.5
506.19720	1.4
507.20206	7.0
509.17987	1.3
511.19577	4.1
519.16486	1.2
521.21759	4.9
522.22430	2.3
523.20331	1.5
525.21179	3.7
531.20245	2.2
539.23230	6.6
549.21283	8.8
550.21698	1.6
553.24207	4.6
554.25006	1.7
555.22302	1.6
563.22699	3.2
581.24042	16.6
582.23993	2.1
591.22034	3.6
595.25824	2.1
609.23456	2.7
613.26550	44.5
614.26691	6.1
623.24750	6.0
624.25006	1.5
641.26099	100.0
642.26416	15.4
655.26947	3.3
672.42773	1.4
673.28400	13.8
673.40417	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.05508	5.5
67.05501	12.4
69.03430	5.1
69.07253	17.1
71.04991	3.1
79.05501	10.4
79.19450	1.9
81.03428	7.7
81.07075	11.7
83.08639	2.3
85.02946	2.2
85.06580	2.0
89.06061	2.8
91.05494	8.5
93.07066	10.3
95.04989	4.4
95.08607	10.7
97.02901	3.1
103.05470	2.2
104.67647	2.0
105.07040	9.2
107.08592	6.2
109.10168	3.7
110.61199	2.8
113.19682	2.4
115.05478	6.4
117.07050	4.7
117.75159	2.0
119.08613	7.0
121.10165	4.5
127.88570	2.2
128.06242	14.6
129.07018	12.8
130.07855	2.2
130.49234	1.9
131.08568	4.4
133.07607	2.1
133.10150	5.7
135.11739	3.4
141.06992	3.2
142.07904	4.0
143.08571	6.9
145.06525	2.8
145.10181	4.2
147.11725	3.0
152.06181	2.9
153.07018	9.7
154.07835	3.9
155.08566	13.3
157.10135	5.1
159.09210	9.5
159.11662	4.1
160.09995	5.2
164.10655	2.5
165.07030	4.5
167.08664	2.3
171.08087	2.6
183.09166	2.8
199.11198	4.4
209.10701	3.8
210.11539	3.1
211.12344	3.7
222.11418	3.6
223.12379	6.8
224.13100	5.2
225.13907	9.3
235.12140	3.4
237.13892	11.4
238.14685	13.8
239.15453	4.5
247.12363	3.5
249.13905	3.6
251.15416	3.4
253.17068	6.3
261.13876	2.2
263.15469	3.7
304.14453	2.2
304.18427	2.2
314.16809	3.0
315.17303	4.0
316.18137	4.6
327.17111	2.3
328.18079	3.3
329.19052	2.8
341.18738	3.5
342.19742	2.5
350.15555	2.7
353.17993	4.0
356.17581	2.6
364.18265	2.8
365.17709	4.8
367.19376	5.9
370.18765	2.9
376.17401	2.6
378.18738	5.2
379.19528	2.9
381.16962	4.1
381.21234	3.0
382.18167	2.8
395.18674	2.7
396.19247	2.5
403.22836	3.4
405.17160	7.0
406.17938	8.3
407.18314	5.3
408.19418	3.4
409.20361	6.4
410.21136	2.6
411.21994	3.9
418.24631	3.1
420.19595	3.4
421.20023	7.0
422.21140	4.7
423.22382	10.3
433.20404	2.9
434.20819	4.2
435.22034	3.5
436.22614	3.4
437.23700	3.1
438.20428	6.8
439.21591	3.7
440.22430	3.9
443.21890	3.7
445.23807	2.6
447.21954	3.1
448.18417	10.8
449.19324	2.8
450.21381	2.5
455.24243	3.8
456.22168	2.6
461.23611	5.2
462.20740	6.9
465.18591	3.4
466.20267	7.2
468.25372	6.0
477.22726	4.7
480.21439	13.4
481.22226	5.2
483.23871	3.3
497.25821	2.9
498.26758	4.2
509.25143	7.0
517.25653	3.4
518.22858	3.3
523.27167	4.2
525.27734	4.6
527.26929	5.5
541.28058	4.5
543.25739	3.0
551.26532	8.8
554.25079	6.2
555.24554	3.2
567.26495	3.0
569.27295	15.4
570.28101	2.6
577.24524	4.5
579.25769	4.7
583.29034	4.2
586.27533	3.7
587.28241	9.0
594.24750	24.3
595.25519	100.0
596.25421	13.1
597.26776	3.9
601.29919	5.9
605.23907	7.2
609.27094	59.5
610.27655	6.0
611.28473	22.8
612.26685	16.8
613.26245	9.1
614.27338	8.8
623.24835	8.7
629.29700	87.8
630.30042	15.8
631.27930	10.5
637.26318	13.6
655.27747	21.6
656.26837	3.1
673.28796	57.1
673.41510	10.1
674.28406	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	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49436	1.3
58.15004	1.3
67.05505	1.9
91.05480	2.0
93.07060	1.5
94.06580	2.9
95.04984	1.4
96.08150	5.2
98.22456	2.9
103.05509	1.6
103.31599	1.2
108.08125	5.2
110.09683	8.4
120.08135	5.2
122.06062	2.8
122.14841	1.4
134.06041	2.4
136.07628	4.8
138.09137	11.1
148.07591	1.9
166.08644	14.1
166.24733	1.2
167.07179	1.8
209.10748	1.8
216.22000	1.2
225.10294	2.0
226.76669	1.3
235.08640	1.9
236.09485	3.7
237.10217	14.7
239.11807	1.6
243.11394	1.7
249.10239	12.7
250.10928	3.2
251.11801	5.4
253.09822	2.3
264.08890	10.9
265.09665	6.8
266.10541	2.2
267.11322	4.3
277.09647	11.1
278.10510	6.0
279.08621	1.5
279.11288	8.8
280.11993	1.5
289.09323	1.7
292.11902	1.7
293.09238	39.5
293.12595	3.1
294.09647	2.2
295.10715	2.3
305.09247	7.6
307.10788	10.5
309.08749	3.4
309.12448	3.0
313.11981	1.7
317.15189	1.5
323.10214	5.7
325.11880	3.4
333.08667	3.7
337.11835	2.7
339.13348	8.4
351.09756	17.6
352.10226	2.0
353.11392	2.9
353.15210	1.8
354.12509	1.9
365.11194	3.2
366.12183	1.8
368.13974	1.9
371.12482	3.5
383.12369	4.2
384.12900	1.9
385.14304	2.3
395.12747	1.4
397.13803	4.9
398.14630	3.7
418.17654	3.5
438.14249	2.1
446.17157	10.0
456.15643	5.4
476.18161	3.6
478.19720	9.7
488.18011	2.0
490.19824	2.2
519.19904	3.1
520.20813	1.9
536.20007	4.9
550.21930	48.0
551.22620	100.0
552.23047	9.4
601.00238	1.4
609.23212	2.9
623.24829	2.6
641.26202	9.6
673.37793	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	673.3406
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
50.03859	0.2
53.25880	0.2
53.92445	0.2
54.48372	0.2
57.74000	0.2
60.07789	0.2
63.15407	0.2
65.52100	0.2
76.96910	0.2
95.08578	0.4
98.22577	0.5
99.59930	0.2
101.12309	0.2
101.24448	0.3
139.84506	0.2
157.03587	0.3
158.16386	0.2
177.08792	0.3
185.04245	0.9
203.05278	1.7
259.07877	1.3
289.09131	0.3
305.08496	0.3
347.09576	1.5
365.10535	3.2
421.13208	1.0
425.84561	0.3
511.28784	17.7
512.29315	2.0
513.30414	0.3
673.33917	100.0
674.34229	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.1
52.65430	1.2
53.03945	4.9
55.01872	6.2
55.05519	4.0
57.03448	7.1
59.83449	1.2
61.02921	9.1
65.03933	3.4
67.05507	22.0
69.03432	25.0
69.07070	2.3
70.06580	3.5
70.20770	2.6
70.21095	1.3
71.04993	37.8
72.08145	2.1
73.02908	3.1
77.03949	1.3
79.05492	12.0
81.03421	15.1
81.07053	12.1
83.01344	1.3
83.04977	3.9
84.08169	2.0
85.02905	65.6
85.06553	4.3
86.09705	3.5
87.04481	3.3
91.03975	3.3
91.05480	20.9
93.07057	12.3
94.07382	1.3
95.03028	1.1
95.04967	27.0
95.08605	10.8
97.02895	22.9
97.06506	2.4
99.04456	5.3
103.05481	2.4
103.92870	1.2
105.07027	27.6
106.01876	1.2
107.04974	7.0
107.08601	8.0
109.02874	8.0
109.06528	5.5
109.10176	3.8
111.04449	4.9
111.08102	2.3
113.06012	30.9
115.05492	2.7
117.07027	9.3
119.04965	2.5
119.08583	18.2
121.06522	11.1
121.10165	5.2
123.04425	7.3
123.08071	11.7
125.05984	9.0
125.09630	1.6
127.03902	13.1
128.06244	7.9
129.07033	8.4
129.10234	1.3
130.07817	2.8
131.04912	1.7
131.08568	28.9
133.06511	6.1
133.10132	18.0
135.04408	4.1
135.08063	3.9
135.11700	2.4
137.05963	8.3
141.05467	8.8
141.06972	3.2
142.07776	2.7
143.08565	25.2
145.04974	9.0
145.06499	4.1
145.10118	38.5
146.10548	1.5
147.04332	1.6
147.08043	11.9
147.11685	24.4
148.12086	1.2
149.06004	3.1
149.09630	2.0
151.03897	7.2
153.05347	1.3
153.07065	1.3
155.08578	8.5
157.06490	3.5
157.10118	9.0
158.10909	1.5
159.08080	8.2
159.11652	5.6
161.06004	5.3
161.09621	69.8
161.13255	1.8
162.10023	3.8
163.07458	1.6
163.11194	2.1
165.05504	1.9
165.06985	3.3
165.09126	13.1
166.07811	2.8
167.07220	1.6
167.08600	4.2
168.09297	2.2
169.04945	3.7
169.10118	8.0
171.08049	3.7
171.11737	9.0
173.06007	1.8
173.09622	59.8
173.13092	2.4
174.10410	37.3
175.07576	4.2
175.11176	23.2
175.14748	1.2
176.11525	1.4
177.05428	1.6
178.07747	1.4
179.08589	2.8
180.09335	2.9
181.05011	1.7
181.10110	7.9
182.10881	3.7
183.11685	9.1
184.12320	2.7
185.09656	5.1
185.13255	70.6
186.13647	4.8
187.07620	2.8
187.11211	2.9
188.03616	1.4
189.09227	1.2
189.12741	1.8
191.10622	2.5
193.08560	2.1
193.10173	3.7
194.10927	3.6
195.08090	2.7
195.11644	9.7
196.12453	2.1
197.09550	3.4
197.13290	9.6
198.14009	2.5
199.11192	7.0
199.14799	7.0
201.08997	1.4
201.12788	2.9
203.06985	2.0
203.08730	1.6
205.10184	2.9
207.08206	1.6
207.11754	3.8
209.09645	4.6
209.13286	9.3
210.10464	1.8
211.11224	3.7
211.14818	1.8
212.11972	1.8
213.12737	39.4
213.16338	1.8
214.13353	3.3
215.14345	3.5
217.10086	1.6
218.10901	5.4
219.11647	2.6
221.09654	2.4
221.13272	3.1
222.10327	2.5
223.11142	4.6
223.14810	10.7
225.12746	11.8
226.13429	3.3
227.14282	16.4
229.12183	2.2
233.13252	7.7
235.11232	2.9
235.14838	1.9
236.11850	3.2
237.12711	10.2
238.13396	2.6
239.14252	8.3
239.17941	1.3
241.12196	3.3
241.15874	7.0
243.17477	2.4
246.10397	1.6
251.14316	23.3
253.12326	2.0
253.15787	3.3
255.13812	61.0
256.14307	5.0
261.12823	2.3
264.11642	1.6
269.15381	20.1
269.18430	1.8
271.17026	1.6
279.13818	15.3
280.14120	2.1
281.15222	1.8
281.18942	2.2
287.05573	3.7
287.16531	5.8
297.14856	54.0
298.15231	4.6
299.16473	4.8
299.19925	1.9
309.18652	3.0
313.14380	2.2
315.15891	100.0
316.16296	6.7
317.17490	8.8
327.19522	4.8
333.16965	89.9
334.17291	6.1
335.18604	3.4
337.21616	3.5
345.20667	2.9
351.18005	45.8
351.22391	2.8
352.18362	2.2
355.22733	4.5
361.21295	1.3
363.22870	1.7
369.19070	16.7
379.22659	3.0
381.24277	4.8
403.22745	3.6
411.25455	1.5
421.23639	8.0
439.24905	17.7
440.24979	2.4
453.24811	2.3
454.24521	1.3
457.25870	21.1
458.26248	2.0
475.26947	16.2
476.27350	2.3
493.27808	6.5
511.29025	62.9
512.29156	7.1
673.22797	1.8
673.34210	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	674.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01876	26.6
55.05501	14.0
57.03447	4.0
65.03952	2.7
65.41721	2.2
67.05504	22.2
69.03422	11.1
69.07099	38.4
69.70616	2.1
71.04997	14.0
71.05308	2.2
79.05496	32.2
81.03397	2.8
81.07058	58.2
83.01347	10.5
83.04977	24.7
83.08627	6.0
85.02886	4.7
85.06558	6.6
87.00855	3.3
87.04476	3.8
91.05476	25.0
93.07046	86.9
93.30647	2.3
95.04973	24.2
95.08614	26.8
97.06534	37.9
98.22681	4.3
99.04453	20.4
101.02373	5.1
101.06000	2.6
101.33752	2.2
103.05481	2.4
105.07034	62.3
106.01168	2.5
107.04973	6.3
107.08601	54.2
109.06522	35.4
109.10166	8.3
111.00797	17.9
111.08083	39.4
113.06002	6.5
115.03923	6.0
117.07025	7.4
119.04893	3.7
119.08588	29.0
121.06512	44.6
121.10147	33.5
123.04398	3.4
123.08083	12.0
123.11694	12.5
125.05989	24.1
127.07563	9.2
129.01846	15.2
129.07040	3.6
131.08565	8.4
133.04990	2.3
133.06470	4.1
133.10138	24.0
135.04456	2.8
135.08066	25.2
135.11670	12.7
137.05956	6.8
139.07552	21.0
142.07788	3.7
143.03394	12.7
143.07021	4.7
143.08594	6.5
145.10120	26.8
147.08093	5.9
147.11690	57.9
149.09642	23.5
149.13281	6.1
150.09938	2.9
151.07562	9.3
151.11180	9.8
156.09334	2.9
157.01363	4.2
157.08771	4.3
157.10135	15.6
159.06523	2.5
161.09573	4.2
161.13246	7.2
163.11197	46.9
165.12753	26.4
167.10690	28.5
169.08624	10.9
169.12241	32.7
171.02893	21.2
171.11673	9.2
173.09636	6.2
175.11192	37.4
181.12238	9.3
184.08850	2.9
185.11757	2.8
189.03926	17.6
189.12733	20.7
191.10664	36.7
193.12245	38.5
194.12640	4.9
199.11169	12.8
207.13820	6.2
209.11703	11.9
211.13347	28.7
217.12244	42.8
218.12688	3.1
227.12772	36.7
228.13274	2.3
229.14349	32.1
229.69586	2.3
231.04988	47.8
235.13295	38.1
236.13640	3.5
249.06059	3.8
253.14349	67.6
254.14703	4.6
269.06592	8.7
271.15372	15.0
283.08060	4.1
285.06027	5.7
287.07721	8.0
295.08298	2.3
301.09189	6.4
303.07013	3.1
333.13269	3.2
337.12808	13.6
351.14441	8.6
355.13861	37.1
357.11841	6.5
361.13016	2.6
373.14996	25.7
374.15057	3.5
379.13934	45.8
380.14337	4.0
391.16443	2.5
397.14941	100.0
398.15192	8.3
415.15985	27.5
423.16364	7.8
437.55304	2.7
441.17337	16.1
446.21234	2.8
459.18350	3.5
567.17053	13.1
585.18353	29.0
586.17914	3.4
603.19287	31.7
604.18958	2.8
621.20367	5.5
693.81671	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	674.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99389	1.7
53.03951	2.6
55.01876	12.0
55.05515	7.2
57.03434	2.5
61.02927	2.8
65.03923	2.5
67.05508	16.2
69.03427	11.1
69.07072	13.5
69.51408	11.4
70.06594	3.0
71.04993	11.3
73.02926	2.1
79.05491	17.5
81.03407	11.2
81.07055	44.3
83.01347	5.3
83.04981	27.0
83.05458	2.6
83.08633	3.8
85.02915	11.9
85.06552	6.1
87.00829	2.4
87.04461	2.4
91.05476	11.6
93.07043	43.8
93.07619	2.9
95.01334	2.0
95.04970	20.4
95.08604	29.3
97.02899	10.8
97.06530	22.7
99.04454	11.8
101.02380	2.7
105.07027	34.2
107.08605	24.5
109.02874	17.6
109.06522	24.6
109.10189	5.7
111.00797	7.2
111.08083	35.3
113.06032	2.9
115.03930	2.4
117.07047	3.8
119.04967	2.2
119.08576	20.1
121.06509	48.0
121.10165	7.1
122.06852	2.8
123.04424	3.4
123.08068	7.6
123.11673	13.6
125.05997	17.4
126.38290	2.1
127.03928	15.6
127.07558	5.9
129.01849	6.8
129.07060	2.8
131.08594	5.0
133.04941	2.3
133.06477	5.0
133.10129	19.1
135.04407	2.6
135.08043	17.5
137.05983	6.1
139.07539	18.8
141.01840	4.1
142.07793	2.8
143.03409	5.4
143.07059	14.3
143.08603	2.5
145.04926	2.6
145.10153	7.5
147.08003	2.8
147.11687	48.1
149.09698	2.6
149.13263	4.1
151.11189	7.8
157.01370	2.2
157.08627	9.2
157.10158	12.0
159.06586	4.6
159.07954	2.1
161.04442	2.7
161.05954	2.5
161.13275	8.2
165.12746	24.7
169.12234	38.5
171.02879	10.1
171.11699	10.7
173.09697	2.7
175.11185	36.2
176.11513	3.5
181.10176	2.2
187.06018	10.2
189.03978	5.9
189.12723	24.6
191.14313	2.5
193.12260	45.2
194.12675	2.2
199.11180	17.2
205.07056	4.0
207.13847	7.9
211.13297	44.0
217.12244	63.4
218.12685	5.4
229.14331	19.4
231.05008	45.6
232.05417	2.7
235.13301	64.5
236.13672	4.8
253.14355	100.0
254.14737	5.4
271.15387	22.7
286.69116	2.1
288.05603	2.9
319.15671	2.4
337.16452	3.7
355.17468	9.1
361.16418	2.7
372.82001	2.0
373.18857	3.0
379.17493	7.1
381.15411	4.4
397.18625	14.3
399.16562	10.8
415.19391	2.7
423.16394	17.2
441.17581	44.2
442.18033	3.6
459.18649	18.6
477.19696	5.5
549.18860	2.3
567.20599	6.4
585.21808	14.3
586.21912	3.0
603.22412	7.7
604.23071	2.4
645.04364	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03940	2.9
55.01866	2.9
55.05512	5.1
56.94867	0.8
67.05501	10.1
69.03434	9.5
69.07064	9.1
70.06596	1.9
71.04994	6.0
71.31659	1.1
79.05498	14.9
81.03420	14.9
81.07059	28.2
83.04984	20.5
83.08623	4.1
85.02911	7.9
85.06543	5.5
86.08151	1.0
91.05481	12.3
93.06469	2.2
93.07050	34.7
95.04971	14.9
95.08608	26.0
97.02887	6.0
97.06537	21.0
99.04457	14.8
101.05993	1.4
103.05415	1.2
105.07030	26.5
107.04969	6.0
107.08599	17.0
109.02885	20.5
109.06520	17.1
109.10149	4.6
110.03259	1.1
111.04462	2.2
111.08078	16.8
113.06004	4.7
115.07606	1.2
117.06994	2.8
119.04945	4.0
119.08581	15.5
121.06512	42.9
121.10152	4.0
122.06855	1.5
123.04443	2.5
123.08057	3.6
123.11696	7.2
125.05982	20.2
127.03916	26.3
127.07535	7.5
129.06993	2.7
131.08589	5.7
133.06447	3.5
133.10129	13.8
135.04433	2.7
135.08054	9.6
135.11671	1.4
137.05983	4.4
137.09642	1.1
137.13293	1.1
139.07558	14.4
141.05472	2.3
142.07838	2.1
143.07037	17.2
143.08559	3.9
145.06517	1.3
145.10107	5.5
147.04428	2.5
147.08022	3.2
147.11682	32.7
148.12022	1.2
149.05969	1.9
149.09593	1.4
149.13274	3.1
151.07545	2.0
151.11201	5.2
153.09105	1.7
156.09389	1.7
157.08597	5.7
157.10124	11.0
159.06520	6.1
159.07974	2.1
159.11720	1.4
161.06015	3.9
161.09622	2.8
161.13266	7.9
163.14812	1.2
165.06726	1.1
165.12746	12.0
169.08627	1.7
169.12219	13.1
171.06476	1.6
171.07991	1.0
171.11685	10.7
173.09612	2.1
173.13292	1.8
175.03918	4.9
175.11192	22.8
181.10172	2.4
187.06053	5.5
189.07599	1.9
189.09186	1.7
189.12738	17.8
190.13191	1.4
191.14301	2.1
192.04169	1.5
193.12236	24.1
199.11203	16.6
205.07051	4.4
207.06549	10.4
207.13782	12.0
208.14149	1.0
211.11571	0.8
211.13286	22.6
217.12242	50.1
218.12628	3.2
225.07471	1.1
225.14839	1.4
229.14351	10.8
235.13297	76.1
236.13596	5.3
237.11180	3.3
251.12762	1.2
253.14354	100.0
254.14792	5.3
271.15411	19.1
277.14258	1.1
287.05624	1.7
289.16443	5.7
295.15436	2.1
301.14478	1.4
305.58859	1.0
313.16470	3.8
319.15546	2.0
325.14304	1.1
337.16422	2.2
343.15451	2.9
361.16553	5.2
379.17413	11.0
380.17944	1.3
397.18610	17.6
398.18701	2.3
415.19595	4.9
422.89746	1.1
662.97150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.3
53.03950	9.4
55.01870	7.6
55.05513	22.3
57.03436	6.9
59.79662	1.4
61.02929	6.5
65.03948	7.3
67.05507	49.2
69.03429	28.5
69.07071	9.9
71.04993	18.1
71.60108	1.5
72.21274	1.4
73.02924	3.6
77.05692	1.4
78.12959	1.4
79.05495	38.5
81.03410	11.8
81.07059	45.8
83.04980	20.6
85.02907	74.4
85.06542	9.2
86.03220	2.3
87.00826	7.0
91.05484	100.0
92.05795	3.5
93.03409	4.7
93.07034	20.5
95.04970	47.7
95.08598	10.5
96.66934	1.7
97.02886	15.9
97.06554	4.7
99.04449	7.3
99.08088	23.3
103.03966	2.9
103.05469	8.2
105.01869	12.6
105.04549	3.7
105.07035	48.6
106.07341	2.9
107.04974	5.6
107.08592	8.9
108.04530	1.8
109.02885	9.8
109.06532	1.8
109.10138	2.9
111.04421	10.0
112.04800	2.6
115.05464	35.2
116.06284	4.3
117.07026	45.9
118.07360	3.3
119.08588	19.9
121.06512	11.8
121.10130	4.1
123.08102	2.4
127.03918	18.3
127.05433	2.8
128.06224	74.3
129.05534	3.7
129.07007	62.3
130.07811	3.6
131.04935	19.2
131.08569	35.4
132.08907	2.0
133.06496	5.8
133.10139	17.5
135.08061	3.5
141.06993	70.3
142.07823	15.3
143.08571	44.1
144.05676	2.7
144.08885	2.5
145.05032	9.3
145.06474	18.7
145.10129	26.6
146.10519	3.4
147.08011	8.7
147.11679	2.6
149.09708	3.8
152.06224	8.9
153.06998	37.9
154.07784	35.0
155.06044	9.1
155.08557	74.4
156.09048	5.7
157.06506	4.4
157.10115	14.8
159.02882	2.2
159.08063	8.8
159.11710	7.0
161.05937	2.5
161.09622	6.7
161.13255	1.9
163.06169	1.7
163.07680	2.1
163.11205	2.1
165.07030	5.7
166.07800	4.5
167.08565	14.9
168.05807	1.8
168.09341	7.3
169.06480	3.9
169.10143	34.0
170.10556	1.7
171.06548	19.6
171.08061	10.8
171.11731	4.7
172.06898	5.3
173.09662	10.4
173.13228	2.2
175.07556	2.2
175.11153	3.0
178.07890	2.5
179.08548	5.4
180.09425	2.4
181.06465	4.2
181.10155	10.1
182.07265	2.2
182.10954	3.2
183.08058	10.3
183.11650	10.9
185.09676	7.0
185.13274	3.7
187.07573	2.5
187.11226	4.7
187.14865	4.7
188.55623	1.9
189.07588	3.2
190.07809	2.2
193.10187	1.8
194.07315	1.7
195.08081	3.9
195.11623	3.5
196.12514	2.2
196.68849	1.9
197.09645	6.0
199.07495	2.0
199.11153	3.3
201.12732	2.7
203.14305	3.1
209.09596	3.2
210.10352	2.0
211.11334	2.6
211.14955	4.0
213.03882	2.6
213.09090	2.7
215.82674	2.0
229.15842	10.4
231.05037	7.0
247.16930	6.7
248.17386	1.8
249.06006	5.1
271.17023	3.7
287.05548	4.8
288.84833	1.6
313.18109	2.2
391.20996	2.8
503.91458	2.0
518.19403	2.1
674.40576	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	674.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	19.7
55.01875	11.3
55.05509	17.1
57.03447	7.1
57.07064	5.0
62.26331	4.0
65.03947	9.3
67.05511	45.2
69.03426	22.1
69.07064	18.6
71.04997	12.9
71.32440	3.7
78.97002	4.2
79.05495	68.8
81.03422	39.0
81.07060	54.8
83.04983	12.9
83.08598	9.1
85.02909	18.7
91.05489	55.1
93.03410	9.6
93.07050	47.6
95.04976	20.4
95.08609	41.3
97.02892	15.2
99.04453	4.5
103.05487	13.6
105.04484	6.1
105.07047	34.9
105.11942	4.8
107.04990	6.5
107.08606	29.0
108.49685	5.1
109.02910	14.6
109.06541	5.8
109.10158	12.0
111.70225	5.3
115.05445	49.9
117.07001	25.4
119.08572	18.8
121.06505	11.0
121.10141	15.5
127.03903	5.3
127.05501	5.9
127.07484	4.9
128.06235	99.5
129.07016	100.0
131.08588	17.9
133.06456	8.7
133.10135	13.5
135.08055	4.9
135.11684	15.1
136.57491	4.3
141.06996	28.1
142.07774	26.4
143.08577	27.8
145.06506	15.0
145.10121	17.6
147.07991	5.0
147.11703	12.6
149.13231	6.6
151.36790	5.2
152.06207	13.3
153.06982	55.1
154.06149	5.0
154.07726	27.9
155.06073	17.9
155.08553	92.6
156.09248	6.0
157.06525	14.8
157.10120	21.6
159.08015	5.8
159.11674	16.6
161.13258	7.4
165.07013	19.2
166.07803	14.2
169.06502	8.8
171.08070	13.7
171.11694	13.3
173.13297	11.9
175.14824	5.7
181.10104	10.1
184.07388	6.4
184.08897	4.9
185.13333	5.6
197.13222	5.2
199.11171	69.5
200.11612	6.5
261.22092	9.7
279.76242	4.9
303.23117	6.5
351.23071	5.7
369.24307	12.5
383.78156	4.8
387.25430	4.7
405.26413	15.2
699.04968	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	674.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	3.2
53.03948	18.5
55.01872	13.6
55.05512	20.5
57.03448	4.5
65.03945	7.8
67.05505	63.7
68.33172	1.5
69.03432	44.7
69.07070	17.1
71.04996	13.1
73.02924	3.1
75.09328	1.9
77.03928	4.2
79.05496	60.9
80.05851	1.8
81.03424	38.6
81.07060	62.2
81.07522	3.6
83.04981	7.9
83.08618	8.7
85.02903	20.6
85.06540	4.4
91.05486	67.4
92.22831	1.8
93.03409	13.4
93.07050	48.4
95.04968	18.7
95.08611	41.1
97.02891	14.4
97.06544	5.1
97.10203	3.2
99.04452	5.0
99.08135	3.1
103.03925	2.8
103.05473	13.3
105.04520	5.3
105.07034	48.3
107.04974	8.4
107.08599	31.3
108.04427	3.4
109.02882	10.0
109.06503	4.3
109.10165	15.5
111.04472	5.2
111.08077	3.3
115.05456	51.7
116.06255	4.7
117.07039	27.0
119.08591	23.1
121.06496	8.1
121.10147	22.8
123.04420	2.1
123.08089	4.2
123.11722	5.3
127.03922	8.6
127.05457	5.1
127.07567	6.6
128.05244	3.7
128.06227	98.1
129.07018	100.0
130.07819	2.8
131.04941	1.8
131.08572	29.0
132.08853	2.1
133.06490	7.4
133.10136	17.4
135.08063	3.1
135.11697	16.5
137.09631	1.9
139.11241	1.7
140.06219	2.2
141.06998	30.8
142.07794	23.2
143.08563	35.1
145.06496	20.6
145.10132	18.5
147.04463	3.0
147.08081	5.9
147.11685	11.0
149.09648	3.2
149.13257	9.8
152.06223	12.8
153.06993	66.2
154.07767	32.3
155.06029	18.0
155.08553	96.1
156.09331	9.5
157.06519	16.2
157.10139	22.6
158.07251	2.8
159.08092	2.3
159.11705	14.8
161.09647	4.0
161.13254	10.0
163.07614	2.0
163.11130	4.3
163.14836	3.9
165.07011	23.9
166.07797	13.5
167.08560	4.2
169.06544	5.6
169.10176	6.8
170.07300	2.9
171.08047	10.7
171.11670	9.8
173.09666	2.4
173.13266	9.6
175.11145	3.1
175.14833	2.7
181.10156	7.0
183.08083	5.0
183.11768	2.8
184.08824	5.3
185.09651	3.8
185.13313	5.3
187.14865	4.0
189.12773	3.4
193.12241	2.5
195.11710	2.0
197.09706	2.0
197.13286	3.2
199.11189	60.8
199.13034	3.2
199.14850	3.1
200.11554	2.9
201.12839	2.2
209.13339	2.2
211.11212	2.3
211.14966	2.3
213.12735	2.1
215.18253	2.0
217.12279	4.1
241.19553	2.7
255.21152	2.2
259.13257	2.9
259.20712	2.8
261.19638	1.7
261.22064	10.4
277.21625	5.7
289.21555	3.5
291.23065	1.9
301.21646	3.8
303.23145	8.2
315.23218	4.5
319.22516	2.7
341.25082	3.5
341.62558	1.8
345.24420	2.8
351.23181	4.1
359.26260	1.9
369.24161	14.1
387.25299	12.1
405.26376	14.3
423.27237	2.3
596.02118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96759	1.2
56.00852	1.1
57.06794	1.7
57.07077	33.9
71.08633	23.6
71.41015	1.2
73.06557	8.3
75.80614	1.2
83.08587	2.4
85.10181	21.7
87.04467	9.4
89.06035	100.0
93.07028	1.4
97.10181	3.9
99.11721	3.9
107.07090	3.2
117.09155	8.8
130.08607	1.6
131.06998	2.0
133.07610	3.1
133.08604	49.2
152.04787	1.5
155.17941	4.1
161.11772	2.7
175.09782	1.6
177.11220	18.9
199.20598	2.8
221.13829	3.5
229.11427	1.8
232.12430	1.3
243.23256	6.6
283.17325	2.0
287.25842	2.7
339.00726	1.7
674.50897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84821	0.1
53.03952	0.2
55.01880	0.2
55.05503	0.3
55.76746	0.1
57.03418	0.2
59.01188	0.1
66.66946	0.1
67.01873	0.5
67.05499	0.3
68.99780	0.6
69.03429	0.5
69.07056	0.3
70.45351	0.3
71.04988	0.3
79.05490	0.4
81.03421	0.4
81.07082	0.5
83.04986	0.9
83.05464	0.1
85.02908	0.8
85.06539	0.1
89.03892	0.2
91.05497	0.5
93.07043	1.0
95.04960	0.2
95.08614	0.6
97.02909	0.2
97.06542	0.2
99.04521	0.1
105.01846	0.1
105.07037	0.8
107.07928	0.1
107.08591	1.0
109.02880	0.3
109.06516	0.3
109.10165	0.2
111.00759	0.1
111.04452	0.5
111.08124	0.1
117.03403	0.2
117.07030	0.2
119.08575	0.5
121.06502	0.3
121.10165	0.7
123.08087	0.2
125.09551	0.1
127.03915	0.7
129.01823	0.2
129.05499	0.4
129.07002	0.1
131.08586	0.4
133.10143	0.3
135.04424	1.5
135.05382	0.1
135.08035	0.2
135.11713	0.2
136.07550	0.2
136.50217	0.1
137.02345	0.7
145.10110	0.8
147.08083	0.1
147.11694	0.4
149.09653	0.3
151.07559	0.1
152.07179	0.1
153.01828	5.3
157.10173	0.1
159.11690	0.2
161.02321	0.9
161.09669	0.1
161.13261	0.1
163.11162	0.9
164.07050	0.2
165.09052	0.1
167.10696	0.4
169.08638	0.7
171.02855	0.7
171.06544	0.9
173.09521	0.1
173.13269	0.2
175.11223	0.1
175.14807	0.2
179.03313	0.2
181.12216	0.3
185.13301	0.1
187.14859	0.4
189.07614	0.5
191.10677	0.6
196.89261	0.1
199.14798	0.1
201.16402	0.4
203.14267	0.3
203.18141	0.1
205.15948	0.2
209.11743	0.4
213.05415	0.1
213.43719	0.1
219.06497	0.2
219.17499	0.1
219.75714	0.1
227.12845	0.9
241.04814	0.6
245.04465	0.2
259.05792	0.1
263.05603	0.1
269.04440	0.4
287.05493	100.0
288.05844	6.5
316.16357	0.1
353.15857	0.2
371.16864	0.1
395.07523	0.1
423.32397	0.1
449.10873	0.1
469.33337	0.1
675.21277	0.5
676.22217	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	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03883	0.3
71.31454	0.4
71.83394	0.4
83.10788	0.3
85.98373	0.3
114.37312	0.3
132.74573	0.3
148.31126	0.3
206.37321	0.3
425.16388	0.4
427.17944	0.6
439.14404	0.5
440.14722	0.4
443.17343	0.6
444.18018	0.7
445.18802	1.1
453.16064	0.6
454.17239	0.5
455.13068	0.5
457.14438	0.7
467.13297	1.3
467.18576	0.7
468.13690	2.4
469.14716	7.5
470.15430	3.2
471.16251	1.7
472.17749	1.3
480.14468	0.9
481.14719	2.9
482.15906	10.5
483.16626	10.6
484.17352	2.9
485.18887	1.9
487.15915	0.6
495.16891	4.4
496.17484	6.2
497.18237	37.9
498.18726	8.3
499.19763	1.2
500.17169	0.4
509.17465	0.5
510.18970	1.9
511.19852	5.3
512.20667	1.7
513.18518	1.0
515.19714	1.8
516.20044	0.5
523.16302	0.7
528.16443	2.1
528.78632	0.4
538.19556	0.6
539.20953	0.5
541.17236	1.0
542.17761	2.4
543.18158	0.5
555.18658	4.2
556.19397	3.4
557.20325	3.4
558.20502	0.5
569.20313	0.9
571.21790	0.5
573.22797	1.2
574.21515	0.4
583.21631	0.4
585.22913	0.4
587.21234	0.6
616.21564	0.9
617.23138	1.6
629.22180	0.7
643.24036	6.5
644.24634	7.7
645.24823	2.2
657.25366	4.7
658.25964	1.1
660.24524	1.4
675.26648	100.0
676.26910	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74350	0.3
69.07724	1.7
69.08137	0.4
124.33343	0.3
128.95111	0.2
276.76837	0.3
399.14502	0.4
400.15228	0.5
412.15558	0.3
413.16293	1.1
414.17493	0.4
416.14362	0.4
421.18970	0.3
426.17175	0.3
427.17856	0.7
428.14252	0.4
428.19089	0.6
429.15695	0.9
430.16531	0.8
439.14169	0.5
440.19345	0.4
441.20367	1.5
442.16110	0.7
443.17358	1.3
444.18054	1.5
445.18784	2.5
453.15723	1.0
454.16702	0.3
455.13345	0.8
455.18179	0.4
456.14230	1.0
456.19012	0.4
457.15042	1.7
457.19699	0.8
458.20029	0.5
466.12155	0.3
467.12619	0.5
467.17279	1.4
468.14017	0.9
468.18747	0.5
469.14154	2.5
470.15103	2.0
471.16098	3.2
472.17120	1.7
473.18161	0.6
475.19904	0.4
480.13907	1.7
481.14679	3.0
482.15549	3.5
483.16580	3.9
484.18005	1.4
485.18515	4.1
486.18787	0.8
494.16132	0.4
495.16714	10.5
496.17294	6.4
497.18207	9.9
498.18829	2.6
499.15668	0.6
499.20041	0.8
500.17126	0.9
502.18576	0.5
503.19220	0.3
508.16925	0.3
509.17633	0.3
510.18982	0.7
511.19766	1.3
513.17554	1.8
515.19025	0.8
523.16821	0.4
527.19006	0.6
528.16608	0.5
529.20966	0.9
530.21118	0.4
531.19012	0.8
541.17584	0.4
542.17944	0.6
555.18671	10.5
556.18933	2.2
557.20270	1.1
573.23883	2.8
574.23291	0.6
583.21948	0.9
584.22180	0.6
585.23041	0.8
599.24683	0.3
601.22961	0.7
616.21857	0.6
617.22552	3.3
618.22571	0.5
627.20789	0.5
643.23944	3.5
644.24738	1.5
645.22040	3.0
646.22876	0.5
657.25348	0.6
660.24280	5.0
661.24634	1.0
675.26636	100.0
676.26880	20.8
676.39063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73072	2.7
67.05524	2.4
71.31724	3.2
81.07038	3.7
83.04973	2.9
85.02930	4.7
91.05509	5.9
91.58746	2.6
93.07058	4.4
94.06586	3.1
96.08124	4.0
101.06965	2.8
105.01892	3.1
105.07050	4.9
108.08128	5.0
110.09655	3.3
111.11224	2.5
120.04584	2.3
120.08087	3.1
125.02337	2.4
127.03918	3.4
128.06294	3.1
136.07593	6.9
137.05986	8.7
138.09111	6.2
143.08510	2.8
151.03917	3.9
153.05493	2.6
153.06935	3.0
155.08389	2.6
164.07135	3.1
166.08644	14.2
167.07106	3.3
172.04010	4.7
204.06520	17.8
223.86810	3.3
225.10155	2.6
238.10826	3.4
239.11926	3.5
253.09750	3.1
265.09708	5.4
267.11288	3.2
277.06271	2.3
278.10361	3.0
279.10797	3.4
287.13815	4.7
295.10394	3.4
311.10126	5.1
323.10425	3.6
325.11475	4.0
326.12430	3.7
327.13416	5.9
335.10306	4.9
339.13376	25.7
355.12903	5.7
367.12943	13.8
398.14758	3.3
399.15396	6.1
458.16849	2.7
520.20728	10.3
521.91083	2.8
525.00177	3.0
552.23346	100.0
553.23535	15.5
611.25061	16.4
650.48816	2.5
675.21954	5.6
675.38257	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.01877	3.6
55.05512	4.3
61.02929	5.2
65.03935	1.6
67.05512	9.3
69.03429	18.0
69.07073	52.2
69.16755	3.7
69.17185	3.8
70.06593	1.4
70.07397	1.4
71.05000	4.3
73.02924	2.8
73.06563	7.4
79.05493	6.3
81.03426	9.8
81.07068	8.9
83.04993	1.8
85.02911	40.7
85.06551	2.4
87.04504	1.5
91.03967	2.2
91.05482	11.5
93.07043	7.1
95.04968	13.1
95.08609	4.4
97.02898	14.9
97.06532	14.8
97.10152	0.9
98.22532	1.5
99.04475	2.8
103.05513	1.4
105.07029	22.4
107.04955	6.2
107.08598	5.1
109.02896	5.1
109.06521	20.7
109.10169	3.2
111.04441	2.2
113.06023	5.0
115.05445	1.1
115.07577	25.0
117.07037	6.0
119.04940	1.5
119.08579	9.0
121.06535	6.8
121.10167	4.0
123.04429	7.8
123.08101	2.0
125.06002	5.8
125.09646	3.9
127.03904	7.1
128.04213	1.0
128.06247	4.6
129.06996	5.0
130.07761	1.3
131.08569	23.0
132.08852	0.9
133.06519	3.0
133.10127	15.5
134.10486	1.0
135.04442	2.6
135.08107	1.1
135.11722	3.4
137.05980	3.7
141.05482	5.4
141.07031	1.7
142.07837	1.4
143.08571	15.3
145.04967	5.3
145.06519	3.9
145.10121	30.6
146.10736	1.0
147.08076	3.8
147.11685	21.9
149.06007	1.7
149.09612	1.6
150.97765	1.0
151.03926	5.0
153.05548	1.1
154.07787	1.0
155.08549	6.7
156.09262	1.0
157.06549	2.7
157.10106	6.9
159.08084	7.3
159.11734	5.1
161.06030	1.8
161.09625	50.9
161.13306	2.1
162.10039	2.2
163.07622	1.3
163.11237	3.2
165.05591	1.0
165.06998	2.2
166.07738	1.1
167.07053	1.4
167.08563	2.8
167.10687	16.0
168.09445	1.4
169.04964	2.5
169.10147	5.6
169.12216	1.4
170.10876	1.0
171.08109	3.2
171.11676	7.4
173.09627	48.6
173.13316	3.6
174.10406	26.8
175.07610	2.6
175.11194	19.7
175.14824	1.0
177.09027	1.1
179.07144	0.9
179.08661	2.7
180.09296	1.6
181.10080	6.6
181.12292	1.1
183.08063	1.6
183.11679	8.2
184.12231	1.0
185.09677	3.3
185.13268	50.2
186.13652	3.6
187.06090	1.4
187.07568	1.4
187.11176	1.8
187.14877	1.5
191.10692	2.3
193.10159	2.9
193.11990	1.1
194.10873	2.3
195.08092	1.5
195.11662	7.5
196.08815	1.3
196.12442	1.5
197.09662	2.4
197.13272	8.0
198.13870	2.0
199.11177	5.0
199.14836	4.3
201.12819	2.4
203.06960	1.4
203.08620	1.7
205.10094	1.8
207.11717	2.8
208.12503	1.4
209.09666	3.1
209.11557	1.6
209.13326	5.9
210.14105	1.3
211.11232	3.5
211.14850	2.6
212.11842	1.5
213.09393	1.2
213.12752	24.0
213.16364	1.8
214.13300	3.3
215.14352	3.0
218.10854	2.6
219.11728	2.3
221.09656	2.1
221.13232	1.9
223.11246	3.1
223.14822	9.2
225.12759	7.0
226.13489	1.7
227.10754	1.5
227.14322	12.5
227.17958	1.2
228.15031	1.2
229.12224	2.2
231.13791	1.0
233.13248	5.8
235.11194	2.0
235.14888	1.2
236.12036	2.8
237.12752	7.1
237.16345	1.3
238.13550	2.3
239.14343	3.8
239.18068	1.7
241.12273	2.2
241.15845	6.1
243.17477	3.1
246.10446	2.0
251.14330	17.8
252.14621	1.6
253.12300	1.6
253.15887	2.4
255.13802	48.1
256.14276	5.7
261.12762	3.8
267.17590	2.0
269.15408	16.6
269.18484	1.3
269.19440	1.0
270.15732	1.3
279.13821	12.2
280.14221	1.2
281.19070	2.3
287.16400	1.9
297.14874	41.2
297.18286	2.0
298.15262	4.2
299.16373	1.3
299.19977	1.6
309.18451	3.8
313.14423	1.2
315.15897	75.9
316.16150	5.8
317.17508	1.1
327.19565	7.7
333.16968	75.8
334.17447	6.5
339.23416	1.8
345.20554	6.8
346.20844	1.7
351.18018	44.3
352.18524	4.3
357.24326	4.3
363.21924	2.2
369.19070	18.1
369.23419	1.4
370.19153	1.4
383.25858	4.1
405.24292	1.1
413.26984	1.2
423.25528	6.2
424.25589	1.2
441.26361	16.1
442.26804	1.0
459.27408	28.7
460.27713	3.4
477.21432	1.4
477.28534	14.8
478.29037	2.3
495.29831	5.6
513.30603	100.0
514.30981	14.3
639.33850	2.9
675.24573	1.9
675.35767	12.7
676.35730	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	14.4
55.01863	11.7
55.05513	38.0
57.03429	9.1
57.07061	3.9
58.14666	2.5
65.03934	10.7
65.93835	2.5
66.04704	2.9
67.05504	100.0
69.03428	56.8
69.06783	2.7
69.07074	29.0
69.11350	20.8
71.01331	4.0
71.04997	59.9
77.03912	3.1
79.05495	78.2
80.05835	2.7
81.02976	5.0
81.03417	57.0
81.07056	91.4
83.04991	16.8
83.08626	12.0
85.02905	25.1
85.06538	6.7
87.04430	2.8
91.05482	83.6
93.07046	91.9
93.92359	2.5
95.04974	27.1
95.08607	62.6
97.02894	27.1
97.06533	11.6
97.10154	6.8
98.22642	5.5
99.04469	7.1
100.06129	3.0
103.03944	4.4
103.05462	6.5
105.07034	72.9
107.04940	7.7
107.08591	45.7
108.04479	2.9
108.08850	3.7
109.02879	15.1
109.06519	10.7
109.10152	37.5
111.04422	12.0
111.08068	7.3
115.05444	10.9
116.06230	5.1
117.07019	48.8
118.46163	3.0
119.04892	3.9
119.08582	47.8
121.06519	17.1
121.10141	37.5
122.02148	3.1
123.04419	8.5
123.08047	8.1
123.11690	13.1
125.05958	3.3
127.03880	10.4
127.07566	3.5
128.06250	14.0
129.07010	32.5
130.07774	2.8
131.04880	4.6
131.07568	4.0
131.08560	69.2
133.06506	7.9
133.10144	32.6
135.08032	14.9
135.11711	28.9
137.05934	3.4
137.09613	7.8
139.07567	2.7
141.06966	8.4
142.07779	13.5
143.08556	26.5
144.05612	2.7
145.04956	2.7
145.06487	11.2
145.10112	38.9
147.04405	3.6
147.08046	11.5
147.11668	25.4
149.09663	7.5
149.13231	12.7
151.07549	2.9
153.07028	7.7
155.08591	18.3
157.06456	5.9
157.10135	22.7
158.07205	2.8
159.08115	14.4
159.11707	25.3
161.09605	8.4
161.13248	11.5
163.07562	5.0
163.11186	3.9
163.14832	4.9
165.07028	3.1
167.08562	7.2
168.09338	7.9
169.10147	15.9
171.08035	6.7
171.11678	17.4
173.09639	11.2
173.13264	22.5
175.07608	3.0
175.11220	5.7
175.14803	4.2
177.12755	4.8
179.08727	3.9
181.10065	4.2
183.11719	11.8
185.09602	4.8
185.13266	9.5
187.07610	4.3
187.11215	5.9
187.14842	8.3
189.09081	3.7
189.12762	4.1
195.11745	6.6
197.09581	3.3
197.13271	7.1
199.11295	3.6
199.14848	4.1
201.12793	18.1
201.16463	3.5
203.14412	4.5
208.03046	2.7
209.13283	6.3
211.11238	4.2
213.12729	3.8
215.14262	3.7
219.13741	12.4
225.12682	4.4
227.14299	3.7
235.13171	3.2
241.19553	3.7
243.21082	4.6
248.15030	2.9
259.20679	8.0
261.22119	13.9
271.20477	5.5
273.22006	6.5
275.20178	4.0
275.23907	2.6
277.14319	3.1
277.21671	6.2
279.23325	4.2
285.22202	5.0
289.21484	3.1
291.23071	6.7
301.21582	6.9
303.23169	13.8
313.21667	3.1
315.23132	7.3
327.15720	3.7
327.23022	3.8
341.24643	9.0
345.24283	5.2
351.23267	15.2
358.67068	3.1
369.24213	33.8
373.79059	2.8
387.25262	29.0
388.25601	3.2
397.32474	2.7
405.26398	25.1
423.27362	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	676.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.6
53.03946	14.4
55.01878	16.5
55.05509	23.7
57.03419	5.6
57.07084	4.1
65.03940	9.9
67.05508	77.1
68.05822	4.3
69.03432	39.7
69.07076	21.6
69.25862	15.3
71.04990	14.2
77.03940	3.4
79.05497	46.3
81.03421	48.7
81.07061	76.1
83.04989	9.1
83.08614	18.1
85.02901	22.1
85.06524	3.1
86.42699	2.6
88.66944	3.5
91.05484	55.7
93.03404	15.6
93.07047	43.3
95.04961	17.5
95.08610	57.2
97.02907	16.7
97.06546	5.4
97.10163	9.9
99.04491	8.0
99.08093	5.0
103.05487	13.1
105.07042	43.9
107.04953	6.2
107.08601	20.9
109.02888	12.6
109.06517	5.9
109.10149	19.3
111.04438	6.8
115.05456	48.5
117.03447	3.2
117.07027	22.3
119.08582	20.3
121.06507	9.2
121.10142	15.7
121.47990	3.0
123.08077	4.3
123.11716	11.0
125.09662	3.9
127.03926	10.9
127.05473	7.6
127.07597	4.6
128.06227	100.0
129.07019	97.8
130.07739	4.9
131.08575	17.4
133.06517	4.2
133.10117	14.3
135.11693	11.7
137.13283	6.1
141.07010	24.2
142.07814	20.9
143.08575	26.0
143.13719	2.8
145.06500	15.4
145.10135	12.0
147.08031	6.4
147.11693	9.6
149.13277	4.4
151.14877	3.8
152.06210	8.4
153.06990	57.3
154.07794	29.5
155.06075	17.7
155.08556	88.3
156.09375	14.7
157.06516	17.5
157.10143	20.0
158.07184	4.4
159.11761	5.7
161.13257	8.0
163.14876	5.2
165.07036	24.9
166.07764	10.3
168.09169	3.0
169.06491	8.6
169.10112	4.9
170.07185	3.7
171.08083	9.6
171.11674	9.4
173.13306	4.1
175.14799	5.9
177.12582	3.0
181.10098	7.1
183.08101	3.8
183.11684	4.0
187.14787	4.6
189.51550	3.4
193.12131	3.7
195.11610	3.4
199.11191	59.8
199.14832	3.9
199.93436	3.0
200.11583	3.7
201.16339	5.6
217.12238	3.7
245.22823	4.4
257.12930	3.1
259.13275	3.4
261.22165	4.4
263.23749	12.0
272.30298	3.5
275.23682	5.4
279.23224	4.8
293.24747	6.5
303.23358	5.6
305.24606	6.4
317.25082	5.2
321.24326	3.9
329.24774	7.0
343.26187	8.3
353.24673	7.2
371.25980	20.0
389.26871	17.3
407.28052	23.0
603.97870	3.3
676.28046	6.3
677.29358	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34993	1.8
70.13844	6.3
70.85149	1.8
93.63844	1.9
94.06588	1.8
98.22678	2.5
160.99486	2.0
182.25883	1.9
389.16098	2.9
403.13400	2.2
403.17871	4.9
404.18582	2.6
417.15753	6.3
429.15631	8.9
430.16592	3.7
431.17239	6.0
432.17822	3.7
443.17535	4.4
444.18066	7.9
445.19180	2.8
455.13815	5.6
459.16608	7.2
470.15866	23.2
471.16296	7.1
475.20313	2.2
486.15274	2.2
487.16458	7.7
497.14310	9.3
498.14896	3.5
501.18103	3.2
502.18536	30.4
503.18958	5.5
511.16492	2.7
514.33063	2.1
515.15344	9.4
516.15979	2.9
518.21686	4.5
528.16376	2.4
530.18115	5.9
543.18500	2.2
574.20642	4.1
575.21387	3.1
576.22705	2.4
589.22803	2.7
602.20105	3.9
616.21826	10.0
617.22693	4.1
627.20831	2.2
631.23590	5.3
634.22827	24.0
635.23560	31.9
636.23804	4.1
677.24536	100.0
677.37836	3.6
678.24939	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07035	0.3
57.80507	0.2
57.89642	0.2
60.03209	0.2
61.95748	0.2
70.06535	0.3
85.10128	0.2
88.07568	0.4
94.64326	0.2
94.95309	0.2
98.23457	0.3
149.02307	0.5
185.04230	1.0
193.04881	0.6
203.05315	1.6
256.26324	1.3
259.07898	1.4
300.85123	0.2
305.08344	0.2
333.24573	0.2
347.09479	1.3
365.10529	3.4
421.13165	1.1
435.35516	0.2
515.31915	22.1
516.32281	2.7
677.37164	100.0
678.37482	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03949	4.1
55.01868	1.3
55.05511	16.1
57.03446	3.9
57.07081	4.6
61.02929	25.2
65.03933	2.2
67.05508	76.5
68.05830	1.6
69.03031	0.6
69.03434	3.5
69.07069	12.6
69.12770	6.0
71.04988	2.7
71.08624	1.7
73.02919	10.8
75.04478	1.4
77.03922	0.8
79.05495	51.1
80.05836	0.8
81.03416	2.2
81.07062	83.7
82.07413	1.2
83.04991	1.6
83.08616	8.7
85.02908	28.4
85.06528	2.3
90.38046	0.8
91.03959	25.2
91.04881	1.0
91.05481	23.8
93.07046	58.3
94.07386	1.1
95.04976	3.9
95.08610	60.4
96.08960	1.5
97.02886	11.9
97.06554	3.9
97.10143	3.8
98.23464	1.3
98.93231	0.8
99.04451	1.1
99.08076	2.4
105.04543	1.1
105.06373	1.5
105.07037	20.1
105.07746	1.0
107.08598	39.0
108.08924	1.6
109.02929	0.8
109.06509	2.0
109.10158	31.8
111.08090	2.7
113.09647	1.9
115.03944	1.9
117.07020	9.3
119.08589	17.7
120.84791	0.7
121.10148	37.1
122.10448	1.2
123.08035	1.0
123.11713	17.2
125.09646	2.0
127.03930	9.7
129.07024	1.9
131.08572	21.8
133.10129	15.5
134.10518	0.8
135.11694	27.9
136.12064	1.3
137.09615	2.5
137.13255	7.5
139.11168	1.6
143.08592	1.2
145.04967	11.4
145.10129	16.9
146.10532	1.3
147.11703	11.1
149.09650	0.9
149.13263	23.7
150.13576	1.0
151.11185	2.2
151.14825	2.6
153.12695	1.4
159.11696	13.7
160.12067	1.3
161.13249	10.0
163.06033	19.2
163.11223	1.3
163.14839	18.0
165.12743	3.0
171.11705	1.3
173.13264	16.4
174.13634	1.8
175.14833	3.1
177.12788	1.1
177.16380	5.5
179.14304	2.7
187.14838	9.4
188.14973	0.9
189.16414	1.0
191.14232	1.6
191.81920	0.8
201.16388	3.9
205.15897	2.3
214.33336	0.7
215.17929	1.8
219.17390	2.0
233.18967	1.0
233.22720	3.3
243.21089	34.3
244.21350	2.2
253.17918	0.8
261.22150	100.0
262.22495	8.2
263.23648	1.3
279.23178	2.6
317.24835	1.1
335.25754	16.4
336.26044	1.2
353.26862	26.4
354.27234	2.2
359.55978	0.8
445.18762	2.7
469.18213	0.9
497.31100	1.6
617.22394	8.3
618.22626	2.5
645.21460	3.1
646.21582	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
55.05513	14.6
57.03430	6.8
57.07074	5.4
61.02926	20.3
65.03937	2.9
67.05505	85.6
68.05833	1.4
69.03439	3.1
69.07066	14.4
69.45629	2.1
69.46033	5.0
71.04996	4.3
73.02912	7.2
75.04459	1.3
77.85011	1.4
79.05491	44.6
81.03391	1.8
81.07058	93.9
82.07395	2.6
83.04984	3.2
83.08636	8.9
85.02908	20.1
85.06548	3.7
91.03963	17.4
91.05485	24.3
93.07043	62.8
95.04971	3.3
95.08607	72.2
96.08954	2.2
97.02903	11.6
97.06506	3.4
97.10168	4.7
98.22660	1.9
98.65865	1.4
99.08055	2.0
105.07037	18.8
107.08601	38.0
108.08950	2.1
109.06486	1.3
109.10160	38.6
111.11714	2.0
113.09644	1.7
115.03910	1.5
116.48955	1.2
117.07027	8.6
119.08585	18.8
121.10141	39.7
123.11722	20.5
125.09624	2.4
127.03896	7.5
131.08549	20.3
132.08932	1.7
133.10127	16.9
135.11691	29.4
137.09685	1.5
137.13264	7.4
139.11208	1.9
145.04976	8.5
145.10133	16.5
147.11673	11.6
149.13266	21.7
151.11172	2.4
151.14796	2.9
153.12642	1.6
159.11717	15.0
161.13246	12.9
163.06024	12.4
163.14795	14.9
165.12715	3.4
173.13261	16.4
175.14853	4.5
177.12721	1.6
177.16414	6.9
179.14268	2.1
187.14845	8.8
191.14355	2.7
201.16350	3.3
205.15814	2.2
215.17953	2.0
219.17467	1.6
233.22636	3.6
243.21089	40.2
244.21539	2.0
261.22141	100.0
262.22571	7.4
279.23169	6.5
317.25000	1.9
335.25803	33.5
353.26852	33.4
354.27136	2.4
432.12521	1.3
451.61157	1.3
497.31171	5.0
560.94592	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.0
51.02381	1.5
53.03952	5.8
55.01876	7.5
55.05512	9.9
57.03421	2.0
57.07064	1.2
59.78737	0.8
65.03942	2.9
67.05507	20.0
69.03432	31.7
69.03815	1.5
69.07067	4.3
69.35661	6.1
71.04995	29.2
77.03917	1.7
79.05493	37.6
80.05829	1.2
81.03434	8.6
81.07064	20.4
83.04993	5.6
83.08600	2.1
85.02900	3.0
85.06550	5.1
91.05483	59.6
92.05815	1.9
93.07043	29.9
94.07372	1.4
95.04977	9.8
95.08611	14.5
96.08947	1.0
97.02907	2.3
97.06533	11.8
103.03950	0.9
103.05431	2.4
105.04525	3.0
105.07033	43.1
106.07360	1.6
107.04979	2.0
107.08596	14.9
109.02888	1.8
109.06509	3.4
109.10164	6.0
111.04448	1.4
111.08102	2.8
113.06016	1.3
115.05423	4.3
117.07021	15.7
119.04912	1.9
119.08577	31.8
121.06523	6.0
121.10140	5.3
123.08083	9.2
123.11700	1.7
125.09580	1.1
127.03925	1.1
128.06223	10.4
129.07016	16.7
130.07756	2.5
131.08568	21.9
133.06508	3.0
133.10139	14.3
135.08064	4.0
135.11685	6.3
137.09630	3.8
141.06966	3.9
142.07777	8.8
143.08571	14.4
144.09354	4.5
145.06500	2.1
145.10124	7.8
146.07288	1.3
147.08040	5.2
147.11716	5.7
148.08797	1.3
149.09599	2.9
149.13272	1.7
151.11212	1.2
155.08563	4.9
156.09349	1.9
157.10143	12.6
159.08040	1.0
159.11702	17.0
161.09578	8.9
161.13235	4.7
165.41335	0.8
169.10121	2.3
170.11008	2.0
171.11710	1.9
173.09662	1.6
173.13318	2.6
175.11180	4.7
175.14861	1.0
177.12802	1.7
183.11723	1.7
185.13263	7.6
199.11230	0.9
201.12798	1.2
203.14319	100.0
204.14635	5.2
221.15379	6.4
241.19547	0.9
261.22067	1.2
369.24307	1.7
387.25226	2.5
405.26422	2.1
406.26450	1.0
549.87836	1.1
678.29694	4.0
679.37994	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	678.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28836	2.3
53.03941	10.0
55.01867	10.2
55.05515	29.7
57.03430	6.6
57.07099	11.3
59.04993	2.5
65.03934	6.2
67.05509	94.8
69.03436	49.3
69.07066	32.2
71.04996	44.6
71.08645	5.7
71.32190	2.4
71.32616	3.6
78.34261	2.2
79.05492	48.5
81.02982	3.9
81.03421	49.3
81.06583	4.8
81.07061	100.0
81.30489	2.7
83.04987	9.7
83.08612	17.0
85.02905	19.9
85.06542	10.8
90.18334	2.2
91.05486	55.5
93.07047	57.6
95.04982	18.3
95.08614	67.7
97.02901	21.0
97.06527	8.3
97.10155	10.5
99.04453	6.9
99.08101	5.6
103.03944	4.5
103.05453	2.7
105.04531	2.6
105.07029	45.0
105.07751	2.5
107.04971	6.8
107.08601	36.2
109.02868	12.3
109.06514	9.5
109.10163	29.3
111.04435	8.3
111.08076	3.8
111.11680	2.1
113.09615	3.1
115.05489	7.4
116.06254	4.9
117.07034	19.5
119.04930	4.0
119.08592	34.2
121.06516	11.1
121.10166	23.0
123.04427	6.4
123.08072	5.3
123.11699	10.3
125.09667	3.2
127.03932	10.0
128.06241	5.7
129.05481	3.7
129.07008	21.8
130.07811	3.6
131.04924	3.7
131.08574	42.0
133.06491	9.4
133.10103	24.4
135.08061	9.2
135.11688	14.3
137.05992	4.0
137.09615	3.4
137.13260	5.1
141.06992	8.0
142.07774	8.1
143.08554	14.4
145.06473	9.5
145.10138	22.1
147.08075	6.9
147.11681	15.3
149.09586	6.7
149.13237	13.4
151.11131	3.3
151.14815	4.1
153.06958	5.2
155.08560	14.5
157.06482	3.3
157.10129	14.7
159.08064	12.7
159.11664	13.0
161.09624	8.3
161.13263	11.7
163.07542	3.8
163.11142	3.0
163.14827	9.0
165.12697	3.5
165.16393	2.6
167.08522	4.7
168.09392	3.8
169.10118	7.6
171.08072	4.0
171.11711	5.3
173.09636	11.0
173.13260	7.7
175.07568	3.5
175.11179	3.9
175.14806	8.2
177.12782	2.6
181.10126	3.2
183.11661	5.0
185.09631	4.4
185.13257	7.4
187.11163	4.5
187.14845	6.5
189.16370	4.0
191.14346	3.8
197.13187	3.4
199.11255	2.6
199.14867	3.1
201.12758	15.9
201.16309	3.7
203.14391	2.6
203.17966	2.8
205.15958	3.2
207.13823	3.5
209.13266	3.4
211.14920	3.7
211.16924	4.6
213.12750	3.0
213.16434	4.2
215.14365	3.9
215.18031	2.7
216.45291	2.4
219.13811	10.6
219.17557	3.0
221.15335	2.8
233.15450	3.5
235.17017	3.1
243.21129	3.0
245.22568	5.8
255.06544	7.2
261.14859	3.1
261.22116	6.2
263.23648	9.2
273.18402	3.7
275.23697	4.1
277.14548	3.7
279.23175	2.8
285.22064	3.3
291.20004	2.5
291.23166	7.1
293.24728	7.1
303.23199	5.7
305.24747	8.9
317.24759	9.5
321.24231	3.6
325.25192	4.1
327.16028	3.4
329.24692	5.6
335.25742	6.4
343.26382	10.0
347.25980	3.5
353.24762	12.6
365.23303	2.9
371.25784	34.0
372.26270	3.6
379.70071	2.6
389.26929	30.3
390.27402	3.2
407.27945	20.4
408.28348	2.9
436.28467	7.2
553.93121	2.5
561.38818	2.9
625.44458	2.8
679.39392	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	679.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73072	0.3
55.01881	0.5
55.05511	0.9
67.05509	0.5
69.03422	0.7
69.07056	0.4
71.20096	0.4
71.20451	0.3
78.42185	0.3
79.05492	0.9
81.07060	1.4
82.06580	0.3
83.04978	0.5
83.08569	0.8
83.82174	0.3
85.02903	0.6
85.06552	0.4
91.05495	0.8
93.07038	0.5
95.08610	0.5
100.11272	3.3
105.07042	1.1
107.08617	1.0
111.00576	1.6
111.04447	0.5
112.92231	0.3
119.08601	0.9
121.06536	0.4
121.10132	0.6
125.09560	0.4
127.03973	0.4
129.06914	0.3
131.08534	0.3
133.10152	0.5
135.08073	0.3
135.11723	0.4
137.06052	0.4
141.06882	0.3
141.89536	0.3
145.10120	0.8
147.11760	0.4
157.10051	0.3
159.11777	0.7
161.13280	0.4
169.04759	0.4
171.11708	0.4
175.11272	0.4
182.15436	1.4
189.22266	0.3
191.10587	0.4
191.14270	0.4
209.16554	0.6
210.14848	1.5
246.05125	1.2
247.05865	1.9
249.14645	0.7
251.12563	1.2
287.05539	2.4
311.14661	5.2
353.15823	0.9
393.18689	2.5
395.16837	1.3
437.18106	0.7
439.19412	1.2
455.18918	7.5
455.31665	0.6
456.18930	0.5
465.21506	0.4
513.63531	0.3
617.25842	2.0
619.23669	0.6
626.75507	0.4
679.25714	100.0
680.26007	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	679.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01863	1.1
55.05513	5.6
55.76038	0.5
57.03438	1.3
57.07064	0.9
58.48521	0.5
62.96943	0.5
65.03924	1.0
67.05508	12.9
69.03432	6.8
69.07068	6.8
71.01357	0.5
71.04974	1.3
73.02901	1.3
79.05491	8.0
81.03413	4.8
81.07058	18.3
83.04966	2.8
83.08635	3.0
84.18430	0.5
85.02920	4.2
85.06534	0.6
91.05478	12.7
93.07044	19.0
95.01277	1.3
95.04971	8.7
95.08607	44.4
95.32149	0.5
96.08951	1.2
97.06534	3.5
97.10176	0.7
99.04460	2.4
99.08066	0.8
100.07584	0.6
100.11248	4.1
101.02371	0.9
103.03956	1.3
103.05444	0.8
105.04514	1.0
105.07028	24.6
106.07369	1.1
107.04974	0.9
107.08596	23.0
108.08901	0.7
109.02866	0.6
109.06513	4.0
109.10152	14.9
111.04470	0.7
111.08091	2.5
113.06004	1.0
115.05487	1.8
117.07006	6.6
119.08579	44.8
120.08919	1.3
121.06525	4.7
121.10141	16.4
122.10536	0.7
123.08081	6.2
123.11703	3.5
125.09655	1.6
128.06158	1.4
129.07030	4.3
130.07803	1.6
131.08566	19.4
133.06483	1.4
133.10132	19.7
134.10484	0.7
135.08058	4.7
135.11688	7.4
137.05983	1.0
137.09593	4.0
137.13304	0.5
141.01855	1.6
141.06941	1.6
141.09123	1.0
142.07817	3.0
143.08572	11.6
144.09341	1.1
145.06526	0.9
145.10120	27.8
146.10471	1.1
147.08057	6.2
147.11688	12.3
148.12013	0.7
149.09645	4.6
149.13246	4.3
151.11221	1.3
153.09071	0.9
155.08548	4.8
156.09319	2.6
157.10133	13.0
158.10805	1.8
159.02919	1.4
159.08075	1.7
159.11697	18.3
160.12041	1.0
161.09625	4.8
161.13252	10.1
161.30562	0.6
162.13712	1.0
163.07538	1.0
163.11180	2.0
163.14851	4.7
165.09061	0.9
167.08604	0.9
169.10141	5.5
170.10852	2.4
171.08046	0.7
171.11668	9.2
172.12413	1.4
173.09602	1.3
173.13269	12.9
174.13612	0.7
175.11203	2.9
175.14828	11.8
177.12820	2.0
177.16350	3.8
179.14319	1.8
181.10159	1.2
182.10956	1.5
182.15376	1.3
183.11707	4.6
184.12473	1.7
185.09692	1.1
185.13260	10.0
186.13925	0.7
187.11241	2.1
187.14821	37.4
188.15170	2.1
189.12764	6.6
189.16397	8.8
191.14293	4.1
195.11726	1.8
197.13301	6.1
199.14809	11.6
201.12785	2.2
201.16389	14.1
203.14317	34.0
203.17943	1.8
205.15894	7.9
207.11752	1.2
207.13797	0.9
209.13261	1.9
209.16437	1.1
210.14876	1.9
211.14847	4.5
213.12955	1.3
213.16374	12.2
215.14316	6.5
215.17932	4.2
217.12170	0.7
217.15878	10.0
219.13933	1.1
219.17361	3.1
220.17749	0.9
221.13342	1.3
221.15273	1.4
222.91061	0.6
223.14876	1.8
225.16338	2.9
227.14368	1.7
227.17958	4.3
229.15865	5.1
229.19498	1.5
231.13823	1.4
231.17479	5.7
233.15404	2.5
235.14835	1.0
235.16849	0.7
237.16452	1.8
239.17952	2.4
241.15872	1.5
241.19591	2.1
243.17480	1.3
245.15416	1.2
245.19061	1.0
247.16992	2.7
249.14716	1.0
249.18584	0.8
251.18001	2.0
253.19554	2.2
255.17578	0.7
255.21077	1.2
257.19003	1.4
259.17014	1.6
265.19598	0.9
267.21225	1.4
269.19031	1.0
271.05911	3.3
271.20779	0.8
279.21051	1.4
281.19217	0.6
281.22668	1.3
287.05612	1.9
297.21909	0.7
299.20294	1.1
305.22641	0.7
307.24045	1.2
313.21649	0.7
325.25122	1.3
335.23618	0.7
347.27808	0.7
353.24738	0.9
375.30579	1.1
385.28766	1.3
387.30530	1.1
391.30096	1.8
403.29904	6.3
405.31802	2.8
421.30994	8.3
422.31833	1.0
423.32822	4.8
431.29562	2.9
433.11353	0.9
437.30341	3.0
439.32050	3.0
441.33929	0.8
449.30481	8.6
450.30716	1.3
455.31561	100.0
456.31879	11.5
467.31561	17.6
468.31775	2.9
473.32498	1.0
485.32611	42.2
486.32855	5.4
496.34344	1.8
503.33649	22.3
504.33969	2.5
597.34241	1.2
643.24066	0.8
643.34680	13.9
644.35297	2.7
679.25568	2.6
679.37598	1.3
679.50812	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	679.3684
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
53.03949	1.0
55.01872	0.7
55.05305	0.7
55.05516	7.4
57.03424	0.7
57.07080	1.1
59.12302	0.8
65.03944	1.1
66.53795	0.8
67.05507	10.9
69.03429	6.5
69.07072	6.3
69.39751	3.1
69.40165	1.2
71.04975	0.8
71.11227	0.6
73.02913	1.1
73.75039	0.6
79.05495	8.3
81.03414	2.8
81.07059	16.7
82.06608	0.7
83.04974	2.2
83.08633	5.0
85.02901	3.1
85.06554	1.1
91.05480	11.8
93.07045	18.6
95.01342	1.0
95.04973	9.9
95.08609	42.9
96.08912	1.2
97.06527	3.3
97.10179	1.3
99.04453	2.1
100.07584	0.9
100.11260	15.0
101.02421	0.8
103.05492	1.2
105.07031	23.9
106.07336	0.9
107.08596	21.7
109.06536	4.2
109.10162	14.1
111.04424	1.7
111.08087	1.9
115.05440	1.3
117.07031	5.4
119.08583	43.2
120.08901	1.3
121.06513	3.8
121.10149	14.5
122.10503	0.8
123.08086	5.6
123.11714	3.2
125.09635	1.1
128.06238	1.9
128.07100	0.9
129.06998	3.8
130.07816	1.0
131.08571	18.3
133.06503	1.6
133.10138	20.2
135.08029	4.6
135.11699	7.3
137.09608	3.0
137.13263	1.6
139.08728	0.9
141.01828	1.3
141.06967	1.0
141.09152	0.8
142.07780	3.8
143.08554	11.5
144.09341	1.3
145.10121	29.5
146.10403	1.1
147.08075	4.8
147.10576	1.3
147.11685	12.5
149.09631	4.0
149.13300	4.4
151.11159	1.2
153.09029	0.7
154.42096	0.8
155.08553	3.4
156.09334	3.3
157.10124	15.8
158.10902	1.7
159.02933	1.3
159.08101	2.4
159.11700	17.5
159.12988	1.1
160.12114	0.7
161.09663	5.5
161.10817	0.9
161.13257	12.6
163.07533	1.1
163.11232	2.1
163.14850	5.0
167.08604	1.1
169.10117	4.8
170.10886	2.2
171.11697	9.9
172.12257	0.9
173.09669	2.1
173.13260	13.5
175.11212	2.6
175.14815	11.0
177.12677	1.6
177.16377	2.2
179.14314	1.5
181.10092	1.0
182.10925	1.4
182.15422	6.2
183.11679	5.3
184.12386	1.0
185.13251	9.3
187.11287	1.9
187.14821	37.2
188.15147	1.5
189.12775	5.3
189.16393	8.7
191.14282	4.2
191.17871	0.8
193.15817	0.7
195.11725	1.6
197.13326	5.4
199.14816	12.1
201.12773	2.2
201.16385	13.8
203.14320	33.1
203.17975	2.8
204.14685	1.6
205.15865	9.5
209.13309	2.0
209.16566	4.4
210.14940	5.7
211.14809	4.4
213.16394	10.9
214.17003	0.8
215.14333	4.9
215.17995	4.4
217.15874	9.0
219.13913	1.1
219.17470	2.9
221.15416	1.4
223.15009	1.5
225.12675	0.7
225.16322	3.4
226.19170	1.5
227.14352	1.3
227.17949	4.4
229.15869	6.4
229.19501	1.3
231.13858	1.0
231.17407	4.8
233.15387	2.6
235.16858	1.1
237.16402	1.8
239.17949	3.6
241.15923	1.5
241.19540	1.8
243.17496	1.6
245.15419	1.8
247.16881	3.5
251.17998	2.4
253.15782	0.9
253.19514	2.6
255.17395	0.8
255.21306	0.8
257.19080	1.2
259.17050	1.3
263.11926	0.7
265.19620	0.7
267.17563	0.8
267.21008	1.6
269.19321	1.1
273.18561	1.2
279.21075	0.8
281.22513	1.4
289.19540	1.1
299.20016	0.9
337.12064	1.3
339.90424	0.7
352.23950	0.8
371.25778	1.2
385.28580	0.9
391.29944	2.2
393.31631	1.1
403.29974	6.7
405.31509	3.0
409.31018	1.2
419.29413	1.3
421.30984	9.4
423.32800	4.2
424.32693	0.8
431.29590	3.4
437.30606	3.1
439.32007	2.5
449.30545	9.0
450.30664	1.0
453.34424	4.6
455.31567	100.0
456.31934	11.8
464.21741	1.0
467.31577	20.1
468.31860	2.6
473.32431	0.9
485.32571	41.6
486.33054	6.3
490.19836	1.2
496.34229	1.8
503.33698	23.8
504.33914	2.6
579.33380	1.4
625.33624	1.0
643.34741	13.3
644.35315	2.1
679.38348	1.5
679.50964	7.5
680.01501	2.0
680.50885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20853	0.4
69.32861	2.4
94.11718	0.3
109.02621	0.4
140.68448	0.4
141.05215	0.5
169.04744	7.6
174.76979	0.4
186.88919	0.4
262.34521	0.4
265.91016	0.4
429.26083	0.4
460.66464	0.4
461.25220	1.7
463.26706	0.9
554.92230	0.4
583.10785	0.5
679.38147	100.0
680.38544	14.7
680.47931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
65.42274	0.4
67.05506	1.0
69.14385	2.5
69.14783	0.5
73.09039	0.4
79.05494	0.8
81.07066	0.8
88.68252	0.4
91.05470	0.5
93.07069	0.9
95.01076	0.5
95.05016	0.4
97.02609	0.5
101.49144	0.3
105.07054	0.5
107.08578	0.4
119.08591	0.4
121.10124	0.7
131.08672	0.5
135.11652	0.4
141.05194	0.5
141.82985	0.4
147.11748	0.4
169.04810	1.2
203.05347	0.5
397.27078	3.3
412.43179	0.4
596.90063	0.5
679.38165	100.0
680.38531	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	679.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67813	0.2
60.92118	0.2
67.05511	0.4
69.07060	0.2
69.66462	1.1
79.86793	0.2
81.07076	0.3
91.05486	0.3
92.24074	0.2
93.07061	0.2
95.08638	0.5
105.07088	0.3
119.08614	0.4
133.10175	0.3
135.18073	0.2
137.05772	0.4
141.05315	0.2
169.04739	4.9
170.05162	0.3
229.91347	0.2
232.87486	0.3
241.12112	0.3
292.03006	0.2
461.24921	1.3
463.26794	1.2
679.38159	100.0
680.38501	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	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01868	1.8
55.05514	22.1
57.03439	7.9
57.07079	10.4
61.02927	17.2
65.03930	3.2
67.05507	87.0
68.05831	1.2
69.03433	2.8
69.07071	29.1
69.54885	3.2
69.67855	0.8
71.05000	2.1
71.08630	7.2
73.02921	8.4
75.04485	1.8
79.05494	24.6
80.05791	0.9
81.03418	2.5
81.07061	100.0
82.07381	2.7
83.04995	1.8
83.08623	22.0
85.02419	1.5
85.02908	20.1
85.06541	2.7
85.10181	3.1
91.03958	15.6
91.05486	19.0
93.07056	24.2
95.04964	1.9
95.08611	84.1
96.08957	2.0
97.02891	9.2
97.06546	6.9
97.10173	12.6
98.22675	1.6
99.04469	0.9
99.08097	3.3
102.09161	1.1
105.07032	14.3
105.07678	1.5
107.08596	18.8
109.06557	1.2
109.10162	44.8
110.10513	0.9
111.08099	4.2
111.11736	3.5
113.09629	2.8
119.08581	14.5
121.10152	23.9
123.08080	1.1
123.11712	21.8
125.09614	2.2
125.13246	1.8
127.03931	6.8
127.11239	1.9
129.05495	1.3
131.08536	0.9
133.10135	15.7
134.10445	1.1
135.11710	12.0
137.09650	2.1
137.13263	7.7
139.11179	1.0
141.12744	3.1
145.04926	6.9
147.11685	13.7
149.13268	12.6
151.11206	2.6
151.14833	7.8
153.12743	2.0
155.14310	3.1
159.11653	0.9
161.13261	13.2
163.06050	11.8
163.14854	10.6
165.12807	1.4
165.16391	9.5
167.14323	1.3
175.14828	11.6
177.16487	2.0
179.14345	1.8
179.17938	6.8
181.15895	1.1
183.90071	0.9
189.16380	6.0
193.04962	1.0
193.15836	1.0
197.15294	1.0
203.18057	1.3
217.19508	1.8
221.19019	1.0
237.83073	0.8
245.22650	62.6
246.23024	4.4
256.26453	2.1
257.26663	1.4
263.23712	86.1
264.24045	4.8
265.25238	1.2
281.24826	1.7
337.27359	64.8
338.27673	5.0
355.28482	7.2
389.26764	1.2
499.32809	5.2
651.12476	1.0
678.54425	2.0
679.55054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	2.1
69.07043	1.4
69.60675	3.4
77.00902	7.8
79.05493	2.3
79.21015	1.0
81.07067	3.0
91.05480	1.3
95.01952	4.9
95.08658	1.5
98.23392	1.3
100.11259	1.6
108.83659	0.9
115.95537	1.0
130.67062	1.0
131.01930	2.1
139.02348	1.0
152.20766	0.9
161.90932	1.0
173.06671	1.5
184.16975	1.1
185.06554	5.3
197.10280	3.7
199.39777	1.0
201.09721	3.6
202.09985	1.0
203.07660	1.9
207.05045	2.3
209.16623	1.4
210.14819	1.2
213.09814	1.8
215.11319	19.5
216.11510	1.2
217.10822	1.3
221.10132	1.0
223.11803	2.9
225.09680	1.2
225.13399	4.9
227.11279	3.5
231.10748	2.0
233.12180	5.4
235.11838	4.0
239.11327	4.3
241.12811	3.8
243.14409	12.1
253.12814	30.7
254.13016	2.7
257.12381	6.4
261.15625	2.0
263.11227	2.5
264.12173	3.0
265.12793	1.4
271.13855	24.3
271.16611	1.6
272.14127	1.6
281.12350	5.1
282.12878	2.3
289.17041	1.0
291.17914	1.2
309.19196	1.1
315.18103	8.2
333.19101	26.2
334.19263	2.5
348.87463	0.9
351.20142	100.0
352.20334	9.2
369.21176	25.8
370.21381	2.1
392.22897	6.1
399.31842	1.2
563.33948	1.4
627.67859	1.1
661.41449	1.2
679.41858	4.6
679.51917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29927	2.5
55.05511	6.3
57.03431	1.9
61.54313	2.0
62.43635	1.9
67.05518	2.9
68.50472	2.3
69.03445	3.1
69.07055	3.5
77.00915	7.5
79.05503	5.2
81.07056	13.5
83.04991	2.4
83.08631	3.6
85.02916	5.0
85.06569	2.7
91.05473	3.2
93.07062	5.4
95.01962	4.4
95.04975	4.3
95.08619	8.7
98.22623	4.8
99.04414	2.5
100.11263	9.6
105.07044	6.7
107.08614	3.8
108.09003	2.2
109.06483	2.8
119.08624	3.8
121.10111	5.9
123.11684	4.0
127.03949	2.4
133.10155	2.4
136.33908	2.1
149.09550	2.7
153.01859	2.3
155.05637	2.7
161.13205	2.6
165.09233	2.8
182.15425	6.6
185.06628	4.0
197.10225	5.9
201.09680	3.1
210.15001	3.8
215.11317	24.4
223.11493	2.9
225.13171	3.1
233.12306	3.7
235.11740	2.5
239.11351	4.4
241.12851	2.6
243.14398	14.0
253.12875	32.6
257.12296	4.5
263.11261	3.3
264.12048	2.8
271.13953	24.1
281.12387	5.2
287.05368	13.2
288.06021	3.1
315.18134	9.8
333.19131	22.4
351.20163	100.0
352.20316	9.3
369.21182	27.8
392.22705	7.5
679.22998	5.3
679.43396	11.9
679.52386	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	680.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35733	1.3
51.90403	1.5
53.03948	12.3
54.68751	1.5
55.01875	9.1
55.05510	11.7
55.51874	1.4
57.03449	8.8
57.07073	2.9
61.02925	6.6
65.03963	1.6
67.05511	17.8
68.99790	5.7
69.03430	39.7
69.07080	5.9
70.86013	1.3
71.05008	8.2
73.02924	8.9
74.19267	1.3
79.05492	14.9
81.03419	38.6
81.06581	2.7
81.07059	49.2
83.01369	1.8
83.04985	4.9
83.08644	8.4
85.02908	100.0
85.06528	2.8
86.03223	1.4
87.00832	46.4
91.03970	1.9
91.05475	14.8
93.07045	27.5
95.01273	1.9
95.04959	9.0
95.07984	1.5
95.08614	38.8
97.02898	45.0
97.06498	7.0
97.10191	3.7
99.04467	16.9
100.07631	2.3
100.11259	28.6
102.98438	1.4
103.03960	1.9
103.05457	1.4
105.01166	2.9
105.01873	61.3
105.07029	32.7
107.04966	2.9
107.07941	2.6
107.08600	27.8
109.02885	46.4
109.06538	5.2
109.10146	13.9
111.00803	2.9
111.04467	7.6
111.08115	3.1
113.06031	2.3
115.03957	3.1
115.05482	2.0
117.01865	4.5
117.07022	4.0
119.08591	37.2
121.06509	5.0
121.10143	21.4
123.04441	4.0
123.08080	4.3
123.11726	16.8
125.05969	1.8
125.09647	3.0
126.05522	1.8
127.03918	80.6
127.11218	1.9
128.04312	2.0
128.07120	3.5
129.01843	4.8
129.07036	4.6
131.04874	1.7
131.08577	11.8
133.06480	1.7
133.10136	24.3
135.08064	5.8
135.11710	17.2
137.05991	4.3
139.07533	4.5
139.08607	1.8
142.07796	3.5
143.08542	6.7
145.04964	33.1
145.10118	11.5
146.10887	1.3
147.02908	4.2
147.08069	4.8
147.11694	12.0
149.02345	3.8
149.09639	4.1
149.13258	3.5
151.07573	1.4
153.01849	1.7
153.09109	2.8
155.08594	3.9
155.10684	1.9
157.10150	8.4
159.02864	15.1
159.08060	3.8
159.11703	14.4
161.09657	6.0
161.13263	25.5
163.07547	4.6
163.11166	3.4
163.14859	1.8
165.09137	3.7
169.10092	3.7
171.02905	2.1
171.11699	3.6
173.09671	2.3
173.13179	3.2
175.11174	1.7
175.14775	2.7
179.10728	1.8
181.08641	3.1
182.15454	10.2
183.11699	4.3
184.60757	1.7
185.13280	2.5
187.11258	2.5
187.14813	4.0
189.03954	3.3
189.09158	1.6
189.12788	3.4
189.16396	34.2
191.14305	3.5
197.13205	2.9
199.11172	2.1
199.14839	3.9
201.12817	1.9
201.16431	2.6
203.10771	2.2
203.14362	2.2
203.17999	1.7
209.16647	6.7
210.14897	11.9
211.11166	2.3
211.14952	2.2
213.04010	7.9
213.16422	2.8
215.14293	3.6
217.15904	11.3
226.19215	2.1
227.17822	2.0
231.05009	24.5
233.15479	2.8
235.16953	30.9
237.16463	1.6
241.15869	2.6
243.17485	1.9
247.16852	3.1
249.06067	10.7
253.07195	2.0
259.16946	4.7
271.08197	1.8
271.16913	2.4
279.17520	2.6
283.16757	2.1
285.22147	2.2
287.05447	5.7
288.05768	2.0
297.18472	3.4
301.18118	3.4
303.10736	5.8
303.23169	1.8
307.16891	4.6
325.17892	14.6
326.18427	1.4
331.64908	1.6
335.65213	1.5
343.19147	7.7
361.20148	6.0
393.10126	1.6
411.18112	1.7
429.18921	2.6
447.20026	5.7
453.34375	1.8
465.21140	4.1
468.16824	1.5
557.16736	1.8
559.19513	1.6
661.50311	2.1
662.25470	2.7
662.48431	2.4
663.21143	1.7
679.51166	6.8
680.25494	2.2
680.49969	30.1
681.49695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35733	1.3
51.90403	1.5
53.03948	12.3
54.68751	1.5
55.01875	9.1
55.05510	11.7
55.51874	1.4
57.03449	8.8
57.07073	2.9
61.02925	6.6
65.03963	1.6
67.05511	17.8
68.99790	5.7
69.03430	39.7
69.07080	5.9
70.86013	1.3
71.05008	8.2
73.02924	8.9
74.19267	1.3
79.05492	14.9
81.03419	38.6
81.06581	2.7
81.07059	49.2
83.01369	1.8
83.04985	4.9
83.08644	8.4
85.02908	100.0
85.06528	2.8
86.03223	1.4
87.00832	46.4
91.03970	1.9
91.05475	14.8
93.07045	27.5
95.01273	1.9
95.04959	9.0
95.07984	1.5
95.08614	38.8
97.02898	45.0
97.06498	7.0
97.10191	3.7
99.04467	16.9
100.07631	2.3
100.11259	28.6
102.98438	1.4
103.03960	1.9
103.05457	1.4
105.01166	2.9
105.01873	61.3
105.07029	32.7
107.04966	2.9
107.07941	2.6
107.08600	27.8
109.02885	46.4
109.06538	5.2
109.10146	13.9
111.00803	2.9
111.04467	7.6
111.08115	3.1
113.06031	2.3
115.03957	3.1
115.05482	2.0
117.01865	4.5
117.07022	4.0
119.08591	37.2
121.06509	5.0
121.10143	21.4
123.04441	4.0
123.08080	4.3
123.11726	16.8
125.05969	1.8
125.09647	3.0
126.05522	1.8
127.03918	80.6
127.11218	1.9
128.04312	2.0
128.07120	3.5
129.01843	4.8
129.07036	4.6
131.04874	1.7
131.08577	11.8
133.06480	1.7
133.10136	24.3
135.08064	5.8
135.11710	17.2
137.05991	4.3
139.07533	4.5
139.08607	1.8
142.07796	3.5
143.08542	6.7
145.04964	33.1
145.10118	11.5
146.10887	1.3
147.02908	4.2
147.08069	4.8
147.11694	12.0
149.02345	3.8
149.09639	4.1
149.13258	3.5
151.07573	1.4
153.01849	1.7
153.09109	2.8
155.08594	3.9
155.10684	1.9
157.10150	8.4
159.02864	15.1
159.08060	3.8
159.11703	14.4
161.09657	6.0
161.13263	25.5
163.07547	4.6
163.11166	3.4
163.14859	1.8
165.09137	3.7
169.10092	3.7
171.02905	2.1
171.11699	3.6
173.09671	2.3
173.13179	3.2
175.11174	1.7
175.14775	2.7
179.10728	1.8
181.08641	3.1
182.15454	10.2
183.11699	4.3
184.60757	1.7
185.13280	2.5
187.11258	2.5
187.14813	4.0
189.03954	3.3
189.09158	1.6
189.12788	3.4
189.16396	34.2
191.14305	3.5
197.13205	2.9
199.11172	2.1
199.14839	3.9
201.12817	1.9
201.16431	2.6
203.10771	2.2
203.14362	2.2
203.17999	1.7
209.16647	6.7
210.14897	11.9
211.11166	2.3
211.14952	2.2
213.04010	7.9
213.16422	2.8
215.14293	3.6
217.15904	11.3
226.19215	2.1
227.17822	2.0
231.05009	24.5
233.15479	2.8
235.16953	30.9
237.16463	1.6
241.15869	2.6
243.17485	1.9
247.16852	3.1
249.06067	10.7
253.07195	2.0
259.16946	4.7
271.08197	1.8
271.16913	2.4
279.17520	2.6
283.16757	2.1
285.22147	2.2
287.05447	5.7
288.05768	2.0
297.18472	3.4
301.18118	3.4
303.10736	5.8
303.23169	1.8
307.16891	4.6
325.17892	14.6
326.18427	1.4
331.64908	1.6
335.65213	1.5
343.19147	7.7
361.20148	6.0
393.10126	1.6
411.18112	1.7
429.18921	2.6
447.20026	5.7
453.34375	1.8
465.21140	4.1
468.16824	1.5
557.16736	1.8
559.19513	1.6
661.50311	2.1
662.25470	2.7
662.48431	2.4
663.21143	1.7
679.51166	6.8
680.25494	2.2
680.49969	30.1
681.49695	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47799	3.5
52.99426	3.4
53.19076	3.6
54.14523	3.0
55.05513	14.7
57.03440	8.8
57.07076	4.8
61.02929	17.0
67.05511	53.5
69.03437	6.2
69.07081	10.6
71.04992	3.8
73.02913	8.8
79.05503	44.5
81.07064	66.3
83.04976	6.5
83.08613	9.5
85.02915	23.3
85.06551	7.3
91.03955	20.6
91.05475	20.9
93.07048	51.5
95.05000	5.1
95.08617	63.4
96.08979	4.3
97.02906	16.5
97.06592	6.3
99.04467	3.5
105.07021	28.4
107.08602	41.7
109.10168	36.8
117.07040	9.1
119.08585	16.2
121.10140	40.2
123.08065	3.9
123.11720	16.9
125.09647	3.9
125.22766	3.6
127.03934	11.2
131.08585	15.5
132.53784	3.7
133.10132	15.3
135.11705	33.4
137.09645	4.2
143.08565	4.9
145.04971	10.7
145.10141	23.1
145.11945	3.6
147.11693	15.9
149.09682	3.9
149.13264	26.5
151.07625	3.6
157.10107	4.3
159.11702	20.2
161.13251	5.0
163.06027	17.9
163.14911	10.7
165.09164	4.1
171.11615	3.5
173.13271	14.1
187.14877	8.7
207.13840	5.6
218.68802	4.1
221.15450	7.4
229.19528	39.6
230.19908	5.3
247.20572	100.0
247.23004	5.8
248.20984	9.8
254.80251	3.6
265.21503	4.7
277.18021	4.4
303.23016	4.1
321.24188	35.2
339.25330	43.6
340.25677	6.1
638.14594	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	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.7
55.01862	3.5
55.05513	30.7
57.03434	10.9
57.07077	3.9
57.31958	2.3
60.23185	2.0
65.03947	5.7
67.05507	100.0
69.03444	6.7
69.07069	25.3
71.04998	10.5
71.08620	2.9
71.32120	2.0
71.32562	2.5
76.99226	2.2
79.05495	56.9
81.03464	1.9
81.07061	77.9
83.04961	3.7
83.08619	17.7
85.06524	3.7
91.05487	48.1
91.06010	4.1
93.07041	56.6
94.07413	3.0
95.04974	6.2
95.08607	53.7
97.06542	7.9
97.10180	8.6
99.08137	2.6
105.07037	34.3
105.07674	3.5
107.04945	3.7
107.08589	35.3
109.06529	6.5
109.10156	42.5
111.08077	3.8
117.07007	12.3
117.34196	2.2
119.08585	23.5
121.10130	22.7
123.08100	2.8
123.11709	8.1
125.09666	6.2
128.06223	2.9
129.07037	6.6
131.08592	23.0
133.06575	2.5
133.10135	18.4
135.08051	2.8
135.11684	17.9
137.09616	5.1
143.08604	4.3
145.10118	11.1
147.08026	3.4
147.11676	8.3
149.09630	7.1
149.13289	8.5
157.10138	3.9
159.11627	12.1
161.09561	2.6
161.13240	4.9
163.11185	2.9
163.14967	2.9
169.10138	2.9
171.11725	2.7
173.11781	7.6
173.13310	7.8
175.14830	2.9
177.12834	2.4
185.13348	3.9
189.11189	2.3
189.16396	3.1
193.13782	2.4
203.14296	15.8
227.12814	8.0
229.14348	33.5
229.19501	2.8
243.21053	3.2
261.22141	14.6
269.17511	12.7
275.20081	21.9
293.20761	3.0
335.25833	80.9
336.26108	8.2
349.23685	11.7
367.24844	8.6
464.17035	2.3
489.35806	15.8
529.38879	20.9
569.41577	3.3
609.44867	11.4
627.45721	6.3
680.39600	2.4
681.40790	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	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01870	5.8
55.05513	26.5
57.03443	19.7
57.07081	4.6
65.03932	2.7
67.05508	92.4
69.03429	4.7
69.07072	23.4
70.24458	1.8
71.04998	6.3
71.08621	2.1
71.94807	1.9
79.05494	55.5
80.95969	2.1
81.03421	4.1
81.07060	91.8
82.60507	1.7
83.04987	5.2
83.08621	15.0
83.93105	2.1
85.06543	4.6
91.05480	39.3
93.07040	59.6
94.07387	2.0
95.04971	7.6
95.08611	53.3
97.06541	9.7
97.10182	6.7
98.23373	3.5
99.08103	3.1
105.07029	32.1
107.04946	2.9
107.08592	41.9
107.81242	1.9
109.06486	5.2
109.10152	42.7
110.10500	2.4
111.08083	5.0
117.07045	13.6
119.08582	27.7
121.06475	1.9
121.10146	25.3
123.08018	4.5
123.11729	7.3
125.09657	5.5
129.07008	3.1
131.08574	16.0
133.10136	21.3
135.08049	4.8
135.11722	16.2
137.09631	2.7
137.13272	3.4
143.08566	5.2
145.10112	13.3
147.11694	11.0
149.09619	6.1
149.13287	9.7
157.10185	4.8
159.11697	11.2
161.13271	7.1
163.11188	3.9
169.10280	2.0
171.11745	6.9
173.11729	6.0
173.13284	7.9
175.14941	2.6
183.11670	3.2
185.13300	3.1
187.14903	3.4
195.13837	2.4
203.14305	2.1
207.32642	2.0
227.12794	7.9
229.14374	19.1
243.21191	3.3
247.20595	2.5
257.19028	4.5
261.22076	12.2
267.15598	2.0
269.17493	19.3
275.20078	28.4
293.21143	5.3
309.20691	7.2
317.24667	4.5
335.25806	100.0
336.26102	10.3
349.23816	16.8
367.24689	11.8
489.35858	12.8
490.36398	2.7
529.38800	30.2
530.39386	3.7
569.41840	22.3
570.42285	3.9
609.45203	14.9
627.46155	12.1
680.40887	2.9
681.41089	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	681.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01847	0.3
68.99796	0.1
69.02349	1.4
69.03404	0.3
70.06567	0.3
79.05489	0.1
81.03392	0.4
81.07018	0.2
83.04964	0.2
85.02878	0.5
91.05463	0.5
93.07035	0.2
95.04941	0.4
95.08592	0.2
96.83279	0.1
97.02875	0.2
97.06499	0.1
99.04408	0.2
105.01776	0.1
105.07010	0.2
107.04983	0.2
107.08547	0.2
107.37232	0.1
109.02855	0.2
109.06519	0.1
119.04947	1.2
119.08536	0.3
120.08070	0.2
121.02834	0.4
121.10105	0.2
127.03875	0.3
131.04865	0.2
131.08543	0.1
133.10112	0.2
137.05972	0.7
145.02817	0.4
147.11642	0.1
151.07449	0.2
153.00685	0.2
153.01830	2.5
161.05971	0.3
163.03880	0.3
167.07024	0.2
171.02951	0.3
172.03867	0.2
187.03822	0.2
203.17279	0.1
204.06441	0.3
225.05338	0.2
229.05054	0.1
237.59459	0.1
243.06575	0.2
271.05997	100.0
272.06326	5.4
337.07181	0.2
342.19504	0.1
411.19907	0.1
433.11288	18.6
434.11652	1.3
489.15683	0.2
501.10623	0.3
519.11328	2.6
520.11737	0.2
595.16583	1.1
637.17212	0.1
661.20300	0.1
663.16644	0.2
681.16187	2.7
682.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01909	0.1
55.05507	0.4
61.02921	0.2
67.01880	0.5
67.05508	0.7
68.99815	0.5
69.03432	0.1
69.07058	0.2
69.11499	0.1
69.30548	0.7
79.05491	0.4
81.03404	0.3
81.07048	0.7
82.07381	0.1
83.08633	0.2
85.02906	0.3
85.06529	0.2
89.03912	0.3
91.03950	0.2
91.05470	0.4
93.07029	0.5
95.08595	0.6
96.08924	0.2
97.02950	0.2
98.22632	0.2
105.07024	0.3
106.06562	0.4
107.08625	0.3
109.02894	0.1
109.10136	0.2
113.54247	0.1
113.82649	0.1
117.03378	0.2
119.08583	0.2
121.10128	0.3
122.10460	0.1
129.01855	0.2
131.08572	0.1
132.04472	0.8
133.10159	0.3
134.10539	0.1
135.04424	1.5
135.11609	0.2
137.02393	0.6
149.13339	0.1
150.05507	0.5
153.01830	4.8
154.02196	0.1
161.02309	0.7
163.11119	0.2
171.02866	0.8
179.03365	0.4
199.03972	0.1
219.06516	0.2
241.04979	0.6
245.04436	0.2
245.22578	0.2
246.23053	0.2
263.23740	0.2
269.04398	0.3
269.09183	0.1
286.04773	0.1
287.05496	100.0
288.05838	6.1
323.13760	0.2
337.27350	0.2
368.74350	0.1
649.19177	0.2
681.29242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.9
55.01869	4.6
55.05504	6.5
57.03434	2.7
57.07085	19.5
59.58129	2.0
61.02916	1.8
65.03934	2.0
67.05508	26.7
69.03133	1.7
69.03436	15.0
69.07081	5.6
69.40144	9.1
71.04971	2.6
79.05503	11.4
81.03427	16.6
81.07049	18.6
83.04971	4.3
83.08622	3.5
83.61690	1.7
85.02910	24.4
85.06532	5.0
91.05488	13.3
93.07053	22.3
95.04964	14.6
95.08613	100.0
96.08930	2.4
97.02901	11.6
97.06546	6.6
99.04462	6.8
103.05471	1.7
105.07040	23.8
105.07677	2.9
107.04985	4.2
107.08594	22.4
108.04475	4.6
109.02873	8.7
109.06509	4.9
109.10165	21.8
111.04491	2.3
111.08073	4.0
115.05466	2.7
117.07025	9.4
119.08595	30.9
120.05312	1.5
121.06522	14.8
121.10165	13.4
123.08075	6.0
123.11727	4.0
127.03947	10.7
129.07024	6.3
131.04935	2.5
131.08578	12.6
133.06497	2.5
133.10144	16.5
135.08072	7.8
135.11687	6.3
137.05977	3.4
137.09622	20.3
137.13237	2.4
142.07727	2.4
143.08565	7.1
145.04967	3.7
145.06479	8.4
145.10123	17.6
147.08041	16.9
147.11719	10.8
149.09615	4.1
149.13287	5.9
151.11176	2.1
156.05736	1.7
156.09358	2.4
157.10141	9.8
159.08049	3.8
159.11682	13.5
161.09630	10.5
161.13228	8.4
163.11168	2.8
163.14828	3.1
165.09149	7.1
165.12775	2.8
167.07053	15.9
169.10106	4.0
171.08000	2.0
171.11661	9.9
173.05975	12.9
173.09665	4.1
173.13316	10.8
175.11166	2.7
175.14847	6.2
176.22894	1.8
177.12691	2.1
179.14363	2.6
181.05138	1.9
183.11678	4.0
185.09608	2.7
185.13300	7.2
187.07564	2.5
187.14873	8.0
189.12756	7.7
189.16449	2.3
190.06271	5.7
191.14368	12.6
195.11737	1.9
197.13258	3.8
199.11082	2.2
199.14838	5.1
201.12787	3.5
201.16396	4.1
202.06152	1.8
203.06941	2.7
203.14336	65.4
204.14667	5.0
205.08609	29.0
205.15941	6.1
211.14873	4.4
213.16447	6.6
215.14333	3.7
217.08649	10.9
217.15877	10.4
227.14470	2.9
229.10674	10.9
229.15767	9.6
231.17462	4.1
235.09654	9.7
239.17894	2.4
241.15962	3.3
243.17464	5.2
247.11786	3.0
257.19043	3.7
265.10690	7.4
269.19009	3.9
271.06107	5.5
283.20520	2.1
287.05545	13.9
323.23911	2.5
343.22858	3.0
383.14917	2.5
391.30447	1.8
401.16217	2.7
403.30087	3.1
409.31027	97.3
410.31277	12.4
419.29529	13.0
421.30878	16.6
421.39575	2.2
437.30545	26.6
439.32120	88.4
440.32489	12.5
450.33405	2.6
453.29984	33.6
454.30301	4.3
455.31357	4.9
457.33188	38.7
458.33246	3.2
465.30096	3.8
483.31122	50.4
484.31262	7.6
501.32224	19.1
502.32867	2.1
513.94147	2.0
518.36053	2.2
663.02069	1.8
681.28381	6.4
681.40851	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	681.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55700	0.2
50.97213	0.2
55.32859	0.3
57.64525	0.2
60.45509	0.2
68.21952	0.3
69.29511	2.0
75.04762	0.3
75.31050	0.3
79.04838	0.2
85.25799	0.2
98.23371	0.5
117.04862	0.3
137.05734	0.5
141.05234	0.4
143.94505	0.3
163.59912	0.3
167.24429	0.3
169.04732	6.8
216.38675	0.3
277.48834	0.3
293.48880	0.2
351.28656	0.3
424.10559	0.3
429.26202	0.4
446.26801	0.4
461.25220	3.1
462.25464	0.4
463.26581	2.8
619.66400	0.3
681.39728	100.0
682.40070	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53915	0.3
64.03931	0.3
69.04342	3.2
73.02519	0.3
93.07030	0.4
109.10178	0.4
117.79576	0.4
135.85857	0.3
141.26227	0.3
169.04721	5.2
169.06079	0.4
283.11551	0.4
397.27118	0.7
429.89310	0.3
431.27893	0.7
463.26913	1.4
465.28424	0.9
681.39685	100.0
682.40045	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	682.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
53.77118	1.7
55.01870	7.5
55.05511	16.4
55.21727	1.7
57.03436	7.6
57.07064	5.2
59.04990	8.6
61.02922	5.2
65.03919	3.4
67.05516	27.4
69.03436	27.1
69.07074	19.1
69.25137	9.7
69.25542	4.5
71.05003	14.8
73.02916	5.0
75.04484	2.0
79.05500	29.4
81.03411	12.5
81.07060	94.4
82.07390	2.2
83.04967	8.4
83.08613	6.7
85.02907	55.4
85.06548	22.1
87.00841	17.0
87.04454	4.5
91.05483	35.1
93.06466	3.9
93.07051	72.8
94.07394	1.9
95.04973	7.8
95.08610	66.8
97.02892	19.7
97.06518	13.1
97.10168	5.7
99.04449	6.8
99.08086	4.4
100.11257	6.7
101.11623	2.3
103.03976	1.9
103.05481	2.5
105.01883	21.2
105.07033	100.0
106.07384	4.1
107.08598	69.5
109.02900	12.2
109.06534	9.3
109.10163	42.8
111.00759	2.3
111.08086	6.4
113.09650	3.1
115.07575	4.1
117.07053	15.5
119.08588	86.0
119.09450	4.6
120.08945	2.6
121.06505	3.5
121.10152	62.3
122.10446	2.1
123.08076	7.0
123.11719	18.0
125.09648	16.4
127.03911	30.9
127.11200	3.6
129.01866	3.3
129.06989	2.4
130.07745	3.3
131.08583	22.3
133.10141	57.2
134.10442	4.2
135.08037	2.8
135.10786	3.3
135.11713	38.1
136.07552	3.2
137.05951	3.4
137.09592	4.7
137.13260	3.5
139.11172	6.8
141.09079	8.1
143.08582	4.0
143.10667	38.0
144.09254	2.4
145.04971	16.3
145.10127	67.5
147.02858	2.7
147.11688	20.5
149.09615	3.8
149.13268	11.3
151.11224	9.5
157.10123	3.0
159.02901	5.0
159.11700	45.3
160.12076	2.2
161.13269	48.7
162.13626	2.1
163.11209	3.8
163.14827	7.2
165.35631	1.7
167.14351	2.9
169.12279	5.1
171.02940	3.9
171.11647	3.0
173.13280	15.5
175.11258	2.6
175.14828	37.2
177.12755	3.6
179.14322	14.0
187.14604	2.4
189.16435	7.7
191.17961	9.9
192.18448	1.9
198.11314	2.6
199.14885	2.5
201.16402	59.2
202.16696	5.0
203.17944	2.9
205.98909	1.9
207.17415	4.2
211.13155	2.0
219.17441	51.3
220.17827	2.4
221.19002	2.3
231.05035	7.2
237.18491	22.9
238.18939	3.0
249.06091	4.8
271.05960	4.1
275.03955	3.4
401.07211	2.3
419.08011	3.8
500.88370	2.2
681.51202	6.6
682.51068	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	682.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13337	1.5
53.03948	5.7
55.01884	4.2
55.05514	28.7
57.03442	15.0
57.07078	4.9
60.04515	2.4
65.03933	6.0
67.05505	79.8
68.05840	2.3
69.03442	2.4
69.07067	31.1
71.05001	4.0
71.08650	2.6
71.31581	2.2
71.31952	3.2
79.05074	1.1
79.05494	47.1
81.07059	100.0
82.07395	2.1
83.04991	4.7
83.08610	19.9
83.97466	1.9
85.06596	1.9
86.89035	1.9
91.05482	38.8
93.07046	51.7
95.04957	5.4
95.08604	57.0
96.08924	2.9
97.06538	9.3
97.10193	6.7
105.07033	29.5
107.04993	2.9
107.08598	28.9
109.06510	5.3
109.10162	23.2
111.08109	4.4
117.07023	10.6
119.08575	20.3
120.08876	2.4
121.06551	3.8
121.10141	20.4
123.08096	3.4
123.11723	9.2
129.07004	3.3
131.08574	15.3
133.10117	16.5
135.08127	2.5
135.11707	9.7
137.13322	3.9
143.08539	3.8
145.10129	8.8
147.11687	13.4
149.09650	2.5
149.13287	3.5
153.94930	1.7
155.08481	2.7
157.10158	5.8
159.11729	7.6
161.13295	5.4
173.13315	4.5
181.56035	1.9
185.13206	2.0
189.16493	2.3
195.13869	2.3
199.14835	3.2
229.98969	1.9
239.17882	3.4
257.18964	3.2
263.23752	3.2
267.15939	3.1
269.17526	11.8
275.20056	23.7
293.21045	2.8
309.20569	11.0
337.27341	71.2
338.27667	6.5
349.23715	10.6
367.24765	5.0
478.03571	2.1
531.40448	33.4
532.40594	4.8
571.43622	29.6
572.43994	3.3
606.27625	2.1
608.79413	2.0
611.46539	13.4
629.47644	7.4
682.43463	8.9
683.45148	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	683.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05515	4.2
57.03428	1.1
67.05507	11.8
69.03445	7.2
69.07060	7.2
72.61013	1.0
79.05501	8.1
81.03415	3.8
81.07064	18.4
83.04980	4.5
83.08629	3.1
85.02913	13.5
91.05470	12.5
93.06133	1.1
93.07053	22.4
95.04975	12.8
95.08609	46.8
97.02904	1.7
97.06529	3.9
97.10178	1.3
98.22602	2.1
99.04456	3.2
105.07035	26.5
106.07352	1.3
107.04954	2.0
107.08601	23.7
109.01005	1.0
109.02879	1.5
109.06539	3.7
109.10159	17.7
111.08131	2.9
115.05496	2.0
117.07043	5.7
119.08585	49.8
120.08942	1.3
121.06509	5.2
121.10156	19.5
121.82008	1.0
123.08096	6.4
123.11716	5.7
127.03940	3.0
128.06232	2.6
129.07010	3.5
131.08574	20.7
133.06497	1.8
133.09236	1.7
133.10153	22.1
135.08102	5.8
135.11679	8.4
137.05972	1.2
137.09645	4.5
137.13255	2.1
141.07042	2.1
143.08592	9.6
144.09348	2.3
145.04950	1.2
145.10130	29.8
147.08095	5.4
147.11668	11.7
149.09642	3.5
149.13261	6.5
151.11198	1.5
155.08545	3.5
156.09378	3.3
157.10129	14.4
158.10883	1.5
159.11694	20.6
161.09595	5.5
161.13242	12.8
163.11211	1.5
163.14897	6.3
165.09145	2.0
167.08597	1.1
169.10164	5.9
170.10895	1.6
171.11668	11.3
173.09692	1.9
173.13252	13.9
175.11217	3.1
175.14822	12.7
177.12794	2.3
177.16412	3.8
179.10625	1.4
179.14389	3.1
182.11003	1.2
183.11720	4.3
185.13245	8.8
186.31258	1.1
187.11253	1.3
187.14844	39.8
187.16597	1.9
188.15144	2.0
189.12723	5.2
189.16371	8.8
191.14330	3.5
192.47229	1.2
195.11752	1.9
197.13257	4.6
199.14871	12.1
201.12646	1.4
201.16391	15.7
202.16730	1.4
203.14325	33.8
203.17824	2.3
205.15929	10.4
209.13258	2.2
211.14885	4.8
213.16388	9.5
215.14340	6.8
215.17960	2.8
217.15932	11.7
221.15327	1.4
225.16454	2.1
227.17940	3.3
229.16010	5.7
231.17407	6.1
232.17540	1.3
233.15331	1.7
235.14850	1.8
239.17921	2.3
241.19662	1.6
243.17476	1.3
245.15352	2.3
247.16936	1.5
253.19485	2.5
258.05435	1.6
259.17059	1.7
267.21027	1.2
286.04761	3.5
287.05563	6.3
353.24988	1.1
385.28876	1.3
391.29816	2.0
403.29874	7.4
405.31705	2.7
421.31131	8.7
422.31393	1.7
423.32593	4.9
431.29233	4.6
436.10083	3.9
437.30478	2.1
439.31967	4.6
449.30490	6.4
455.31558	97.5
456.31946	11.4
460.67438	1.1
467.31598	15.1
485.32635	100.0
486.32950	9.4
496.34103	2.4
503.33710	44.8
503.41147	2.4
504.33829	4.3
521.34784	2.7
646.74689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.05504	7.0
57.03434	1.3
61.77919	1.1
62.84880	1.1
65.03940	1.8
67.05507	11.6
69.03432	10.8
69.07079	8.1
77.03935	1.3
79.05499	11.3
81.03416	2.2
81.07053	18.3
83.04994	2.4
83.08617	3.0
85.02902	12.3
91.05479	15.0
92.05785	1.1
93.07047	20.5
95.04975	13.6
95.08609	57.6
95.09231	3.0
96.08930	1.4
97.06531	4.5
97.10199	1.7
98.23386	5.0
99.04454	3.9
105.04644	1.3
105.07032	28.6
106.59457	1.1
107.08590	25.4
109.06512	3.8
109.10156	18.0
111.08075	3.3
116.06275	1.1
117.07030	5.4
119.08581	55.3
120.08933	2.2
121.06499	4.4
121.10147	18.4
123.08049	6.0
123.11713	3.7
127.68848	1.2
128.06194	2.0
129.06985	5.1
131.08568	22.4
133.06474	1.8
133.10132	24.1
135.08072	5.7
135.11713	5.9
137.09618	2.6
142.07779	2.2
143.08562	13.6
145.10118	37.3
146.10518	2.1
147.08069	5.7
147.11664	13.3
149.09656	3.5
149.13275	6.7
151.03380	1.1
155.08556	5.3
156.09319	3.4
157.10132	19.3
158.10741	1.3
159.08018	1.5
159.11687	21.5
161.09628	6.9
161.13292	13.4
162.13579	1.3
163.11134	2.1
163.14827	5.3
165.12668	1.4
169.10165	6.4
171.11690	9.3
173.09583	2.7
173.13246	15.6
174.13710	1.4
175.11215	2.6
175.14847	10.9
177.12782	2.3
177.16400	3.7
182.10837	1.4
183.11719	5.0
184.12479	1.8
185.13220	12.1
187.14825	38.1
188.15143	1.6
189.12758	4.4
189.16374	11.2
191.14334	3.5
197.13310	6.8
199.14824	13.0
201.12715	1.7
201.16376	16.5
203.14305	36.4
203.17882	1.9
204.14708	1.9
205.15884	9.5
209.13290	2.0
211.14816	4.4
213.16441	9.8
215.14360	6.2
215.17982	3.4
217.15874	11.1
219.17401	2.8
221.15382	1.5
223.14784	2.1
225.16447	4.5
227.17972	4.5
229.15877	6.3
230.36649	1.1
231.17476	7.3
233.15411	1.5
239.17845	2.6
241.19594	2.3
245.15411	2.8
247.16980	2.3
251.17986	2.4
253.19624	3.0
257.18906	1.7
307.24365	1.4
309.25934	1.1
327.23080	1.2
385.28909	3.0
403.29910	5.0
405.31537	2.7
409.31427	1.5
419.29315	2.3
421.30945	10.4
423.32458	4.8
431.29214	2.8
437.30139	1.6
439.31699	4.5
449.30505	9.7
455.31540	100.0
456.31863	13.4
467.31500	15.2
468.31778	1.8
485.32639	98.2
486.33002	11.8
503.33636	42.3
504.34073	5.7
521.34753	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	683.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05512	6.6
57.03442	8.8
57.07084	1.6
65.03925	1.1
66.64108	0.9
67.05512	9.7
69.03439	6.8
69.06738	0.8
69.07018	9.3
70.06588	1.8
71.04997	40.5
73.02909	2.2
75.04478	3.5
77.03896	1.0
79.05499	10.8
81.07065	20.5
83.04975	4.6
83.08620	2.5
85.02911	56.0
85.06538	1.6
86.03231	1.1
86.09704	1.9
87.04483	1.2
91.05465	15.0
92.32741	0.8
93.07053	20.5
95.04975	12.1
95.08037	1.7
95.08611	23.2
96.08924	1.1
97.02915	0.9
97.06551	4.7
97.10156	1.2
98.23457	1.6
99.04446	2.0
99.08100	1.3
103.05473	1.7
105.04525	0.9
105.07035	36.8
106.07377	1.4
107.08603	21.3
109.06509	4.4
109.10173	13.5
111.04470	4.4
111.08092	2.9
113.05997	1.3
115.05418	1.6
116.06176	1.0
117.07017	9.3
119.04948	1.5
119.08588	41.0
119.09443	2.1
120.08922	1.5
121.06519	7.4
121.10143	17.2
123.08038	4.8
123.11721	3.0
125.09639	1.4
128.06223	4.2
129.05498	8.5
129.06987	7.8
130.07755	3.1
131.08575	33.2
132.85204	0.9
133.06502	3.7
133.10141	25.7
134.10449	1.8
135.08064	6.8
135.11731	7.1
136.31561	1.1
137.06000	1.9
137.09633	2.6
141.06967	3.0
142.07776	6.7
143.04692	1.1
143.08577	24.0
144.09282	2.4
145.06461	2.6
145.10124	52.3
146.10487	1.6
147.06686	1.7
147.08061	9.9
147.11690	13.8
149.09685	4.9
149.13272	5.8
151.11247	1.3
155.08569	8.2
156.09433	5.6
157.10135	31.7
158.10886	3.3
159.08084	5.4
159.11705	30.0
160.08838	1.0
160.12119	1.2
161.09642	13.2
161.13226	14.6
163.07579	1.5
163.11186	3.4
163.14833	3.7
167.08585	1.3
168.09335	2.6
169.10141	11.2
170.10947	4.7
171.08154	1.5
171.11699	23.7
172.12267	1.5
173.09660	5.4
173.13261	36.3
174.13626	1.9
175.11238	6.5
175.14827	9.6
177.12778	2.8
179.08495	1.2
181.10161	4.4
182.10925	2.4
183.11681	17.2
184.12341	1.4
185.09691	2.8
185.13268	49.3
186.10260	1.8
186.13617	1.9
187.11209	4.6
187.14822	32.8
188.15154	1.6
189.09230	1.8
189.12756	15.0
189.16420	3.6
191.10709	1.1
191.14307	8.8
193.10307	1.6
193.15981	1.3
195.11723	3.8
196.12422	1.4
197.13252	12.4
199.11005	2.0
199.14832	26.3
201.12769	11.4
201.16409	8.0
202.13112	1.3
203.14319	34.8
204.14635	2.5
205.12216	2.8
205.15923	6.0
207.11618	2.7
207.13766	1.6
209.13335	4.7
211.14790	11.0
213.12805	3.4
213.16368	7.2
215.14336	12.7
215.17860	1.7
216.14677	1.2
217.15874	13.8
219.11729	2.5
219.13783	18.0
219.17296	1.4
220.14223	1.4
221.13319	2.2
221.15353	5.1
223.14880	3.0
225.12758	1.3
225.16414	2.8
227.14249	2.3
227.17944	3.0
229.12140	1.1
229.15924	7.4
231.11745	1.2
231.13821	5.7
231.17502	3.6
233.13370	1.3
233.15327	4.7
235.14946	1.4
235.16914	1.5
237.16565	2.2
239.14307	1.1
239.17926	2.0
241.15765	2.2
243.17490	2.1
245.15385	3.5
247.17010	2.2
253.19522	1.1
257.15390	1.2
259.16959	1.0
261.16418	1.5
263.16449	1.2
277.14258	2.1
277.19495	1.6
279.17371	1.1
283.20596	1.0
339.26953	1.1
343.23938	1.1
371.27490	1.9
373.28790	1.3
383.27164	1.4
387.25562	1.0
389.28412	6.8
391.29819	3.1
401.28293	5.2
403.29907	2.8
407.29556	9.5
408.29626	1.5
409.30991	1.3
410.56418	1.0
417.27817	2.6
419.29507	9.4
420.29547	1.0
421.31006	2.7
425.30487	3.8
429.27859	2.1
435.28983	14.0
436.29129	1.3
437.30478	9.3
438.30978	1.1
447.29016	9.0
448.29443	1.3
453.30045	11.0
455.31812	4.4
465.30017	17.1
466.30444	2.2
471.31079	88.7
472.31381	9.1
473.32587	2.3
483.31070	20.8
484.31534	1.7
499.07358	1.3
501.32138	100.0
502.32434	10.8
519.33179	52.5
520.33856	6.6
537.34259	4.4
548.98315	1.0
617.37323	5.6
647.37317	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	683.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.4
57.07078	5.9
63.59660	4.6
67.05508	22.3
69.03435	14.2
69.07079	19.2
69.19742	14.9
69.20163	15.5
70.06597	29.2
70.61114	3.8
71.04987	3.9
73.02924	4.4
74.27090	3.8
79.05473	25.5
79.09367	4.0
81.03428	8.7
81.07053	58.9
83.05019	8.3
83.08627	11.7
84.04539	4.0
84.08163	6.7
85.02911	41.5
86.09724	5.4
91.05452	31.5
93.07039	41.8
95.08614	77.1
97.02918	13.6
97.06534	8.7
97.10164	5.6
105.07026	72.3
107.08598	84.0
109.02892	9.8
109.06517	9.2
109.10154	41.3
110.07196	4.6
111.08112	12.3
117.07037	13.6
117.79298	3.9
119.08580	88.2
121.06533	6.6
121.10149	42.8
123.08075	10.6
123.11699	23.2
125.09599	20.2
127.03906	10.2
128.06224	5.9
129.07007	15.8
131.08565	46.4
133.06546	6.0
133.10114	59.3
135.08055	6.0
135.11696	30.9
136.07626	6.8
137.05980	23.2
137.09650	9.9
141.06978	5.9
142.07829	7.2
143.08571	38.5
144.09309	5.9
145.10121	100.0
147.11693	37.6
149.09657	7.8
149.13298	15.4
155.08569	15.2
156.09367	18.0
157.10129	48.3
158.10741	7.3
159.08081	7.9
159.11679	89.0
161.06052	5.9
161.09637	14.9
161.13263	40.5
163.07582	4.9
163.14877	8.7
167.07053	16.0
169.10065	24.9
170.10928	16.7
171.11673	39.7
173.13274	50.6
174.13652	6.4
175.07481	7.9
175.14835	24.4
177.12700	4.7
177.16362	11.3
179.14447	4.9
181.04999	11.7
181.10158	7.0
182.11005	6.0
183.11667	39.3
185.13243	69.3
187.07753	5.1
187.14816	81.6
189.12799	9.6
189.16402	17.5
191.14342	5.4
191.18053	5.7
195.11803	8.8
197.13188	26.0
199.14793	56.5
201.12819	10.0
201.16426	48.5
203.14293	24.9
203.17961	6.1
205.15936	17.3
209.13243	11.9
211.14799	22.0
213.16409	27.8
215.14410	9.2
215.18018	7.5
217.15825	25.3
219.13950	4.9
219.17490	21.6
221.13335	5.6
223.14832	13.9
225.16441	14.1
227.14386	7.2
227.17963	11.3
229.15886	18.2
231.17497	5.7
233.08043	5.5
237.16396	12.7
239.18033	9.1
243.17406	10.2
245.15446	5.5
247.17087	5.4
249.16443	6.6
251.17921	5.2
253.16103	5.7
253.19420	7.3
265.19595	4.3
268.05634	4.5
269.87976	4.6
281.22470	5.0
287.05627	5.9
291.21085	5.6
299.19763	4.7
345.32791	4.3
347.27316	6.5
359.02905	8.1
363.27142	7.3
387.30627	5.3
391.26001	5.9
403.29938	30.1
405.31573	42.5
409.27411	15.2
417.15329	5.0
419.29660	5.3
421.26111	6.5
421.31134	63.4
422.31262	7.2
423.32401	26.0
431.29346	17.4
437.31000	5.3
439.31970	22.2
449.30444	80.1
450.30890	9.3
467.31644	58.9
471.30670	6.5
479.80600	4.6
485.32700	47.9
503.33679	48.2
683.19696	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	683.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03307	1.2
53.03930	2.5
53.68832	1.3
55.05503	3.6
55.24601	1.3
55.76168	1.3
57.07066	1.8
67.05502	10.9
67.54162	1.5
69.03428	5.7
69.07077	7.4
69.09811	9.3
69.10230	4.1
79.05492	7.7
81.03413	2.0
81.07064	15.6
83.04995	2.3
83.08649	2.7
85.02910	11.8
91.05470	10.5
93.07053	19.4
95.04984	10.3
95.08606	50.7
96.08949	1.5
97.02875	1.8
97.06536	3.4
105.07035	25.1
107.08599	24.1
109.06508	2.6
109.10148	13.4
111.08086	2.2
117.07014	4.9
119.08586	42.4
121.06506	4.1
121.10137	15.8
123.08067	5.5
123.11736	2.5
129.07016	3.9
131.08577	18.3
133.10141	24.1
135.08076	3.5
135.11691	6.7
137.09608	3.8
140.91782	1.3
142.07797	3.6
143.08569	9.4
145.10123	29.9
146.10382	1.8
147.08063	5.4
147.11737	10.7
149.06013	1.8
149.09599	3.6
149.13258	5.2
155.08583	4.1
156.09343	2.7
157.10130	13.1
158.10854	2.2
159.08041	2.7
159.11687	20.4
161.09601	4.8
161.13248	11.6
163.14821	4.2
169.10100	4.0
171.11668	9.4
173.13271	16.2
175.11189	3.5
175.14806	11.9
177.12758	3.0
177.16377	3.8
179.14279	2.7
181.10168	1.5
182.10873	2.1
183.11568	3.6
185.13234	9.0
187.14825	40.0
189.12758	5.8
189.16385	5.9
191.14337	2.7
193.15901	1.6
193.85497	1.7
197.13237	5.4
197.59758	1.7
199.14850	10.6
201.12901	1.7
201.16393	12.4
203.14325	37.2
203.18004	2.0
205.15881	9.6
209.13293	2.4
211.14732	4.1
213.12697	1.5
213.16330	7.6
214.11630	1.5
215.14299	7.3
215.17891	2.2
217.15849	10.2
223.14766	2.2
225.16388	2.3
227.17896	2.6
229.15872	4.2
229.19482	1.8
231.13722	1.7
231.17451	5.7
233.15411	3.2
237.16418	2.7
241.19527	1.7
247.16853	3.1
249.11115	3.0
257.19080	1.6
393.31442	1.5
403.29883	6.0
421.30890	10.2
422.31433	1.7
423.32578	4.0
431.29391	2.4
439.32144	2.6
449.30630	11.4
455.31583	100.0
456.31946	10.0
467.31583	12.6
485.32663	94.5
486.33023	12.5
503.33685	42.0
504.33725	5.8
643.24274	1.9
683.21289	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05682	1.1
55.05504	3.4
58.43563	1.1
67.05505	9.7
69.03425	5.9
69.07066	5.8
69.09736	9.9
69.10130	2.4
74.56499	1.2
79.05482	4.8
81.03402	1.4
81.07057	16.4
83.04975	2.5
83.08620	3.6
85.02895	10.0
85.06551	1.4
91.05479	12.1
93.07027	16.7
95.04973	7.1
95.08605	41.9
97.02881	1.7
97.06543	2.6
97.10162	1.2
99.04453	2.7
105.07031	24.4
107.08591	22.2
109.06510	3.8
109.10151	12.7
111.08048	1.6
117.06981	3.8
119.08576	41.9
120.08981	1.6
121.06495	4.3
121.10146	14.8
123.08067	5.8
123.11700	2.9
125.09612	1.5
127.03930	1.7
128.06183	1.8
129.07014	2.7
131.08575	18.9
133.10135	18.5
135.08060	4.3
135.11684	7.5
137.09673	3.1
142.07851	2.1
143.08575	10.8
145.10123	28.0
147.08064	5.2
147.11662	10.2
149.09615	5.1
149.13220	6.1
154.81529	1.1
155.08568	1.9
156.09335	2.2
157.10126	14.9
159.08102	1.6
159.11684	16.3
161.09648	5.0
161.13246	11.8
163.11165	2.6
163.14844	4.6
169.10049	3.9
170.10841	1.2
171.11678	9.7
172.12302	1.4
173.09634	1.5
173.13263	12.4
175.14807	9.6
177.12733	2.0
177.16376	3.4
179.14345	2.1
183.11700	5.2
185.13254	9.3
187.14821	35.8
188.15179	2.6
189.12708	5.1
189.16338	8.4
191.14282	4.3
195.11684	1.8
197.13336	5.8
199.14781	12.5
201.12758	2.4
201.16360	12.1
203.14305	36.0
203.18027	2.1
204.14699	1.6
205.15907	8.7
209.13303	2.2
211.14828	3.5
213.16415	10.5
215.14363	5.4
215.17969	3.5
217.15900	9.9
219.17526	1.5
223.15001	1.5
225.16383	2.8
227.14401	1.9
227.17973	4.5
229.15900	7.2
231.13707	1.6
231.17488	4.6
233.15337	1.9
239.18027	1.5
241.15840	2.6
241.19521	1.5
243.17514	2.0
245.19032	1.6
247.16963	2.2
253.19550	2.4
259.17032	1.3
277.19598	1.7
309.25940	1.6
327.14703	1.2
334.79016	1.4
335.23563	1.5
384.15582	1.4
391.29984	2.3
403.30057	7.0
405.31665	2.7
409.31171	1.4
421.30896	9.4
423.32498	5.1
431.29623	2.9
437.30280	2.1
439.31769	5.0
449.30466	10.3
455.31570	100.0
456.31863	12.7
467.31503	17.3
468.31677	2.6
485.32626	99.2
486.33084	11.0
503.33649	40.3
504.34311	6.4
521.34869	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	683.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.05504	5.5
57.03450	1.1
57.07091	2.1
65.03941	1.8
67.05502	13.8
67.05824	0.9
69.03432	8.9
69.07060	6.1
69.08373	2.4
69.08792	5.7
71.05025	1.9
79.05496	8.7
81.03442	3.8
81.07063	21.7
83.01334	1.2
83.04993	3.0
83.08640	3.0
85.02907	14.0
85.06564	3.0
87.00828	0.9
89.96032	0.9
91.05473	10.7
92.16262	0.8
93.07053	19.6
94.07398	0.8
94.38752	0.9
95.04968	9.0
95.08611	42.0
96.08976	1.3
97.02917	3.2
97.06541	5.6
97.10164	1.5
98.22636	1.8
98.75072	0.9
99.04474	2.9
103.05456	0.9
105.01844	1.0
105.07037	27.7
106.07370	1.4
107.04971	1.3
107.08599	23.1
108.08949	0.9
109.02903	2.4
109.06522	4.3
109.10160	16.2
111.08113	2.7
115.05437	1.5
116.06184	0.9
117.07020	5.8
119.08585	48.5
120.08915	2.5
121.06500	4.1
121.10157	16.1
123.08068	6.9
123.11708	5.5
124.73213	0.8
125.05988	1.4
125.09653	2.1
127.03942	3.0
127.11231	1.3
128.06204	1.4
129.06995	3.3
130.07817	1.4
131.08578	17.7
131.09497	1.4
133.06496	1.7
133.10130	23.3
135.08087	6.0
135.11702	11.4
137.09631	3.9
139.07587	1.0
141.07001	1.2
142.07845	2.5
143.08562	11.0
143.09554	1.4
143.10718	2.0
144.09338	1.3
145.04976	2.1
145.06505	1.6
145.10121	29.6
146.10559	1.1
147.08061	5.9
147.11699	12.6
149.09665	3.2
149.13254	5.1
151.11227	1.8
153.09149	1.2
155.08566	4.2
156.09341	2.4
157.10132	14.3
158.10843	1.6
159.08130	2.8
159.11690	17.9
160.12077	1.4
161.09608	4.8
161.13257	13.4
163.07655	1.6
163.11215	3.2
163.14771	4.9
169.10132	5.3
170.10959	1.2
171.11717	8.9
173.09657	2.2
173.13281	13.0
174.13658	2.0
175.11237	2.9
175.14818	11.2
177.12782	3.3
177.16333	4.6
179.14395	1.5
181.10098	1.3
182.10945	1.5
183.11720	4.1
184.12540	1.0
185.13261	8.2
187.11246	1.6
187.14827	38.1
188.15251	2.3
189.09236	1.1
189.12714	5.8
189.16380	8.6
191.14320	4.1
195.11719	1.4
197.13272	5.4
199.14796	11.0
200.15192	1.0
201.12804	2.5
201.16408	13.0
203.14317	36.8
203.18013	3.8
205.15898	9.6
207.13882	1.4
209.13324	1.9
211.14865	4.0
213.16360	9.9
214.16833	1.0
215.14325	4.2
215.18002	3.5
217.15872	8.7
219.13733	1.2
219.17413	2.0
221.13161	1.7
223.14809	2.1
225.16394	3.8
227.14519	1.0
227.17981	3.2
229.15865	5.8
231.17476	7.1
233.15395	3.5
235.16966	1.2
237.16432	1.5
239.17935	2.4
239.20091	1.5
241.19568	2.1
243.17445	1.9
245.15321	1.4
245.19142	1.1
247.16917	2.1
251.17958	1.5
253.19617	2.2
257.19028	1.7
259.16888	2.3
267.21127	1.7
279.21039	1.0
281.22589	2.3
287.05457	1.0
293.22711	0.9
385.28836	1.1
393.31754	1.6
403.30124	6.2
405.31470	3.9
409.31134	1.0
421.31091	11.7
422.31277	1.4
423.32736	4.9
431.29517	2.6
437.30441	2.0
439.32315	6.1
449.30524	8.3
450.31030	1.2
455.31567	100.0
456.31830	10.9
467.31436	15.2
468.31885	1.3
485.32639	96.2
486.32852	11.9
503.33664	45.2
504.33786	5.4
521.34656	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	683.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01874	2.4
55.05515	5.5
57.07079	0.9
60.04541	1.0
65.03954	1.2
67.05503	13.1
69.03434	9.8
69.07071	9.4
71.04992	2.1
75.50975	0.9
79.05501	10.0
81.03424	1.8
81.07060	21.2
83.04975	3.2
83.08624	3.2
85.02905	13.2
85.06535	1.5
91.05470	15.3
91.57473	1.0
93.07043	21.9
95.04971	11.6
95.08607	49.7
96.08930	2.2
97.02881	2.7
97.06534	4.3
97.10161	1.1
98.23343	3.1
99.04446	3.3
99.08113	1.1
105.06372	2.0
105.07037	28.1
106.07374	1.4
107.08602	25.2
108.08930	1.8
109.02872	2.0
109.06533	5.8
109.10169	17.1
111.00902	1.2
111.08096	4.5
115.05412	1.4
117.07026	7.3
118.54705	0.9
119.08586	49.8
120.08899	2.6
121.06474	4.6
121.10146	17.8
123.08059	6.2
123.11711	4.2
127.03934	3.1
128.06200	1.5
129.07019	5.1
131.08582	21.9
132.08937	1.2
133.09213	1.6
133.10149	20.7
135.08067	6.8
135.11708	9.4
137.06000	1.5
137.09633	3.8
137.13289	1.8
141.06998	1.7
142.07796	3.7
143.08582	11.4
145.04926	1.6
145.10126	28.0
146.10551	1.3
147.08063	4.4
147.11699	13.9
149.09613	4.5
149.13303	5.1
151.11174	2.1
155.08531	3.5
156.09338	2.9
157.10136	15.0
158.10909	1.2
159.08031	2.1
159.11699	17.1
161.09631	5.0
161.13275	12.1
163.11197	1.9
163.14839	3.1
169.10129	5.4
170.10825	1.8
171.11665	11.2
172.12375	1.3
173.09633	2.3
173.13277	14.2
175.11185	3.2
175.14822	8.7
177.12862	2.3
177.16405	3.8
177.41467	1.0
179.14334	1.5
181.10135	2.1
182.10912	1.5
183.11612	4.6
184.12421	1.2
185.13257	10.1
186.13620	1.0
187.14822	37.3
188.15155	2.0
189.12799	6.6
189.16391	8.2
191.14276	6.1
193.12259	1.1
193.15887	1.2
195.11710	2.1
197.13277	4.7
199.14822	10.8
201.12735	2.6
201.16406	13.0
203.14328	32.8
203.18079	2.1
204.14668	1.5
205.15891	9.2
207.13831	1.2
207.90201	0.9
209.13292	2.1
211.14839	4.7
213.16391	11.0
215.14339	6.7
215.17972	3.2
217.12479	1.0
217.15904	10.8
219.13945	1.0
219.17320	1.7
221.13321	1.3
225.16438	3.8
227.17958	3.7
229.15907	7.4
231.13890	1.6
231.17476	6.2
233.15373	3.8
239.17966	3.2
241.16046	1.5
241.19531	2.3
243.17523	1.6
245.15329	3.0
247.17094	1.7
251.18059	1.3
253.19543	3.2
259.17004	1.1
267.21167	1.6
291.21323	1.5
371.25644	1.4
381.31686	1.1
385.29065	1.8
390.28787	1.1
391.29977	1.6
393.31656	1.5
403.29758	3.9
405.31680	2.0
419.29718	1.5
421.31113	7.8
423.32443	3.6
431.29559	2.9
439.32004	4.3
449.30548	10.7
455.31567	100.0
456.31796	11.0
467.31503	15.5
468.31848	2.5
485.32626	97.6
486.33032	12.6
496.34198	1.3
503.33664	41.7
504.34079	5.5
521.34637	3.0
630.20697	1.4
683.21973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01857	1.5
55.05504	4.4
57.07056	1.7
58.37971	1.2
63.03591	1.2
65.03944	1.1
67.05505	12.3
69.03419	7.7
69.07070	6.0
70.51588	3.1
78.86943	1.2
79.05501	7.8
81.03419	2.2
81.07062	17.3
83.08615	2.5
85.02911	11.0
85.06513	1.7
91.05475	10.7
93.07040	21.2
95.04972	9.2
95.08609	55.6
96.08936	1.9
97.02900	1.8
97.06543	2.4
97.10129	1.1
99.04490	1.9
105.07034	25.2
105.99148	1.3
107.04931	1.6
107.08591	23.9
109.02857	1.5
109.06507	2.7
109.10156	14.9
111.08076	2.9
115.05468	1.6
117.07011	5.6
119.08581	47.9
119.09437	2.6
121.06519	4.1
121.10147	15.5
123.08099	6.4
123.11713	3.1
127.03962	1.4
128.06218	2.6
129.06970	4.0
131.08562	20.6
133.10129	21.9
135.08047	5.1
135.11673	7.7
137.09624	3.8
141.06999	1.4
142.07820	3.3
143.08565	10.8
144.09274	1.7
145.10126	29.5
147.08028	5.7
147.11668	12.1
149.09604	3.5
149.13287	4.7
151.11203	2.4
155.08545	4.9
156.09290	2.2
157.10126	15.5
159.08083	3.1
159.11685	16.2
161.09589	4.6
161.13249	11.9
163.14847	5.5
169.10139	4.7
170.10844	1.7
171.11713	6.8
172.12422	1.9
173.09680	2.3
173.13261	13.1
175.11214	2.3
175.14809	12.2
177.12668	2.9
177.16359	3.6
179.14259	1.5
181.10138	1.7
182.10930	1.7
183.11690	4.4
184.12473	1.3
185.13222	10.1
187.11208	1.7
187.13084	1.8
187.14815	36.3
188.15082	1.6
189.12775	5.6
189.16388	8.3
191.10728	1.5
191.14320	4.5
197.13229	5.9
199.14807	14.8
201.12904	1.6
201.16397	13.5
203.14322	37.5
203.18034	2.4
204.14702	2.2
205.15915	9.1
209.13278	1.9
211.14786	3.4
213.16403	10.3
215.14380	6.7
215.17921	2.2
217.15869	11.1
223.14897	1.8
225.16415	3.1
227.14207	2.2
227.18030	3.4
229.15843	5.1
231.17543	7.1
233.15247	3.4
235.14755	1.4
237.16312	1.7
239.17761	2.0
241.19524	1.6
243.17400	1.7
245.15482	1.7
247.16969	2.6
249.14668	1.3
253.19493	3.4
257.19046	1.3
294.78244	1.4
365.28610	1.5
371.25934	2.0
385.28918	1.7
391.29834	1.9
403.29739	5.8
405.31516	3.4
421.31082	7.9
423.32574	3.4
431.29391	3.8
437.30505	2.2
439.32077	4.8
449.30649	9.2
455.31543	100.0
456.32266	10.6
467.31537	17.1
485.32642	94.1
486.33044	10.3
503.33713	36.7
504.34018	5.8
521.34204	3.4
602.40710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
52.08413	1.5
53.03948	2.9
55.05511	8.4
65.03972	2.1
67.05499	12.9
69.03434	8.1
69.07059	6.7
69.09463	1.5
69.15640	7.4
79.05493	11.7
79.54745	1.4
81.03427	3.3
81.07058	22.8
82.03374	1.3
83.04978	4.0
83.08639	2.1
85.02915	14.9
85.06547	1.9
91.05464	15.9
93.07049	23.7
95.04961	12.5
95.08607	50.4
96.08943	2.1
97.02937	3.3
97.06535	4.6
99.04450	2.4
103.05515	1.6
105.07037	31.9
105.07751	1.6
107.08592	27.2
109.02853	2.4
109.06534	6.7
109.10157	16.3
111.08094	2.9
117.06955	7.2
119.08578	49.8
120.08909	2.6
121.06519	4.1
121.10149	22.5
123.08076	4.6
123.11713	5.3
127.03944	2.4
128.06203	2.4
129.07011	4.4
130.07765	1.4
131.08566	21.8
133.06549	1.7
133.10133	22.4
135.08072	5.1
135.11688	10.0
137.05980	3.3
137.09644	4.3
141.06949	1.5
142.07788	2.8
143.08571	14.6
145.06573	1.6
145.10127	39.2
146.10518	2.5
147.08051	4.8
147.11679	14.4
149.09651	2.8
149.13284	6.7
155.08575	6.6
156.09386	2.5
157.10127	16.4
158.10901	2.1
159.08066	3.1
159.11684	19.7
160.12115	1.5
161.09596	7.3
161.13264	16.0
162.13611	1.7
163.11197	2.6
163.14850	5.8
169.10176	5.6
170.10852	1.9
171.11667	11.2
172.12308	1.6
173.13260	15.9
175.14848	16.3
177.12830	2.7
177.16425	5.4
183.11690	6.4
185.13211	11.8
187.14812	49.2
188.15245	3.8
189.12746	7.1
189.16383	9.2
191.10721	1.7
191.14322	5.2
195.11797	2.8
195.22443	1.5
197.13240	4.9
199.14819	14.9
201.12733	2.8
201.16370	15.4
203.14301	41.2
203.17970	3.4
204.14662	1.9
205.15901	11.2
210.85587	1.4
211.14763	7.3
213.16437	12.2
215.14284	7.4
215.17957	3.7
217.15857	10.8
219.17516	3.0
221.13359	2.3
223.14827	2.3
225.16467	2.8
227.14247	2.2
227.18044	4.5
229.15936	7.0
231.13876	2.4
231.17392	8.4
233.15439	2.2
237.16437	2.7
239.17929	2.8
241.19450	3.5
243.17513	2.3
245.15489	2.8
247.17044	2.1
251.18002	2.9
253.19513	3.2
253.48441	1.5
255.17421	1.8
259.16876	1.5
279.21152	1.7
281.22525	1.9
340.20667	1.5
371.26035	1.8
385.28745	2.4
391.30026	3.8
403.30054	9.2
405.31613	3.5
419.29471	1.9
421.31036	11.3
422.31808	1.9
423.32739	3.8
431.29636	2.2
437.30609	3.7
439.32001	5.3
449.30551	12.7
455.31561	100.0
456.32010	10.3
467.31705	16.7
468.31790	3.0
485.32587	96.4
486.33002	12.2
503.33713	40.7
504.33878	5.7
617.36877	3.7
647.37952	3.4
683.22266	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53314	1.0
53.03949	2.2
53.37333	1.2
55.01875	3.0
55.05510	6.1
57.03451	2.3
57.07090	1.4
58.81802	1.1
61.60363	1.1
65.03957	2.0
67.05505	13.8
69.03429	12.0
69.07069	8.9
70.15298	1.2
70.46310	3.3
70.46669	1.5
71.04996	2.8
79.05508	9.8
81.03413	2.9
81.07061	20.7
81.73787	1.4
82.07358	1.1
83.04997	2.7
83.08625	3.8
85.02910	16.3
85.06526	1.4
85.36434	1.2
87.00845	1.5
91.05461	14.4
93.07053	20.3
95.04975	12.4
95.08607	53.2
96.08987	1.5
97.02901	3.0
97.06541	5.6
97.10174	1.8
99.04480	4.0
105.07034	30.6
107.08598	29.9
109.02905	2.4
109.06528	5.7
109.10161	18.9
109.10830	2.1
111.08078	4.6
113.05983	1.2
115.05431	1.6
116.06271	1.7
117.07051	7.4
119.08581	50.4
120.08932	3.0
121.06514	7.3
121.10139	19.1
123.08098	6.8
123.11716	4.2
125.09599	1.8
127.03949	4.5
128.06244	2.1
129.07001	4.9
131.08574	22.8
133.06506	2.1
133.10120	23.4
135.08070	6.3
135.11676	12.5
137.05974	1.9
137.09637	3.6
142.07799	2.4
143.08569	13.6
143.88626	1.3
144.09404	2.0
145.04971	2.3
145.10126	32.1
146.10478	2.3
147.08109	6.6
147.11703	15.4
148.12025	2.3
149.09637	3.0
149.13287	4.7
151.11189	1.4
155.08606	5.0
156.09340	2.1
157.10133	12.9
158.10878	2.4
159.08031	2.5
159.11703	19.6
160.12016	1.9
161.09654	4.9
161.13225	14.5
163.07568	1.5
163.11147	1.7
163.14854	4.8
167.07085	1.7
167.08543	1.4
169.10130	7.2
171.11694	9.7
172.12463	1.8
173.09648	1.3
173.13255	14.8
175.11189	3.0
175.14796	12.4
177.12758	2.9
177.16405	3.4
179.14296	2.2
181.10207	1.3
182.10733	1.6
183.11714	6.0
185.13274	10.0
187.11203	2.4
187.14824	41.6
189.12779	5.0
189.16393	8.4
191.14320	5.5
193.12155	1.6
195.11832	1.6
197.13292	6.3
199.14822	10.7
201.12849	1.6
201.16399	14.2
203.14314	35.7
203.18010	2.5
204.14703	1.8
205.15869	9.0
207.11813	1.4
209.13289	2.4
211.14880	4.2
213.16377	9.9
215.14334	7.6
215.17935	2.9
217.12318	1.8
217.15834	10.9
219.17455	3.9
221.15285	1.7
221.19031	1.8
223.14787	1.9
225.16353	3.4
227.17941	3.1
229.15939	6.3
231.17480	4.9
233.15385	3.8
237.16434	2.1
239.17905	3.4
241.19472	1.6
247.16994	3.4
253.19502	2.9
255.17686	1.4
278.22382	1.5
297.08295	1.3
297.22385	1.5
307.24231	1.4
385.28699	2.0
391.29742	2.5
403.29999	4.4
405.31454	3.7
421.30902	10.1
423.32687	5.0
431.29456	3.4
437.30563	2.2
439.32211	4.3
449.30606	10.2
455.31577	100.0
456.31940	13.3
467.31635	14.6
468.32156	1.8
485.32629	97.2
486.32922	13.1
503.33652	44.3
504.33875	3.8
521.34637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05688	0.3
57.40188	0.5
67.05508	0.8
71.32605	0.5
79.05523	0.5
79.31284	0.4
81.07081	0.4
98.92681	0.4
119.08583	0.4
123.10892	0.4
128.47661	0.4
137.05769	0.7
141.05133	0.4
169.04744	7.7
169.06096	0.6
180.58536	0.4
186.98622	0.4
209.52180	0.4
212.30821	0.4
214.56931	0.4
243.13641	0.4
463.26672	2.5
465.28485	2.6
683.41260	100.0
684.41595	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	683.413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06755	2.1
79.05495	0.4
81.07072	0.6
93.07037	0.4
95.08638	0.5
105.07051	0.4
109.10152	0.3
114.62085	0.3
152.74120	0.2
184.55553	0.3
214.38716	0.3
243.13641	0.5
245.15244	0.6
256.73383	0.3
368.37354	0.3
373.36588	0.3
461.25119	3.6
463.26785	4.0
559.23535	0.7
619.25720	0.7
620.25208	0.3
651.25421	0.3
683.41248	100.0
684.41602	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	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10836	0.6
53.03946	4.7
55.01875	3.4
55.05508	2.6
57.03437	1.8
57.07082	0.9
61.02920	1.9
65.03938	1.1
65.16798	0.6
67.05492	0.8
69.03433	11.5
69.19491	4.3
69.19900	1.4
70.06584	1.7
71.04986	1.7
73.02913	2.1
79.05486	3.1
80.51681	0.7
81.03419	20.0
81.07032	1.3
83.04979	0.7
83.08614	1.4
85.02908	27.3
87.00825	12.5
91.03938	1.4
91.05435	2.0
93.07037	1.1
95.04953	2.1
95.08594	1.8
97.02890	13.4
99.04488	5.6
100.11260	9.9
101.11581	5.8
102.11914	0.8
103.05475	2.7
105.01872	8.3
105.07024	3.0
107.04956	8.0
107.08591	1.9
108.04468	1.9
109.02883	12.0
111.04420	1.4
115.05447	5.4
117.01862	2.3
117.06213	0.8
117.07028	13.1
119.08569	3.2
121.10174	1.0
123.04440	3.1
124.05228	1.9
125.05962	1.4
127.03920	17.6
128.04266	0.7
128.06206	1.1
128.07079	0.9
129.01816	1.2
129.07040	2.9
129.80824	0.7
130.04149	1.1
131.08589	4.6
133.06488	1.7
133.10129	1.1
135.11635	0.7
137.05975	1.5
141.06937	1.1
144.05693	2.0
145.04958	7.0
145.06477	32.5
145.10109	0.9
146.06784	1.1
147.04369	1.0
147.08009	1.4
147.11671	1.2
151.07433	1.0
151.86737	0.7
152.04787	1.6
153.05533	0.9
155.04932	1.1
155.06006	4.7
156.05704	7.0
157.06454	2.2
158.81485	0.6
159.02887	8.8
159.08055	5.9
159.11760	0.9
160.05215	1.1
161.05984	2.5
167.07042	52.6
168.07390	2.1
169.07683	1.0
173.05984	59.7
173.13243	1.1
174.06378	3.2
175.07562	1.8
176.04681	0.9
179.07104	0.7
181.04988	1.6
181.08569	1.5
182.15416	1.9
183.06383	0.9
183.11731	0.7
183.15779	2.9
184.05202	1.7
184.15984	1.6
187.07538	7.3
187.14824	1.3
189.16409	0.8
190.06256	33.4
191.06950	3.1
193.08662	2.8
199.14838	1.1
201.16365	1.7
202.06261	3.8
203.07010	5.7
205.08606	100.0
206.08911	3.5
207.06483	1.8
209.16594	1.2
210.14926	1.8
210.16782	1.7
211.15268	1.8
211.17143	1.8
212.15440	2.4
213.04048	0.9
217.08607	43.3
218.08983	2.7
219.08163	1.5
219.10162	3.7
219.17546	0.8
223.09636	3.1
230.06569	0.9
231.04999	4.1
232.08833	0.8
235.09656	28.4
236.10040	1.0
247.07478	1.6
247.09663	7.1
248.08080	2.2
249.08984	1.0
251.10651	0.8
261.09009	0.9
262.09875	1.0
263.10538	1.1
264.07751	1.8
265.10721	35.6
266.11142	1.3
269.08029	1.7
271.09644	2.5
275.06958	1.0
276.07721	1.0
279.10260	0.8
281.08243	0.8
282.08823	0.8
285.28888	0.8
291.10138	2.4
293.08017	1.2
299.09000	1.0
307.09595	2.4
308.10333	1.2
309.10715	0.9
315.08670	6.5
318.08719	0.7
319.09500	0.7
323.12753	1.7
330.10986	14.1
331.11667	3.6
336.09863	1.1
337.10620	1.1
339.12338	2.0
343.11935	1.2
351.12323	5.5
356.12488	0.8
368.12399	1.2
369.13196	2.0
371.14865	2.8
383.14926	14.3
385.16479	1.1
401.15985	17.9
402.16238	1.1
417.15387	1.1
451.31833	1.1
469.33063	1.2
665.50934	4.1
683.52185	19.1
684.52606	4.2
684.62268	0.8
685.52039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.79588	1.2
55.01871	8.6
57.03437	9.5
61.02915	3.5
61.06408	0.9
69.03431	30.8
69.92857	3.5
71.04979	2.6
73.02925	5.8
81.03427	7.2
85.02907	100.0
86.03249	2.3
87.04436	1.0
91.08649	1.0
97.02896	35.1
99.04453	9.5
101.02368	5.0
103.03938	1.2
108.42104	0.9
109.02895	7.5
110.04682	1.0
115.03934	3.9
127.03916	80.2
128.04268	2.0
139.03911	1.0
145.04958	78.5
146.05298	2.0
151.03816	1.1
163.06012	31.6
165.05501	0.9
185.21982	0.9
199.06085	1.5
211.05951	1.1
217.07051	1.3
223.06053	4.0
229.06970	1.5
241.07104	1.8
253.07199	2.5
259.08182	3.9
271.08121	5.6
273.55380	1.0
289.09167	11.5
325.11230	11.7
431.14752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.79588	1.2
55.01871	8.6
57.03437	9.5
61.02915	3.5
61.06408	0.9
69.03431	30.8
69.92857	3.5
71.04979	2.6
73.02925	5.8
81.03427	7.2
85.02907	100.0
86.03249	2.3
87.04436	1.0
91.08649	1.0
97.02896	35.1
99.04453	9.5
101.02368	5.0
103.03938	1.2
108.42104	0.9
109.02895	7.5
110.04682	1.0
115.03934	3.9
127.03916	80.2
128.04268	2.0
139.03911	1.0
145.04958	78.5
146.05298	2.0
151.03816	1.1
163.06012	31.6
165.05501	0.9
185.21982	0.9
199.06085	1.5
211.05951	1.1
217.07051	1.3
223.06053	4.0
229.06970	1.5
241.07104	1.8
253.07199	2.5
259.08182	3.9
271.08121	5.6
273.55380	1.0
289.09167	11.5
325.11230	11.7
431.14752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.05513	13.8
55.77699	2.1
57.07065	3.2
59.05003	2.8
65.03959	2.6
67.05505	14.2
67.57747	2.1
69.03422	11.1
69.07075	17.5
69.14175	5.8
69.14570	17.6
71.04995	22.3
71.51894	2.0
73.02932	2.5
79.05493	25.0
81.03426	7.9
81.07056	91.2
83.04982	6.3
83.08621	4.0
85.02913	25.4
85.06536	5.4
87.00833	12.2
91.05461	14.0
93.07049	46.0
95.04974	4.1
95.08612	34.8
97.02918	6.5
97.06559	5.3
97.10157	5.4
99.04457	3.8
99.08098	3.8
100.11254	4.7
101.11577	4.7
105.01904	14.8
105.07036	49.3
107.08594	53.3
109.02871	6.2
109.06557	5.6
109.10155	39.4
115.17920	2.5
117.07050	4.3
119.08588	71.1
121.06482	5.6
121.10159	16.0
123.11710	24.1
125.09621	7.1
127.03918	14.3
127.11202	28.7
131.04930	8.1
131.08615	4.3
133.10129	42.7
135.10664	5.2
135.11694	100.0
136.12090	3.4
137.05972	6.8
137.13286	6.0
139.11235	3.5
143.10660	27.9
145.04988	5.6
145.06453	3.8
145.10135	9.4
147.11713	25.8
148.12022	2.6
149.09648	2.4
149.13271	8.8
151.11151	2.5
153.12732	4.7
159.11684	6.0
161.13257	16.5
163.07484	4.8
163.11182	3.5
163.14845	4.6
165.05801	2.3
165.12643	3.7
175.14859	9.3
176.15120	5.2
187.11229	3.6
203.17957	67.9
204.18277	4.1
205.08589	4.4
210.14885	2.4
220.55057	2.6
221.19014	96.6
222.19386	4.4
231.05031	4.2
239.20142	6.1
249.06155	6.4
307.91241	2.4
329.47018	2.6
456.31348	3.6
665.51624	2.6
683.52527	17.3
684.52258	9.1
685.51904	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	684.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53118	2.0
53.03938	5.2
55.01869	6.3
55.05512	5.4
57.03435	18.0
61.02919	13.3
63.94480	2.5
67.05490	5.9
69.03432	39.4
69.07075	7.1
70.06586	3.0
70.67918	4.7
70.68312	5.0
71.01357	10.3
71.04992	3.3
73.02921	35.9
79.05492	7.9
81.03411	14.8
81.07060	9.6
83.04988	9.3
85.02911	100.0
85.06528	4.0
86.09704	3.0
87.04474	5.4
91.03973	4.3
91.05456	12.1
93.07050	16.5
94.21870	2.3
95.04993	15.9
95.08606	18.5
97.02901	45.2
97.06541	6.6
99.04472	8.7
103.03932	5.2
105.07032	20.9
107.08588	22.3
109.02921	12.5
109.06534	10.0
109.10172	12.9
111.04440	27.4
115.03928	22.1
117.03510	2.2
117.07050	4.4
119.08590	37.7
121.06498	8.7
121.10149	31.3
123.04453	3.9
123.08068	6.3
123.11688	5.2
125.06000	4.5
125.09649	4.8
127.03901	24.6
129.05479	20.0
129.07010	5.6
131.08566	12.8
133.04945	11.8
133.06488	3.8
133.10132	40.9
135.08070	6.9
135.11652	11.3
137.05975	4.0
137.09676	5.6
142.07802	2.6
143.08583	7.1
145.04956	16.4
145.10104	22.6
147.06531	11.5
147.08093	5.6
147.11688	25.0
149.05983	7.1
149.09634	6.2
149.13278	6.5
151.07579	7.9
154.39427	2.3
155.08556	4.5
157.10107	11.3
158.10916	2.6
159.08058	8.2
159.11707	18.0
161.09631	7.2
161.13228	6.0
163.06177	3.5
163.07587	3.4
163.11240	3.4
165.12749	3.5
167.07063	4.4
167.08578	2.5
169.08757	3.2
169.10155	7.8
170.10890	2.6
171.11752	10.4
173.09647	10.7
173.13277	32.2
175.11232	2.9
175.14827	56.0
176.15257	2.5
177.09158	3.3
179.10736	3.1
183.08069	2.5
183.11708	6.0
185.09651	2.8
185.13286	10.4
186.13455	2.6
187.11171	6.0
187.14784	17.0
189.16367	4.1
191.10709	3.1
191.14314	2.5
193.10234	2.3
193.15894	9.7
195.11716	4.3
196.12402	2.5
197.09631	4.4
197.13307	4.7
197.43933	2.5
199.11201	2.6
199.14772	14.0
201.12750	2.6
201.16389	3.5
203.14429	4.0
205.15919	4.2
209.13312	3.4
211.14888	7.2
213.12758	4.2
215.10675	4.8
215.14365	2.9
217.15872	6.8
223.14781	2.8
225.16400	6.1
227.14430	3.1
229.15836	5.6
233.11617	3.4
235.14761	2.7
241.07127	2.5
241.15913	7.8
243.17494	4.2
247.16899	3.4
253.15883	39.4
259.16934	6.5
259.61783	2.3
271.16959	61.7
272.17307	3.3
289.14774	4.6
289.17990	91.8
290.18402	6.9
297.10654	2.8
307.19034	62.6
308.19406	5.4
325.20135	8.4
388.16098	2.7
433.22382	13.7
451.23230	20.8
469.24255	9.9
510.59622	3.0
613.28375	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	684.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01868	7.2
55.05503	5.8
57.03444	18.2
57.07092	3.0
61.02919	13.7
65.03938	2.2
67.05496	8.7
69.03084	2.5
69.03431	36.6
69.07063	8.6
69.32404	12.8
70.06586	5.3
71.01352	9.0
71.04984	5.3
72.08139	2.0
73.02916	27.5
79.05493	8.7
81.03414	15.8
81.07042	10.6
83.04980	8.7
83.08599	2.9
84.08160	2.3
85.02904	100.0
85.06547	5.0
86.09693	4.4
86.27790	1.9
87.04471	3.7
90.18201	2.4
91.03965	4.0
91.05402	11.6
93.07029	14.8
95.04983	16.1
95.08601	16.1
97.02888	41.7
97.06509	3.9
99.04451	10.1
103.03928	3.9
103.05476	2.9
105.07024	24.6
107.08594	20.8
109.02901	9.7
109.06506	11.7
109.10162	13.9
111.04436	16.0
111.08121	2.1
113.06022	3.2
115.03918	15.6
117.07008	5.1
119.08572	48.6
120.08897	2.4
121.06516	10.1
121.10133	29.7
123.04409	2.7
123.08091	7.2
123.11685	7.6
125.06010	7.1
125.09531	2.6
127.03913	21.3
129.05501	12.8
129.06995	4.5
131.08585	13.3
133.04987	7.0
133.06552	2.0
133.10132	44.3
135.08047	5.2
135.11678	9.4
136.07565	2.9
137.05984	7.1
137.09634	3.9
139.07574	2.9
139.11139	2.8
141.06984	3.1
142.07758	3.9
143.08542	9.1
145.04955	13.6
145.06520	2.6
145.10104	23.2
147.06546	10.4
147.08051	6.2
147.11673	27.3
149.05997	7.5
149.09612	8.3
149.13261	4.9
151.07564	8.0
155.08533	4.4
157.10121	11.5
158.10834	3.8
159.08067	7.0
159.11728	17.5
161.06015	2.4
161.09612	7.3
161.13266	6.5
163.05997	4.5
163.07430	5.0
165.12726	2.5
167.07085	3.2
167.08540	2.3
169.10146	8.4
170.10864	4.7
171.06676	3.1
171.08067	4.6
171.11687	7.9
173.09616	8.6
173.13234	22.8
174.13573	2.1
175.14819	74.0
176.15167	4.4
177.09215	2.5
177.12692	3.1
182.10880	2.1
183.11722	6.7
185.09634	5.0
185.13251	9.1
185.46194	1.9
187.09650	2.3
187.11174	8.5
187.14813	18.4
189.09035	3.0
189.16397	3.4
191.14354	6.0
193.15889	17.3
195.11626	2.6
196.72794	1.9
197.09706	3.2
197.13313	7.6
199.14749	12.3
201.09073	2.2
203.10709	2.9
203.14270	2.4
205.15935	3.4
209.13297	3.0
210.13954	2.5
211.11208	3.2
211.14810	6.9
213.12677	4.0
215.10617	4.9
215.14091	2.8
217.15874	7.1
219.10229	3.1
223.14844	3.5
225.16405	5.1
227.14377	2.7
229.15889	7.8
231.17738	2.3
233.11739	3.2
235.14894	3.0
235.16946	2.5
241.07054	2.2
241.15811	9.8
245.15448	2.0
253.15877	49.7
259.16913	8.0
271.16919	79.0
272.17184	3.9
277.18021	2.8
289.17990	78.5
290.18298	3.6
307.19028	66.2
307.22571	3.3
308.19315	6.0
325.20078	13.7
326.20227	3.2
433.22107	15.5
451.17706	2.7
451.23343	14.7
469.24240	8.5
471.93008	2.3
522.18494	2.5
631.29791	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	684.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01864	5.8
55.05507	7.3
57.03439	21.5
57.07064	2.5
59.24714	1.3
61.02934	17.2
67.05493	9.6
69.03079	2.7
69.03430	41.3
69.07079	10.8
70.06581	1.8
70.13824	1.3
70.70618	2.0
70.70968	2.9
71.01356	10.4
71.05001	3.8
71.41122	1.3
73.02920	33.7
79.05491	7.1
81.03421	14.9
81.07066	13.8
83.01338	2.9
83.04970	7.2
83.08626	2.4
85.02908	96.2
85.06542	5.2
86.03262	1.8
87.04464	4.7
91.03940	4.5
91.05463	9.6
93.07047	16.3
95.04966	9.8
95.08604	17.8
97.02267	3.2
97.02894	49.9
97.03516	3.2
97.06535	3.3
99.04446	6.7
103.03950	5.4
103.05423	2.1
105.07037	20.4
107.04967	2.1
107.08598	24.9
109.02863	8.2
109.06519	7.6
109.10168	9.6
111.04447	28.4
113.02379	2.0
113.06055	1.9
115.03927	17.8
117.06999	4.0
119.08577	48.9
120.08904	2.2
121.06506	6.6
121.10139	27.2
123.04440	2.8
123.08096	6.9
123.11733	6.9
125.05982	6.0
127.03925	18.0
129.05484	18.6
129.06998	4.1
131.04878	1.7
131.08575	14.3
133.04985	12.1
133.06528	4.3
133.10129	43.9
134.10506	2.4
135.04362	1.6
135.08067	6.2
135.11707	17.6
137.05965	8.5
137.09654	2.3
139.11092	2.0
143.07053	3.4
143.08556	7.8
145.04965	16.2
145.06061	2.1
145.06529	2.6
145.10138	18.6
147.06497	7.6
147.08051	4.6
147.11687	28.3
149.05969	8.7
149.09631	5.7
149.13246	4.0
151.07558	12.3
153.09044	1.8
155.08540	3.5
156.09309	2.3
157.10152	10.6
158.10841	3.5
159.08084	4.9
159.11722	16.0
161.09657	7.3
161.13252	6.2
163.06018	3.9
163.07457	2.3
163.11182	3.4
165.12746	3.4
167.07002	3.8
169.08705	3.2
169.10120	7.1
171.08093	1.9
171.11685	6.1
173.09619	6.2
173.13274	29.5
174.13722	2.5
175.14825	69.6
176.15178	4.0
177.09062	2.9
177.16351	2.7
181.10100	2.9
183.11659	5.6
184.12439	1.7
185.09625	2.5
185.13295	10.1
187.09627	3.7
187.11206	7.0
187.14828	19.6
189.09181	2.1
189.16418	4.7
191.10724	4.9
191.14308	3.9
192.14726	1.6
193.15907	10.5
195.11549	1.7
196.12451	2.0
197.09601	4.1
197.13284	7.1
199.14795	12.2
201.12776	2.1
203.10648	2.4
203.14307	4.0
205.12166	2.4
205.15823	2.7
207.06487	2.9
209.13373	2.6
211.14752	11.9
213.12805	4.9
215.10664	5.0
215.14313	3.8
217.15816	7.2
223.14839	1.8
225.16370	7.3
229.12209	1.9
229.15930	7.7
233.11726	3.1
235.14851	2.3
235.17023	1.9
241.07068	3.3
241.15910	4.4
243.17432	4.0
247.17018	1.8
253.15869	19.8
259.08002	1.8
259.16965	4.1
269.13800	2.4
271.16931	63.1
272.17264	4.3
273.09821	1.8
273.12643	1.5
289.17990	100.0
290.18335	4.8
307.19019	69.3
308.19312	4.7
325.20114	11.5
429.16064	1.6
433.22321	4.5
451.23163	15.2
452.23444	2.1
469.24307	11.2
487.25415	2.8
631.29480	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	684.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83487	2.6
51.98888	2.2
53.03947	3.8
55.01869	4.6
55.05503	12.3
57.03452	4.1
57.07059	3.5
67.05508	17.2
69.03431	15.6
69.07063	16.4
69.18801	20.7
70.06583	2.6
71.04994	23.3
79.05474	18.8
81.03434	8.0
81.06577	5.1
81.07059	100.0
82.07378	2.5
83.04984	8.7
83.08635	8.5
85.02919	30.0
85.06558	4.8
87.00821	12.4
91.05450	17.0
93.07042	40.8
95.04970	10.4
95.08617	39.1
97.02901	9.7
97.06541	5.5
97.10184	4.5
99.08120	5.3
100.11255	6.2
101.11584	2.8
103.05457	6.0
105.01855	15.9
105.07031	55.6
106.07386	3.9
107.04984	4.3
107.08598	55.8
108.08945	3.6
109.02892	8.7
109.06525	6.8
109.10165	40.2
111.01997	2.5
111.04473	3.5
111.08111	4.1
117.07047	5.6
119.08581	74.4
120.08923	3.8
121.06534	3.1
121.10157	18.3
123.08088	5.6
123.11703	23.1
125.09663	5.4
127.03946	20.1
127.11195	26.1
129.07042	5.1
131.04927	7.4
131.08614	7.5
133.10132	46.8
134.10487	3.7
135.08054	3.3
135.11696	94.9
136.12027	3.9
137.05946	3.4
137.09593	3.0
137.13297	5.7
139.11208	3.8
140.90250	2.9
143.10667	28.6
144.11002	2.9
145.04996	7.6
145.06544	3.0
145.10155	9.8
147.11697	27.9
149.13275	8.3
151.11159	4.2
153.12770	6.8
159.08116	3.1
159.11705	5.6
161.13281	20.3
163.07567	3.0
163.11230	7.7
163.14815	7.0
171.02948	3.6
171.11678	5.0
173.09717	4.7
173.13390	3.5
175.14844	11.1
176.15144	3.5
177.16489	3.1
185.13251	3.8
187.11160	5.2
187.14894	2.7
203.17975	67.6
204.18439	3.4
205.08655	3.1
212.28191	2.7
215.10591	2.6
219.17500	5.8
220.17873	3.5
221.15668	3.9
221.19008	99.6
222.19395	7.0
231.04996	5.7
239.20023	6.1
249.06067	5.0
258.71970	2.6
307.26462	3.0
359.02826	3.4
486.33151	2.8
487.30432	11.3
570.12665	3.1
683.51910	10.9
684.52020	6.8
685.52142	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	684.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.22168	1.4
54.29814	1.3
55.01878	2.8
55.05507	4.9
55.77001	1.4
57.03445	2.2
59.45449	1.3
67.05510	7.7
69.03432	6.5
69.07058	5.9
70.06602	3.6
71.04996	2.2
73.04765	1.9
74.18796	1.4
79.05496	8.1
81.03416	2.8
81.07062	18.8
83.04970	3.2
83.08636	2.2
85.02911	13.8
85.06523	1.9
86.09688	1.7
87.00830	1.9
91.05477	7.7
93.07051	14.5
95.04977	3.2
95.08606	20.0
95.64177	1.7
96.08987	2.0
97.02896	3.8
97.06538	1.6
99.04446	1.7
105.07046	17.3
106.07343	3.3
107.04976	2.4
107.08592	19.2
108.08961	1.4
109.02905	2.2
109.06551	2.9
109.10152	13.1
111.08061	2.1
117.07039	6.6
119.08588	25.5
120.08949	3.5
121.06498	5.9
121.10133	10.0
122.10574	1.5
123.08109	3.5
123.11682	3.6
125.09613	2.2
127.03924	4.2
127.11220	2.6
129.06996	2.7
131.04907	2.1
131.08589	8.4
132.08925	2.2
133.06516	4.2
133.10138	12.8
134.10521	1.9
135.08060	15.4
135.11700	12.9
137.05959	4.8
137.09615	2.9
141.07019	2.1
142.07843	2.1
143.08644	7.1
143.10670	3.5
144.08873	2.0
145.06490	4.3
145.10149	15.2
146.10474	2.0
147.04375	1.7
147.08067	6.2
147.11668	7.6
148.12041	2.1
149.06046	1.5
149.09637	5.3
149.13269	4.7
151.07550	2.5
155.08539	4.2
156.09297	2.7
157.10123	9.8
159.08051	5.0
159.11734	12.4
160.12100	2.1
161.09660	6.9
161.13252	7.3
163.07487	1.8
167.05635	2.0
167.07065	4.2
167.08508	2.0
169.10159	5.2
170.10863	2.8
171.07935	1.9
171.11696	10.1
172.08617	1.4
173.05977	2.0
173.09612	4.5
173.13266	7.4
175.11214	4.0
175.14850	3.7
176.15387	1.4
181.10138	2.4
183.11691	18.7
185.13271	15.5
187.11116	1.7
187.14824	12.6
188.15182	3.6
189.12747	4.0
189.16490	2.4
195.11594	2.6
197.13263	3.6
199.14804	7.5
201.12834	6.8
201.16394	5.8
202.16803	2.1
203.14320	12.2
203.17917	7.6
204.14713	4.3
205.08629	6.7
205.15816	2.8
209.13321	2.0
211.14790	2.6
213.16328	4.9
215.14337	2.5
217.08652	1.8
217.15921	4.1
221.19069	11.4
223.14810	2.1
225.04353	1.9
225.16393	3.4
227.17915	2.7
229.15918	2.3
241.16003	2.3
243.17392	3.4
251.18054	3.2
265.10641	1.8
342.99503	2.0
355.06918	1.9
359.02676	2.5
403.26633	3.0
405.27731	3.6
407.29263	2.4
421.27408	6.1
424.32632	1.8
425.30344	4.3
429.08887	2.3
433.27356	5.4
439.28561	11.2
450.30765	2.1
451.28378	14.3
455.31531	7.2
456.31815	20.8
457.31091	1.9
468.32129	2.4
469.29544	21.5
470.29694	2.4
485.32553	4.2
486.33078	22.8
487.30518	100.0
488.30859	11.5
503.34006	2.0
504.34134	8.5
505.31787	11.0
588.52252	1.9
683.51782	2.4
684.51703	2.3
685.34387	2.6
685.51581	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	685.341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21707	0.5
67.05510	0.8
70.03343	0.6
73.04748	1.2
79.33307	0.6
81.07062	0.7
90.05025	0.5
91.05804	2.2
95.08588	0.6
105.07085	0.5
159.25981	0.6
180.32739	0.6
203.05336	1.9
218.86989	0.6
225.04391	0.6
258.08142	0.5
258.69537	0.5
259.07898	0.9
290.26498	0.6
305.08475	0.6
347.09723	0.9
350.82635	0.5
358.48804	0.6
365.10556	3.6
421.13235	0.8
430.09366	0.9
523.28796	16.2
524.29266	2.0
685.34021	100.0
686.34180	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	685.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65224	0.5
55.01872	0.7
55.05502	1.1
67.05527	3.1
69.07059	1.4
71.08615	0.8
79.05486	0.9
81.07053	2.5
91.05457	0.8
93.07018	1.3
95.08630	2.1
105.07059	1.2
107.08569	1.2
109.06531	1.4
109.10150	1.0
109.31327	0.7
121.77168	0.8
123.08073	1.4
135.08058	1.2
171.96629	0.6
179.14313	4.6
245.15079	0.9
249.66524	0.7
331.26410	5.7
337.27237	1.1
351.21585	0.9
354.13123	0.7
448.04825	0.7
463.26755	3.9
465.28049	3.7
466.25693	0.8
685.42883	100.0
686.43274	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	685.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.3
57.03440	0.8
61.98373	0.5
67.05510	4.4
69.07069	1.5
73.48216	0.5
73.75163	0.5
76.03395	0.5
79.05502	1.9
81.07072	3.9
93.07044	2.6
95.08610	2.7
100.67509	0.5
107.08588	0.9
109.10183	1.7
119.08583	1.2
121.10211	1.0
123.11678	0.5
124.40556	0.5
125.52076	0.6
135.11688	0.7
188.21564	0.6
218.24489	0.6
221.15311	0.6
253.68739	0.6
335.25781	1.2
351.21448	9.9
407.24197	5.2
626.19055	0.9
685.46460	100.0
686.46765	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	686.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82577	3.2
53.03943	4.7
54.66262	3.2
55.01876	28.3
55.05512	16.2
57.03444	5.6
57.07062	4.3
67.05513	28.0
69.03426	12.7
69.07070	21.6
71.04989	11.1
71.31335	5.2
75.04482	3.5
79.05484	27.8
81.07060	72.1
83.01331	10.2
83.04977	39.9
83.08611	8.4
85.02921	7.1
85.06548	9.8
88.04708	2.8
91.05458	26.3
93.06470	4.8
93.07049	75.9
95.04947	35.6
95.07344	6.9
95.08610	34.2
96.08118	10.4
97.02898	4.7
97.06528	38.4
99.04443	23.6
101.02314	3.7
103.05465	9.2
105.07027	75.3
106.04174	5.6
106.07379	5.2
107.04951	10.0
107.08607	38.1
108.08112	10.1
109.06514	29.7
109.10165	10.7
110.09669	28.6
111.00838	15.5
111.08065	44.8
113.06028	5.3
115.03934	7.4
117.06998	3.7
119.04881	3.7
119.08572	36.9
120.08118	19.5
121.06511	55.1
121.10137	9.4
123.04401	6.7
123.08065	11.5
123.11716	22.6
125.05981	17.5
127.07542	10.7
129.01819	14.5
129.07008	4.8
131.04945	12.3
131.08556	10.9
133.06543	5.8
133.10143	44.5
135.04312	4.4
135.08043	28.2
135.11691	3.2
136.07564	11.1
137.05998	10.2
137.13329	3.1
138.09148	32.8
139.07538	34.9
142.07787	4.4
143.03351	5.0
143.07051	11.2
143.08560	13.1
145.10114	14.1
147.08060	8.8
147.11690	96.7
148.07574	6.1
148.11963	3.9
149.05968	10.9
149.09590	3.8
149.13286	6.8
151.11139	15.3
153.09102	5.4
157.01279	5.8
157.08740	7.3
157.10130	22.8
159.06497	3.2
161.05957	5.1
161.13271	13.8
163.07535	8.9
163.11253	5.4
165.05453	4.1
165.12747	41.0
166.08670	55.5
169.12244	47.8
171.02922	13.7
171.11626	15.1
173.09595	4.9
175.11182	71.9
177.05550	6.1
181.08630	6.3
181.10088	5.5
185.04506	3.3
187.03996	3.3
189.03932	5.3
189.12729	27.3
191.10721	3.4
193.12242	100.0
194.12584	7.6
197.88211	3.3
199.11166	23.0
203.48639	4.0
207.13837	14.6
209.08081	30.0
209.15518	4.9
210.08736	4.0
211.13295	78.2
212.13670	3.5
217.03426	15.2
217.12233	85.2
225.10455	4.8
225.14928	3.5
229.14235	6.1
231.05019	28.8
235.13303	94.5
237.10103	9.7
239.08221	7.0
239.11505	3.7
241.09657	4.5
249.11314	4.1
251.09105	4.6
252.81914	3.7
253.09743	9.3
253.14348	90.2
265.09677	21.1
266.10260	3.6
267.07855	3.2
267.11221	6.1
271.15393	9.1
281.09286	12.1
283.10773	7.3
293.09204	11.0
295.10666	15.9
299.10480	3.8
311.10150	12.8
321.08691	6.4
327.09738	17.1
339.09860	23.8
359.12390	32.2
367.13898	8.6
371.12381	17.6
381.15411	8.8
385.14902	36.3
386.15308	3.7
391.13773	3.7
399.16583	31.5
403.16156	15.6
409.14810	30.4
417.17691	7.9
423.16666	31.4
424.16815	4.8
427.15952	52.7
428.16306	4.6
441.17670	29.9
446.17209	7.8
464.18134	18.1
474.16132	4.0
476.59561	4.0
492.17609	59.3
493.17953	4.7
506.19196	8.0
524.20093	30.5
597.18311	4.5
615.19135	29.6
633.19775	5.7
685.18036	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	686.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
53.03955	0.4
55.01874	0.9
57.03427	0.4
61.02918	0.6
63.28803	0.2
65.03944	0.5
66.04715	0.3
66.88458	0.2
69.03113	0.2
69.03429	1.7
69.59533	0.8
70.06583	0.3
71.05025	0.2
73.02906	0.4
77.03917	0.2
79.05508	0.9
81.03405	0.7
81.07054	0.6
85.02905	5.1
86.09693	0.3
91.03943	0.2
91.05478	3.4
93.03453	0.3
93.07041	0.8
94.04179	1.5
95.04964	0.3
97.02891	1.4
97.89462	0.2
98.97588	0.5
99.04451	0.3
103.05467	2.9
105.03403	0.4
105.07030	2.6
107.04952	0.5
109.02872	0.5
109.06508	1.1
115.05429	1.1
117.07047	1.2
119.04958	4.1
121.06518	1.0
122.03648	3.9
123.04483	1.2
127.03932	0.9
129.06978	0.6
130.04137	0.2
131.04932	5.2
133.06493	2.9
135.04411	0.3
137.05978	100.0
138.06314	2.4
139.07582	0.2
143.04950	0.4
145.05003	1.3
145.06485	3.2
146.03633	0.5
147.04411	17.2
147.11685	0.6
148.04799	0.4
149.05995	3.3
150.06787	0.6
151.03976	0.2
151.07533	0.4
153.13213	0.2
155.04933	0.7
157.06468	0.7
159.04453	0.2
160.05257	0.3
161.05984	17.6
162.06683	1.2
163.06117	0.3
163.07524	3.5
165.05522	1.1
165.06813	0.3
173.05991	8.6
174.06554	0.2
175.07590	1.0
177.05453	0.4
178.07681	0.3
179.07045	2.0
179.08501	0.3
181.06503	0.3
185.05969	2.1
187.07561	0.3
190.07744	0.5
191.06999	1.5
191.08577	3.1
193.08635	1.8
193.10168	0.4
202.07761	0.5
202.70869	0.2
203.07011	1.4
203.08611	2.1
207.06410	0.4
207.08145	0.4
211.07489	0.3
218.07291	0.7
219.08060	4.7
220.08698	0.8
220.50671	0.2
221.06236	0.2
221.07930	0.4
221.09769	0.5
223.07541	0.3
231.08067	2.3
232.08630	0.2
234.06888	0.2
235.07529	0.2
236.08308	0.5
237.09044	2.3
238.06406	0.2
238.09384	0.2
239.06953	0.5
247.07574	2.3
248.08344	0.7
249.09044	1.7
251.06990	0.2
251.07852	0.3
251.10695	4.2
253.08527	0.4
254.09355	0.2
259.07565	1.8
260.08206	0.2
261.09146	0.4
263.10608	0.5
264.07904	0.4
265.08643	2.7
266.09265	0.5
269.08130	0.3
269.11749	0.4
277.08578	3.3
279.10135	2.4
281.08167	0.4
281.11633	0.2
282.08841	0.6
291.10172	1.4
294.08926	0.2
295.09637	0.6
297.11212	18.1
298.11484	1.3
309.11221	7.2
310.11646	0.5
315.12283	3.2
316.12811	0.2
327.12265	8.2
328.12436	0.4
345.13315	1.5
440.65097	0.2
489.17456	0.2
633.06818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
52.77504	0.3
53.03930	0.4
55.01872	0.6
57.03428	0.5
61.02929	0.9
69.03432	1.9
69.42506	1.8
70.06583	2.3
71.04974	0.3
72.08147	0.8
73.02917	0.4
79.05481	1.0
81.03427	0.7
81.07066	0.6
84.08154	0.4
85.02903	5.9
86.09697	1.0
91.03960	0.4
91.05476	5.2
91.41985	0.3
92.05750	0.4
93.03405	0.4
94.04176	1.4
95.04980	0.5
97.02890	1.8
103.05476	2.8
105.03388	0.6
105.07039	2.4
107.04929	0.9
109.02873	0.5
109.06503	1.4
110.91145	0.3
115.05462	1.1
116.07115	0.4
117.07027	1.8
119.04933	6.6
121.06516	0.6
122.03644	3.6
122.97166	0.3
123.04414	0.9
126.70592	0.4
127.03915	1.4
129.06984	0.9
129.10242	0.8
130.04170	0.5
131.04929	8.5
132.05278	0.3
133.06468	2.7
135.04439	0.4
137.05977	100.0
138.06325	2.4
139.03978	0.3
145.05045	1.6
145.06476	4.1
146.03551	0.4
146.06834	0.4
147.04408	27.7
148.04752	0.6
149.05984	1.8
150.06691	0.5
151.07570	1.0
155.04913	1.0
157.06499	0.7
159.04277	0.3
161.05978	20.5
162.06732	2.3
163.07567	4.9
165.06953	0.5
167.07021	1.3
167.08411	0.4
170.91113	0.3
173.05980	11.9
174.06308	0.4
175.07556	0.9
177.05464	0.9
178.07759	0.6
179.07037	1.2
181.06491	0.3
185.05974	3.4
187.07504	0.7
189.07037	0.6
190.07784	1.1
191.06894	0.4
191.08566	5.4
193.10101	0.5
202.07823	1.9
203.06975	2.0
203.08667	2.7
206.07347	0.6
207.08226	0.5
208.08656	0.4
209.09764	0.4
218.07275	1.0
219.08057	7.6
220.08592	1.1
221.06017	0.4
221.09607	1.2
222.06612	0.3
231.08049	4.3
235.07468	0.4
236.08287	0.9
236.36644	0.3
237.09097	3.0
238.09439	0.4
241.08551	0.4
246.06749	0.3
247.07536	3.6
248.08311	1.1
249.09097	2.0
251.06905	0.4
251.10689	7.5
259.07620	2.1
260.08051	0.6
263.10776	0.6
264.07855	0.8
265.08594	4.7
266.09271	0.6
269.11774	0.4
277.05603	0.5
277.08594	6.6
278.09079	0.6
279.10150	5.1
281.08176	0.7
282.08856	0.9
291.10193	1.5
297.11218	39.5
298.11636	2.3
299.12741	0.5
309.11212	15.0
310.11511	1.2
315.12250	1.0
327.12268	8.5
328.12357	0.8
328.54150	0.3
345.13458	0.5
361.26511	0.3
377.54034	0.3
459.16351	0.7
507.44373	0.3
685.43146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03937	1.1
55.01863	1.0
55.05493	0.4
57.03419	1.3
61.02903	1.1
63.23501	0.4
65.03918	0.5
65.80331	0.4
66.04684	0.4
66.85159	0.4
67.05473	0.3
69.03429	4.1
70.06604	2.7
72.08155	3.6
73.02921	0.8
79.05496	1.9
81.03416	1.4
81.07047	0.7
84.08135	2.6
85.02908	11.1
86.09708	2.7
91.05428	3.0
93.03407	0.4
94.04210	1.9
95.04969	0.6
97.02895	3.8
98.23347	0.9
99.04435	1.1
102.04720	0.4
103.05460	7.7
105.03427	0.5
105.07027	6.2
107.04949	1.0
109.02870	0.9
109.06506	1.0
115.05462	2.9
117.07027	1.1
119.04945	3.2
121.02821	0.6
121.06532	0.8
122.03655	4.6
123.04507	0.7
127.03912	2.6
128.06155	0.6
129.06995	1.4
129.10233	1.0
131.04930	16.6
132.05289	0.5
133.06496	7.1
135.04427	0.6
137.05977	100.0
138.06300	3.6
141.07039	0.5
143.04897	0.6
143.11752	0.8
145.04881	1.8
145.06468	4.1
147.04408	14.1
149.05997	2.0
151.03943	0.5
151.07497	1.1
157.06540	1.4
159.08009	0.4
161.05983	49.2
162.06343	2.3
163.07542	15.2
163.08923	0.8
164.07991	0.6
165.07048	0.5
167.07024	4.1
169.06471	0.8
171.11276	0.9
173.05989	7.1
174.06421	0.5
175.07555	1.6
177.05438	0.7
178.07765	0.6
179.07031	1.9
181.06494	0.5
185.05949	3.2
187.07533	3.4
189.06969	0.6
190.07695	0.4
191.07030	0.8
191.08575	2.9
193.08643	1.0
197.06015	1.2
199.07542	0.4
201.05481	0.5
202.07835	1.5
203.06990	1.8
203.08620	3.3
209.06143	0.5
218.07426	0.6
219.08081	4.3
220.08701	1.0
221.06050	0.4
221.09657	1.1
224.42284	0.4
231.08011	4.2
232.08614	0.6
232.42546	0.4
234.06862	0.6
237.09164	2.3
239.07109	0.5
241.07494	0.6
247.07462	2.2
248.08359	1.3
249.09135	2.4
249.11317	0.9
251.06004	1.6
251.10660	4.6
252.06606	1.4
253.08450	0.5
259.07535	2.1
260.08365	0.4
261.09167	0.6
263.10617	0.7
265.08533	3.2
266.09189	0.8
268.06207	0.7
269.06775	3.5
272.16040	0.5
276.08020	0.8
277.08621	7.5
277.11404	0.5
278.09058	0.9
279.10129	2.8
280.11020	0.5
281.11713	0.7
282.08878	0.7
284.09180	5.4
291.10233	1.7
295.09583	0.9
297.11209	22.0
298.11539	1.6
309.11206	14.9
310.11627	1.1
311.12775	8.6
312.13165	0.9
315.12372	1.2
326.10358	0.6
327.12308	6.4
328.11792	22.3
329.12027	1.8
339.12296	0.5
345.13342	0.5
363.12527	0.7
405.13144	0.5
423.14294	0.8
441.15417	0.5
490.17441	0.5
524.18909	3.3
686.24554	13.5
686.43475	3.3
687.25269	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.6
57.03448	3.1
57.07077	35.4
61.02922	11.8
65.29807	2.3
67.05495	11.7
69.01710	16.4
69.07082	5.7
71.08636	30.8
73.02908	4.0
79.12926	1.8
81.07051	14.1
83.08623	8.4
85.02913	12.8
85.10191	17.7
91.03960	14.3
91.05838	2.1
95.08611	21.7
96.79169	2.1
97.02890	7.7
97.10177	8.4
98.22642	4.7
101.08906	1.9
109.10124	9.6
119.74728	2.1
123.11734	5.0
127.03854	4.9
137.13217	2.9
145.04984	7.5
163.06050	11.7
209.36365	2.2
253.25270	24.0
271.26212	4.5
296.38980	2.2
327.28922	100.0
328.29227	7.4
345.30026	26.5
362.14102	2.1
464.16183	2.1
551.98700	2.2
686.37463	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	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.05516	8.7
57.03441	11.6
57.07079	1.4
59.04998	4.0
61.02930	4.5
65.03942	3.0
66.80669	0.9
67.05509	100.0
68.05827	1.8
69.03436	2.2
69.06580	2.9
69.07045	11.7
71.04998	2.7
77.52096	1.0
79.05499	24.6
81.06580	1.9
81.07063	39.2
83.04962	1.0
83.08626	8.3
85.02912	4.0
85.06536	3.1
91.03970	1.4
91.05463	14.7
93.06464	1.9
93.07050	28.3
95.04978	2.2
95.08614	28.2
97.02915	2.7
97.06503	1.1
97.10203	1.4
99.08111	1.0
105.07030	6.5
107.08588	12.1
109.06504	1.1
109.10162	74.3
110.10496	2.3
111.08092	3.3
117.07027	3.0
119.04929	0.9
119.08585	9.4
121.10139	9.0
123.11756	4.8
125.09658	1.8
129.07002	1.5
131.08560	6.3
133.10141	6.1
135.11708	8.3
137.09616	2.7
137.13281	1.4
145.10165	4.8
147.11732	3.8
149.13306	2.9
153.01872	2.7
155.10695	3.7
159.11671	3.7
161.13280	3.7
163.07622	1.2
163.14883	2.0
173.11749	20.2
173.13277	4.5
175.14839	1.4
187.14799	1.8
213.14999	1.4
227.12842	4.0
229.14357	78.1
230.14653	4.9
243.21114	6.0
261.22156	15.6
262.22528	1.4
287.05508	65.6
316.34210	1.0
317.24774	3.6
335.25818	72.5
336.26196	5.4
489.35782	52.2
490.36099	6.6
507.36801	2.4
636.25354	1.6
686.44312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04720	0.4
53.03941	1.1
54.79137	0.4
55.05505	5.0
57.03440	5.7
57.07071	1.1
59.04987	1.5
61.02920	1.6
65.03940	1.1
67.01861	0.6
67.05506	41.6
68.05840	0.7
69.07076	3.5
69.26039	3.7
71.04981	1.4
71.19034	0.4
73.02902	0.6
79.05492	8.9
81.07060	15.1
81.64578	0.4
83.04985	1.0
83.08633	3.1
85.02885	1.2
85.06532	1.3
91.05450	5.6
92.05765	0.5
93.07049	10.4
95.04944	1.0
95.08606	10.1
97.02882	1.3
97.06541	0.7
97.10162	1.3
98.23410	0.8
99.08086	0.6
105.07031	2.4
107.08588	4.9
109.06538	0.5
109.10158	32.5
110.10480	1.0
111.08075	2.1
117.07010	1.3
119.08600	3.7
120.08903	0.8
121.10138	4.2
123.11713	1.6
124.22903	0.5
125.09635	0.4
131.08556	1.7
133.10138	2.5
135.04398	1.1
135.11690	2.5
137.02356	0.5
137.09612	1.5
145.10107	1.9
147.11662	1.2
149.13255	2.0
151.11314	0.5
153.01814	4.3
155.10669	1.9
159.11682	1.8
161.02287	0.6
161.13264	1.0
163.14838	1.6
173.11772	8.8
173.13239	1.4
174.12019	0.5
175.14890	0.7
187.14810	0.6
227.12790	1.9
229.14349	43.3
230.14619	1.5
241.49057	0.5
243.21054	2.2
261.22134	7.6
287.05490	100.0
317.24884	1.1
335.25806	30.0
336.26294	2.3
415.31934	0.7
426.25113	0.5
489.35764	15.0
490.35904	2.0
507.36859	1.5
542.27393	0.5
658.31293	0.5
686.43939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59266	1.1
55.05510	2.3
57.07076	34.2
67.05507	3.0
67.68406	1.2
69.07075	4.9
71.08633	29.5
72.08954	1.0
73.06556	7.9
79.05510	2.1
81.07072	2.6
83.08619	4.3
85.10183	17.3
87.04477	6.4
89.06032	100.0
91.07568	1.4
93.07029	2.0
95.08596	3.0
97.10167	6.8
98.23435	2.9
99.11741	2.8
107.07079	2.5
109.10155	2.0
111.11744	3.9
113.13335	1.7
117.09142	9.3
117.79895	1.2
127.14809	1.4
131.07065	3.2
133.08601	48.3
133.09596	2.4
135.10121	1.8
135.11745	1.5
137.06021	1.3
141.16417	1.8
147.11638	1.8
161.11742	2.1
173.80832	1.5
177.11237	19.3
177.12633	2.0
211.24228	2.1
221.13863	3.6
255.26797	1.6
283.17456	1.1
285.25137	1.1
299.29486	4.8
343.32004	3.3
350.50992	1.2
421.27490	1.3
445.18451	1.6
459.28229	2.7
476.61014	1.2
599.21790	2.8
655.28381	5.0
669.51129	2.4
686.55096	2.7
687.47852	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	687.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00629	0.6
56.96550	0.7
59.12673	0.7
66.44657	0.7
71.30355	0.8
84.08120	0.9
84.70831	0.7
105.15048	0.7
137.05981	3.4
177.01570	1.0
185.04214	1.6
192.03932	12.0
193.04700	5.3
324.08096	1.6
355.09998	100.0
356.10406	8.2
404.50540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
67.05513	4.0
69.07072	3.2
69.28273	1.0
69.28678	2.5
70.06577	0.6
71.04996	0.6
95.04969	7.3
98.97607	0.7
112.07607	20.9
112.99111	0.5
113.06001	4.1
121.10152	0.4
137.32384	0.5
155.07042	0.7
158.99619	0.6
167.02357	0.6
170.99794	0.5
177.00804	0.5
224.12784	3.7
279.03998	1.0
284.14880	2.6
455.10843	2.0
555.28772	0.5
687.29834	100.0
688.30078	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97067	0.9
51.99836	0.9
69.14115	5.4
85.79666	0.9
94.47027	1.1
95.92588	1.1
110.83400	1.0
120.08101	1.8
136.03899	2.4
178.04974	2.2
185.10754	1.0
196.10048	1.7
197.10661	2.4
198.09305	1.1
208.09813	1.6
209.10709	7.3
210.11583	2.9
211.08798	1.5
211.12375	3.1
213.06529	1.5
213.10223	1.6
221.10806	1.5
222.11586	3.0
223.08746	1.2
223.12248	5.7
224.13013	5.8
225.10229	1.5
225.13908	3.8
226.14516	1.3
227.08266	1.3
232.09715	1.3
235.12311	1.9
236.09578	1.3
236.12975	1.7
237.10196	3.5
237.13885	16.6
238.14595	7.4
239.11932	1.6
239.15538	4.5
241.09718	2.3
249.14049	1.0
251.11758	2.9
252.12863	1.2
253.13339	3.7
255.11307	1.5
265.13361	9.8
266.14099	3.4
267.14969	5.2
297.12500	3.2
298.13419	1.5
299.10431	1.4
300.14938	1.8
301.12234	1.7
307.14194	1.3
309.15955	1.4
312.11383	1.2
313.12106	1.4
314.16440	1.4
315.13568	2.9
316.18192	1.5
325.15460	7.9
326.12891	1.4
326.16406	2.3
327.17245	2.0
335.13840	1.1
340.15054	1.2
343.60513	1.0
344.17606	1.6
369.14642	1.3
371.16766	1.0
372.17282	1.8
384.16974	3.2
386.18768	1.1
387.19379	1.5
395.18445	1.3
400.16223	2.0
402.21600	1.3
405.17203	1.7
408.19482	2.3
409.20206	1.4
412.16660	1.8
414.18045	1.7
418.17740	1.4
419.18539	2.8
423.17578	1.4
432.19464	1.7
433.20355	2.3
437.19345	1.6
438.20273	1.1
440.16006	5.9
447.18100	1.2
451.21677	1.9
458.17139	12.2
465.22363	1.2
481.22604	2.8
483.24194	1.4
490.20157	1.7
491.24304	2.0
497.25278	1.9
498.26141	1.2
507.23886	2.8
508.23254	1.2
521.25153	1.6
524.24329	2.7
525.25067	5.4
535.23694	1.3
539.25958	1.8
540.26917	1.6
549.24860	3.2
553.24512	1.9
567.25806	4.0
568.26648	2.7
577.23352	1.2
579.25513	2.1
585.27167	1.6
595.25281	4.7
605.23816	2.4
609.26898	16.4
610.26691	1.8
623.25244	9.2
625.26288	2.2
627.28180	30.3
628.28015	4.3
637.26709	7.0
651.24402	2.1
655.27625	100.0
656.27911	16.1
656.38147	2.1
669.28009	1.6
669.41278	1.5
687.30066	2.5
687.41968	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	687.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81138	0.8
58.31396	0.7
62.33081	0.7
69.41945	4.0
74.32378	0.7
108.08159	1.0
118.06568	0.8
130.06554	1.1
132.08130	0.8
144.08159	1.0
147.11746	0.7
154.06573	0.7
166.08638	0.8
172.07634	1.1
187.08768	0.9
196.09924	1.5
197.10858	1.5
199.08708	1.7
208.09866	2.3
209.10733	6.6
210.11574	3.2
211.08728	1.2
211.12285	3.5
212.13167	0.9
213.06599	1.4
213.10326	0.9
221.10857	2.0
222.11578	2.8
223.08737	3.0
223.12236	6.7
224.09531	0.7
224.13037	5.8
225.06583	0.8
225.10248	1.1
225.13800	4.4
226.14584	1.2
227.08235	1.3
233.10667	0.8
234.11322	0.9
235.08774	1.0
235.12405	2.3
236.13107	1.8
237.10240	3.2
237.11520	0.9
237.13866	15.4
237.16080	1.2
238.11052	1.7
238.12204	0.8
238.14613	9.8
239.15367	5.8
241.09805	2.0
249.10249	1.1
249.14001	0.9
251.02679	0.7
251.08275	0.8
251.11879	2.2
253.09541	1.0
253.13405	3.4
254.14052	0.8
255.07719	1.2
255.11261	1.2
265.13342	12.2
266.14127	4.5
267.12222	0.7
267.14896	4.3
268.15344	1.1
269.09247	1.6
273.12354	1.8
281.09406	0.7
281.12839	0.9
283.10834	0.8
287.14182	1.7
293.12921	1.2
297.12405	3.1
298.13077	0.9
299.15189	0.8
301.15948	1.0
304.14606	0.8
309.12427	1.0
309.15991	1.9
311.10394	1.1
313.15771	1.2
314.16675	1.8
315.13538	3.6
315.17194	0.9
316.14496	1.1
316.18152	0.8
325.15445	9.4
326.12753	0.9
326.16193	2.0
327.13885	1.1
327.17084	4.5
328.14502	1.6
328.18140	1.6
329.11578	0.8
335.13925	1.4
336.14520	1.1
340.14612	0.9
342.12390	0.8
343.13062	1.5
344.13867	0.9
354.15793	0.9
358.15680	1.1
372.17422	1.4
374.18796	1.2
376.16827	1.0
379.15521	1.5
387.19812	1.2
388.20349	1.6
391.15622	1.0
394.18213	1.1
395.18771	2.0
398.81772	0.8
399.15405	0.9
400.16287	0.9
401.16663	1.0
401.21396	1.5
402.21902	1.2
404.23468	1.8
405.17276	1.5
406.18393	0.9
407.19055	0.9
408.19614	1.0
409.20221	1.9
412.17148	1.1
414.18216	1.3
415.18716	0.9
418.18250	0.9
419.18674	2.4
430.20969	0.9
432.19055	1.2
433.20242	1.9
435.17700	1.1
437.19781	2.4
438.20676	1.3
446.17480	0.8
447.17987	0.9
450.20892	1.2
451.21866	1.2
452.22125	1.1
453.22678	0.8
458.17148	1.4
462.20517	1.2
466.20590	1.2
475.21457	1.5
476.20483	0.8
481.22272	3.0
482.23505	2.2
489.30161	1.0
490.22592	2.5
491.23834	2.9
494.19846	1.4
497.25409	3.2
498.26300	1.0
506.22653	0.9
507.24033	4.2
509.22449	1.2
510.22876	1.5
511.23483	1.2
517.22034	1.6
521.25861	1.9
522.25446	1.0
523.23700	1.0
524.24225	1.9
525.24884	8.5
526.25031	1.3
533.22009	0.9
535.23700	2.3
537.23822	0.8
539.26263	2.3
540.27148	1.0
549.25037	2.7
550.24597	1.1
553.24658	1.4
561.24969	1.7
565.24487	1.6
567.25824	4.2
568.26440	2.6
577.24261	1.4
579.25647	2.2
583.25977	0.8
585.26642	0.9
587.22803	2.0
595.25507	4.9
596.25903	1.4
605.24316	2.7
608.23071	1.0
609.26770	15.0
610.26489	3.3
613.26605	1.3
619.23608	1.0
623.24988	7.6
624.24969	1.4
625.26056	1.7
626.24707	1.3
627.28149	35.3
628.28650	4.5
637.26605	7.5
638.27087	1.3
643.28204	0.9
651.24561	1.4
655.27606	100.0
656.27924	17.8
669.26288	1.6
669.41241	1.5
687.29865	3.8
687.42340	3.6
688.43018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90583	1.3
57.76247	1.3
67.05505	1.6
70.25919	1.2
71.30725	1.8
81.07077	2.1
88.31890	1.4
93.07067	1.7
94.06528	1.3
95.08613	1.8
101.26560	1.4
104.02464	1.2
107.08643	1.4
109.10150	1.8
118.06571	2.2
120.08129	3.1
121.10143	1.3
136.03896	3.1
143.07310	1.4
144.08060	1.6
145.74442	1.3
173.06706	1.1
178.05025	1.8
182.09579	1.5
197.10684	1.8
207.09236	2.2
208.09792	1.8
209.10770	2.6
210.11545	2.7
221.10806	2.3
223.12315	3.6
224.13063	2.0
225.13945	3.3
235.08698	1.9
235.12309	2.4
236.12993	1.5
237.10237	2.1
237.13829	5.1
239.15454	1.4
247.12460	1.4
249.10202	2.5
249.13934	1.6
250.10860	1.7
251.11696	2.4
259.12167	1.8
263.08063	1.5
265.13339	1.9
269.12909	1.6
273.13986	2.4
281.12625	1.4
285.13007	1.7
300.14926	2.0
326.12802	1.7
337.11673	1.7
370.15747	1.9
384.17126	2.7
395.96820	1.7
412.16931	3.2
420.19473	1.7
427.15494	2.0
429.16986	2.9
430.17542	1.5
434.19095	1.8
440.15863	5.6
441.16791	2.3
442.17130	1.7
443.18463	2.5
447.18204	2.8
458.17001	9.1
459.22009	2.8
461.20123	2.2
462.20450	11.4
463.21246	4.5
470.17218	4.0
471.18332	2.6
472.18832	2.1
475.17908	4.2
485.19083	2.2
487.21317	5.7
489.20724	1.6
490.20197	6.5
491.20407	9.0
499.21185	4.7
503.20956	3.1
517.22034	6.0
518.19672	5.6
527.20959	5.4
528.21277	1.8
529.21881	3.3
535.23419	1.6
543.23553	5.3
545.21637	4.5
549.24945	4.0
550.22070	3.8
561.25012	21.6
562.24713	4.3
563.22638	3.7
573.21338	4.9
574.21649	2.6
577.24554	10.0
578.24976	2.1
587.22876	34.8
588.23090	5.5
593.27411	5.1
595.25024	5.3
605.23932	100.0
606.24493	16.7
609.26959	1.8
619.25824	19.1
620.25989	2.4
623.24939	6.4
637.26550	38.0
638.26660	4.5
655.27014	5.3
669.28723	3.9
687.41815	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	687.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68243	1.3
51.97277	1.5
67.05499	3.3
81.07071	3.1
93.07060	1.5
95.08607	2.6
107.08630	1.9
119.08575	1.7
229.14587	1.7
235.12396	2.7
236.12894	1.5
237.14082	1.6
238.14616	2.9
239.15466	2.9
249.13768	1.5
261.13721	1.8
276.15009	1.9
287.05481	17.6
314.16370	2.1
318.15662	1.6
326.16525	1.8
352.17438	3.5
365.18048	2.5
366.18488	3.3
367.19156	3.7
379.19601	2.8
381.20779	5.0
383.22363	1.8
387.45569	1.9
395.18729	5.9
396.19556	2.5
405.17325	5.1
407.18573	3.0
409.20245	5.0
410.21091	8.3
411.21921	9.9
412.22519	2.2
420.19925	3.1
421.20566	2.4
422.20938	3.7
423.21844	5.8
425.23111	2.2
433.19989	3.3
437.19803	5.4
437.24344	2.8
439.21130	3.0
447.21609	2.9
448.18842	16.3
449.19620	4.6
451.21307	3.5
452.22189	3.2
453.22931	6.1
454.23450	2.2
461.20044	2.1
464.99741	1.7
465.23444	3.8
467.24979	1.8
467.95187	1.8
468.25558	12.9
469.26495	3.2
475.17844	6.3
477.19519	2.2
478.19458	1.8
479.25058	2.5
480.21298	22.0
481.22296	6.2
483.23569	3.8
494.19632	3.0
496.24533	9.5
497.25696	17.5
498.26266	20.1
499.26105	2.5
506.23331	2.4
507.24368	2.0
508.21689	5.3
509.22787	2.6
511.27838	3.4
512.27942	3.2
521.22491	2.0
524.24213	6.1
525.24866	9.8
526.25049	2.2
534.23010	3.4
535.23248	2.7
539.26593	7.9
540.27472	8.8
548.20630	1.8
552.23254	2.2
553.24341	4.3
563.22498	8.3
566.25244	4.1
567.25977	15.2
568.26770	2.8
580.23364	3.8
584.26367	10.3
585.27283	12.0
594.24896	21.0
595.25311	9.7
599.28564	7.0
609.27087	4.6
612.25757	31.4
613.26440	13.1
623.23834	3.1
627.28223	44.2
628.28571	7.3
637.26666	10.4
655.27649	57.5
656.28033	9.6
687.30078	100.0
687.40540	9.9
688.30505	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	687.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01852	0.5
67.05511	0.5
68.99793	0.4
69.03439	0.3
69.22845	1.8
74.84660	0.2
75.29180	0.2
77.94830	0.2
79.05518	0.2
81.07049	0.5
95.08593	0.5
105.57301	0.2
109.10150	0.6
135.04434	1.5
137.02332	0.3
153.00664	0.4
153.01825	5.0
161.02325	0.7
171.02898	0.6
179.03510	0.3
219.06531	0.3
229.14392	0.4
241.04959	0.5
245.04614	0.3
269.04453	0.4
287.05490	100.0
288.05847	6.8
336.26056	0.2
490.36221	0.3
652.62360	0.3
657.42773	0.2
703.36627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01876	5.9
55.05520	9.5
57.03457	4.7
61.02942	2.8
65.03941	2.4
67.05517	16.5
69.03429	15.5
69.07072	21.5
71.05003	7.3
71.30739	2.5
79.05505	14.2
81.03426	9.9
81.06583	4.4
81.07062	59.1
81.07521	3.9
83.04986	5.3
83.08620	6.0
84.55392	2.3
85.02914	22.3
85.06551	3.6
86.09734	4.1
87.00864	6.6
91.05494	10.7
93.07043	25.3
95.04967	5.3
95.08008	2.4
95.08609	42.6
97.02917	10.6
97.06559	8.0
97.10198	7.4
99.04480	7.7
101.21516	2.4
103.05433	2.5
105.01880	5.6
105.07030	20.6
107.08610	23.4
109.02896	12.1
109.06532	4.2
109.10162	27.0
111.00880	2.6
111.08105	6.7
111.11761	2.7
113.06036	3.7
119.08618	10.0
121.06517	6.8
121.10149	16.5
121.64045	2.0
123.11706	20.7
125.09704	2.9
126.46439	2.5
127.03932	21.1
127.07590	3.2
127.11289	2.9
128.04317	2.7
129.01895	3.0
131.04948	5.1
131.08629	2.6
133.10172	8.2
135.08047	3.6
135.11702	12.8
136.07663	3.1
137.06004	5.4
137.13281	6.7
145.04968	5.2
145.10146	5.3
146.05244	2.3
147.11700	11.3
149.09711	4.4
149.13257	15.3
151.07565	3.1
151.11255	2.4
151.14960	3.0
157.10176	4.0
159.11649	3.6
161.13272	3.1
163.11153	5.4
163.14876	9.3
165.12857	2.3
166.08720	2.2
167.07048	6.7
167.10696	5.4
167.14326	2.3
169.12286	3.5
171.02916	3.8
171.11787	3.0
172.62453	2.2
175.11235	3.0
177.16490	4.3
181.15938	5.2
187.11250	3.2
191.10728	7.9
191.18051	3.1
193.12335	5.2
201.03848	2.9
203.05318	4.2
203.18031	3.1
205.19630	2.8
209.11739	3.1
216.72044	2.8
223.20676	3.6
227.12843	5.4
231.05061	5.7
238.73395	2.2
245.06406	9.8
253.14369	6.7
253.21684	2.5
261.25903	3.4
273.25906	5.2
289.05444	6.3
291.26846	27.0
292.27130	3.0
309.27991	4.8
327.29135	4.3
376.09244	2.6
397.15210	7.2
421.21896	25.6
423.23715	8.8
439.23102	15.8
440.23627	2.9
463.22980	10.1
465.24545	8.5
481.24207	6.8
507.22345	16.7
507.28894	3.2
509.31100	4.0
525.23279	16.3
585.18066	3.3
601.28717	4.3
643.29242	34.2
644.29883	5.4
651.17474	2.8
687.28308	100.0
687.47803	10.6
688.28125	15.8
688.46661	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	688.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57026	0.4
53.03934	1.1
55.01861	1.1
57.03425	0.7
60.04512	0.4
61.02924	0.8
64.45464	0.4
67.05496	0.5
69.03431	2.8
70.06584	1.5
71.04992	0.4
71.31464	0.6
72.08124	0.5
73.02898	0.5
76.45629	0.4
77.75304	0.3
78.04710	2.1
79.05486	3.3
81.03418	3.6
81.07037	0.7
84.08148	0.4
85.02419	0.8
85.02902	8.3
86.09709	1.3
87.00822	1.7
91.05473	2.7
91.05977	0.5
93.07040	1.1
94.06593	0.5
95.04984	1.8
95.08617	0.5
96.08130	0.9
97.02902	3.1
97.66547	0.4
99.04436	1.0
103.05468	9.1
103.30412	0.3
105.01842	0.7
105.07035	5.4
106.04174	1.3
107.04953	6.1
108.04458	0.6
108.08101	0.8
109.02917	1.9
109.06521	0.6
110.09677	1.4
111.04437	1.5
115.05431	1.8
117.07000	1.5
119.04928	1.2
119.08556	0.5
120.08114	1.0
121.06519	3.0
122.03625	0.5
122.06001	1.0
123.04449	5.0
123.08077	0.7
124.05223	2.6
124.07603	4.3
125.05994	0.7
127.03904	2.3
128.06187	0.7
129.07022	1.5
129.71124	0.4
131.04930	30.0
131.08565	1.0
132.05280	0.8
133.06514	5.1
135.04402	0.4
135.08037	0.9
136.07599	1.3
137.05984	12.0
138.06325	1.0
138.09131	1.9
141.06982	0.7
143.04965	0.5
143.08549	0.7
144.05656	0.7
145.04973	1.2
145.06479	2.9
146.05974	1.1
147.04399	9.6
147.08020	1.8
148.07541	0.6
149.06049	1.9
151.03873	1.1
151.07542	5.7
152.04703	2.3
152.07011	0.6
153.05432	1.1
157.06497	0.6
158.07266	1.0
159.02914	0.5
159.08073	1.9
160.03955	0.8
161.05989	7.1
161.09581	0.7
162.06709	0.9
163.07547	35.4
164.07924	1.5
165.09068	0.6
166.08626	3.6
167.07042	100.0
168.07413	2.8
172.03935	2.8
172.05235	0.6
173.06007	1.8
173.09607	0.9
174.05510	0.8
175.07561	5.6
176.08014	0.3
177.05453	1.2
177.09100	2.4
179.07033	3.6
181.08597	6.0
182.07472	0.4
183.08038	0.4
186.06810	0.6
187.07524	3.6
189.09093	0.9
190.04982	5.2
191.06996	0.4
192.07762	0.9
193.08609	25.4
194.08994	0.8
195.10112	0.7
201.09116	1.7
203.06856	0.4
204.06479	2.4
205.08549	2.5
207.10089	1.0
217.08604	1.9
219.10153	2.6
231.08076	0.6
231.10222	0.9
233.11711	2.9
237.11215	3.6
247.09714	0.5
249.11249	1.8
251.12822	2.1
263.10626	0.8
271.09717	0.9
277.10828	0.9
279.11200	0.4
281.11752	0.4
291.10388	0.6
295.13394	0.9
297.12213	1.2
299.09982	0.5
299.12946	0.9
309.11530	0.5
317.13846	5.7
318.14188	0.8
323.09509	0.5
323.13113	1.8
325.11856	7.4
326.12372	0.7
327.16019	0.7
329.11310	1.6
341.11237	0.9
343.12686	0.7
355.15372	12.2
356.15720	1.4
357.13333	0.5
368.29691	0.4
387.18024	12.5
388.18347	0.8
397.16138	0.7
405.19080	26.2
406.19571	2.9
415.17581	0.8
476.17947	1.0
490.71994	0.5
494.19244	12.3
495.19589	1.8
508.20395	0.5
531.22144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74672	0.2
65.03944	1.6
67.05506	17.9
68.05842	0.3
68.99967	1.6
69.03452	0.2
69.07069	13.0
70.06213	0.2
70.06592	3.4
70.07386	0.2
71.04992	1.8
74.21813	0.2
74.32796	0.2
75.20277	0.2
84.04485	0.3
84.08143	0.8
85.06567	0.4
94.06564	0.3
95.04970	35.5
96.05302	0.8
112.07606	100.0
113.06005	20.0
113.07278	0.4
113.07904	1.8
114.06367	0.4
129.12755	0.2
130.08656	0.2
147.08025	0.2
155.07028	2.9
164.55589	0.2
173.08098	0.5
207.10121	0.3
224.12819	15.7
225.11244	0.2
225.13205	0.7
242.13824	0.6
267.12222	0.4
276.00439	0.2
284.14935	12.4
285.15265	0.5
336.18033	3.1
448.99103	0.2
508.25125	0.4
565.77393	0.2
568.27051	0.2
684.67108	0.2
689.40320	0.2
696.13519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68441	0.6
55.05503	2.6
56.05037	6.0
58.06598	1.5
60.04529	17.6
70.06588	2.0
70.46298	1.1
70.46641	1.3
72.08157	29.4
74.06084	6.1
78.53311	0.7
82.35513	0.7
83.06098	3.0
84.04506	67.9
84.08091	1.1
85.02914	0.8
85.04823	0.9
86.09703	3.0
87.05595	2.5
94.06522	0.9
98.09672	1.6
99.05677	0.8
101.07142	68.0
102.05541	9.5
110.09705	1.2
111.05550	1.2
112.03968	39.9
112.07565	0.9
113.07146	1.2
122.06025	5.6
123.05501	0.8
125.07108	1.0
129.06599	42.3
129.10216	1.0
130.05003	12.5
137.05920	1.9
138.09131	0.9
139.05008	1.4
139.08678	1.7
140.07069	5.0
140.08025	1.1
141.06526	1.2
147.07690	0.9
149.07068	1.1
150.05501	12.2
153.06575	6.8
155.11792	1.6
165.06606	1.6
166.09760	4.3
167.08177	20.1
170.09229	2.1
171.15039	1.1
173.12851	5.4
178.05002	1.1
181.06076	3.8
184.10841	3.2
185.09247	3.2
186.08781	0.9
194.07599	1.3
194.09256	14.6
195.07648	25.6
195.09450	1.6
196.08015	1.4
198.08760	4.7
201.12347	2.1
202.11894	1.7
210.08711	0.9
212.10294	40.1
213.08714	3.2
213.10580	1.2
218.09145	1.1
219.07735	1.0
222.08801	1.1
223.07140	1.1
230.11349	1.8
231.17044	2.4
236.10226	2.1
238.15648	0.8
240.09785	33.3
241.10187	1.4
247.07094	0.8
258.10852	7.9
259.19659	0.7
264.09756	6.5
266.14999	1.6
281.12393	1.5
283.17542	0.8
288.09665	0.9
299.13403	1.3
300.19165	1.6
305.12457	2.7
306.06824	0.7
306.10895	2.8
313.14911	2.2
315.12946	6.7
323.13474	8.5
324.11621	1.8
331.16132	2.6
341.14551	100.0
342.14999	4.3
359.15628	28.9
360.16006	1.4
386.20435	1.4
412.22034	3.8
414.19849	2.1
430.22894	2.3
440.21411	82.4
441.21585	6.2
458.22482	22.7
459.22308	1.4
539.28058	2.6
557.29169	4.3
689.28186	1.1
717.93097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75855	1.0
55.05513	2.6
57.06794	2.0
57.07077	32.1
57.35268	0.9
69.07063	3.1
71.08632	24.6
71.33192	1.2
72.08936	1.3
73.06565	9.4
74.63450	1.0
80.48404	0.9
83.08623	1.7
85.10190	17.1
87.04470	12.0
89.06033	100.0
90.06381	1.5
91.07588	2.2
97.10172	4.3
99.11744	3.1
107.07060	2.5
111.11726	2.3
113.13274	2.6
117.09132	7.7
124.86488	1.2
131.07076	2.0
133.08606	48.0
158.67204	0.9
158.68797	1.1
161.11708	2.6
163.70538	0.9
164.98564	1.0
169.19516	3.8
173.99625	1.0
175.09607	2.2
177.11195	18.1
178.92892	1.1
184.07344	2.9
213.22202	2.3
221.13855	4.0
257.24835	7.5
301.27316	3.5
448.23590	1.0
465.86554	1.1
503.30429	1.8
671.48615	1.7
688.51373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54346	0.7
54.60232	0.8
61.53811	0.7
63.33216	0.7
64.38190	0.7
67.41167	0.8
67.72870	0.7
68.74714	0.7
69.41769	5.1
81.07057	0.8
82.16339	0.7
89.06061	0.9
90.45757	0.7
94.15704	0.8
98.22591	1.6
142.53369	0.8
154.91730	0.8
242.83655	0.8
265.05994	0.8
318.08081	0.9
384.12076	3.9
385.13223	6.0
386.13718	1.9
387.14871	1.2
397.13162	2.2
398.13760	11.7
399.14496	17.0
400.15500	27.5
401.16089	3.2
410.13562	1.2
411.14639	3.5
412.15247	10.3
413.16095	23.1
414.16901	14.6
415.17261	1.7
416.14859	2.5
418.17529	3.8
424.15463	1.5
425.16116	2.8
426.17398	4.3
427.13431	3.4
427.18420	14.7
428.18552	21.6
429.19443	14.3
430.16400	1.0
438.16489	1.1
439.18149	1.3
440.14209	1.5
441.14963	8.0
442.16199	14.6
443.16940	1.6
444.14255	2.7
445.18842	1.3
446.16855	1.4
447.20554	1.3
453.15509	1.1
454.15982	1.3
455.17166	42.9
456.17682	22.3
457.14691	2.6
457.18433	3.1
458.15601	5.9
459.16504	9.1
460.16998	4.1
463.00027	0.9
466.13132	0.8
468.18079	0.8
469.15109	3.3
470.20718	1.0
471.16867	3.2
472.17310	3.6
473.18024	2.4
480.14404	1.2
481.15033	2.5
482.15710	1.7
483.16614	37.8
484.16690	11.1
485.14478	1.4
486.18921	2.3
487.16373	5.1
488.16513	2.9
495.16357	3.0
496.17456	2.2
499.16083	9.8
500.16397	1.7
501.17072	2.3
509.14896	1.4
511.20212	4.1
512.20459	0.9
513.13727	2.0
515.19208	3.3
516.19897	1.6
523.15918	2.1
524.16705	1.4
527.15558	27.6
528.15906	16.9
529.15833	1.6
537.17346	2.2
538.18170	1.0
539.19458	10.9
540.18665	1.2
542.21503	1.1
543.22491	25.8
544.22644	4.1
555.18640	1.6
569.20392	1.2
570.20624	1.2
571.21906	100.0
572.22174	17.5
574.24310	10.8
575.24524	2.6
586.20325	1.7
587.21167	2.9
601.22986	13.1
602.23718	56.2
603.23877	9.8
615.20972	7.3
617.25446	4.2
629.22424	43.0
630.22809	56.9
631.22980	8.8
633.25250	2.7
643.23676	2.2
657.21942	61.9
658.22186	12.1
661.24908	7.6
689.24567	25.1
689.41992	1.7
690.25140	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	689.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	0.5
69.17537	3.6
81.07033	0.5
90.14339	0.4
93.07056	0.6
98.23351	1.0
107.08629	0.5
119.08571	0.5
130.24677	0.4
131.73502	0.4
145.81119	0.4
195.16724	0.4
384.12170	1.1
385.14078	1.4
397.12701	2.3
398.13818	7.2
399.14597	5.1
400.16437	7.4
401.16718	1.0
403.15668	0.6
410.14035	0.9
411.14511	2.2
412.15283	8.4
413.16153	12.6
414.16626	3.1
416.14911	2.4
417.15402	0.5
418.17694	3.1
423.14542	0.8
424.15628	0.6
425.11783	0.9
425.16666	1.1
426.11978	0.7
426.17416	2.8
427.12946	0.9
427.17853	10.4
428.18677	13.5
429.11493	0.5
429.19598	3.1
430.16623	1.3
437.16302	0.6
438.17209	0.7
439.13666	0.5
440.15042	1.8
441.15115	4.4
443.13715	1.9
444.14105	1.7
445.18845	1.5
446.17328	1.8
455.17172	44.3
456.17703	11.0
457.14264	3.0
458.15872	8.5
459.16589	6.5
460.17166	1.5
468.18875	0.6
469.14441	2.6
470.15906	1.3
471.16537	3.6
472.17380	2.8
473.18021	1.9
477.17294	0.6
479.13434	1.0
483.16635	35.5
484.16965	7.8
485.14371	0.7
485.17914	0.5
486.19296	2.6
487.20715	7.3
488.20862	0.7
495.16724	1.4
497.18097	1.1
499.16232	0.9
500.17157	0.9
501.17233	2.1
509.18094	0.6
512.13501	0.8
513.17493	0.7
514.18146	0.8
515.19183	4.7
516.20020	2.2
523.16266	2.6
524.16510	0.7
527.15131	6.6
528.16132	1.3
537.17444	1.1
538.17938	1.2
541.20728	0.5
542.20953	0.6
555.18671	3.7
559.21411	0.6
569.20612	2.2
570.20709	3.2
571.21381	1.2
573.23993	0.7
574.24207	12.8
575.25031	2.2
587.21240	2.5
588.21704	0.6
597.19830	0.6
601.22955	8.9
602.23712	100.0
603.24023	16.9
603.33978	0.6
612.22760	0.9
629.22443	21.2
630.22852	5.5
633.25623	3.8
634.25562	0.9
643.23987	4.3
644.24139	1.1
657.21765	15.1
658.22247	2.4
661.25140	4.1
662.25433	0.9
688.43274	1.0
689.24725	4.0
689.43079	2.0
690.25140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11654	0.3
55.01861	0.3
62.56614	0.3
65.03943	0.4
67.05527	0.2
69.03438	0.5
70.06609	0.9
70.28154	0.6
72.08134	0.3
83.04969	0.6
84.08163	0.4
85.02885	0.3
86.09727	0.8
93.03408	0.4
95.04982	0.7
101.73134	0.3
107.04986	0.5
111.04449	0.9
137.05995	0.8
138.06308	0.3
139.03963	0.4
147.04478	0.4
149.06004	0.5
157.04950	0.3
159.04280	0.3
161.06010	0.6
167.07054	0.5
177.05493	0.6
181.05005	0.6
182.05312	0.3
185.04248	1.7
202.09979	0.3
203.05612	0.3
327.92139	0.3
335.09039	0.5
337.10843	0.5
348.09802	0.7
349.10568	0.7
365.09720	0.3
367.11716	0.8
447.11749	0.8
499.15793	3.5
500.16147	0.3
511.15814	4.4
512.16644	0.5
518.67096	0.3
529.16864	9.7
529.24634	0.6
530.17236	1.4
661.20923	0.4
673.21368	0.4
691.22046	100.0
692.22394	12.6
692.34454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43449	4.5
69.43858	12.9
78.06873	2.4
84.08173	3.7
130.61385	2.7
267.99869	2.6
268.91010	3.3
337.04614	2.8
443.17343	4.2
454.16348	3.3
484.13495	5.2
498.15457	4.2
499.15799	4.9
511.15872	3.4
512.17163	4.7
513.17639	9.5
525.17053	3.3
545.23785	3.3
555.18024	3.6
573.23395	3.7
600.22406	4.3
601.22900	10.6
674.35803	3.1
691.26093	100.0
691.37689	5.7
692.26678	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	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15964	0.6
56.90053	0.9
58.61998	0.7
69.07076	0.9
69.14896	1.4
69.15304	4.2
75.55170	0.8
79.05520	1.6
81.07076	2.1
91.05486	0.9
93.07043	1.7
95.08594	1.1
105.07059	1.3
107.39236	0.7
115.80812	0.7
119.08608	1.2
121.10178	1.3
133.10100	0.9
135.11691	0.7
147.11713	0.7
162.54630	0.7
219.17404	1.3
259.20551	1.1
314.97983	0.7
349.23911	1.7
351.25458	2.1
400.15350	1.5
428.14301	1.0
429.15796	2.2
430.16492	3.2
431.17279	1.9
441.19562	1.0
442.16910	0.8
443.16977	3.7
444.18008	1.1
445.18872	1.3
454.16403	1.0
455.13422	1.1
456.13705	1.3
457.19162	5.0
458.19537	2.7
459.20334	2.7
467.17444	0.9
470.16299	0.8
471.16315	0.9
472.13443	0.9
473.18558	1.0
484.13983	3.1
485.18402	2.2
486.19357	0.9
497.18265	3.1
498.15213	1.8
499.16107	3.2
501.17834	1.0
502.18677	1.8
509.19104	0.8
511.16287	2.0
511.34152	0.9
512.17108	2.4
513.17932	4.7
514.18573	2.9
515.19696	0.7
523.15802	1.8
525.17816	5.3
525.25116	0.8
526.18146	0.9
527.18732	1.8
529.18323	0.9
539.15704	1.2
545.23871	1.9
555.20697	1.1
571.19092	0.8
573.23267	2.7
585.19452	1.3
600.22192	4.3
601.22949	10.1
602.22388	2.3
615.24921	1.0
616.22345	0.8
617.22479	1.9
631.23969	1.0
632.24750	1.5
633.22955	0.9
659.23407	1.1
676.23553	2.1
691.26141	100.0
691.39453	7.3
692.26471	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03762	1.3
67.05501	3.0
69.07066	2.0
70.46687	3.8
70.47073	1.3
79.05471	2.1
81.07043	2.2
91.05508	1.8
95.04894	1.5
105.07066	1.2
106.76495	1.3
107.08574	1.6
139.53052	1.4
163.03877	8.0
191.12529	1.2
207.45203	1.5
224.79358	1.3
499.21268	2.2
513.19012	22.4
514.19617	4.6
519.67102	1.5
527.21326	3.9
541.19836	1.4
555.12140	1.6
555.20459	6.0
557.21558	1.7
573.20905	7.2
574.20300	1.4
600.23474	9.2
601.24005	11.9
611.22705	2.3
627.21625	1.9
631.25696	1.8
659.24774	57.3
660.25464	69.2
661.26294	28.2
662.26202	2.8
691.27441	100.0
692.27576	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	691.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
57.07104	2.8
58.86850	2.3
60.77448	2.0
63.44294	2.1
65.01722	2.6
67.05523	7.4
71.31458	3.0
79.05486	4.3
81.03421	2.7
81.07077	6.5
87.44422	2.6
91.05462	2.8
93.07063	4.0
95.08616	3.1
105.07028	5.1
107.08564	3.3
117.22541	2.4
119.08625	2.4
121.67730	2.2
123.11791	2.3
125.09629	2.2
129.18512	2.5
133.10182	4.1
145.10109	2.8
147.11708	2.8
161.81517	2.5
214.93555	2.6
221.93311	2.4
513.19012	20.4
514.19885	7.9
555.19983	4.3
573.21289	9.0
600.23260	13.9
601.24091	11.7
611.22784	3.4
659.24713	42.4
660.25507	75.7
661.26123	26.0
691.27332	100.0
691.39789	3.2
692.27362	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	691.3872
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
60.16945	0.2
64.04959	0.2
69.98502	0.7
78.78069	0.2
96.23048	0.3
118.96673	0.2
123.65312	0.3
175.77728	0.2
185.04268	0.7
198.29396	0.2
203.05278	0.3
204.77742	0.2
259.07962	0.5
327.25974	0.3
347.09506	1.2
367.28049	0.3
529.33441	24.7
530.33923	2.7
691.38690	100.0
692.39020	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	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75379	0.5
55.05515	1.3
57.03438	2.2
61.02931	5.6
65.03935	0.7
67.05508	8.2
69.03442	2.5
69.07072	0.9
69.24812	0.9
69.25214	2.7
70.38110	0.5
71.04987	0.9
73.02915	3.6
76.51271	0.5
79.05492	3.1
81.03432	2.1
81.07057	3.6
83.04980	0.8
83.08607	0.7
85.02908	5.3
91.03970	2.4
91.05505	1.8
93.07057	3.7
95.04952	0.5
95.08604	3.7
97.02906	3.9
98.23384	1.1
99.04461	0.7
101.02393	2.9
105.07030	1.1
107.08599	1.7
109.10157	7.9
114.62051	0.5
119.08605	1.2
119.91467	0.5
121.10143	1.3
123.11682	0.5
127.03939	1.4
127.62723	0.5
131.08591	1.0
135.11758	0.8
155.10629	0.5
168.53307	0.5
173.11801	1.5
185.04239	0.9
186.22760	0.6
229.14362	0.7
243.08458	1.4
413.17838	9.7
414.17545	0.7
519.29358	5.6
578.29633	0.6
691.40259	100.0
692.40686	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48426	0.2
53.03954	0.5
55.01872	0.5
55.05520	1.4
57.03447	1.6
57.07074	0.4
61.02929	5.4
63.29138	0.3
65.03965	0.3
67.05510	7.0
69.03428	3.0
69.07068	1.1
71.04997	0.5
73.02926	3.8
79.05501	2.5
81.03418	1.6
81.07059	4.6
83.08631	0.6
85.02909	5.5
87.04479	0.5
91.03958	4.0
91.05482	1.8
93.07040	2.4
95.08629	3.2
97.02900	5.0
98.23442	0.5
99.04474	0.7
101.02374	2.0
103.03976	0.3
105.07065	0.7
107.08598	1.9
109.02864	0.9
109.10163	4.4
109.10889	0.4
111.08117	0.5
115.03936	0.5
119.08601	1.2
121.10147	1.4
123.11758	0.3
127.03947	1.5
131.08569	0.6
133.10164	0.6
135.11705	0.9
145.10162	0.6
147.04462	0.5
147.11723	0.3
149.13245	0.4
155.10666	0.3
159.11668	0.4
161.93422	0.3
171.32431	0.3
173.11786	0.9
185.04285	0.5
188.47491	0.3
193.35699	0.3
195.09944	1.0
203.05325	0.4
205.63736	0.4
227.91672	0.3
229.14339	0.5
243.08398	1.9
259.17065	0.4
295.24753	0.3
311.03638	0.3
311.40018	0.3
330.51559	0.3
335.25900	0.8
413.17865	4.7
414.18411	0.4
466.10944	0.3
512.43323	0.5
519.29358	9.0
520.29718	0.9
667.01715	0.4
691.40277	100.0
692.40607	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	691.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00103	0.8
53.03951	2.4
55.01867	2.5
55.05508	15.0
57.03442	3.8
57.07077	1.3
61.02928	2.5
65.03941	1.9
67.05505	15.0
69.03430	13.7
69.07060	6.4
71.01344	2.1
71.04993	10.0
71.30647	1.6
73.02925	1.1
75.04503	1.5
77.03972	0.9
79.05487	10.3
81.03411	5.9
81.07057	18.3
83.04980	78.6
83.08623	2.2
84.05318	1.2
85.02906	95.2
85.06530	1.3
86.03224	1.0
87.04474	2.0
90.51314	0.9
91.05480	14.7
93.07042	16.0
95.04970	12.2
95.08609	35.9
97.02885	1.5
97.06544	4.1
97.10164	1.9
99.04453	3.6
101.06054	2.4
103.03965	1.0
103.05455	1.6
105.07036	25.4
106.07367	1.3
107.08598	20.1
107.09274	1.6
108.08924	1.2
109.02897	3.2
109.06528	3.6
109.10155	11.9
109.10814	1.0
111.00788	2.2
111.04445	47.7
111.08142	1.8
113.06020	2.7
115.05466	2.7
117.07002	7.3
119.08583	43.3
120.08919	1.2
121.06521	4.3
121.10135	12.9
123.08078	5.7
123.11716	3.3
125.09630	1.6
127.03900	10.0
128.06245	3.3
129.05498	17.1
129.07028	6.2
130.07822	1.8
131.08574	23.2
132.08902	1.6
133.06458	1.7
133.10132	21.2
135.08066	5.1
135.11691	6.3
137.05971	1.3
137.09624	2.7
137.13301	1.3
141.06961	1.4
142.07779	3.7
143.08566	13.5
144.09344	1.1
145.04964	1.2
145.10124	33.1
145.11261	1.8
146.10443	1.5
147.08069	7.5
147.11694	12.4
149.09644	4.7
149.13287	3.8
151.11186	1.3
153.07071	1.1
155.08553	3.4
156.09344	1.5
157.10117	14.2
158.10825	2.1
159.08092	2.0
159.11693	19.4
160.12036	1.2
161.09633	7.0
161.13242	12.1
163.07399	1.2
163.11191	2.4
163.14809	5.2
165.09119	1.0
167.08508	1.3
168.09332	1.1
169.10124	6.2
170.10889	1.5
171.06526	100.0
171.11652	9.1
172.06929	2.3
173.08122	1.8
173.09601	1.9
173.13257	14.7
175.11226	2.0
175.14828	9.6
177.12660	2.4
177.16420	2.5
179.14346	1.9
181.10104	1.7
182.10991	1.5
183.11685	5.9
184.12381	1.6
185.09641	1.4
185.13237	8.7
187.11230	1.9
187.14821	39.0
188.15208	2.8
189.07588	48.1
189.12758	6.1
189.16374	9.8
190.07994	1.9
191.10745	1.1
191.14326	4.7
195.11673	1.4
197.13275	5.0
198.13683	1.2
199.14812	8.4
201.12595	2.0
201.16394	18.3
203.14317	27.5
203.18028	2.6
204.14709	1.4
205.15919	7.0
207.11703	1.2
207.13737	1.0
209.13240	1.5
211.14848	3.8
213.12660	1.0
213.16370	8.9
215.14311	5.6
215.18005	3.4
217.15874	7.0
217.19313	1.5
219.13780	1.0
219.17488	2.7
221.15433	1.9
223.14822	1.8
225.16409	2.4
227.14299	1.7
227.17958	3.4
229.15910	5.9
229.19556	2.6
231.13858	1.3
231.17523	2.8
232.17780	0.9
233.15411	2.5
237.16458	1.3
239.17975	2.7
241.15849	1.6
241.19652	1.7
243.17549	1.5
245.15450	1.8
247.16940	4.1
253.19505	2.1
255.21219	1.6
257.19125	1.5
259.17056	1.8
265.19608	1.2
267.21103	1.6
275.04099	1.7
287.05484	1.1
354.34735	1.2
365.28494	1.0
380.01517	0.9
385.28995	1.5
391.29926	4.1
393.32001	1.6
401.06647	1.0
402.07440	1.2
403.29895	4.7
404.30453	1.0
405.31653	2.4
409.31064	1.4
419.08008	1.5
419.29471	2.2
420.08569	1.2
421.31030	6.8
423.32672	2.6
431.29211	2.8
437.30295	4.5
439.31973	3.8
449.30380	6.9
455.31531	42.4
456.31747	5.2
467.31647	11.8
468.31436	1.6
485.25562	1.1
485.32614	21.2
486.32852	2.7
496.34064	1.3
503.33740	4.9
511.32428	4.2
513.32397	2.3
527.33691	2.2
529.33508	1.3
595.35925	1.8
643.38519	5.7
655.38318	1.8
673.39111	1.9
691.39050	27.8
692.39154	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17807	1.9
53.03945	3.3
55.01869	2.0
55.05515	16.8
55.36550	1.9
57.03426	3.9
57.07066	2.4
59.31036	1.7
61.02935	2.3
63.26559	1.7
65.03959	2.3
67.05508	21.8
69.03432	19.3
69.07072	11.1
69.23657	14.8
71.04998	17.0
79.05495	19.6
81.03413	8.4
81.07067	32.0
81.97356	1.6
83.04989	58.2
83.08611	5.0
85.02905	51.7
85.66484	1.7
87.04475	4.1
91.05478	24.7
93.07047	34.6
95.04978	27.2
95.08615	64.2
96.08923	2.2
97.06536	5.1
99.04456	5.9
100.12973	2.0
101.06000	2.4
103.05442	3.2
105.07030	48.0
107.08601	34.3
109.06524	7.1
109.10137	20.1
111.04449	67.1
111.08091	3.0
113.06028	8.3
115.05449	2.0
117.05492	2.1
117.07029	13.0
119.08578	82.7
120.08949	3.3
121.06495	10.3
121.10123	24.6
123.08094	6.2
123.11734	4.2
127.03911	4.7
128.06187	3.7
129.05476	26.6
129.06975	8.7
131.08574	41.4
133.06458	1.9
133.10133	33.4
135.08073	8.1
135.11661	12.7
136.94794	1.8
137.09631	9.8
139.07608	2.6
142.07784	4.3
143.08578	24.2
144.09315	2.8
145.10126	59.6
146.10492	2.6
147.08028	9.6
147.11679	21.6
149.09644	7.8
149.13255	8.8
155.08571	8.0
156.09337	3.8
157.10120	23.2
158.10907	2.4
159.08023	5.0
159.11702	32.0
161.09573	9.5
161.13263	18.5
163.11189	2.4
163.14835	7.7
165.09067	3.1
167.08630	2.0
169.10100	11.4
170.10916	5.3
171.06531	53.9
171.07993	3.4
171.11719	17.7
172.06831	2.4
173.08151	2.9
173.09598	2.6
173.13272	23.7
175.11194	6.8
175.14804	16.8
177.12752	2.9
177.16335	5.9
179.14253	2.6
181.09990	2.4
183.11710	8.1
185.13258	16.4
187.11223	2.4
187.14815	77.9
188.15228	4.5
189.07596	46.4
189.08943	1.7
189.12798	11.2
189.16360	14.2
191.14328	6.4
193.32658	2.0
195.11732	2.8
197.13287	8.3
199.14807	19.5
201.16394	27.0
203.14330	60.0
203.18005	5.8
204.14610	4.9
205.15883	11.4
206.16316	2.1
209.13287	2.2
211.14864	6.2
213.16356	17.3
215.14368	11.3
215.17935	6.9
217.12256	2.3
217.15823	18.3
219.17506	4.3
221.15350	3.0
223.14789	2.3
225.16455	4.4
227.17960	6.3
229.15898	9.7
231.17416	8.5
233.15448	3.7
237.16423	3.0
239.17834	3.2
241.19431	2.6
245.15492	3.4
247.16956	6.6
249.14713	1.9
251.18042	2.6
253.19612	3.5
257.19028	3.9
267.21014	3.0
281.22522	2.6
325.25232	2.2
385.28979	2.6
391.29999	3.8
403.30072	11.2
405.31754	4.8
409.30737	2.5
419.29343	3.9
421.31000	10.9
423.32614	4.3
431.29214	4.2
437.30536	5.3
439.32013	5.3
449.30298	12.1
450.30692	3.4
455.31583	100.0
456.31909	14.1
467.31482	26.2
485.32672	55.0
486.32706	6.0
496.33502	1.9
503.33704	11.4
504.33966	2.6
513.31744	2.6
527.33545	2.5
595.36389	3.5
653.01086	1.9
673.39191	2.4
691.28180	1.9
691.39471	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	691.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01829	0.8
52.03294	0.7
53.03954	1.3
55.05515	8.6
56.56384	0.7
57.03451	2.8
60.08551	0.9
61.17453	0.7
65.03931	1.0
67.05505	10.2
69.03436	8.4
69.07080	4.8
69.72224	3.1
71.04986	7.1
79.05489	7.0
81.03429	3.7
81.07056	15.3
82.07374	0.8
83.04984	29.2
83.08636	2.3
85.02910	21.8
85.06596	1.1
87.04494	1.4
91.05482	10.5
93.07043	17.0
94.14991	0.8
95.04976	10.1
95.08608	32.6
96.08973	1.0
97.06549	2.8
98.23376	1.0
99.04478	3.3
101.06042	0.9
103.05509	1.1
103.41411	1.0
105.07034	24.1
107.04977	1.2
107.08596	18.3
107.09272	1.2
109.06528	4.3
109.10150	10.5
111.04444	28.6
111.05187	1.4
111.08092	1.8
113.06043	3.0
117.06996	5.3
119.08583	33.7
121.06544	3.7
121.10137	13.3
123.08066	4.0
123.11734	2.4
125.06033	1.2
127.03949	2.0
128.06250	2.3
129.05472	13.1
129.06989	4.4
129.07899	0.8
131.08563	16.3
133.10133	15.7
135.08076	3.6
135.11703	6.4
137.09647	3.7
137.13187	0.8
141.06981	1.1
142.07813	2.7
143.08588	9.3
144.09450	0.9
145.10121	25.4
146.10483	1.2
147.08096	5.0
147.11670	10.8
149.09653	3.5
149.13258	4.4
151.11206	1.4
153.05499	0.9
155.08600	3.1
156.09348	1.6
157.10103	11.3
159.08096	1.7
159.11685	18.1
161.09604	4.8
161.13278	7.5
163.07556	0.9
163.11229	2.0
163.14861	3.4
169.10146	4.4
170.10896	1.9
171.06526	27.1
171.07928	2.0
171.11682	7.9
172.06903	0.8
173.08199	1.7
173.09700	2.5
173.13274	13.0
174.10553	0.9
175.11226	2.6
175.14839	11.2
177.12801	1.6
177.16420	2.7
179.14305	1.2
181.10141	0.8
182.10852	0.9
183.11717	4.4
185.13258	6.0
187.14827	35.7
188.15234	1.2
189.07581	21.2
189.09117	1.8
189.12732	5.7
189.16377	7.3
191.14427	3.2
193.12242	1.2
195.11702	1.8
197.13297	4.3
199.14796	9.6
201.12830	2.3
201.16383	13.7
203.05295	4.2
203.14316	26.5
203.17967	2.1
204.14789	1.0
205.15912	6.5
209.13255	1.4
211.14886	2.8
213.16383	9.4
215.14372	4.3
215.18077	2.5
217.15926	7.5
219.13948	1.1
219.17494	1.7
223.14874	1.6
225.16429	2.4
227.14339	1.2
227.18022	2.4
229.15886	5.1
229.19577	1.0
231.17378	4.4
232.20161	1.3
233.15451	3.1
237.16406	2.3
239.18015	2.4
241.19563	1.5
245.15486	2.4
245.19160	1.1
247.16951	3.9
253.19521	1.0
255.17542	1.0
267.21182	1.2
287.05569	0.9
365.28302	1.2
375.30392	0.9
385.28769	1.7
391.30042	2.7
393.31729	1.9
403.29990	5.6
405.31860	2.1
419.29517	2.3
421.31113	6.3
422.31656	1.2
423.32767	1.9
431.29520	2.4
437.30725	2.5
439.32101	2.3
449.30261	6.4
455.31586	47.6
456.31918	5.9
467.31488	10.8
468.32117	2.2
485.32596	26.5
486.33252	2.3
503.33679	5.1
511.32419	41.0
512.32654	5.9
513.32843	1.7
595.36035	1.5
655.38647	1.4
673.39233	1.1
691.38782	100.0
692.39063	18.0
692.50336	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.6
55.01873	43.8
55.05521	14.3
57.03436	8.1
57.07100	3.3
61.02926	24.7
67.05509	29.8
69.03439	5.8
69.07070	21.8
73.02921	12.4
73.94285	2.5
79.05499	27.2
81.03414	6.8
81.07059	38.0
83.04989	10.4
83.08628	8.1
85.02901	28.2
85.06557	2.9
91.03958	22.8
91.05484	39.0
93.07045	37.1
95.04964	7.2
95.08607	26.6
97.02901	9.3
97.06534	55.7
97.10184	2.8
105.07043	35.9
107.08582	21.1
109.06531	6.9
109.10174	12.4
117.07025	11.4
119.08600	26.5
121.10149	18.8
123.08083	4.1
125.09658	7.3
127.03928	9.7
129.07034	9.6
131.08604	12.6
133.10130	24.6
135.11717	12.3
137.09619	3.7
137.13287	2.5
143.08528	3.7
145.04987	8.5
145.10127	11.6
147.11697	32.0
149.09650	3.3
149.13309	8.0
151.11203	5.8
157.10081	3.9
159.11613	14.0
161.13252	12.3
163.06017	16.2
163.11180	5.7
165.12769	11.8
171.11772	7.4
173.13266	6.6
175.14781	6.7
185.13275	3.9
189.12816	4.1
199.14856	7.1
207.13866	3.7
211.60275	2.6
231.21104	4.0
233.19370	2.7
241.19534	8.4
249.22137	6.4
257.31183	2.5
259.20560	23.8
277.21603	56.8
278.21973	5.9
295.22620	2.9
314.76584	2.8
333.24216	4.6
351.25272	100.0
352.25720	6.3
393.26340	2.7
417.26355	5.0
447.41577	2.6
459.27576	4.3
495.29544	5.7
608.00098	2.7
640.14111	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	693.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.1
67.01850	0.4
67.05502	0.2
68.99798	0.3
79.05490	0.2
81.03443	0.1
81.07037	0.2
85.02921	0.1
85.38181	0.1
86.54727	0.1
91.05482	0.4
93.07030	0.2
95.08572	0.1
97.02876	0.1
98.23362	0.3
98.84132	0.1
119.04945	1.4
121.00027	0.1
121.02863	0.6
129.01842	0.1
145.02808	0.7
153.01819	4.1
155.97424	0.1
163.03931	0.4
171.02885	0.7
203.07106	0.2
225.05510	0.3
228.78790	0.1
229.04903	0.3
243.06612	0.3
247.06116	0.1
271.05997	100.0
272.06332	5.6
272.08685	0.1
693.32001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03669	0.9
71.32405	1.0
131.50334	0.9
167.28732	0.8
193.05064	1.3
236.56717	0.9
239.40321	0.9
693.34576	100.0
694.34875	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	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05520	9.1
57.03442	4.0
57.07085	5.5
61.02931	30.8
61.97591	1.3
67.05509	61.0
69.03442	4.5
69.07077	11.1
69.12784	10.3
71.04987	2.1
73.02923	9.9
75.58893	1.1
79.05494	38.6
81.03426	3.7
81.07061	69.6
83.08632	8.4
84.45544	1.3
85.02906	31.9
85.06554	2.3
91.03966	30.9
91.05481	23.2
93.07050	50.6
93.07623	2.9
93.56453	1.4
94.07417	1.5
95.04973	2.4
95.08610	59.0
97.02902	15.5
97.06537	3.1
97.10175	3.2
99.04494	1.3
99.08066	2.0
105.07040	14.7
107.08597	32.9
108.08887	1.6
109.06636	1.3
109.10161	30.3
111.08104	2.6
115.03961	2.1
117.07026	11.1
119.08592	16.1
121.10145	33.3
122.10487	2.6
123.08128	1.5
123.11714	17.0
127.03923	11.1
127.82302	1.4
131.08583	17.6
133.10143	13.8
135.11702	25.6
137.09608	2.0
137.13260	7.1
139.11206	3.1
145.04961	14.8
145.10129	16.9
147.11684	12.6
149.13261	22.4
151.14827	1.8
153.12860	1.4
159.11726	14.7
161.13277	13.7
162.04214	1.2
163.06035	26.2
163.14836	15.6
165.12776	3.4
173.13295	14.0
175.14886	3.9
177.12759	2.8
177.16495	6.3
179.14326	4.8
187.14809	10.9
191.14270	1.9
201.16505	3.5
205.16006	2.7
233.22746	3.8
243.21089	37.5
244.21471	4.1
261.22156	100.0
262.22559	8.0
279.23145	3.2
285.91614	1.3
327.36633	1.4
335.25775	17.3
336.26294	1.5
353.26874	49.6
354.27283	5.6
452.57776	1.4
465.76654	1.5
517.41162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01871	5.3
55.05520	24.9
57.03433	11.7
57.07058	3.8
59.05016	2.0
65.03947	4.4
67.05505	86.0
67.32830	1.9
69.07072	23.7
69.17072	15.2
71.04997	16.9
79.05495	64.7
80.05818	2.6
81.03436	3.7
81.07058	98.0
82.07390	2.1
83.05001	6.5
83.08618	12.1
83.75977	1.8
85.06552	3.3
91.05482	55.0
93.07047	75.5
95.04974	9.7
95.08614	59.3
96.08989	2.3
97.06537	6.4
97.10175	6.8
98.23370	3.7
99.08076	3.0
102.13111	1.7
105.04520	2.9
105.07030	36.3
107.04970	2.6
107.08591	43.0
109.06537	7.6
109.10147	27.1
111.08096	5.2
113.09634	3.9
115.05468	2.8
117.07014	17.9
119.08582	32.0
121.06534	2.7
121.10144	29.7
123.08114	3.1
123.11722	7.5
129.07022	5.5
131.08571	26.6
133.10126	21.7
135.08054	3.5
135.11700	14.1
137.09644	2.7
143.08591	3.8
145.10098	11.9
147.11688	14.0
149.09569	2.3
149.13286	8.3
151.11256	2.3
157.10158	5.9
159.11702	14.7
161.13255	9.2
163.14873	4.7
171.11691	3.1
173.13300	5.9
177.12784	2.8
183.11679	2.3
185.13400	1.8
187.14822	2.9
189.16290	2.4
195.13817	2.9
197.13220	2.1
199.14821	2.6
217.15787	2.6
227.12790	2.8
229.14339	13.1
235.16956	2.3
239.17931	2.3
243.21223	3.6
247.20686	2.4
257.19028	4.0
259.20587	2.3
261.22241	8.3
267.15927	2.9
269.17438	15.9
275.20132	22.6
291.19626	3.0
293.21216	2.1
308.49591	1.9
317.24863	2.7
331.22504	2.2
335.25809	74.3
336.26172	5.6
349.23685	14.2
349.27481	2.8
363.25491	2.1
400.91028	1.9
489.35675	7.0
506.45584	2.2
529.38916	57.9
530.39215	6.1
569.41986	100.0
570.42255	9.2
609.45026	18.9
627.45441	2.9
641.48022	9.6
641.56934	2.3
651.25879	3.9
652.86194	2.5
693.19727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09376	0.7
54.12686	0.6
55.46655	0.6
57.11056	0.7
67.05504	0.8
71.30897	0.6
79.05483	1.0
81.07045	0.7
91.05483	1.0
93.07030	1.2
94.05449	0.7
95.08620	1.2
107.08606	0.8
109.10197	0.9
182.49910	0.6
221.15123	0.8
224.54242	0.7
247.57747	0.6
504.54169	0.7
545.14612	1.5
563.15533	6.0
564.15253	1.1
577.16119	0.8
617.16534	0.7
621.19391	0.8
663.20538	1.6
664.21210	6.9
665.21973	2.5
668.53546	0.8
695.23273	100.0
696.23535	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18011	0.7
56.05038	16.7
61.01152	13.7
66.62031	0.8
69.03456	0.7
69.07080	1.1
69.11912	3.2
69.12338	2.7
70.06610	1.9
71.04989	1.0
72.08170	1.1
77.78898	0.8
79.05508	0.9
81.03440	1.1
81.07100	1.5
84.04528	1.1
84.08150	49.3
86.09711	100.0
87.10081	1.5
88.03997	17.2
91.05501	2.9
93.07073	1.7
95.08598	1.6
97.02905	1.0
98.06059	15.2
98.06665	1.2
98.22622	1.8
100.11334	0.8
101.10782	1.5
103.05501	3.2
104.05336	41.3
105.03428	1.0
105.07052	2.3
119.04962	1.2
119.08620	1.5
120.08115	45.2
121.08482	1.3
129.10245	20.0
130.08649	21.1
133.06505	1.8
133.10182	1.0
137.05992	5.7
141.10190	1.2
145.02872	2.6
145.10115	1.0
146.06349	37.9
147.04462	1.9
147.11295	17.1
147.12416	1.4
149.05952	0.8
151.89243	0.7
156.10172	1.0
161.06033	1.4
166.08653	0.9
167.07074	2.1
174.05856	39.1
175.03899	1.2
175.06097	1.0
177.05472	7.1
179.07051	2.4
183.11285	1.8
187.14851	0.8
191.12762	0.8
201.12375	10.2
203.07167	0.8
207.06619	2.6
208.06874	1.9
229.11913	1.0
233.16591	1.3
276.17249	2.8
277.15335	1.2
289.08551	12.2
294.18143	23.6
295.18610	1.0
330.18478	1.0
374.17508	11.3
402.16962	26.8
403.17114	1.9
407.26495	6.6
453.30173	2.2
483.30945	1.3
501.32169	1.0
506.19382	2.7
522.29248	3.7
538.21790	1.4
539.23004	1.0
549.23816	1.4
695.24860	3.5
695.34320	86.7
696.34686	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	695.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76042	0.6
58.72948	0.7
67.05482	1.3
68.99800	0.7
69.57199	2.9
119.04932	1.7
137.66898	0.7
145.02837	1.2
153.01843	5.0
162.31381	0.6
198.11769	0.9
271.06012	100.0
272.06323	6.2
303.58240	0.7
573.84760	0.8
695.35358	47.5
696.35864	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	695.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75148	1.2
55.05502	1.7
56.33593	1.3
60.78111	1.2
64.65545	1.5
67.05508	1.6
69.03431	1.5
69.07054	1.6
70.06569	1.7
71.30185	1.7
79.05484	2.3
81.07059	1.9
83.04980	6.7
85.02920	5.4
91.05501	3.1
93.07046	3.1
95.04987	1.8
95.08590	2.6
103.05457	1.4
105.07004	1.4
106.47884	1.3
107.08611	3.5
109.02832	1.3
109.10175	1.7
119.08626	1.3
121.10233	1.9
127.03941	1.8
128.06226	1.7
131.08575	2.1
149.13271	1.4
161.13356	1.5
165.09172	1.8
187.07338	1.9
190.10760	1.4
193.12154	1.6
195.13602	1.8
221.11482	2.4
237.08624	1.5
245.11484	8.1
287.05600	4.3
291.23053	3.1
294.65619	1.3
333.23859	4.2
335.21835	7.5
367.18021	3.6
452.32846	1.7
470.33740	22.5
471.34241	4.4
486.33029	8.1
487.33447	1.4
496.31616	2.4
497.32037	3.2
514.32648	21.4
514.62109	1.5
515.32910	8.5
533.33789	2.8
633.39807	14.6
634.39929	1.4
649.39166	3.9
659.38037	2.2
677.38757	72.6
678.39276	8.8
695.39789	100.0
696.40411	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	695.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.0
62.99396	0.8
67.05508	1.5
69.07075	1.1
69.69686	2.8
69.70095	1.3
70.77691	0.8
81.07064	2.9
83.04983	1.4
84.16251	0.9
85.02940	1.0
91.05479	1.9
93.07051	1.9
95.08617	1.9
105.07037	1.4
107.08626	1.4
109.10151	2.0
113.78647	0.9
119.08630	1.0
121.06553	1.1
131.08536	0.8
137.06027	1.5
159.11742	1.1
161.13329	1.2
187.07375	1.8
197.40776	1.0
207.09984	2.9
208.10706	1.6
245.11395	5.5
263.16248	1.8
287.05481	12.0
291.22971	2.2
333.24084	3.4
335.21890	4.3
349.23712	1.1
358.21021	1.3
443.74255	1.0
467.48608	1.2
470.33652	22.1
471.34274	3.0
486.33130	6.9
487.34503	2.0
496.31650	3.6
497.32068	1.6
499.31302	1.1
514.32642	18.7
515.32959	6.6
533.34521	1.9
633.39594	10.2
647.24878	1.0
649.39154	4.0
659.37598	3.1
677.26642	1.4
677.38721	56.2
678.39136	6.0
695.39825	100.0
696.40283	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	695.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	11.4
70.18671	1.1
71.95258	1.4
72.96053	0.6
78.91725	0.3
79.05489	0.8
81.07053	2.8
82.65292	0.3
88.01088	0.3
97.96878	0.9
98.97577	0.5
100.91405	0.3
101.19920	0.3
110.97562	1.9
112.24466	0.3
115.97820	0.4
116.98579	0.4
119.01736	0.5
123.01207	0.3
128.98608	2.1
129.69601	0.3
137.02696	0.3
139.00662	0.5
141.02296	0.4
146.99644	1.2
147.03241	0.4
151.04355	0.3
153.02148	0.4
155.03850	0.5
157.01863	0.4
159.03270	0.4
165.02202	0.3
167.00258	0.3
167.03806	0.5
169.05449	0.6
171.03377	0.9
173.04910	0.7
177.04352	0.4
177.05888	0.3
181.05394	0.4
183.03357	0.6
185.04880	1.3
187.02782	0.4
187.06482	0.7
189.04349	0.7
195.03416	0.3
195.06973	1.2
199.02797	0.5
199.06429	2.5
201.07909	0.3
203.05852	1.6
205.05740	0.4
205.07370	1.6
207.06978	0.6
211.06352	0.7
213.04547	0.4
213.07979	7.6
214.04828	0.3
214.08221	0.3
215.80423	0.3
217.07489	2.9
219.03310	0.3
221.08614	0.5
223.02803	0.6
223.06473	0.4
223.08389	0.8
223.10263	0.5
225.07983	3.8
227.05966	0.5
227.09523	0.5
229.07401	1.7
231.06877	0.7
231.09042	8.5
232.09575	0.4
233.08662	0.4
237.04341	0.7
237.07898	1.5
239.09573	3.0
241.03862	0.3
241.11140	4.9
242.08289	0.5
243.09099	3.1
245.10420	0.4
247.08490	0.9
249.08020	0.5
251.09560	5.4
252.09996	0.4
253.11209	1.1
255.09048	6.9
257.10651	2.3
259.12167	4.8
260.09500	0.5
260.12500	0.4
261.07904	0.6
261.10272	0.6
262.08664	0.3
267.09009	1.0
269.10596	30.5
270.10895	1.4
271.12192	0.8
273.10114	4.2
278.10785	0.4
279.09000	2.1
280.09888	1.6
285.10132	0.5
287.11646	12.1
288.12024	0.6
292.12198	0.8
297.10068	2.9
298.10825	1.2
303.16165	0.4
307.15768	0.5
313.14716	0.6
315.10962	1.5
316.11856	0.5
319.15714	0.4
331.15796	8.6
332.16138	0.7
335.36224	0.3
349.16843	15.4
350.17163	1.0
367.17917	100.0
368.18219	6.1
372.18094	0.4
385.18979	19.2
386.19446	1.2
408.20615	2.4
677.39331	0.7
695.40497	9.2
696.40900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01865	2.1
57.96617	0.3
58.96285	0.3
61.83049	0.3
63.02368	0.3
65.61077	0.2
69.27977	1.7
71.42371	0.3
73.26157	0.3
77.03939	0.3
79.05496	5.2
85.02909	0.6
85.09876	0.3
89.03923	1.1
90.04700	0.7
91.05482	2.5
95.04970	1.0
98.22672	0.4
103.03988	0.4
103.05469	6.9
103.06127	0.5
104.06290	0.4
105.07031	59.5
106.07382	2.4
107.04951	0.5
115.05456	12.4
118.04166	4.4
127.03947	0.4
131.04938	2.1
132.05716	0.5
133.06490	58.0
134.06825	2.1
143.04913	1.1
143.06018	5.1
144.06406	0.3
151.97440	0.3
161.05978	100.0
162.06332	4.7
193.08609	73.7
194.08951	3.5
198.23381	0.3
289.53897	0.3
360.44730	0.3
472.99789	0.3
721.90808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03941	0.6
55.01874	1.7
57.66401	0.2
62.96511	0.2
65.03937	0.2
67.65298	0.2
69.03421	0.4
69.34491	1.5
70.06586	0.4
72.08174	0.2
77.03921	0.4
79.05490	5.1
81.03384	0.2
83.32087	0.2
85.02913	0.9
89.03928	0.7
90.04703	0.5
91.05472	2.1
95.04967	1.0
97.02888	0.3
100.11284	0.6
103.05464	6.2
105.07026	53.4
106.07384	1.4
107.04954	0.4
107.08629	0.3
107.83063	0.2
111.04463	0.2
115.05447	12.0
116.05739	0.4
118.04147	3.7
119.04968	0.3
121.10122	0.2
127.03900	0.7
131.04912	1.8
132.05759	0.5
133.06485	52.8
134.06818	1.9
137.05991	0.2
143.04919	0.9
143.06017	4.6
145.04932	0.4
145.10086	0.2
147.04402	0.4
149.06030	0.4
153.01842	0.3
161.05971	100.0
162.06300	3.7
182.15355	0.3
193.08598	83.3
194.08926	3.1
209.16336	0.3
210.14882	0.4
287.05472	10.7
300.27768	0.3
330.03812	0.2
341.11221	0.5
449.10623	0.7
535.10675	0.7
666.56604	0.3
696.53186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03951	0.6
55.01871	2.0
55.43641	0.3
61.92215	0.3
64.84303	0.3
66.30823	0.2
68.00053	0.3
69.29420	1.8
70.06587	0.4
78.94183	0.3
79.05495	4.7
85.02906	1.1
87.65186	0.3
89.03947	0.5
90.04704	0.5
91.05483	2.6
95.04963	0.5
95.08602	0.3
99.04469	0.3
103.05467	5.8
105.07034	48.3
106.07365	1.6
107.04991	0.4
115.05454	10.7
116.05846	0.3
118.04154	3.7
128.64909	0.3
131.04903	1.8
132.05688	0.3
133.06494	51.0
133.69807	0.3
134.06813	1.7
137.05937	0.6
140.30240	0.3
143.04900	0.9
143.06049	4.6
145.04919	0.4
147.04463	0.3
161.05981	100.0
162.06325	3.6
163.04056	0.3
178.06244	0.3
193.08607	81.7
194.08940	3.5
199.48116	0.3
207.06573	1.0
271.09650	0.4
287.05499	1.1
504.32547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.2
55.05512	16.3
57.03429	6.0
57.07068	8.7
61.02925	25.8
64.12372	1.2
67.05507	64.4
68.05847	1.7
69.03421	4.7
69.07066	20.2
71.04964	2.0
71.08628	5.6
72.52835	1.7
73.02911	9.7
79.05494	20.2
80.05830	1.3
81.03467	1.4
81.07059	82.4
82.07369	2.5
83.04982	2.2
83.08624	19.0
85.02908	34.3
85.06563	2.0
85.10174	3.3
91.03954	30.6
91.05482	15.3
93.07046	24.5
95.08608	73.1
96.08961	3.0
97.02892	15.8
97.06532	5.8
97.10168	9.5
99.08051	3.6
105.07038	10.2
107.08586	16.8
109.09543	1.3
109.10157	36.6
111.08080	3.7
111.11730	3.1
113.09650	2.7
119.08572	10.3
121.10149	23.6
123.11710	18.2
124.12075	1.5
125.09605	2.5
127.03912	9.3
127.11198	1.5
133.10123	13.4
135.11685	14.8
137.09537	1.3
137.13239	7.6
141.12730	3.2
145.04948	11.3
147.11696	9.5
149.13245	11.2
151.11145	1.7
151.14842	6.6
155.14296	3.7
161.13266	16.7
163.06013	26.0
163.14815	11.4
165.16429	10.0
175.14822	11.4
177.16515	2.2
179.17885	8.3
181.16014	1.7
189.16368	4.0
217.19559	2.6
245.22643	69.3
246.22905	5.2
263.23703	100.0
264.23972	8.1
265.25272	2.5
277.66693	1.5
281.24860	1.6
337.27368	47.0
338.27686	4.3
355.28342	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	696.541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66550	3.3
53.03939	4.2
53.10560	3.4
55.05511	24.0
57.03427	16.6
57.07075	5.9
67.05178	5.9
67.05507	82.7
69.07064	28.8
71.04986	11.5
79.05498	33.4
81.07060	100.0
83.08630	17.1
85.06559	4.6
86.74257	3.3
89.29253	3.3
91.05481	37.7
93.07055	41.6
95.08614	72.1
97.06535	8.6
97.10168	6.7
99.08115	3.8
105.07037	21.9
107.08597	20.7
109.10162	28.4
117.07005	11.7
119.08556	19.9
121.10147	18.0
123.11680	6.6
131.08556	16.5
133.10130	15.7
135.11679	7.0
143.08524	4.7
145.10088	7.1
147.11665	9.2
149.13301	5.6
157.10194	6.3
159.11687	4.8
173.13223	6.4
175.14832	6.0
178.23370	3.5
209.10397	4.3
229.14291	6.1
235.16829	4.8
252.29172	3.7
257.19064	3.8
262.25186	8.5
269.17499	11.7
275.19977	17.7
305.71130	3.4
337.27319	49.4
349.23636	9.6
461.48807	3.7
491.37372	6.9
531.40515	39.0
571.43665	52.9
572.43829	8.9
611.46637	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	697.161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35279	0.1
52.94234	0.1
55.01842	0.3
55.05514	1.0
59.25749	0.2
65.03911	0.2
67.01855	0.2
68.99767	0.3
69.03439	0.8
69.07045	0.2
70.06572	0.3
71.04948	0.4
71.31375	0.3
73.02881	0.2
74.45272	0.1
79.05460	0.4
81.03372	0.5
81.07043	0.3
82.06584	0.2
83.04943	0.3
83.08611	0.8
84.08109	0.2
85.02909	1.0
85.06474	0.2
91.05433	0.7
92.04977	0.2
93.06998	0.7
95.04983	1.0
95.08582	0.3
97.02850	0.5
99.04408	0.2
100.07587	0.3
100.11262	4.4
105.07042	1.2
107.08556	0.5
109.02837	0.4
109.06476	0.3
109.10099	0.4
111.00782	0.4
111.04420	0.6
111.09082	0.1
115.05368	0.2
119.04874	0.4
119.08508	0.4
121.10123	0.4
121.91039	0.2
127.03870	0.6
128.07031	0.4
129.06938	0.2
131.04854	0.3
131.08511	0.3
133.06456	0.4
133.10121	0.8
135.04428	1.0
137.02309	0.4
137.05943	0.4
138.09056	0.2
139.08665	0.3
143.03323	0.2
145.04910	0.2
145.10071	0.2
145.48457	0.2
147.04404	1.3
147.11578	0.2
149.13293	0.2
151.94049	0.1
153.00670	0.3
153.01825	3.4
153.09055	0.3
154.08531	0.2
157.10049	0.2
159.11673	0.2
161.02295	0.4
161.05954	0.7
161.09541	0.2
166.08597	0.4
167.07040	0.4
171.02859	0.5
175.11128	0.2
176.54453	0.1
179.03392	0.3
182.15404	1.5
187.07637	0.2
188.03426	0.5
191.14285	0.5
193.08531	0.6
206.04399	0.3
207.06508	0.3
209.16692	1.0
210.14909	2.2
241.04903	0.3
269.04434	0.2
275.04074	0.2
287.05496	100.0
288.05841	6.7
288.08447	0.1
326.27737	0.2
341.11346	1.2
343.30731	0.2
419.08664	0.2
449.10797	33.6
450.11124	3.0
469.29477	0.2
535.10754	1.4
611.16119	1.3
612.16266	0.2
653.17114	0.2
679.15015	0.3
697.16083	2.8
697.26282	0.3
697.52240	6.6
698.16663	0.4
698.52979	0.3
707.68384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.161
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.35279	0.1
52.94234	0.1
55.01842	0.3
55.05514	1.0
59.25749	0.2
65.03911	0.2
67.01855	0.2
68.99767	0.3
69.03439	0.8
69.07045	0.2
70.06572	0.3
71.04948	0.4
71.31375	0.3
73.02881	0.2
74.45272	0.1
79.05460	0.4
81.03372	0.5
81.07043	0.3
82.06584	0.2
83.04943	0.3
83.08611	0.8
84.08109	0.2
85.02909	1.0
85.06474	0.2
91.05433	0.7
92.04977	0.2
93.06998	0.7
95.04983	1.0
95.08582	0.3
97.02850	0.5
99.04408	0.2
100.07587	0.3
100.11262	4.4
105.07042	1.2
107.08556	0.5
109.02837	0.4
109.06476	0.3
109.10099	0.4
111.00782	0.4
111.04420	0.6
111.09082	0.1
115.05368	0.2
119.04874	0.4
119.08508	0.4
121.10123	0.4
121.91039	0.2
127.03870	0.6
128.07031	0.4
129.06938	0.2
131.04854	0.3
131.08511	0.3
133.06456	0.4
133.10121	0.8
135.04428	1.0
137.02309	0.4
137.05943	0.4
138.09056	0.2
139.08665	0.3
143.03323	0.2
145.04910	0.2
145.10071	0.2
145.48457	0.2
147.04404	1.3
147.11578	0.2
149.13293	0.2
151.94049	0.1
153.00670	0.3
153.01825	3.4
153.09055	0.3
154.08531	0.2
157.10049	0.2
159.11673	0.2
161.02295	0.4
161.05954	0.7
161.09541	0.2
166.08597	0.4
167.07040	0.4
171.02859	0.5
175.11128	0.2
176.54453	0.1
179.03392	0.3
182.15404	1.5
187.07637	0.2
188.03426	0.5
191.14285	0.5
193.08531	0.6
206.04399	0.3
207.06508	0.3
209.16692	1.0
210.14909	2.2
241.04903	0.3
269.04434	0.2
275.04074	0.2
287.05496	100.0
288.05841	6.7
288.08447	0.1
326.27737	0.2
341.11346	1.2
343.30731	0.2
419.08664	0.2
449.10797	33.6
450.11124	3.0
469.29477	0.2
535.10754	1.4
611.16119	1.3
612.16266	0.2
653.17114	0.2
679.15015	0.3
697.16083	2.8
697.26282	0.3
697.52240	6.6
698.16663	0.4
698.52979	0.3
707.68384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1606
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
52.92040	0.1
55.01842	0.1
55.05498	0.1
57.03420	0.1
59.39526	0.1
60.04508	0.1
64.74316	0.1
67.01875	0.3
67.05472	0.1
67.11205	0.1
68.99477	0.1
68.99793	0.2
69.03404	0.1
70.06563	0.3
70.50534	0.1
71.05003	0.4
71.57172	0.1
72.08133	0.1
79.05455	0.2
80.89150	0.1
81.03387	0.2
81.07018	0.2
83.08618	0.1
84.04488	0.1
85.02914	0.7
86.09671	0.3
89.03948	0.1
91.05463	0.2
93.07012	0.2
95.04939	0.1
95.08576	0.2
97.02885	0.1
99.04430	0.1
105.07063	0.8
106.07325	0.1
107.04920	0.1
107.08571	0.2
109.02832	0.2
110.07127	0.2
111.04444	0.1
115.05427	0.1
117.03374	0.1
117.06989	0.1
119.04877	0.1
119.08556	0.3
127.03886	0.1
129.01892	0.1
129.05476	0.1
129.06985	0.2
131.08568	0.4
133.06512	0.5
133.10094	0.3
135.03505	0.1
135.04420	1.1
135.08130	0.1
137.02301	0.3
137.05952	0.2
142.07788	0.1
143.08527	0.3
143.11674	0.1
145.04930	0.1
145.10103	0.6
147.04349	0.1
147.08008	0.2
147.11649	0.1
153.01826	3.3
154.02107	0.1
155.08572	0.1
156.09282	0.1
157.10106	0.4
159.11697	0.5
161.02359	0.4
161.05971	0.7
161.09663	0.1
161.13258	0.1
162.06332	0.2
167.07028	0.1
169.10127	0.2
169.50580	0.1
171.02846	0.4
171.11578	0.3
173.05925	0.1
173.13211	0.3
175.03792	0.1
175.11174	0.1
177.12698	0.1
179.03409	0.2
183.11684	0.3
185.13281	0.6
187.11118	0.1
187.14806	0.4
189.12634	0.2
191.14307	0.1
193.08571	0.5
194.08936	0.2
195.11650	0.1
197.13271	0.2
199.14740	0.4
201.12628	0.1
201.16302	0.1
203.03448	0.1
203.10680	0.1
203.14326	0.4
205.12167	0.1
207.06512	0.1
213.05440	0.1
215.14343	0.1
216.09839	0.1
217.15909	0.1
219.06526	0.1
219.13759	0.2
229.15724	0.1
231.13852	0.1
241.04909	0.4
245.04401	0.1
259.06009	0.1
263.05746	0.1
269.04373	0.3
270.04779	0.1
286.04694	0.1
287.05487	100.0
288.05820	6.4
318.94647	0.1
403.26614	0.1
421.27441	0.1
423.29199	0.1
433.27203	0.2
435.28647	0.1
439.28387	0.1
449.10785	12.1
450.11105	1.0
451.28180	0.1
467.27725	0.2
469.29526	0.1
471.31149	0.2
485.28961	0.5
491.11801	0.2
497.29080	0.1
515.29974	0.3
517.10022	0.1
533.31116	0.7
534.31317	0.1
535.10828	4.6
536.11224	0.5
611.15942	0.7
631.34796	0.1
679.15338	0.1
697.15948	1.9
698.16364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20627	0.1
53.03936	0.1
54.11619	0.1
55.01871	0.2
55.05508	0.1
57.03431	0.1
60.10383	0.1
61.02914	0.2
64.15627	0.1
67.01859	0.5
67.05498	0.1
67.42478	0.1
68.99780	0.5
69.03433	0.7
69.07064	0.1
69.22330	0.5
70.06577	0.1
71.04976	0.2
72.94752	0.1
73.02918	0.2
76.14280	0.1
79.05479	0.2
81.03423	0.5
81.07057	0.2
81.39676	0.1
82.83967	0.1
83.01361	0.1
83.04955	0.1
85.02414	0.1
85.02904	1.3
87.00832	0.2
87.04452	0.1
89.03935	0.1
91.05478	0.2
93.07056	0.3
95.04951	0.1
95.08615	0.2
97.02892	0.6
99.04452	0.2
100.11241	0.2
105.01867	0.2
105.07037	0.3
107.04935	0.2
107.08591	0.2
109.02861	0.6
109.06555	0.1
111.00800	0.1
111.04414	0.1
117.03387	0.3
119.08583	0.2
121.10153	0.1
123.08058	0.1
127.03913	0.8
129.01837	0.2
133.10168	0.1
135.04402	1.7
137.02304	0.6
143.03378	0.1
145.04967	0.4
145.06282	0.1
145.10129	0.1
147.04463	0.1
151.07579	0.1
153.01820	4.7
154.02182	0.1
159.02934	0.2
159.11659	0.1
161.02328	0.7
161.05899	0.1
171.02907	0.6
179.03352	0.4
183.23027	0.1
185.05991	0.1
187.14761	0.1
203.03557	0.1
213.05513	0.1
217.04799	0.1
219.06462	0.2
230.43166	0.1
231.04845	0.2
233.15431	0.1
241.04958	0.7
245.04536	0.1
259.06000	0.2
263.05615	0.1
268.45236	0.1
269.04361	0.4
270.05148	0.1
286.04370	0.1
287.05475	100.0
288.05814	6.8
380.57144	0.1
449.10712	0.8
481.98422	0.1
491.11823	0.1
517.09583	0.2
535.10791	3.5
536.10938	0.5
611.15570	0.2
663.71271	0.1
697.15540	0.5
697.26520	0.3
697.37524	0.1
697.51709	0.3
698.16205	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.30553	0.4
79.05493	0.4
80.02730	0.4
91.05479	0.7
95.08649	0.4
97.90427	0.4
101.89477	0.3
105.07076	0.5
107.08597	0.5
119.08622	0.4
145.10176	0.5
203.05325	1.7
206.23276	0.4
222.15485	0.4
259.07962	1.4
347.09781	1.4
349.34839	0.4
365.10498	2.4
373.23969	0.4
421.13257	1.1
464.30392	0.4
535.28784	15.6
536.29340	1.5
601.20447	0.8
608.70959	0.4
633.24054	0.7
697.34039	100.0
698.34308	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	697.371
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
51.27428	1.5
57.04118	1.2
67.05499	4.0
71.31091	1.0
79.05479	3.1
81.07047	4.2
83.03536	1.1
85.79299	1.2
91.05489	1.5
93.07042	1.6
95.05001	1.9
95.08585	2.1
98.03857	1.3
100.31483	1.1
105.07022	1.6
107.08629	1.5
109.10160	1.3
119.08594	2.9
145.48344	1.1
160.15738	1.3
161.13217	1.6
214.35857	1.3
231.89459	1.3
253.36557	1.3
317.58810	1.3
487.36655	1.5
697.36914	100.0
698.37201	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	697.3713
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
50.31557	1.6
51.56759	1.7
52.34174	1.6
70.83727	2.5
81.07053	2.4
99.25254	1.6
171.11739	1.9
185.09364	1.6
262.25348	3.8
271.06033	20.6
697.36957	100.0
698.37189	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	697.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.2
55.05524	4.3
63.01312	1.7
65.76163	1.9
67.05506	9.2
69.03445	2.9
69.07068	7.1
69.21792	3.8
69.22203	11.6
77.59342	2.1
79.05487	11.1
81.03455	2.1
81.07072	16.7
81.82034	1.9
83.04997	2.2
83.08639	2.3
85.02906	5.2
89.18428	2.0
91.05485	14.8
93.07047	20.8
95.04972	4.9
95.08609	43.6
96.08946	2.4
97.06573	2.3
97.10160	3.0
105.07029	27.3
107.04964	2.6
107.08601	27.0
108.18822	2.0
109.06506	4.8
109.10181	14.4
111.08055	2.7
117.07038	7.0
119.08576	47.8
121.06531	4.9
121.10153	12.5
123.08064	3.6
123.11745	3.9
125.05974	2.3
127.03915	3.1
129.06990	4.8
131.08574	23.3
133.06557	2.7
133.10129	21.1
135.08072	7.8
135.11700	8.8
137.05954	6.0
137.09631	7.3
142.07823	4.4
143.08572	13.0
144.09422	2.3
145.10124	31.7
147.08060	7.0
147.11694	11.1
149.05957	2.2
149.09590	3.1
149.13263	5.5
151.07530	4.3
151.11122	1.9
155.08571	4.6
156.09337	3.1
157.10173	16.2
159.08109	3.2
159.11703	18.0
161.09657	4.9
161.13258	6.0
163.07608	3.7
163.11194	2.2
163.14857	5.5
169.10138	5.0
170.10880	3.0
171.11737	11.9
173.09579	2.6
173.13252	17.7
174.13618	1.9
175.11247	3.2
175.14815	11.2
177.12857	3.3
177.16374	5.0
179.14227	2.4
183.11745	6.5
185.09534	2.7
185.13304	16.4
187.11211	2.5
187.14822	65.5
188.15118	4.2
189.12735	6.8
189.16411	8.2
190.39555	2.1
191.10690	2.7
191.14386	5.8
197.13260	6.4
199.11082	2.3
199.14810	13.3
200.15274	2.7
201.12717	3.2
201.16357	14.5
203.14334	40.3
205.12320	2.5
205.15869	14.0
209.13339	2.1
211.14775	3.9
213.12654	2.9
213.16383	11.2
215.14374	5.5
215.17957	2.8
217.12309	2.7
217.15884	10.5
225.16426	3.6
227.14287	3.3
227.17920	4.5
229.15906	3.3
231.13805	5.5
231.17444	3.5
233.15366	4.3
237.16545	2.5
239.17867	4.0
249.14719	3.1
251.18100	2.3
253.19376	3.3
287.05579	5.5
308.45523	2.1
309.25806	6.5
325.25409	2.7
371.26028	2.6
373.28757	2.5
389.28384	5.5
391.29919	4.5
405.28058	2.5
407.29248	10.5
417.27859	6.8
419.29495	4.4
435.29019	11.7
436.28827	2.7
437.30475	4.1
451.28473	5.6
453.30270	12.1
455.31631	41.4
456.31921	4.4
463.28384	4.9
469.29501	64.2
470.29678	9.1
481.29538	8.8
487.30402	7.2
499.30612	38.2
500.30792	4.0
517.31616	100.0
517.39331	5.2
518.32245	14.2
716.64001	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73413	0.7
53.03941	1.4
55.01878	1.1
55.05276	0.8
55.05507	5.3
57.07074	1.1
65.03938	0.8
67.05503	10.9
68.88564	0.7
69.03426	5.0
69.07072	5.7
69.32143	2.4
69.32558	2.3
71.04989	1.1
73.02894	1.0
79.05489	9.5
81.03419	2.1
81.07058	19.8
83.04981	1.9
83.08603	2.1
85.02895	1.8
85.06539	1.7
88.25443	0.8
90.55967	0.7
91.05478	12.8
93.07047	19.9
95.01328	7.5
95.04973	10.1
95.08607	44.6
96.08917	1.5
97.06546	4.6
97.10179	1.0
99.04450	1.6
103.05447	1.5
105.04526	0.8
105.07034	30.1
107.04946	1.2
107.08596	21.5
109.06503	2.6
109.10163	12.7
111.08084	2.6
113.02325	0.7
115.05440	1.1
117.07029	5.4
119.08580	45.2
120.08907	1.3
121.06509	3.9
121.10147	14.6
123.08062	5.3
123.11714	4.0
125.09609	1.8
128.06201	2.2
129.07010	5.1
130.07803	1.3
131.04930	1.2
131.08575	17.0
133.06522	1.2
133.10129	20.2
134.10461	0.9
135.08051	5.4
135.11690	5.8
137.06012	0.9
137.09622	3.1
137.13191	0.7
137.34592	0.8
141.01826	9.7
141.06876	0.8
142.07787	2.7
143.08577	11.4
144.09317	1.1
145.10124	32.7
146.10536	1.3
147.08035	6.1
147.11694	13.2
147.94507	0.7
149.09619	3.2
149.13272	5.8
151.11180	1.6
153.09109	1.0
155.08533	3.7
156.09335	2.6
157.10136	13.1
158.10863	1.5
159.08038	1.9
159.11693	19.9
160.82455	0.7
161.09621	5.2
161.13266	11.1
163.07611	1.3
163.11205	1.7
163.14821	6.5
169.10143	4.2
169.11343	0.7
170.10867	1.9
171.11693	9.2
172.12375	1.2
173.09657	3.0
173.13264	13.7
175.11203	2.5
175.14832	11.5
177.12775	2.2
177.16396	3.2
179.14336	1.0
181.10155	1.5
182.10884	1.2
183.11723	4.8
185.13226	8.4
187.11229	1.1
187.14821	35.7
188.15253	2.2
189.12686	6.5
189.16400	8.7
191.10614	0.8
191.14301	4.5
191.17935	0.9
193.10168	1.1
195.11766	1.4
197.13275	6.3
199.14824	10.8
201.12804	2.1
201.16393	12.7
202.16754	0.9
203.14308	37.7
203.17975	1.8
204.14700	1.8
205.15894	9.9
207.11662	0.8
209.13316	1.8
209.15092	0.9
211.14803	4.0
213.16368	12.4
214.16751	0.9
215.14326	7.1
215.17903	4.4
217.15854	10.0
219.13908	1.0
219.17448	2.4
221.15338	1.5
223.14853	1.7
225.12767	0.8
225.16396	3.1
227.17880	3.5
229.15891	6.6
229.19530	1.0
230.89534	0.8
231.13858	1.1
231.17372	5.3
233.15376	3.2
237.16425	2.0
239.18010	2.5
241.16040	1.7
241.19579	1.7
243.17458	1.9
243.20856	0.8
245.15465	1.8
245.18941	0.9
247.16913	2.8
251.18002	1.3
253.19510	1.7
255.17384	0.8
255.21063	0.8
257.19073	0.9
259.16882	1.0
265.19589	1.3
267.21094	1.0
269.19107	1.3
269.22629	1.1
271.20517	1.1
281.22601	1.0
287.05566	0.7
307.24283	1.7
323.27225	0.9
325.25220	1.0
331.24271	0.9
337.21704	0.9
364.42670	0.8
371.25610	1.2
385.28983	1.2
391.29956	1.9
393.31470	0.8
403.29938	7.7
404.30667	0.9
405.31622	2.3
411.32809	1.1
419.29376	1.8
421.30963	10.5
422.31152	1.1
423.32703	5.2
431.29453	3.1
431.35123	0.8
437.30386	1.9
439.32111	4.1
449.30487	9.6
450.30505	0.9
455.31552	100.0
456.31894	11.7
467.31595	16.3
468.31915	2.1
485.32623	84.3
486.32968	12.7
496.34219	1.7
503.33664	43.4
504.33899	5.3
521.34924	1.9
608.00897	1.1
643.34760	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	697.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.1
57.03429	1.5
57.07081	1.3
65.03929	1.0
65.39148	1.0
66.61794	0.8
67.05503	10.6
69.03435	5.2
69.07063	6.9
69.07664	7.8
71.04987	1.0
76.57403	0.9
78.21347	0.8
79.05484	9.9
80.84476	0.9
81.03436	1.5
81.07055	15.9
83.04991	3.4
83.08615	2.6
85.02902	2.9
90.84151	0.8
91.05485	10.9
91.38573	0.9
93.07051	17.2
95.01314	8.7
95.04975	9.8
95.08611	45.7
96.08936	1.5
97.02889	1.0
97.06528	3.7
97.10155	1.6
99.04457	2.6
101.02370	0.9
104.82784	0.9
105.07035	24.0
107.08600	21.7
109.06515	4.0
109.10156	15.7
111.08069	1.4
115.05383	1.0
117.07021	4.5
119.08578	48.1
120.08968	1.1
121.06509	3.6
121.10135	15.9
123.08082	5.1
123.11702	3.9
125.09628	1.7
128.06242	1.9
129.07004	5.1
131.08568	18.1
133.06519	0.9
133.10133	22.1
135.08063	6.3
135.11725	6.8
137.05984	0.9
137.09608	4.3
141.01828	9.9
142.07791	2.9
143.08563	12.0
144.09329	2.0
145.10121	29.5
146.10628	1.2
147.08080	6.9
147.11713	11.9
149.09592	5.3
149.13281	6.1
151.11208	1.9
155.08582	3.7
156.09341	2.5
157.10149	14.3
158.10678	1.2
159.08105	2.4
159.11696	20.0
161.09645	4.9
161.13258	12.5
163.07631	1.1
163.11176	2.1
163.14821	5.3
168.07718	0.9
168.09291	1.1
169.10112	5.3
171.11676	10.0
172.12340	1.4
173.09587	2.1
173.13255	14.6
175.11229	2.9
175.14818	12.0
177.12740	3.1
177.16435	3.2
179.14288	1.8
182.10986	1.6
183.11676	6.5
185.13271	8.4
187.11197	2.1
187.14815	38.7
188.15120	1.8
189.12766	6.9
189.16408	7.2
191.14325	5.7
193.12312	1.0
195.11662	2.0
197.13287	5.5
199.14812	11.5
201.12769	2.5
201.16386	13.7
203.14317	37.2
203.17984	1.6
204.14679	1.7
205.15878	11.2
207.13806	1.6
209.13376	1.7
211.14877	4.2
213.12808	1.1
213.16367	11.8
215.14363	8.6
215.17900	4.9
217.15874	10.9
219.13824	1.6
219.17378	3.0
221.13177	1.1
221.15408	2.1
223.14720	1.1
225.16446	2.6
227.14330	1.6
227.17921	2.9
229.15947	7.1
229.19434	1.1
231.13867	1.2
231.17404	5.7
233.15370	4.0
237.16454	2.2
239.17876	2.5
241.15948	1.4
241.19400	1.8
243.17563	1.7
245.15369	1.1
247.16954	3.1
251.18253	1.1
253.15784	1.2
253.19611	2.7
257.19168	1.5
263.18073	1.1
279.20877	1.1
321.25549	1.2
369.27872	1.3
391.29807	2.8
403.29990	6.4
404.30096	1.5
405.31464	3.9
409.31284	1.9
421.30862	8.8
422.31888	1.6
423.32635	4.5
431.29309	2.7
437.30508	1.7
439.32114	5.0
441.33453	1.2
449.30444	9.6
455.31567	100.0
456.31821	11.9
467.31567	16.0
468.31622	2.0
485.32626	83.7
486.32956	12.9
496.34357	2.1
503.33688	44.1
504.33972	6.6
513.47229	1.2
521.34943	2.0
530.32465	1.2
643.34430	2.1
644.34723	1.3
698.48291	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	697.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71177	0.7
52.89136	0.8
53.03956	2.2
55.05514	4.6
57.03452	0.9
57.07088	1.2
65.03941	1.5
67.05511	12.6
69.03430	7.4
69.07079	7.8
71.04987	1.5
71.30824	1.0
73.02903	0.7
77.03934	1.1
78.41069	0.7
79.05501	9.1
81.03427	2.8
81.07062	18.9
81.07520	1.2
83.04987	3.3
83.08635	3.2
85.02914	3.4
85.06564	2.1
91.05477	12.0
93.07050	18.3
94.07379	1.0
95.01331	5.8
95.04974	10.9
95.08611	46.1
96.08937	1.9
97.02914	1.5
97.06524	5.2
97.10192	1.2
98.96177	0.8
99.04458	2.8
99.08118	0.9
103.05455	1.7
105.07034	27.6
107.04969	1.4
107.08600	24.2
108.08961	0.8
109.02868	0.8
109.06535	4.4
109.10158	14.3
109.60200	0.8
111.08099	2.3
115.05482	1.9
117.07025	6.0
119.08584	49.7
120.08920	1.8
121.06527	4.7
121.10144	16.6
122.03675	0.9
123.08060	7.1
123.11705	4.2
125.09671	1.5
127.03918	1.5
127.07559	1.1
128.06267	2.4
129.07028	4.9
131.04930	1.0
131.08568	18.2
131.09483	1.3
132.08893	0.8
133.06526	1.4
133.10138	19.4
135.08044	6.0
135.11693	8.0
135.22104	0.8
137.05984	10.7
137.09641	4.5
137.13277	1.4
138.06429	0.8
141.01814	8.9
141.06987	2.0
142.07806	2.1
143.08562	12.0
144.09344	1.3
145.06461	1.2
145.10130	29.8
145.11266	1.8
146.10716	0.8
147.08037	7.0
147.11697	11.2
149.05974	1.0
149.09552	4.0
149.13261	5.6
151.03940	1.3
151.07545	1.5
151.11198	1.0
153.09096	1.1
155.08586	4.9
156.09348	2.5
157.10130	13.6
158.10927	1.0
159.08087	3.0
159.11687	18.7
160.12076	1.4
161.05997	1.5
161.09665	5.5
161.13251	12.2
163.07536	1.3
163.11253	2.2
163.14825	4.7
165.07040	0.9
165.09155	1.2
169.10117	4.9
170.10913	1.4
171.11694	9.8
172.12424	0.9
173.09702	1.6
173.13260	16.2
174.06676	0.8
174.13615	1.2
175.07520	2.7
175.11211	2.7
175.14842	11.4
176.15175	1.1
177.09161	0.9
177.12817	3.0
177.16432	3.3
179.10684	1.1
179.14320	1.8
181.10168	1.3
182.10950	1.3
183.11708	5.2
185.13254	7.0
187.07619	2.1
187.11189	1.4
187.14828	33.0
188.15219	1.3
189.09143	1.3
189.12787	5.6
189.16376	7.5
190.16682	1.5
191.14282	4.4
195.11743	2.9
197.13264	5.2
199.14830	11.3
201.12801	1.6
201.16379	11.4
202.16754	1.0
203.14328	34.3
203.17952	1.8
204.14709	1.7
205.12125	1.1
205.15892	10.0
209.13385	1.2
211.07381	0.8
211.14839	5.2
213.12614	1.5
213.16341	10.5
213.17909	0.8
213.93210	0.8
215.14311	5.6
215.18024	2.8
217.15871	8.9
219.17473	2.3
221.13319	1.3
221.15379	1.6
223.14812	2.1
225.16351	2.2
227.14348	1.6
227.18016	3.4
229.15814	6.7
229.19501	1.3
231.17444	6.3
233.15401	3.5
237.16592	1.0
239.17943	1.6
241.15968	1.5
241.19586	1.1
243.17381	1.0
245.15448	1.4
245.18944	1.1
247.14680	1.0
247.16928	2.6
249.14888	1.2
251.17993	1.8
253.19504	2.6
255.17468	1.4
259.17123	1.4
265.19547	1.8
267.21072	1.2
281.19009	1.7
281.22552	1.4
283.20605	1.1
287.05490	8.4
325.25146	1.2
334.53647	1.0
347.27347	1.1
385.28922	2.0
391.30203	1.7
403.29926	6.5
404.30200	1.1
405.31650	4.0
419.29617	2.1
421.31082	10.0
423.32843	4.8
431.29504	4.1
437.30502	1.8
439.31982	4.5
441.33441	1.4
449.30576	8.9
455.31573	100.0
456.31985	12.8
467.31537	17.5
468.31787	1.8
485.32645	79.5
486.33136	10.6
496.34094	3.4
503.33652	36.7
504.33905	6.0
521.34760	3.4
525.18524	0.9
643.34259	3.2
697.23749	1.7
697.41406	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	697.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34915	0.9
53.03942	1.3
55.01870	1.4
55.05511	5.4
57.03440	0.9
57.96779	0.9
65.03944	2.0
67.05508	13.6
69.03417	5.3
69.07075	7.3
69.35732	5.4
79.05489	8.6
81.03412	1.8
81.07052	20.3
82.07430	0.9
83.05007	2.0
83.08612	2.6
83.09310	1.0
85.02911	4.0
91.05475	14.8
93.07042	20.7
93.07617	1.4
95.01309	7.5
95.04971	10.1
95.08604	51.1
96.08929	1.1
97.06519	3.5
97.10125	1.0
99.04453	3.0
105.07026	27.2
107.08588	29.0
108.08997	1.0
109.06551	4.4
109.10156	14.5
111.08075	2.4
115.05452	1.8
117.06972	6.1
119.08579	53.3
120.08971	1.3
121.06504	4.1
121.10139	18.3
123.08073	5.9
123.11710	4.2
125.05994	1.4
128.06232	2.0
129.06989	5.6
130.07748	1.9
131.08580	22.1
133.06523	1.9
133.10126	22.4
134.10422	1.1
135.08064	5.5
135.11688	10.7
137.05966	1.3
137.09587	4.4
141.01814	9.1
141.07002	1.6
142.07799	2.7
143.08562	15.2
144.09302	1.2
145.06511	1.0
145.10115	33.6
145.11256	1.9
147.08043	8.5
147.11664	14.0
149.09535	4.8
149.13268	5.2
151.11183	1.7
153.06960	1.0
153.09126	1.4
155.08595	3.9
156.09341	2.8
157.10121	14.9
158.10883	2.1
159.08092	2.2
159.11678	19.4
161.09654	7.6
161.10805	1.3
161.13258	12.9
163.07555	1.5
163.11182	2.4
163.14815	5.4
165.07054	1.0
165.12691	1.4
167.08568	0.9
169.10118	5.9
170.10918	1.4
171.11681	11.2
172.12440	1.1
173.09613	1.9
173.13283	16.3
175.11250	4.6
175.14854	13.4
177.12804	3.7
177.16399	3.8
178.16647	1.0
179.14305	1.6
181.10143	1.6
182.10999	1.6
183.11670	6.5
184.12494	1.5
185.13242	10.7
187.14818	45.2
188.15182	1.5
189.12762	4.6
189.16394	10.0
191.14285	6.2
195.11699	2.5
197.13281	6.8
199.14828	14.5
201.12715	3.0
201.16368	16.6
203.14311	43.2
203.17943	1.9
204.14684	2.7
205.15865	11.6
209.13315	1.9
211.14789	5.4
213.12798	1.4
213.16391	13.6
215.14346	6.9
215.17897	4.3
217.15887	12.4
219.13870	1.7
219.17409	1.7
223.14861	2.7
225.16408	3.3
227.17992	3.8
229.15752	6.3
231.13873	1.8
231.17499	5.6
233.15376	3.4
237.16313	1.5
239.17883	3.0
241.19560	2.3
243.17596	2.7
245.15370	2.1
247.16985	3.0
249.14670	1.2
251.18047	1.9
253.19545	2.8
255.17451	1.8
257.19019	1.4
259.17072	1.5
265.19434	1.9
271.20880	1.1
277.19592	1.3
307.24039	1.9
361.25183	1.0
371.26276	1.0
375.30878	1.2
391.29932	3.1
392.02475	0.9
403.30032	5.8
405.31760	2.4
407.29358	1.8
409.31122	2.1
419.29211	1.6
421.30823	10.1
422.31534	1.1
423.32632	3.6
431.29504	2.2
435.28745	2.1
437.30569	2.2
439.32114	4.4
449.30554	7.4
453.29800	1.5
455.31552	100.0
456.31747	10.4
467.31503	14.2
468.32117	2.0
469.29468	10.8
470.29663	1.3
481.29385	1.8
485.32635	73.4
486.32980	8.4
499.30487	7.2
503.33701	39.9
503.41000	2.4
504.34143	4.3
517.31622	17.0
518.31952	1.9
521.34698	1.2
643.34778	2.3
644.34534	1.4
665.24945	1.8
697.41876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.3
67.05521	11.7
69.03437	2.7
69.07063	7.0
69.08644	2.2
69.79664	8.5
79.05486	11.5
81.03445	2.4
81.07069	18.2
82.02145	1.9
83.05009	3.7
84.08611	1.8
85.02914	4.8
87.24325	2.0
91.05479	12.6
93.07042	18.1
95.04985	4.6
95.08610	44.1
97.02884	3.1
97.10175	3.8
105.07034	26.5
107.08601	26.5
109.02878	2.4
109.06539	3.5
109.10162	14.0
111.04494	3.0
111.08115	2.9
115.05466	2.8
117.07053	5.2
119.08591	40.2
119.17278	2.4
120.08947	4.0
121.06538	6.3
121.10155	14.3
123.08095	5.3
123.11722	4.1
125.06009	3.4
127.03898	2.8
129.07030	4.8
131.08557	22.5
133.10143	21.5
135.08092	7.2
135.11719	8.5
137.06000	6.8
137.09648	6.7
142.07797	4.0
143.08565	16.1
144.09401	2.0
145.10136	35.1
147.08081	7.2
147.11687	12.7
149.09610	3.1
149.13232	5.4
151.07565	5.7
155.08577	4.9
156.09364	4.1
157.10129	16.0
158.10951	3.0
159.11668	21.2
160.95494	2.4
161.09581	4.4
161.13281	10.2
163.07576	2.0
163.14825	5.0
168.09399	2.3
169.10146	6.9
171.11697	13.0
173.09641	4.3
173.13306	17.3
175.11188	4.0
175.14871	12.2
177.16434	2.7
183.11746	9.2
185.13252	13.2
187.14842	61.0
188.15228	4.2
189.09152	2.9
189.12756	4.8
189.16406	9.4
191.14215	3.2
195.11745	2.5
197.13321	5.5
199.14839	12.3
201.12859	5.2
201.16356	12.6
203.14348	51.5
203.17961	3.2
205.15948	13.6
209.13374	2.8
211.14828	3.5
213.16437	11.2
215.14331	4.8
215.17944	5.2
217.15848	6.5
219.13835	3.1
220.31970	2.2
223.14832	3.2
225.16508	2.3
227.14371	3.7
227.18002	4.4
229.12227	3.4
229.16016	3.9
231.13846	2.5
231.17467	2.6
233.15309	4.4
239.17981	3.4
241.19458	3.3
245.15472	2.9
249.14709	2.3
253.19652	3.1
264.75616	2.6
287.05560	8.9
309.25775	6.9
353.24631	4.2
371.25870	3.3
389.28448	5.1
391.30072	4.5
405.27969	4.1
407.29431	7.9
417.28094	4.8
419.29480	4.7
435.28952	13.4
437.30682	6.8
451.28506	5.4
453.30063	12.1
455.31552	50.3
456.31906	4.7
463.28119	5.4
469.23068	4.2
469.29596	72.0
470.29855	5.8
481.29626	10.3
487.30466	7.9
499.30640	35.7
500.30957	2.5
517.31622	100.0
517.39435	4.8
518.32141	11.3
521.66046	2.7
697.41559	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	697.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38932	2.9
67.05495	10.0
69.07074	5.8
69.07729	25.8
73.46765	3.1
79.05521	4.0
81.03401	4.2
81.07063	14.9
83.08640	3.8
91.05490	14.8
93.07061	8.9
95.08603	35.9
98.23348	8.0
103.05477	3.1
105.07030	20.1
107.08599	21.5
109.06525	5.1
109.10170	11.9
115.05446	4.2
115.07294	3.1
117.07066	3.7
119.08569	40.2
121.06488	5.9
121.10165	7.9
123.08063	3.1
129.07053	4.9
131.08591	19.8
133.10130	18.3
135.08098	4.9
135.11708	8.0
137.05988	29.1
137.09575	7.4
143.04907	7.2
143.08585	12.1
145.06554	4.2
145.10144	29.2
147.08067	6.3
147.11685	11.2
149.13272	4.0
151.07564	3.3
155.08618	3.8
157.10193	10.4
159.11703	20.4
161.05969	5.3
161.09663	4.2
161.13255	6.7
167.07022	6.8
169.10100	5.8
171.11678	5.3
173.13275	11.9
175.07532	6.2
175.11279	4.4
175.14816	7.7
177.16539	4.0
179.14455	3.2
183.11676	6.0
185.13271	13.7
187.14822	60.7
188.15196	3.6
189.12791	5.7
189.16470	4.0
195.11833	3.2
197.13153	3.4
199.07504	3.5
199.14836	14.3
201.12750	5.5
201.16386	11.6
203.14323	42.3
205.15833	6.9
213.16382	11.6
215.14224	4.5
217.15881	6.8
227.17960	5.2
229.15958	4.0
231.13782	4.2
233.15437	5.9
239.18051	3.9
253.19630	4.5
275.46927	3.4
309.25812	9.7
389.28259	4.0
407.29517	9.2
417.27682	5.4
430.71692	3.3
435.29047	14.3
451.28442	6.6
453.30145	10.3
455.31607	48.0
456.31744	5.3
469.29578	54.8
470.29330	3.4
481.29373	10.7
499.30380	37.7
500.30899	3.7
509.26007	3.3
517.31616	100.0
518.31940	10.6
548.24164	4.3
697.25012	5.6
697.40900	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	698.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01874	25.6
55.05511	10.8
57.03436	7.9
57.07060	3.5
59.05005	4.1
61.02916	5.1
65.03941	4.2
67.05508	10.8
68.99792	13.5
69.03424	30.7
69.07060	10.4
69.21021	2.9
69.21423	6.6
70.06597	2.6
71.01349	3.7
71.04993	23.1
73.02924	6.7
79.05487	14.8
81.02978	2.4
81.03416	28.5
81.07056	30.9
83.01340	19.6
83.04982	7.0
83.08637	7.7
84.02118	1.3
85.02901	36.7
85.06546	4.8
87.00822	19.8
87.04479	5.6
90.87587	1.3
91.05478	13.8
93.07039	25.3
95.01320	1.8
95.04964	100.0
95.08592	11.9
96.05299	2.4
96.95208	1.3
97.02885	19.9
97.06525	8.5
98.23406	2.4
99.04447	22.5
100.11249	12.1
101.02381	5.5
103.05452	2.2
105.01855	7.1
105.07027	34.2
107.04949	1.5
107.08591	33.8
107.09282	2.3
109.02883	32.4
109.06519	37.7
109.10152	28.7
111.00796	36.0
111.01537	2.5
111.04474	1.5
111.08091	4.2
115.03900	8.1
115.05431	2.7
117.01865	2.3
117.06997	2.2
119.03419	1.7
119.08572	21.3
121.06499	1.6
121.10136	22.9
123.08072	7.1
123.11713	13.1
125.09648	2.5
127.03906	42.1
129.01843	17.0
129.06964	2.3
131.04944	2.3
131.08556	16.8
133.10124	82.5
134.10443	2.7
135.08035	11.7
135.11691	9.5
137.05968	2.9
137.09599	1.6
139.11174	3.5
141.01830	5.1
143.03389	17.2
143.08586	5.2
143.10719	2.2
144.09351	1.9
145.04980	11.5
145.10110	13.4
147.02888	3.8
147.11694	14.3
148.34213	1.4
149.09636	4.0
149.13246	25.3
149.14336	2.3
151.11191	7.9
153.09100	23.9
157.01311	6.4
158.10921	6.8
159.02847	7.8
159.11626	2.9
161.04478	5.2
162.12018	1.5
163.03900	1.7
163.11142	3.2
163.14854	1.8
165.12767	4.0
167.14297	6.2
171.02879	30.0
171.10162	2.6
171.11647	2.5
172.03212	1.4
173.13257	61.7
174.13689	2.8
175.14822	2.4
177.12752	1.8
182.15382	2.3
189.03934	12.7
191.14302	84.1
192.14668	4.8
195.03052	1.5
201.58557	1.4
205.15932	2.0
209.15326	32.2
210.14989	4.6
211.15320	1.5
213.03928	7.2
217.15840	4.8
227.16519	2.2
231.04999	10.0
235.16843	6.2
249.05992	3.5
253.17961	2.8
257.02908	28.3
275.03946	35.0
276.04181	1.7
287.05551	3.8
288.05832	4.1
293.05038	1.5
317.05106	4.3
320.61996	1.4
347.06046	3.9
383.05942	6.2
386.86319	1.7
401.07065	21.7
402.07312	1.6
419.08179	33.7
420.08713	2.7
435.07376	1.6
437.09308	3.0
482.75076	1.3
498.44836	1.4
585.64661	1.5
697.52228	9.0
698.52582	8.7
699.26935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.9
57.03430	6.0
57.07073	17.5
61.02933	24.2
67.05171	3.9
67.05505	37.8
67.26399	2.0
68.35313	2.0
69.06728	3.9
69.07072	51.1
71.08632	14.2
73.02920	11.3
75.04471	3.4
79.05502	16.0
81.07059	43.5
83.08624	38.2
85.02912	26.7
85.06569	3.8
85.10162	7.6
88.04833	2.6
91.03962	29.0
92.75208	2.2
93.07043	23.7
95.08607	45.9
97.02890	12.2
97.06505	8.3
97.10186	23.0
98.22532	4.7
107.08596	15.5
109.10162	25.2
111.08089	7.2
111.11737	7.1
113.05976	3.4
121.10152	39.5
123.11663	6.4
125.09635	3.7
127.03905	8.5
127.78642	2.7
135.11697	26.5
137.13217	3.3
139.11160	2.7
145.04973	12.8
149.13274	13.8
151.14841	4.7
153.12769	3.2
163.06017	16.9
163.14819	3.8
165.16397	5.5
177.16444	4.2
191.17874	2.6
247.24239	40.4
265.25256	94.3
266.25717	4.6
283.26276	25.3
286.12152	2.4
339.28934	100.0
340.29178	8.2
357.30005	43.5
358.30380	3.6
484.53186	2.5
501.34375	4.2
544.27747	2.8
575.22223	3.7
631.96643	3.4
635.25049	5.0
667.23645	4.7
698.39728	6.9
699.40741	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01854	1.5
55.05511	27.3
57.03436	8.6
57.07081	11.5
61.02930	30.4
65.03963	1.5
65.16186	1.2
67.05505	33.3
69.03422	4.2
69.07069	46.4
69.22511	8.1
71.04994	2.8
71.08635	8.5
73.02924	11.0
75.04487	2.7
79.05496	14.3
81.06580	2.2
81.07060	45.0
83.08620	39.7
85.02909	29.9
85.06546	2.2
85.10186	3.8
91.03957	27.0
91.05495	2.5
93.07040	17.3
95.08610	48.2
96.08907	1.2
97.02891	15.6
97.06525	8.2
97.10172	27.2
98.23347	1.9
99.04435	1.5
99.08106	2.2
105.06947	1.3
107.08606	16.3
109.10162	21.4
111.08112	5.0
111.11694	9.4
112.08613	1.2
113.09582	1.2
115.03867	1.3
121.10152	37.8
121.11021	2.3
123.11707	8.8
125.09618	2.4
125.13247	1.8
127.03935	9.9
135.11696	28.5
136.12030	1.3
137.13263	4.3
139.11176	2.7
143.14371	1.3
145.04965	14.5
149.13255	10.9
151.14838	5.1
152.84909	1.2
163.06013	23.9
163.14833	4.7
165.16411	4.9
177.16418	3.5
191.17900	1.5
199.20580	1.5
222.00868	1.3
241.68942	1.1
243.06720	1.2
247.24217	31.9
248.24529	2.6
265.25272	100.0
266.25626	8.8
283.26318	17.7
284.26855	1.3
339.28949	87.5
340.29312	9.2
357.29974	49.6
357.34430	2.4
358.30289	6.7
372.28369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80104	0.4
56.36036	0.4
69.16786	3.4
79.05515	0.5
81.07043	0.4
91.05465	0.4
93.07046	0.4
103.11423	0.4
118.06556	0.8
120.08085	0.7
169.07677	0.4
183.09248	0.6
197.10765	0.6
207.09309	0.6
209.10818	1.4
210.11546	0.9
211.12364	0.5
221.10774	1.2
222.11539	1.0
223.08591	0.7
223.12328	1.5
224.13194	0.6
225.10277	0.5
225.14006	1.4
233.10783	0.4
234.11691	0.4
235.12277	2.0
236.13344	0.4
237.10248	0.7
237.13879	2.3
238.14497	0.6
239.11726	0.5
249.10327	0.5
249.14076	0.9
251.11577	0.5
253.09891	0.4
253.13243	0.6
257.68335	0.4
264.12585	0.4
265.09723	0.8
281.13049	0.4
283.11026	0.4
293.09354	0.5
295.14459	1.5
302.13089	0.5
313.12039	0.5
314.12827	0.7
338.12964	0.5
340.10718	0.5
342.12537	0.5
350.13046	0.5
354.12537	1.0
355.13196	0.4
364.14371	0.5
367.13126	0.4
383.12494	0.4
387.12207	0.5
388.17294	0.6
400.13406	0.4
401.18018	0.6
402.14359	0.7
403.15485	1.4
413.17953	0.6
414.15005	0.8
415.15628	1.3
416.15894	0.8
417.17114	1.4
426.14642	0.6
427.16156	0.6
429.17142	0.9
430.18326	0.7
431.18921	2.1
432.15967	0.4
433.20581	0.7
441.17014	1.1
442.18628	0.6
443.15134	2.2
444.15515	0.6
445.20450	1.4
446.21494	0.7
449.20078	0.7
457.15738	2.0
458.17188	1.9
458.22110	0.9
459.17926	1.3
459.22903	0.6
461.19821	0.7
463.21674	0.7
469.16391	0.7
471.21780	1.7
472.19135	1.2
473.19971	4.8
474.20499	2.0
475.21127	1.2
477.19315	0.6
485.16232	1.1
486.16837	1.3
487.21872	5.1
488.22598	2.9
489.19138	0.6
489.22437	0.4
490.19846	0.7
491.20996	0.7
499.22101	2.9
500.18335	0.8
501.19241	8.7
502.20016	2.5
503.20581	0.8
505.22440	0.6
515.20837	9.2
516.21582	9.4
517.22479	3.1
519.23926	1.7
520.24164	0.5
527.20538	0.7
531.24683	0.5
533.22034	3.3
543.20331	1.4
545.17944	0.7
547.23468	3.5
548.24121	0.7
551.26636	0.7
557.21973	1.1
561.21234	0.9
575.22937	10.3
576.23572	2.4
579.26031	1.6
603.22589	0.7
607.25403	4.6
608.25641	1.6
609.23407	0.7
617.23602	1.0
630.40308	0.4
635.25000	100.0
636.25281	16.2
638.26526	0.4
639.28064	1.1
649.26642	2.9
650.26343	0.7
667.27777	5.3
668.27911	0.9
699.30536	1.3
699.44373	1.2
700.31091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37486	2.3
55.01852	2.6
61.76002	2.3
63.51632	2.2
65.42718	2.0
69.07061	4.3
69.12404	16.9
81.07070	4.8
91.05481	3.0
92.05053	2.4
93.07032	3.9
95.08653	2.7
98.23378	4.6
133.10143	3.2
135.11705	2.8
180.14421	2.4
195.09213	6.8
196.09976	3.2
197.10817	5.1
209.10796	11.7
210.11403	6.5
211.08620	3.0
211.12271	5.1
212.12959	2.7
223.08508	5.0
223.12192	12.1
224.09511	11.7
224.12968	11.4
225.10231	7.7
225.13867	22.3
226.14624	5.1
233.07346	2.4
236.09474	2.8
237.13916	3.8
251.08002	2.4
251.11800	6.7
252.12726	2.8
253.13350	21.8
256.12064	3.0
257.09375	2.8
263.30658	2.4
264.26807	2.9
265.09732	2.3
269.12823	3.1
279.07953	2.6
279.11414	5.5
289.06055	5.4
291.07779	3.3
329.11325	4.9
365.07617	3.2
367.34644	2.3
420.66211	2.4
457.16101	3.1
477.19119	3.7
487.21985	3.2
499.18103	3.9
505.22195	4.3
510.16949	3.5
515.20172	4.8
515.72223	3.0
517.19086	3.5
529.22174	7.7
542.18909	6.8
543.20245	5.8
557.21692	7.2
558.22345	2.8
573.25275	6.2
585.21191	8.7
617.23889	68.4
618.24384	10.7
635.24646	6.5
639.27350	4.4
649.26538	71.3
650.26636	11.0
667.27625	100.0
668.27203	12.4
699.45001	5.7
720.34430	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	699.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64845	0.8
67.05511	2.7
73.06274	0.7
75.04475	5.8
79.05506	3.6
81.07066	3.0
91.05475	2.1
93.07056	3.1
93.98025	0.8
94.06593	0.8
95.08632	1.9
106.06573	2.6
108.08118	0.9
109.10164	1.0
118.06482	1.0
119.08588	1.1
120.08138	1.3
121.10126	1.4
134.06013	7.9
148.07642	0.9
150.09102	1.0
161.13292	0.9
178.05127	1.5
185.07092	1.7
190.25330	0.9
201.10292	1.5
209.10797	1.0
211.08653	1.0
211.12341	1.1
213.46371	0.8
221.28096	0.8
223.12408	1.2
225.10330	2.6
225.14000	0.9
227.11943	1.4
233.30760	1.0
239.08270	1.6
239.11903	1.7
240.12680	1.6
240.66803	1.0
241.13396	1.5
249.10381	1.7
249.13911	1.0
251.08311	1.3
253.13397	1.9
255.15067	3.2
264.12668	1.0
265.09763	1.3
265.13312	0.9
267.15152	0.8
275.08286	1.5
276.48080	1.1
279.14780	1.0
288.11508	1.0
289.65881	0.9
297.12280	1.7
298.13501	0.9
300.11841	1.2
301.12231	1.3
302.12952	1.0
303.07745	1.0
304.08417	1.0
309.08755	1.0
312.11597	1.4
314.13016	2.2
324.11465	1.2
324.15231	1.1
325.11938	2.3
326.12888	1.6
328.10760	1.1
328.14590	1.2
330.12241	1.4
330.15903	1.0
338.12793	1.5
340.10895	1.2
340.14633	1.9
341.11560	1.2
342.12360	1.7
352.10797	0.9
354.12387	2.4
356.14111	2.2
358.15738	1.1
360.13602	0.9
366.12201	1.6
368.14008	1.7
370.15759	1.3
372.13498	1.4
380.14206	1.6
382.11703	1.8
382.16052	1.2
387.16202	0.9
391.15750	0.9
395.12491	1.2
398.15613	1.5
399.15576	1.2
400.16568	1.3
402.14737	1.1
403.15796	1.5
408.13406	1.3
412.12949	1.0
415.15494	1.1
416.16077	2.9
417.17010	2.7
418.17523	1.1
420.15692	1.0
430.17938	1.8
431.18964	1.7
432.19482	1.5
440.16278	1.3
441.17041	1.1
443.14523	1.4
444.15540	1.1
445.16183	1.6
446.17065	1.0
455.19281	1.0
457.16681	2.7
458.17136	2.1
459.17813	1.8
460.19086	1.4
461.19391	1.1
468.15881	1.0
472.19385	1.1
473.20416	4.0
477.19394	2.6
484.18491	1.5
485.15887	1.2
486.16653	1.7
487.21329	3.0
488.21863	1.8
489.19412	1.1
490.20099	3.1
491.20728	3.3
493.22406	1.0
499.17868	1.1
500.18689	1.6
501.19235	3.6
502.19321	1.1
505.17853	0.8
505.22598	1.4
515.20782	3.2
516.21606	3.2
517.19751	1.4
518.19592	2.9
519.20905	1.6
521.22656	1.2
532.21002	1.6
533.21814	4.5
535.19910	1.6
537.25342	1.6
543.20245	2.4
547.23322	6.4
548.23749	2.7
557.21906	1.3
561.21680	1.2
565.24164	1.7
575.22711	3.3
579.26257	1.5
589.24866	1.0
592.23132	5.1
593.23694	2.2
607.25397	5.3
617.24017	8.2
618.24445	1.4
625.26904	1.8
635.25049	12.8
636.25427	3.1
639.28424	6.1
640.28430	1.2
649.26544	17.9
650.26965	2.9
667.27612	100.0
668.28229	19.9
669.26434	1.4
681.29437	2.6
699.30200	32.2
699.43323	4.7
700.30566	6.7
700.43817	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.0
69.16329	12.7
73.36207	1.6
75.04478	5.2
78.49912	1.7
79.05495	3.1
81.07057	1.7
86.09708	1.9
91.05450	1.8
95.08611	3.7
98.23434	1.9
104.27514	1.9
105.07031	2.6
106.06535	1.8
107.08635	2.0
123.11658	1.6
134.06012	9.3
136.64276	1.5
138.43207	1.5
149.66136	1.5
201.10179	1.7
209.10718	1.7
211.08604	1.9
227.11646	1.7
237.13918	2.0
240.25726	1.9
253.13391	2.1
255.14886	4.1
287.14288	1.8
314.12958	3.5
316.95590	1.7
324.11108	2.0
338.12903	1.9
342.12271	2.6
356.14102	2.2
403.15530	2.4
416.16006	2.5
426.14612	2.2
441.16327	2.4
445.15186	2.2
458.17343	4.0
473.19852	3.2
487.21164	2.8
489.19211	2.6
505.21585	2.2
516.20471	1.9
518.19086	2.7
547.23120	2.1
575.22668	4.7
592.22980	9.4
596.21912	3.0
607.25781	3.6
617.23926	15.5
625.26147	5.7
626.26404	2.3
635.24701	7.3
639.27570	6.7
645.38885	1.8
649.26740	14.8
667.27631	100.0
668.28064	19.5
699.29767	41.4
699.42816	12.0
700.31018	8.4
700.41376	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52399	0.8
105.58029	0.2
109.53449	0.1
128.07814	0.1
142.84509	0.2
185.04308	0.6
187.90459	0.1
196.64682	0.1
203.05254	0.2
259.07980	0.4
275.16077	0.2
301.20383	0.2
305.08649	0.2
319.21063	0.2
347.09470	1.4
375.25162	0.3
400.68872	0.1
421.13156	0.2
478.61786	0.2
537.30365	15.0
538.30725	1.7
550.51263	0.2
699.35590	100.0
700.35883	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	699.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01868	2.3
55.05497	5.4
56.05814	1.4
57.03440	3.5
59.05001	1.5
60.95637	1.6
65.03936	2.6
67.05505	16.0
69.03439	15.0
69.07072	7.9
70.06594	9.1
70.12207	1.3
71.04987	6.5
71.79784	1.5
73.02920	1.5
74.15740	1.5
77.03933	1.6
79.05492	16.2
81.03425	4.4
81.07060	30.7
83.04984	4.9
83.08610	3.4
84.08142	1.8
85.02908	23.8
86.09720	5.1
87.04494	1.5
91.05482	25.2
92.05814	2.1
92.34066	1.3
93.07045	28.8
93.85004	1.3
95.04974	14.7
95.08604	34.0
97.02901	4.9
97.06532	5.9
97.10175	2.0
99.04466	2.4
103.05476	3.6
105.04507	1.4
105.07034	62.6
106.07385	2.5
107.04965	3.1
107.08596	35.7
108.08914	1.6
109.02888	2.1
109.06534	9.0
109.10144	20.1
111.08062	4.0
113.05980	3.6
115.05450	3.6
117.07022	13.6
119.04940	1.9
119.08582	56.1
120.08890	1.6
121.06507	15.4
121.10159	18.0
123.08113	7.1
123.11703	4.4
127.03931	3.8
128.06213	4.9
129.07027	15.0
130.07794	5.0
131.04939	6.8
131.08575	51.4
132.08859	2.6
133.06532	7.5
133.10127	32.2
135.08052	15.8
135.11696	9.5
137.05974	32.1
137.09605	4.2
139.05345	1.5
141.06993	4.4
142.07784	12.8
143.08571	35.8
143.11781	1.7
144.09280	4.3
145.05005	1.8
145.06477	3.1
145.10121	80.4
146.10455	2.9
147.04402	2.2
147.08061	19.6
147.11699	19.7
149.05997	1.7
149.09612	7.8
149.13344	7.2
153.06999	1.7
155.08557	11.6
156.09355	9.7
157.10133	45.8
158.10820	5.0
159.08072	7.2
159.11697	50.4
160.08624	1.5
161.06021	7.7
161.09612	27.6
161.13258	19.4
162.09923	3.1
163.07545	11.1
163.11185	4.3
163.14835	3.5
165.05568	2.1
165.09152	1.9
167.07068	6.3
167.08467	2.4
168.09358	4.1
169.10121	19.3
169.13414	2.1
170.10913	10.1
171.08054	1.5
171.11693	31.2
172.12251	3.9
173.09653	6.8
173.13263	48.6
174.13632	2.9
175.07581	16.5
175.11116	7.9
175.14798	14.6
175.16043	1.8
177.12672	3.6
177.16414	1.6
181.10115	5.4
182.10922	2.8
183.11697	21.6
184.12230	2.0
185.09637	3.5
185.13260	70.3
186.13683	4.2
187.07555	3.3
187.11244	8.5
187.14824	44.3
188.15089	3.0
189.09102	5.2
189.12776	34.2
189.16376	4.4
191.14316	13.3
195.11714	5.4
197.13255	18.2
199.07555	2.6
199.11139	1.8
199.14812	41.5
200.15150	2.5
201.12744	19.3
201.16360	16.6
203.14314	50.7
204.14748	3.0
205.12144	2.8
205.15775	7.1
207.11823	1.9
208.71478	1.5
209.13258	5.9
211.14818	12.4
213.12752	5.7
213.16394	10.7
214.16658	1.8
215.14296	18.5
215.17804	2.6
217.12401	1.8
217.15866	19.4
218.16266	2.8
219.08131	2.8
219.11682	2.6
219.13805	25.8
219.17288	3.4
221.13409	2.6
221.15306	9.4
223.14807	5.5
225.16422	4.7
227.14317	4.6
227.18028	3.3
229.15894	9.9
231.13826	7.9
231.17427	6.5
233.15430	5.2
235.16924	1.7
237.16377	3.1
239.17978	2.9
241.15958	2.4
243.17464	3.8
245.15448	4.4
245.71941	1.5
247.07484	1.9
247.16910	5.2
249.16431	2.3
251.10754	3.7
251.18088	2.1
263.16449	2.8
271.42859	1.7
272.15982	1.7
277.19592	1.7
279.10358	1.9
309.11319	1.6
311.12698	9.1
323.12756	5.0
325.14249	2.3
345.13068	1.8
345.25613	2.2
363.26755	1.6
369.24377	1.9
371.27286	3.1
377.28326	2.0
387.25650	1.5
389.28430	9.9
390.28772	1.9
391.29913	2.6
401.28406	10.6
403.30222	1.8
407.29459	16.6
408.29108	1.9
409.31418	2.2
417.27817	5.8
419.29446	14.8
421.31012	2.8
425.30469	8.8
429.27954	3.3
435.28952	19.9
436.29263	2.7
437.30472	14.2
438.31006	2.3
447.28979	14.2
453.30032	19.2
455.31418	6.8
462.22397	1.5
465.30002	27.1
466.30490	2.8
471.31064	92.6
472.31223	12.0
473.32220	1.7
483.31012	30.0
484.31796	3.2
501.32095	100.0
502.32315	13.9
519.25757	2.7
519.33185	39.2
520.33679	3.8
537.34106	2.8
537.52057	1.7
617.36621	3.1
633.35736	5.4
647.37488	2.7
663.37476	4.3
699.28229	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	699.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01865	2.8
55.05503	10.8
57.07078	2.0
61.02942	3.6
65.03925	2.6
67.05497	12.1
69.03426	14.5
69.07083	9.7
70.06579	9.3
71.04984	2.8
79.05486	19.0
81.03408	4.9
81.07058	30.5
83.04972	6.5
83.08613	2.8
83.51797	1.6
85.02901	22.9
86.09723	3.1
91.05485	25.7
93.07053	28.4
95.04973	10.8
95.08603	30.4
95.09164	2.7
97.02895	6.2
97.06527	6.3
99.04452	3.5
103.05473	3.8
105.07027	60.2
106.07358	1.5
107.04972	12.4
107.08593	32.1
108.08880	1.8
109.02850	3.2
109.06522	6.5
109.10160	14.2
111.08083	5.9
113.05997	6.8
115.05448	3.9
117.07034	16.6
119.04960	2.2
119.08583	62.3
120.08861	2.2
121.06514	19.6
121.10152	13.2
123.08083	6.7
123.11700	3.6
127.03931	3.9
128.06241	5.1
129.07024	12.7
130.07808	2.2
131.04924	5.5
131.08571	69.0
132.08907	1.8
133.06456	7.8
133.10129	30.6
135.08049	15.8
135.11719	8.0
137.05972	11.2
137.09634	2.3
141.06953	4.3
142.07759	10.5
143.08563	47.3
144.09331	4.5
145.05013	1.8
145.06516	2.2
145.10126	100.0
146.10503	5.6
147.08051	24.5
147.11676	20.4
149.05986	3.3
149.09608	7.0
149.13286	6.2
154.07796	1.6
155.08522	12.3
156.09351	8.5
157.10138	45.9
158.10861	5.6
159.08051	8.2
159.11694	55.9
160.12024	1.8
161.05945	2.2
161.09633	39.4
161.13263	18.9
162.10008	2.3
163.07570	5.2
163.11240	7.2
163.14735	2.8
165.05547	2.9
165.06935	2.1
167.07062	3.1
167.08543	2.2
168.09366	4.9
169.10147	17.7
170.10886	7.3
171.11694	26.8
172.12314	1.7
173.05991	1.5
173.09673	7.2
173.13261	55.2
174.13705	2.9
175.07530	2.4
175.11191	11.3
175.14812	17.8
177.09052	1.7
177.12756	5.2
177.16412	2.1
179.14265	1.9
181.10062	4.3
182.10907	3.6
183.11690	26.1
184.12276	2.5
185.09660	3.3
185.13252	71.0
186.13641	5.8
187.11238	6.7
187.14819	69.9
188.15213	4.8
189.12753	45.8
189.16412	5.7
190.12979	2.3
191.14323	24.7
193.10159	1.9
194.10828	1.9
195.11681	6.6
197.13281	19.4
199.11182	4.1
199.14825	48.4
200.15169	2.7
201.12738	18.1
201.16360	20.2
203.14313	63.5
204.14674	4.5
205.15837	8.7
207.11720	2.4
207.13693	2.8
209.13289	6.1
211.14850	8.5
213.12732	6.6
213.16368	10.8
215.14322	23.6
215.17946	2.2
217.15907	29.5
218.16118	1.8
219.08109	1.9
219.13812	14.5
219.17361	2.2
221.13300	3.8
221.15395	14.8
223.14854	5.4
225.16510	4.9
227.14299	4.7
227.17940	4.6
229.15871	11.4
229.19588	2.2
231.13809	7.6
231.17392	4.0
233.15413	7.4
235.16956	2.3
237.16469	3.9
239.17995	3.2
241.16112	2.0
241.19406	2.2
243.17422	2.5
245.15419	6.8
247.16957	3.3
263.16476	5.4
310.12073	2.1
311.12787	2.9
345.13226	3.8
357.20932	2.0
371.27359	2.8
377.28415	3.6
382.74133	1.5
383.27527	2.9
389.28400	19.2
390.29013	3.1
391.30008	5.1
401.28384	10.2
403.29895	2.9
405.27640	2.0
407.29416	26.7
408.29797	3.9
417.27789	5.2
419.29425	18.2
421.30780	3.1
425.30521	17.4
426.31091	2.9
429.27786	3.7
435.28903	31.2
436.29178	2.4
437.30548	14.2
447.29034	15.4
453.30020	26.2
454.30441	6.3
455.31366	6.4
465.23724	2.8
465.29993	27.5
466.30032	2.1
471.30923	12.4
473.33444	2.7
483.31055	25.5
484.31375	5.0
501.32068	32.9
502.32184	4.9
514.09747	2.0
519.32965	5.8
560.32446	2.1
633.36096	2.3
663.37274	16.3
664.38129	1.9
699.22644	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	699.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38358	0.4
55.05453	1.7
56.96510	17.6
56.96811	1.7
67.05457	0.5
67.61285	0.4
69.02754	3.5
71.95203	1.7
72.95989	1.5
74.97583	0.6
79.77724	0.4
83.08548	1.7
84.95991	0.9
107.08539	0.5
110.97515	1.7
115.00666	0.4
123.01138	0.8
127.00668	0.5
127.03886	0.4
128.98602	2.0
137.02672	0.9
137.05905	1.0
141.02162	1.1
146.99568	0.5
155.03725	0.9
157.01556	0.5
159.03180	1.3
163.42078	0.5
169.01683	0.7
171.03221	1.6
173.04791	0.9
185.04845	1.2
187.02835	0.5
187.06302	0.5
189.04260	1.3
189.07922	1.5
195.06952	1.3
197.04805	0.5
197.08472	0.6
199.06425	3.7
201.07941	0.9
203.05884	2.3
205.07390	0.8
207.06981	0.9
207.08864	0.5
211.06384	1.8
213.07997	11.9
215.05841	0.6
215.09506	0.6
217.07460	5.5
218.04608	0.6
221.08455	0.8
223.10020	1.8
225.06387	0.4
225.08014	4.7
227.09460	1.2
229.07504	6.1
231.09048	14.2
232.09784	0.5
233.08347	0.5
235.06337	0.7
237.08035	2.2
239.09557	4.5
241.11131	12.3
243.09079	4.5
245.07013	0.5
245.10440	0.8
247.08482	4.1
249.07915	0.5
251.09502	8.9
253.11049	2.0
255.09030	4.8
257.10635	5.1
259.12180	13.4
261.10226	0.8
267.08917	0.5
269.10611	49.1
270.10925	2.0
271.12128	0.8
273.10153	2.4
285.09998	0.7
287.05527	2.3
287.11667	24.7
288.05853	0.7
288.11935	1.1
292.12115	1.9
309.17596	0.7
315.16229	1.6
323.18976	0.8
333.17358	19.6
334.17813	1.0
335.76300	0.5
339.18521	1.1
351.18436	42.5
352.18832	2.3
369.19479	100.0
370.19833	6.9
374.20044	1.8
387.20547	93.6
388.20831	5.6
392.21121	0.6
410.22183	6.9
411.22681	0.7
681.42389	1.0
699.43555	27.0
700.43854	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	7.5
59.04359	0.4
60.20438	0.5
69.53272	2.9
71.95227	1.4
84.95991	1.1
110.97542	1.9
128.98528	2.5
129.99356	0.6
131.04848	0.7
137.05952	0.8
143.00085	0.9
144.26988	0.5
146.99559	2.0
148.00357	2.1
160.00333	0.7
161.01254	0.5
161.98322	0.6
171.03241	1.3
173.04823	1.2
181.05295	1.0
183.06795	0.7
185.04808	1.3
185.08362	0.7
189.04260	1.3
197.01186	1.4
199.06403	5.5
201.00740	0.8
201.08008	3.2
202.05040	0.9
203.02171	0.6
203.05869	2.8
211.02850	0.7
211.06331	4.7
213.07915	1.3
215.02335	3.7
217.07445	9.4
219.08998	1.6
227.05902	1.7
229.07483	54.0
230.07809	2.3
231.08934	1.6
239.05804	1.5
240.06667	1.1
241.07350	1.5
243.08989	1.6
244.06155	0.7
245.06914	1.3
247.08534	48.7
248.08937	1.8
252.09010	2.6
257.06992	7.3
258.07751	7.9
259.08524	3.2
261.10049	2.3
270.10104	1.3
275.08057	2.2
276.08783	6.0
280.08588	0.6
309.17291	2.4
315.16364	0.7
333.17331	11.1
351.18442	19.4
352.18414	1.1
356.18930	0.6
369.19467	68.0
370.19742	5.4
374.20248	0.7
387.20538	100.0
388.20859	7.4
389.20648	0.7
392.21118	0.8
405.21848	0.7
410.22159	9.5
411.22156	0.8
468.32211	0.6
568.16760	0.6
699.43591	30.3
700.44269	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	699.48
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84061	0.8
54.87257	0.7
55.05521	1.8
55.30484	0.7
57.03432	1.9
63.61647	0.8
67.05515	5.2
69.07072	1.3
69.08887	4.6
69.09288	1.8
79.05515	2.5
81.07062	3.6
83.08604	0.9
89.19846	0.8
90.38356	1.0
91.05502	1.9
92.69769	0.8
93.07060	3.4
95.08630	3.7
98.22623	1.6
105.07082	2.6
107.08656	1.2
109.10177	1.9
111.08089	1.0
119.08638	0.8
121.10150	1.6
133.10176	1.0
157.24931	0.9
265.32693	0.8
278.98016	0.8
335.26010	1.3
365.23001	13.8
421.25439	4.5
422.26373	1.2
699.48059	100.0
700.48425	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	700.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	2.0
52.57446	2.6
53.03941	7.0
55.01873	32.9
55.05508	17.9
57.03429	6.8
57.07085	2.9
61.02903	2.3
65.03930	4.7
67.05502	30.3
69.02544	22.2
69.03424	15.4
69.07067	19.0
70.06560	2.4
71.04718	2.0
71.05003	22.5
77.03921	2.5
79.05492	38.1
81.03432	6.5
81.07059	88.5
82.07379	3.3
83.01337	10.0
83.04986	41.6
83.08615	8.4
85.02906	11.8
85.06544	11.7
87.00823	5.9
87.04468	5.4
91.05482	36.5
93.07045	83.7
94.06575	3.0
95.01326	3.8
95.04978	40.1
95.07332	2.6
95.08044	3.6
95.08614	49.7
95.09200	1.7
96.08958	2.0
97.02885	6.9
97.06528	42.8
99.04453	21.5
99.08105	2.5
101.02360	3.4
101.06025	3.3
103.05479	3.6
103.96920	2.1
105.01851	8.6
105.04518	2.8
105.07034	87.9
107.04948	8.4
107.07386	3.2
107.08592	53.8
108.08107	6.0
109.02880	5.3
109.06521	39.5
109.10152	16.5
110.09685	5.8
111.00803	31.5
111.08075	53.4
113.06012	5.5
113.68593	2.0
115.03909	8.5
115.05439	3.6
115.07560	2.3
117.07013	9.3
119.03577	2.3
119.04953	4.6
119.08588	46.2
120.08080	8.3
121.06503	51.1
121.10139	19.0
122.09666	3.0
122.10474	2.2
123.04399	6.5
123.08064	15.6
123.11704	27.0
125.05988	14.3
125.09622	6.8
127.03921	8.0
127.07552	12.0
127.11163	2.4
128.06203	3.5
128.30069	2.6
129.01855	15.9
129.07014	6.6
131.04924	5.5
131.08545	13.2
133.06514	7.0
133.10133	46.4
134.10429	3.1
135.04456	3.6
135.08055	32.3
135.11665	7.7
136.07585	8.9
137.05991	31.3
137.09593	4.7
137.13257	4.5
138.09163	10.4
139.07533	32.9
141.05429	3.9
142.07779	7.3
143.03415	13.9
143.07042	7.4
143.08542	9.9
145.04839	2.1
145.06493	2.4
145.10132	18.6
147.04430	4.0
147.08018	8.6
147.11687	100.0
148.07556	4.4
148.12013	5.8
149.09599	8.0
149.13275	7.4
151.07550	6.0
151.11183	17.8
152.07034	2.2
153.09126	4.8
156.09299	4.2
157.01286	5.2
157.08591	6.6
157.10114	21.2
159.06525	7.5
159.07939	3.3
159.10281	4.0
159.11690	8.9
161.04478	7.8
161.05994	7.1
161.09515	3.1
161.13261	13.1
163.07518	2.7
163.11192	6.1
164.07198	2.2
165.05441	3.0
165.12753	51.4
166.08716	13.0
169.12244	46.4
171.02879	24.2
171.11716	15.1
173.09636	5.7
173.13255	4.1
175.07478	7.4
175.11192	80.7
177.05487	3.4
181.10156	3.3
186.37718	2.1
189.03966	13.9
189.12750	30.3
193.12241	91.4
194.12617	2.7
199.11180	21.9
201.16391	6.6
207.13814	14.6
211.13286	70.6
212.13510	4.1
217.03423	3.0
217.12257	70.9
218.12488	5.0
219.17451	8.1
225.10255	2.9
229.14368	8.5
231.05008	48.3
235.13292	78.2
236.13678	3.6
237.10272	3.4
237.18504	7.8
249.06116	3.4
253.09909	5.9
253.14340	79.4
253.17029	4.3
254.14772	4.0
255.19534	2.3
265.09680	8.6
267.11392	2.6
271.15427	9.0
281.09134	5.9
289.77258	2.2
291.10297	2.9
293.09036	7.5
295.10736	3.7
295.15454	2.3
311.12863	10.5
313.09033	4.1
321.08401	2.7
326.34558	2.2
327.10574	2.7
329.08725	5.4
331.10187	2.5
341.12192	2.6
353.11465	2.8
371.12344	3.6
381.15302	13.8
399.16452	57.5
400.16779	3.1
405.15295	3.1
417.17511	15.9
423.16489	67.8
424.16791	5.6
441.17563	63.2
442.17990	6.0
454.28210	2.4
465.12659	3.1
485.15768	11.4
503.16803	3.3
506.18997	3.2
515.15845	3.0
605.95581	2.5
629.20776	18.6
630.20258	2.9
632.21790	3.2
636.21539	6.9
647.21460	2.8
650.22803	3.1
668.24139	13.1
700.27356	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	700.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68109	2.2
51.28124	2.3
53.03945	5.1
55.01876	31.4
55.05508	14.7
57.03436	4.9
59.05000	4.6
61.02917	2.5
65.03925	2.9
65.95141	2.6
67.05504	29.7
69.03444	16.0
69.07069	20.1
71.05009	23.3
73.02915	4.0
77.03910	2.3
79.05496	28.0
81.03432	9.1
81.07059	77.4
83.01360	12.7
83.04984	41.0
83.08621	10.1
85.02899	13.5
85.06550	15.0
87.00836	3.5
87.04478	6.7
91.05472	32.4
93.07044	87.7
94.06571	4.0
94.07412	3.3
95.04974	35.9
95.08604	44.8
95.09160	4.0
96.08128	3.1
97.02916	6.6
97.06536	37.0
99.04463	19.4
101.02371	4.7
101.06039	5.2
103.05480	2.9
105.01879	8.7
105.04530	3.4
105.07036	80.4
107.04958	6.8
107.08591	54.8
108.08119	7.7
108.08902	2.7
109.02869	6.1
109.06527	35.4
109.10139	19.2
110.09689	6.4
111.00798	25.6
111.08080	49.0
112.08456	2.0
113.06015	4.8
115.03932	8.1
115.05430	2.5
117.07037	6.1
119.04888	2.5
119.08579	35.9
120.08106	5.8
120.08910	2.6
121.06503	45.2
121.10139	18.9
122.09675	2.5
123.04427	7.5
123.08080	13.8
123.11705	25.7
125.05990	13.8
125.09611	5.5
127.03922	9.6
127.07582	10.2
127.11163	3.6
129.01857	13.3
129.07005	4.2
131.08534	12.9
133.04959	2.6
133.06497	6.9
133.09132	1.6
133.10124	48.2
135.08044	23.1
135.11697	7.0
136.07608	8.0
137.05986	28.1
137.09644	3.0
137.13248	2.7
138.09169	11.7
139.07556	31.7
141.01901	2.6
142.03276	3.1
142.07825	3.9
143.03447	10.7
143.07040	9.3
143.08583	9.9
143.10712	4.4
145.05000	3.4
145.10161	16.8
147.04483	2.5
147.08015	6.0
147.11691	85.4
148.12083	4.4
149.06023	3.0
149.09627	10.3
149.13263	11.2
150.09058	2.4
151.07561	3.9
151.11183	18.9
155.10703	2.8
157.08600	8.8
157.10136	21.0
159.06540	6.5
159.08031	3.4
159.10316	4.7
159.11732	9.4
160.08792	2.8
161.04474	8.0
161.05901	5.0
161.09587	3.1
161.13249	14.5
163.07506	4.5
163.11188	7.3
165.05499	2.3
165.12759	48.5
166.08662	16.4
166.13182	2.5
167.07056	4.1
169.12241	51.7
171.02892	28.7
171.11685	16.5
173.09630	4.6
173.13284	4.9
175.07617	7.2
175.11197	71.1
176.11534	5.5
177.04024	3.1
179.06917	2.6
187.07523	4.0
189.03922	12.0
189.09174	4.1
189.12758	30.4
191.14337	5.9
191.17871	2.8
193.12251	100.0
194.12675	4.6
199.11171	20.4
201.16441	6.2
203.17934	3.3
207.13828	9.9
209.15500	2.4
211.13306	67.9
217.03572	3.8
217.12245	69.2
218.12616	4.7
219.08086	5.0
219.17458	9.6
225.10178	2.5
229.14317	8.7
231.04999	59.5
232.05380	3.1
235.13298	77.4
236.13745	3.8
237.10225	4.7
237.18457	10.9
245.06064	3.5
249.06007	3.3
253.09801	7.8
253.14337	88.9
254.14713	6.5
255.19429	2.8
265.09836	6.4
271.15460	10.1
279.10287	3.5
281.09161	5.1
293.09305	7.3
295.10684	3.0
311.12775	9.3
329.08759	4.1
331.10376	2.7
339.09790	2.9
371.12399	3.7
381.15363	10.8
395.16922	2.9
399.16501	62.5
400.16821	4.6
405.15427	5.7
417.17709	15.2
423.16541	66.9
424.16617	3.6
441.17590	70.4
442.17792	8.7
446.17123	2.5
459.18671	4.1
485.15897	11.8
503.16644	4.4
611.19769	3.0
629.20728	22.4
632.22009	4.6
636.21631	10.0
647.22375	4.6
650.23505	4.6
668.24670	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	700.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97883	0.5
55.01867	1.4
55.05511	0.8
56.05030	0.5
57.03435	1.1
61.02924	1.2
62.01203	0.4
65.03959	0.7
67.05512	0.7
69.03414	3.9
69.07054	0.6
69.07607	4.2
70.06586	3.6
71.04991	0.8
72.08154	1.1
73.02917	1.3
79.05505	3.1
81.03408	2.4
81.07055	1.9
84.08155	0.9
85.02903	17.7
86.09699	1.9
87.04422	0.6
91.03958	0.7
91.05482	5.3
93.07047	2.1
94.04193	1.8
95.04969	1.0
95.08601	0.8
96.08129	0.8
97.02886	4.6
97.06464	0.7
99.04448	1.5
100.11239	1.3
103.05475	4.1
105.07042	6.5
107.04948	1.5
107.08557	1.1
109.02876	1.4
109.06525	1.2
110.09651	0.7
115.05460	2.4
117.07003	2.4
117.07729	0.5
119.04990	1.3
119.08585	2.3
120.08117	1.0
121.06527	3.0
122.03655	4.1
123.04406	0.5
127.03911	4.0
128.06206	1.2
129.06990	1.9
131.04927	5.0
131.08577	1.5
132.05707	1.1
133.06493	4.5
133.10103	0.5
135.04469	0.6
135.14667	0.5
137.05974	100.0
138.06343	3.5
138.09152	1.6
143.04924	0.9
143.06021	0.6
145.04980	4.4
145.06425	2.7
145.10135	1.2
147.04410	2.8
147.08020	2.8
149.05986	5.3
151.03938	1.2
151.07538	1.4
157.06487	0.8
159.08038	1.9
160.05209	1.6
161.05981	16.6
162.06700	2.4
163.06140	1.0
163.07541	4.1
166.08595	2.9
167.07071	3.9
171.08084	0.6
172.03909	1.4
173.05986	0.9
173.13217	0.7
175.07550	26.8
176.07881	1.7
177.05551	1.2
177.09039	0.7
179.07060	1.2
179.08545	0.7
181.04976	1.9
187.07552	7.1
189.09140	1.2
190.04950	0.7
190.07713	1.0
191.08534	4.1
193.08586	6.3
199.07524	3.4
201.05482	0.7
201.09219	0.5
203.08556	2.0
204.06386	0.9
205.08632	2.4
217.08621	1.0
219.08086	6.2
219.10034	1.0
220.08633	1.2
231.08011	2.1
232.08488	0.6
236.08217	1.7
237.18488	0.6
247.07588	3.3
248.08298	1.7
249.08997	0.9
251.10693	8.5
252.10994	0.9
259.07486	2.1
261.09094	0.8
263.10846	0.9
264.07819	1.0
265.08862	0.7
269.11658	0.9
276.07584	0.6
277.08694	1.0
279.10156	8.7
280.10907	0.8
281.08099	0.5
287.05426	1.6
288.05753	1.6
289.06165	0.9
290.06387	0.6
291.10114	4.4
292.10587	0.9
293.08411	0.5
296.10532	0.9
297.11307	0.6
309.11295	1.6
311.12769	25.7
311.16403	1.3
312.13116	1.5
323.12732	10.1
324.13016	0.9
325.14444	1.1
329.13919	3.2
341.10260	0.9
341.13885	8.5
342.14111	0.8
355.11948	0.7
359.14819	1.6
373.13348	0.6
474.40753	0.6
506.19366	2.8
611.00818	0.5
699.52405	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01863	2.2
55.05507	0.6
57.03421	1.3
61.02913	1.3
65.03942	0.6
66.04743	0.8
67.05505	0.7
67.60100	0.5
68.67194	0.6
69.03432	4.5
70.06594	2.9
70.46754	1.3
71.04992	0.6
72.08139	0.8
73.02922	1.0
79.05481	2.7
81.03413	1.5
81.07056	1.4
85.02423	0.9
85.02906	12.0
86.09712	1.0
91.05486	6.2
93.07019	1.2
94.04180	2.5
95.04980	1.2
95.08618	0.7
97.02912	4.0
99.04437	1.0
100.01349	0.5
103.05473	9.4
105.03384	0.6
105.07034	10.3
106.07378	0.7
107.04961	2.9
107.08605	0.8
109.02885	1.4
109.06513	1.0
115.05437	4.5
117.07040	2.6
118.04191	0.6
119.04947	1.0
119.08582	6.7
119.09348	0.7
121.06488	1.5
121.39672	0.5
122.03665	5.5
127.03938	1.8
128.06255	2.9
128.64323	0.5
129.07005	4.0
131.04930	16.6
131.08627	1.1
132.05739	5.0
133.06512	7.8
133.10086	0.6
135.04424	1.0
135.08127	0.9
137.05981	100.0
138.06302	3.7
139.07544	0.7
141.06989	1.2
143.04898	1.0
143.05940	0.5
143.11763	0.6
145.04965	1.9
145.06468	1.9
145.10144	2.0
146.03622	1.3
147.04448	2.3
147.08047	7.2
149.05986	3.1
149.13304	0.6
151.07568	1.3
155.04955	0.8
157.06468	1.2
157.10168	1.3
159.08047	2.2
159.11734	1.0
160.05212	3.7
161.05991	18.0
162.06619	0.9
163.07547	27.2
164.07948	0.9
167.07068	3.8
169.06551	1.4
169.13365	0.8
172.05289	1.0
173.06000	1.2
173.13229	0.9
175.07556	76.9
176.07909	3.2
177.05447	0.9
179.07048	1.7
184.05157	0.8
185.04243	2.9
185.13310	1.2
187.07532	7.3
187.14854	1.6
189.09131	1.8
189.12883	0.7
190.07787	1.3
191.07001	1.2
191.08591	4.4
193.08620	6.9
198.13464	0.7
199.07603	6.0
199.14761	1.0
201.05414	0.7
201.09090	2.4
202.07701	1.1
203.08540	2.6
205.06717	0.6
205.08543	1.4
207.08243	0.6
215.06827	1.1
217.08539	0.8
218.07266	1.2
219.08055	6.9
220.08730	2.0
223.07446	0.7
231.08069	4.6
232.08775	0.7
233.09723	0.8
234.06825	0.6
235.07439	0.9
236.08179	0.8
237.09032	0.8
247.07509	2.5
248.08336	2.3
251.10687	10.5
259.07559	3.3
260.08304	1.5
261.09033	1.2
263.10748	1.3
264.07684	1.0
265.08664	1.0
272.16049	1.1
276.07886	1.9
277.08582	1.5
279.10165	8.1
280.10806	1.7
281.08020	0.6
291.10132	7.7
292.10739	1.6
293.07840	0.6
293.11221	0.8
294.09235	0.6
295.10004	0.7
295.13367	0.7
296.10620	1.2
308.10513	0.7
309.11172	2.2
311.12775	30.8
312.13110	1.2
323.12790	18.5
324.13062	2.3
325.14322	9.4
329.13812	1.4
331.51575	0.6
341.13824	7.0
347.09476	7.4
366.35782	0.6
411.24539	0.6
436.29688	0.8
472.31290	2.1
501.32178	0.7
502.32367	2.0
505.14877	0.6
509.14615	1.8
687.13025	0.6
701.22400	3.7
727.32300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05513	6.5
57.03442	4.5
57.07077	37.8
61.02928	16.4
67.05500	12.2
69.03436	1.7
69.07069	7.3
71.08633	34.0
71.32589	0.9
72.08968	1.0
73.02924	4.9
75.04475	2.5
79.05475	1.2
81.03418	1.4
81.07059	17.8
83.08617	9.0
85.02905	19.3
85.10180	18.6
89.06017	0.8
91.03954	14.0
93.07063	0.7
95.08610	23.4
95.09238	1.1
97.02888	7.8
97.10169	9.5
99.04435	1.4
99.10677	0.8
99.11751	1.4
109.02897	0.8
109.10157	13.5
109.38336	0.7
111.11726	4.5
113.17361	0.8
115.03930	1.3
118.97891	0.6
121.10129	0.8
123.11702	6.6
127.03933	4.8
137.13240	3.6
145.04988	8.3
147.08389	0.7
151.14859	1.3
163.06029	13.9
184.07410	1.1
218.51987	0.7
249.25841	2.1
267.26852	28.1
268.27188	2.6
285.28052	3.6
341.30502	100.0
342.30847	9.6
359.31555	26.8
360.31772	1.5
379.91440	0.9
608.19305	0.9
636.25586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.5
53.03944	1.0
55.01862	2.2
60.04497	0.8
69.03420	1.0
69.48797	2.9
70.06580	0.5
77.03909	0.6
79.05489	5.3
81.07062	0.6
83.04984	0.5
84.04468	0.5
84.57401	0.5
85.02914	3.4
91.05480	4.9
94.04177	0.8
95.04948	1.4
97.02904	1.4
103.05463	6.8
105.07034	45.4
106.07364	2.6
115.05455	10.6
118.04180	3.6
119.04932	2.0
119.08566	0.6
121.06514	0.7
122.03671	1.4
127.03905	0.9
129.06989	1.8
131.04926	2.2
131.08620	0.7
133.06497	42.9
134.06845	1.7
135.08092	0.6
137.05981	26.7
138.06305	6.2
141.06940	0.6
143.04924	1.4
143.06068	3.1
145.10197	0.7
149.01959	0.5
149.05972	1.6
151.07545	7.0
157.06467	1.1
159.08008	0.9
161.05988	71.4
162.06328	3.9
163.03801	0.8
163.07542	1.5
165.07053	0.6
174.06657	0.5
175.07553	5.5
176.07901	2.1
177.09093	1.0
179.07085	0.7
184.04973	2.9
185.04224	39.0
186.04510	0.6
187.07602	2.1
188.07933	1.1
189.09067	3.1
190.07831	0.6
191.08548	2.7
192.08875	1.0
193.06802	1.0
193.08607	21.4
194.09039	1.2
195.07957	0.8
203.05302	11.4
215.06796	6.6
215.08707	0.8
219.08057	2.3
219.10216	5.2
220.08510	1.9
221.09526	1.1
225.09055	0.9
227.10675	2.3
231.08127	0.7
236.08325	1.0
247.07581	1.1
248.08026	0.9
249.08932	0.9
251.10657	3.7
252.11002	2.8
253.08675	1.1
253.12228	1.0
255.10255	1.9
260.08212	0.8
261.08289	1.1
263.10797	0.5
278.08966	0.6
279.10016	2.4
280.10376	2.4
285.11325	1.0
286.04880	0.6
287.05814	0.7
287.12891	2.5
291.10126	0.9
292.10629	1.6
309.11084	0.6
311.12799	7.4
312.13153	8.0
313.14297	3.1
323.12860	2.7
324.13187	3.5
331.15402	14.9
331.19403	0.7
342.14255	1.0
343.15375	0.7
347.09494	100.0
348.09882	4.3
407.07306	0.8
451.09903	0.7
477.17331	2.9
481.11224	2.9
509.14795	17.1
510.14978	1.6
521.17389	0.8
539.17151	6.0
540.15570	1.7
588.80432	0.6
701.22607	35.5
702.22546	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	701.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01864	2.4
57.03410	0.4
69.03416	0.9
70.06586	1.5
72.08140	0.4
79.05489	6.7
81.03407	0.9
85.02906	2.6
86.09682	0.7
89.03906	0.8
90.04724	0.5
90.55118	0.4
91.05473	3.4
92.05805	0.5
93.07033	0.6
95.04966	1.3
95.08587	0.7
97.02911	1.1
98.23394	0.7
103.05459	8.5
105.07030	60.4
106.07379	2.0
107.04935	0.7
109.02902	0.6
115.05453	12.2
116.05830	0.5
118.04166	3.9
119.04896	0.6
119.08584	1.0
122.03671	0.6
127.03860	0.6
131.04903	3.2
131.08569	0.7
132.05737	0.8
133.06493	55.1
134.06779	2.5
135.04417	1.0
137.05975	14.7
137.07033	0.8
138.06297	2.8
143.04903	1.3
143.06059	5.0
143.08524	0.5
145.02831	0.8
145.04898	0.6
145.10112	1.0
147.04399	1.0
149.05986	1.1
151.95674	0.4
155.65805	0.4
157.10121	0.6
159.08067	0.6
161.05975	90.9
162.06331	4.7
163.03923	3.4
163.07524	1.3
167.03239	0.5
167.07007	1.3
169.02553	0.5
171.11659	0.5
173.13370	0.5
175.07535	2.4
176.07936	1.1
177.05542	0.7
177.09114	0.8
179.07059	0.5
184.04948	8.5
185.04213	50.9
185.05560	2.6
185.13377	0.6
186.04581	1.2
186.13603	0.6
187.07501	1.2
187.14764	0.6
188.07846	0.7
191.08519	1.3
192.08902	0.7
193.08594	17.9
194.09042	0.6
200.07973	0.4
200.15027	0.4
203.05263	16.0
205.04684	0.5
207.06503	0.6
215.06787	15.0
216.07303	0.7
219.07996	1.3
219.10083	0.8
220.08459	1.3
224.16266	0.4
231.08086	0.5
248.07919	0.5
251.10585	2.4
252.11090	1.9
264.07401	0.4
265.08401	0.5
279.10059	2.0
280.10556	1.8
281.04239	0.5
311.12750	5.8
312.13049	4.8
323.12921	0.9
324.13242	1.0
341.14026	0.8
342.14240	0.8
347.09485	69.6
348.09875	2.9
351.55753	0.4
377.11792	0.7
437.29858	0.4
477.17270	9.4
478.17441	0.4
502.32346	0.5
509.14713	7.8
510.15228	0.5
521.15515	0.5
539.17322	17.5
540.17712	1.5
577.02026	0.4
625.60925	0.6
701.22546	100.0
702.22815	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	701.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.7
70.25155	2.5
89.46048	0.9
91.05491	1.2
93.07027	1.0
95.08651	1.0
108.08108	1.7
120.08108	2.0
132.08134	2.3
146.06033	1.4
156.08086	1.5
158.06000	1.2
160.07640	1.1
160.53336	0.9
172.07620	1.1
182.08398	1.1
195.09262	1.4
197.10803	1.1
201.10242	1.5
204.60793	0.9
207.09286	1.4
209.10846	3.0
210.11497	1.5
211.12343	2.2
213.06647	1.1
215.86130	0.9
221.10756	1.0
222.11588	1.9
223.12378	3.2
225.10329	1.5
229.09850	2.7
232.09920	1.2
233.10721	1.4
235.08650	1.5
235.12306	2.3
237.10329	2.3
237.13991	1.3
239.11890	2.9
247.12503	1.8
248.09322	1.0
248.11839	1.1
249.10406	1.5
250.11086	1.4
251.11896	4.5
252.12640	1.6
252.31317	0.9
253.09686	1.1
253.13441	3.2
261.10287	1.7
262.13452	1.0
263.11835	3.0
264.12695	1.7
265.13474	3.0
273.13602	1.1
274.13544	1.4
276.12097	1.0
278.13141	3.0
279.11655	1.2
280.14563	1.2
288.11502	1.6
290.12726	4.4
292.14529	1.3
295.14456	1.0
302.13071	1.5
304.14719	1.6
305.12762	0.9
307.14624	1.1
312.14960	1.5
313.12012	1.6
315.17352	1.3
316.14465	1.1
319.13235	1.5
320.14127	2.5
325.15720	1.3
330.12411	1.2
332.14011	3.0
333.14761	1.2
337.15164	2.0
338.15988	1.2
339.16406	1.6
346.15668	2.0
348.14719	1.3
351.16595	1.4
352.17245	2.1
353.17612	2.4
355.16687	1.1
361.14542	1.3
363.16266	2.9
364.17343	1.1
367.15277	1.6
367.19287	4.2
369.20996	1.2
372.13846	2.6
376.12720	1.3
377.17850	2.1
379.19379	2.0
380.16663	1.6
381.17081	3.8
382.17679	1.2
391.15610	3.9
392.16510	1.1
393.17090	2.2
394.18134	2.1
395.18906	5.1
396.19492	4.0
397.20456	6.5
398.19864	0.9
403.15784	1.4
404.16379	3.1
405.16925	2.1
406.18027	3.0
407.18689	2.9
408.20261	1.4
409.16315	2.4
409.20966	1.9
410.17737	1.4
411.21234	1.2
417.17325	1.5
419.14551	2.3
419.19543	1.4
423.17706	2.9
423.22202	3.0
424.18756	2.4
425.19742	8.5
426.20358	2.1
431.14874	1.1
433.20502	2.7
434.17413	4.3
435.18439	1.5
436.19308	1.3
437.19687	3.9
439.21313	2.7
447.18253	1.6
448.19556	1.3
449.20132	1.3
450.20810	1.9
451.21948	5.2
452.22137	2.0
454.23569	1.6
455.24310	1.2
461.19598	3.1
462.16626	10.8
463.17560	3.6
465.23093	2.0
466.23651	1.3
467.21072	2.1
469.22565	1.1
475.17740	2.1
477.19388	1.7
479.21951	4.6
480.21384	3.0
481.22879	2.2
482.23276	9.7
483.23920	9.2
484.24564	3.6
489.19009	3.6
490.16040	1.3
491.16434	2.3
493.22510	3.9
494.19278	10.0
495.20032	3.2
498.26190	1.7
505.19046	1.4
506.19727	1.6
507.15997	1.6
507.20877	1.6
508.17484	2.7
510.22668	4.3
511.23645	9.6
512.24219	20.2
513.24622	3.1
517.19122	1.3
520.21173	2.7
521.22760	4.6
522.19244	1.7
525.24976	3.9
526.25537	2.8
534.19226	1.2
535.23584	2.2
538.22375	3.6
539.23096	6.7
540.23163	1.3
548.20441	3.8
549.21704	4.3
550.21844	1.6
553.24512	4.4
554.25336	10.0
555.25848	1.1
563.22699	2.2
566.21619	1.6
567.22589	4.7
568.23260	1.9
571.25854	1.4
576.19904	2.2
577.20837	8.4
580.23419	1.5
581.24017	13.2
582.24426	2.6
591.22449	1.4
595.21875	5.6
598.24292	9.0
599.25037	13.9
600.25293	2.2
608.22601	16.0
609.23438	8.4
610.23499	1.6
611.21948	1.5
613.26575	10.2
614.26923	1.7
615.84515	1.1
623.25055	10.2
624.23981	1.4
626.23828	21.0
627.24341	20.0
628.24988	2.2
641.26044	33.2
642.26270	5.9
651.24353	15.6
652.24573	3.3
669.25555	59.8
670.26050	9.6
673.29053	1.4
683.46960	1.3
701.28168	100.0
701.46039	8.2
702.28503	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67537	0.5
60.89188	0.5
67.77173	0.5
69.04795	4.9
79.05486	1.0
81.07068	0.8
83.08640	0.6
85.02407	0.6
88.09434	0.6
95.08694	0.7
97.62703	0.5
98.23453	1.0
99.59631	0.6
103.56583	0.6
135.11667	0.6
166.00609	0.5
223.12387	0.8
237.14001	0.7
259.01440	0.6
289.17175	0.6
407.18411	0.8
409.20270	1.3
421.20398	0.8
422.20999	1.0
423.21951	6.7
424.22083	1.3
435.21994	1.8
436.23032	1.0
437.23776	3.4
438.24234	2.2
448.18799	0.9
449.18945	0.8
449.24350	0.8
461.19714	0.6
463.21436	1.3
465.23361	0.9
475.21661	1.1
476.20474	0.6
477.23090	0.6
480.21460	1.2
491.21149	1.8
492.21365	1.3
493.22803	0.9
508.22162	0.7
509.25763	1.0
523.27295	2.9
524.27484	1.8
525.25708	0.7
534.22504	0.7
535.23981	0.8
539.26794	1.1
549.25317	1.3
551.26929	2.7
553.24109	0.7
567.25909	0.8
577.24030	1.0
579.26050	2.5
580.26428	0.7
605.23920	1.0
609.27307	1.5
611.28650	5.8
612.28009	0.8
617.69690	0.7
627.28101	0.7
637.26276	1.6
651.28137	9.4
651.92743	0.8
652.28802	2.2
655.27686	2.1
669.29108	25.7
669.40527	1.3
670.29523	7.0
683.30872	0.9
701.31848	100.0
701.45056	6.5
702.32062	19.9
702.42242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89928	0.6
67.05504	0.6
69.83920	1.8
81.07041	0.9
93.11296	0.5
93.84666	0.5
95.08636	0.6
102.89973	0.7
104.67410	0.7
118.39650	0.5
164.21127	0.5
172.07062	0.6
223.12415	0.9
228.03807	0.6
237.13957	1.3
238.14493	1.1
239.15477	1.1
247.12485	0.6
261.13989	0.6
275.15588	0.7
279.78152	0.6
316.14716	0.7
318.16086	0.6
340.17584	0.7
375.85486	0.6
378.19342	0.7
379.19513	1.0
381.20828	1.2
391.19336	0.9
393.20950	1.6
407.18658	0.9
409.20349	1.6
422.21170	1.0
423.22009	6.6
424.22345	1.0
433.20700	0.9
434.21381	1.1
435.21970	2.0
437.23819	3.0
438.24161	1.9
447.22308	0.8
449.19427	0.9
451.21204	1.2
452.22653	0.9
453.23047	1.9
463.20724	1.4
464.22156	0.7
465.23267	0.8
467.24820	0.7
475.21573	1.3
476.21674	0.7
479.24777	0.9
490.20087	0.9
491.21005	2.1
492.21692	2.6
493.22498	1.3
505.21567	0.8
507.24167	1.6
508.23825	0.9
509.24731	1.0
519.23822	0.8
521.25946	1.0
522.26440	0.6
523.28253	2.8
524.27484	1.2
525.25397	1.6
535.23743	0.9
539.26349	1.8
540.27466	1.3
549.25012	0.6
550.24994	1.4
551.26953	3.1
553.25012	0.8
567.25812	1.8
577.24506	0.7
579.26501	4.2
580.26831	1.0
581.25275	1.0
591.26245	1.0
595.25214	1.3
609.26837	1.1
610.26624	0.8
611.28821	6.7
612.28577	1.1
627.28235	3.5
637.26288	1.8
641.29639	0.9
651.28235	0.8
655.27747	2.9
669.29181	24.1
670.29596	4.6
700.46887	0.6
701.31860	100.0
702.32214	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	701.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44611	0.2
51.46684	0.2
67.16337	0.2
86.58928	0.2
101.28208	0.2
121.92268	0.2
132.91734	0.2
185.04250	0.6
203.05402	0.4
259.07996	0.6
302.30707	0.2
347.09363	1.0
352.40726	0.2
365.10706	0.2
366.63229	0.2
490.47522	0.2
539.31909	17.3
540.32269	2.4
671.89349	0.2
701.37183	100.0
702.37524	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	701.4598
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
57.02525	0.2
105.07079	0.2
114.98445	0.2
121.00141	0.2
185.27019	0.2
211.49783	0.2
261.18463	0.5
279.19693	0.2
301.07233	0.6
323.78464	0.2
425.08255	0.2
463.26724	5.2
463.55524	0.2
464.27139	0.5
468.02844	0.2
701.46002	100.0
702.46356	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	701.46
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
56.64144	0.7
59.55280	0.7
67.05538	0.6
79.05528	0.8
89.06049	1.3
105.07016	1.2
109.10173	1.2
123.11926	0.7
133.08659	0.8
159.48633	0.7
165.65683	0.7
261.18286	1.1
263.19803	4.8
281.01007	0.7
299.83411	0.8
461.25101	33.0
462.25461	3.4
463.26633	13.9
464.26846	1.3
468.05643	0.9
669.29645	4.0
701.46033	100.0
702.46375	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	702.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01873	3.1
57.03413	1.7
61.02928	3.0
69.03432	7.4
69.11569	1.4
69.11976	4.3
81.03429	3.1
85.02906	24.8
87.04483	0.7
91.03944	1.3
97.02901	6.9
98.22661	1.5
99.00829	1.5
99.04430	1.9
107.04411	0.6
107.04961	7.0
109.02879	4.0
117.01792	1.2
120.40210	0.5
121.02872	0.9
123.04441	9.4
127.03912	4.9
131.04935	1.0
135.04417	17.8
136.05182	2.7
137.02339	3.1
145.04967	6.4
147.04428	1.1
152.06137	0.6
153.06972	3.9
157.06435	0.7
163.03894	4.8
163.05945	1.2
165.01811	1.0
175.03880	1.0
177.06989	2.4
180.08717	0.7
181.06506	8.1
189.05450	1.3
189.07007	0.7
195.08075	2.0
199.00272	0.6
199.07556	5.5
205.06473	14.1
206.06825	0.8
209.06017	2.6
223.07544	15.9
224.07948	1.1
227.07031	4.5
228.07349	0.6
232.05322	0.6
233.05997	14.0
234.06500	1.1
235.07445	0.8
237.05496	1.8
242.05716	0.6
244.07272	0.8
245.08099	25.6
246.08086	0.5
250.06247	1.3
251.07033	43.9
252.07379	3.2
255.06432	1.4
261.05444	7.9
262.06021	0.8
266.17975	0.6
269.08093	36.0
270.08350	3.1
279.06522	76.1
280.06897	4.9
289.05014	2.7
295.05856	0.6
297.07574	92.3
298.07996	5.7
307.06015	20.0
308.06555	2.5
325.07059	100.0
326.07376	7.8
343.08115	39.1
344.08423	2.7
361.09128	1.2
424.54294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
53.79968	0.7
54.60638	0.7
54.76170	0.7
55.01871	4.6
55.39859	0.7
57.03435	2.4
61.02923	2.4
69.03435	9.5
70.06596	1.4
70.18484	1.9
71.01360	1.2
73.02910	1.5
77.64806	0.8
81.03432	4.1
85.02909	23.9
86.06078	0.8
91.05505	0.8
95.74043	0.7
97.02903	8.3
98.23314	0.8
98.97597	1.3
99.00813	1.3
99.04476	1.4
103.20652	0.8
107.04963	6.4
109.02879	4.2
111.04454	1.0
112.02385	0.9
114.05566	0.8
123.04433	8.3
127.03909	5.3
135.04427	17.0
136.05180	2.4
137.02354	12.0
145.02811	0.8
145.04971	5.6
147.04373	1.4
153.05821	0.9
153.06978	3.9
157.06525	1.2
161.06062	1.0
163.03897	6.6
163.05966	0.9
165.01819	1.2
177.05527	1.1
177.06961	2.0
180.08647	1.0
181.06509	8.2
181.98318	0.8
188.59740	0.8
195.08055	2.2
199.07544	5.4
205.06490	13.6
209.06029	1.0
219.10226	2.3
223.07559	15.2
227.06995	4.9
233.06021	12.7
234.06361	0.9
241.08629	1.9
245.08109	24.9
251.07043	40.6
252.07338	2.4
255.06406	0.9
261.05536	6.8
262.05969	1.2
263.07281	1.1
269.08093	37.5
270.08368	2.4
279.06522	74.2
280.06891	4.5
283.05746	1.0
289.04962	3.2
297.07578	83.8
298.07913	6.4
307.02460	1.2
307.05975	22.9
308.06589	2.8
325.07077	100.0
326.07416	6.7
343.08139	42.1
344.08395	3.0
361.09238	1.4
497.13422	1.0
498.13385	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75174	0.4
55.18379	0.3
61.02921	0.5
65.03934	0.6
68.09368	0.4
68.23450	0.3
69.03433	1.8
70.25237	1.2
79.05483	0.6
81.03429	1.0
81.07050	0.9
85.02902	5.4
91.04958	0.6
91.05483	7.2
94.04185	0.8
95.04967	1.7
97.02876	1.4
103.05452	1.4
105.07015	1.4
107.04970	1.5
109.06518	1.7
111.04446	0.5
115.05471	0.5
117.06990	0.6
119.04938	5.7
120.08176	0.4
121.06483	2.2
122.03654	1.5
123.04507	0.5
123.07994	0.4
127.03931	1.0
128.06270	0.7
129.07002	3.8
131.04929	2.7
131.08556	0.6
133.06479	0.9
135.08055	1.6
136.05222	0.9
137.05975	28.8
138.06329	1.1
139.07559	0.5
143.04961	0.8
145.04930	0.8
145.06506	1.4
146.03575	0.4
148.05128	0.5
149.05980	5.6
151.03886	1.2
151.07545	39.2
152.06271	0.4
152.07892	1.5
157.06493	5.2
161.05986	5.5
161.09656	0.9
163.03935	0.5
163.06253	0.4
163.07542	10.9
165.07016	0.9
165.09143	2.1
166.07764	0.5
167.07162	0.6
167.08565	3.5
173.09668	0.4
174.06772	2.2
175.07561	2.8
177.05478	0.5
177.09122	4.3
178.07759	0.8
179.08597	0.5
181.06520	0.4
182.07130	0.4
184.46185	0.3
187.07460	0.4
189.09113	13.7
190.09462	0.9
193.06493	1.4
193.08600	0.5
193.10104	2.3
194.07239	0.6
195.08058	8.5
196.08646	0.6
197.05931	0.9
197.09662	0.7
203.08545	0.4
205.06548	0.5
206.07259	0.5
207.10139	3.2
209.06102	0.5
209.09631	1.2
210.06805	1.2
211.07474	0.7
212.08388	1.5
219.08202	0.4
219.10196	1.4
220.08820	0.6
221.06004	3.1
221.09583	3.5
221.11723	1.0
222.06738	0.4
223.07503	4.2
224.08220	1.1
225.05641	0.4
225.09097	3.3
226.09525	0.5
227.07130	0.6
227.10660	12.5
228.11037	1.1
234.06764	0.4
237.09085	1.1
238.06166	1.1
238.09814	0.4
240.07764	1.2
241.12245	0.6
249.09001	2.6
249.11264	0.4
251.10486	0.4
252.07835	0.7
253.08618	5.6
253.12244	5.9
254.12555	0.6
255.10164	11.3
256.10742	0.9
263.10745	0.5
265.08499	0.5
266.09421	0.5
267.10156	1.9
269.08109	1.3
269.11618	0.9
270.08932	0.7
272.10336	1.6
273.11304	0.4
279.09933	0.4
281.11670	2.8
284.10501	1.2
285.11212	7.9
286.11584	0.8
287.12787	22.4
288.13107	1.5
293.11761	0.4
297.11209	0.4
299.12756	1.4
301.14468	0.9
311.12631	1.3
313.14340	20.1
314.14667	1.6
331.15390	100.0
332.15747	8.2
343.15369	3.8
481.11398	0.8
501.25906	0.4
540.14874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67450	0.3
55.01874	0.3
55.15744	0.3
61.02930	0.4
69.03414	1.4
70.06578	1.2
71.31740	0.4
72.08131	0.5
81.03436	0.6
84.04503	0.4
84.08131	0.5
85.02905	4.3
86.09709	2.5
91.05476	1.3
92.05775	0.3
92.59277	0.3
97.02894	1.3
103.05463	0.9
105.07036	2.0
106.04170	0.8
106.07379	0.8
107.04946	0.4
115.05457	1.4
117.06984	0.5
118.04176	0.3
119.04964	0.4
119.87042	0.3
121.06503	0.9
122.03673	0.5
125.05940	0.3
127.03889	0.7
128.06204	1.5
129.06999	6.6
129.10231	0.4
131.04930	1.5
131.08574	5.4
133.06458	2.4
134.06795	0.6
137.05983	3.2
141.07007	3.8
143.04926	0.5
143.05972	0.3
143.08534	0.4
144.05655	0.7
145.04950	1.3
145.06474	0.3
146.07283	0.4
147.04407	0.6
149.05954	1.8
151.07542	1.3
153.09091	0.4
157.06491	5.1
158.07271	1.8
159.08060	5.9
160.05167	1.0
161.05983	4.6
161.09613	0.5
162.06345	1.4
163.03969	0.4
163.07526	1.2
167.07043	0.7
169.06448	2.6
170.07236	1.0
171.07971	0.4
174.06772	10.4
175.07523	3.2
177.05490	1.0
181.08630	0.5
185.04253	1.3
186.04555	0.4
186.06744	2.6
187.07544	0.8
188.08345	0.5
189.09105	22.1
190.09468	1.1
191.10635	1.7
193.08575	1.4
193.10214	0.5
194.08911	0.5
201.09108	8.2
202.09383	0.6
203.05240	0.5
207.10132	0.8
209.08083	2.8
211.68326	0.3
215.06903	0.5
217.08479	0.3
219.10161	100.0
220.08560	0.3
220.10471	5.9
223.04185	0.6
237.11220	1.4
245.18561	0.5
265.53723	0.3
285.11063	0.4
307.09500	0.3
326.24008	0.3
331.15408	1.7
347.09531	2.5
348.09879	2.3
381.15329	0.9
401.15842	0.7
649.28137	0.3
702.22656	2.1
702.38605	0.4
703.23792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43420	1.3
55.05502	1.7
67.05519	2.4
70.33332	1.7
71.31573	1.5
77.85583	1.3
79.05512	1.7
81.07080	3.9
85.02946	1.5
86.88438	1.2
89.06046	1.8
93.07079	3.5
95.08620	3.1
97.02940	1.8
102.78817	1.2
109.10194	2.6
164.10765	2.4
213.10919	1.3
215.36665	1.4
221.10641	2.1
223.12354	2.4
232.09404	1.4
235.12469	2.2
237.13908	2.8
250.13513	1.7
261.14178	1.9
262.13580	3.0
300.25479	1.4
318.16187	2.0
326.16696	2.1
331.16794	1.6
334.15863	2.0
337.15570	2.0
338.16193	2.0
340.18295	2.6
352.17542	1.9
353.18262	1.6
363.16019	1.8
365.18155	2.5
366.18613	4.3
367.19522	2.8
377.17993	1.6
379.19458	3.2
380.20587	1.7
381.20874	4.9
393.17017	2.4
394.18030	3.3
395.18817	4.9
408.19189	6.6
409.20236	45.7
410.20758	6.2
420.19858	1.7
421.20718	3.5
423.22049	15.0
424.22549	21.1
425.23560	2.7
435.22076	5.3
436.22549	4.4
439.17746	4.5
440.18283	2.7
443.22214	5.3
444.22592	1.9
449.20221	2.3
451.21478	4.3
453.18695	8.9
454.20081	5.3
463.21609	4.6
467.20023	2.0
468.21982	6.4
479.24857	2.1
480.17450	1.6
481.22687	2.6
493.19080	4.6
494.23642	3.3
495.24426	9.2
496.24646	4.1
497.25494	5.8
508.21127	1.8
510.26071	2.2
511.27167	34.7
512.27374	11.0
519.29297	1.8
522.26459	1.5
523.23431	6.5
524.24127	2.9
537.25134	1.9
538.25586	3.1
539.23328	2.1
540.24371	2.0
541.24670	5.7
542.25165	1.7
549.49481	1.6
551.22900	6.2
555.26038	30.9
556.26776	16.5
567.22156	11.1
568.23645	2.6
581.27582	6.6
582.25446	4.6
583.25421	4.2
593.24152	4.2
598.27826	27.8
598.37134	2.3
599.28448	7.5
600.28998	2.9
610.24829	2.0
611.24707	3.8
625.26538	16.2
626.25958	2.1
627.25018	1.6
642.27209	6.0
643.27795	10.2
653.26166	22.7
654.26599	5.6
657.28632	2.4
667.27881	2.1
685.28662	93.1
686.28955	16.1
703.29755	100.0
703.40503	16.0
704.30017	19.3
704.40930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
70.98225	2.4
74.51564	1.4
78.48776	1.3
83.77919	1.5
172.07520	1.5
173.07106	1.8
194.09868	1.6
201.06555	2.6
208.09795	2.3
209.10719	3.4
211.12209	1.9
215.08119	2.0
223.12381	3.2
224.13147	4.1
225.13953	7.6
235.12233	2.6
237.13885	10.6
238.14651	5.0
239.15428	6.7
240.16151	2.7
252.12546	2.0
253.13335	2.8
265.13354	8.1
266.14029	3.0
267.14914	7.5
286.13339	1.9
287.10309	1.8
301.16049	2.4
316.17950	2.3
317.11362	2.7
325.15634	4.7
327.17175	2.0
340.17752	1.5
345.33939	1.5
360.17139	1.8
373.17657	1.8
386.18924	1.9
388.20657	3.6
403.22461	2.0
404.23505	2.0
407.19385	1.7
411.18207	2.4
427.21436	4.4
439.21133	1.7
482.22845	2.3
485.25507	2.5
490.22684	4.5
491.24115	4.4
497.23972	1.9
498.23822	3.8
499.23895	1.9
513.24719	5.1
514.25562	4.1
520.96722	1.7
523.23260	5.2
524.23004	2.3
527.22113	1.5
541.24237	3.5
542.24908	2.6
569.23669	5.4
583.25470	3.3
601.26270	8.3
611.25159	21.9
612.25067	3.4
629.25946	22.6
630.26428	3.0
639.24420	1.7
643.27588	32.9
644.27295	4.4
657.25226	2.1
661.28491	8.4
671.27130	100.0
672.27344	15.8
703.28973	22.1
703.39233	3.3
704.29474	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	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.0
76.41718	1.1
79.05476	1.5
79.76523	0.9
79.93507	1.0
79.94779	0.9
91.05449	1.0
93.07030	1.9
107.08633	1.2
109.10168	1.6
114.67883	0.9
121.08707	1.0
140.86067	0.9
149.02290	1.0
176.57779	1.0
194.09685	2.3
196.09978	1.9
199.08768	1.0
202.11670	1.0
208.09799	1.9
209.10687	7.3
210.11400	1.8
221.10707	2.2
222.11536	3.3
223.12244	8.4
224.13103	6.2
225.06578	2.0
225.13855	4.9
227.14017	1.1
235.12305	1.9
236.09415	1.3
236.12982	1.9
237.10281	4.5
237.13831	14.9
238.14670	7.7
239.08168	4.5
239.15280	1.6
244.18454	1.0
250.11089	1.5
251.08092	1.2
251.11919	2.0
252.12526	2.3
253.09682	1.7
253.13255	2.9
255.11324	1.3
263.08163	1.3
264.14957	1.1
265.13376	9.7
266.14145	4.0
267.07605	6.4
269.09247	1.4
276.16318	1.1
281.09244	3.4
281.12823	1.2
295.10840	1.0
297.12320	2.0
299.10419	3.8
309.08795	1.1
311.14258	1.3
312.14911	1.6
313.11740	2.1
315.13580	1.4
315.16959	1.1
325.15527	5.0
326.16071	1.5
341.11166	7.3
407.18634	1.2
407.51514	1.1
419.15146	1.5
433.16843	2.0
435.18228	2.1
449.19815	1.2
450.20126	1.8
477.19104	1.6
491.20807	2.4
506.21362	1.1
519.20026	1.2
523.23297	2.9
533.21436	2.3
547.22913	1.2
549.21442	1.2
550.23383	2.2
551.23077	4.9
565.24133	3.2
566.25323	6.6
593.23944	12.1
594.24200	2.7
607.25812	1.3
611.25250	4.7
621.23004	2.9
625.24811	5.8
626.25385	1.2
635.24768	3.6
643.27612	1.5
653.26019	100.0
654.26410	16.8
685.28650	16.0
686.28345	2.7
703.28882	2.8
703.38379	3.5
703.45355	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	703.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32659	0.4
64.05845	0.6
69.07110	0.6
81.07108	0.7
93.58867	0.5
108.08116	0.5
118.68638	0.5
120.08214	0.8
126.35305	0.6
144.08253	0.9
168.08157	0.6
169.39951	0.7
172.07748	0.9
183.09261	0.8
185.04353	0.7
195.09361	1.5
196.10129	1.8
197.07260	0.9
197.10861	1.0
203.05470	1.9
206.09857	0.6
207.09299	1.4
208.10081	1.6
209.10718	6.7
210.11647	2.2
211.08900	1.5
211.12453	1.4
216.39537	0.5
221.10994	2.0
222.11440	3.6
223.08899	1.1
223.12306	7.1
224.09563	1.2
224.13055	4.9
225.06789	1.8
225.13869	4.1
226.14511	0.7
227.08311	0.9
235.08746	0.8
235.12520	1.2
236.09639	1.4
236.13263	1.7
237.10338	3.4
237.13885	12.3
238.14651	6.1
239.08159	4.4
239.15651	1.4
240.09065	0.8
241.09891	1.0
250.11295	1.4
251.08371	0.6
251.12021	1.6
252.12802	1.7
253.10077	1.0
253.13574	1.8
255.07753	0.6
259.08075	1.1
263.08414	2.0
265.13376	8.9
266.14172	2.6
267.07684	5.3
267.15027	1.1
269.09415	1.5
281.09207	3.2
282.10071	0.7
282.13843	0.5
283.11002	0.6
285.08957	1.0
297.12518	1.1
299.10315	3.1
309.08853	1.4
313.12125	0.9
314.12766	0.5
325.15466	4.6
326.16507	0.9
341.11356	7.3
342.12170	1.2
343.13104	0.6
365.10324	2.4
366.11420	0.5
391.15698	0.6
392.17081	0.6
403.15967	0.9
405.17569	0.5
406.18399	0.9
407.19232	0.6
417.17163	0.7
419.14911	0.9
420.15536	1.0
421.16824	0.9
426.14359	0.7
433.16837	1.1
434.17960	0.8
445.16418	0.8
447.18567	1.2
448.19843	0.9
449.19748	1.9
451.21680	0.7
457.17059	0.6
458.17358	0.5
459.18079	0.8
461.15973	0.6
463.16986	0.7
463.22272	1.1
472.21274	0.5
475.18085	1.7
476.18439	1.0
477.19019	3.1
478.20660	0.8
479.21414	0.6
490.20114	1.0
491.20883	2.0
492.20898	0.6
493.22076	1.0
504.22031	0.9
505.22156	1.0
506.22284	0.8
507.20490	1.1
508.21182	1.1
521.22705	0.9
522.22595	1.0
523.23602	3.8
524.24078	0.9
533.21930	1.9
534.21716	1.4
535.20410	0.6
537.25574	0.6
541.33490	15.1
542.33972	1.1
547.23328	1.4
549.23932	1.1
550.22540	2.0
551.22968	4.5
552.23431	0.9
565.24756	3.3
566.24884	5.5
567.25482	0.7
575.23199	1.5
578.21973	0.6
593.24011	12.5
594.24341	2.3
607.24896	1.0
611.25073	5.2
612.25336	0.6
621.23468	4.4
622.23444	0.6
625.25732	5.6
635.25055	2.5
636.23492	0.7
653.26056	96.0
654.26355	15.9
667.28137	0.8
685.28619	9.7
686.29578	1.2
703.38666	100.0
704.38879	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	703.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49920	0.3
59.74282	0.3
69.09436	0.4
84.32165	0.3
113.48511	0.3
154.09961	0.3
185.04236	0.9
203.05315	2.7
208.09912	0.4
209.10832	1.3
222.11536	0.8
223.08792	0.4
223.12303	1.1
224.13145	0.9
225.14000	0.9
226.14619	0.5
237.10272	0.6
237.13860	2.9
238.14680	1.1
239.08183	0.8
251.08357	0.3
253.13367	0.6
259.07843	1.6
265.13556	1.4
266.14185	0.9
267.07794	0.7
281.09229	0.7
305.08417	0.5
325.15497	0.9
341.11557	1.3
347.09720	1.2
365.10632	3.9
421.13290	1.3
433.17010	0.4
450.20160	0.4
459.17786	0.4
477.19308	0.7
523.23511	0.7
524.23956	0.4
541.33496	19.4
542.33923	2.3
551.22998	0.7
566.25214	0.8
593.24017	2.4
594.24542	0.5
611.25305	0.8
621.23383	0.6
625.25092	0.7
635.25000	0.4
653.26044	16.3
654.26099	3.0
685.28632	1.4
703.38733	100.0
704.39038	14.8
710.81647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46883	0.2
80.95913	0.2
98.23390	0.4
139.22801	0.2
185.04221	1.0
229.25714	0.2
259.07983	0.4
277.79440	0.2
327.00995	0.2
347.09381	0.9
360.07040	0.2
404.40073	0.2
410.45364	0.2
421.13342	0.3
511.82239	0.2
541.33466	18.2
542.33575	2.1
703.38708	100.0
704.39050	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
53.97179	1.0
55.01868	2.3
55.05511	6.0
57.03455	1.2
57.07072	1.2
61.02929	1.9
67.05500	9.6
69.03441	8.5
69.07069	7.4
69.81847	4.6
71.05002	1.5
79.05486	8.5
81.03427	4.7
81.07058	13.9
83.05016	1.8
83.08636	4.6
85.02903	20.5
85.06548	2.8
87.00832	8.9
91.05476	9.0
92.18645	1.1
93.07044	14.3
93.47209	1.0
95.04962	2.2
95.08602	18.8
97.02906	4.8
97.06528	3.5
99.04470	1.6
99.08071	1.6
105.01868	13.0
105.07022	17.4
107.08595	49.8
108.08936	1.4
108.19319	1.1
109.02863	4.0
109.06527	3.4
109.10152	15.0
111.08086	4.6
117.07023	3.8
118.08693	0.9
119.08587	34.3
121.06511	2.9
121.10149	34.3
122.10500	1.6
123.08072	3.2
123.11700	8.7
125.09637	3.3
127.03917	14.0
129.07002	1.6
131.08557	8.8
133.10124	25.5
133.11050	2.1
135.08003	6.1
135.11687	12.9
137.09642	3.5
137.13182	1.3
139.11139	1.6
142.07782	1.5
143.08554	3.9
144.09348	1.3
145.04958	2.6
145.10117	21.2
147.08089	1.6
147.11685	16.2
149.09648	3.8
149.13263	7.6
151.11185	3.0
156.09358	2.1
157.10135	6.8
159.02858	1.4
159.11690	27.4
160.12111	1.6
161.09630	9.6
161.13260	10.7
163.11191	6.7
163.14870	3.7
165.12744	2.7
169.10196	1.8
170.10873	1.5
171.11674	7.6
173.09650	1.3
173.13292	9.4
175.11234	4.3
175.14795	8.4
177.12738	6.3
177.16391	2.0
179.14351	2.1
183.11754	2.6
184.12691	1.3
185.13333	4.3
187.14815	10.7
189.12804	3.2
189.16368	8.5
191.14334	3.4
191.17947	2.3
193.15752	1.3
199.14842	7.9
201.16379	8.6
203.14294	3.8
203.17950	1.7
205.15866	9.3
207.17555	1.5
213.16357	8.5
215.17926	21.9
217.16032	2.8
219.17482	4.5
225.16405	1.3
227.17998	1.3
231.04993	4.3
231.17439	41.1
232.17888	3.8
233.19011	25.9
241.19489	2.0
243.17429	3.3
245.19063	1.6
249.18459	17.8
259.20615	3.4
287.05463	2.4
401.32162	2.7
419.33066	19.2
420.33289	3.2
437.34155	100.0
438.34518	10.3
455.35193	46.4
456.35352	4.9
593.70422	1.5
700.55823	1.5
703.38843	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	704.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01662	2.9
55.01875	29.2
55.05513	15.2
57.03438	7.3
65.03924	3.2
67.05509	24.1
69.03446	6.6
69.07073	18.3
70.67614	6.5
71.04982	11.7
73.02928	3.3
77.03966	3.0
79.05499	28.8
81.03402	3.6
81.07057	73.5
82.07374	2.7
83.01324	11.9
83.04982	42.2
83.08611	6.8
84.99238	3.5
85.02898	4.3
85.06516	7.1
87.04460	4.5
91.05479	25.2
93.06464	4.9
93.07043	72.0
95.04977	28.3
95.08611	38.6
97.06536	44.1
99.04463	20.4
101.02352	3.4
105.06371	5.4
105.07030	70.4
107.04926	4.4
107.08598	44.1
109.06535	32.2
109.10149	10.3
111.00763	17.8
111.07351	3.8
111.08084	54.1
113.06011	4.4
115.03924	3.5
117.07007	7.0
119.08573	36.0
121.06505	56.6
121.10136	9.9
123.08046	13.3
123.11697	25.7
125.05991	24.7
127.07530	10.4
129.01860	13.3
129.06992	4.9
131.08565	9.5
133.10118	42.5
134.10500	3.4
134.85695	2.8
135.04407	5.1
135.08067	27.0
137.05972	7.9
137.09628	3.1
137.13202	3.2
139.07553	33.6
142.07767	6.7
143.03410	6.5
143.07018	7.7
143.08539	6.3
145.10110	11.5
147.08043	7.6
147.11684	91.6
148.11951	3.2
149.13240	9.7
151.11192	15.0
155.44525	2.9
156.09253	4.9
157.01332	9.5
157.08624	7.5
157.10124	23.9
157.83630	3.2
159.06558	6.5
161.04491	5.3
161.09563	3.8
161.13266	12.8
165.12762	40.1
169.12238	53.4
171.02899	11.5
171.08101	3.5
171.11670	15.5
173.09653	5.1
175.11185	73.8
176.11517	4.1
181.10240	3.8
189.03940	7.9
189.12740	31.4
191.14127	3.5
193.10555	6.2
193.12253	89.5
194.12534	4.8
199.11215	20.8
207.13823	12.1
211.13307	86.5
212.13666	4.3
217.03467	22.1
217.12253	76.6
218.12592	2.9
229.14238	6.6
231.04980	52.3
235.13301	86.5
236.13692	4.2
247.95903	2.7
249.06114	5.2
253.14342	100.0
254.14743	6.3
261.08469	3.0
271.15384	14.0
307.46753	2.9
353.16025	3.0
363.14865	2.9
367.13660	6.0
381.15356	8.1
385.14880	42.0
399.16464	35.5
403.16049	25.2
409.14948	37.0
410.14999	6.2
417.17383	8.7
423.16446	36.9
427.15961	64.2
428.16217	6.2
441.17636	58.2
442.17651	3.2
445.16760	6.9
459.18347	4.9
615.19098	38.8
633.20203	23.7
634.20166	4.1
704.25470	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	704.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03938	1.1
55.01873	1.3
57.03429	0.6
61.02917	0.6
63.11463	0.3
65.03934	0.7
69.03436	2.5
69.20443	2.1
70.06584	0.7
71.04997	0.5
73.02900	0.6
77.03925	0.7
79.05511	0.5
81.03413	1.2
85.02903	7.2
91.05493	5.6
95.04940	0.8
97.02899	2.6
102.04681	0.5
103.05470	38.1
104.05807	1.4
105.07043	0.4
107.04969	0.9
109.02867	1.1
109.06558	0.5
115.05457	1.0
117.07024	0.6
119.04943	8.6
121.06494	1.8
122.03663	0.7
127.03888	1.5
129.06960	0.9
130.04143	0.6
131.04929	100.0
132.05219	3.1
133.02856	10.5
133.06497	1.5
135.04396	0.8
137.05980	18.3
138.06281	0.6
145.04964	1.6
145.06439	1.9
147.04416	24.0
148.04710	0.5
149.05981	40.8
150.06584	1.7
151.07539	0.6
153.05385	0.6
157.06503	0.9
159.04388	0.9
161.06013	3.2
162.06770	3.3
163.07545	46.0
164.07861	1.7
165.05486	4.9
173.05991	4.6
175.07506	0.6
177.05476	8.2
178.06044	1.2
178.07539	0.4
179.07069	3.7
185.06007	3.7
191.07004	1.1
203.06982	3.4
203.08542	0.5
219.08025	0.6
231.08104	0.7
247.07446	0.5
251.10706	0.6
277.08670	2.7
279.10272	0.6
295.09555	0.9
297.11234	3.6
309.11200	3.1
311.11032	0.5
327.12204	4.0
345.13458	0.5
645.26599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03935	1.0
55.01861	0.6
57.03433	0.7
61.02917	0.5
61.75546	0.6
63.41809	0.5
65.03924	0.9
69.03425	2.0
69.43414	2.8
70.06603	0.8
72.08138	0.6
77.03912	0.8
79.05477	1.3
81.03435	0.9
84.08146	0.6
85.02908	4.2
86.09703	2.9
91.05483	8.1
92.05805	0.6
95.04964	1.5
97.02876	1.8
102.04655	0.6
103.05469	49.5
104.05801	0.6
105.03379	1.1
105.07032	1.9
107.04974	2.0
109.02866	1.0
110.71652	0.5
111.04432	0.6
115.05451	0.9
117.07001	1.5
119.04951	11.6
121.06532	4.3
122.03650	2.0
123.04443	0.8
127.03901	1.7
128.06276	0.8
129.06993	2.9
130.04185	0.9
131.04927	100.0
132.05280	2.0
133.02858	18.0
133.06483	3.7
135.04407	1.3
135.08032	0.9
137.05978	36.3
138.06300	1.3
143.05960	0.8
145.04965	0.9
145.06471	2.3
146.03603	0.6
147.04413	39.6
148.04811	0.9
149.05981	53.8
150.06779	4.1
151.07535	2.1
153.05464	1.1
157.06474	2.7
159.04440	0.9
161.05983	4.3
162.06740	5.8
163.07544	33.4
164.07957	1.3
165.05492	8.6
167.07060	1.8
173.05983	4.3
175.07471	1.4
177.05467	25.6
177.07021	1.3
178.06116	2.1
179.07031	4.5
181.08643	0.6
185.05981	10.6
186.06326	1.0
187.07379	0.7
189.09096	1.2
191.06940	0.8
193.10229	0.7
195.06500	1.0
203.07014	4.9
203.08617	1.3
203.10588	0.8
206.07281	0.5
211.09576	1.2
219.08116	1.1
219.10245	1.5
220.10510	1.3
229.08524	0.6
231.08105	1.1
247.07468	0.7
248.08426	1.1
249.09016	1.1
259.07596	1.3
277.08633	6.0
279.10211	1.0
295.13333	1.5
297.11249	4.5
309.11197	7.0
310.11508	0.9
327.12277	5.8
327.15924	3.7
345.13177	1.2
345.17078	0.7
386.70578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03952	1.0
57.03441	0.6
61.02934	0.7
65.03955	0.4
65.23143	0.2
68.28735	0.2
69.03427	1.6
70.06592	1.5
70.41167	0.3
70.41489	0.5
72.08187	0.3
77.03922	0.5
79.05504	0.4
81.03428	0.9
84.08120	0.5
85.02905	4.0
86.09719	1.2
91.05485	3.9
95.04968	0.8
97.02894	1.1
100.72964	0.3
102.04705	0.5
103.05470	47.0
104.05814	1.4
105.07034	0.9
107.04936	0.7
109.02880	0.6
115.05479	0.4
116.53853	0.3
117.07006	0.4
117.10739	0.3
119.04951	5.9
121.02810	0.3
121.06503	1.0
122.03691	0.7
123.04401	0.5
124.05164	0.4
127.03935	0.9
129.06993	0.7
129.10245	0.5
130.04195	0.4
131.04927	100.0
132.05234	3.9
133.02869	2.6
133.06491	1.4
137.05975	15.5
138.06322	0.8
145.05019	0.7
145.06483	1.2
147.04413	19.1
148.04640	0.6
149.05980	35.4
150.06398	1.4
151.03867	0.3
151.07536	1.1
153.05519	0.3
157.06493	0.9
159.04385	0.6
161.06006	2.9
162.06801	1.5
163.07542	50.3
164.07889	2.1
165.05435	1.4
166.46318	0.3
167.07025	0.4
173.05983	3.2
175.07556	0.7
177.05473	5.6
178.06061	0.9
179.07022	1.9
185.05975	2.9
187.07452	0.3
189.09036	0.3
202.07780	0.3
203.07004	1.9
219.08084	0.5
231.08170	0.7
247.07275	0.3
249.09129	0.4
251.10490	0.4
277.08661	2.1
279.10150	0.6
297.11182	3.1
301.10648	0.3
309.11185	2.7
309.53882	0.3
315.12134	0.4
327.12137	1.9
327.15906	0.9
345.13120	1.0
346.13666	0.3
412.56046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01871	0.2
57.03440	0.2
59.18193	0.1
61.02937	0.2
65.03947	0.5
66.04738	0.2
66.92989	0.1
67.05510	2.1
68.99793	0.4
69.03431	0.7
69.07079	0.2
70.06595	0.5
70.68295	0.2
70.68628	0.2
75.64618	0.2
77.03901	0.2
77.80920	0.2
79.05502	1.1
81.03442	0.4
81.07071	0.3
83.70222	0.1
85.02905	2.3
85.46681	0.2
86.09673	0.2
88.54114	0.1
91.05479	0.4
94.04188	0.5
95.04381	0.2
95.04968	3.5
97.02908	0.8
97.06544	0.3
101.90759	0.2
103.05466	0.4
105.03419	0.3
105.04529	0.3
105.07025	2.3
106.07383	0.2
107.04947	1.2
107.47451	0.2
109.02915	0.2
109.06538	0.4
110.03655	0.3
111.04438	0.4
113.06036	0.2
115.05447	0.4
119.04888	0.3
121.06458	0.2
121.65710	0.1
122.03661	2.0
123.04433	28.0
124.04697	0.9
125.02377	0.2
125.05989	1.0
127.03912	0.4
131.04903	0.4
133.06496	2.3
133.41962	0.2
135.04434	0.4
136.07565	0.2
137.05984	3.7
138.03108	0.2
139.03880	0.3
140.04688	6.1
141.05241	0.2
143.05995	0.2
144.05669	0.3
145.04997	0.3
147.04425	0.4
149.05959	0.2
150.03177	0.3
151.03876	0.8
152.39668	0.2
153.05498	0.3
154.06284	0.2
155.07040	1.0
160.51485	0.2
161.05974	4.0
162.06418	0.3
163.03877	0.3
163.07541	0.3
165.05458	0.3
167.03374	0.2
167.07042	3.5
168.04178	4.5
168.43507	0.2
169.04649	0.2
171.06540	0.3
172.05266	0.2
173.20433	0.2
175.07625	0.2
177.05547	0.2
179.31709	0.1
180.08649	0.2
181.08504	0.3
183.06529	100.0
184.06874	3.5
193.08609	3.4
199.07587	0.2
205.08589	1.4
206.09134	0.2
207.06590	0.2
211.07626	0.2
296.59286	0.2
299.09100	0.2
327.15808	0.2
345.11838	1.0
348.09995	0.2
363.14407	5.9
364.14740	0.4
542.15924	0.3
704.22906	0.8
705.22272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51082	0.4
51.02384	0.3
53.64814	0.3
55.01868	0.8
55.18301	0.3
61.02939	0.5
66.04738	0.4
69.03429	1.3
69.15496	2.4
69.15884	0.4
79.05489	1.1
81.03411	0.6
81.07058	0.5
85.02917	4.4
91.05475	1.8
93.07059	0.4
94.04181	2.5
97.02888	1.0
103.05474	5.6
105.07021	3.5
107.04953	0.8
109.02847	0.4
109.06508	0.7
115.05454	1.1
117.07016	1.1
119.04969	0.7
121.06493	2.9
122.03647	5.2
127.03932	0.9
128.06230	0.8
131.04930	8.8
131.08507	0.4
133.06490	15.7
134.06808	0.6
135.08047	5.7
135.72328	0.3
137.05980	100.0
138.06322	3.1
143.08571	1.9
145.04967	0.8
145.06499	4.1
147.08066	1.4
149.05974	1.6
151.07536	5.8
151.08630	0.7
155.06036	0.5
157.06456	1.2
159.08054	0.6
160.05130	0.4
161.06053	0.4
163.07545	29.1
164.07927	0.8
171.08055	1.6
174.06764	1.0
175.07545	2.0
177.09114	1.3
183.06615	0.9
187.07573	0.8
188.08334	0.8
189.09132	3.4
191.10846	0.4
203.10664	5.4
221.11696	0.7
235.11186	1.0
245.09584	0.4
259.52899	0.4
263.10577	1.3
274.34195	0.3
284.14471	0.3
295.13306	15.3
295.83563	0.4
296.13663	1.0
327.15909	34.8
328.16232	3.0
345.16965	5.7
346.17166	0.4
542.16455	0.6
561.76752	0.4
623.41309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03949	0.5
55.01862	0.7
57.03439	0.6
60.04521	0.7
61.02920	0.4
68.70802	0.4
69.03431	1.6
69.32171	1.3
69.32584	0.8
70.06597	0.9
71.04998	0.4
72.08167	0.9
79.05485	0.8
81.03415	0.8
81.07057	1.0
85.02912	5.7
86.09713	0.6
91.05479	2.4
94.04207	1.9
95.04964	0.8
97.02897	1.5
97.60230	0.4
103.05476	6.4
105.07029	2.8
107.04948	1.6
107.08574	0.4
109.06511	1.1
115.05481	0.7
117.07039	1.0
119.04951	0.7
121.06517	2.2
122.03663	5.0
123.08043	0.7
127.03910	0.8
128.06261	0.6
130.04153	0.4
131.04941	9.2
133.06494	16.7
134.00812	0.3
134.06808	0.4
135.08052	5.6
136.08466	0.6
137.05980	100.0
138.06323	3.1
143.04959	0.5
143.08560	1.1
145.04953	1.1
145.06477	3.6
147.04449	0.9
147.08043	1.2
149.05991	2.2
151.07542	6.5
155.06136	0.4
157.06546	2.0
159.08025	0.5
161.06000	0.6
163.07549	31.1
164.07935	1.1
171.08063	1.8
174.06818	0.8
175.07527	2.2
177.05438	0.6
177.09129	0.9
182.31683	0.4
187.07578	0.8
188.08351	0.6
189.09116	3.2
201.09090	0.4
202.85738	0.3
203.10687	4.6
220.08658	0.4
221.11807	1.1
235.11177	1.0
245.09604	0.7
263.10715	1.7
295.10281	0.4
295.13287	15.1
296.13593	1.6
327.15912	32.5
328.16199	2.4
345.16928	4.5
569.73804	0.4
672.48694	0.4
694.09766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1847
Annotation	Diinsinin
Peak:m/z	Relative Intensity
57.03429	0.9
61.02922	0.5
62.01093	0.4
63.22645	0.4
69.03409	0.4
70.07132	1.6
73.02908	0.7
77.27050	0.5
85.02921	1.4
97.02917	1.0
98.97598	1.1
103.06958	0.5
110.97573	1.2
111.55230	0.4
116.98608	0.6
127.03909	0.6
128.98601	0.5
141.77661	0.4
146.02388	0.6
149.77408	0.4
152.02451	0.5
155.02905	0.9
158.99725	1.6
170.99716	1.1
177.00818	1.1
182.03418	0.9
189.00706	1.0
191.03932	1.3
191.54070	1.0
200.04488	1.4
201.00813	0.9
219.01808	1.5
222.33783	0.4
237.02875	0.6
261.02936	1.0
272.06564	1.0
272.56738	0.9
279.03989	0.4
281.07108	5.3
281.57150	2.9
282.07230	1.0
362.09705	3.6
362.59735	2.3
363.06580	2.5
381.07813	2.1
525.12152	12.3
526.12207	1.2
543.13245	15.1
544.13678	1.2
705.18451	100.0
706.18842	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	705.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17800	0.5
55.97832	0.6
56.96556	3.1
62.00223	0.5
66.51553	0.6
77.48846	0.6
84.96038	1.4
91.50517	0.7
92.53581	0.7
98.97584	13.2
101.17151	0.6
110.97560	8.7
112.99117	0.8
116.98645	3.3
117.31447	0.7
128.98628	6.7
131.00165	0.7
143.00159	0.8
146.99712	2.1
158.99651	9.7
170.99644	12.5
171.00963	0.8
173.01299	1.0
177.00725	5.5
182.84731	0.6
182.99730	2.1
189.00720	14.5
191.02385	1.7
201.00706	10.3
207.01825	1.9
213.00685	0.9
219.01790	12.2
221.02319	0.7
225.00681	0.9
231.01846	2.1
237.02744	4.1
243.01785	2.3
249.02867	2.2
261.02811	6.8
261.05103	0.7
273.02808	0.7
279.03885	4.0
284.39951	0.6
285.02887	1.9
291.03882	7.3
303.04001	1.8
309.04941	1.9
315.04221	0.7
321.04810	3.5
345.04675	0.7
351.06094	2.0
363.06369	3.5
364.06924	0.7
381.07129	10.1
399.08142	6.7
423.08292	3.5
453.09109	1.4
525.12146	13.2
526.12506	1.4
543.13013	20.7
544.13501	1.8
603.11859	0.7
640.58472	0.7
705.18414	100.0
706.18744	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	705.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24422	3.7
55.01869	10.5
55.05507	14.3
55.41630	3.5
55.42978	3.1
57.03428	12.3
57.07072	4.9
57.29136	3.7
61.02920	3.5
66.36897	4.0
67.05492	14.3
68.99787	3.8
69.03082	5.8
69.03433	90.5
69.07072	20.0
69.08243	7.1
69.08650	26.3
70.06597	10.7
71.04976	6.1
73.02900	10.4
79.05492	14.5
81.03427	4.6
81.07057	30.9
83.04983	15.2
83.08626	11.0
84.08195	3.4
85.02898	39.6
86.09739	4.2
87.00827	34.9
87.04480	5.7
91.05469	36.3
93.07041	29.6
93.98399	3.5
95.08614	50.8
97.02891	100.0
97.10120	4.9
98.23357	8.0
103.05470	6.9
105.01878	7.1
105.07041	55.3
107.04981	5.4
107.08601	51.5
107.41407	3.7
109.06524	4.4
109.10152	34.9
111.04448	20.0
111.08089	3.7
115.03934	87.9
115.05379	3.6
117.07023	10.3
119.08581	96.3
121.06538	6.4
121.10149	42.1
123.11718	12.6
127.03909	6.3
128.06235	11.5
129.05482	10.2
129.07005	12.0
131.08585	37.5
133.10127	56.0
135.08028	9.5
135.11697	23.9
136.06494	3.8
137.05991	12.6
137.13260	9.3
142.07808	5.5
143.08566	22.7
144.09262	5.3
145.04851	4.0
145.10129	89.9
147.08064	5.3
147.11699	35.2
148.94176	3.7
149.05933	4.1
149.09631	4.6
149.13268	12.1
151.11189	7.6
155.08495	8.4
156.09358	8.2
157.10149	31.0
159.08031	5.1
159.11699	68.4
160.12051	5.4
161.05974	5.1
161.09657	6.0
161.13252	26.5
163.07518	8.4
163.11160	8.8
163.14803	14.4
167.07083	6.8
169.10089	8.4
170.10907	10.9
171.06520	16.5
171.11713	24.5
173.13249	40.3
175.14781	25.9
177.12787	7.6
177.16330	13.5
182.10939	3.8
183.11679	30.3
185.13278	51.2
187.14818	95.7
188.15193	9.0
189.07529	8.5
189.09111	5.3
189.12740	5.3
189.16376	37.6
191.17955	8.8
197.13206	13.4
199.14832	41.1
201.03954	37.1
201.16379	76.2
202.16777	5.8
203.14330	15.6
203.17993	10.1
205.15834	38.0
207.17451	8.3
209.13251	7.4
211.14827	10.2
213.12778	4.9
213.16341	21.3
215.14304	10.9
215.17912	17.3
217.15945	10.9
219.05022	18.4
219.17403	11.2
225.16374	5.0
227.17850	9.8
229.15811	6.2
229.19533	8.3
231.13890	5.0
231.17513	8.3
237.16449	5.6
239.17943	4.4
243.13869	5.2
245.15375	17.4
253.19612	5.8
255.21089	11.4
259.17099	4.8
259.19827	3.6
261.93353	3.5
267.20956	6.4
285.18408	3.8
299.20242	5.3
301.10507	6.0
301.21988	9.6
313.21664	8.1
365.10403	5.1
387.30316	8.1
389.31992	9.1
393.24326	5.3
405.31454	34.8
406.31671	5.2
407.33112	14.0
423.32465	14.0
425.34140	7.5
433.30920	37.1
434.31277	4.1
451.32104	55.6
452.32416	6.4
469.33340	22.2
491.32187	13.1
506.64236	4.0
586.61292	4.1
684.55756	3.7
687.37506	34.8
688.37610	8.8
705.25677	10.8
705.37177	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	705.403
Annotation	Voacamidine
Peak:m/z	Relative Intensity
54.67072	0.2
55.26750	0.2
56.74467	0.2
67.78905	0.2
75.32453	0.2
84.55186	0.2
85.49326	0.2
87.04482	0.4
91.45110	0.2
123.65356	0.2
125.00003	0.2
160.73576	0.2
183.17239	0.2
185.04257	0.7
203.05386	0.2
228.79272	0.2
259.08005	0.6
264.00333	0.2
265.67102	0.2
268.86234	0.2
347.09500	1.3
421.13318	0.3
543.35034	19.2
544.35413	2.2
550.14337	0.2
588.63708	0.2
705.40277	100.0
706.40637	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	706.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.5
53.03949	0.7
55.01872	1.0
57.03440	0.5
61.02929	1.1
69.03442	1.9
69.49397	1.7
70.06594	1.0
70.13586	0.3
77.03928	0.7
79.05517	0.6
81.03426	1.0
85.02908	8.9
86.09709	0.4
89.03917	0.4
91.05479	2.8
94.04189	0.4
95.04991	0.8
95.41589	0.3
97.02901	2.5
99.04466	0.3
103.05473	25.6
104.05820	1.0
105.07038	1.2
107.04947	1.1
109.02867	0.7
109.06472	0.6
115.05462	0.4
117.07084	0.4
119.04932	3.0
119.08569	0.8
121.06510	3.4
122.03663	0.9
123.04411	2.2
124.05189	0.5
127.03913	1.3
129.07002	1.3
129.10278	0.5
130.04149	0.5
131.04929	100.0
132.05234	4.2
133.02873	1.6
133.06485	1.2
137.05980	24.8
138.06345	1.1
145.04961	2.5
147.04411	30.9
147.08049	5.5
148.04788	1.2
149.05991	7.4
150.06685	0.8
151.07552	6.9
157.06512	1.3
159.08037	0.4
160.05235	0.4
161.06010	2.7
162.06728	3.6
163.07541	89.4
164.07890	3.7
165.05450	0.6
165.06963	0.5
167.07037	0.6
167.08444	0.6
175.07552	18.7
176.07893	0.8
177.05479	1.7
177.06871	0.4
179.07079	1.8
179.08446	0.5
187.07552	0.8
193.08606	29.7
194.08960	1.2
195.08080	1.0
203.51654	0.4
205.06790	0.5
205.08504	2.0
211.07506	0.4
213.09059	0.4
221.05974	1.0
221.09581	0.5
223.07584	0.5
227.07028	0.4
227.10562	0.4
234.06787	0.5
239.07065	0.5
241.08578	0.9
251.06975	0.9
253.08722	0.8
253.12187	0.8
258.08957	0.4
267.10031	0.6
271.09598	2.3
273.11237	1.2
281.11786	0.7
283.09540	0.8
285.11008	0.3
297.11298	0.8
299.12823	4.0
311.12665	1.4
317.13831	20.5
318.14160	1.5
329.13705	0.7
465.55133	0.4
707.19879	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03963	0.5
55.01869	1.0
57.03434	0.6
61.02932	1.0
65.03953	0.7
69.03431	3.1
69.39859	2.0
70.06600	0.7
73.02914	0.3
74.31206	0.3
77.03937	0.7
79.05494	1.0
81.03419	1.3
84.04535	0.4
85.02908	7.2
91.05495	4.7
93.03418	0.5
93.07108	0.7
94.04182	0.5
95.04980	1.2
97.02890	2.2
99.04415	0.9
102.04681	0.7
103.05470	28.1
104.05830	0.8
105.03413	0.4
105.07049	2.6
107.04962	1.6
109.02890	1.2
109.06509	0.6
111.04420	0.4
115.05470	0.4
117.07085	0.5
119.04935	4.6
119.08566	0.8
121.06509	5.1
122.03655	1.4
123.04434	4.7
124.05233	0.5
125.05978	0.6
127.03938	2.4
128.06201	0.4
129.06989	1.9
130.04178	1.9
131.04929	100.0
132.05237	3.7
133.02847	3.3
133.06480	2.2
134.03638	0.4
135.04431	2.0
137.05977	37.5
138.06310	1.6
145.02895	0.5
145.04965	2.3
145.06451	0.4
147.04411	40.6
147.08058	6.0
148.04771	1.2
149.05984	11.3
150.06752	2.3
151.03963	0.8
151.07550	9.3
153.05542	0.5
153.06883	0.4
157.06537	0.9
159.04431	0.7
161.05984	6.8
162.06766	8.7
163.07541	84.0
164.07916	3.4
165.05484	1.2
165.06915	0.5
165.09149	0.5
167.07028	1.7
167.08565	0.9
173.05978	0.5
175.07556	22.6
176.07919	1.1
177.05522	3.7
179.07028	3.4
180.35802	0.3
182.07224	0.3
183.07986	0.4
187.07539	1.4
189.09128	0.5
191.06966	0.8
193.08609	33.3
194.07303	0.5
194.08904	1.6
195.08029	1.0
197.05981	0.4
203.07010	0.8
205.08600	7.7
210.06935	0.5
211.07539	0.9
212.33241	0.3
213.09109	0.5
215.07018	0.6
217.08681	0.6
221.06013	1.0
221.09581	0.5
223.07513	0.9
223.09616	0.6
238.06215	0.4
239.06984	0.7
241.08612	0.7
249.08946	0.8
251.07013	1.1
253.08646	1.0
253.12279	0.7
255.06479	0.4
257.08002	0.5
261.09018	0.5
267.10022	0.7
270.08722	0.5
271.09665	3.7
273.11115	1.1
277.10739	0.7
279.10010	0.4
281.11743	1.0
283.09671	1.8
285.11285	0.7
297.11234	2.4
299.09564	0.4
299.12790	5.9
300.13083	0.4
311.13040	1.9
317.13821	23.6
318.14090	1.7
329.13812	4.1
330.13956	0.4
342.55362	0.4
347.14914	1.1
429.25168	0.4
707.19476	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
61.74008	0.6
69.03443	1.4
70.06599	3.2
72.08147	0.7
81.03436	0.9
84.08126	1.6
85.02905	3.1
86.09721	1.4
91.05484	2.0
97.02882	1.0
103.05479	6.3
103.43288	0.7
104.05815	1.5
105.07050	1.2
107.04980	0.9
110.07172	0.8
119.04982	1.3
121.06509	1.4
122.50983	0.9
123.04459	1.8
131.04938	25.3
132.05261	8.0
133.02872	1.7
133.06540	0.9
137.05983	9.7
138.06337	2.9
147.04416	8.8
147.08086	1.3
148.04729	4.0
149.05965	3.6
150.06445	0.8
151.03912	7.8
151.07564	2.7
152.04279	1.8
152.07979	1.2
161.05975	1.6
162.06783	3.4
163.07558	19.9
164.07910	7.9
169.05013	3.0
175.07507	4.2
176.07941	2.5
179.07104	1.1
193.08633	7.3
194.09012	2.8
205.08652	1.9
206.08952	0.9
222.44157	0.6
237.02951	1.0
246.28281	0.8
271.09821	0.8
299.12888	0.9
317.13751	3.7
318.14191	3.5
323.05554	1.1
329.14008	1.2
330.14017	0.8
353.06992	1.0
359.83160	0.7
428.99307	0.8
436.67261	0.8
527.03607	0.9
545.14215	2.2
707.19470	100.0
708.19720	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88588	0.3
64.35711	0.3
69.55354	0.6
69.55759	1.8
82.99861	1.6
94.99815	0.6
97.02862	0.9
98.22671	0.4
101.00275	0.4
101.00878	5.6
113.00854	1.2
118.76875	0.4
119.01134	0.7
119.01920	9.6
120.02005	0.6
122.01381	1.2
127.02389	1.6
128.01343	0.5
131.01901	5.1
137.01843	1.3
137.02843	0.8
137.51912	0.4
139.02385	0.8
143.01894	17.7
143.51974	0.8
145.03462	6.5
147.01399	1.2
149.01884	0.8
152.02383	1.1
155.00760	0.6
155.01894	8.8
156.02066	0.4
157.03494	4.0
158.02394	0.6
161.02962	15.3
162.03017	0.5
163.04491	0.7
167.00499	0.4
167.01898	7.2
169.03516	2.4
171.05038	2.7
173.02966	17.1
173.52928	0.8
174.03017	1.1
175.04515	1.3
179.01825	3.3
179.02986	0.4
181.03603	0.6
185.02960	34.8
186.03143	2.4
187.04524	3.3
191.03934	0.5
197.02950	13.3
198.03166	1.0
199.04494	0.6
203.04001	11.3
204.04105	1.2
208.04535	0.5
209.02921	1.7
215.04010	9.9
216.04070	1.0
221.05016	1.4
224.04471	1.2
227.03978	7.9
228.04120	0.6
233.05135	0.8
239.03922	0.9
245.05067	100.0
246.05266	8.3
254.05568	0.9
257.05075	4.1
263.06128	13.8
264.06311	1.4
275.06116	11.3
276.06262	1.2
284.06616	2.3
284.56851	1.0
287.06161	0.6
293.07227	3.4
305.07166	11.1
306.07364	1.3
317.07062	0.6
335.08295	3.8
336.08057	0.5
347.08234	1.1
365.09308	42.4
365.59372	0.6
366.09534	4.7
383.10507	2.9
407.10904	0.5
425.11404	33.2
426.11472	3.8
437.11401	2.3
442.33121	0.4
455.12515	1.7
485.13507	0.5
545.12976	0.5
707.19214	12.9
708.19623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13946	0.7
53.03951	0.8
60.04556	0.7
64.31699	0.7
67.05515	0.9
70.06593	0.8
71.31693	0.8
74.11486	0.8
79.05509	1.0
82.06586	0.9
91.05496	1.6
93.07056	2.6
94.06609	4.2
95.07369	3.1
96.08125	6.9
108.08111	6.8
110.09689	10.0
120.08098	8.4
121.06547	0.9
122.06031	3.8
124.07602	0.8
136.07552	5.7
138.09146	13.7
148.07639	2.0
150.09154	1.1
151.06158	0.7
166.08638	14.1
191.24821	0.7
205.04901	0.9
209.10783	1.4
221.10762	1.1
223.12427	1.2
225.10135	1.7
235.08711	3.3
236.09552	3.4
237.10226	13.6
238.10754	1.5
239.11751	2.2
241.83533	0.8
247.08470	0.9
248.09407	1.6
249.10239	16.7
250.10919	4.4
251.08226	1.4
251.11807	5.9
252.08659	0.9
252.12482	0.8
253.09732	3.1
255.11377	1.3
259.65039	0.8
261.10181	3.6
262.10913	1.0
263.08191	2.4
263.11890	1.5
264.08951	7.3
265.09698	14.6
265.13779	0.7
266.10449	3.9
267.11221	6.0
269.09247	2.4
275.08224	0.9
276.08951	1.7
277.09729	14.8
278.10474	7.2
279.08148	1.2
279.11252	11.4
279.14182	0.9
280.12051	4.6
281.09238	2.8
281.12732	1.5
282.09988	1.1
283.10730	1.8
289.09708	1.1
291.07877	1.7
291.11346	2.6
292.08502	2.4
292.12067	2.9
293.09277	25.2
293.12845	6.1
294.09885	3.3
295.10825	2.9
297.12415	1.8
304.08347	1.5
305.09198	5.5
306.10004	4.0
307.10715	10.7
308.11465	1.4
309.08795	2.5
309.12405	5.6
310.09451	1.4
310.13031	1.3
311.10406	1.8
311.13828	1.5
312.11130	2.7
313.12030	1.8
316.14685	1.1
319.10751	3.8
321.12555	1.6
322.13339	0.8
323.10287	4.9
324.11084	2.4
325.11957	4.5
325.15530	1.2
326.12692	1.7
327.13501	5.2
328.14468	1.3
333.08722	2.9
337.11847	5.0
338.12790	2.3
339.13422	14.2
340.13986	2.5
341.15143	1.4
342.12314	2.0
342.16104	1.6
343.13019	1.7
344.13837	0.9
351.09732	12.9
351.13647	1.4
352.10327	1.8
352.14420	1.6
353.11411	1.9
353.15179	1.2
354.12006	1.6
355.13007	2.4
356.13889	3.5
357.14832	0.9
358.15494	1.8
359.16000	1.1
365.11371	8.1
366.11975	3.6
367.12961	1.5
369.10715	1.1
369.14755	1.6
370.11725	2.5
370.15701	1.6
371.12418	2.3
372.17148	1.4
382.11612	3.3
383.12399	5.0
384.13199	2.9
385.13947	7.2
386.14734	1.4
388.16208	1.3
397.13934	16.8
398.14597	4.8
399.15515	1.2
400.16672	2.9
402.18219	0.9
414.18378	1.0
416.16229	2.0
418.17453	5.0
419.18121	0.9
426.14407	2.5
428.16046	2.7
432.19290	1.5
433.19885	0.8
442.17990	1.1
444.15576	2.0
446.17056	6.1
454.13788	5.9
458.17477	0.9
460.18716	3.0
462.20657	1.2
472.15021	14.8
473.15564	2.0
474.16913	2.6
477.19077	2.0
478.19534	4.6
486.16293	1.1
490.19794	2.6
492.17215	8.0
504.17731	4.0
518.19202	8.2
519.19995	2.4
522.22382	1.1
524.24188	8.7
525.24127	0.9
536.20477	3.9
550.21844	100.0
551.22473	52.8
552.23035	5.1
568.22888	30.7
569.23340	3.4
607.21741	2.7
625.23199	6.0
626.22833	1.1
639.24207	4.6
640.24463	1.2
657.25623	15.7
658.25623	3.8
675.26801	5.3
676.26428	1.0
707.28528	4.0
707.39880	1.8
708.28961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08523	0.1
53.86893	0.1
54.43428	0.1
57.89725	0.1
67.01866	0.5
67.05486	0.2
68.99814	0.2
74.04303	0.1
79.05505	0.3
81.03406	0.1
81.07037	0.3
85.02895	0.2
91.05454	0.1
93.07042	0.3
95.56502	0.1
105.07040	0.2
109.10157	0.2
117.03366	0.2
119.08627	0.3
129.01816	0.2
131.08536	0.2
133.10117	0.2
135.04425	1.5
137.02365	0.5
147.11722	0.2
151.40454	0.2
153.01828	4.8
158.23184	0.1
161.02345	0.8
171.02902	0.8
179.03468	0.3
179.53595	0.1
219.06395	0.1
228.35832	0.1
241.04982	0.7
263.05609	0.2
269.04462	0.5
271.05975	0.3
287.05493	100.0
288.05832	5.3
288.09061	0.3
309.17068	0.1
321.85382	0.1
505.39151	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	708.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01864	27.1
55.05511	23.9
57.03433	9.2
59.03070	4.4
59.04995	2.6
65.03951	2.4
67.05174	3.4
67.05504	32.2
69.03425	9.6
69.07070	23.2
69.54588	2.1
71.01340	5.0
71.04990	18.3
71.30863	2.7
73.02887	2.8
79.05058	3.9
79.05493	47.4
80.79900	2.2
81.03381	2.5
81.07057	79.5
82.07397	4.2
83.01344	13.1
83.04977	45.1
83.08616	8.2
85.02886	10.8
85.06538	8.1
87.00844	2.7
87.04472	5.4
91.05479	39.2
93.07040	78.3
94.07376	3.2
95.04968	39.7
95.08606	38.8
97.06529	44.4
99.02534	7.8
99.04468	17.0
99.08110	2.3
99.90254	2.4
101.02386	9.1
101.04108	6.2
103.05463	2.1
105.04524	2.9
105.07029	87.8
106.07359	3.1
107.04967	5.5
107.08593	57.9
109.02937	2.4
109.06528	36.2
109.10168	9.8
111.00812	16.0
111.04419	2.8
111.08078	39.3
111.08768	4.0
113.00444	7.8
113.04051	5.7
113.06039	3.5
115.03922	10.5
115.05597	6.5
116.10769	2.6
117.07023	9.8
119.03420	2.2
119.04944	3.4
119.08574	54.8
121.06508	55.6
121.10134	15.5
123.04449	5.7
123.08070	13.0
123.11666	15.5
125.05996	16.8
127.02004	17.7
127.03873	5.1
127.07552	7.6
128.06236	4.2
129.01907	4.9
129.03534	6.0
129.07027	7.9
131.08559	12.3
133.06480	5.1
133.10132	41.0
134.10472	2.7
135.04474	3.1
135.08041	33.5
135.11682	2.3
137.05998	8.2
139.07530	26.8
140.99901	2.6
141.03543	7.2
141.05418	2.5
142.07719	10.9
143.03404	10.3
143.07065	3.8
143.08585	11.4
145.03012	10.5
145.10114	15.1
147.04422	3.6
147.08046	7.6
147.11682	100.0
148.12032	4.6
149.06039	2.7
149.09616	6.0
149.13280	7.0
151.11195	14.4
153.09134	4.4
155.01494	11.9
156.09285	2.3
157.01343	8.7
157.08771	2.8
157.10117	29.4
159.00938	4.6
159.04639	4.5
159.06474	3.0
159.11641	2.6
161.04460	2.9
161.06007	3.2
161.13257	15.9
163.11127	2.7
165.12764	41.0
169.03069	9.0
169.12234	29.5
171.02917	10.3
171.11688	21.2
172.12001	2.8
173.02530	11.8
173.09636	5.6
173.13237	3.2
175.11185	80.7
176.11536	3.2
181.10167	5.5
187.04066	17.3
189.03932	14.9
189.12746	43.3
190.13104	3.0
191.10611	3.7
191.14366	2.6
193.12241	92.5
193.39351	2.5
194.12602	6.3
197.02553	4.0
199.11177	24.8
200.11507	2.1
201.16351	3.6
207.13805	8.7
211.13275	48.7
212.13593	3.2
215.03630	6.8
217.12228	85.0
218.12617	6.5
225.14885	2.4
229.05095	3.0
231.05011	13.1
233.04588	17.1
235.13284	75.4
236.13623	6.9
247.06204	13.6
251.05780	6.0
253.14328	44.0
255.13914	2.9
265.07266	7.5
267.15961	2.6
274.24524	2.3
275.05792	3.6
285.09357	3.3
287.05432	5.5
313.09244	3.4
357.09781	5.3
381.15402	7.8
397.16501	3.3
399.16507	2.3
405.15576	5.2
407.14853	3.2
421.16391	2.8
423.16510	55.7
424.16852	7.8
425.16043	12.7
441.17276	17.5
443.17419	18.3
449.16287	16.7
467.17221	55.1
468.17493	3.3
481.18750	16.6
485.18375	16.5
546.80914	2.6
637.18982	5.8
655.20361	17.1
656.20404	2.4
673.20978	9.6
709.37421	7.9
716.33228	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	708.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
53.60835	1.3
55.01865	2.2
55.05510	10.8
57.03445	3.9
57.07070	1.6
61.02930	26.6
61.15355	1.4
67.05505	52.9
69.03427	3.7
69.07060	8.6
69.64985	1.4
69.75602	3.8
69.75993	2.6
71.04971	1.5
73.02921	8.2
79.05485	26.7
79.45377	1.2
81.07059	59.0
83.04977	2.4
83.08616	6.1
85.02422	2.7
85.02907	35.8
85.06538	2.7
91.03956	26.6
91.05477	16.5
93.07041	36.6
95.04959	3.1
95.08608	45.5
95.44460	1.4
97.02902	20.0
97.06546	2.1
97.10173	3.9
99.04493	3.2
99.08103	2.4
104.14549	1.5
105.07048	12.4
107.08595	22.8
109.02870	1.8
109.10158	25.0
115.03920	1.7
117.07026	8.4
119.08561	12.9
121.10148	24.1
123.08116	2.2
123.11715	17.9
125.09625	2.2
127.03902	11.1
131.08568	15.6
133.10121	15.0
135.11688	23.4
137.09598	2.2
137.13237	6.7
139.11043	2.2
145.04961	17.6
145.10115	11.2
147.11674	10.5
149.13271	17.6
150.97340	1.4
151.11168	1.5
151.14886	1.6
159.11688	12.7
161.13263	10.8
163.06020	17.7
163.14806	11.6
165.12776	1.9
173.13229	12.0
175.14796	3.4
177.16382	3.6
179.14290	2.6
187.14807	9.1
191.14197	1.6
194.10191	2.2
201.16312	3.7
215.17853	2.2
229.46114	1.3
231.42830	1.3
231.45930	1.4
233.22679	3.8
243.21074	31.1
244.21516	2.2
261.22137	100.0
262.22516	6.5
269.85141	1.3
279.23187	7.0
335.25821	27.2
336.25995	4.0
353.22604	2.6
353.26855	40.8
354.27188	4.7
357.15475	1.5
539.12952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17244	2.1
70.06606	0.8
81.47489	0.2
84.08178	0.4
85.02888	0.3
103.01471	0.3
110.07196	0.5
111.04278	0.4
131.04929	0.4
136.07599	0.3
157.04768	0.6
159.04173	11.4
160.04633	0.4
185.04204	1.7
187.03606	0.3
193.71666	0.3
253.65387	0.3
259.52969	0.3
261.80844	0.3
322.10168	2.7
337.91327	0.3
347.09732	0.4
369.13071	0.5
379.13776	0.3
384.15475	0.5
385.16296	2.9
388.13663	0.3
393.15222	0.5
395.13235	0.4
531.18414	1.1
533.98932	0.3
547.21478	16.3
548.21906	2.0
709.26733	100.0
710.27075	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
67.01868	0.6
67.05498	0.2
68.99781	0.5
69.00114	0.1
69.03413	0.1
69.10537	0.3
71.37953	0.0
79.05479	0.2
81.03410	0.2
81.07041	0.1
82.33097	0.0
85.02884	0.0
89.03919	0.2
91.05475	0.1
92.25170	0.0
93.07025	0.1
95.04944	0.1
95.08590	0.2
97.02890	0.1
97.20982	0.0
105.06989	0.1
107.04992	0.1
107.08592	0.1
109.02876	0.1
109.10133	0.1
111.00800	0.1
111.04459	0.1
115.05426	0.0
117.03381	0.2
119.08537	0.1
121.10168	0.1
127.03912	0.1
129.01842	0.2
131.08574	0.1
133.10165	0.1
133.81363	0.0
135.04417	1.6
136.04700	0.0
137.02351	0.6
153.01822	5.5
154.02226	0.1
157.06448	0.1
161.02319	0.8
169.48587	0.0
171.02898	0.7
179.03400	0.3
185.05998	0.1
189.05566	0.1
201.05534	0.1
203.03438	0.2
213.05463	0.2
219.06477	0.2
220.06580	0.1
221.78563	0.0
231.06538	0.1
241.04924	0.7
245.04420	0.2
259.06128	0.1
261.22153	0.1
263.05585	0.1
269.04337	0.3
270.05005	0.1
285.18271	0.1
287.05481	100.0
288.05811	6.3
315.07660	0.1
329.06522	0.1
449.10693	0.1
709.31995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.5
57.03445	2.3
57.46836	1.3
59.04992	1.9
61.02922	2.9
67.05504	4.7
68.16013	1.0
69.03419	5.1
69.07067	2.5
70.06605	2.0
71.04997	45.5
71.31643	1.1
75.04485	4.2
79.05488	3.5
81.07054	6.2
83.04985	51.0
84.04528	1.2
85.02425	2.3
85.02908	34.9
87.04489	6.7
91.05460	3.5
93.07037	4.5
95.04966	3.6
95.08604	11.1
97.02922	2.2
97.06502	1.1
99.04449	2.3
101.06010	1.2
105.07024	8.2
107.08600	5.2
109.10148	3.1
111.04446	61.2
113.05219	1.9
113.06001	20.8
115.03928	3.5
117.05494	10.6
117.07006	2.3
119.08572	11.6
120.08144	1.5
121.06515	2.1
121.10154	3.9
126.98677	1.1
127.03911	3.3
129.05481	75.7
130.05882	2.2
131.08551	6.5
133.06558	1.4
133.10127	5.2
135.08087	2.2
143.08559	2.6
144.67659	1.1
145.10121	9.6
147.07909	1.5
147.11719	2.3
149.13234	2.3
153.05450	2.1
155.08467	1.4
157.10149	4.1
159.11713	5.8
161.09644	2.0
161.13277	1.9
169.10052	1.9
171.06526	39.1
171.11656	2.7
173.13290	3.9
175.14960	1.9
185.13222	2.1
187.14853	11.4
189.07584	100.0
189.12787	2.5
189.16373	2.6
190.07861	3.6
193.08632	1.3
197.13316	2.3
199.14798	4.3
201.12697	1.6
201.16408	4.6
203.14323	7.4
203.17825	1.5
205.15921	3.1
211.14752	1.4
213.16365	3.6
215.14311	3.0
217.15913	3.3
221.15594	1.3
225.16287	1.2
229.15881	2.2
231.17523	1.8
383.11273	3.4
403.30017	2.8
421.30890	3.2
429.31879	1.6
437.30649	1.7
449.30228	3.4
455.31601	18.2
456.31860	1.5
467.31552	3.7
485.32468	13.4
503.33499	5.4
673.39496	1.5
709.39429	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	709.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78278	1.4
52.36569	1.3
52.38050	1.3
53.03962	1.5
55.01874	2.5
55.05511	9.7
57.03437	4.1
59.05006	1.1
60.63015	1.1
60.93106	1.1
61.02934	3.8
67.05514	5.4
69.03428	8.1
69.07075	1.5
71.04594	2.3
71.04997	47.9
71.30694	2.3
75.04478	2.7
79.05503	4.7
81.03401	2.4
81.07053	8.3
83.04483	2.4
83.04986	48.9
85.02907	41.9
85.06583	2.0
87.04479	5.0
91.05481	4.7
93.07065	6.6
95.04989	4.2
95.08601	10.8
97.02882	1.7
97.06499	1.4
99.04464	3.5
101.06052	2.0
105.07033	9.7
107.08595	9.4
109.06536	3.4
109.10173	5.1
111.04448	56.3
113.06001	17.9
115.03957	2.9
117.05491	9.0
117.07002	1.5
119.08588	13.1
121.06540	2.3
121.10174	5.4
123.08074	2.1
123.11712	2.1
125.06020	2.0
127.03930	4.0
129.05479	62.3
129.07022	2.7
131.08597	6.7
133.10120	7.6
135.08044	2.7
135.11708	2.1
137.09639	1.3
143.08546	4.0
145.06543	1.6
145.10089	8.0
147.08080	2.1
147.11723	4.2
155.08569	1.4
157.10170	3.9
159.11690	5.7
161.09651	1.8
161.13303	3.4
169.10150	1.6
171.06538	43.8
171.11746	4.3
173.13293	2.8
175.11172	2.3
175.14825	2.9
183.11591	1.8
185.13301	2.1
187.14824	11.4
189.07585	100.0
189.12724	3.2
189.16393	2.9
190.07906	3.2
191.14342	2.0
193.12291	2.8
197.13306	1.4
199.14801	2.0
201.16443	5.9
203.14360	8.5
213.16408	2.3
215.14389	2.8
217.15942	1.8
231.17372	1.9
247.16914	1.8
287.05655	1.8
403.29938	1.9
421.31079	1.5
449.30493	3.0
450.55637	1.2
455.31525	17.7
456.31992	2.2
467.31516	3.9
480.12570	1.5
485.32651	16.4
486.33109	1.5
503.33444	5.9
513.32886	1.3
542.20380	1.6
665.37006	1.3
709.39435	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	709.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78278	1.4
52.36569	1.3
52.38050	1.3
53.03962	1.5
55.01874	2.5
55.05511	9.7
57.03437	4.1
59.05006	1.1
60.63015	1.1
60.93106	1.1
61.02934	3.8
67.05514	5.4
69.03428	8.1
69.07075	1.5
71.04594	2.3
71.04997	47.9
71.30694	2.3
75.04478	2.7
79.05503	4.7
81.03401	2.4
81.07053	8.3
83.04483	2.4
83.04986	48.9
85.02907	41.9
85.06583	2.0
87.04479	5.0
91.05481	4.7
93.07065	6.6
95.04989	4.2
95.08601	10.8
97.02882	1.7
97.06499	1.4
99.04464	3.5
101.06052	2.0
105.07033	9.7
107.08595	9.4
109.06536	3.4
109.10173	5.1
111.04448	56.3
113.06001	17.9
115.03957	2.9
117.05491	9.0
117.07002	1.5
119.08588	13.1
121.06540	2.3
121.10174	5.4
123.08074	2.1
123.11712	2.1
125.06020	2.0
127.03930	4.0
129.05479	62.3
129.07022	2.7
131.08597	6.7
133.10120	7.6
135.08044	2.7
135.11708	2.1
137.09639	1.3
143.08546	4.0
145.06543	1.6
145.10089	8.0
147.08080	2.1
147.11723	4.2
155.08569	1.4
157.10170	3.9
159.11690	5.7
161.09651	1.8
161.13303	3.4
169.10150	1.6
171.06538	43.8
171.11746	4.3
173.13293	2.8
175.11172	2.3
175.14825	2.9
183.11591	1.8
185.13301	2.1
187.14824	11.4
189.07585	100.0
189.12724	3.2
189.16393	2.9
190.07906	3.2
191.14342	2.0
193.12291	2.8
197.13306	1.4
199.14801	2.0
201.16443	5.9
203.14360	8.5
213.16408	2.3
215.14389	2.8
217.15942	1.8
231.17372	1.9
247.16914	1.8
287.05655	1.8
403.29938	1.9
421.31079	1.5
449.30493	3.0
450.55637	1.2
455.31525	17.7
456.31992	2.2
467.31516	3.9
480.12570	1.5
485.32651	16.4
486.33109	1.5
503.33444	5.9
513.32886	1.3
542.20380	1.6
665.37006	1.3
709.39435	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	710.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84484	3.2
53.03941	5.6
55.01874	3.4
55.05514	11.2
56.75438	2.5
56.75803	2.5
57.03444	18.7
61.02927	13.2
64.84534	3.4
67.05509	26.3
69.07067	14.8
73.02911	3.8
79.05501	33.3
81.03418	5.4
81.07060	39.4
83.04986	3.9
83.08630	5.4
85.02926	11.0
85.06561	3.4
91.03963	7.9
91.05490	28.8
93.07055	43.7
95.04977	7.4
95.08624	36.2
97.02895	8.0
97.06525	3.3
98.23505	4.7
99.04534	3.7
105.07040	27.3
107.08598	28.8
109.02888	3.6
109.10159	17.7
111.08112	3.1
117.07031	15.1
119.08582	29.4
121.10161	24.8
123.11749	3.9
127.03947	4.7
131.08594	15.7
133.10127	24.7
135.08000	3.4
135.11717	21.2
143.08583	4.7
145.10165	13.7
147.11697	15.4
149.09642	3.5
149.13242	7.2
152.07191	2.9
157.10127	5.3
159.11714	11.1
161.13269	10.4
163.06052	4.7
171.11676	5.2
173.13329	7.7
175.14758	4.5
185.13257	4.3
187.14819	10.1
195.91473	3.4
219.17490	5.3
229.21103	3.1
241.19594	11.7
259.20630	27.7
277.21695	20.1
333.24335	8.5
351.25320	100.0
352.25775	10.6
466.30048	3.0
513.30426	9.1
549.54053	3.6
606.22552	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.3
55.01874	5.4
55.05512	16.9
57.03432	7.2
61.02928	10.4
67.05507	48.5
69.03437	3.9
69.07072	20.6
70.24665	6.4
71.05004	3.0
73.02935	3.6
79.05492	30.0
81.03431	3.6
81.07063	42.6
83.04991	4.0
83.08649	11.2
85.02922	13.5
85.06580	2.4
91.03950	7.5
91.05479	24.4
93.07049	38.4
95.04980	5.3
95.08616	28.8
97.02911	11.1
97.06529	6.8
97.10179	6.7
99.08083	2.0
103.49833	1.8
105.07029	26.6
107.08590	27.0
109.06493	2.3
109.10157	23.1
111.08099	5.0
115.05394	2.2
117.07014	9.8
119.08574	22.6
121.06446	2.5
121.10126	16.7
123.08108	3.0
123.11680	4.0
125.09619	6.7
127.03910	5.8
129.06984	4.7
131.08566	10.3
133.10121	14.8
135.11688	16.8
137.09628	2.1
145.04976	4.5
145.10123	8.9
147.11714	18.0
149.13284	6.7
157.10100	4.2
159.11667	9.8
161.13239	11.4
163.05998	2.4
163.11153	3.0
163.14926	2.4
163.94023	2.1
171.11743	4.5
173.11771	6.9
173.13193	3.6
175.14804	2.8
177.12723	3.7
179.14322	2.4
185.13217	4.4
189.11263	4.0
189.12819	2.3
197.39441	1.8
199.14955	1.9
227.12898	2.5
227.66254	1.8
229.14389	12.3
231.21136	2.1
241.19444	8.2
243.13913	1.8
259.20560	23.7
277.21674	25.2
317.70981	1.8
333.24167	5.6
351.25296	100.0
352.25647	9.3
369.26395	6.9
417.52075	2.1
455.16397	2.2
477.28415	2.1
511.40286	2.0
513.30579	7.1
598.46472	2.4
666.32062	5.0
710.31396	10.6
711.31891	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.0
57.03438	7.6
57.07079	4.4
61.02928	35.4
65.03971	4.3
67.05504	51.6
69.03428	4.9
69.07079	19.4
71.08624	3.5
71.31021	4.6
73.02926	10.2
73.56179	3.6
75.82767	3.7
79.05496	22.2
81.07063	68.0
83.08619	15.9
83.61314	3.1
85.02914	49.0
91.03956	28.6
91.05476	13.1
93.07059	23.1
95.08608	63.8
97.02863	17.5
97.06528	6.1
97.10173	12.5
105.07014	12.9
107.08565	9.8
109.10149	31.1
111.08043	4.8
111.11732	6.9
119.08516	8.0
121.10148	13.3
123.11694	16.0
124.16376	3.9
127.03925	13.3
129.93285	3.6
133.10123	14.2
134.58545	3.8
135.11684	13.0
137.13298	8.4
142.31584	3.7
145.04980	18.0
147.11717	7.4
149.13228	7.7
151.14859	6.9
155.00356	3.5
161.13269	15.5
163.06047	21.2
163.07167	3.7
163.14868	12.2
165.16391	8.0
169.74533	3.8
175.14874	7.8
179.17923	10.2
189.16278	5.5
245.22675	63.7
246.23114	5.5
263.20941	5.7
263.23703	100.0
281.24881	5.1
337.27353	68.7
338.27457	4.1
355.28439	13.6
366.53085	3.8
613.39008	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	711.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	1.3
70.70810	0.4
72.08166	1.6
83.43470	0.4
84.99946	0.5
86.09740	0.7
103.88498	0.4
117.93150	0.4
120.08146	0.8
123.69677	0.4
126.25719	0.4
131.04956	0.4
134.30905	0.4
137.06003	0.5
141.24562	0.5
163.03922	1.2
169.04872	0.5
175.03711	1.4
177.05646	0.5
185.04219	4.0
189.05238	14.3
189.06918	0.8
190.06007	3.0
207.06290	0.6
219.06334	1.0
267.55359	0.4
309.07599	0.7
310.09732	0.4
341.06671	1.9
351.10507	4.1
352.11200	2.7
353.12064	1.0
365.12051	4.3
387.14154	15.2
388.14749	0.8
483.18875	0.5
549.19501	17.7
550.19879	2.0
607.80713	0.5
638.91492	0.5
694.32098	0.5
711.24683	100.0
712.24988	14.3
712.67413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85966	0.4
70.06590	2.2
71.31814	0.6
72.08147	1.4
76.80390	0.5
84.08173	0.5
86.09702	1.1
88.68021	0.5
92.55332	0.4
93.35397	0.4
108.53555	0.4
110.07124	0.5
112.28777	0.5
113.02158	0.5
115.87625	0.4
120.08172	0.6
131.55205	0.5
134.42877	0.5
137.05991	0.6
163.03918	0.8
175.03741	1.6
177.05559	0.5
183.40413	0.5
185.04216	4.1
189.05258	14.7
190.05945	3.1
191.06638	0.6
203.03363	0.6
219.06390	1.3
309.07550	0.9
337.06940	0.7
341.06653	1.8
351.10452	3.4
352.11200	3.4
353.11926	0.8
365.11981	3.9
387.14160	13.9
388.14636	1.0
425.93103	0.7
501.16748	0.9
531.18317	0.6
549.19458	19.2
550.19727	1.8
711.24664	100.0
712.25006	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71849	0.1
59.68357	0.1
67.01865	0.4
67.05498	0.3
67.71981	0.1
68.99782	0.4
69.07061	0.1
69.22802	0.1
69.23205	0.3
71.08607	0.1
79.05491	0.2
81.03423	0.2
81.07058	0.3
83.08611	0.1
85.02886	0.1
89.03918	0.2
91.05471	0.1
93.07038	0.2
95.08600	0.2
97.02866	0.1
101.31233	0.1
105.07016	0.1
109.02848	0.1
117.03400	0.2
119.08511	0.1
129.01811	0.1
135.04417	1.2
137.02338	0.5
149.98625	0.1
153.01828	4.3
154.02214	0.1
159.67967	0.1
161.02301	0.6
171.02902	0.6
179.03423	0.3
185.06003	0.1
189.05406	0.1
213.05511	0.1
219.06540	0.2
231.06497	0.1
241.04976	0.6
245.04405	0.1
259.06134	0.1
263.05304	0.1
269.04526	0.3
287.05487	100.0
288.05823	5.4
711.33484	0.4
711.43811	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	711.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	2.2
55.05513	5.0
57.03438	4.3
57.07069	0.7
61.02925	5.5
65.03936	0.8
67.05500	5.3
69.03426	17.4
69.07064	60.0
70.07396	1.1
71.04995	3.2
71.31572	0.4
71.32296	0.4
73.02901	1.9
73.06551	8.9
77.03927	0.6
79.05487	8.6
81.02985	0.2
81.03412	9.1
81.07055	12.1
83.01348	0.9
83.04977	1.2
83.08609	0.8
85.02901	39.2
85.06550	1.2
86.03250	0.8
87.04465	2.4
88.23086	0.4
91.03957	1.7
91.05476	11.3
93.07040	14.1
95.04966	4.0
95.08598	6.7
97.02380	0.2
97.02884	14.6
97.06525	19.8
97.10165	0.7
99.04460	2.7
99.08085	1.6
101.02390	0.6
103.05468	0.9
105.07025	18.6
106.07341	0.5
107.04959	2.9
107.08591	9.2
109.02872	4.9
109.06515	22.2
109.10153	3.8
110.06818	0.7
111.08075	1.3
113.06006	0.6
115.03909	0.5
115.05446	2.3
115.07565	28.8
117.07011	8.7
119.08572	26.4
120.08907	0.8
121.06501	15.5
121.10131	7.5
122.06783	0.6
122.10461	0.3
123.04405	0.7
123.08059	1.8
123.11700	1.6
125.05983	1.1
125.09625	2.7
127.03918	7.7
127.07619	0.8
127.11177	1.4
128.04245	0.3
128.06201	3.8
129.05586	0.5
129.07010	8.6
130.07828	2.5
131.08563	12.1
133.06508	1.1
133.10115	6.7
133.11028	0.6
135.08046	4.2
135.11658	2.7
137.05951	2.9
137.09596	1.7
141.06975	4.5
142.07780	5.0
143.08554	24.6
144.08908	0.9
145.04967	6.1
145.06366	0.6
145.10110	30.1
146.10518	1.1
147.08032	3.4
147.11684	7.7
147.12856	0.5
149.09636	2.0
149.10678	0.4
149.13309	2.0
151.07509	1.2
152.06168	0.6
153.06973	1.5
154.07774	1.7
155.08542	15.5
156.09193	0.8
157.06456	1.1
157.10120	20.7
158.07262	0.4
158.10551	0.8
159.08075	2.5
159.11674	10.8
160.12035	0.5
161.09616	3.2
161.13234	3.0
163.07516	0.7
163.11171	8.7
163.14810	2.0
165.06976	2.1
165.09038	0.5
165.12839	0.4
166.07724	1.4
167.07124	0.6
167.08586	4.1
167.10674	13.7
168.09343	1.2
168.10901	0.6
169.10117	14.3
169.12225	0.6
170.10887	1.7
171.08051	7.3
171.11670	13.9
172.12372	1.8
173.09616	7.4
173.13249	6.5
175.11171	2.7
175.14816	1.4
177.16376	0.5
178.07764	3.0
179.08543	4.9
179.10710	0.4
180.09293	1.5
181.10106	9.3
181.12163	0.9
182.10796	1.1
183.11682	10.0
184.12384	1.5
185.09677	1.3
185.13243	5.1
186.10353	0.6
187.11211	2.0
187.14780	1.4
189.09024	0.5
189.12758	0.8
189.16452	0.9
191.08603	1.5
191.10643	0.6
192.09282	5.1
193.08826	0.5
193.10129	13.1
194.10793	2.0
195.11674	7.9
196.12328	1.3
197.09648	0.4
197.13255	7.4
198.13884	1.1
199.11188	1.4
199.14809	6.3
201.12712	1.5
201.16376	1.6
204.09302	0.5
205.10164	5.2
205.12038	0.4
206.10860	4.0
207.11678	19.2
208.12256	2.5
209.11700	0.3
209.13277	6.0
210.13947	1.4
211.11238	2.1
211.14757	4.7
212.15378	0.7
213.12721	1.3
213.16379	1.6
215.14441	0.4
217.15880	0.6
219.11665	6.8
220.12450	5.3
221.13248	10.9
222.13734	1.0
223.11371	0.7
223.14799	10.8
223.16876	0.8
224.15485	2.3
225.12854	1.9
225.16388	4.3
227.14352	2.1
228.15056	2.3
232.12477	0.4
233.13301	1.4
234.14020	7.7
235.14690	1.5
237.12708	0.7
237.16360	1.2
238.13499	1.4
238.17235	0.9
239.14357	3.5
239.17920	14.7
240.18275	1.0
241.15919	1.3
241.19496	1.1
243.17401	0.6
247.14798	1.6
249.16371	100.0
250.16754	7.2
251.18018	2.1
252.15125	1.6
253.19431	0.6
265.15833	1.2
266.16525	0.4
267.17419	86.8
268.17801	6.0
269.13858	0.6
269.19067	3.1
269.22391	2.4
277.19397	0.6
279.21097	6.3
281.56198	0.5
283.16684	0.7
285.18488	8.8
286.18771	0.6
295.20596	0.8
297.22113	15.9
298.22446	1.0
309.18469	9.8
310.18951	0.6
315.23145	3.3
327.19519	30.9
328.19678	2.1
329.20889	0.8
335.66425	0.3
339.23035	1.3
345.20572	2.6
352.31976	0.3
357.24252	2.7
365.28406	0.5
369.20609	1.6
375.26797	2.0
383.29367	1.1
387.21622	82.4
388.21973	6.5
389.23190	0.6
393.27841	6.3
394.27911	0.8
405.22678	3.3
411.28879	11.5
412.29233	0.9
417.26636	1.8
417.31277	0.4
429.29852	2.6
435.29358	0.4
453.30020	2.0
471.31088	4.7
513.31677	1.0
529.30914	0.5
531.32977	3.6
532.33221	0.4
549.34192	44.0
550.34412	5.1
675.37183	0.8
693.38159	0.5
711.25531	2.0
711.40045	3.8
712.40814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.31895	0.8
56.43771	0.8
57.07067	2.4
67.05493	3.3
69.07072	1.4
71.05566	0.9
71.08648	1.5
79.05499	1.0
81.07056	2.8
83.05029	0.7
83.08611	1.6
91.05518	1.5
93.07041	1.1
95.08612	3.0
104.05014	4.1
105.07023	1.4
107.08587	1.8
109.10176	3.0
111.03182	1.7
111.04436	2.4
119.08557	1.1
126.05539	3.7
132.04454	28.6
134.06029	1.2
136.04004	0.8
137.09598	4.1
139.03888	14.3
140.03412	1.0
148.03972	1.8
149.04669	1.3
154.04993	14.7
155.05777	3.9
160.03998	1.9
162.06831	1.0
164.03409	2.4
164.07072	38.2
165.04295	1.5
165.09123	43.3
165.48720	0.9
166.04967	3.8
166.09404	2.7
168.06647	1.0
177.04214	13.0
177.05670	1.0
178.04993	7.1
179.05782	3.3
180.06516	2.7
192.06563	31.6
193.07327	1.8
206.04488	7.0
210.07614	5.6
220.05989	1.6
238.07092	0.8
252.05066	2.3
266.06552	1.6
284.07648	100.0
285.07956	5.5
631.12256	0.9
657.29022	0.8
712.43713	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99570	0.2
69.03423	0.4
69.50497	0.3
69.50896	0.6
70.06575	0.2
75.04510	0.2
78.28680	0.2
79.05460	0.4
81.03400	0.3
91.05485	1.2
97.83811	0.2
102.04675	0.9
103.05474	0.3
105.06992	0.6
107.04943	0.3
109.02867	0.3
110.03625	0.6
115.05477	0.2
117.03383	0.2
119.04974	1.2
122.03562	0.2
123.04435	0.4
124.05185	0.3
125.05963	0.3
125.49090	0.2
130.04146	1.2
131.04909	0.7
133.06451	0.4
135.04393	0.8
136.05183	1.1
137.06001	1.8
145.02779	0.2
146.03642	2.2
147.04436	2.7
148.05205	3.5
151.07529	0.3
151.37401	0.2
153.01820	3.4
161.05972	2.8
162.06773	1.1
163.03954	0.9
163.07619	0.3
167.07111	0.4
177.05414	0.2
179.06958	0.2
180.07796	0.3
187.03876	0.2
201.05423	0.2
203.03371	2.3
213.05493	0.4
229.04959	3.7
230.05342	0.2
235.07585	0.3
239.03395	0.4
241.05013	0.6
242.05754	9.2
243.06186	0.3
253.04980	2.6
254.05522	0.3
255.06464	0.4
257.04446	47.0
258.05161	14.1
258.08057	0.4
259.05612	0.7
269.04446	1.4
270.05228	2.1
271.05908	1.0
283.06046	0.6
285.03949	7.3
286.04709	29.8
287.05453	14.6
288.05814	0.8
295.06082	0.5
297.03946	4.9
298.04358	0.4
299.05496	1.6
300.06168	0.5
323.05383	0.4
327.04990	1.6
341.06430	1.5
354.31635	0.2
359.09201	0.4
361.06775	0.3
373.07056	0.6
375.08771	0.4
387.08630	0.5
389.06430	0.3
391.08145	0.5
403.08109	1.2
404.09100	0.3
415.07980	0.9
421.09473	0.3
432.08469	3.1
433.08881	0.2
435.10767	5.0
436.10977	0.5
447.10742	22.2
448.11063	2.2
454.78543	0.2
465.11798	100.0
466.12180	10.5
627.17065	2.1
628.17639	0.4
669.17523	0.3
695.15723	0.2
712.41425	0.4
713.16882	4.5
713.36340	0.3
714.17572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92522	0.5
70.92868	0.7
79.05502	0.6
81.07050	0.7
91.05509	0.7
93.07006	0.5
96.41651	0.4
105.07093	0.6
109.06483	0.5
121.10245	0.4
123.06512	0.3
124.73741	0.3
133.58109	0.4
137.06017	1.6
162.33765	0.4
185.04294	0.6
203.05234	2.1
259.07846	1.9
283.92035	0.4
331.10205	0.5
347.09726	1.4
355.58447	0.4
365.10568	2.7
389.22968	3.0
421.13245	1.9
493.15363	0.6
551.28241	20.5
552.28613	2.1
713.33496	100.0
714.33899	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	713.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84340	0.9
53.03947	2.1
55.01878	1.2
55.05519	4.5
57.03442	2.0
57.07077	1.2
65.03942	1.9
67.05511	10.6
69.03432	6.7
69.07063	4.7
70.06595	3.9
71.05042	2.0
71.05453	1.0
72.08160	3.0
73.02869	1.0
78.10722	1.1
79.05495	9.2
80.31853	1.2
81.03420	2.3
81.07056	18.3
83.04976	1.8
83.08653	1.4
84.08136	1.8
85.02910	5.3
86.09690	5.8
89.55469	0.9
91.05479	15.4
93.07049	21.6
95.01313	7.8
95.04971	10.8
95.08610	23.9
96.08978	1.6
97.02873	1.1
97.06532	3.4
97.10135	1.0
97.79499	1.0
99.04435	1.7
103.05473	3.2
105.07030	29.1
105.97988	1.1
106.07344	1.6
107.04958	1.3
107.08591	19.5
109.06525	3.7
109.10157	10.5
111.08099	1.9
117.07043	6.8
119.04967	2.0
119.08580	30.2
121.06506	5.1
121.10149	13.9
123.04374	1.2
123.08064	4.6
123.11688	2.0
125.05985	1.4
128.06232	3.1
129.06993	6.9
130.07806	2.1
131.04950	2.2
131.08562	23.7
133.06519	1.4
133.10129	20.4
133.11058	1.8
135.08041	5.8
135.11710	6.6
137.05978	6.7
137.09674	1.9
141.01822	9.0
141.06993	2.1
142.07768	4.9
143.08572	17.7
143.11763	1.1
144.09303	1.5
145.02907	1.6
145.06520	2.9
145.10127	39.5
146.10518	2.1
147.04407	1.8
147.08073	4.8
147.11691	11.8
149.05983	4.9
149.09619	3.2
149.13255	3.1
151.07587	1.6
155.08580	6.8
156.09366	4.0
157.10132	24.3
158.10814	1.0
159.08081	4.1
159.11697	24.9
159.71402	1.2
161.06059	2.5
161.09645	6.9
161.13266	9.6
163.07472	1.7
163.11179	2.0
163.14830	2.1
165.05457	1.5
167.07086	8.6
167.08466	1.8
169.10130	11.9
170.10901	4.3
171.11685	16.8
173.09630	3.5
173.13281	19.9
175.07573	1.2
175.11240	3.0
175.14784	6.0
177.05453	6.8
177.12753	2.5
179.07079	1.4
179.08568	1.4
179.14336	1.5
181.04977	2.6
181.10106	3.6
182.10902	2.4
183.11703	10.7
185.09641	1.9
185.13245	30.2
187.11258	4.4
187.14824	18.8
188.15179	1.3
189.09158	3.7
189.12785	5.7
189.16446	3.4
191.14317	3.6
195.11693	3.7
196.12527	1.7
197.13226	10.7
198.13777	1.2
199.11195	2.0
199.14819	18.2
201.05463	1.8
201.12737	9.2
201.16446	4.5
203.14320	23.0
205.10176	1.1
205.12303	1.6
205.15829	3.7
207.11804	1.9
209.13316	3.6
211.14833	8.6
213.12804	4.5
213.16388	5.2
215.14348	8.7
215.18018	2.0
217.08611	2.0
217.15855	10.0
219.13762	13.0
221.13371	2.2
221.15451	2.7
223.14809	2.9
225.16420	4.5
227.14407	3.1
227.18170	1.1
229.12257	1.1
229.15865	7.2
230.16377	1.2
231.13855	4.4
231.17516	2.5
233.15460	4.5
235.14920	1.8
237.16449	3.4
239.18025	2.3
243.17482	2.0
245.15430	2.3
247.17119	2.2
249.14888	2.8
251.17998	3.1
251.73256	1.0
265.19537	1.4
267.17374	1.1
269.18945	1.7
277.08398	1.4
277.19333	1.1
286.09787	1.1
301.07166	1.9
323.09137	2.1
345.13022	2.2
355.11597	7.1
371.14972	8.7
383.27313	1.1
389.28418	2.3
391.30319	1.4
401.28357	4.5
403.29779	2.3
407.29147	1.6
419.29526	5.7
421.31314	2.2
435.28943	4.6
437.30472	5.5
439.32300	1.6
447.28964	5.7
453.30121	2.4
455.31598	2.6
465.30002	10.6
466.30103	1.6
471.31070	100.0
472.31458	12.0
474.11981	1.6
479.60620	1.1
483.30957	16.0
484.31168	1.8
501.32108	74.8
502.32504	8.4
512.33807	2.3
519.33173	34.9
520.33472	4.0
533.20374	1.6
659.34253	2.4
713.23798	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30597	0.8
53.03953	2.1
55.01866	3.0
55.05516	5.2
61.02940	1.0
64.11446	0.9
65.03952	2.4
67.05505	10.3
69.03440	5.2
69.07060	5.4
70.06609	4.6
72.08162	1.9
77.28518	0.9
79.05505	10.5
81.03417	2.9
81.07062	18.4
82.11172	0.9
83.04959	1.7
83.08627	2.4
84.08143	0.9
85.02907	5.6
86.09702	8.3
91.05483	14.6
91.13087	0.9
92.05849	1.1
93.07054	19.8
95.01329	9.1
95.04971	10.6
95.08033	1.8
95.08612	20.5
96.08952	1.0
97.02886	2.0
97.06532	4.0
99.04460	1.5
103.05471	2.2
105.07045	26.9
106.07396	1.2
107.04951	3.3
107.08600	21.7
108.08910	0.9
109.06521	4.0
109.10160	11.9
111.04405	0.8
111.08094	3.3
113.02414	1.3
115.05512	1.1
117.07021	6.8
119.04885	1.1
119.08582	29.6
119.89130	0.9
120.08913	1.6
121.06505	3.2
121.10139	14.4
123.08086	5.1
123.11681	2.6
125.09668	1.3
128.06248	3.5
129.06999	7.2
130.07790	1.7
131.04919	2.1
131.08566	28.0
133.02792	1.2
133.06512	2.4
133.10133	17.8
135.04474	1.2
135.08040	5.5
135.11696	6.7
137.05956	5.3
137.09648	1.2
141.01805	8.1
141.06932	1.3
142.07788	5.4
143.08554	19.9
143.11719	1.3
144.09416	1.9
145.02855	1.4
145.06509	1.8
145.10133	41.8
147.04431	2.8
147.08046	6.0
147.11693	13.6
149.06026	3.6
149.09637	5.0
149.13269	3.8
151.03911	1.0
151.07536	1.6
151.11176	1.3
153.09090	1.2
154.07774	1.8
155.08517	7.6
156.09340	3.8
157.06444	2.3
157.10132	20.6
158.10582	2.0
159.02924	1.0
159.08003	4.3
159.11700	26.0
161.05997	3.1
161.09631	9.1
161.13272	10.0
163.03860	1.4
163.07605	1.6
163.11241	1.8
163.14865	1.6
165.09126	1.3
165.12630	1.0
167.07056	7.8
167.08553	2.6
168.09337	2.0
169.10130	10.6
170.10928	3.0
171.11693	17.7
173.09647	3.4
173.13278	18.6
175.07486	1.2
175.11165	5.1
175.14842	8.2
177.05481	4.9
177.06836	0.9
177.12744	3.1
179.07001	1.1
179.08551	1.4
181.04948	3.4
181.10126	4.2
182.10950	1.8
183.11693	9.8
185.09691	2.2
185.13263	33.0
186.13689	1.4
187.11215	4.1
187.14819	18.6
188.15219	1.8
189.09148	2.1
189.12758	7.2
189.16437	2.2
191.14339	3.1
193.10185	1.2
193.15910	1.2
195.11769	4.9
197.09685	1.0
197.13251	10.6
199.14850	15.1
201.12767	8.8
201.16415	6.8
203.14319	20.1
203.17253	0.9
204.14711	1.5
205.12274	2.8
205.15887	3.1
207.06445	1.1
207.13698	1.2
209.08015	1.3
209.13310	5.1
211.14789	7.8
213.12764	2.6
213.16393	4.2
215.14359	8.1
215.18005	1.9
217.15881	9.7
219.13811	14.2
219.17369	1.1
221.13361	2.0
221.15439	4.0
222.13873	1.3
223.14857	3.1
225.16357	4.9
227.14238	2.8
227.17917	1.5
229.15926	7.6
230.16167	1.0
231.13786	3.6
231.17415	2.9
233.13298	1.7
233.15448	4.1
235.14879	1.1
235.17033	1.3
237.16431	2.6
239.17996	1.5
241.15884	1.9
242.27562	1.0
243.17525	1.6
245.15428	2.8
247.17000	1.4
249.14726	2.6
251.18060	1.4
253.19630	1.4
257.15637	1.7
257.18930	1.5
265.19400	1.2
269.19009	1.9
279.20828	1.1
295.20419	1.0
297.22165	1.2
301.07220	1.5
303.04596	1.2
323.09302	1.4
345.12903	3.0
355.11765	4.6
371.14941	8.9
389.28497	2.5
390.93799	0.9
391.30112	1.1
391.83810	1.1
401.28223	2.5
403.29959	1.6
407.29501	2.2
419.29599	6.7
421.31094	1.4
429.28049	1.8
435.28867	3.3
437.30420	5.6
439.32010	1.6
447.28894	4.7
448.29041	1.4
453.29810	3.2
455.31418	2.4
465.30106	11.6
471.31076	100.0
472.31409	13.1
474.11792	1.2
483.31036	14.4
484.31607	1.8
501.32111	74.1
502.32471	10.0
512.33667	1.7
514.26428	1.0
519.33185	36.8
520.33435	4.6
533.20251	1.1
580.34650	1.7
659.34381	2.6
713.25311	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	714.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01852	0.9
55.66950	0.7
57.03442	1.1
61.02927	1.6
65.03927	0.7
67.05500	1.6
69.03428	6.1
69.07057	0.8
70.06606	1.3
79.05505	1.5
81.03426	2.7
81.07066	1.9
85.02904	6.2
86.09724	1.1
91.05502	2.1
93.05823	0.9
93.07046	3.0
94.06589	3.0
95.05001	1.4
95.07404	1.6
95.08628	2.5
96.08128	3.4
97.02896	3.1
98.23363	1.3
99.04453	1.1
103.05501	1.2
105.07046	1.7
107.07338	2.1
107.08592	1.2
108.04533	0.7
108.08112	7.8
109.02883	1.5
109.10173	1.1
110.09682	7.8
118.06501	0.9
119.08598	1.4
120.04501	3.0
120.08099	9.6
121.06503	0.9
121.10130	0.9
122.06037	9.0
122.09660	4.5
124.07613	0.9
127.03905	1.5
131.04930	1.0
131.08614	1.6
133.10139	1.1
136.07588	12.7
137.06018	2.1
137.08301	0.7
138.05496	1.4
138.09142	11.7
138.10173	1.0
143.08556	0.7
145.10112	1.4
146.06036	1.8
148.07587	6.2
150.09134	9.2
152.07080	2.3
159.11714	1.6
161.06021	0.8
161.13272	0.7
162.09128	0.9
164.07121	2.4
166.08644	25.2
167.07036	1.7
167.09064	1.3
168.10205	0.9
172.03932	1.6
175.14880	0.7
176.10713	0.7
180.10263	1.1
181.04895	0.9
182.11882	0.8
185.13358	0.7
187.14838	1.9
190.05040	2.0
194.08229	2.2
196.09883	0.7
197.10785	1.3
201.16515	0.9
203.14348	2.0
204.06685	0.8
206.19739	0.7
208.09990	0.8
209.10802	1.2
211.08707	0.8
211.12350	1.1
212.09477	2.3
213.10344	1.4
221.10757	0.9
222.07985	0.8
223.08676	1.6
223.12399	2.6
224.09489	1.9
224.12985	0.9
225.10226	5.8
226.10913	1.6
227.11838	2.6
233.10823	2.1
235.08768	3.1
236.09511	2.5
237.10217	15.7
238.11014	3.6
239.08258	1.6
239.11816	6.1
240.12416	1.1
241.09920	1.0
248.09476	3.6
249.10243	11.7
250.11057	3.8
251.08189	4.4
251.11798	12.7
252.08992	1.3
252.12505	3.1
253.09753	8.0
254.10391	1.1
255.11288	4.9
261.10294	6.8
262.10977	2.5
263.08951	1.3
263.11771	9.9
264.09052	1.6
265.09747	17.7
265.13092	1.3
266.10464	3.0
267.11301	10.4
268.11951	1.2
269.09232	1.0
269.12833	1.4
271.10684	3.5
273.12509	1.4
276.08847	1.1
277.09714	5.2
278.06815	1.1
278.10568	6.7
279.07794	4.1
279.11227	24.4
280.08572	1.0
280.12021	5.0
281.09528	4.7
281.12561	4.6
282.09952	2.1
282.12875	0.9
283.10846	8.9
283.13986	1.3
284.11526	1.6
285.12415	1.6
287.13916	2.3
289.09674	16.0
289.12646	1.0
290.10287	2.7
291.11246	7.1
292.08615	0.9
292.11911	1.6
293.09305	7.8
293.12918	6.4
294.09985	6.3
294.13342	1.3
295.10864	6.4
295.14035	1.3
296.11566	5.1
297.12299	3.8
298.12866	1.3
299.10413	2.4
305.09317	0.8
306.09958	2.0
307.10776	6.3
308.11566	2.1
309.08878	1.2
309.12250	6.6
310.13113	2.0
311.10349	8.0
311.13983	3.7
312.11060	4.7
313.11810	5.4
314.12631	1.2
317.09314	2.1
319.10703	0.9
321.08795	1.0
321.12466	1.8
323.10229	2.2
323.14029	3.8
324.10965	3.9
325.11832	6.2
326.12720	4.8
326.16345	1.1
327.13354	9.2
328.14166	1.0
335.10272	27.3
336.10867	2.5
337.11688	3.9
339.09796	2.6
339.13391	62.4
340.10336	5.2
340.13986	5.2
341.11374	8.2
341.15115	2.4
342.11807	0.8
342.16483	1.2
349.11533	1.0
352.10593	2.7
353.11288	18.9
353.15411	1.2
354.12027	7.0
354.15979	1.2
355.12891	18.5
355.17020	1.3
356.13446	2.8
367.12885	48.3
368.13293	4.7
370.15405	1.4
384.17163	0.8
399.15817	1.0
400.16690	1.2
402.17996	1.1
418.17947	0.8
432.19299	2.7
442.17953	1.2
444.19464	1.4
455.31683	4.1
460.18719	6.7
461.19199	1.3
470.17236	1.3
472.18936	1.4
474.20258	1.8
478.19827	2.3
479.20300	0.9
485.32550	3.5
488.18140	37.1
489.18539	5.2
490.19800	1.1
492.21402	2.5
502.19461	1.3
503.33810	2.8
506.11630	1.2
506.19193	26.1
507.19443	3.3
520.20776	29.6
521.21423	4.5
534.18640	2.5
548.19946	1.0
552.24084	1.0
574.02155	0.7
622.23914	2.5
632.22546	1.4
650.23431	17.1
651.23865	3.4
654.26593	2.4
664.25671	1.3
682.26038	100.0
683.26398	19.2
714.28326	1.4
715.26001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73174	4.6
53.03949	18.4
53.40648	5.3
55.01862	10.8
55.05519	31.8
57.03434	8.5
60.39326	5.3
64.46824	4.2
65.03932	5.2
66.41934	4.2
67.05237	4.5
67.05516	59.4
68.81719	4.5
69.03432	23.3
69.07071	27.0
69.83495	3.7
69.85980	15.9
71.04992	12.1
79.05495	43.9
81.03418	50.4
81.07063	98.5
83.04987	11.1
83.08614	13.9
85.02924	22.7
85.06575	4.5
91.05487	72.5
91.06020	7.6
93.07050	56.2
95.04973	13.3
95.08619	37.3
97.02893	28.9
97.06554	11.9
97.10205	9.7
98.23246	7.3
99.04453	9.1
105.07045	50.0
107.04957	19.2
107.08591	48.3
109.02901	29.7
109.06536	14.3
109.10149	20.2
111.04424	14.0
111.08094	9.1
115.05444	6.2
117.07036	28.1
119.04957	33.5
119.08579	35.1
121.06516	14.8
121.10155	29.1
123.04398	4.6
123.08079	10.9
123.11752	8.6
125.09642	12.4
127.03916	39.8
129.07039	11.1
131.04939	9.8
131.08571	33.5
133.06476	13.1
133.10123	34.4
135.08052	14.4
135.11684	11.4
137.05000	4.7
137.05928	22.5
138.06345	4.7
138.09235	4.9
141.06944	7.3
143.08583	16.3
145.04977	4.7
145.06479	6.8
145.10101	17.8
147.04411	28.2
147.08099	9.4
147.11708	20.3
149.06004	6.4
149.09634	15.0
149.13258	21.0
151.11125	4.6
155.08562	6.7
157.06496	6.1
157.10124	15.3
159.11700	25.0
161.05975	7.0
161.09619	6.0
161.13303	6.9
163.11230	12.1
165.12856	7.1
167.07053	13.4
169.87674	4.8
171.08060	6.6
171.11766	7.9
173.06059	6.2
173.09653	4.7
173.13278	9.9
175.03893	41.2
175.07552	5.2
177.12770	6.1
181.05020	6.2
183.11604	6.1
187.11208	5.8
187.14864	5.5
189.11182	4.8
192.04297	11.4
195.12190	4.8
195.13770	28.6
207.06523	100.0
213.14870	13.7
219.13835	6.9
225.07573	21.3
239.18004	9.5
249.14870	11.0
257.04459	7.4
257.18988	13.1
275.20090	95.7
276.20309	9.0
279.15942	8.4
285.14697	6.7
286.05182	5.4
287.05411	10.1
293.21146	20.1
303.15903	20.2
321.16907	23.5
339.18033	77.9
383.22113	12.9
401.23141	10.2
419.24231	22.6
437.25439	15.9
466.12140	5.5
616.41919	6.2
714.35834	8.3
715.26050	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	714.551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85550	0.7
53.03935	1.3
55.05304	0.7
55.05517	7.2
55.52235	0.7
56.05046	3.9
57.07072	3.3
58.06603	0.7
60.04527	2.8
67.05507	12.3
68.05024	0.9
69.03444	1.2
69.07078	8.0
70.06581	2.3
71.08629	1.4
79.05493	11.2
80.05002	2.6
81.05788	2.4
81.07066	11.8
82.06580	6.4
83.08610	4.8
85.02904	2.0
85.10165	1.0
87.04389	0.8
91.05484	8.5
93.05747	0.9
93.07046	10.8
94.06573	19.5
95.04986	1.1
95.07354	9.0
95.08616	8.9
96.08147	6.7
97.02890	0.8
97.10183	3.7
98.23447	1.6
99.87320	0.7
105.07039	7.5
107.08606	4.4
108.08127	3.1
108.08850	0.7
109.10143	4.0
111.11726	1.1
119.08581	4.9
121.10142	5.6
122.09652	2.9
123.11703	1.3
127.03844	0.9
133.10133	4.4
135.10529	0.9
135.11684	4.0
136.11244	0.8
147.11682	1.8
149.13248	1.2
161.13141	1.0
178.76801	0.8
186.15802	0.8
220.82391	0.8
228.85960	0.8
233.22606	2.9
245.22644	5.0
250.25305	7.8
251.25620	0.8
254.24669	1.2
260.23688	0.8
262.25311	100.0
263.25705	6.6
272.25778	4.8
273.26093	1.0
280.26422	6.6
281.26376	1.0
364.73425	0.8
504.47626	3.4
516.47784	21.4
517.47986	3.3
518.49292	4.3
534.48804	11.7
535.49011	1.5
696.53687	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	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94838	0.6
53.03940	1.4
55.05516	4.8
56.05045	3.0
56.90480	0.7
57.07088	3.2
58.06585	0.9
60.04514	2.6
65.03931	0.7
67.04238	0.6
67.05509	12.3
68.05032	1.2
69.03421	0.9
69.07066	7.0
70.06572	1.8
71.08624	1.8
77.87038	0.6
79.05494	10.8
80.05010	3.0
81.05796	2.1
81.07064	9.5
82.06579	7.2
83.08622	5.0
84.08166	1.0
85.02894	1.4
91.05486	7.8
93.05783	0.6
93.07056	9.1
94.06571	16.7
94.46796	0.6
95.04982	1.3
95.06820	0.9
95.07357	8.8
95.08612	8.6
96.08137	4.7
97.02899	0.8
97.10167	2.4
98.06062	0.6
98.23357	1.6
105.04507	0.7
105.07027	5.3
107.08601	4.9
108.08105	2.5
109.10149	2.6
111.11711	0.9
119.08594	5.1
121.10163	5.2
122.09665	2.8
123.11699	1.2
133.10152	3.3
135.11713	3.2
147.11708	1.3
161.13199	1.3
163.14746	0.8
215.36974	0.6
219.21056	0.8
225.08095	0.6
233.22699	3.1
242.22903	0.6
245.22661	4.7
246.75554	0.6
250.25328	7.4
254.24741	0.6
256.38785	0.6
262.25308	100.0
263.25720	8.4
268.91690	0.6
272.25842	5.8
280.26349	6.4
281.26880	0.8
504.47757	4.6
516.47784	25.0
517.48315	4.3
518.49493	5.0
519.49261	0.9
534.48822	14.6
535.49005	2.4
696.54089	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	715.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34485	0.5
52.39324	0.4
60.41948	0.4
63.99304	0.4
70.06578	0.4
100.25221	0.4
129.25409	0.4
185.04210	2.4
195.61314	0.4
206.05539	4.0
207.06284	6.3
369.11569	100.0
370.11905	6.0
406.69745	0.4
459.52255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2754
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
51.02379	0.4
53.03934	0.5
55.01853	0.8
65.03931	0.5
66.04715	0.8
67.05497	0.4
77.05544	0.4
79.05494	1.2
81.03422	4.6
81.07051	0.9
83.04980	0.6
83.08636	0.4
91.05478	2.0
94.04198	3.8
95.04947	0.8
95.08580	0.4
98.22585	0.7
103.05467	2.0
105.07018	0.6
109.06519	1.0
111.04416	0.5
115.05463	4.8
117.07012	2.4
119.04966	0.4
121.06516	0.7
122.03651	7.4
125.06023	0.4
128.06230	2.3
129.07008	6.5
131.04948	3.1
131.08572	0.7
137.05983	100.0
138.06308	3.5
143.04939	3.4
144.05701	1.8
145.06517	2.3
146.03548	0.4
147.08043	0.5
151.03915	3.5
151.04987	0.7
151.07581	1.9
153.05421	0.5
155.06111	0.5
157.06506	5.2
158.07210	0.7
159.08046	0.5
160.05219	5.9
161.05939	1.5
163.07553	1.4
169.06508	0.5
172.05235	1.7
173.05992	1.3
174.06796	3.0
175.07555	37.3
176.07956	1.9
177.05511	1.0
177.09123	1.6
181.06531	0.8
181.35738	0.5
185.04308	0.3
185.06033	1.0
187.07556	16.8
188.08113	0.9
189.09114	7.3
195.08130	0.5
198.06837	0.6
199.07547	1.2
201.03687	0.6
201.09169	1.1
203.05321	0.6
203.06978	0.6
205.08592	7.4
206.08960	0.5
207.08051	0.5
210.06805	0.4
211.07556	0.9
217.08585	4.2
219.08067	0.6
219.10168	0.9
226.06288	1.3
227.07085	1.7
234.06844	0.7
235.09605	3.1
241.08664	3.4
246.06706	0.7
247.07590	0.6
248.08380	0.6
249.09018	1.2
250.09955	0.5
255.06519	0.9
257.08173	0.9
259.07693	1.1
259.09964	0.7
261.09229	1.1
263.07092	1.1
263.10815	0.6
265.08673	0.9
266.09036	0.4
269.08011	3.6
270.08878	2.8
271.09799	0.8
273.07541	0.8
275.07336	0.8
276.07730	0.4
277.08707	1.8
278.09277	0.6
279.10355	0.6
283.09659	0.5
289.08725	0.8
290.09406	0.5
291.10229	1.7
295.09814	1.1
297.11362	1.4
301.09061	0.5
303.10284	0.7
306.08926	0.6
307.09763	1.3
308.10535	0.7
309.11398	2.3
310.11832	1.1
315.10205	0.5
317.08279	0.5
319.09738	0.6
320.10284	0.5
321.11374	2.5
322.12033	1.1
323.13065	0.8
329.07910	0.5
331.09824	1.0
339.12738	0.8
345.11630	0.5
347.09607	1.2
347.13171	0.6
357.11371	0.5
359.13040	0.7
365.10800	1.5
367.09778	0.5
369.11349	0.7
370.11829	0.5
373.11087	0.5
381.11252	1.0
382.12216	0.6
388.10101	0.4
391.24814	0.7
392.12741	0.6
393.13235	0.8
403.11801	1.0
405.13245	1.3
409.10562	0.6
413.14218	0.8
420.12772	0.5
421.13742	0.4
423.12387	0.6
429.12656	0.5
431.14444	0.8
433.16229	0.6
433.51764	0.5
440.13058	0.4
442.14255	2.0
443.15137	2.0
444.15695	0.6
445.16464	1.4
455.14966	0.7
457.16602	1.3
461.15982	1.2
463.17020	0.9
473.15750	0.9
479.16940	1.4
481.16565	0.5
483.18362	0.7
491.17331	1.3
493.15619	1.1
495.18143	1.5
507.17545	1.1
513.18915	1.9
525.19482	1.4
538.16248	4.4
539.16638	0.9
543.20441	1.6
553.29742	4.2
554.29828	0.9
555.20331	1.1
573.21198	0.8
578.19696	1.2
579.20233	0.6
590.19574	1.4
591.19574	0.7
596.20142	0.6
599.21002	0.5
608.20514	4.2
609.21393	1.3
626.21381	6.5
627.22058	1.3
631.23279	0.7
649.24579	1.5
661.24139	1.9
667.24756	0.9
679.25659	2.3
680.26001	0.7
685.26910	1.1
697.26459	1.5
715.35303	32.6
716.36151	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	715.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	1.3
69.53568	0.7
69.75047	2.4
79.05499	1.0
80.86613	0.6
81.07070	0.8
91.05470	0.9
93.07053	1.0
94.06567	0.8
98.22720	1.2
124.12701	0.6
133.10158	0.8
144.08147	0.8
209.10782	1.4
223.12323	1.2
225.14148	0.8
235.12337	1.3
236.16673	0.8
237.10385	1.2
239.11769	0.8
247.12315	1.0
249.10223	0.8
251.11850	1.5
253.13538	1.7
275.11862	0.9
276.11578	0.9
279.11469	0.8
290.13123	1.1
302.12762	0.9
303.14810	1.2
304.14777	1.4
322.15396	0.7
379.19504	0.9
383.60968	0.7
392.16415	0.7
393.16858	1.0
393.21375	1.1
395.18936	1.2
405.17209	1.1
407.18411	1.2
409.20389	3.2
410.20663	0.9
421.20490	1.9
422.21033	0.9
423.22290	1.1
433.20535	1.3
434.17072	0.9
435.17651	0.9
437.20016	3.9
438.20715	0.9
447.17929	1.5
449.19864	2.7
450.20520	1.3
451.21426	2.2
452.22311	1.2
460.19370	0.8
461.20026	2.5
463.17099	1.0
463.22025	1.0
477.19531	2.5
481.22510	0.8
482.23260	0.8
489.19281	2.1
490.19818	1.5
491.20950	1.2
493.22470	1.3
503.21350	0.9
504.20932	0.7
505.22351	1.4
506.19461	1.3
509.26224	1.6
517.22632	1.1
519.20502	0.8
521.22302	1.8
523.27411	0.8
525.25110	1.9
535.23358	1.5
536.22357	0.8
537.25323	3.9
538.25507	1.3
539.26117	0.7
547.23932	0.9
549.21368	1.5
553.24561	1.9
563.22968	1.9
564.23322	1.0
565.24799	4.4
567.26068	1.4
568.26428	1.2
577.22198	1.0
581.24072	2.1
591.22400	1.6
593.23785	2.9
595.25665	1.4
597.27136	2.6
599.28925	0.8
607.25269	0.9
609.23853	1.5
623.24774	2.1
625.26471	1.5
633.23730	0.9
641.25854	1.2
651.24805	2.7
655.27856	2.2
665.25964	2.2
669.24829	1.5
683.27094	50.8
684.27521	8.8
687.30225	2.4
715.29736	100.0
715.40839	4.9
716.30170	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	715.2969
Annotation	Neobeguin
Peak:m/z	Relative Intensity
55.05495	0.6
66.91074	0.7
67.05512	1.4
69.07086	1.2
69.75826	1.6
69.76240	1.5
77.73491	0.6
79.05470	1.0
81.07059	1.6
86.14056	0.6
91.05495	1.5
93.07059	1.6
94.06603	0.7
95.08596	1.5
98.13604	0.6
105.07040	1.0
107.08592	0.8
111.52434	0.6
119.08588	0.8
120.08106	0.9
133.10226	0.8
172.07539	0.7
211.12361	0.8
220.06592	0.6
221.10745	1.0
222.11421	0.7
223.12489	0.7
224.12976	0.9
225.10257	1.3
225.24037	0.7
237.14018	0.8
239.11897	1.7
248.70035	0.7
249.10294	1.1
251.11954	1.3
252.12579	0.8
253.13400	1.4
261.10284	1.0
263.11856	1.3
265.13345	1.1
275.11929	0.7
277.13245	0.6
304.14771	1.0
306.13684	0.7
318.12891	0.7
342.16159	0.8
365.18658	0.7
367.95486	0.7
379.19656	0.9
393.21057	0.7
395.18753	0.7
407.18655	1.5
409.20377	3.5
419.19034	1.0
421.20572	1.1
423.21881	2.3
424.22513	1.4
433.20270	2.1
435.22470	1.5
437.19583	3.9
438.20520	0.8
449.19724	2.4
451.21518	3.0
452.21964	1.9
458.21008	0.9
461.20032	0.8
467.21628	0.9
477.18616	3.8
478.20193	2.1
479.20941	1.3
489.19064	1.1
493.22919	1.0
494.19626	1.1
503.20844	0.9
505.22617	1.1
506.19653	1.7
507.21024	0.9
508.25003	1.0
509.25961	1.8
511.23254	1.0
520.21814	0.9
521.22150	2.3
525.24854	2.1
533.21326	0.9
535.23242	2.2
536.24042	1.3
537.25360	4.2
538.24902	0.7
539.22974	0.7
539.27167	0.8
553.24780	1.2
563.22748	2.4
564.23743	1.3
565.24628	4.6
566.25037	1.1
581.24408	1.5
591.22577	1.4
593.24255	2.9
594.24811	0.9
595.25836	2.0
597.26990	2.3
600.29596	1.2
605.24365	0.9
609.23767	0.9
623.25195	2.3
624.25427	1.0
625.26691	2.0
633.22974	0.9
641.26208	0.8
651.24628	2.8
655.27606	3.2
665.25598	2.7
669.25653	1.2
683.27130	52.6
684.27313	9.7
687.30267	3.0
715.29749	100.0
715.41003	6.7
716.30060	19.4
716.41730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
67.05512	2.3
71.30398	1.7
79.05508	1.7
81.07049	2.6
85.15386	1.4
91.05452	2.4
94.06575	5.7
95.08629	3.2
97.20394	1.3
113.05992	2.1
118.06537	1.6
120.08080	1.9
125.09502	1.3
133.10155	1.6
163.92873	1.3
197.10780	2.9
206.08473	1.7
207.09268	2.2
221.10840	3.7
225.10277	2.4
233.10741	3.2
235.08734	2.4
243.76527	1.6
249.10332	5.4
251.11732	2.2
263.26852	1.8
277.09753	4.1
305.08667	1.6
324.11435	2.0
339.13666	1.7
390.68903	1.8
413.13983	2.2
414.14395	2.1
415.39645	1.6
417.16513	1.8
427.15472	3.0
428.16354	2.0
429.17178	2.1
440.16220	1.8
453.17273	1.7
455.14862	2.7
456.15552	2.3
457.20749	2.2
469.16113	1.7
471.18307	3.0
484.14688	2.3
485.19632	5.5
486.20239	1.9
489.18936	2.8
498.16464	2.0
499.17645	4.6
513.19659	9.3
515.17822	1.8
517.18890	3.4
525.19141	2.6
529.18793	1.9
531.20428	9.0
541.18762	14.5
542.18835	4.8
543.20422	2.0
553.33698	3.4
557.21924	14.4
558.21558	2.2
559.19653	4.5
569.18427	3.9
573.21417	5.1
591.21960	2.1
601.20801	100.0
602.21326	18.7
619.22089	2.3
623.25049	2.7
625.23334	2.0
633.23395	51.5
633.33752	2.9
634.23633	9.0
651.24451	33.3
652.24353	5.4
683.26086	3.4
714.47339	3.7
715.37952	22.9
716.38892	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	715.3303
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
55.69094	0.3
56.96569	0.4
60.16541	0.3
61.32319	0.3
67.98808	0.3
69.99142	1.0
81.07036	0.4
98.97606	0.9
110.01212	0.3
115.71499	0.3
116.98618	0.4
117.03666	0.3
130.77466	0.3
149.01250	0.4
177.00742	0.4
189.00809	0.5
192.42113	0.4
207.51933	0.3
213.57016	0.3
279.03976	0.5
293.05359	0.4
321.04984	0.8
455.10687	0.8
574.65106	0.4
643.63733	0.3
652.05298	0.4
715.32996	100.0
716.33307	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	715.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06673	0.4
72.08449	0.4
90.24641	0.4
90.31003	0.4
91.05448	0.5
95.08613	0.5
98.22612	1.7
137.06015	1.1
151.52225	0.4
156.76846	0.5
169.54391	0.4
185.04199	0.6
203.05350	1.3
229.42374	0.6
259.07953	2.2
347.09628	1.0
365.10510	2.6
387.80457	0.4
391.24649	1.6
421.13284	0.8
530.34888	0.4
553.29785	18.0
554.30164	2.5
715.35065	100.0
716.35260	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	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08028	0.2
55.21877	0.2
58.41242	0.2
67.05515	0.2
81.01096	0.2
85.02902	0.2
91.05510	0.2
93.07067	0.3
95.08644	0.3
100.09277	0.2
105.07036	0.2
107.08591	0.2
110.73112	0.2
133.10228	0.3
137.05948	0.2
185.04292	0.5
203.05298	1.9
238.98479	0.2
259.07913	2.1
263.90295	0.2
287.05502	0.3
305.08383	0.2
306.46146	0.2
315.71207	0.2
335.74017	0.2
347.09497	1.6
365.10516	3.6
391.24744	1.0
421.13263	1.4
493.15710	0.2
495.26059	0.6
535.28900	0.2
553.29883	16.9
554.30188	1.9
613.98114	0.2
657.29968	0.3
674.14172	0.2
700.21045	0.2
715.35126	100.0
716.35474	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	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04634	0.3
67.05500	0.7
69.48672	1.1
69.49082	0.7
83.01119	0.7
84.01875	0.4
95.01112	0.4
105.06994	0.6
119.08583	0.4
126.26346	0.4
137.05992	2.0
157.04842	0.5
159.86377	0.4
161.42776	0.3
169.04756	0.5
175.07632	0.5
184.03441	0.4
185.04228	2.3
201.03673	2.2
203.05234	2.3
227.05423	0.4
241.06911	0.4
257.06302	0.7
259.07962	2.2
275.07541	0.4
301.09229	0.5
317.08615	0.7
319.10068	1.2
329.08368	0.5
331.09875	2.8
347.09488	4.0
359.13174	0.7
363.09128	1.3
365.10538	4.8
373.15002	0.6
391.24615	0.5
415.19391	0.6
421.13150	2.6
433.45526	0.3
437.12784	1.0
441.21503	0.5
443.18930	0.9
455.22534	0.6
483.21985	1.6
493.15320	5.0
507.16980	1.2
510.03690	0.4
521.18311	0.9
535.20215	1.1
549.21729	0.5
553.29767	13.6
554.29993	1.7
563.23016	0.8
577.24615	1.6
603.26715	0.7
617.27301	0.7
645.27167	1.1
715.35089	100.0
716.35437	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	715.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13203	0.7
53.85471	0.7
56.68967	0.8
59.77777	0.8
67.05502	0.9
71.30885	1.1
73.30878	0.7
81.07059	1.2
90.28001	0.8
91.05494	1.0
93.06998	1.0
95.08603	1.3
113.06017	1.0
118.07355	0.8
195.18590	0.8
259.07968	1.5
365.10516	3.8
421.12985	0.9
441.01627	0.8
541.66510	1.0
553.33557	16.6
554.33984	2.7
604.87964	0.8
651.24445	0.8
715.38672	100.0
716.39191	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	716.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24118	0.2
51.42128	0.2
53.03934	0.6
55.01860	0.7
57.03436	0.4
57.80242	0.2
59.30934	0.2
61.02918	0.8
63.02336	0.2
65.03936	0.3
67.05496	0.3
69.03428	1.5
70.06579	0.4
70.10508	0.5
73.02927	0.3
78.04708	1.3
79.05491	2.5
81.03411	0.7
81.07069	0.3
85.02417	0.4
85.02905	5.0
86.09694	0.3
91.03945	0.2
91.04957	0.3
91.05485	3.8
92.82405	0.2
93.03374	0.3
93.07059	0.3
95.04973	1.0
97.02888	1.5
99.04488	0.3
99.24061	0.2
103.05459	1.3
105.03385	0.8
105.06370	0.3
105.07034	3.5
106.04133	1.0
107.04962	5.2
109.02880	0.5
115.05470	1.3
117.07024	2.4
118.04160	0.5
119.04949	3.7
121.06487	0.7
122.03683	0.3
123.04435	4.0
123.08092	0.2
124.05235	1.3
125.05980	0.5
127.03912	0.8
128.06165	0.5
129.07018	1.5
130.89098	0.2
131.04926	2.4
132.05684	0.9
133.02881	0.4
133.06496	4.2
134.03569	0.3
135.04417	0.5
136.05202	0.4
137.05957	1.1
140.04660	1.1
143.04913	0.3
145.04985	0.9
145.06479	5.8
146.06831	0.3
147.04413	12.6
148.04951	0.4
149.05972	1.1
151.03893	1.4
151.07555	1.6
152.04684	1.4
152.05844	0.3
153.05486	1.6
155.04945	0.4
155.07028	1.3
156.05586	0.2
157.06506	0.9
158.59128	0.2
159.04378	0.2
160.05183	0.9
161.05981	13.1
162.06474	0.6
163.03912	0.3
163.07558	0.8
165.05453	0.6
165.06915	0.3
167.07037	100.0
168.07390	3.7
173.05981	13.7
174.06371	0.7
175.07555	0.7
176.04663	0.5
177.05545	1.2
178.07837	0.4
179.07050	5.5
179.08543	0.4
180.07562	0.9
181.04930	0.5
181.06441	0.4
181.08559	1.0
182.09395	0.2
185.05986	5.1
186.69397	0.2
187.07552	0.3
189.06970	0.5
190.07764	0.8
191.07031	8.3
191.08566	0.8
192.07710	1.6
193.04951	0.2
193.08597	5.8
193.09917	0.3
194.08876	0.4
195.08073	0.3
202.07755	0.6
203.07031	3.8
203.08614	0.8
205.06520	0.5
205.10165	0.3
206.07240	0.9
207.08014	0.9
208.08794	0.2
209.06116	0.4
209.07985	1.7
215.08620	0.5
217.06491	0.4
218.07208	0.8
219.08084	2.2
220.08788	0.5
221.05988	0.4
221.07971	0.5
221.09779	1.8
223.07556	0.5
223.09636	0.6
224.08308	0.3
225.09209	0.3
229.06403	0.3
231.08025	0.5
232.08627	0.3
233.05992	0.3
233.09619	0.8
234.06703	0.9
235.07571	1.7
236.08224	0.7
237.09081	0.5
239.07109	0.3
239.10623	0.3
241.08400	0.2
243.08209	0.4
245.06049	0.3
246.06816	0.5
247.07559	1.4
248.08272	0.8
249.09122	2.8
250.09833	0.3
251.07097	0.8
251.10793	0.3
252.07738	0.7
253.08421	0.3
259.07611	0.3
260.08157	0.3
261.09036	1.2
263.07077	1.2
263.09689	0.2
264.07825	0.9
265.08566	0.6
266.09369	0.3
267.10138	2.3
269.07953	0.5
271.09818	0.2
275.06979	1.5
276.07709	0.7
277.08548	1.8
278.09460	0.3
279.06680	0.5
279.10126	0.9
280.07199	0.6
281.08423	0.3
281.11728	1.6
286.82037	0.2
289.08499	0.7
292.07138	0.4
293.08157	1.1
293.11218	0.3
294.08777	0.9
295.09650	2.9
296.10236	0.6
297.07510	0.6
303.12262	0.2
307.09671	3.3
308.10025	0.4
309.11261	1.6
311.09311	0.5
312.09927	4.2
313.10495	0.8
321.11185	1.0
325.10760	1.0
326.11328	0.2
327.12262	21.6
328.12491	1.6
330.10901	0.7
339.08151	0.2
339.12277	9.9
340.12451	0.9
345.13309	7.9
346.13678	0.7
357.13330	10.1
358.13708	0.8
375.14374	2.9
375.18649	0.3
376.14951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90259	1.1
55.05520	3.1
57.07080	29.6
58.27666	1.1
63.00576	1.0
67.05514	2.3
69.07063	5.3
69.30553	5.5
71.08635	28.1
73.06567	7.1
81.07066	1.8
83.08631	4.9
83.36736	1.2
85.10189	16.9
87.04456	8.3
89.06035	100.0
91.07574	1.2
95.08626	1.2
97.10166	5.1
98.22583	2.1
99.11735	2.1
107.07076	4.3
111.11724	3.3
117.09147	6.7
125.13242	1.8
130.08635	2.0
131.07083	3.4
133.08614	50.2
141.16382	2.0
161.11667	2.1
175.09702	2.3
177.11223	20.0
177.12642	1.9
197.22664	2.8
221.13875	4.4
239.14949	1.6
241.25264	2.6
285.27872	4.4
287.05475	6.2
288.05887	4.3
329.30472	2.2
522.58215	1.3
536.50061	1.5
575.50793	1.4
699.53015	2.7
700.75446	1.2
716.55054	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	717.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.2
55.01822	0.7
55.05475	0.2
57.03402	0.2
65.03938	0.8
67.01801	0.9
67.05452	0.5
68.99791	1.6
69.03371	0.6
69.03711	0.2
69.07021	0.4
69.11654	1.1
69.12054	0.2
70.06527	0.2
71.01296	0.2
71.04961	0.3
73.02888	0.2
79.05424	0.4
81.03357	0.4
81.07066	0.9
83.01260	0.2
83.04938	0.4
85.02911	1.2
85.06509	0.2
91.05460	0.8
91.95755	0.2
93.07037	0.9
95.04962	1.1
95.08525	0.8
97.02824	0.3
97.06476	0.4
99.08039	0.3
105.06955	0.8
107.08521	0.5
109.06474	0.4
109.10125	0.4
110.10497	0.2
111.00723	0.5
111.04401	0.3
111.07999	0.5
119.04961	1.1
121.02869	15.1
121.03809	1.0
121.06443	0.3
121.10098	0.6
122.03144	0.3
127.03873	0.4
129.01807	0.3
133.06448	0.2
133.10106	0.2
135.07999	0.2
137.05930	0.5
139.07494	0.3
145.02856	1.0
145.04872	0.2
145.10037	0.4
147.04349	0.3
147.11655	0.4
149.13187	0.2
153.01833	15.2
154.02094	0.4
155.04770	0.2
161.05925	0.3
163.03876	0.9
163.11111	0.4
165.12654	0.2
167.07022	0.3
167.14235	0.2
169.12125	0.3
171.02811	1.0
171.04286	0.3
175.11119	0.2
183.04350	0.3
185.05894	0.2
185.15324	0.3
187.03793	0.6
189.05476	0.3
191.10652	0.3
193.12206	0.6
199.03833	0.2
207.13741	0.2
211.03874	0.8
211.13235	0.2
213.05472	1.9
215.03316	0.4
217.12274	0.4
227.03508	0.2
227.16415	0.2
229.04907	0.9
231.04880	0.5
235.13168	0.3
237.05290	0.4
239.03403	2.4
240.03914	0.2
241.05013	0.9
242.05641	0.6
243.02817	0.6
253.04956	0.5
253.14243	0.4
257.04440	1.5
258.05154	0.3
265.01120	0.3
265.04886	0.4
267.02869	2.5
269.00861	0.2
269.04382	0.3
270.05292	1.8
271.05994	3.0
277.05170	0.3
279.02835	0.9
281.04477	1.4
283.05930	0.6
285.03928	3.4
286.04517	0.8
287.01978	0.5
287.05557	0.9
293.00793	0.5
295.05963	0.8
297.04071	1.0
299.05521	0.4
305.04474	0.3
307.02359	0.4
309.04059	0.8
309.08774	0.2
311.01892	1.6
319.05997	0.4
321.03888	0.6
323.05502	2.2
324.05774	0.2
325.03503	0.3
327.05121	1.2
327.09390	0.2
331.09460	0.5
333.07523	0.3
335.01889	2.8
335.05609	0.4
337.07312	0.2
347.05460	0.5
347.09537	0.3
349.03412	0.5
350.04135	0.2
351.04926	1.6
353.02911	1.0
357.07751	0.4
361.07050	0.9
363.04947	0.6
375.04999	0.3
377.02963	1.3
393.06000	2.8
394.06439	0.2
395.03995	0.3
402.07437	0.5
403.08136	11.4
404.08377	0.9
417.05923	0.4
419.03992	7.4
420.04263	0.8
429.06076	2.1
435.07208	1.1
437.04938	1.2
439.15640	0.3
440.16190	0.3
441.17743	0.3
471.07098	1.3
479.08179	0.2
513.08118	1.1
513.14587	0.3
555.09204	100.0
556.09540	12.3
717.46680	9.2
718.46503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50974	1.8
55.01875	2.2
56.96569	7.6
58.95116	1.4
62.16281	1.7
62.49918	1.5
69.03410	1.7
69.50581	3.2
69.50988	6.6
70.06596	2.6
79.05498	6.8
84.76646	1.8
84.96030	1.8
86.09721	2.7
91.05504	4.7
98.97579	31.8
102.11460	1.5
103.05471	7.9
105.07033	52.7
115.05456	9.2
116.98611	11.1
118.04163	4.6
131.04926	4.5
133.06494	50.4
134.99707	2.0
137.06012	3.0
143.06038	4.7
149.05974	2.2
153.05394	2.1
157.01721	3.7
158.99663	4.0
161.05981	100.0
162.06363	6.0
163.07507	2.7
167.07025	11.9
175.02808	8.6
177.00717	3.9
188.03798	2.0
193.03813	3.6
193.08606	32.7
199.02786	3.4
201.00641	11.3
217.03905	10.3
217.05765	1.6
219.01730	18.2
221.01234	2.4
222.02049	6.3
223.02657	2.0
231.04190	23.0
234.02107	3.0
237.02838	5.0
243.01823	21.0
252.03036	13.8
253.03772	1.9
259.05014	1.8
261.02829	7.7
267.05493	4.6
270.04187	5.1
281.03339	6.4
291.05478	4.5
303.04025	6.7
303.82840	1.8
309.06467	4.1
349.09479	2.1
351.07657	4.1
363.06808	85.0
364.07184	4.6
375.07581	14.6
381.07016	6.6
387.99057	1.9
393.08530	4.3
493.14276	5.7
495.11707	2.1
525.12054	23.3
537.12488	4.3
543.68121	1.7
555.13855	18.8
556.14508	2.9
717.19794	93.9
718.20056	13.8
738.71350	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01869	1.1
56.05050	0.7
56.96565	1.9
61.01019	0.5
68.31296	0.5
69.03441	0.8
70.06584	6.0
72.08165	2.6
79.05497	2.1
83.06131	0.6
84.04510	1.0
84.08150	2.5
85.02914	2.0
86.09723	3.0
91.05504	1.9
92.83261	0.5
93.07040	0.8
97.02867	0.7
98.97565	3.9
103.05479	5.2
104.93599	0.5
105.07034	15.6
106.07401	0.8
107.04949	1.2
115.05454	4.3
116.98632	2.0
118.04164	1.0
119.04956	1.3
120.08145	0.9
128.98610	0.7
129.10242	1.8
131.04936	7.5
133.06500	14.3
134.06841	0.9
134.99655	0.9
137.05980	3.9
143.11771	0.6
145.02832	0.7
147.04448	3.8
148.04747	0.8
149.05997	2.0
157.01843	0.7
161.05984	25.3
162.06422	1.0
163.07581	2.4
167.07031	2.9
168.07314	0.5
175.02690	3.7
175.04115	0.8
176.04248	0.6
177.00801	1.0
177.05534	3.7
178.05894	1.8
179.07011	1.1
183.11275	0.7
193.03860	1.2
193.08624	7.7
201.00566	0.7
204.01059	1.6
207.06560	2.8
208.06943	0.9
209.08113	0.8
217.03929	1.3
219.01799	3.2
222.01979	3.1
226.15559	0.6
229.15552	0.8
231.04181	5.8
237.02591	2.8
243.01794	2.0
251.02319	0.6
252.03078	3.5
261.02853	1.0
267.05447	1.2
270.04263	1.9
281.03369	1.5
300.06827	0.9
309.06845	0.6
318.07974	1.6
328.12506	0.6
331.08655	1.0
334.06705	0.7
339.12283	0.9
340.12665	0.9
349.09555	2.8
363.06860	17.8
364.07141	0.9
375.07480	3.1
381.07022	0.7
393.08807	1.6
426.70609	0.6
493.14297	7.4
525.12097	4.6
537.12762	3.7
555.14716	10.4
556.15131	1.6
716.43542	0.9
717.19946	100.0
718.20331	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	717.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.6
67.05515	2.0
68.00788	1.5
69.07072	2.0
79.05489	3.4
81.07037	3.6
93.07039	1.6
95.08582	1.8
107.08599	2.3
109.10156	2.6
110.26895	1.8
114.56588	1.6
119.08597	1.8
121.10149	1.7
129.06866	1.7
185.04356	1.6
221.10672	1.9
223.12109	1.9
229.26923	2.1
235.12248	2.5
237.13960	2.3
249.10272	1.9
276.15030	2.0
304.14365	2.1
314.16299	1.9
316.14471	2.1
328.14548	2.1
337.15472	2.6
338.16376	1.8
365.18277	2.3
367.19370	2.7
379.19473	3.5
380.20132	2.0
391.19308	3.7
393.17026	4.5
393.21280	2.0
394.17615	2.8
395.18704	3.7
400.19986	2.2
405.20850	2.6
407.18179	2.4
408.19485	4.9
409.15115	2.4
409.20236	44.4
410.20847	3.5
421.20181	3.1
423.22006	19.2
424.22525	20.1
433.20123	2.1
435.21475	5.3
436.22708	2.1
437.19110	2.7
437.24081	2.8
439.17108	2.2
443.22437	8.0
444.22812	2.5
451.21396	4.6
453.18765	9.7
454.20139	2.1
461.22662	2.2
463.21304	6.0
464.19064	1.7
465.22766	2.8
467.24677	2.3
468.21048	3.7
469.26059	1.9
474.20456	1.9
479.20383	2.3
481.22046	2.5
491.20581	3.6
493.18719	2.3
495.24503	7.5
496.23987	4.3
503.23862	2.5
507.24353	3.4
509.25415	3.7
510.26306	4.2
511.20776	2.3
511.27209	34.6
512.27338	5.7
521.25287	4.6
522.25720	2.9
523.23981	3.5
524.23456	2.5
525.24762	3.9
536.49408	1.8
538.25574	3.8
539.26141	2.0
540.23737	2.0
541.24255	3.1
549.24475	2.2
551.22882	7.1
553.27850	3.1
555.26202	29.4
556.26318	6.0
565.24084	1.8
567.22101	8.6
568.23114	2.3
580.26172	3.0
581.27917	9.8
582.24390	5.3
583.25061	6.6
593.23639	5.2
595.10809	2.1
598.27960	21.2
599.28046	4.1
611.24774	4.6
620.64081	1.8
625.26550	14.8
626.26971	3.8
642.26440	6.1
643.27283	6.5
653.26147	22.5
654.25983	2.9
657.28558	4.7
667.27325	7.9
685.28668	100.0
686.29211	15.7
699.30316	22.6
700.30640	3.0
717.30792	78.3
717.44336	16.8
718.32013	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	717.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21426	0.5
69.12499	0.4
71.09455	0.7
98.97594	0.5
100.05424	0.4
104.19927	0.4
131.00255	0.4
141.33008	0.4
145.96249	0.4
149.01274	0.5
158.10287	0.4
177.00728	0.6
321.05017	0.5
427.39688	0.5
668.08197	0.5
717.34528	100.0
718.34845	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	717.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01861	1.1
55.05490	1.6
57.03430	1.8
61.02933	5.0
63.40638	1.2
67.05500	5.2
68.79533	1.0
69.03421	3.1
69.07049	2.2
70.82529	2.0
70.82864	1.3
71.12685	1.2
73.02905	4.8
79.05489	6.0
80.82565	1.1
81.07044	4.8
85.02905	4.0
91.03964	2.8
91.05490	3.0
93.07044	4.8
95.08604	4.1
97.02885	3.4
99.04412	1.2
100.02695	1.1
105.06998	1.5
107.08643	2.2
109.10143	2.0
121.10122	1.4
129.50745	1.1
135.11713	3.2
162.59084	1.0
163.47740	1.0
172.86830	1.0
193.12802	1.0
439.19318	3.2
519.29370	8.4
571.41992	1.4
717.41858	100.0
718.42188	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22740	0.2
69.18864	2.1
86.18763	0.3
86.63005	0.2
93.07034	0.2
115.18430	0.3
119.28242	0.3
144.52824	0.3
172.20984	0.3
203.60117	0.3
220.15622	0.3
295.18814	0.3
385.10202	0.3
396.95963	0.3
439.22659	0.3
611.19940	0.3
699.44763	0.4
717.45471	100.0
718.45801	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	718.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21158	1.9
53.03956	2.6
55.01873	30.2
55.05282	2.3
55.05505	11.7
57.03432	6.2
59.05005	2.7
65.03940	3.4
67.05507	24.3
69.03434	8.0
69.07074	14.8
69.21700	14.4
69.22087	4.1
71.01327	2.1
71.05000	14.5
73.02283	1.9
73.02928	4.3
78.39161	1.8
79.05492	27.7
81.06581	4.4
81.07060	72.9
82.07425	2.4
83.01340	16.7
83.04491	2.5
83.04983	42.7
83.08619	7.7
84.47442	1.9
85.02908	3.1
85.06544	12.9
87.00829	2.2
87.04466	6.0
91.05479	24.2
93.07046	71.0
94.07359	3.9
95.04974	30.9
95.08611	35.3
95.49848	1.7
96.95075	1.9
97.05917	2.5
97.06532	38.5
98.06857	1.7
99.04468	18.7
100.75042	2.0
101.02376	5.4
101.06043	2.0
103.99248	1.7
105.07036	63.5
106.07379	2.1
107.04964	5.0
107.08598	40.9
107.09291	3.5
109.06521	34.5
109.10138	9.4
111.00809	26.0
111.04404	2.0
111.08080	59.8
113.05991	6.0
115.03918	9.9
117.07046	4.0
119.04964	5.2
119.05994	1.8
119.08578	38.4
121.06513	50.3
121.07355	3.3
121.10175	7.7
122.06843	2.2
123.04434	4.4
123.08043	9.7
123.11723	29.9
125.06005	17.0
127.07568	10.8
129.01845	20.2
129.07025	7.2
131.08577	7.1
133.04993	2.2
133.06506	6.0
133.10135	37.3
135.04443	3.5
135.08061	28.9
137.06006	6.5
137.13234	3.7
139.07533	32.3
141.05505	3.8
142.07780	5.8
143.03395	16.5
143.07063	8.4
143.08583	8.4
145.10112	9.0
147.08064	7.4
147.11691	100.0
148.12041	4.6
149.09633	4.8
149.13277	6.9
151.07526	3.8
151.11166	20.3
156.09386	2.6
157.01358	5.1
157.08655	8.8
157.10158	21.1
159.06544	4.6
161.04500	5.7
161.05937	2.4
161.09654	2.7
161.13246	10.1
163.11203	2.6
165.12758	46.1
169.12242	61.1
171.02885	29.3
171.11710	16.6
173.09599	3.1
173.13368	2.5
175.11185	76.4
176.11548	3.8
181.10197	2.3
184.08817	2.5
189.03961	15.7
189.12744	27.6
191.14250	2.3
193.12242	96.2
194.12598	6.2
199.11192	22.3
207.13847	10.4
211.13283	71.5
212.13716	3.6
217.03511	3.6
217.12247	68.7
218.12552	3.7
229.14417	7.4
231.04997	65.8
232.05161	2.2
235.13300	72.9
236.13686	4.2
249.06143	3.5
253.14343	87.1
254.14734	9.4
271.15329	10.5
329.08768	2.6
331.10101	2.9
341.12582	2.8
345.11700	3.4
363.14432	2.1
381.15457	10.1
399.16525	65.2
400.16916	8.5
405.15369	4.0
417.17639	25.2
418.18121	2.8
423.16519	71.0
424.16812	6.8
441.17596	99.9
442.17999	11.4
459.18765	10.6
611.20294	3.0
629.20782	31.0
630.21057	3.4
647.21826	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	718.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.6
53.03955	1.1
55.01876	1.8
57.03425	0.6
60.05992	0.4
61.02916	1.1
61.25771	0.5
65.03934	1.2
69.03421	1.7
69.39254	2.1
69.39665	0.7
70.06612	0.5
72.08170	0.5
73.02943	0.4
77.03918	0.8
79.05490	2.4
81.03413	1.1
85.02904	6.2
86.09712	0.9
91.05479	12.9
92.05726	0.5
95.04974	1.8
97.02887	1.6
99.04472	0.5
102.04659	0.5
103.05466	39.0
104.05782	1.6
105.03388	0.9
105.07033	21.4
106.07396	0.5
107.04969	2.1
109.02873	0.8
109.06496	0.6
115.05455	4.2
117.07016	0.4
118.04126	0.6
119.04944	20.5
121.06486	0.6
122.03642	1.9
123.04414	0.6
127.03921	1.4
129.06978	0.6
131.04926	100.0
132.05194	3.5
133.01921	0.8
133.02855	8.8
133.06494	19.5
134.06850	0.8
137.05975	30.5
138.06282	0.7
143.05022	0.7
143.06061	1.9
145.05020	0.8
145.06514	0.6
146.07278	1.1
147.04402	9.4
147.08073	0.9
149.06000	1.4
151.07542	10.6
159.08058	1.6
160.05182	0.5
161.05978	70.7
162.06364	2.8
163.07538	54.2
164.07884	2.5
165.05469	3.4
165.09102	0.6
172.05173	1.8
175.07535	7.8
177.05470	1.7
177.09015	0.6
179.07037	17.5
180.07320	0.7
187.07538	9.7
189.09125	0.6
191.08569	1.4
199.07516	0.7
203.06854	0.6
205.08623	0.9
217.08565	3.8
219.08057	1.3
231.08089	0.6
247.07565	0.6
248.08493	1.1
251.10652	4.1
259.07440	0.8
262.96109	0.5
279.10196	2.3
280.10669	0.4
281.11685	0.4
291.10214	3.3
309.11032	1.0
311.12753	13.5
312.12906	0.7
313.14368	0.8
323.12827	3.3
326.60287	0.4
341.13910	3.2
347.10385	0.5
359.14911	1.1
375.00043	0.4
500.66016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3251
Annotation	Cratoxyarborequinone A
Peak:m/z	Relative Intensity
51.13854	0.6
55.05508	1.4
63.37504	0.5
67.05503	1.1
68.66220	0.6
69.03422	1.7
69.22434	5.1
70.45449	0.6
79.05488	1.5
81.03431	0.8
81.07059	2.3
83.04963	0.6
85.02901	1.7
91.05476	0.9
93.07037	2.2
95.04972	2.3
95.08617	1.8
97.02887	0.8
104.17948	0.6
105.07050	1.4
107.08589	1.6
109.06541	1.1
117.07025	0.8
119.08584	1.8
121.10194	1.7
127.03896	0.9
131.04955	0.6
131.08569	1.0
133.10120	1.0
135.11726	0.7
137.06027	1.2
145.10165	1.2
159.11749	1.0
163.11237	1.1
165.09097	0.8
169.04712	0.7
171.11665	0.7
187.11177	0.8
246.05156	1.5
247.05743	2.2
253.09554	0.7
287.05566	1.6
351.21359	1.8
425.12146	0.8
449.41074	0.9
453.33658	0.9
495.25519	8.1
496.25690	1.0
571.13776	0.7
603.24170	0.7
701.31012	1.9
719.32385	100.0
720.32635	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85951	1.1
70.17979	1.2
80.31180	1.1
175.71542	1.2
194.50499	1.2
208.93221	1.2
210.12642	1.3
230.17853	1.2
719.36133	100.0
720.36487	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	719.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.62908	0.3
55.05516	1.8
57.03445	2.5
57.07096	0.4
61.02933	6.8
67.05515	4.6
67.31123	0.4
69.03442	3.3
69.07081	1.6
70.83260	0.9
71.04997	0.6
73.02930	3.7
79.05491	4.2
81.03410	1.9
81.07060	6.9
81.07516	0.5
83.04990	0.9
83.08656	0.7
85.02906	6.2
91.03955	3.6
91.05478	2.7
93.07051	3.3
95.04990	0.7
95.08620	3.7
97.02885	5.2
99.04483	0.5
99.08115	0.6
101.02395	2.0
103.03958	0.5
105.07052	3.0
107.08623	1.7
109.02905	1.3
109.06519	0.5
109.10156	1.4
115.03931	0.5
119.08578	2.2
121.10128	2.1
123.11733	0.6
127.03923	2.1
131.08609	0.4
133.10156	0.6
135.11719	1.2
147.11739	1.5
156.58142	0.5
185.04233	0.8
220.29207	0.4
239.16457	0.7
243.08403	2.3
335.25848	0.5
438.43069	0.4
441.20978	6.8
519.29248	6.8
520.30322	0.6
719.43433	100.0
720.43756	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01886	1.2
60.04516	0.8
64.73957	0.5
65.03945	2.7
67.05518	1.3
69.03428	2.3
69.36491	2.8
70.06596	2.8
79.05499	1.1
81.03421	0.5
82.04208	0.6
84.08195	0.5
85.02905	5.0
86.09715	0.8
91.05478	4.5
93.03420	0.7
93.07049	0.8
94.04235	0.5
95.04982	1.5
97.02904	1.9
97.06534	1.2
99.04448	0.6
99.51955	0.4
103.05490	1.8
105.07054	1.6
107.04925	2.3
108.05801	0.4
109.02892	0.7
109.06497	0.8
110.03691	1.4
111.04459	1.0
116.07085	0.9
118.04213	0.6
119.04982	2.7
121.06511	5.1
122.03665	1.0
123.04473	1.1
123.08091	0.8
124.05225	0.6
125.05995	1.1
127.03941	0.9
131.04955	3.0
132.05293	0.5
133.06496	1.7
135.04424	0.8
135.08115	0.5
136.05214	1.3
137.02322	0.5
137.05981	23.2
138.03145	0.8
138.06342	1.5
142.02637	1.4
145.04958	1.2
145.06421	0.8
146.03658	1.3
147.04420	3.2
149.05997	1.9
150.71873	0.4
151.03908	1.0
151.07530	4.3
153.05467	3.3
153.07001	1.1
155.07115	0.5
161.06001	4.2
161.73721	0.5
162.06561	0.6
162.66370	0.6
163.03864	1.5
163.07516	2.6
164.04698	1.9
165.05486	1.8
165.06880	0.9
167.07050	12.0
171.06573	2.4
171.07869	0.5
177.05450	1.8
179.07036	32.2
180.05737	0.5
180.07376	1.2
181.04967	69.0
181.06326	3.0
181.08389	4.7
182.05240	2.7
182.07318	0.6
185.09610	0.8
189.05437	1.5
191.06921	0.7
192.04219	2.2
193.08649	3.1
195.08075	1.5
197.06029	0.6
197.08087	0.7
198.06747	1.5
207.06529	100.0
208.06888	4.6
209.06026	0.8
210.06746	0.6
211.07587	0.7
213.09152	2.5
219.06599	0.6
223.07451	1.3
226.06232	1.0
227.09050	0.6
235.07455	0.8
237.05525	0.8
239.06958	0.9
241.08643	4.3
245.11711	0.8
251.07066	1.4
255.06523	0.6
255.09958	0.5
269.08078	3.6
271.06015	1.0
271.09543	1.2
273.11221	3.8
283.09537	0.9
286.08264	1.2
287.09116	0.6
291.90436	0.5
295.09637	2.2
297.07410	0.5
301.10687	9.2
302.11218	1.3
313.10626	4.2
313.86694	0.5
318.10678	1.0
325.10245	0.6
329.10104	1.3
331.11755	9.2
333.13318	30.5
334.13596	1.7
343.11279	0.6
361.12793	25.4
362.12924	1.7
379.13895	20.9
380.13879	1.3
720.23016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.1
51.91284	1.0
53.03945	3.1
55.01876	3.2
57.03434	2.9
61.02961	1.2
68.78699	1.0
69.03437	11.2
69.78356	2.4
69.78749	2.1
70.06582	1.4
71.01365	1.0
71.05022	1.7
72.08157	1.8
73.02943	1.6
75.98180	0.9
79.05491	5.6
81.03417	6.4
84.08141	1.1
85.02907	17.9
86.09674	1.3
91.05486	14.4
93.07047	2.5
94.04198	2.6
95.04974	3.4
97.02901	6.4
99.04476	2.3
103.03954	2.1
103.05470	16.7
105.07029	15.3
107.04961	31.1
107.38249	0.9
107.81204	1.0
109.02918	3.5
109.06498	1.1
111.04420	1.4
115.03988	1.7
115.05464	5.4
117.07044	2.2
119.04960	13.4
120.08166	1.4
121.06522	9.6
122.03665	3.9
127.03917	8.9
128.06230	2.2
129.06979	5.5
131.04922	20.3
131.08540	2.1
133.02853	10.0
133.06497	17.7
135.04420	2.9
135.08052	8.7
137.05977	98.1
138.06303	2.9
141.36272	1.0
143.04903	1.5
145.04962	6.7
145.06497	3.3
146.07280	2.8
147.04411	16.8
148.05226	2.8
149.05992	21.0
149.07227	1.4
150.06796	2.4
151.03891	2.5
151.07542	34.1
153.05464	1.0
157.06537	5.2
158.07190	1.1
159.04410	2.0
160.05284	1.4
161.05981	83.5
161.09608	19.3
162.06747	5.2
163.03914	1.6
163.07547	67.9
164.07921	3.4
165.05453	3.8
165.06941	1.5
165.09071	8.9
167.07060	8.3
167.08443	2.2
169.06516	1.6
174.06783	2.8
175.07564	14.3
177.05486	4.2
177.09120	4.0
179.07056	18.8
179.08556	0.7
179.10612	1.7
181.05028	1.6
181.08611	14.3
183.10211	3.5
187.07567	2.6
189.09099	50.8
190.09518	1.7
191.07039	10.3
192.07549	1.3
193.06653	1.9
193.08627	4.4
195.08084	4.3
195.10121	1.5
201.09113	3.4
203.07028	5.9
203.10625	1.9
205.08641	1.8
207.10170	100.0
208.10570	4.8
210.06668	1.1
212.53801	1.0
213.09161	1.0
215.07053	4.0
217.08646	3.5
219.10170	5.7
221.06044	1.5
221.07976	1.6
223.07652	2.0
225.09178	2.1
225.11259	4.0
227.07114	1.1
227.10612	5.8
229.08556	2.9
231.10191	1.5
233.07967	1.9
235.09662	1.1
241.08617	2.5
243.10196	1.5
245.08188	2.7
247.09741	2.1
249.11145	4.7
253.08643	3.1
253.12299	3.0
255.10236	6.1
257.08182	1.5
265.10828	1.4
267.09973	1.4
267.83902	1.2
269.08008	1.4
273.11160	6.8
275.09131	2.7
285.11267	8.6
287.09662	1.8
287.12704	10.8
291.12311	11.2
293.10245	4.2
297.11298	4.3
299.12939	2.0
305.10080	1.7
309.13297	3.1
311.12155	4.0
313.14316	14.3
314.14807	1.7
323.11249	3.7
325.14536	1.8
331.15399	56.3
332.15753	4.4
343.15399	10.5
344.15887	1.4
385.84012	1.0
447.62433	1.1
457.18491	1.3
475.84991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	2.0
57.03439	1.9
61.02918	2.2
65.03947	0.9
66.07877	0.6
67.92744	0.6
69.03433	10.9
70.06577	1.0
70.69621	0.6
71.01379	0.7
71.04998	1.5
71.11404	0.7
73.02921	1.6
76.29317	0.6
79.05491	4.3
81.03415	6.6
81.07033	0.9
83.04981	0.8
83.39228	0.6
85.02911	21.2
87.04466	0.8
91.05477	13.1
93.07037	1.1
94.04182	2.0
95.04957	2.8
97.02894	9.3
97.42952	0.7
99.04452	2.9
103.03951	1.1
103.05469	18.1
105.06366	1.3
105.07033	15.7
107.04295	0.9
107.04964	12.2
109.02908	3.6
109.06467	1.1
115.03954	0.6
115.05466	4.1
117.07010	2.2
119.04947	10.5
121.06489	4.9
122.03639	6.0
123.04426	0.8
127.03931	10.1
129.07016	3.9
130.04196	1.0
131.04933	30.4
131.08588	1.3
132.05289	0.9
133.02858	2.2
133.05576	1.1
133.06503	15.9
135.04419	0.8
135.08052	4.7
136.05217	0.7
137.05981	100.0
138.06348	3.4
143.04941	1.8
145.04967	5.4
145.06479	2.5
146.03658	1.0
146.07278	1.3
147.04422	15.7
147.07988	1.2
148.05156	2.0
149.05986	13.3
149.09634	0.8
150.06732	0.8
151.03954	1.6
151.07550	29.6
157.06483	3.2
159.04459	0.8
159.06717	0.7
159.08023	1.2
160.05191	1.5
161.05984	49.4
161.09602	8.2
162.06662	5.6
163.07549	66.3
164.07988	2.9
165.09117	8.8
167.07045	4.7
167.08459	1.4
173.05914	1.2
174.06747	1.7
175.07550	12.0
176.08203	0.7
177.05519	7.1
177.09116	19.0
178.07864	0.8
178.09459	1.2
179.07051	14.4
179.10669	2.3
181.04951	1.2
181.08612	6.8
183.10182	1.1
185.06064	1.1
187.07567	2.2
189.09111	30.8
190.09460	1.9
191.07037	5.8
193.08543	2.2
195.08092	3.8
195.10170	2.2
196.08788	0.7
197.06087	1.0
197.07986	0.8
201.05453	0.7
201.09114	1.4
203.07091	4.7
203.10751	1.8
205.06721	0.7
205.08589	0.8
207.10172	50.7
208.10446	3.6
209.08034	1.5
212.08369	0.8
213.09079	1.2
215.06998	2.7
217.08575	1.0
219.10141	5.4
219.20879	0.6
221.06123	1.3
221.08018	1.6
221.09781	1.0
221.11688	10.4
223.07518	1.5
225.09079	1.3
227.07057	0.9
227.10762	4.4
229.08664	1.6
233.07985	0.8
245.08238	2.0
245.47864	0.7
251.06868	1.0
253.08765	2.0
253.12299	2.2
255.10123	5.1
263.09250	1.1
265.08670	1.3
267.10156	2.0
269.08151	1.6
269.11618	1.0
273.11102	0.9
275.09146	2.4
281.11740	2.0
284.10321	0.9
285.11203	4.8
287.09372	1.8
287.12753	11.1
291.12296	1.7
297.11212	2.3
299.12888	2.9
301.14465	0.9
305.10229	1.9
311.12885	3.9
313.14346	13.1
323.11230	2.8
325.14252	1.6
331.15408	62.6
332.15683	6.4
337.03360	1.5
341.12366	2.6
343.15408	8.3
344.15720	0.9
345.16956	1.0
361.16711	0.8
423.40186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27658	0.8
66.19765	0.9
69.69375	2.3
69.69778	2.9
93.06977	0.9
98.23254	1.3
117.85588	1.0
163.48160	0.9
173.52814	1.0
176.84340	1.2
240.08687	0.9
288.15976	1.0
346.76053	0.9
391.19324	1.0
721.37646	100.0
722.37872	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	721.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96336	1.7
66.57375	1.5
71.31194	1.7
84.82758	1.4
89.80728	1.7
147.03668	1.5
223.21411	1.5
251.05746	3.3
259.06253	4.9
273.07715	11.4
274.98389	1.7
277.07254	9.3
291.08817	15.8
373.12198	1.6
373.16830	6.1
391.18158	38.1
392.18326	2.3
409.18631	7.6
721.41797	100.0
722.42236	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	722.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.4
53.00773	1.2
53.03943	4.6
53.68987	1.4
55.01877	21.5
55.05268	1.7
55.05510	18.5
57.03439	15.7
59.03075	3.6
59.04995	8.4
61.02933	1.6
63.06043	1.2
65.03926	3.9
67.05502	26.1
68.99771	2.2
69.03432	10.9
69.07071	18.4
71.01352	2.5
71.04637	1.8
71.04996	14.9
75.04482	3.5
79.05060	2.2
79.05495	34.4
80.05817	2.0
81.03432	4.7
81.07058	59.8
81.70391	1.3
82.07368	2.8
83.01348	8.4
83.04985	32.4
83.08627	6.7
85.02911	11.7
85.06547	6.2
87.00806	1.5
87.04494	6.8
91.04896	1.6
91.05476	33.9
93.07046	64.2
95.01298	2.1
95.04364	1.6
95.04971	28.3
95.08618	26.3
96.08939	1.8
96.79282	1.2
97.02897	2.6
97.06536	35.5
98.06854	2.0
99.02538	3.2
99.04446	12.7
101.02378	5.4
101.04112	4.0
101.06026	3.8
105.04520	2.5
105.07033	69.2
105.79688	1.6
106.07366	2.6
107.04967	6.9
107.08594	43.7
108.08965	1.9
109.02903	1.6
109.06522	36.0
109.10175	9.7
110.06871	1.2
111.00808	17.5
111.04437	3.1
111.08086	24.3
113.00438	4.7
113.04078	5.4
113.06004	3.8
115.03936	12.4
115.05453	5.4
115.16694	1.3
117.07032	8.5
119.04930	3.9
119.07771	2.7
119.08582	42.0
120.08883	3.5
121.06509	50.4
121.10148	7.9
122.06824	3.1
123.04437	5.7
123.08064	14.6
123.11723	9.0
125.02390	8.6
125.05984	16.2
125.09602	1.6
127.01984	13.1
127.03870	3.2
127.07555	15.5
128.06233	2.7
129.01831	5.1
129.03535	4.3
129.05486	3.5
129.07024	7.8
131.05035	2.3
131.08559	12.7
133.06503	8.7
133.10135	35.1
134.10431	1.7
135.04428	4.3
135.08061	33.4
135.09068	1.6
135.11638	2.4
137.05977	7.1
137.09633	2.5
137.13286	2.6
139.07545	26.5
141.01805	3.6
141.03526	3.4
141.05533	1.5
141.06979	2.2
142.07762	11.4
143.03424	8.9
143.05095	4.7
143.07051	4.4
143.08586	10.8
145.03018	4.5
145.10124	14.6
147.08080	8.7
147.11687	85.8
148.11998	5.1
149.09663	3.8
149.13254	4.7
151.07503	1.9
151.11195	9.0
153.01842	2.7
153.09138	1.9
155.01476	7.7
155.08603	3.1
156.09329	4.8
157.01306	2.3
157.03093	1.5
157.05019	1.6
157.06560	2.0
157.08701	3.2
157.10109	23.9
159.04599	6.3
159.06573	3.4
159.08034	1.4
159.11699	4.4
160.08807	1.6
161.04355	3.1
161.05986	4.2
161.09619	3.8
161.13272	14.2
163.11195	3.8
165.07051	1.9
165.12761	46.8
166.13127	3.4
169.03020	8.3
169.12279	10.7
171.02898	32.9
171.04390	3.1
171.08018	2.1
171.11664	18.6
172.12071	1.9
173.02542	4.7
173.09666	6.7
173.13283	2.4
175.11189	70.4
176.11497	2.5
179.07091	1.7
181.10112	4.9
183.04579	3.6
185.04488	9.1
187.04036	7.8
187.11244	3.0
189.03972	5.9
189.12749	40.5
190.13155	2.9
191.10643	3.4
191.14272	2.1
193.12241	97.3
194.12524	6.7
197.02542	7.0
199.11185	24.2
200.11572	1.9
201.05716	2.6
203.05499	26.0
205.04889	1.8
207.13821	14.1
211.04041	4.2
211.13295	22.8
212.13660	2.2
215.03630	5.9
215.10583	1.5
217.12244	100.0
218.12575	8.0
221.06589	2.0
229.05118	4.7
231.05046	5.0
235.13292	89.2
236.13576	7.1
247.06241	4.0
253.14345	54.1
254.14658	4.9
261.12866	2.2
271.15555	2.4
273.05759	1.4
279.13986	2.4
287.05450	6.4
288.05750	3.7
289.06189	4.0
295.15356	3.7
297.14957	2.5
313.09125	2.2
325.03534	2.4
355.08478	1.9
357.09811	3.4
373.09460	2.5
381.15378	2.6
403.06906	2.3
405.15280	3.4
407.15067	4.5
423.16534	28.1
424.16818	5.0
425.16098	10.9
426.16797	1.6
431.15067	2.7
437.18063	3.5
439.17554	2.4
441.17313	4.3
445.07703	1.5
449.16220	22.8
455.18759	3.2
457.18808	3.1
463.17596	2.0
467.17365	30.4
468.17621	2.3
481.18954	10.3
485.18204	3.2
499.13034	2.1
499.19449	9.7
513.14563	1.6
534.76312	1.6
595.17883	1.6
608.07690	1.7
619.17761	2.5
637.19287	18.1
645.22150	1.6
651.21497	2.6
655.20532	17.4
656.20367	1.9
669.22015	13.9
687.22839	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	722.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02418	0.4
53.03955	4.6
55.01864	2.8
57.03446	2.2
61.02923	3.6
65.03934	1.4
67.05496	2.3
69.03432	8.3
70.06593	0.6
70.57330	0.9
70.57664	0.5
71.01354	0.6
71.04984	1.1
73.02921	4.5
77.03941	0.7
78.04710	1.8
79.05499	0.9
81.03413	3.3
85.02908	28.6
86.03205	0.5
86.09740	0.5
87.04467	1.1
89.03927	1.1
91.03963	1.9
91.05486	3.3
95.04972	30.3
96.05310	1.0
97.02895	11.6
97.06550	0.5
99.04454	1.1
103.05459	0.7
105.04530	2.3
106.04173	0.8
107.04964	1.3
109.02876	3.1
115.03922	2.3
117.03375	1.3
119.04945	4.8
119.08578	0.5
121.06535	0.8
123.04433	46.6
124.04713	0.7
124.05317	0.8
125.02345	1.0
127.03924	6.8
127.07534	3.7
131.04927	1.4
133.02946	0.5
133.04961	3.5
134.03609	0.7
137.05995	5.6
140.04680	10.5
145.04950	8.9
147.04404	6.1
149.05977	6.4
151.03914	1.2
151.07538	9.1
152.04674	1.1
153.05424	0.7
155.07034	31.0
156.07365	0.8
161.06017	0.7
163.06010	3.4
163.07539	1.7
167.07043	100.0
168.07373	3.9
177.05537	0.7
179.07037	5.8
183.06531	65.1
184.06860	2.2
191.07013	0.9
193.85321	0.5
195.08026	2.0
212.08289	0.8
213.09221	0.7
221.17268	0.4
223.07626	5.6
224.08147	1.1
225.09102	1.5
227.10655	0.8
240.07805	1.7
241.08778	2.4
255.10187	8.9
256.10931	3.6
257.11737	1.6
259.08185	1.9
263.34799	0.5
272.10559	0.5
277.09143	1.0
283.09586	2.2
284.10123	0.8
287.12787	14.1
288.13065	1.3
295.10184	3.6
299.12827	0.5
315.12259	11.2
325.11249	2.2
327.11966	1.1
345.12500	2.0
382.18924	0.6
448.12689	0.5
636.76959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
55.05512	12.0
55.85484	3.9
57.03429	5.3
59.75377	3.2
61.02920	18.5
67.05503	43.2
69.07082	5.7
70.63713	11.0
79.05508	26.4
81.07057	50.2
83.08615	5.4
85.02901	30.1
85.06538	5.2
91.03945	27.3
91.05487	12.6
93.07037	36.2
95.05019	4.6
95.08617	45.6
97.02887	11.6
105.07046	11.9
107.08593	20.5
109.10154	29.9
119.08595	16.4
121.10159	21.0
121.10928	3.7
123.11703	19.4
127.03949	11.7
131.08578	15.1
133.10129	11.5
135.11705	25.3
137.13240	4.7
145.04973	15.3
145.10139	10.4
147.11684	12.2
149.13263	15.9
153.15898	3.9
159.11723	13.1
161.13252	7.1
163.06046	18.5
163.14828	14.2
173.13322	13.6
177.16386	7.5
187.14815	12.0
201.16347	4.2
240.57487	3.9
243.21199	30.6
244.21472	3.8
253.14131	4.0
261.22144	100.0
262.22577	9.1
271.06091	14.8
279.23001	5.8
287.05533	28.3
306.27756	5.8
335.25839	33.5
345.88852	4.1
353.26807	49.6
376.14072	3.9
399.58023	3.8
524.08118	4.5
586.74908	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	723.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.4
67.21970	0.3
69.03436	0.5
69.05225	3.4
69.07072	0.5
79.05499	0.4
81.03442	0.4
81.07072	0.8
83.05013	0.5
85.02913	1.3
93.07073	0.8
97.02863	0.6
97.06532	0.6
98.22633	0.6
99.04471	0.5
105.07050	0.9
107.08646	0.4
109.02882	0.9
109.06471	0.4
111.00655	0.5
119.08599	0.7
125.53165	0.3
127.03947	1.4
133.10161	0.6
134.10500	0.4
135.08087	0.4
136.38945	0.4
137.06020	0.5
137.97658	0.4
141.01811	0.6
145.05008	0.5
147.11688	0.5
150.38821	0.3
153.01709	0.5
161.04468	0.5
166.02470	0.5
175.14821	0.5
200.27507	0.4
201.12833	0.3
210.27614	0.4
213.01732	0.3
229.03241	1.6
237.03813	0.4
247.04196	2.5
249.14749	0.9
251.12547	2.9
257.02719	0.7
287.05530	2.2
291.15607	0.5
293.13504	2.3
299.03656	2.3
311.14658	5.3
312.15186	0.5
317.04831	3.0
323.14798	0.8
329.08536	0.5
335.14737	0.9
353.15738	7.1
354.16183	0.9
367.17599	0.4
375.17722	0.5
377.15875	1.4
383.16815	3.5
395.16913	2.9
397.14847	0.8
413.17487	0.5
425.18091	2.1
429.17456	0.8
437.17816	3.7
439.15744	3.6
455.18860	1.9
457.16937	4.2
471.18515	0.6
473.20016	0.6
479.18930	1.6
481.16837	0.6
499.17828	7.9
500.18234	0.7
509.19849	0.9
517.19012	2.4
529.19171	0.4
541.18811	2.6
555.20587	0.4
559.20007	1.8
563.20514	0.4
571.19818	1.7
589.21027	4.5
590.21295	0.7
625.21094	1.2
635.21515	0.6
643.22119	3.7
644.23212	0.5
645.20105	1.0
661.22821	2.3
663.20880	1.5
679.24298	1.1
687.20862	1.2
705.22083	17.4
706.22784	2.0
723.23120	100.0
724.10699	0.7
724.23486	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
58.46636	0.2
69.41094	1.3
78.04709	2.3
79.05496	1.2
81.07037	0.4
85.02905	0.5
85.42996	0.2
87.38645	0.2
91.05459	0.4
93.07054	0.3
95.04977	0.7
96.05767	0.3
98.23350	0.5
103.03909	0.2
103.05458	0.4
105.07031	3.1
106.04198	1.4
107.04948	1.7
109.02940	0.2
115.05431	1.1
117.07001	0.9
121.06524	0.3
122.03610	0.4
123.04424	6.1
124.05212	2.0
125.05983	0.2
127.03947	0.2
127.95698	0.2
128.06194	0.3
129.06902	0.3
133.06479	2.9
134.03641	0.3
134.06750	0.2
135.04437	0.2
137.06012	0.7
138.06839	0.2
143.08601	0.3
144.05716	0.4
145.06485	1.3
151.03856	1.1
152.04663	1.6
153.06982	0.3
155.06047	0.2
161.05974	5.9
163.07700	0.3
166.06303	0.3
167.07037	100.0
168.07376	3.0
171.08040	0.6
172.05258	0.2
173.05957	1.9
181.08607	1.5
187.07578	0.9
193.08595	5.7
194.08974	0.2
199.07570	0.9
205.08612	6.5
206.08887	0.3
217.08578	0.3
219.10199	1.2
231.10152	3.0
250.06387	0.2
278.09698	0.3
285.91144	0.2
321.11334	0.3
325.14398	0.5
353.13846	2.7
385.16418	5.7
386.16928	0.4
459.08643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.4
55.01877	26.6
55.05514	12.3
57.03444	8.6
57.07093	2.2
59.05000	2.4
61.02914	5.6
61.79165	1.6
62.78931	1.6
65.03929	2.2
67.05213	2.0
67.05513	17.9
68.99792	6.9
69.03433	27.9
69.07060	14.6
69.25406	13.5
71.01340	3.0
71.04996	40.5
71.24678	1.7
72.88484	1.6
73.02910	4.7
73.06548	2.9
79.05061	2.6
79.05497	32.8
81.03415	26.1
81.07061	99.5
82.07399	2.8
82.99888	1.6
83.01345	20.2
83.04981	2.9
83.08618	4.8
85.02911	27.9
85.06532	2.0
87.00834	22.7
87.04467	6.2
91.05486	22.9
93.06462	3.4
93.07049	53.8
95.04961	4.4
95.08604	30.6
97.02895	21.2
97.06525	4.3
97.10145	3.1
99.04445	9.8
99.08067	3.4
100.96582	1.7
101.02409	6.1
103.05497	2.2
105.01852	6.7
105.07031	64.3
106.07414	2.6
107.04891	1.9
107.08598	57.8
109.02882	29.1
109.10159	40.1
111.00803	34.9
113.09580	3.2
115.03931	11.7
117.07034	5.5
119.03445	2.3
119.08584	100.0
120.08886	2.0
121.10149	11.6
123.08009	1.8
123.11717	17.9
125.09596	2.2
127.03913	46.8
127.11206	26.0
129.01851	18.5
131.04889	2.2
133.10138	28.5
135.11696	80.1
137.05963	5.3
137.13240	3.6
139.00270	2.0
141.01845	3.7
143.03404	24.5
143.10689	2.9
145.04977	14.9
145.10184	3.1
147.02890	6.8
147.11684	27.0
149.13260	6.7
153.01825	2.4
153.12735	14.6
157.01370	5.6
159.02887	10.0
161.04456	6.8
161.05998	2.2
161.13243	12.4
163.14836	3.4
167.07031	4.5
171.02892	40.3
171.04355	2.5
172.03220	2.2
175.14830	2.7
177.16272	2.1
181.04935	3.6
189.03937	14.1
193.08643	2.3
203.17943	64.9
204.18216	2.0
213.03957	4.7
221.18997	54.0
222.19386	2.6
231.05006	6.0
249.06044	2.8
257.02866	25.5
275.03989	62.5
275.06967	3.2
276.04300	3.8
287.05457	4.7
293.05087	11.9
293.07797	2.1
317.04895	4.2
347.06076	5.0
373.07733	2.2
383.06131	11.4
401.07150	38.2
402.07266	2.4
419.08209	88.0
420.08533	4.6
437.09250	21.6
567.11487	2.8
606.02325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76196	1.3
61.42308	1.2
65.10273	1.3
68.64352	1.2
70.88779	2.9
91.79375	1.3
102.26370	1.1
115.55484	1.3
167.07056	1.5
182.94598	1.5
185.04237	3.1
198.25717	1.3
206.05502	3.6
207.06346	4.9
369.11588	100.0
370.12018	5.4
383.09512	10.5
384.09482	1.4
577.17310	1.5
583.36530	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05450	2.0
66.18835	2.1
67.05493	2.4
71.32327	2.8
79.05511	2.3
81.07039	2.9
81.08507	1.9
91.05489	2.7
93.07091	3.1
95.08634	3.6
119.08556	2.4
121.10184	2.1
158.89282	2.4
217.38942	2.3
298.45239	1.8
304.14594	2.6
353.11896	2.4
416.16092	2.4
433.20862	2.3
447.18494	2.4
449.19693	4.3
461.20453	2.7
463.21799	3.3
489.18921	2.9
509.21970	3.9
519.19702	2.6
521.21991	4.6
535.23553	3.9
536.24585	2.8
547.23560	2.8
549.20624	2.4
563.23053	5.2
564.23193	4.0
567.25873	4.8
579.26105	6.7
595.25446	7.0
610.28058	10.7
623.24634	10.5
637.27496	2.9
655.27740	5.0
665.25867	26.3
666.26544	6.0
667.44226	2.2
683.27063	42.9
684.27753	5.4
697.28772	46.3
698.28900	9.9
729.31323	100.0
730.31848	20.6
746.92468	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01860	1.0
57.82152	0.7
61.02914	0.6
64.76083	0.4
65.03927	0.6
66.92799	0.4
69.03418	1.3
69.26456	0.9
69.26855	1.9
70.06596	0.6
72.08141	0.8
77.03918	0.6
78.04702	2.2
79.05122	0.5
79.05500	5.6
81.03409	1.4
81.07055	1.3
85.02894	3.4
86.09728	0.9
90.04752	0.5
91.05478	4.4
93.07040	1.2
95.04971	1.2
97.02883	1.6
97.06540	0.5
99.04475	0.7
99.31993	0.4
103.05466	2.6
105.03355	0.6
105.07038	7.0
106.04162	1.5
107.04956	11.7
109.02879	1.0
109.06493	0.7
115.05444	2.7
116.06250	0.6
117.06989	1.6
118.04196	0.9
119.04993	1.0
119.08561	2.4
120.08100	1.7
121.06486	1.0
121.10134	0.5
123.04433	4.7
124.05219	2.9
125.06011	1.0
126.44680	0.5
127.03931	1.1
128.06198	2.1
129.07010	11.1
131.04921	3.9
131.08534	1.2
132.05702	1.7
133.06487	6.5
133.10146	0.6
137.05992	3.1
140.04675	0.9
141.07001	0.6
143.05994	0.7
144.05696	1.3
145.04948	0.9
145.06461	2.2
145.10146	0.5
147.04419	1.2
147.08067	3.2
149.05957	1.2
149.13184	0.5
151.03900	1.5
152.04655	2.0
153.01848	0.5
153.05441	2.6
153.06863	0.5
155.04897	1.5
155.07031	0.7
156.05711	0.8
157.06488	1.5
159.08058	7.6
160.05203	1.6
161.05978	14.4
161.09616	1.0
163.07530	1.2
165.05577	0.6
165.06911	0.7
167.07037	100.0
168.07365	2.9
169.06488	0.5
171.08095	0.9
172.05200	2.9
173.05919	0.8
175.07547	17.5
176.07906	0.6
177.05461	1.8
178.07788	1.5
179.07010	1.4
179.08530	0.7
180.08717	1.1
181.08592	1.3
184.05234	0.6
187.07542	28.6
188.07909	1.0
189.07193	1.0
189.09113	2.6
190.07703	0.8
191.07016	8.0
191.08594	0.6
192.09517	0.5
193.10094	1.4
199.07530	7.5
202.07768	1.6
203.08591	3.5
205.06506	1.3
205.08511	1.0
206.07231	4.4
207.08049	1.1
209.08102	2.9
214.09879	0.6
215.08592	1.0
217.06638	1.0
217.08588	3.1
218.07237	3.4
219.07994	2.5
220.08804	1.9
221.09583	6.7
230.07173	0.5
231.08044	2.4
232.08693	0.8
233.06018	0.8
233.09656	2.2
234.06767	4.7
235.07495	1.7
238.09662	0.6
245.05975	1.1
246.06732	1.3
247.07549	1.7
248.08211	0.9
249.09106	9.6
250.09761	1.5
251.06981	2.9
259.07498	1.0
261.09000	3.7
262.06439	0.9
262.09689	0.8
263.06989	1.7
265.08676	1.4
266.09366	2.4
275.06876	0.7
276.07791	0.8
277.08566	4.8
278.09387	1.9
279.06702	1.1
279.10144	1.4
281.08643	1.1
281.11713	19.3
282.12018	1.3
288.93173	0.6
289.08603	3.7
290.09296	1.5
291.10147	2.0
292.10986	0.5
293.08246	1.0
293.11664	1.9
294.08865	2.1
295.09711	1.6
306.08856	1.5
307.09546	1.4
308.10150	0.5
309.07645	0.7
309.11185	17.7
310.11847	2.8
311.09192	1.6
311.12677	0.8
321.11157	5.8
322.11868	1.3
325.10760	0.5
326.11539	2.8
338.11517	0.6
341.13831	73.3
342.14169	6.1
343.15344	1.6
353.13834	20.3
354.14130	1.7
359.15088	0.7
371.10654	0.9
371.14920	8.8
533.19788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91025	0.2
62.75182	0.2
69.07035	0.3
71.31670	0.3
72.93263	0.2
74.41741	0.2
78.04706	0.7
79.05474	0.3
81.03410	0.3
81.07057	0.5
85.02884	0.5
87.00813	0.4
87.47420	0.2
87.60534	0.2
91.05492	0.3
93.07023	0.2
95.04967	0.4
97.02903	0.4
103.05462	0.3
105.07042	0.6
107.04959	0.5
108.00880	0.2
117.07113	0.3
119.08585	0.3
123.04441	1.7
124.05221	0.5
133.06512	0.5
137.05975	0.6
142.54694	0.2
143.03149	0.3
145.06470	0.4
151.03917	0.5
152.04686	0.5
158.89259	0.2
161.06024	0.8
167.07047	19.7
168.07381	0.8
171.08029	0.2
173.06044	0.3
181.05048	0.3
185.04222	22.9
186.04561	0.6
193.08678	0.4
203.05270	6.9
205.08577	0.6
214.06027	0.6
231.10330	0.3
347.09494	100.0
348.09842	5.4
373.38742	0.2
407.14743	2.3
474.09790	0.2
726.36224	0.3
731.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01545	1.0
56.60979	0.9
60.69008	1.1
69.10040	1.5
69.10382	9.3
81.07063	1.6
93.07071	1.7
95.08619	1.2
98.23425	2.2
114.51114	1.1
118.06498	1.7
134.06038	2.2
208.09970	1.7
209.10770	1.8
212.13138	1.7
220.09996	1.2
221.10756	2.5
223.12244	2.9
224.12939	1.4
225.13869	4.6
235.12286	2.0
237.10281	1.8
237.13858	4.9
241.09451	1.3
249.13939	2.1
255.11588	1.5
265.91788	1.3
269.13046	1.3
273.13757	1.4
275.15622	1.3
297.12378	1.4
307.10706	1.4
316.14529	1.4
326.12872	1.5
328.14359	2.1
340.14563	1.7
350.75848	1.2
352.10669	1.2
354.12469	1.9
372.13303	1.3
384.12991	1.1
389.17804	1.3
394.15875	1.2
403.15152	2.0
404.15717	1.2
405.20963	2.2
417.16901	3.8
419.18607	1.8
429.16983	1.9
430.17908	2.3
431.18726	2.5
432.19556	1.5
434.16989	1.5
445.20703	2.4
447.21848	2.6
448.22733	1.3
449.19525	2.9
457.16550	1.9
458.16434	2.2
461.23697	1.1
462.24438	2.0
464.21997	1.5
473.19788	6.0
474.20435	2.3
475.21457	2.5
477.19019	1.7
485.15857	2.0
487.21011	5.0
488.22345	1.9
489.19482	1.7
490.19632	1.7
491.20740	2.1
499.21646	2.0
500.18198	1.4
501.19058	7.0
502.19379	4.3
505.22034	4.1
507.23761	4.1
514.19250	1.4
515.20697	9.5
516.21826	8.9
517.21979	3.8
533.21661	4.9
534.22205	1.6
537.24512	3.6
543.20221	1.4
547.23761	6.5
548.23627	3.8
549.23285	1.7
561.21393	1.6
565.24329	3.2
574.21777	1.3
575.22900	9.8
576.23615	3.0
579.25983	7.9
580.26758	21.5
581.26776	3.0
603.22382	3.6
607.25690	8.4
608.25934	2.4
611.28851	1.5
617.23737	3.6
635.25061	100.0
636.25427	19.6
639.28168	1.8
649.26526	2.0
667.27612	27.7
668.28082	6.2
699.30438	7.9
700.31030	1.5
731.30383	2.3
731.42010	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	731.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56035	0.5
67.05511	1.9
69.96233	1.2
69.96648	1.8
79.05501	1.4
81.07066	0.8
91.05470	0.7
93.07024	1.1
95.08614	1.1
107.08562	0.6
118.06514	0.7
120.08105	0.9
173.10718	0.8
197.10791	1.3
199.08791	0.5
208.09825	0.8
209.10751	1.8
210.11415	1.2
211.12260	0.9
221.10623	0.9
222.11517	1.0
223.12299	1.9
225.10199	1.2
225.13936	1.9
231.90305	0.6
235.12314	1.2
237.10191	1.1
237.13939	2.5
238.14590	0.7
239.15451	0.9
247.12318	0.8
249.10301	0.6
249.14064	1.1
255.11472	0.8
256.12051	0.7
259.20279	0.6
265.20016	0.6
269.12933	0.7
276.16302	0.7
283.10846	0.7
304.90729	0.7
311.14175	0.7
325.12140	0.7
326.12988	1.0
339.13501	0.8
340.14581	0.6
354.12543	0.9
356.13910	1.2
358.15753	0.8
370.15588	1.0
372.17264	1.7
374.15488	0.6
375.16019	0.9
377.18146	0.7
382.15460	1.0
383.16946	0.7
384.17322	0.9
389.17731	1.7
390.18579	1.6
391.19296	1.6
392.19861	0.8
401.14459	0.7
402.14468	0.9
403.14874	1.0
403.19611	1.2
405.20975	2.8
406.21600	1.0
415.15546	1.3
416.16357	1.0
417.16800	3.5
418.17615	1.6
419.22461	2.1
420.22906	1.6
430.18387	0.8
431.18845	2.6
432.20068	1.3
433.20193	1.3
435.18048	1.5
436.18240	0.8
445.15805	0.8
446.21008	0.8
447.22137	3.0
448.22525	1.1
449.19650	4.6
450.20410	2.8
451.21454	1.4
457.16849	2.0
458.17288	1.0
459.18094	1.2
461.23407	2.1
462.24408	1.6
463.21518	2.8
464.21948	2.2
465.22989	2.7
473.19867	2.5
474.20398	1.3
475.21378	2.1
478.24094	1.2
479.24667	6.5
480.25253	1.0
485.16260	0.8
486.16660	1.3
487.21307	2.3
488.22086	1.6
489.22601	0.9
491.20621	1.7
493.22525	2.0
501.19281	3.1
502.19800	1.3
505.22357	2.5
506.23373	3.4
507.24014	16.1
508.24368	2.3
515.20734	3.9
516.21570	5.9
517.22559	1.1
519.23169	0.8
520.24750	3.5
521.25781	8.0
523.23505	1.4
531.24377	1.1
533.21948	3.4
534.22693	1.0
537.24933	3.0
538.25549	0.9
547.23322	1.8
548.24133	3.9
549.24811	0.7
551.25391	1.0
552.27203	1.6
565.24500	5.8
566.24377	1.1
575.22937	2.2
579.26276	5.6
580.26831	100.0
581.27106	12.1
607.25562	9.6
608.26135	1.9
623.28290	2.8
635.24976	19.6
636.25134	2.4
639.28394	3.1
650.93005	0.7
667.27588	38.2
668.27844	6.7
731.30334	6.7
731.43170	1.4
732.30493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33244	1.1
53.03947	8.3
55.01876	8.7
55.05511	2.0
57.03439	6.8
61.02925	4.6
65.03936	5.2
67.05511	4.1
68.99783	4.0
69.03432	51.5
69.70072	0.9
70.35738	1.8
70.36063	1.7
71.01357	3.6
71.04990	9.5
72.23852	1.1
73.02921	6.9
73.35799	1.0
78.03011	0.9
79.05495	4.2
81.03420	45.1
81.07054	1.8
83.01331	2.0
83.04980	7.6
85.02907	96.9
86.03223	2.0
87.00834	39.0
87.04499	1.1
91.04004	1.1
91.05472	9.0
93.03416	12.7
93.07050	1.5
95.04974	6.8
95.22529	0.9
97.02895	40.4
99.04446	14.8
101.02396	2.8
103.03933	6.9
105.01874	40.1
105.07014	3.9
107.04967	2.8
107.08561	1.0
109.02884	66.4
111.04446	9.0
113.02384	2.8
114.85589	1.0
115.03907	2.8
115.05453	3.7
117.01870	2.6
117.07024	2.7
119.67120	1.0
121.06468	1.4
123.04443	7.3
125.01575	1.0
125.02327	5.3
127.03917	100.0
128.04269	2.4
128.06244	3.8
129.01814	6.2
129.05521	1.9
129.06979	3.4
131.04941	1.6
131.08577	2.8
134.00783	0.9
135.04393	1.4
137.05989	3.3
139.03902	5.2
141.05469	1.9
141.06956	1.8
142.07721	1.5
143.08528	1.0
145.04967	23.0
145.10149	1.4
147.02930	3.1
147.04382	2.7
147.06494	1.2
151.03897	8.0
153.01820	1.4
153.06979	2.2
154.07806	1.0
155.08574	1.2
159.02893	11.8
161.05901	1.3
163.03920	1.3
165.05476	3.8
169.04965	14.2
171.02841	5.3
172.83124	1.1
175.03961	1.9
181.04996	3.2
187.06035	9.2
189.03941	21.4
189.05443	1.9
193.04979	9.5
195.02818	1.5
201.12682	1.8
205.05063	1.4
211.06004	2.7
213.03925	20.7
215.05409	1.7
217.04861	2.5
229.07178	1.2
231.05008	36.6
233.06583	4.3
235.05972	3.6
249.06053	11.3
253.07146	4.3
255.05002	5.0
269.06631	1.3
273.06049	64.3
274.06458	3.4
285.06042	1.1
287.05493	1.6
297.06012	2.3
315.07169	9.0
321.05981	2.2
333.08215	2.7
339.07031	10.4
357.08188	9.2
425.07376	2.4
443.08240	7.9
455.44955	1.1
461.09317	11.8
479.10132	3.7
480.10947	1.2
517.11072	1.1
668.23804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.8
55.01874	34.1
55.05519	15.2
55.87518	2.0
57.03439	9.1
59.04984	3.4
61.02927	5.3
65.03939	4.6
67.05505	26.4
69.03436	9.4
69.07072	19.4
71.04996	20.3
71.30881	3.5
71.73430	2.3
73.02929	5.6
75.04492	3.3
79.05492	41.7
79.05960	3.4
81.03441	5.3
81.07058	78.9
83.01356	17.9
83.04979	38.3
83.08621	7.1
85.02905	22.8
85.06546	8.4
87.00830	3.2
87.04482	7.3
91.05464	29.9
91.05915	2.5
93.07042	76.9
95.04966	38.3
95.08611	40.4
97.02901	7.8
97.06543	41.5
97.07140	3.5
98.06898	2.9
99.04454	21.8
101.02380	8.3
101.06034	8.0
105.07030	67.7
105.23036	2.4
106.07343	2.6
107.04955	69.5
107.08588	37.9
109.02853	4.5
109.06514	31.2
109.10155	8.6
110.09725	2.3
111.00809	30.9
111.04462	2.6
111.08074	59.8
113.06023	3.4
115.03944	11.8
116.05002	2.8
117.07029	5.5
119.04958	4.2
119.08582	39.6
119.09338	3.6
121.06506	45.8
121.10120	6.9
123.04462	3.2
123.08080	13.6
123.11684	27.6
124.07612	4.1
125.02391	4.4
125.05999	14.7
127.03897	11.1
127.07565	8.9
128.06317	2.3
129.01854	16.6
129.05489	3.8
129.06999	5.9
131.08588	9.8
133.06505	5.3
133.10123	33.9
135.04430	4.5
135.08055	31.9
135.11731	3.2
136.07562	5.1
137.02315	3.7
137.05956	12.3
137.13217	3.5
138.09148	3.0
139.07541	28.1
140.19545	2.2
141.01837	2.5
141.22749	2.1
142.07794	7.4
143.03401	17.2
143.07056	10.0
143.08545	8.2
144.04497	3.4
145.04939	7.3
145.10094	14.7
147.08060	8.6
147.11688	100.0
148.12056	2.9
149.09645	5.0
149.13264	8.5
151.11172	16.2
153.01804	11.3
157.01302	3.8
157.05002	3.1
157.08615	8.2
157.10149	21.2
159.06580	4.8
159.11702	2.3
161.04446	7.8
161.05891	3.8
161.09702	5.2
161.13255	11.9
163.06027	2.9
163.11116	4.0
165.12746	45.2
166.08731	5.1
169.12254	54.9
171.02888	35.9
171.11700	16.6
172.03998	17.0
173.09642	3.6
173.13269	2.7
175.07722	2.5
175.11180	74.0
176.11551	2.9
181.10138	4.4
185.04507	4.1
189.03914	12.9
189.12755	27.5
190.05037	7.1
191.10712	2.6
191.14328	3.7
193.12242	86.7
194.12614	2.4
199.11182	17.5
204.06514	20.5
207.13873	11.2
211.13290	77.3
217.03397	4.1
217.12236	69.4
218.12651	3.7
229.14359	13.6
231.05000	70.5
232.05432	2.7
235.13275	78.1
245.06602	11.8
249.05981	3.3
253.14345	94.9
254.14700	4.7
263.07605	3.8
271.15405	13.2
273.81247	2.5
286.63629	2.3
287.05670	4.0
287.22159	4.5
297.12222	2.6
325.11777	11.8
327.10834	4.3
329.08569	4.7
331.10336	3.4
341.12021	5.4
347.09811	3.4
353.11328	7.1
357.14389	3.3
373.07248	5.5
381.15387	14.1
395.97137	2.5
399.16455	64.6
399.85962	2.6
400.16873	2.9
405.15344	4.6
413.17883	7.6
417.17609	22.0
419.07709	19.5
423.16504	66.0
424.16928	5.8
441.17560	88.3
442.17950	8.7
445.05444	8.0
455.19281	5.5
459.18793	11.0
487.17117	5.6
506.19077	9.9
538.21997	18.0
571.08765	64.2
629.20746	22.3
630.21002	3.1
647.21716	10.2
700.26685	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	732.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58106	0.2
57.03426	0.2
59.88015	0.2
61.02921	0.3
69.03423	0.5
70.06590	0.5
70.58103	0.3
72.08133	0.3
79.05486	0.5
79.83198	0.3
81.03410	0.6
84.08144	0.3
85.02902	1.9
86.09723	0.6
91.05475	1.4
97.02874	0.4
103.05479	0.6
105.07016	1.3
107.04964	0.4
115.05457	1.4
116.06207	0.3
117.07039	0.6
119.04945	0.5
127.03857	0.5
128.06233	0.8
129.07002	6.1
131.04903	1.3
131.08562	7.1
132.05721	0.4
133.06459	0.8
135.04419	0.4
137.05995	1.5
141.06982	5.0
143.04796	0.3
143.08571	0.5
144.05695	0.7
145.04944	0.3
145.06490	1.1
146.07228	0.6
147.04408	0.4
147.08035	0.3
149.05930	0.4
157.06488	6.0
158.07281	2.2
159.08055	5.5
160.05159	1.2
161.06000	1.5
161.09596	0.8
163.03882	1.1
163.07561	1.0
167.07011	3.5
168.77899	0.3
169.06491	2.3
169.07668	0.4
170.07210	1.0
173.06055	0.4
174.06761	11.3
175.07544	5.3
177.05487	0.8
186.06737	2.9
187.07498	0.4
188.08319	0.6
189.09108	22.2
190.09457	1.0
191.10664	2.1
192.07733	0.6
193.08636	3.5
201.09113	9.5
202.09454	0.5
207.06535	0.4
207.10144	0.9
207.76923	0.3
219.10161	100.0
220.10513	4.6
237.11215	1.8
293.07538	0.3
341.23331	0.3
355.11533	0.4
355.15372	0.7
373.12421	0.3
382.83243	0.3
404.97327	0.3
548.97418	0.3
662.21710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
69.03411	0.5
70.06599	0.6
72.08144	0.5
79.05494	0.4
84.20867	0.3
85.02912	2.0
86.09711	0.6
91.05474	1.1
96.05112	0.2
97.02912	0.7
103.05451	0.5
105.07031	1.0
107.04939	0.6
109.02883	0.3
115.05463	0.8
117.07030	0.5
119.04955	0.4
120.35545	0.2
121.06495	0.3
127.03896	0.4
128.06212	0.7
129.06993	5.7
131.04927	1.3
131.08566	5.7
132.05719	0.5
132.41611	0.3
133.06476	0.8
135.04410	0.8
137.05978	1.7
141.06992	3.9
143.05008	0.5
143.08592	0.4
144.05695	0.6
145.02884	0.3
145.04918	0.5
145.06490	0.9
146.07346	0.3
147.04393	0.6
147.08035	0.3
148.05072	0.3
149.05963	0.6
151.07518	0.4
157.06482	5.2
158.07283	2.3
159.08055	5.2
160.05206	1.1
161.05983	2.0
161.09619	0.4
163.03906	0.9
163.07521	0.7
167.07051	4.1
169.06477	2.5
169.07626	0.3
170.07236	1.0
171.08058	0.3
172.41679	0.3
173.05943	0.4
173.09576	0.4
174.06757	10.3
175.07555	5.0
176.07880	0.3
177.05476	0.7
180.08722	0.4
186.06737	2.8
186.08360	0.4
187.07547	0.8
188.08325	0.6
189.09105	22.4
190.09410	0.9
191.06927	0.4
191.10635	1.8
192.07817	1.0
193.08580	3.4
201.05481	0.4
201.09097	8.2
203.10550	0.3
207.06496	0.5
207.10156	0.8
211.09634	0.7
219.10159	100.0
220.10498	5.5
237.11255	1.1
242.62602	0.3
249.11137	0.3
267.50446	0.3
296.23438	0.2
325.10873	0.3
355.15253	0.8
373.16479	0.4
381.15024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01865	0.9
69.03423	2.0
69.07133	0.5
70.16261	1.1
70.16663	1.1
71.42437	0.4
76.99408	0.4
77.13400	0.4
79.05488	2.3
85.02916	3.3
86.09705	1.5
91.05482	3.4
93.07043	2.4
93.23829	0.4
95.04988	1.6
97.02900	1.3
97.06491	0.6
103.04884	0.5
103.05455	2.9
105.07037	2.6
107.04961	6.8
107.08559	0.7
109.02864	0.6
109.06554	0.5
111.04482	0.6
112.03985	0.7
115.05476	0.8
117.07055	0.8
119.04938	1.3
119.08571	0.7
120.08145	0.6
121.06496	3.3
121.10133	0.7
123.04427	1.1
124.05255	0.9
127.03924	0.9
128.06239	1.1
129.07002	4.3
131.04919	2.0
131.08568	1.8
133.02869	0.7
133.06516	1.1
135.04411	0.5
135.08044	1.4
137.05963	4.4
141.07053	0.4
145.04938	0.9
145.06485	1.2
146.07253	0.7
147.04434	0.9
147.08009	0.8
149.05936	1.6
149.09657	2.7
151.03925	0.7
151.07539	3.6
152.04732	1.0
153.05510	2.3
157.06502	5.0
159.08051	0.7
161.05998	7.9
161.09641	1.7
162.06401	0.5
163.03841	0.5
163.07515	5.8
165.07024	0.6
165.09122	1.8
166.06279	1.8
167.05577	0.9
167.07045	18.2
167.08415	0.6
173.05980	0.5
174.06764	2.8
175.07570	2.9
177.05420	0.7
177.09114	3.8
179.07059	0.7
179.08533	0.5
181.08594	19.7
182.07359	0.9
182.08994	0.7
187.07443	0.5
189.09108	16.7
190.09442	0.6
191.07071	1.7
191.10553	0.5
193.06683	0.9
193.08632	2.6
194.07263	0.6
195.08058	2.2
197.09659	2.0
203.10709	0.6
205.06448	0.5
207.10168	4.1
208.08769	0.5
211.07571	0.8
219.08047	1.4
219.10193	2.9
221.05928	0.7
221.09680	0.7
221.11720	1.0
222.06786	1.0
223.07472	1.3
223.11212	1.0
225.09148	3.9
226.08214	0.7
227.07027	1.0
229.12276	0.8
235.07545	1.1
236.08392	0.8
237.09120	0.5
239.06914	0.9
239.10780	0.6
240.07834	0.7
247.07500	0.9
251.07092	0.9
251.10660	2.2
253.08649	2.1
254.09561	0.7
255.06505	1.0
255.10191	0.9
257.09174	0.7
257.11627	3.8
267.09973	0.6
269.07983	0.5
270.08798	0.9
279.10168	1.5
281.08066	0.5
283.09692	3.0
283.13278	2.6
285.11203	5.6
286.11563	0.9
297.11395	0.6
299.09155	0.8
299.12735	0.6
300.62183	0.5
311.12823	1.5
312.38547	0.6
314.11493	0.6
315.12241	4.1
317.13837	5.3
331.15500	1.0
341.13544	0.6
343.15405	9.0
344.15689	0.7
361.16455	100.0
362.16803	9.9
373.16513	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	733.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.2
55.01866	0.3
61.38526	0.1
63.10983	0.1
67.01865	1.1
67.05482	0.2
68.99789	2.5
69.03422	0.6
69.12899	0.7
69.13302	0.3
79.05510	0.2
81.03413	0.9
81.07047	0.3
85.02891	0.9
89.03907	0.2
91.05499	0.3
93.07027	0.4
95.04972	0.1
95.08614	0.2
97.02889	0.5
97.06534	0.2
101.21841	0.1
103.05490	0.1
105.07047	0.3
109.02872	0.4
109.06478	0.1
111.00820	0.4
111.04449	0.3
117.03421	0.2
119.08575	0.2
121.06502	0.2
121.10132	0.1
124.01621	0.2
125.02355	0.2
127.03922	0.5
129.01849	0.2
131.04948	0.2
131.87625	0.1
133.10036	0.1
133.24031	0.1
135.04456	0.9
137.02345	12.5
137.03462	1.5
137.05939	0.3
138.02657	0.3
138.07303	0.1
138.29161	0.1
145.04977	0.2
145.09995	0.1
147.04456	0.5
147.11713	0.3
153.01817	16.7
154.02211	0.4
155.04871	0.2
161.02330	1.0
161.06021	0.3
167.06935	0.1
171.02939	0.9
171.04327	0.3
175.04002	0.2
175.11176	0.2
179.03416	0.4
181.04771	0.1
183.04463	0.3
185.05972	0.2
187.03964	0.5
189.05418	0.2
192.04184	0.1
195.02940	0.2
199.03984	0.2
201.05466	0.3
203.03491	0.4
211.03923	1.3
211.13405	0.2
212.04805	0.1
213.05452	1.8
215.03452	0.4
217.04916	0.3
225.01895	0.1
225.05537	0.2
227.07101	0.1
229.04994	1.3
230.05713	0.2
230.87498	0.1
237.01852	0.2
237.05470	0.7
238.05977	0.2
239.03378	2.8
240.03833	0.2
241.04955	1.0
243.02953	0.6
253.04968	0.7
253.14265	0.2
255.02858	0.2
255.06560	0.2
257.04404	1.8
258.05176	1.1
259.06058	0.2
265.01282	0.2
265.05081	0.3
266.05579	0.2
267.02838	2.3
269.00989	0.2
269.04544	0.2
271.02209	0.2
277.04865	0.2
279.02921	0.8
281.04379	1.5
282.04810	0.2
283.06006	0.6
285.03903	4.4
286.04684	2.5
287.01874	0.5
287.05359	3.0
291.06482	0.2
293.00787	0.6
293.04459	0.4
295.06021	0.5
297.03922	0.9
299.05591	0.5
300.06232	0.2
305.04547	0.2
307.02347	0.4
307.05872	0.2
309.04095	0.7
311.01773	1.6
312.02203	0.2
313.03470	0.2
319.06091	0.4
321.03986	0.6
321.07510	0.2
323.05420	2.0
325.03656	0.3
327.04953	1.1
327.13156	0.3
331.06061	0.2
335.01859	2.5
335.05475	0.3
345.03848	0.2
345.07556	0.3
347.05515	0.5
347.09189	0.4
349.03369	0.4
349.07233	0.4
351.04965	1.6
353.02908	1.2
359.05231	0.2
361.06906	0.2
363.04926	0.4
363.08823	0.5
371.05682	0.3
373.03079	0.3
373.07275	0.3
375.05017	0.4
376.05511	0.2
377.02524	1.1
377.07062	0.8
389.06763	0.2
391.08240	0.5
392.05228	0.2
393.05966	2.9
393.10696	0.2
394.06366	0.2
395.04022	0.3
399.04932	0.2
401.07043	0.2
417.06174	0.6
418.06741	0.4
419.03470	3.8
419.07742	9.7
420.08716	0.9
421.05573	0.2
427.04495	0.2
429.17471	0.4
435.07150	1.4
437.05078	0.9
439.16461	0.2
445.05435	2.2
446.06357	0.2
487.06488	1.2
511.06485	0.2
515.09827	0.5
529.07562	0.9
530.08472	0.2
537.43341	0.2
553.07068	0.2
571.08655	100.0
572.08984	12.0
572.18207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.0
53.03935	1.7
54.72739	0.6
55.01873	9.1
57.03423	0.7
61.02921	1.5
63.61882	0.5
65.03932	2.0
68.99789	0.9
69.03429	3.3
70.06569	0.8
70.56191	1.2
70.56522	0.9
71.04996	2.4
72.08131	1.4
73.21378	0.7
77.03922	0.9
78.04713	0.8
79.05494	10.9
81.03407	1.0
83.01244	0.5
83.04984	2.2
84.08132	0.9
85.02909	9.7
86.09697	0.7
89.03908	1.1
91.04958	1.1
91.05483	13.7
93.03390	1.2
93.07042	1.3
95.04964	4.0
97.02876	2.4
97.06511	1.4
103.05468	36.3
105.03420	1.0
105.06393	0.7
105.07034	4.4
106.04182	11.6
107.04958	16.8
109.02869	2.0
111.04453	1.4
111.08080	1.0
115.05465	2.0
117.03390	3.0
118.04137	0.8
119.04950	16.8
121.06516	7.7
122.03647	1.2
123.04413	1.3
125.05994	6.1
127.03928	1.6
131.04927	100.0
132.05280	3.9
133.02829	7.5
133.06494	11.4
134.03633	2.0
135.04417	22.6
137.05969	16.0
139.03854	0.7
139.07524	3.8
141.05399	0.8
145.02892	1.1
145.04973	1.6
145.06422	1.1
147.04411	52.1
148.04817	1.4
149.05977	26.4
150.06648	1.2
151.07533	2.2
152.04668	1.6
153.05441	4.3
159.04416	0.8
160.05019	0.7
161.05977	8.9
162.06693	1.8
163.03902	11.9
163.07544	72.4
164.07904	2.5
165.05499	4.0
167.07045	24.9
168.07367	0.8
171.04460	0.8
173.05814	0.7
175.07574	2.3
177.05467	68.5
178.05832	2.4
179.07028	42.1
180.07355	2.1
181.08533	0.7
187.07515	1.1
189.05672	0.7
191.07059	3.5
193.43575	0.6
195.06531	32.8
196.06819	1.4
199.02406	0.6
201.05467	1.0
203.07048	2.1
215.07072	1.5
221.08113	1.1
229.08559	1.1
233.08133	1.7
305.10141	0.9
307.09756	1.6
325.10510	1.0
327.12354	5.7
328.12076	0.7
330.03955	0.6
334.83838	0.6
339.12323	5.1
345.01880	0.6
357.13254	5.2
375.13910	0.7
425.13483	0.8
522.19720	0.7
535.05890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01875	7.3
61.02905	1.6
65.03935	2.2
67.00018	0.7
67.37255	0.7
68.99759	0.8
69.03423	3.3
70.06589	1.4
70.82526	1.4
71.04988	2.8
72.08148	1.0
77.91139	0.6
78.04702	1.5
79.05072	0.8
79.05495	9.5
81.03412	2.3
81.07040	1.2
83.04971	1.8
85.02913	8.8
86.09689	1.4
89.03896	1.7
91.05479	15.1
93.03397	2.0
93.07075	0.8
95.04969	4.1
97.02904	3.0
99.93487	0.7
103.05470	33.7
104.05780	1.4
105.03400	0.8
105.07018	4.1
106.04178	11.2
107.04960	15.4
109.02843	1.4
111.04444	2.2
115.05508	1.2
117.03391	2.7
117.07004	0.8
118.04160	1.2
119.04952	16.7
121.06496	7.4
125.05997	6.2
127.03914	1.8
131.04929	100.0
132.05254	2.9
133.02847	6.1
133.06500	11.5
134.03629	2.3
135.04416	23.9
137.05988	19.0
139.07524	4.1
141.05502	0.9
142.59178	0.8
143.04984	0.7
145.02800	1.6
145.04926	2.3
146.03575	0.8
147.04410	50.8
148.04831	2.0
149.05984	26.8
151.07552	1.4
151.36368	0.7
152.04655	2.1
153.05458	3.0
154.48872	0.7
157.06459	1.0
159.11331	0.7
161.05991	11.2
162.06693	2.6
163.03903	11.8
163.07542	71.7
164.07899	2.1
165.05490	2.2
167.05591	1.1
167.07034	23.0
175.07567	1.1
177.05475	67.4
178.05853	2.7
179.07033	42.6
180.07343	1.7
189.05569	0.8
189.08949	0.8
191.07037	2.6
195.06531	32.7
196.06926	1.3
203.07011	2.3
215.07033	2.0
229.08717	1.0
233.08052	1.4
275.09134	0.8
307.09567	2.1
315.76483	0.8
323.11063	0.7
325.11011	1.0
327.12234	4.9
339.12302	5.3
357.13300	5.1
455.44489	0.9
650.11340	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.01873	9.3
57.03432	1.0
61.02929	1.2
65.03937	2.1
65.04273	0.5
67.78181	0.5
69.03432	2.1
70.06583	1.5
71.04995	0.9
71.24879	0.7
77.03934	1.5
78.04712	1.4
79.05499	11.1
79.82232	0.5
81.03416	2.3
81.07067	0.9
83.04989	1.7
84.04453	0.6
84.08152	0.6
85.02437	0.6
85.02913	10.8
85.29374	0.5
89.03918	1.5
91.05482	13.5
93.03404	0.9
93.07051	1.2
95.04974	4.2
95.32926	0.6
97.02902	3.2
97.06508	0.9
103.05474	37.7
104.05792	1.8
105.03369	1.2
105.04489	1.4
105.07026	4.0
106.04185	10.5
106.21942	0.5
107.04282	0.9
107.04965	17.4
109.02888	1.9
111.04463	1.2
111.08073	0.9
115.03973	0.6
115.05464	1.8
117.03374	3.0
118.04175	2.0
119.04949	15.8
120.05295	0.7
121.06512	8.9
122.06831	0.7
123.04454	1.5
125.05979	5.1
127.03913	1.9
131.04933	100.0
132.05231	3.4
133.02872	5.7
133.06493	10.4
134.03636	1.9
135.04422	22.2
136.04701	0.8
137.05981	17.1
138.06334	0.7
139.03966	1.1
139.07579	4.4
141.05493	0.8
145.02859	1.3
145.04971	1.4
145.06544	0.7
146.03694	0.6
147.04416	49.1
148.04790	1.2
149.05986	25.2
150.06369	1.3
151.03935	0.9
151.07550	2.1
152.04697	1.7
153.05449	4.0
159.04460	0.9
159.08032	0.9
161.05977	10.6
162.06766	2.1
163.03925	10.2
163.07549	66.8
164.04434	0.7
164.07880	3.1
165.05472	2.4
167.07048	24.5
173.05981	0.6
175.07538	1.9
175.43945	0.6
177.05478	68.0
178.05766	3.8
179.07039	37.8
180.07445	1.0
185.06068	0.7
187.07579	1.7
189.05470	0.8
189.09134	0.7
191.07050	3.4
193.08635	1.0
195.06543	32.4
197.08058	1.0
201.05592	0.6
203.07019	2.1
215.07043	1.6
221.07973	0.6
233.08109	2.4
234.25127	0.6
245.08235	0.7
247.07515	0.9
304.04141	0.6
305.10263	0.7
307.09631	1.4
319.18152	0.6
323.11176	0.6
325.10815	1.2
327.12341	4.6
338.41171	0.6
339.12277	5.0
357.13223	4.5
375.14035	0.6
378.98288	0.6
747.50708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
53.33381	0.8
55.01870	3.9
57.03426	1.1
57.05865	1.1
57.35836	0.8
58.10656	0.8
65.90739	0.8
66.04725	0.8
69.03421	1.5
69.55277	3.0
69.55653	1.9
70.06589	3.7
73.29839	0.8
79.05502	6.5
79.81598	0.9
81.03402	1.6
81.07069	1.3
84.08143	1.0
85.02890	3.4
86.09678	1.3
91.05483	14.8
93.07052	1.8
94.04185	1.6
94.41830	1.0
95.04984	5.9
97.02911	1.0
98.23374	1.5
99.66825	0.8
102.12769	1.1
103.05470	11.0
105.03388	2.2
105.07027	45.8
106.07402	1.7
107.04954	9.0
108.21598	0.8
109.06508	1.0
111.04407	0.9
115.05448	14.2
116.06261	1.5
117.07011	2.1
118.04174	3.9
119.04944	10.6
119.08568	1.8
121.06517	4.7
122.03645	5.1
123.04450	2.4
123.08073	1.1
127.03987	1.0
128.06223	3.9
129.06987	5.4
131.04932	11.4
131.08514	2.1
132.05664	1.6
133.02872	3.5
133.06491	42.4
134.03696	1.4
134.06836	1.6
135.04410	1.8
135.08055	1.6
137.05971	78.3
138.06311	2.4
141.07039	1.1
143.05000	2.0
143.06055	3.6
144.05721	4.4
145.06479	4.3
146.07291	1.0
147.04413	12.7
147.08047	4.5
149.05960	8.9
151.03943	2.4
151.07574	3.6
153.05396	1.4
155.04871	1.0
156.05695	1.8
157.06526	1.9
159.04370	1.1
159.08052	16.7
160.05223	2.8
161.05980	100.0
162.06682	7.2
163.07549	3.6
164.24770	0.9
165.06975	1.8
167.07028	5.2
169.06374	1.1
169.12912	1.0
170.07341	1.2
172.05191	7.8
173.05830	1.1
174.06743	4.6
175.07532	21.0
175.08949	1.6
177.05501	2.2
178.07803	2.4
178.37350	0.9
179.07028	5.5
179.08504	1.8
181.06496	1.5
183.08009	1.1
184.05264	2.6
185.05974	3.3
186.06784	3.0
187.07542	54.4
188.07961	2.9
189.05566	1.2
189.07135	1.4
189.09131	2.5
190.06203	1.6
190.07809	2.1
191.07077	4.4
191.08585	4.0
193.08609	48.6
194.07359	2.2
194.08971	2.0
195.08047	2.7
197.05995	1.1
199.07541	21.4
200.07822	1.0
202.07790	3.1
203.08524	5.5
205.06494	2.6
205.08548	14.3
206.07217	5.2
207.08089	2.7
208.08636	1.2
209.09616	1.3
210.06708	1.6
211.07506	1.6
213.09062	1.2
215.08572	2.2
216.07773	7.7
217.06479	3.8
217.08543	23.6
218.07280	3.7
219.08086	9.6
219.10037	1.9
220.08789	2.9
221.05971	2.7
221.09587	4.9
222.06801	1.4
222.10025	1.1
223.07486	2.2
224.08292	1.0
225.09091	2.4
231.07996	4.6
233.05949	2.1
233.09604	2.2
234.06755	4.8
235.07509	6.1
235.09712	3.5
236.08400	1.4
237.09122	2.6
238.06319	1.1
238.09875	1.0
239.10684	1.6
241.08556	1.1
243.08011	1.5
243.10246	2.1
245.05977	3.4
246.06801	2.2
247.07581	8.7
248.08330	3.3
249.09061	12.8
249.11334	1.4
250.09874	2.8
251.07050	2.5
251.10654	6.5
253.08513	2.5
253.12103	0.9
259.07422	1.7
260.08447	1.5
261.09091	4.9
262.06293	2.3
263.07031	2.0
263.10715	2.4
264.07825	2.0
265.08612	5.2
266.09335	2.5
267.10162	3.2
273.11304	1.9
274.06396	1.0
275.10739	1.6
276.07852	1.4
277.08600	13.7
278.09189	3.3
279.07104	1.4
279.10077	5.9
281.11746	4.5
283.09509	2.0
285.11102	5.8
289.08560	2.6
291.10175	4.6
293.11685	3.8
294.08902	1.4
295.09674	4.4
296.10092	1.1
297.11264	6.9
303.10056	1.7
307.09619	1.9
308.10233	1.5
309.11188	52.0
310.11688	6.1
311.12720	14.0
315.12387	5.0
321.11154	14.5
322.11865	2.8
323.12885	3.8
327.12244	37.8
328.12570	3.0
329.14020	1.4
335.12680	3.6
339.12234	2.4
340.13019	3.6
341.13803	2.0
347.12759	2.8
365.13934	1.8
371.14517	1.1
459.17920	5.9
469.16321	1.9
471.17871	4.3
477.18768	1.2
489.19016	6.1
501.19058	3.0
507.19992	3.3
519.20038	3.8
566.11975	1.1
734.23572	4.0
735.21625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
65.42968	0.5
69.03420	1.3
70.06573	1.5
71.31760	0.7
72.08170	0.9
78.04694	1.0
79.05486	3.7
81.03423	0.9
81.07060	0.8
85.02899	3.5
86.09702	1.1
91.03905	0.7
91.05474	2.8
94.04186	2.2
97.02887	1.3
98.47513	0.6
103.05470	9.0
105.07042	4.5
106.04201	0.9
107.04950	5.8
109.02874	0.5
109.06514	1.0
115.05448	2.2
117.06980	0.9
119.04922	1.2
121.06488	1.6
122.03653	5.9
123.04451	3.1
123.08057	1.0
124.05215	1.6
127.03907	1.1
128.06197	0.9
129.06999	1.0
131.04921	15.6
131.08557	0.6
132.05714	0.6
133.06479	6.3
135.04395	1.9
135.08043	5.0
136.05182	0.6
137.05974	100.0
138.06281	3.3
141.06956	0.8
143.04935	1.1
143.08591	1.3
144.05695	0.9
145.04897	1.0
145.06491	2.0
147.04399	2.3
147.08025	1.4
149.05988	1.5
151.07549	8.5
152.04674	1.1
153.05392	0.9
154.18710	0.5
157.06442	1.2
158.07213	0.6
159.08040	0.8
160.05185	2.0
161.05995	5.1
162.06421	0.7
163.03899	2.3
163.07536	36.7
164.04285	1.2
164.07898	1.5
165.09082	1.0
167.07039	61.0
168.07396	2.2
171.08055	2.0
173.05994	0.6
173.09621	1.6
174.06778	0.8
175.07538	6.6
177.05418	1.3
177.09143	1.5
179.07133	3.5
181.08580	1.5
187.07541	3.2
188.08200	0.9
189.09041	3.2
191.06943	0.9
192.07793	2.5
193.08600	6.0
194.08937	1.6
201.05443	0.5
201.09102	1.8
203.10660	4.2
207.10149	1.7
219.10190	2.2
221.11804	1.2
233.09590	1.8
233.11749	1.8
251.12836	0.8
261.09143	1.5
265.12238	1.2
293.11731	2.2
325.10443	0.9
325.14343	13.7
326.14691	1.0
357.16925	32.3
358.17365	2.9
375.18002	28.7
376.18509	2.8
572.18359	0.6
734.21490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
53.59306	0.4
55.01876	0.5
66.04720	0.7
69.03406	0.9
70.06586	1.2
70.20670	0.4
70.20998	1.0
78.04716	0.6
79.05499	2.1
81.03407	0.5
81.07048	0.5
85.02911	3.7
86.09709	0.5
89.03913	0.8
91.05473	2.9
94.04191	2.2
97.02914	0.9
103.05466	7.1
105.03371	0.5
105.07033	4.1
106.04203	0.8
107.04953	5.4
109.06529	1.2
115.05463	1.7
117.03394	0.9
117.07024	0.8
119.04975	0.8
121.06509	1.4
122.03659	6.1
123.04433	1.8
123.08081	0.5
124.05213	1.9
128.06221	1.1
129.06970	0.8
131.04927	14.1
131.08568	1.0
133.06500	5.0
134.06000	1.1
135.08038	4.8
137.05978	100.0
138.06294	2.2
140.07083	0.8
141.06963	0.5
143.04919	0.9
143.08530	1.9
145.02852	3.1
145.06448	2.2
147.04410	1.2
147.08067	1.5
148.07544	0.5
149.05984	1.0
151.03937	0.5
151.07535	8.6
152.04698	1.6
152.07066	3.0
157.06482	1.2
158.07257	1.0
159.08044	1.2
160.05176	1.0
161.05995	2.8
163.07541	32.9
164.07892	1.6
165.09114	0.9
166.06253	0.5
167.07042	60.4
168.07422	2.1
171.07990	1.8
173.05978	0.9
173.09618	0.9
174.06779	1.4
175.07561	6.1
176.07051	0.6
177.05467	6.1
177.09071	0.9
178.06061	0.5
179.07034	1.6
181.08607	1.4
187.07507	3.1
188.08270	1.0
189.09094	3.1
193.08614	4.3
194.08142	0.9
201.09079	1.6
202.05054	0.7
203.10674	4.7
205.10196	0.6
207.10098	1.1
215.08545	0.5
219.10150	2.8
220.06062	4.3
221.11682	1.7
233.09590	1.6
233.11783	2.0
234.99026	0.6
251.12724	1.2
260.09030	0.8
261.09113	1.1
265.12204	1.2
275.02011	0.4
279.10339	0.4
293.11737	2.1
325.14343	11.6
326.14597	0.7
350.12259	1.2
357.16949	30.9
358.17432	2.7
375.18024	34.7
376.18628	2.1
378.11713	0.8
393.18967	0.8
396.12738	0.7
530.49847	0.4
531.47400	0.4
538.63324	0.4
547.84143	0.4
554.16187	1.2
572.17688	6.1
573.17627	1.1
734.23083	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40722	2.1
55.01891	2.4
55.05521	6.7
57.03445	3.0
57.07093	2.8
61.02934	2.7
65.03958	2.2
67.05515	9.0
69.03445	12.7
69.07089	9.0
71.05001	3.7
71.30620	2.5
79.05514	5.6
81.03426	7.6
81.07061	28.9
83.08623	3.0
85.02917	23.2
87.00848	7.4
91.05511	11.3
93.07037	19.0
95.04969	2.5
95.08613	22.3
97.02900	5.3
97.10174	2.9
99.04475	3.0
103.05513	2.6
105.01872	13.2
105.07027	14.7
107.08602	21.7
109.02914	7.9
109.10161	15.8
109.98360	2.0
116.17312	2.2
117.07030	4.4
119.04942	3.6
119.08611	16.7
120.43073	2.1
121.10149	18.2
123.11737	14.1
127.03939	14.8
131.08603	8.3
131.38176	2.2
133.10120	12.4
135.11729	10.7
137.05971	28.2
138.03036	2.5
145.05013	3.3
145.10138	5.6
147.11710	14.8
149.13264	15.6
157.71196	2.3
159.11728	9.1
161.13283	8.8
163.14885	4.6
173.13313	4.9
175.07596	9.4
175.14859	11.2
187.14827	5.6
189.16367	19.7
201.16426	5.2
205.08644	5.4
215.18042	9.6
231.05017	8.1
249.06131	5.3
271.24234	100.0
272.24585	4.9
287.05646	7.2
331.96808	2.5
572.08917	4.3
734.35358	4.4
734.42999	2.3
735.35840	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	736.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71928	0.3
53.96249	0.3
56.60535	0.3
67.05503	0.5
68.20721	0.3
69.11847	1.6
69.12264	0.8
75.47612	0.3
79.41019	0.3
93.36409	0.3
95.01077	0.3
95.08609	0.3
119.08604	0.3
125.90734	0.3
162.11888	0.3
165.89075	0.3
185.04259	1.0
203.05321	0.6
320.25653	1.6
339.77319	0.3
454.09622	0.3
482.30804	2.8
552.35449	0.3
574.48260	0.4
656.14233	0.3
699.35211	0.4
736.53314	100.0
737.53662	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44598	0.2
60.74804	0.3
69.12078	2.0
90.07851	0.2
95.01098	0.3
109.68375	0.3
113.02161	0.6
185.04286	0.8
203.05400	0.5
320.25613	1.2
482.30832	2.7
483.31183	0.3
552.35309	0.4
556.47430	0.5
574.48157	0.3
711.82861	0.3
736.53320	100.0
737.53693	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	737.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06609	3.6
71.31824	2.2
79.01618	2.2
79.05509	1.5
86.09708	1.7
91.05521	1.7
95.01068	1.7
95.04990	1.8
105.07043	2.6
129.01549	1.4
137.06033	1.9
141.05229	1.8
149.05981	2.2
155.08200	1.6
169.04810	3.7
183.02719	2.8
185.04272	2.1
199.05836	1.6
208.06793	1.7
227.05399	3.8
243.04839	7.2
245.06425	3.7
271.04205	2.1
287.07602	11.7
387.09128	2.3
389.10730	4.8
405.10107	8.2
407.11813	6.1
431.11633	4.7
445.18353	2.4
447.11011	16.1
449.12830	14.9
475.11264	3.5
489.17197	2.6
491.10291	5.1
493.11636	8.5
519.09607	4.0
524.62585	1.6
535.09210	2.0
537.11017	6.0
607.23523	11.0
649.24652	100.0
650.25085	11.6
651.22540	13.5
693.23694	76.3
693.33081	1.9
694.24084	8.2
737.22638	85.1
738.23022	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	739.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06374	0.5
57.78867	0.6
65.58600	0.6
81.07055	0.8
83.87195	0.5
84.25407	0.5
91.05481	0.9
105.07016	0.8
107.08575	0.7
108.23283	0.5
109.10074	0.7
119.08541	0.8
121.17838	0.7
124.87230	0.6
131.12424	0.6
134.88214	0.6
137.05930	1.3
146.88603	0.6
187.03708	1.5
201.05278	1.2
202.06010	100.0
203.06342	3.6
220.07193	0.9
243.08672	1.6
266.52539	0.6
320.93558	0.5
351.11969	1.3
365.09888	2.1
379.11505	1.2
380.12299	35.2
381.12933	9.1
399.14600	0.7
421.14819	1.4
454.52618	0.8
559.19183	0.9
636.43616	0.6
739.27075	19.6
739.38641	2.0
740.27264	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	741.2233
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.28262	0.1
61.46326	0.1
66.79306	0.1
67.01839	0.3
67.07518	0.1
67.34531	0.1
68.99789	0.2
69.23837	0.1
69.24237	0.5
70.06566	0.3
71.05012	0.5
71.23376	0.1
85.02435	0.1
85.02904	1.0
86.09683	0.1
91.05473	0.1
97.97390	0.1
119.04947	1.0
121.02832	0.3
129.01813	0.1
129.05452	0.3
136.07520	0.1
137.05861	0.1
145.02849	0.5
153.01819	2.9
163.03893	0.3
167.06993	0.3
171.02864	0.3
174.65733	0.1
185.05956	0.1
211.22815	0.1
225.05310	0.3
228.39096	0.1
229.04987	0.2
229.91740	0.1
243.06528	0.2
247.06070	0.1
254.20303	0.1
271.05994	100.0
272.06342	6.1
341.87909	0.1
433.11282	18.6
434.11630	1.8
586.80084	0.1
595.16180	0.3
741.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28262	0.1
61.46326	0.1
66.79306	0.1
67.01839	0.3
67.07518	0.1
67.34531	0.1
68.99789	0.2
69.23837	0.1
69.24237	0.5
70.06566	0.3
71.05012	0.5
71.23376	0.1
85.02435	0.1
85.02904	1.0
86.09683	0.1
91.05473	0.1
97.97390	0.1
119.04947	1.0
121.02832	0.3
129.01813	0.1
129.05452	0.3
136.07520	0.1
137.05861	0.1
145.02849	0.5
153.01819	2.9
163.03893	0.3
167.06993	0.3
171.02864	0.3
174.65733	0.1
185.05956	0.1
211.22815	0.1
225.05310	0.3
228.39096	0.1
229.04987	0.2
229.91740	0.1
243.06528	0.2
247.06070	0.1
254.20303	0.1
271.05994	100.0
272.06342	6.1
341.87909	0.1
433.11282	18.6
434.11630	1.8
586.80084	0.1
595.16180	0.3
741.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.223
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01852	0.2
55.05499	0.1
57.03434	0.8
65.03952	0.1
67.01853	0.5
67.05464	0.1
68.99792	0.6
69.03426	0.6
69.72014	0.1
70.06567	0.5
71.01355	0.1
71.04994	4.4
72.18555	0.1
72.69766	0.1
73.02905	0.2
75.04482	0.3
81.03399	0.3
83.04984	0.6
84.17322	0.1
85.02901	8.1
86.03239	0.2
86.09691	0.3
87.04460	0.3
91.05492	0.3
95.04947	0.3
97.02872	0.7
99.04440	0.2
101.50643	0.1
103.15287	0.1
107.04974	0.1
109.02858	0.4
111.04440	0.3
119.04958	1.3
121.02882	0.8
127.03883	0.6
129.01781	0.2
129.05478	1.8
131.04936	0.2
135.04356	0.7
137.02301	0.3
137.94365	0.1
145.02856	0.7
145.04955	0.5
147.06535	0.7
151.03902	0.1
153.01820	5.8
154.02180	0.1
161.02321	0.2
161.05972	0.2
163.03920	0.4
167.07056	0.4
171.02859	0.8
177.05449	0.3
179.03300	0.3
181.04880	0.1
203.07077	0.2
219.06413	0.2
225.05386	0.2
229.04979	0.2
241.04973	0.2
243.06454	0.2
269.04337	0.2
271.05991	100.0
272.06345	6.5
287.05478	54.8
288.05817	3.7
329.06320	0.1
337.07352	0.2
387.97079	0.1
433.11276	1.3
434.11542	0.2
449.10663	0.8
579.17224	1.9
580.17108	0.3
595.16467	2.3
596.17322	0.3
628.08221	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	743.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69809	0.7
60.18495	0.6
60.33154	0.7
69.03434	0.8
69.18231	4.2
69.18549	1.1
70.06598	2.6
72.08164	1.8
74.34795	0.6
79.05503	1.3
81.03378	0.6
81.07071	0.7
84.08151	0.9
85.02908	1.4
85.82962	0.6
86.09714	1.4
91.05529	1.3
97.02885	0.6
99.04478	0.6
103.05463	0.7
105.07027	1.1
107.04900	0.6
111.04256	1.4
117.03367	0.8
123.04463	1.1
127.03905	1.3
129.10281	1.8
133.06479	0.9
137.06027	1.4
145.02853	1.5
149.06047	2.0
157.04767	0.8
158.05602	1.0
159.04181	39.2
160.04611	0.7
161.06042	2.0
163.07552	0.9
167.07047	14.8
167.08350	1.0
169.04929	0.8
175.03671	3.0
175.07262	0.6
177.05429	3.8
183.32649	0.8
185.04256	2.1
193.08731	0.9
201.05630	0.7
205.08612	1.2
207.06635	1.7
287.05588	2.3
322.10135	3.5
325.10818	0.8
367.57080	0.7
369.13303	1.0
379.13940	1.2
384.15570	2.5
385.16437	2.2
388.58542	0.7
393.15552	1.5
397.16354	1.8
531.18616	1.0
546.20154	0.9
550.63892	0.7
581.23584	10.2
582.23682	0.8
743.28833	100.0
744.29224	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	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
54.77895	0.5
55.01867	0.6
55.05507	1.7
55.98231	0.4
57.03438	2.1
61.02935	5.5
65.03960	0.4
67.05505	5.2
69.03434	3.3
69.07068	0.9
71.01355	0.5
71.05007	0.6
73.02921	4.3
79.05496	5.6
81.03421	2.7
81.07067	5.8
83.04998	0.9
83.08626	0.7
85.02910	6.1
86.12904	0.5
91.03963	2.4
91.05500	3.4
93.07050	4.5
95.04981	0.7
95.08611	3.6
97.02892	4.5
97.10168	0.5
99.04459	0.7
101.02396	1.8
105.07065	2.1
107.08617	1.6
109.02911	1.4
109.10141	2.3
110.50684	0.5
117.07006	0.6
119.08610	2.2
121.10187	1.6
123.08033	0.5
123.11746	0.7
127.03944	1.3
131.08566	1.1
133.10165	0.9
135.11742	0.8
143.08591	0.6
145.10188	1.0
146.58405	0.4
147.11717	1.5
149.13205	0.5
161.13177	0.5
166.18071	0.5
168.51511	0.5
171.11771	0.7
243.08461	2.1
247.13211	1.2
408.84314	0.5
465.21063	4.5
519.29370	7.9
520.29089	1.1
743.43372	100.0
744.43738	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
54.85350	1.7
55.01868	11.2
55.05507	9.1
57.03440	6.1
61.02921	2.1
65.03931	2.2
67.05502	14.3
69.03440	7.5
69.07071	16.6
69.39348	10.6
71.04992	5.8
72.08147	1.9
73.02921	5.5
79.05490	19.7
81.03436	2.2
81.07056	47.0
83.01333	1.9
83.04977	25.1
83.08636	6.4
84.99264	3.4
85.02908	14.6
85.06546	5.6
91.05479	16.7
93.07047	49.2
93.07630	3.2
94.07352	1.9
95.01324	25.1
95.01866	2.3
95.04972	22.1
95.08028	2.7
95.08611	26.4
95.09229	2.2
97.02920	5.0
97.06532	35.7
98.23310	3.2
99.04452	11.4
101.02393	9.2
105.07024	47.5
107.04961	3.8
107.08595	28.8
109.02893	1.8
109.06515	28.9
109.10173	6.5
111.04459	3.0
111.08086	38.1
113.02354	7.5
113.06030	4.0
115.03959	3.0
115.07616	1.9
117.07036	6.1
119.03449	2.0
119.04937	3.4
119.08578	29.0
121.06506	41.5
121.10136	8.4
122.06821	2.4
123.04466	2.6
123.08078	12.2
123.11718	15.8
125.05982	12.1
127.03915	2.4
127.07539	9.0
129.01852	5.5
129.07011	3.7
131.08594	6.3
133.04955	2.2
133.06512	4.4
133.10135	30.8
135.04405	2.2
135.08064	18.3
136.08369	2.1
137.06003	11.8
137.09642	1.7
137.13277	2.0
139.07559	16.0
141.01833	35.3
141.05472	2.9
142.07790	3.3
143.03439	2.3
143.08580	6.5
145.10086	7.9
147.02847	3.5
147.08032	6.9
147.11684	77.5
148.11980	3.0
149.09621	3.8
149.13292	5.5
151.11180	13.7
155.07071	1.9
156.09320	4.0
157.08801	2.5
157.10094	16.2
159.02948	1.9
159.06537	5.0
159.07990	1.9
160.08876	1.9
161.04459	64.6
161.05803	2.1
161.13254	7.8
163.11201	3.8
165.12756	33.1
167.06987	1.9
169.12245	38.9
171.11708	11.2
173.09656	4.4
175.11177	73.0
176.11598	3.5
177.03947	8.3
177.05400	2.3
181.10152	3.7
187.02318	1.9
189.12733	24.6
193.12248	64.5
194.12608	4.0
199.11220	18.6
201.03938	100.0
202.04401	2.8
202.25041	1.7
207.13849	4.7
211.13287	42.2
211.15160	2.8
212.13719	1.7
217.12234	44.3
217.14180	2.9
218.12466	2.4
229.14326	2.3
235.13284	34.2
242.19858	1.7
243.08795	3.2
253.14365	25.7
254.14905	2.3
257.03223	1.9
257.10315	2.1
259.08151	2.3
271.15494	2.5
277.27606	1.7
293.13983	2.3
301.09222	2.6
305.70178	1.6
311.14758	15.0
312.15213	1.7
325.16531	2.3
329.15884	37.0
330.16205	2.4
335.14890	6.1
351.14386	5.5
353.15927	73.7
354.16336	6.5
363.09216	6.6
369.15417	41.2
370.15924	3.9
371.12613	2.6
371.16946	19.7
372.17432	3.1
375.14346	3.9
387.16446	17.5
388.16434	2.1
393.15488	23.5
394.15479	2.2
411.16479	37.9
412.17038	3.1
429.18021	2.5
511.18295	13.6
512.18567	2.6
525.58655	1.7
528.00299	1.8
529.19128	30.2
530.19220	3.9
547.19788	6.1
549.19452	1.7
551.14691	2.0
582.88654	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01872	6.4
55.05510	0.3
57.03437	13.5
59.04994	1.0
61.02927	12.1
65.03941	0.6
69.03430	33.9
70.03749	0.6
70.06572	0.6
71.01349	2.2
71.05003	1.9
71.31202	0.5
73.02919	29.2
73.79720	0.3
74.22850	0.3
79.05482	0.5
81.03420	7.3
83.01357	0.5
83.05024	0.4
85.02905	100.0
86.03236	2.0
87.04466	4.3
91.03966	4.3
91.05482	19.5
95.04987	0.4
97.02892	66.0
98.03230	1.4
99.04461	5.0
101.02399	0.9
103.03939	2.7
105.07025	1.1
107.05013	0.5
109.02882	8.2
115.03928	22.2
117.07040	0.3
119.04931	0.3
121.02935	0.3
121.06544	0.3
123.04482	0.4
125.02378	0.6
127.03915	33.0
128.04227	0.7
128.49840	0.3
129.07002	0.6
131.08545	0.6
133.04965	33.0
133.06380	1.4
134.05286	0.6
135.04439	0.3
137.05969	2.1
143.03358	0.4
145.04959	50.6
146.05330	1.1
147.04402	0.6
147.08110	0.4
151.03972	0.5
157.04997	0.6
157.06477	1.1
161.04478	0.9
163.06021	31.0
164.06398	1.0
164.19183	0.3
169.98418	0.3
171.08046	0.4
175.07491	0.3
177.05424	0.3
179.06989	1.4
181.07089	0.4
187.07516	0.6
193.05006	2.1
199.05963	1.5
200.14449	0.3
202.69255	0.3
204.08733	0.3
205.04941	0.3
205.08688	1.6
211.05983	0.4
217.06998	2.8
217.08591	0.5
219.52217	0.3
223.06004	6.5
224.06367	0.4
235.09636	0.8
241.07071	8.7
242.07397	0.3
247.08090	0.4
253.10716	1.7
259.08136	21.6
260.08517	1.0
271.08044	0.4
271.11679	0.7
277.09207	6.4
289.09253	1.9
295.10236	27.0
296.10559	1.2
325.11298	12.0
326.11655	0.6
367.10257	0.5
608.31738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.1
54.88795	0.8
55.01871	2.0
55.05519	11.2
57.03426	1.1
65.03957	0.9
67.05507	3.0
69.03451	5.4
71.04993	2.7
79.05477	4.7
81.03429	5.7
81.07034	1.4
83.04988	100.0
85.02905	14.9
85.03363	1.1
87.00842	5.7
91.05487	9.2
93.07063	1.5
94.93987	0.8
95.04990	3.3
95.08605	2.1
96.52937	0.9
97.02893	7.4
97.06519	2.2
99.04487	2.7
103.05479	1.4
105.01855	6.9
105.07056	2.6
107.08588	1.5
109.02888	7.7
109.10221	1.3
111.04429	0.8
112.90757	0.8
115.05453	7.6
117.07039	9.6
119.08627	1.3
120.08148	1.8
121.06572	1.8
127.03925	9.5
127.05444	0.9
128.06239	8.5
129.07021	13.2
129.15648	1.0
131.08574	2.9
133.06500	1.1
133.10225	0.9
135.08093	1.1
135.67664	0.9
137.06007	4.1
141.06995	8.4
142.07811	6.2
143.08571	3.4
145.04985	3.0
145.06499	1.8
145.10077	1.0
152.06329	1.0
153.07048	3.9
154.07758	1.4
155.08566	5.9
156.09348	2.8
157.06595	0.9
157.10147	5.5
158.07350	1.8
159.02933	1.4
159.08051	1.5
161.09685	1.2
165.07034	5.9
165.08989	0.9
166.07791	4.8
167.08376	0.9
169.06523	1.0
171.08089	3.3
181.10170	2.4
184.08769	1.1
199.11230	7.7
213.03871	1.7
217.12225	1.4
231.05013	3.0
245.10213	2.1
271.06070	1.8
287.05490	3.7
288.05798	2.2
299.16571	3.8
331.10248	2.4
386.64764	0.9
444.43704	0.8
745.38977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.3
55.01881	8.2
55.05518	13.1
60.05676	5.7
66.84656	5.3
67.05505	32.6
69.03439	13.0
69.07077	18.1
79.05489	40.3
81.03413	12.4
81.07078	30.2
85.02917	22.9
87.00826	9.2
91.05482	100.0
92.08320	6.5
93.07064	32.5
95.04984	6.9
95.08617	22.0
97.02904	10.1
103.05491	9.9
105.01898	8.2
105.04503	5.9
105.07062	28.8
107.08604	13.5
109.02865	9.4
109.10146	7.6
115.05448	46.5
117.07038	48.6
119.08597	15.7
121.10078	6.2
123.08010	6.6
127.03927	18.5
128.06255	25.1
129.07013	25.1
131.08534	10.6
133.10150	6.6
141.07013	45.7
142.07799	14.0
143.08565	18.2
145.05029	7.7
145.06393	5.9
145.10092	8.7
147.11650	7.1
153.07018	71.2
154.07761	10.6
155.08560	38.1
157.10120	8.8
165.06992	15.8
167.08542	27.4
168.09390	18.0
169.10178	16.8
171.11790	8.1
178.07790	7.7
179.08633	15.8
181.10138	17.4
183.11714	33.0
184.07359	13.6
193.10175	14.6
195.11804	13.7
205.10129	11.1
207.11737	12.5
209.13403	8.0
219.90523	6.0
220.12480	9.7
221.13329	14.2
235.14760	7.9
240.45779	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	746.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01886	3.9
55.05502	4.0
57.03436	3.1
61.02934	2.2
62.81842	0.8
67.05503	9.1
68.99811	2.0
69.03085	0.9
69.03439	13.5
69.07064	3.6
69.16502	3.6
69.16923	3.5
69.19465	0.8
71.04991	1.9
73.02914	3.0
77.17172	0.9
79.05497	6.8
81.03429	11.0
81.07065	17.5
83.04982	2.4
83.08633	3.0
84.08160	1.1
85.02910	32.0
87.00841	12.0
91.04021	0.8
91.05477	12.4
93.07051	14.8
95.04977	2.2
95.08608	17.4
97.02899	14.5
97.06508	1.1
97.10180	2.4
99.04456	3.8
105.01868	16.0
105.07040	28.5
105.07753	1.4
106.07384	1.2
107.04949	1.1
107.08600	23.7
109.02882	13.5
109.06521	1.2
109.10156	19.4
110.02049	0.8
110.10478	1.0
111.04470	1.8
111.08102	0.9
111.11727	2.6
115.05442	1.0
117.01862	1.1
117.06999	4.8
119.08589	36.0
120.08926	0.9
121.06496	1.3
121.10152	12.3
123.04459	1.3
123.08086	1.2
123.11708	2.8
125.09629	1.0
127.03919	22.4
129.01915	0.8
129.07002	2.3
131.08575	17.4
132.08913	0.9
133.10141	13.2
135.08099	1.3
135.11728	6.6
137.06007	2.4
139.11224	1.4
142.12273	1.9
143.08569	7.8
145.04956	8.3
145.10135	21.8
147.02866	1.4
147.04434	1.0
147.11693	21.9
149.13258	4.7
151.07608	1.1
151.11206	1.4
155.08609	1.3
157.10127	9.1
159.02936	5.0
159.08110	0.8
159.11714	14.5
160.12117	1.4
161.09726	0.8
161.13254	13.4
162.07599	1.2
163.11244	1.2
163.14824	2.8
165.12701	1.2
167.07025	1.3
167.10661	1.4
169.10188	2.3
171.11745	4.5
173.13274	11.0
175.14868	6.8
179.10710	3.0
180.08652	2.5
181.05107	1.2
183.11726	2.1
185.13242	5.2
187.11096	1.4
187.14824	1.9
189.03955	1.0
191.10670	1.4
191.14363	1.8
193.12314	5.4
197.13181	1.2
199.14821	14.4
201.12645	1.2
201.16406	2.2
205.12224	1.8
207.13808	3.4
211.14815	1.7
212.16602	1.4
213.03998	1.9
213.16324	6.3
215.18022	2.2
219.13806	1.7
221.15335	1.8
227.17952	5.5
229.19507	1.1
231.04982	8.0
237.16508	1.2
239.18004	1.0
241.15898	0.9
245.15402	5.6
249.06010	5.0
251.08722	0.9
253.19536	1.1
254.17436	1.4
255.21092	75.8
256.21445	5.1
257.22559	4.2
259.16934	2.2
265.19540	1.5
273.18661	1.4
273.22086	2.7
279.21054	1.0
283.20605	15.1
283.23648	1.3
284.21051	1.2
287.05460	2.0
301.21634	100.0
302.21976	7.3
319.22678	26.2
320.23056	2.0
324.21460	0.9
325.21545	1.2
343.22549	1.6
345.22198	1.0
363.23514	1.2
367.22818	1.4
375.43298	0.9
385.23712	1.3
391.22791	1.6
409.23691	3.8
427.24603	4.0
463.27097	1.0
485.25803	1.2
499.46429	0.8
503.26236	3.0
513.24683	2.9
531.25757	7.2
532.25934	1.3
549.26984	5.1
567.27856	1.7
746.28882	0.8
747.30927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01871	3.8
65.03932	6.8
67.05493	2.7
69.03425	2.1
69.37571	6.9
70.06592	1.2
75.04479	2.9
77.93534	1.1
78.04704	3.8
79.05482	7.6
81.03411	2.2
82.04184	1.2
85.02919	6.4
89.03935	1.2
91.05487	12.7
93.03407	8.3
93.07063	3.8
95.04964	6.1
95.08591	1.1
97.02879	1.3
97.06528	2.6
103.05467	24.8
105.03380	2.1
105.07035	9.0
106.04166	16.4
107.04960	12.2
109.06540	1.6
110.03632	2.7
111.04443	1.8
115.05447	6.7
117.07026	4.9
118.04142	6.3
119.04949	3.4
120.05688	1.1
121.06504	21.9
123.04431	4.3
123.08055	1.2
124.05214	3.1
125.05990	9.4
129.06999	1.9
131.04932	24.0
132.05722	2.9
133.02849	2.5
133.06477	10.4
134.03653	3.1
135.04411	1.6
137.05948	10.1
139.07568	1.3
141.06975	1.3
142.02553	2.0
143.04922	1.7
144.05679	2.2
145.02835	2.5
145.06508	6.9
147.04414	3.2
147.08038	2.4
148.05203	11.7
149.05983	31.7
151.03938	6.1
151.07570	3.2
152.04669	1.8
153.05458	4.5
153.09065	8.6
155.05965	1.6
157.06499	2.3
159.08112	2.6
160.05153	1.3
161.05978	15.2
161.07185	1.8
161.09595	1.6
162.01378	1.6
163.03853	2.2
163.07533	24.9
164.04816	1.1
165.05534	1.8
165.09058	2.3
167.07034	65.1
168.07399	1.2
171.06577	2.8
171.44591	1.3
173.06041	6.4
175.07559	3.3
176.04684	3.0
177.05460	21.7
179.06964	2.1
181.04958	74.3
181.08533	17.9
182.05368	1.9
187.07565	4.2
189.09184	1.2
191.07027	98.2
192.07489	5.2
193.04903	1.1
193.08620	5.9
195.06528	4.9
201.05479	2.1
203.06998	3.3
205.08580	4.7
207.06451	1.4
207.10188	2.2
209.08084	100.0
210.08492	3.8
219.10162	7.4
221.08069	2.0
223.04231	18.7
225.07521	1.6
233.08125	5.3
235.07527	2.3
235.09669	5.4
236.08255	1.5
245.07967	1.6
263.06741	2.0
263.09186	22.2
264.07718	1.9
265.08594	2.0
267.10184	4.5
277.08356	1.2
309.11133	1.6
312.09009	3.5
325.10721	4.1
327.12189	2.0
339.12369	2.1
357.13361	8.8
367.11673	2.3
369.13449	1.5
385.12772	11.3
399.14410	4.2
417.15445	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	748.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01871	3.8
65.03932	6.8
67.05493	2.7
69.03425	2.1
69.37571	6.9
70.06592	1.2
75.04479	2.9
77.93534	1.1
78.04704	3.8
79.05482	7.6
81.03411	2.2
82.04184	1.2
85.02919	6.4
89.03935	1.2
91.05487	12.7
93.03407	8.3
93.07063	3.8
95.04964	6.1
95.08591	1.1
97.02879	1.3
97.06528	2.6
103.05467	24.8
105.03380	2.1
105.07035	9.0
106.04166	16.4
107.04960	12.2
109.06540	1.6
110.03632	2.7
111.04443	1.8
115.05447	6.7
117.07026	4.9
118.04142	6.3
119.04949	3.4
120.05688	1.1
121.06504	21.9
123.04431	4.3
123.08055	1.2
124.05214	3.1
125.05990	9.4
129.06999	1.9
131.04932	24.0
132.05722	2.9
133.02849	2.5
133.06477	10.4
134.03653	3.1
135.04411	1.6
137.05948	10.1
139.07568	1.3
141.06975	1.3
142.02553	2.0
143.04922	1.7
144.05679	2.2
145.02835	2.5
145.06508	6.9
147.04414	3.2
147.08038	2.4
148.05203	11.7
149.05983	31.7
151.03938	6.1
151.07570	3.2
152.04669	1.8
153.05458	4.5
153.09065	8.6
155.05965	1.6
157.06499	2.3
159.08112	2.6
160.05153	1.3
161.05978	15.2
161.07185	1.8
161.09595	1.6
162.01378	1.6
163.03853	2.2
163.07533	24.9
164.04816	1.1
165.05534	1.8
165.09058	2.3
167.07034	65.1
168.07399	1.2
171.06577	2.8
171.44591	1.3
173.06041	6.4
175.07559	3.3
176.04684	3.0
177.05460	21.7
179.06964	2.1
181.04958	74.3
181.08533	17.9
182.05368	1.9
187.07565	4.2
189.09184	1.2
191.07027	98.2
192.07489	5.2
193.04903	1.1
193.08620	5.9
195.06528	4.9
201.05479	2.1
203.06998	3.3
205.08580	4.7
207.06451	1.4
207.10188	2.2
209.08084	100.0
210.08492	3.8
219.10162	7.4
221.08069	2.0
223.04231	18.7
225.07521	1.6
233.08125	5.3
235.07527	2.3
235.09669	5.4
236.08255	1.5
245.07967	1.6
263.06741	2.0
263.09186	22.2
264.07718	1.9
265.08594	2.0
267.10184	4.5
277.08356	1.2
309.11133	1.6
312.09009	3.5
325.10721	4.1
327.12189	2.0
339.12369	2.1
357.13361	8.8
367.11673	2.3
369.13449	1.5
385.12772	11.3
399.14410	4.2
417.15445	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	748.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01871	5.9
57.03434	2.4
61.02925	4.0
65.03934	0.8
69.03427	9.3
69.71089	1.9
70.06577	1.1
71.04987	1.5
73.02896	0.9
77.03918	1.2
79.05511	3.1
81.03039	0.5
81.03428	4.9
83.01328	0.7
84.08144	0.5
85.02905	29.0
86.03242	0.5
86.09699	0.8
87.04469	1.1
89.03913	0.7
91.03942	1.7
91.05484	16.0
93.03412	0.6
93.06464	0.8
93.07042	15.7
95.04963	3.7
95.55791	0.4
97.02888	9.1
98.23266	0.5
99.04452	2.1
103.04781	1.1
103.05467	18.8
104.05797	0.5
105.03423	0.6
105.04500	1.5
105.07030	22.0
106.04162	1.1
106.07362	1.1
107.04953	2.2
109.02859	3.2
115.05457	4.4
117.03358	0.7
118.04168	2.0
119.04952	2.5
121.06507	33.0
122.06851	1.2
123.04392	0.5
127.03932	5.3
131.04921	5.4
131.06023	1.5
133.02855	8.3
133.06493	22.0
134.06830	0.7
135.08052	0.5
137.05980	5.7
140.32343	0.4
140.76273	0.4
143.04939	0.5
143.06029	1.6
145.02866	1.1
145.04944	7.4
147.04382	2.8
148.05194	2.2
149.05980	55.0
150.06366	2.0
153.05432	0.8
161.05981	37.7
162.06349	1.6
163.06219	0.8
163.07533	5.8
165.05533	2.4
165.09116	0.8
166.06264	1.0
167.07043	13.3
173.06024	0.5
176.04637	0.5
177.05470	7.9
177.09050	1.7
178.05904	0.6
179.07005	2.3
180.07797	1.7
181.08595	38.4
182.08916	1.3
188.03767	1.1
191.07033	34.0
192.07388	1.4
193.08603	47.2
194.08897	1.5
195.10196	0.7
207.06433	0.5
209.08086	100.0
210.08432	4.4
211.09657	1.4
341.13760	1.0
371.13443	7.4
452.04553	0.4
454.65704	0.5
587.12646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01878	5.1
57.03434	2.1
61.02930	3.8
64.79879	0.3
65.03936	0.6
69.03431	8.7
70.24408	0.9
70.38741	0.4
71.05000	0.7
73.02921	1.3
75.04470	0.3
75.18969	0.4
77.03948	0.8
78.04718	0.6
79.05487	2.6
81.03417	4.6
85.02908	28.7
86.03223	0.5
87.04487	1.3
89.03915	0.5
91.03938	2.0
91.05479	15.2
92.05796	0.4
93.07043	17.3
94.07394	0.9
95.04961	3.6
97.02891	10.3
99.04457	1.6
102.04700	0.5
103.05470	19.6
105.04557	1.7
105.07030	18.2
106.04175	1.4
106.07396	0.4
107.04944	1.8
109.02874	2.7
109.06499	0.5
115.03953	0.3
115.05455	4.4
117.03381	1.0
117.07012	0.4
118.04153	2.9
119.04983	1.7
119.87791	0.3
121.06509	32.7
122.06874	1.1
124.05260	0.5
127.03909	5.7
130.04147	0.6
131.04936	7.3
131.06038	1.7
133.02849	9.7
133.06490	19.2
134.03595	0.4
134.06854	0.7
135.08015	0.6
137.05969	3.5
143.05028	0.5
143.06064	1.5
145.02875	1.0
145.04959	7.4
145.06201	0.5
145.06537	0.4
147.04448	2.2
148.05200	3.1
149.05980	56.3
150.06331	2.2
151.03903	0.4
153.05438	0.5
161.05978	31.0
162.06384	1.2
163.07532	6.5
164.07785	0.3
165.05472	2.5
165.09160	1.2
165.60272	0.3
166.06213	1.8
167.07065	1.7
173.05905	0.4
176.04691	0.9
176.08301	0.5
177.05470	7.2
177.09065	1.4
179.07077	1.0
180.07755	2.1
181.08597	38.3
182.08980	1.3
191.07033	52.6
192.07333	2.3
193.08604	34.5
194.08975	1.3
203.07092	0.3
209.08086	100.0
210.08423	4.7
341.13736	1.3
358.77292	0.4
371.13351	7.2
372.13489	0.7
395.07999	0.4
536.52734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01875	6.8
57.03446	2.0
61.02917	4.1
65.03954	0.9
66.13879	0.9
69.03438	8.0
71.04980	1.2
71.30589	0.9
73.02916	1.1
79.05481	3.7
81.03410	4.3
85.02904	24.9
87.04467	1.0
88.37090	0.8
91.03969	2.1
91.05483	13.4
93.07044	15.7
95.04974	3.2
97.02896	8.2
99.04446	2.0
103.05466	20.2
105.07034	18.5
106.04138	1.1
107.04964	2.1
109.02903	2.3
115.05466	3.3
118.04150	3.0
119.04941	3.0
121.06500	26.8
127.03926	5.7
131.04932	8.0
131.05910	1.9
133.02864	11.5
133.06485	17.9
137.05981	4.0
143.05005	1.2
143.06015	1.7
145.04913	7.5
147.04391	3.6
148.05196	2.5
149.05983	54.6
150.06572	1.8
161.05983	36.3
162.06384	1.3
163.07529	7.5
165.05490	3.2
167.07056	2.3
173.05966	1.4
177.05501	9.7
177.09090	1.9
179.07057	1.2
181.08594	37.7
187.07489	1.2
191.07031	53.7
192.07401	1.1
193.08597	39.2
194.08934	2.1
209.08084	100.0
210.08443	4.2
235.09691	3.4
341.13748	1.5
371.13425	7.3
425.08722	1.4
465.19620	1.2
585.83118	0.9
637.13586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01869	0.6
55.05508	1.4
57.03423	0.7
60.66815	0.3
61.02925	1.2
62.06068	0.4
67.05514	1.9
67.73528	0.3
67.79489	0.3
69.03426	3.2
69.07056	1.2
70.06588	0.7
71.04970	0.5
71.07369	0.5
71.08637	4.4
71.30469	0.5
72.08147	1.0
73.02915	0.3
79.05486	1.1
81.03429	1.8
81.07064	5.0
83.04988	0.5
83.08648	0.7
84.08149	0.9
85.02909	6.4
85.06534	0.5
86.05576	0.6
86.06072	8.1
86.55815	0.3
89.83966	0.3
91.05489	2.5
91.05988	0.4
93.07051	1.3
95.04967	0.8
95.08624	2.1
95.09132	0.3
96.08131	2.4
97.02889	3.2
97.06548	0.9
98.06100	0.7
98.09708	3.1
99.04440	0.9
99.08099	3.7
100.07669	0.4
105.07040	3.0
107.08602	1.4
108.08118	1.4
109.02879	1.1
109.06497	0.9
109.10169	0.4
110.82233	0.4
114.09155	0.3
116.10738	21.2
117.11124	0.5
119.08588	2.2
121.10152	1.6
122.09655	1.4
123.08091	0.5
123.11696	2.1
124.01834	0.4
124.07584	0.5
126.09192	0.5
127.03941	1.9
127.24257	0.3
129.07008	0.8
129.53651	0.3
131.08621	0.4
133.10123	1.0
136.11209	0.6
137.06000	0.3
140.10699	0.6
143.10678	2.4
145.04947	0.7
147.11691	7.2
149.09590	0.4
150.12802	0.3
154.15927	3.2
157.10126	1.3
164.14307	0.5
165.12755	3.0
166.15907	2.2
168.17476	0.8
175.11143	1.6
178.15895	1.3
193.12265	0.9
195.03003	0.3
196.16975	7.0
199.48807	0.3
214.18024	100.0
215.18373	4.6
229.14349	13.0
254.17616	0.6
255.15912	1.0
308.22098	0.4
326.23242	11.4
327.23615	0.6
373.18225	0.4
376.23325	11.2
377.23602	0.9
406.29617	2.2
424.30585	19.0
425.31009	1.8
488.28638	1.8
538.28662	9.2
539.28772	0.8
574.81653	0.3
586.35645	3.9
587.35742	0.7
650.33484	0.9
748.41382	2.6
749.41602	0.4
763.21790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10321	1.4
55.01869	2.4
55.87027	1.4
57.26622	1.4
58.58630	1.3
65.03947	6.1
69.03435	4.3
70.06599	7.6
71.31741	1.5
72.08152	1.4
72.80173	1.4
77.03951	1.5
79.05524	2.8
81.03410	3.4
81.20638	1.4
84.04496	1.8
85.02902	13.0
86.09692	3.0
91.05488	6.3
93.03426	3.3
95.04957	3.6
96.25219	1.3
97.02897	5.6
103.05489	2.5
105.03411	2.7
105.07036	3.2
107.04954	5.8
110.03664	5.7
111.04448	5.0
115.05476	4.6
116.06274	1.5
119.04978	6.9
119.05725	1.7
121.02885	6.6
121.06507	2.5
123.04413	2.5
125.06002	6.9
131.04906	4.2
133.02872	14.4
133.06493	2.1
137.05971	16.2
138.10759	1.8
143.04939	1.8
145.06493	11.0
147.04413	10.4
149.06013	5.7
151.03946	2.7
151.07573	4.9
153.05472	21.9
157.66031	1.6
161.05963	10.4
162.07620	2.1
163.07622	2.6
165.05521	3.3
165.06969	3.3
166.07857	1.4
166.12479	1.6
167.07034	42.3
167.08327	1.7
168.07285	2.6
171.57594	1.8
173.06000	9.4
175.07558	3.1
177.05487	5.9
177.06969	2.2
179.07019	6.0
179.08556	3.1
181.04948	12.9
181.06435	3.1
185.05962	2.9
189.07047	1.9
190.07793	2.9
191.07042	7.4
191.08618	6.0
193.08595	3.0
194.07243	4.5
195.08035	2.3
197.05984	2.1
203.06995	4.1
205.06509	5.9
206.07350	3.1
207.06331	1.6
207.08055	4.0
208.08745	2.1
209.07986	3.2
209.09720	3.1
210.08708	1.9
211.07594	4.0
219.08084	10.4
221.05992	3.5
222.06746	9.2
223.07373	4.1
225.09209	2.2
231.08076	1.7
233.05995	3.0
233.08057	3.0
234.06714	2.1
235.07582	5.4
236.08328	4.1
237.09084	15.8
239.07034	6.8
241.08769	1.8
247.07484	5.4
249.05377	2.2
249.09157	1.5
250.06297	6.1
251.07051	5.2
253.08583	1.9
254.09544	2.0
255.10239	4.6
264.07736	3.6
265.08624	8.1
266.09366	2.0
267.06525	9.5
268.06934	2.1
275.07016	2.2
279.10095	2.6
282.08829	5.3
283.09589	7.1
293.08075	5.2
294.08487	2.2
295.09695	3.1
297.11218	74.8
298.11719	4.5
299.09103	3.4
305.08133	2.2
307.09616	4.7
310.08691	1.7
311.09158	16.2
311.12463	2.5
312.09799	4.5
313.10605	2.4
315.12204	16.8
323.09082	2.0
323.12683	3.1
325.10681	100.0
326.11038	9.9
327.12289	12.3
337.10483	7.8
338.11725	1.9
339.12253	6.6
343.11768	81.4
344.11914	7.2
345.13211	2.9
355.11813	6.4
357.13351	3.1
373.12747	9.2
410.85818	1.6
422.10599	2.0
426.09030	2.3
462.87158	1.7
475.17340	2.3
487.17175	2.1
505.18182	2.8
571.08942	2.4
589.09644	3.2
751.23590	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01868	2.4
57.03422	3.2
61.02930	1.1
61.03961	1.1
67.05499	1.4
69.03432	8.2
71.32516	2.0
73.02940	1.4
78.04707	1.9
79.05491	9.1
81.03423	13.2
85.02911	12.8
87.29835	0.9
91.05470	11.1
93.07035	4.5
95.04961	4.2
97.02900	5.1
97.33847	0.9
99.04452	1.2
103.05463	16.6
105.03367	1.4
105.07034	24.7
106.04161	0.9
107.04958	75.4
107.08559	1.0
108.05283	1.7
109.02897	2.8
111.04459	1.3
113.76867	1.0
115.05431	6.6
117.06991	2.7
118.04181	2.7
119.04974	6.0
120.05739	3.3
121.06497	10.6
122.03666	1.7
123.04398	6.9
124.05191	1.7
127.03919	5.7
129.06973	1.4
131.04939	13.8
131.08571	1.3
132.05742	1.2
133.02847	17.4
133.06502	21.4
135.04361	2.5
135.08057	28.4
137.05977	30.9
138.06310	1.7
145.04979	3.3
145.06534	2.2
145.07613	2.8
147.04404	10.1
148.05170	1.1
149.05989	19.1
150.06779	7.7
151.03926	2.4
151.07539	17.1
154.06236	3.1
159.08133	1.2
161.05980	20.4
163.07541	100.0
164.07912	3.6
165.05516	3.8
165.09178	5.3
166.06279	2.3
167.07037	95.5
168.07396	3.3
169.06451	1.3
175.07579	3.1
177.05479	4.0
179.05537	0.8
179.07031	21.0
179.10658	2.5
180.07738	2.8
181.07010	1.7
181.08604	33.4
182.09012	1.3
187.07585	3.3
191.07034	9.4
192.07516	1.1
193.08611	50.0
194.08978	3.0
195.10170	96.2
196.10561	4.8
197.11774	2.0
198.06946	1.0
201.09157	1.4
203.07094	2.9
205.08557	3.4
207.06645	1.4
207.10176	8.4
209.08081	2.2
209.11719	1.6
211.09653	64.3
212.10057	3.4
213.11211	46.2
214.11505	1.3
215.07030	2.1
217.08708	1.4
219.10246	1.3
221.08197	1.2
223.09622	5.9
225.11218	6.7
227.06978	1.3
229.08516	1.1
233.08112	2.9
235.09599	1.3
237.11232	8.6
253.10760	9.6
255.12257	3.0
257.07968	1.5
259.09744	1.7
262.16391	1.3
279.12305	3.0
291.12250	4.6
293.10074	1.4
294.10284	1.5
303.12207	5.0
305.10132	1.9
305.13641	1.2
307.78378	1.1
311.11353	0.9
321.13312	11.2
323.11304	3.0
324.59183	1.2
339.14496	2.0
343.15372	3.7
361.16330	4.2
373.15469	1.4
487.19263	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82749	1.0
55.01870	2.9
57.03452	1.4
61.02942	1.7
65.03938	1.3
69.03428	7.1
70.06583	1.8
71.35876	1.0
72.08163	1.8
73.02920	1.5
75.04463	1.1
77.03905	1.3
78.04719	1.1
79.05495	4.5
81.03420	4.6
81.07075	2.2
84.08178	1.1
85.02917	11.6
86.09711	1.7
91.05482	13.6
93.03399	1.5
93.07055	4.2
95.04984	3.4
97.02907	4.4
98.23363	2.3
98.97591	1.5
99.04463	1.6
103.05468	13.4
105.07034	16.2
106.04173	4.6
106.07400	1.3
107.04957	23.1
109.02927	2.1
109.06485	2.1
115.05474	3.9
117.07012	2.8
117.16420	1.2
118.04161	1.6
119.04977	6.6
119.08596	1.9
120.05793	1.3
121.06496	13.0
123.04469	3.2
125.05897	1.1
127.03906	6.1
128.06239	1.6
129.06998	7.2
131.04938	13.2
131.08582	2.9
132.05710	2.5
133.02884	3.6
133.06494	16.8
133.09921	1.3
134.03595	1.5
135.04451	1.8
135.08061	4.6
137.05984	15.3
139.07564	1.5
141.07028	1.5
145.04964	3.0
145.06514	2.9
146.07256	2.2
147.04433	1.6
147.08064	1.9
148.05203	6.1
149.05972	15.5
149.09604	10.4
151.03885	1.2
151.07553	9.3
153.05457	1.7
157.06528	3.1
159.04559	1.6
159.08038	1.5
160.05167	1.5
161.05981	80.4
161.09608	20.0
162.06416	3.5
162.09984	1.6
163.03906	3.3
163.07555	37.8
164.07896	1.3
165.05518	3.8
165.06915	1.3
165.09138	4.2
166.06293	1.5
167.07051	44.3
167.10699	2.6
168.07445	1.9
174.06795	3.0
175.07582	8.6
177.05518	10.7
177.09102	10.4
179.00273	1.2
179.07050	10.3
180.07828	12.5
181.08604	26.4
189.09111	59.0
190.09448	2.1
191.07040	17.7
192.07719	2.8
193.08620	33.1
193.09991	1.2
194.09111	2.3
195.08118	1.6
195.10181	2.6
197.08118	4.3
205.08577	2.4
207.06531	5.0
207.10168	100.0
208.10585	2.9
209.08095	24.5
211.09651	1.4
219.10036	6.0
221.08133	4.9
221.11778	3.1
225.09135	2.5
227.09117	2.4
233.08109	2.8
245.07944	2.1
253.08565	2.3
257.11795	2.3
259.09726	1.7
263.09192	1.9
275.09131	1.6
283.13507	1.4
284.84558	1.3
285.11194	2.5
291.12286	4.2
307.11450	1.2
315.12357	3.3
317.10297	1.6
317.13824	3.6
323.11258	2.0
329.13815	1.9
337.65668	1.2
341.12402	7.1
343.15424	8.2
353.12372	2.3
361.16464	87.7
362.16928	5.9
371.13370	3.0
373.16351	8.4
391.17725	1.5
683.23541	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05503	1.3
57.03439	0.6
57.07031	0.3
57.77158	0.4
61.02915	0.6
62.06086	0.8
62.06415	0.4
67.05491	1.6
69.03439	3.0
69.07058	1.8
70.06570	0.5
71.04982	0.4
71.08633	4.9
71.31019	0.4
72.08134	0.9
73.02914	0.5
75.17045	0.4
79.03115	0.4
79.05493	0.8
81.03433	1.7
81.07060	2.6
83.08608	1.6
84.08130	0.8
85.02908	5.0
86.06069	5.0
87.04443	0.5
93.07036	1.3
95.08609	1.8
96.08133	2.1
97.02891	2.2
97.06509	0.9
97.10186	0.6
98.06064	0.6
98.09685	1.8
99.04419	0.5
99.08102	2.4
107.08587	1.0
108.08114	1.1
109.02827	1.0
109.10133	0.6
110.09695	0.5
114.09101	0.4
116.10734	15.3
117.11109	0.6
121.10143	0.7
122.09676	1.2
123.11658	0.5
124.07631	0.4
125.09599	0.4
127.03913	1.5
136.11264	0.7
140.10638	0.9
143.10629	2.0
145.04942	0.9
149.13254	2.3
154.12242	0.4
154.15927	2.5
157.46844	0.4
159.11682	0.4
164.14346	0.4
166.15918	3.1
167.14259	0.6
168.17386	0.6
178.15921	1.1
196.16982	6.5
214.18016	100.0
215.18372	4.9
216.19867	0.3
231.15887	6.1
257.17487	0.6
287.05441	0.6
310.23611	0.9
328.24850	2.8
339.17914	0.4
347.18500	0.3
357.18732	1.2
375.20047	0.5
376.23291	11.6
377.23575	1.0
408.31131	1.1
426.26721	0.7
426.32111	8.4
427.32281	0.9
521.46973	0.4
538.28522	8.3
539.28735	1.1
554.29242	0.4
588.37256	4.0
589.38037	0.5
750.43024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	13.5
55.01871	7.9
55.05309	1.6
55.05515	17.7
57.03438	6.3
60.04523	2.4
61.02910	5.7
65.03944	4.5
67.05505	38.9
68.99773	6.0
69.03075	2.9
69.03432	40.3
69.07066	12.1
69.71387	2.2
70.06609	2.0
71.04999	7.8
71.30655	2.7
73.02921	8.2
79.05490	29.1
81.03420	45.8
81.07057	85.0
82.07381	3.3
83.01368	1.6
83.04980	4.0
83.08628	4.3
85.02908	84.3
85.06535	2.1
87.00833	34.6
87.94759	1.7
91.03970	1.9
91.05481	40.1
93.07047	71.8
95.01357	1.7
95.04966	8.4
95.08612	89.9
96.08982	2.6
97.02895	39.7
97.06543	4.3
97.10171	4.1
99.04441	19.0
101.02378	1.9
103.03943	1.9
105.01869	35.5
105.04498	1.7
105.07032	80.8
106.07385	2.0
107.08594	99.4
108.08895	5.1
109.02887	45.1
109.06530	5.4
109.10157	71.0
115.03906	2.1
117.01803	4.0
117.07053	3.7
118.02214	1.8
119.08582	65.5
120.08899	2.4
121.06499	3.4
121.10143	37.1
123.08099	3.2
123.11700	16.3
125.09589	1.9
127.03923	79.0
129.01846	6.8
129.06975	1.9
131.08574	5.7
133.10130	44.2
134.10548	2.0
135.08075	5.9
135.11700	32.6
137.05969	6.3
141.01842	2.6
143.08505	2.0
145.04964	28.6
145.10118	8.2
147.02892	3.1
147.07997	2.0
147.11691	63.2
148.12047	2.8
149.09630	3.1
149.13329	1.7
151.11195	2.3
157.10153	4.3
159.02896	24.2
159.11697	11.0
161.09624	5.1
161.13258	35.8
163.14812	9.8
173.13251	3.6
175.11188	4.1
175.14839	9.8
185.13164	3.0
187.14908	2.2
189.03935	3.8
189.16382	33.3
201.16290	3.6
203.17955	100.0
204.18268	7.1
213.03917	8.4
213.16336	2.1
217.15860	27.7
218.16185	2.0
221.19003	5.2
231.05006	20.3
249.06026	2.9
269.22546	1.7
273.06039	4.3
287.05457	2.3
311.20453	2.4
339.07129	2.0
393.19397	9.7
397.16525	3.1
486.26965	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
69.03424	1.6
70.06597	1.4
71.31866	1.0
76.49235	0.8
79.05492	2.7
81.07080	1.5
81.28276	0.8
83.31293	0.8
85.02930	1.0
91.05494	7.5
93.07048	1.5
94.04181	5.1
95.04976	1.7
95.08624	1.4
97.02910	1.2
103.05472	4.7
105.01875	0.9
105.07034	2.2
107.04957	1.9
107.08579	1.3
109.06494	0.9
109.69530	0.8
111.04491	1.0
115.03978	1.0
117.07030	1.1
119.04950	4.8
119.08591	2.0
121.06536	2.3
122.03649	8.5
128.06256	1.0
129.07021	2.0
131.04930	7.4
131.08609	1.7
133.02881	0.9
133.06487	1.4
135.04439	4.1
137.05980	100.0
138.06314	2.9
145.06508	1.5
147.04369	1.9
147.08022	1.1
149.05968	4.1
151.03929	1.1
151.07555	19.3
152.07918	0.9
159.08069	0.9
160.54199	0.8
161.04831	1.3
161.05984	7.2
163.07535	11.1
165.07019	2.3
165.09099	2.1
167.07065	3.1
167.08533	1.6
171.08041	1.5
174.06754	2.2
175.07547	5.8
177.09111	2.8
178.07780	0.8
183.25183	1.0
187.07549	3.1
188.08260	1.1
189.09062	2.6
193.06563	2.0
194.07321	2.1
201.09108	1.1
203.10690	2.1
204.87469	0.9
205.04773	1.1
205.06573	1.8
209.05951	1.1
210.06723	1.1
211.07430	1.3
212.08151	1.0
213.09238	1.0
219.08156	1.2
219.10201	1.5
221.06001	2.5
222.06818	1.5
223.07549	1.1
224.08313	1.1
225.09116	2.7
227.10544	1.7
233.05957	0.9
237.09138	1.4
240.07886	1.0
247.07513	1.4
251.10617	1.7
253.08588	2.9
255.10147	1.8
263.10641	1.3
265.08640	3.7
267.10184	3.2
268.07516	1.8
277.08618	1.9
279.10168	1.5
282.08649	1.6
283.09647	6.2
285.11124	6.3
287.12766	3.4
291.10245	1.1
293.11804	0.9
294.08725	1.3
295.09756	1.7
297.11176	8.5
298.11484	1.4
299.12857	3.0
305.11816	1.0
307.10001	1.0
307.13290	1.3
309.11072	2.4
311.12787	3.5
317.11551	1.3
319.09097	1.0
321.11227	1.4
323.12665	1.6
335.12479	1.1
339.15967	1.4
349.14020	1.1
351.16055	1.2
369.17010	1.6
433.16260	1.5
475.21472	1.0
485.19370	1.3
487.20972	1.2
499.21057	1.3
511.21503	1.1
515.72906	1.0
517.22113	3.5
521.21765	1.8
529.22705	1.3
623.26459	1.7
635.27179	1.2
641.27069	2.7
653.27026	2.3
755.25647	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	754.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
55.01868	4.0
55.05511	2.8
57.03443	1.7
57.07072	1.6
59.04997	1.8
60.14759	1.0
61.02919	1.1
62.65279	1.2
67.05504	2.6
69.03426	8.0
69.07072	6.4
70.11130	1.0
71.05003	2.1
71.13949	1.0
71.30328	1.6
73.02935	1.7
79.05489	4.5
81.03433	10.4
81.07056	7.5
83.08624	3.5
85.02906	17.8
85.06534	3.6
87.00830	10.1
91.05482	5.1
93.07050	13.7
95.08608	17.7
97.02874	11.6
97.06546	2.1
97.10207	2.5
99.04461	4.8
105.01856	7.4
105.07026	16.7
107.08604	27.7
108.08964	1.0
109.02883	12.2
109.06544	1.9
109.10155	10.3
111.08083	2.6
111.11717	1.5
115.98737	0.9
117.06927	1.2
119.08582	39.0
121.06497	1.8
121.10143	19.9
123.08063	2.2
123.11702	3.3
123.14531	1.0
125.09645	1.4
127.03916	13.4
129.01904	1.3
131.08539	2.5
133.10136	26.0
134.10457	1.5
135.08066	5.5
135.11703	18.7
139.07541	5.6
145.04953	5.1
145.10112	9.4
147.08087	1.6
147.11681	20.9
149.09644	6.1
149.13283	3.7
151.07619	1.2
151.11163	1.6
153.09111	18.5
157.10114	1.5
159.02866	5.8
159.11722	3.6
161.13266	6.0
163.11259	5.0
163.14798	4.3
165.09154	10.2
167.10774	1.3
173.13229	1.8
175.11250	1.3
175.14888	1.3
177.16368	10.1
179.10707	5.1
187.14830	20.9
189.16397	62.5
190.16768	3.4
193.12286	3.2
203.18005	3.8
205.15874	44.8
206.16255	2.3
207.13834	2.2
207.17433	10.9
213.16377	2.8
223.16942	81.1
224.17293	3.8
231.05035	4.5
231.17468	10.1
249.06169	1.1
249.18512	100.0
250.18871	6.9
267.19553	17.2
268.19901	1.6
453.33548	4.0
471.34610	3.2
492.38324	1.0
560.76794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.36
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60256	0.2
55.05512	2.9
57.05809	0.4
60.04518	0.3
67.05495	0.5
68.05019	0.7
69.03430	0.8
69.07078	1.1
70.06593	100.0
70.32992	0.8
71.04994	0.3
71.06932	1.2
72.08155	16.3
79.05499	0.6
81.03408	0.4
81.07060	1.8
82.06580	0.6
83.04977	0.6
83.08608	0.3
84.08153	0.8
84.97729	0.2
85.02901	0.7
86.09705	23.0
87.10014	0.3
91.05477	3.8
93.07055	1.0
95.04965	0.5
95.08591	1.4
97.06567	0.4
97.07664	1.8
97.10163	0.4
98.06052	4.6
103.05460	1.4
105.03405	0.7
105.07054	0.5
106.06582	0.5
107.04974	0.6
107.08608	0.5
109.06525	0.4
109.07671	0.3
109.10167	0.9
111.08076	0.3
115.05483	0.3
115.08685	2.2
117.05811	0.2
117.07001	0.4
118.06544	7.5
119.04956	0.9
119.07352	0.8
119.08589	0.4
120.08109	3.7
121.10087	0.5
123.04427	0.4
123.08133	0.4
123.11671	0.3
125.07126	3.1
126.05527	1.3
127.03965	0.4
130.06541	0.7
131.04924	0.3
131.08621	0.3
132.04546	0.4
132.08109	0.3
134.05983	2.4
135.06847	0.3
136.07596	2.5
137.06010	0.8
137.07127	3.2
137.13251	0.3
139.12236	0.5
140.10745	0.3
141.10258	0.4
141.13873	0.3
144.08093	0.4
145.10152	0.3
146.06006	17.1
147.06343	0.6
148.07616	0.3
149.13303	0.3
151.11067	0.2
151.12283	0.3
152.08224	0.6
153.07062	0.3
153.08983	2.1
153.13890	0.4
159.11850	0.3
160.11272	0.5
162.05525	1.0
167.07022	0.6
167.11821	0.6
169.13368	11.0
170.09721	0.8
170.13853	0.3
172.11215	6.7
172.12637	0.5
173.05989	0.3
173.11655	0.3
174.05533	1.3
174.12808	0.9
179.08572	0.3
179.11864	0.3
180.11316	0.4
180.12671	0.7
181.05064	0.3
186.12823	0.3
187.12291	6.0
188.14343	0.6
196.14525	0.3
197.12849	8.8
198.13187	0.3
199.10675	0.3
199.12364	1.1
209.08107	0.3
215.11813	1.8
216.12570	1.3
217.13362	4.5
224.10733	0.8
225.10312	0.8
230.11867	0.9
231.14935	4.0
234.09077	0.3
236.10670	1.2
241.71336	0.3
242.05612	0.3
243.11253	2.7
245.13051	0.4
247.14482	1.0
249.16074	1.0
253.13582	0.4
254.12904	0.3
257.04510	0.3
258.11346	0.5
259.14413	9.2
260.14816	0.4
273.12540	0.3
275.13800	1.4
279.75000	0.3
287.05475	1.3
287.13983	0.6
293.14874	1.5
293.28369	0.6
296.17502	0.5
298.19113	3.9
299.19519	0.4
300.59769	0.3
301.11884	0.6
316.20261	0.8
319.12894	0.7
324.17020	0.5
337.19260	1.0
342.18115	18.3
343.18396	1.7
349.19370	0.6
356.19550	0.6
384.93167	0.3
394.21558	0.6
410.21695	0.2
422.20865	0.8
438.19968	0.4
455.26532	0.3
463.26904	1.9
466.19821	1.6
491.26718	3.9
507.26111	0.6
509.10898	1.3
535.25873	0.3
560.23926	0.9
588.23639	0.8
590.33331	5.6
591.33276	0.5
629.44769	0.3
634.32336	2.1
657.29175	10.0
658.29810	1.3
749.62317	0.3
756.36029	7.4
757.36572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
54.36776	1.8
55.05521	18.7
57.07072	7.8
61.02922	3.0
67.05510	31.4
69.03434	11.4
69.07069	45.6
69.07423	4.1
79.05496	11.6
81.03436	7.0
81.07062	83.5
83.08630	19.8
85.02911	41.1
85.35916	2.3
87.00841	9.0
88.66776	1.9
91.05478	6.2
93.07043	12.9
95.08611	100.0
97.02898	13.7
97.10164	17.5
99.04455	4.9
105.01865	23.0
105.07055	5.3
107.08606	18.3
109.02888	9.8
109.10159	86.2
110.10482	2.6
111.11719	17.4
119.08591	4.8
121.10173	11.5
123.11710	38.5
125.13258	9.3
127.03905	22.9
131.08517	2.4
133.10159	4.5
135.11682	11.5
137.13263	24.0
145.04980	13.4
147.11722	2.7
149.13286	13.3
151.14827	22.1
160.73314	2.2
163.06039	13.0
163.14854	11.6
165.16412	18.7
167.07092	4.0
177.16394	4.5
179.17982	10.4
179.46364	2.1
189.16414	2.2
191.17963	8.8
193.19511	4.4
203.18031	2.5
205.19554	9.1
219.21071	9.8
231.05020	6.0
246.83710	2.0
249.05991	13.8
275.27322	42.9
276.27802	3.9
287.05566	11.4
293.24783	2.4
293.28314	7.9
311.25867	2.3
358.02750	2.4
411.27420	7.7
429.28726	3.3
478.15247	2.4
490.28680	2.6
498.48288	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
53.42361	1.6
55.01860	4.0
55.05515	17.9
57.03442	5.5
57.07074	7.6
61.02932	2.8
67.05505	20.9
69.03436	22.7
69.07070	31.1
70.06596	100.0
71.04995	4.8
71.06931	11.3
71.08665	2.7
71.30595	1.7
72.08160	15.8
73.02926	1.8
79.05502	14.8
81.03418	15.9
81.07062	58.1
82.07406	2.5
83.04989	4.5
83.08604	15.5
85.02908	57.0
85.06558	6.5
86.09706	23.1
87.00833	22.3
87.10033	2.1
91.05469	13.5
93.07048	16.2
94.07401	1.7
95.04981	6.8
95.08611	61.7
96.08994	2.0
97.02905	20.0
97.06545	6.5
97.10161	8.5
98.06078	3.0
99.04459	5.1
99.08080	4.4
103.05481	2.5
105.01875	36.2
105.07047	8.9
107.04967	3.7
107.08593	17.7
109.02900	10.8
109.06530	5.7
109.10159	43.4
111.04467	4.1
111.08095	6.5
111.11729	10.5
115.03943	4.0
115.05474	2.4
117.07011	3.1
118.06544	7.1
119.04947	3.2
119.06877	2.3
119.08585	7.6
120.08128	5.0
121.06494	3.9
121.10146	9.5
123.04449	1.8
123.08082	3.7
123.11708	24.1
125.06102	2.4
125.07096	2.6
125.09611	3.4
125.13250	10.1
126.05498	2.3
127.03919	31.7
129.06995	2.3
131.04991	1.9
131.08580	4.5
133.10078	3.7
134.06053	3.1
135.08052	2.1
135.11711	7.9
136.07567	2.6
137.06013	5.4
137.07077	3.7
137.09647	4.6
137.13263	17.4
139.14862	1.9
143.08609	2.7
144.53058	2.0
145.04968	13.8
145.06047	2.3
145.10176	5.1
146.06036	14.7
147.04436	5.4
147.06389	6.2
147.08096	2.9
147.11658	3.8
149.05992	2.1
149.09732	2.2
149.13283	13.4
149.44821	1.6
150.13599	1.7
151.03979	2.0
151.14842	9.9
153.01848	5.4
157.10127	2.6
158.18851	1.5
159.02896	2.7
159.08115	1.7
159.11726	4.5
161.04556	1.6
161.13255	3.2
163.06068	2.6
163.07523	1.9
163.14867	5.9
165.09138	3.0
165.16405	7.3
167.07028	5.3
167.14377	2.4
169.13446	9.2
169.15860	2.3
170.13739	3.9
172.11221	5.6
173.05888	2.1
173.11560	1.7
175.11263	1.7
175.12924	1.4
175.14816	3.3
177.05464	1.9
177.16376	3.5
179.17937	4.2
181.04930	2.0
187.12357	4.3
187.14845	2.1
189.04103	1.9
191.07149	2.3
191.17928	4.3
193.12202	1.7
197.12897	7.6
197.80507	1.6
198.13217	2.5
205.19537	3.0
215.11890	2.4
216.12465	2.3
217.13388	3.1
219.05051	2.5
219.21201	2.4
230.11945	1.8
231.04982	14.1
231.14894	2.2
249.06094	12.1
257.04492	3.7
259.14395	7.9
260.14789	4.4
271.06024	25.9
272.06339	2.5
275.13959	2.3
275.27371	13.1
287.05505	58.8
288.05795	4.3
291.26956	3.9
293.28400	19.3
294.28705	1.7
299.19766	3.3
303.26755	1.7
305.28302	3.5
317.28320	3.7
332.85443	1.7
342.18143	12.6
343.18573	11.8
357.20294	2.0
365.28360	2.4
371.29379	2.0
383.29111	5.4
401.30411	8.5
417.15482	3.1
419.31653	2.8
428.11813	1.9
461.32391	2.6
463.27051	1.8
466.19714	1.5
467.20483	1.9
479.10007	2.4
487.30475	8.7
488.30481	1.8
491.26697	1.7
492.26523	3.1
505.31705	7.4
523.32239	3.2
591.33539	4.3
595.14777	8.7
658.29797	8.8
694.19269	2.9
726.22034	2.9
740.07483	2.1
757.38342	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	757.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.4
53.42361	1.6
55.01860	4.0
55.05515	17.9
57.03442	5.5
57.07074	7.6
61.02932	2.8
67.05505	20.9
69.03436	22.7
69.07070	31.1
70.06596	100.0
71.04995	4.8
71.06931	11.3
71.08665	2.7
71.30595	1.7
72.08160	15.8
73.02926	1.8
79.05502	14.8
81.03418	15.9
81.07062	58.1
82.07406	2.5
83.04989	4.5
83.08604	15.5
85.02908	57.0
85.06558	6.5
86.09706	23.1
87.00833	22.3
87.10033	2.1
91.05469	13.5
93.07048	16.2
94.07401	1.7
95.04981	6.8
95.08611	61.7
96.08994	2.0
97.02905	20.0
97.06545	6.5
97.10161	8.5
98.06078	3.0
99.04459	5.1
99.08080	4.4
103.05481	2.5
105.01875	36.2
105.07047	8.9
107.04967	3.7
107.08593	17.7
109.02900	10.8
109.06530	5.7
109.10159	43.4
111.04467	4.1
111.08095	6.5
111.11729	10.5
115.03943	4.0
115.05474	2.4
117.07011	3.1
118.06544	7.1
119.04947	3.2
119.06877	2.3
119.08585	7.6
120.08128	5.0
121.06494	3.9
121.10146	9.5
123.04449	1.8
123.08082	3.7
123.11708	24.1
125.06102	2.4
125.07096	2.6
125.09611	3.4
125.13250	10.1
126.05498	2.3
127.03919	31.7
129.06995	2.3
131.04991	1.9
131.08580	4.5
133.10078	3.7
134.06053	3.1
135.08052	2.1
135.11711	7.9
136.07567	2.6
137.06013	5.4
137.07077	3.7
137.09647	4.6
137.13263	17.4
139.14862	1.9
143.08609	2.7
144.53058	2.0
145.04968	13.8
145.06047	2.3
145.10176	5.1
146.06036	14.7
147.04436	5.4
147.06389	6.2
147.08096	2.9
147.11658	3.8
149.05992	2.1
149.09732	2.2
149.13283	13.4
149.44821	1.6
150.13599	1.7
151.03979	2.0
151.14842	9.9
153.01848	5.4
157.10127	2.6
158.18851	1.5
159.02896	2.7
159.08115	1.7
159.11726	4.5
161.04556	1.6
161.13255	3.2
163.06068	2.6
163.07523	1.9
163.14867	5.9
165.09138	3.0
165.16405	7.3
167.07028	5.3
167.14377	2.4
169.13446	9.2
169.15860	2.3
170.13739	3.9
172.11221	5.6
173.05888	2.1
173.11560	1.7
175.11263	1.7
175.12924	1.4
175.14816	3.3
177.05464	1.9
177.16376	3.5
179.17937	4.2
181.04930	2.0
187.12357	4.3
187.14845	2.1
189.04103	1.9
191.07149	2.3
191.17928	4.3
193.12202	1.7
197.12897	7.6
197.80507	1.6
198.13217	2.5
205.19537	3.0
215.11890	2.4
216.12465	2.3
217.13388	3.1
219.05051	2.5
219.21201	2.4
230.11945	1.8
231.04982	14.1
231.14894	2.2
249.06094	12.1
257.04492	3.7
259.14395	7.9
260.14789	4.4
271.06024	25.9
272.06339	2.5
275.13959	2.3
275.27371	13.1
287.05505	58.8
288.05795	4.3
291.26956	3.9
293.28400	19.3
294.28705	1.7
299.19766	3.3
303.26755	1.7
305.28302	3.5
317.28320	3.7
332.85443	1.7
342.18143	12.6
343.18573	11.8
357.20294	2.0
365.28360	2.4
371.29379	2.0
383.29111	5.4
401.30411	8.5
417.15482	3.1
419.31653	2.8
428.11813	1.9
461.32391	2.6
463.27051	1.8
466.19714	1.5
467.20483	1.9
479.10007	2.4
487.30475	8.7
488.30481	1.8
491.26697	1.7
492.26523	3.1
505.31705	7.4
523.32239	3.2
591.33539	4.3
595.14777	8.7
658.29797	8.8
694.19269	2.9
726.22034	2.9
740.07483	2.1
757.38342	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	759.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.28569	0.3
67.01833	0.3
69.03413	0.4
69.17113	2.0
69.17526	0.6
70.06568	0.8
79.05498	0.5
81.07032	0.8
85.02905	0.4
91.05479	0.7
94.04168	0.9
95.04964	2.6
95.08588	0.6
105.03368	1.0
107.04932	0.5
107.08615	0.4
109.06490	0.7
115.05437	0.4
117.03379	0.8
119.08522	0.3
122.03670	1.6
123.04427	2.1
133.02798	0.6
134.03622	0.5
135.04417	0.7
136.05223	1.5
137.05981	23.8
138.06258	1.0
145.02808	1.8
145.10049	0.3
147.04335	0.4
148.05151	0.6
149.05949	0.9
150.03070	0.5
153.01830	5.0
154.02368	0.3
161.02339	0.6
163.57066	0.3
164.04703	0.9
167.07005	0.8
177.05469	6.6
194.05687	0.4
196.83452	0.4
203.03391	3.3
213.05452	1.3
221.05997	0.5
229.04976	4.5
241.04939	2.1
242.05736	4.4
253.05083	0.7
257.04456	45.2
258.05051	5.7
269.04425	1.7
270.05209	2.2
271.05975	3.5
281.04413	0.7
281.08035	0.5
285.03909	4.5
286.04709	12.9
287.05457	8.9
288.06091	0.5
297.03946	14.5
298.04343	0.7
310.04703	0.5
311.05417	0.9
333.07480	0.5
334.08289	1.0
337.03238	0.6
343.44183	0.3
344.07129	0.4
345.07666	1.1
357.07651	0.5
361.07153	1.2
362.08057	0.4
373.07074	10.9
374.07684	1.3
389.06494	2.2
390.07300	0.7
391.08118	1.0
401.06555	14.5
402.07117	1.9
403.07657	0.5
405.09637	0.9
417.06335	0.4
418.06726	2.8
419.07550	0.7
429.05811	0.6
433.09213	5.5
435.10788	8.6
436.11310	0.6
446.06342	3.4
461.08679	13.1
462.08981	1.4
479.09781	17.0
480.09909	2.2
595.08173	0.4
597.12378	100.0
598.12726	10.4
704.16077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.5
55.01834	1.4
55.05484	0.5
57.03413	0.5
67.01839	0.6
67.05487	0.6
68.99785	0.6
69.03405	0.9
70.06560	0.9
70.53291	0.9
70.53660	0.8
71.01369	3.3
73.02884	1.0
76.66460	0.4
79.05449	0.6
81.03390	0.6
81.07024	0.8
83.01341	0.6
85.02869	1.5
89.02340	0.9
91.05457	0.7
91.67619	0.4
93.07002	0.6
95.04943	1.2
95.08586	0.7
97.02864	0.5
101.02386	0.7
103.05389	0.5
105.07008	0.6
107.08553	0.5
119.08531	0.8
121.10114	0.8
127.03898	0.9
131.04910	0.5
133.06482	0.5
137.05905	1.8
145.04951	0.6
151.03928	4.0
153.01831	27.2
154.02130	0.7
161.05972	0.7
165.06956	1.0
167.07045	0.8
169.06560	0.5
173.02289	0.5
177.05353	0.6
191.03348	1.2
191.07043	0.9
193.06490	2.2
193.08543	0.5
197.05969	1.4
203.03426	0.8
205.08601	0.7
207.04442	0.5
207.06467	0.5
209.05946	1.2
210.06744	2.1
213.05484	0.7
219.17227	0.7
221.05956	4.2
225.05409	1.1
235.07610	0.6
237.05490	13.1
238.06161	3.4
242.05695	0.7
243.06306	0.5
249.05492	2.6
250.05942	0.4
253.04997	1.9
253.08577	3.0
254.05559	0.5
257.04355	0.5
263.03546	0.7
265.04956	28.2
266.05640	5.3
269.04349	0.6
271.05945	1.1
276.05569	0.5
281.04462	20.2
281.08069	33.2
282.05090	3.8
282.08441	1.9
283.05972	3.6
287.05621	0.8
293.04404	8.8
293.07401	0.4
297.04099	0.6
298.04742	1.3
309.04166	2.4
310.04642	4.8
311.05484	100.0
312.05844	6.5
316.07465	0.5
337.03433	73.3
338.03769	5.8
344.06793	1.0
345.07568	1.0
355.06119	3.1
361.07037	0.8
372.06363	1.7
373.07166	3.8
383.05603	1.8
384.06177	0.8
387.08737	0.5
389.06528	0.5
390.07242	1.0
400.05823	1.7
401.06528	6.7
402.06641	0.6
405.09775	2.3
415.08273	1.2
417.06030	4.4
418.06900	4.7
419.07300	1.1
433.09195	29.9
434.09503	2.5
435.10770	1.1
461.08713	3.3
473.07669	0.8
479.09631	2.8
561.10236	0.8
579.11340	12.5
580.11804	1.6
597.12378	77.5
598.12799	8.6
628.44092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01853	0.4
61.95638	0.2
65.03930	0.4
66.98180	0.3
67.01843	0.3
67.05474	0.6
69.03413	0.5
69.07051	0.3
71.04947	0.3
71.31470	0.4
72.08124	0.3
73.73132	0.2
75.54187	0.3
77.03949	0.3
79.05465	1.0
80.14082	0.2
81.03413	0.4
81.07044	0.6
83.04956	0.4
85.02870	1.0
86.09674	0.3
89.03880	0.3
90.07532	0.3
91.05454	1.0
93.07024	0.6
93.71737	0.3
94.04143	0.8
95.04963	3.2
95.08607	0.6
97.02881	0.3
97.06514	0.3
105.03370	0.5
105.07005	0.5
105.07698	0.2
107.04932	0.9
109.02816	0.3
109.06506	0.6
115.05442	0.2
117.03335	0.7
117.06966	0.3
118.04091	0.3
119.04838	0.3
120.77267	0.2
121.06496	0.6
121.10165	0.2
122.03659	1.5
123.04443	1.9
123.08030	0.3
125.05966	0.4
127.03896	0.3
131.08577	0.3
133.02818	0.7
134.03629	0.5
135.04367	0.6
136.05159	1.0
136.09464	0.2
136.33359	0.3
137.05977	22.8
138.06253	1.0
141.01839	0.4
145.02875	1.5
147.04376	0.4
148.05167	0.4
149.05994	1.2
150.03082	0.5
150.06740	0.5
153.01834	5.4
161.02281	0.5
161.05898	0.4
162.03038	0.4
163.03906	0.3
163.07510	0.4
164.04646	1.1
165.06979	0.3
167.07033	1.8
168.04172	0.6
173.05930	0.3
175.11090	0.3
176.04715	0.3
177.03973	0.5
177.05470	5.4
181.04924	0.9
191.06989	0.8
193.06512	0.3
194.05763	0.5
195.33275	0.3
201.05508	0.3
203.03377	3.3
205.08710	0.4
213.05440	1.4
221.05963	0.5
221.07979	0.4
227.01773	0.5
229.04958	3.1
230.05211	0.3
232.80293	0.3
238.06204	0.3
241.04997	2.5
242.05717	4.3
251.07185	0.3
253.04974	1.0
254.05507	0.2
257.04449	43.7
258.05051	5.0
259.05765	0.3
269.04413	1.7
270.05161	2.5
271.05951	2.5
281.04608	0.6
281.08044	0.4
285.00961	0.4
285.03915	3.9
286.04703	13.0
287.05453	9.2
288.05786	0.3
297.03940	14.1
298.04199	1.0
305.07925	0.5
310.04596	0.5
311.05502	0.6
312.08447	0.4
334.08224	0.8
337.03391	0.4
337.10510	0.3
345.07550	1.1
361.07074	0.9
362.07690	0.6
373.07074	11.4
374.07562	1.6
375.08542	0.4
389.06537	2.4
390.07190	1.1
391.08139	1.1
399.14459	0.4
401.06564	14.5
402.06989	2.5
403.07886	0.5
405.09726	0.6
417.05972	0.6
418.06851	2.3
419.07581	1.0
420.08417	0.5
429.06015	0.5
433.09225	6.0
434.09692	0.6
435.04846	0.4
435.10754	9.0
436.11200	0.6
441.16440	0.3
446.06372	3.5
447.06531	0.4
451.10437	0.4
461.08676	13.7
462.09024	1.8
479.09744	18.3
480.09988	2.0
551.11371	0.3
561.10028	0.6
579.11304	0.3
597.12360	100.0
598.12726	11.2
759.17572	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	0.5
55.01834	1.4
55.05484	0.5
57.03413	0.5
67.01839	0.6
67.05487	0.6
68.99785	0.6
69.03405	0.9
70.06560	0.9
70.53291	0.9
70.53660	0.8
71.01369	3.3
73.02884	1.0
76.66460	0.4
79.05449	0.6
81.03390	0.6
81.07024	0.8
83.01341	0.6
85.02869	1.5
89.02340	0.9
91.05457	0.7
91.67619	0.4
93.07002	0.6
95.04943	1.2
95.08586	0.7
97.02864	0.5
101.02386	0.7
103.05389	0.5
105.07008	0.6
107.08553	0.5
119.08531	0.8
121.10114	0.8
127.03898	0.9
131.04910	0.5
133.06482	0.5
137.05905	1.8
145.04951	0.6
151.03928	4.0
153.01831	27.2
154.02130	0.7
161.05972	0.7
165.06956	1.0
167.07045	0.8
169.06560	0.5
173.02289	0.5
177.05353	0.6
191.03348	1.2
191.07043	0.9
193.06490	2.2
193.08543	0.5
197.05969	1.4
203.03426	0.8
205.08601	0.7
207.04442	0.5
207.06467	0.5
209.05946	1.2
210.06744	2.1
213.05484	0.7
219.17227	0.7
221.05956	4.2
225.05409	1.1
235.07610	0.6
237.05490	13.1
238.06161	3.4
242.05695	0.7
243.06306	0.5
249.05492	2.6
250.05942	0.4
253.04997	1.9
253.08577	3.0
254.05559	0.5
257.04355	0.5
263.03546	0.7
265.04956	28.2
266.05640	5.3
269.04349	0.6
271.05945	1.1
276.05569	0.5
281.04462	20.2
281.08069	33.2
282.05090	3.8
282.08441	1.9
283.05972	3.6
287.05621	0.8
293.04404	8.8
293.07401	0.4
297.04099	0.6
298.04742	1.3
309.04166	2.4
310.04642	4.8
311.05484	100.0
312.05844	6.5
316.07465	0.5
337.03433	73.3
338.03769	5.8
344.06793	1.0
345.07568	1.0
355.06119	3.1
361.07037	0.8
372.06363	1.7
373.07166	3.8
383.05603	1.8
384.06177	0.8
387.08737	0.5
389.06528	0.5
390.07242	1.0
400.05823	1.7
401.06528	6.7
402.06641	0.6
405.09775	2.3
415.08273	1.2
417.06030	4.4
418.06900	4.7
419.07300	1.1
433.09195	29.9
434.09503	2.5
435.10770	1.1
461.08713	3.3
473.07669	0.8
479.09631	2.8
561.10236	0.8
579.11340	12.5
580.11804	1.6
597.12378	77.5
598.12799	8.6
628.44092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
54.52108	0.1
55.05516	0.2
55.56519	0.1
67.01852	0.4
67.05494	0.5
68.99812	0.4
69.03439	0.3
69.06372	0.6
69.06788	0.4
69.07069	0.2
79.05500	0.5
81.03420	0.4
81.07079	0.9
81.07491	0.2
83.08619	0.2
85.02879	0.2
87.74677	0.1
89.03862	0.1
89.86664	0.1
91.05450	0.3
91.18486	0.1
93.07034	0.5
95.04988	0.2
95.08601	0.5
97.02876	0.3
97.06535	0.2
98.23483	0.1
105.04542	0.2
105.07046	0.6
107.04988	0.2
107.08592	0.3
109.02879	0.4
109.06534	0.1
109.10143	0.3
117.03345	0.2
117.07039	0.1
119.08559	0.3
121.10146	0.3
123.11739	0.2
125.09672	0.1
127.03893	0.4
131.08592	0.2
133.10129	0.4
135.04411	1.4
137.02353	0.4
145.10172	0.2
147.11665	0.2
149.13306	0.3
153.01833	4.4
159.11716	0.3
161.02361	0.8
163.11172	0.2
171.02907	0.9
179.03426	0.4
184.07324	0.1
195.13826	0.4
213.05484	0.1
219.06567	0.3
226.45546	0.1
241.05005	0.5
245.04433	0.2
257.18896	0.2
259.05920	0.2
269.04477	0.3
275.20062	1.1
287.05502	100.0
288.05853	5.8
288.08508	0.1
293.20959	0.1
299.05487	0.6
323.05429	0.2
329.06461	0.2
339.17816	0.2
493.31635	0.2
643.23834	0.7
644.95667	0.1
705.27979	0.1
723.29199	0.2
758.58820	0.2
759.40106	0.7
759.55341	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	760.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01867	1.1
59.51343	0.5
61.02917	0.6
61.51757	0.5
65.03942	0.5
65.98356	0.5
69.03428	3.0
69.10503	4.2
70.06609	1.2
71.05000	0.7
72.08134	0.7
73.00172	0.5
78.04737	0.8
79.05489	2.8
81.03423	8.1
85.02911	8.2
86.09715	1.5
91.05457	2.5
92.74030	0.5
93.07028	0.6
93.97476	0.5
95.04958	1.3
97.02900	4.3
103.05463	2.1
105.07048	1.1
107.04960	8.9
107.46805	0.5
109.02906	0.8
115.05460	6.7
117.07028	17.0
119.04918	1.1
123.04456	2.9
124.05200	0.9
125.06017	0.6
127.03932	1.8
127.05423	0.6
128.06232	1.1
129.07004	2.2
129.10112	0.5
130.04150	1.2
131.04916	1.6
131.08583	3.1
132.05716	0.6
133.06497	1.2
137.05959	0.9
141.06992	2.1
143.04955	0.8
144.05684	2.7
145.05058	1.6
145.06494	36.2
146.06834	1.4
147.04414	1.2
147.08081	1.1
151.03932	0.7
152.04698	1.2
153.05432	0.9
155.06013	6.1
155.07097	0.7
156.05693	6.7
157.06561	2.6
159.08067	5.2
160.05209	0.6
161.06006	3.1
162.07646	1.9
163.03972	0.7
167.07050	40.6
168.07384	1.3
169.07632	1.0
172.05220	0.7
173.05991	65.1
174.06346	3.5
175.03885	1.1
175.07570	1.5
177.05452	0.8
179.06990	1.1
180.08669	2.3
181.04871	0.8
181.08571	0.6
183.06549	0.6
184.05208	1.9
185.05975	0.7
186.06639	0.6
187.07550	6.0
188.07947	0.7
190.06253	39.8
191.06758	2.9
193.08643	1.4
202.06247	4.3
203.07005	6.7
204.07698	1.0
205.08607	100.0
206.08908	4.5
207.06485	1.7
215.07014	1.3
217.08609	43.1
218.08978	2.4
219.08189	0.9
219.10162	3.8
220.08795	0.7
223.09637	3.1
231.07982	2.0
231.10091	0.9
235.09647	29.7
236.04605	0.6
236.10059	1.0
237.09270	0.7
246.06630	0.5
247.07487	1.4
247.09703	7.9
248.08351	1.0
249.09200	0.5
255.06592	0.6
263.10736	0.9
264.07813	1.0
265.10739	45.4
266.11032	1.8
268.10754	0.6
269.08151	2.0
271.09622	1.7
275.06812	0.9
276.07718	0.8
277.08429	0.8
279.10147	0.7
282.08731	0.7
290.09180	0.7
291.10068	1.8
293.08081	1.5
299.09085	0.7
307.09717	1.2
308.10516	1.1
311.12802	0.7
315.08664	4.7
319.09491	0.8
323.12717	2.2
330.10950	7.1
331.11758	3.0
336.09933	0.9
337.10773	1.0
339.12128	1.7
343.11728	1.2
351.12259	3.4
352.13004	0.7
353.10306	0.7
354.62024	0.6
368.12610	1.5
369.13202	1.1
371.14890	2.1
383.14859	9.9
384.15161	0.8
401.15988	14.5
402.16415	1.0
637.88654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.7
66.72341	0.5
67.05437	1.4
69.03377	1.0
69.07007	0.9
70.50200	1.2
71.07616	0.5
79.05460	0.7
81.03375	0.6
81.06975	2.0
83.04929	0.9
83.08550	0.9
85.02844	1.1
91.05436	0.8
92.74513	0.5
93.06997	0.9
95.08516	2.0
97.02801	0.7
105.06957	1.1
107.08528	0.9
109.02800	1.0
109.10101	0.9
119.08488	1.1
127.03792	1.4
129.33386	0.5
135.11595	0.7
137.05885	1.3
143.08382	0.5
149.09506	0.6
151.03831	1.2
151.77242	0.5
161.02843	1.4
167.06955	0.5
181.04843	0.8
185.04213	0.9
201.03679	1.2
203.05307	8.0
221.04912	0.7
227.05176	0.7
245.06340	7.6
248.64915	0.5
287.05359	0.8
289.05289	36.1
290.05573	1.4
477.31482	1.1
495.32907	72.5
496.33261	6.8
497.34692	0.7
513.33936	13.0
514.34320	0.7
537.96643	0.6
555.35236	0.8
581.33002	8.7
582.32947	1.4
599.34332	2.0
651.97644	0.7
675.39221	1.5
717.40234	17.6
718.40656	2.0
743.38660	1.7
761.39282	100.0
762.39569	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	764.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
55.05518	1.4
56.69598	0.8
57.03457	1.4
58.34690	0.8
59.61493	0.8
61.02956	0.7
65.03946	1.8
67.05517	3.8
69.03432	4.1
69.07079	1.8
71.04986	0.8
71.30425	0.7
71.30978	1.0
73.02947	1.0
75.04472	1.1
79.05498	3.8
81.03416	4.4
81.07065	5.5
83.04990	1.3
83.08635	0.8
85.02912	7.8
85.06543	1.2
86.06062	1.5
91.05495	6.1
93.03421	0.9
93.07046	4.3
94.04186	2.0
95.04974	4.1
95.08608	2.7
96.08176	0.8
97.02918	2.9
97.06562	2.5
99.04460	1.9
103.05476	16.6
105.03358	1.4
105.07036	6.8
107.04980	4.7
107.08623	2.1
108.02116	1.9
109.02896	3.1
109.06528	2.6
109.10179	0.8
110.03722	0.9
111.04467	1.1
115.05473	3.7
117.07040	3.8
118.04193	2.4
119.04953	6.2
119.08586	2.4
121.02926	0.9
121.06519	4.4
121.10157	1.5
122.03648	5.0
123.04456	2.2
125.06023	3.1
127.03917	2.8
129.06961	1.9
131.04930	32.4
131.08566	1.6
133.02847	4.8
133.06528	4.2
133.10081	1.3
135.08052	2.1
137.05981	69.7
137.84402	0.8
138.06339	2.1
139.07584	1.3
142.08655	1.3
143.04956	2.7
145.04973	0.8
145.06502	4.1
146.51172	0.9
147.04436	4.8
147.08127	1.3
147.11696	3.2
148.05194	6.8
149.05986	2.5
151.03912	78.5
151.04951	4.6
151.07533	1.8
151.11186	1.6
152.04277	2.1
153.05493	3.4
157.06459	2.4
159.04384	1.1
159.08109	1.2
160.05205	1.8
161.04619	1.4
161.05986	4.5
163.07536	18.4
165.05493	3.1
165.09274	1.1
167.07047	10.4
169.12257	1.2
171.04469	1.6
173.06035	4.2
175.07576	8.7
175.11154	1.4
176.04735	1.3
177.05504	4.8
177.09093	1.0
177.79073	0.9
179.07085	7.8
179.08536	1.4
181.04971	22.7
181.08522	1.0
182.05319	1.1
187.06113	1.0
187.07523	4.6
189.05415	1.6
189.09100	2.9
190.06200	1.0
191.07036	100.0
192.07399	4.1
193.08649	2.5
193.12242	2.3
195.08278	0.9
199.11398	1.0
201.09128	1.0
203.07040	5.8
205.06776	1.4
205.08516	4.7
209.08089	3.6
210.18542	5.1
211.13329	2.0
212.16455	7.9
217.08604	2.2
217.12114	1.3
219.08167	1.8
219.10208	2.0
223.07500	0.9
231.06398	1.0
233.08086	3.3
234.06873	1.5
235.07594	1.9
235.09743	4.3
235.13361	2.3
236.16389	4.4
237.09172	1.8
245.08217	1.5
249.09065	1.9
250.06223	1.3
253.14464	2.1
254.17575	2.3
263.09155	20.0
265.08664	2.5
267.10199	1.1
272.18579	19.9
273.19000	0.9
277.08752	2.4
279.10226	0.9
287.05637	1.1
295.09583	1.4
297.11182	1.7
307.09552	1.7
309.11032	1.1
325.10684	2.5
327.12405	3.5
337.10770	3.6
339.12350	3.4
341.13971	1.7
342.14340	1.0
351.12262	2.4
355.11771	11.1
357.13367	2.3
359.14957	1.1
369.13297	9.1
371.17105	1.0
374.21725	8.5
387.14377	47.9
388.14636	3.7
415.75314	1.1
434.23807	9.4
435.24399	1.3
517.18408	1.8
549.21289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03437	1.6
65.03616	1.2
65.03944	20.8
66.21667	0.8
67.05520	5.0
69.03439	4.5
70.06602	5.0
71.04990	1.0
71.31779	1.3
75.04480	1.4
79.05495	3.2
81.03412	1.7
81.07069	1.6
82.04190	3.1
84.08194	1.4
85.02916	8.0
86.09732	1.5
88.71117	0.9
91.05473	6.4
93.03416	10.3
93.07055	2.2
95.01320	2.7
95.04965	4.1
95.08578	1.5
97.02885	3.7
97.06534	3.3
103.05472	4.6
105.07036	4.8
105.94244	1.1
107.04973	3.9
107.08575	1.3
108.02086	1.7
109.02894	1.8
109.06507	1.2
110.03667	20.4
110.07186	1.3
111.04446	27.4
115.05459	3.0
117.06995	1.3
118.04199	0.9
119.04961	6.3
119.08552	1.6
120.08125	1.9
121.02866	12.8
121.06532	2.8
121.10162	1.5
122.03669	1.6
123.04428	2.0
124.05205	1.0
125.05997	27.0
126.43375	1.0
127.03918	3.9
128.06219	2.0
129.07004	2.9
129.10236	1.0
131.04942	8.0
133.02834	4.5
133.06480	2.7
135.04384	2.4
137.05981	14.3
138.03108	3.1
143.04967	1.5
144.05696	1.2
145.04965	1.3
145.06487	3.7
146.07230	1.0
147.04411	6.1
147.08046	1.8
149.06010	3.7
151.07559	3.9
153.05473	100.0
154.05835	2.4
154.19365	1.0
155.59256	1.0
158.07320	1.3
159.08060	9.1
161.05966	6.4
161.09616	1.8
162.06644	1.5
163.03911	4.3
163.07553	9.7
165.06958	1.9
167.07056	29.6
167.08310	1.1
167.10808	0.9
171.04376	1.9
172.05263	1.3
174.06708	1.6
175.07559	7.9
177.05478	4.8
177.06911	1.1
178.07729	1.3
179.07051	5.2
179.08479	2.1
181.04959	3.7
181.06418	1.8
181.37476	0.9
183.08020	1.0
185.06027	2.2
186.06798	8.8
187.07541	8.9
189.05434	2.2
189.06987	1.5
189.09174	1.2
190.07799	1.8
191.06999	2.4
191.08600	3.8
193.06551	1.9
193.08592	2.3
194.07245	1.5
195.08023	3.4
197.06018	1.4
197.09676	1.2
199.07550	2.7
202.07831	1.3
203.08626	1.5
205.06639	2.3
205.08565	2.8
207.06429	1.3
207.08247	1.9
207.10126	1.3
208.08842	1.9
209.07935	1.8
209.09711	2.5
210.06767	1.9
211.07484	1.8
212.16399	1.6
215.14259	1.2
216.07767	6.2
217.08623	1.7
218.07230	1.7
219.08054	6.7
220.08809	3.2
221.05975	3.1
221.09596	3.4
222.06593	1.3
223.07599	3.7
223.11182	1.2
225.09074	3.3
226.06248	2.1
229.08643	3.5
231.08167	1.0
233.05896	1.7
234.06685	1.7
235.07555	5.4
236.08337	8.7
237.09081	3.6
238.06314	1.5
239.07050	4.1
239.10622	2.0
246.06673	1.8
247.07504	4.5
247.09721	9.3
248.08214	2.9
249.05402	1.6
249.09138	3.1
251.07013	1.9
251.10675	12.3
252.07663	1.6
252.11412	1.6
253.08588	11.0
254.09282	3.3
255.09972	1.2
261.09244	2.5
263.07034	2.6
264.07849	8.5
265.08640	8.5
266.09348	2.1
267.10110	3.7
268.07233	1.5
268.10846	2.6
269.11734	4.4
275.07138	2.2
276.07947	2.5
277.08771	5.6
278.09348	2.2
279.10214	8.5
280.10651	1.5
281.08096	3.0
281.11771	4.5
282.08783	3.4
283.09714	2.9
283.13281	8.1
284.13519	1.2
287.05518	1.4
289.08469	1.8
291.10242	1.7
292.07303	3.8
292.10864	1.1
293.08069	4.1
293.11279	1.6
294.08826	1.9
295.09717	2.4
296.10281	2.8
297.11298	7.2
307.09674	28.0
308.10080	4.4
309.11160	5.7
311.09326	2.1
311.12683	10.0
319.09735	2.4
321.10956	1.1
323.12665	1.9
325.10709	41.4
325.14551	2.4
326.11148	5.5
327.12198	1.4
329.13821	1.4
337.10538	3.3
337.14478	1.0
339.12286	96.9
340.12680	9.2
341.13895	11.7
351.12256	9.4
353.13831	4.0
355.11774	1.4
357.13315	57.8
358.13858	4.5
369.13409	8.6
370.14191	2.0
371.14975	1.3
387.14420	4.3
489.18918	1.9
501.18829	1.4
517.18024	1.6
765.33691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05490	1.0
56.75789	0.7
57.03436	1.1
60.98898	0.7
65.03944	18.3
67.05507	3.4
69.03428	3.8
69.07066	1.0
70.35355	1.9
71.04987	0.7
72.08133	0.7
73.02919	1.1
74.27921	0.6
79.05495	2.8
81.03416	3.8
81.07037	2.6
82.04177	4.3
83.04986	1.7
84.38049	0.8
85.02898	7.0
86.06054	3.6
91.05487	6.1
93.03410	13.8
93.07034	2.1
94.01303	0.7
95.01333	3.2
95.04993	3.4
95.08612	0.9
95.97261	0.8
96.08121	2.0
97.02888	2.7
97.06528	1.9
98.06042	1.4
99.04436	1.6
103.05482	2.0
105.04525	0.8
105.07022	3.7
106.04207	1.4
107.04967	3.9
107.08596	1.5
108.02093	2.1
108.08115	1.0
109.02920	1.2
109.06491	1.3
110.03661	17.2
111.04450	19.0
115.05447	1.9
116.10704	2.5
117.06997	1.4
119.04938	4.0
119.08571	1.3
121.02862	13.6
121.06511	2.5
121.10121	1.1
123.04421	0.9
124.05204	0.8
125.05991	22.7
127.03930	2.3
129.07027	2.1
131.04918	3.4
133.02864	4.8
133.06523	2.0
133.10191	1.0
135.04433	1.5
137.05978	13.8
138.03171	1.4
142.08635	2.9
143.05016	0.9
144.05640	1.2
145.04965	0.9
145.06476	2.9
146.07217	1.4
147.04405	4.6
147.08012	0.8
147.11673	2.4
149.05963	2.2
151.03929	2.7
151.07523	2.1
153.05466	100.0
154.05801	2.4
159.08047	3.9
160.05127	1.1
161.05960	6.1
163.03883	1.6
163.07542	1.5
165.05522	1.6
165.07001	1.9
167.05759	1.3
167.07063	13.5
167.08482	0.7
173.09662	0.7
174.06750	1.4
175.07520	7.0
175.11139	1.3
177.05443	2.3
178.07718	1.1
179.07010	4.3
179.08470	1.6
181.04964	1.9
181.06488	1.1
181.08580	0.9
186.06740	1.4
187.07556	3.1
189.05428	0.9
189.07043	0.9
189.09039	0.9
190.07729	1.4
191.07042	2.2
191.08592	2.0
192.09462	0.9
192.13971	1.1
193.08588	1.3
193.12105	0.8
194.07201	2.0
195.08067	2.5
196.08887	0.9
197.08105	0.8
197.09715	1.2
199.07571	1.8
203.06935	1.4
203.08617	1.1
204.07762	0.9
205.06465	1.7
205.08531	1.5
206.07277	1.9
207.08154	1.8
208.08826	2.4
209.06052	1.0
209.08072	2.5
209.09781	1.0
210.06712	1.2
211.07579	2.8
212.16440	16.7
215.06987	0.9
216.07806	4.7
217.08516	1.6
218.07274	1.4
219.08052	4.8
220.08821	2.3
221.06038	1.8
221.09579	1.9
222.06682	1.0
223.07520	3.2
224.08319	2.7
225.09088	3.6
226.06203	2.0
226.09897	1.5
229.08583	2.8
233.15135	0.8
234.06746	1.5
235.07500	3.2
236.08342	3.3
236.16438	3.9
237.09155	3.0
238.06209	1.3
238.09683	0.9
239.06992	4.6
239.10698	2.8
240.07864	1.6
241.08818	0.9
247.07463	3.2
247.09695	12.4
248.08217	1.3
249.05362	1.1
249.09058	2.4
250.09727	1.0
251.06879	1.6
251.10725	4.9
252.07668	1.7
253.08611	11.0
254.09308	4.4
254.17511	10.1
255.10007	1.1
259.07474	0.8
261.09052	1.5
263.07153	1.4
264.07816	3.0
265.08612	4.4
266.09360	1.6
267.06485	0.7
267.09872	1.6
268.07068	1.0
269.08966	0.8
269.11710	5.4
270.08929	1.1
272.18582	18.5
276.07870	1.4
277.05209	0.9
277.08615	2.6
278.09253	1.8
279.06900	1.1
279.10187	3.9
281.08096	1.1
281.11768	1.5
282.08923	4.4
283.09570	2.7
285.11203	0.9
291.10165	1.3
292.07449	0.8
293.08066	2.3
293.11661	0.8
294.08817	2.6
295.09662	3.2
296.10507	1.0
297.11227	8.3
307.09656	13.6
308.10248	2.9
309.11145	3.1
311.09058	2.2
311.12558	1.3
313.10956	1.0
319.09741	2.1
321.11105	1.1
323.12677	1.1
325.10693	51.6
326.11179	4.9
326.23251	1.2
327.12210	1.7
329.13770	1.9
337.10632	3.0
339.12280	33.6
340.12781	4.3
341.13864	7.0
351.12390	7.7
355.11783	2.0
357.13315	63.8
358.13840	3.6
359.15033	1.2
369.13229	8.4
370.14059	1.3
374.21716	20.1
375.22089	1.2
387.14291	5.4
422.28903	1.3
434.23810	4.4
440.29846	3.3
466.97546	0.9
489.19305	1.8
499.17462	0.9
501.19031	1.0
537.21021	0.8
602.35065	2.6
764.29260	1.2
764.40894	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.8
55.05499	1.7
56.05016	0.6
57.03434	2.8
57.35204	0.6
59.84354	0.7
61.02929	2.9
62.06062	1.8
65.03937	4.7
67.05497	3.8
69.03091	0.9
69.03429	10.7
69.07064	4.2
70.06595	1.0
71.04965	1.2
71.31254	0.7
71.31627	0.8
73.02927	3.1
79.05486	3.5
81.03430	5.2
81.05810	0.7
81.07037	4.9
83.04957	1.8
83.08626	0.9
84.04445	0.6
84.08152	1.0
85.02902	21.6
85.06557	1.3
86.06064	15.3
87.04463	5.6
91.05477	3.9
93.03386	3.3
93.07015	2.1
95.01284	0.9
95.04932	2.0
95.08569	2.7
96.08134	6.8
97.02889	7.8
97.06500	2.1
98.06054	3.3
98.09695	1.0
99.04469	5.0
103.05418	0.9
105.07031	3.7
107.04948	1.6
107.08576	2.8
108.02062	1.0
108.08102	2.7
109.02865	3.5
109.06512	1.8
109.10148	2.2
110.03677	4.7
110.09639	1.5
111.04439	5.5
114.09130	0.7
115.05419	1.2
116.10735	5.4
119.04915	1.7
119.08540	2.7
120.08015	0.6
121.02831	1.1
121.06503	0.7
122.09643	1.4
123.08041	1.1
123.11700	1.1
124.07582	2.3
125.05990	5.1
127.03919	6.0
129.06978	1.7
131.04926	1.2
131.08577	1.0
133.02809	0.8
133.06465	0.9
133.10081	2.5
134.09618	0.7
136.11122	1.5
137.05981	3.0
138.09109	2.2
140.03006	0.6
142.08636	12.9
145.04906	1.7
145.06461	0.7
145.10135	0.8
147.04372	2.1
147.11676	2.9
149.05927	0.7
151.07529	0.9
151.11186	3.8
152.10693	1.5
153.05461	25.2
154.05769	0.9
154.12241	2.5
157.10107	1.7
159.08003	2.0
161.05939	2.4
162.12711	1.0
163.07576	1.2
164.14345	1.3
165.06938	0.7
167.07036	6.6
169.12241	1.0
171.04475	1.0
174.12766	1.0
175.07506	2.3
175.11174	1.1
179.06960	1.4
181.04971	1.1
186.06772	3.5
187.07507	2.6
191.06960	0.8
191.08586	0.7
192.13766	1.6
193.12315	0.6
194.15439	3.0
199.07431	1.2
208.16960	2.7
210.15274	0.8
210.18518	20.6
211.07510	0.7
211.13211	0.6
211.18858	1.2
212.16444	92.8
213.16748	3.9
216.07761	0.9
219.08037	2.2
220.08739	1.2
221.06076	1.5
221.09525	1.0
223.07492	0.8
225.09195	0.7
229.08495	1.2
233.05931	0.7
234.06697	0.8
235.07529	1.4
236.08386	2.9
236.16440	15.7
237.09117	1.0
237.16806	1.1
246.06766	0.8
247.07471	0.9
247.09732	1.3
249.09074	2.1
251.10722	4.1
252.11281	1.3
253.08536	1.7
254.17542	12.8
263.07098	1.0
264.07849	3.2
265.08511	1.8
268.10950	0.8
272.18546	100.0
273.18890	5.0
275.07040	0.8
276.07852	0.9
277.08490	2.1
278.09167	0.9
279.10147	4.2
280.10782	0.9
281.08203	0.8
281.11789	0.9
283.09729	1.0
283.13318	3.1
287.05392	1.1
290.19635	1.4
294.08655	0.9
296.10516	0.6
297.11255	1.0
307.09628	10.3
308.10297	2.4
309.11038	2.9
311.12701	3.9
321.11285	0.8
325.10596	5.2
326.10989	1.0
327.12399	0.7
337.10358	0.7
339.12234	37.3
340.12595	3.2
341.13858	2.4
351.12161	2.7
353.13846	1.1
357.13354	7.2
369.13162	1.3
370.13904	0.8
374.21713	97.9
375.22018	7.4
422.28937	0.7
434.23837	33.8
435.24142	2.4
440.20786	0.7
440.30005	13.1
441.30194	1.2
488.61603	0.7
489.19116	1.0
498.41763	0.7
502.20508	0.8
536.26947	1.1
596.29126	5.2
602.26624	1.1
602.35345	10.9
603.35681	1.7
764.40594	8.7
765.40991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.2
55.05520	26.4
57.03452	5.1
57.07087	6.8
61.05941	2.8
65.03963	3.6
67.05506	100.0
68.89290	2.8
69.03435	7.9
69.07082	19.8
70.71092	2.9
71.04989	6.1
79.05495	98.6
80.68293	2.9
81.03429	13.0
81.07060	87.9
81.07529	6.1
83.05003	6.0
83.08621	12.4
85.02916	13.3
85.06561	7.6
91.05484	51.5
93.07050	97.2
95.04987	8.0
95.08608	62.2
97.02888	7.6
97.06578	4.9
97.07728	3.2
97.10155	3.8
101.51358	3.0
105.07031	46.2
107.08599	43.7
107.09278	3.7
109.06499	4.7
109.10156	37.1
111.04459	4.2
111.08095	4.4
117.07035	20.9
119.08585	34.8
121.10150	52.5
123.08043	3.6
123.11716	20.4
123.16071	3.5
125.09684	3.6
127.03896	4.3
129.05502	3.5
129.07014	7.3
130.11986	3.0
131.08583	37.1
133.10127	30.9
134.10570	3.7
135.11703	49.8
137.09630	5.7
137.13336	6.6
138.21638	2.9
139.89372	2.9
143.08521	4.8
145.10143	28.5
147.08015	3.7
147.11705	23.5
149.13257	28.8
151.11259	4.7
155.08659	5.4
157.10139	9.7
158.79977	3.1
159.11708	27.2
161.13258	13.0
163.11223	4.5
163.14790	5.0
163.73323	2.9
169.10095	4.8
171.11760	8.2
173.13275	19.1
175.14777	4.0
177.12621	3.6
177.16438	4.3
181.12181	4.5
185.13359	5.2
187.14857	8.9
205.19527	7.0
215.17946	49.4
220.51648	3.5
233.18964	41.6
234.19400	3.2
234.69766	3.0
243.21126	8.0
251.19931	4.3
259.20551	6.5
261.22168	27.5
263.75531	3.2
273.22263	3.5
277.21530	3.6
303.23145	5.4
307.22601	16.6
325.23810	6.4
327.23285	4.0
335.25986	5.2
351.23117	4.4
369.24295	9.3
387.25293	6.6
405.26218	6.6
459.12854	3.0
496.53271	3.1
652.45795	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05512	29.7
57.03437	18.2
57.07078	2.7
59.83211	1.7
61.02927	3.7
61.17803	1.7
65.03941	4.5
67.05508	100.0
68.05839	1.9
69.07074	25.2
71.04993	3.1
72.74883	1.7
73.04264	1.4
79.05499	84.7
80.05839	2.1
81.03414	1.9
81.07061	92.6
81.98154	1.4
82.07384	2.2
83.04974	2.1
83.08626	14.4
85.02901	2.9
85.06558	4.6
91.03976	2.4
91.05483	46.2
93.07050	88.8
94.07371	1.9
95.04975	6.0
95.08611	71.4
97.02895	4.2
97.06540	3.4
97.10172	3.4
98.18413	1.7
99.08071	4.0
105.07037	39.2
107.08598	36.2
109.06561	2.9
109.10155	25.9
111.08085	2.6
117.07016	13.3
119.06083	2.3
119.08585	25.8
121.10160	34.5
123.08106	3.0
123.11716	9.1
129.07002	3.6
131.08575	19.2
133.10146	25.4
135.11694	31.7
143.08574	2.1
145.10147	16.3
147.11678	13.4
149.13255	13.1
157.10202	4.3
159.11713	12.0
161.13268	9.3
163.14877	2.4
171.11710	4.1
173.13292	9.4
175.14844	2.6
185.13277	2.1
187.14812	4.4
196.27820	1.7
199.14880	2.4
201.16479	2.0
210.96642	1.6
213.16420	7.0
215.17979	15.9
229.35124	1.9
231.17436	3.5
233.18980	8.6
241.19789	2.6
243.21103	2.5
247.49303	1.5
259.20465	3.7
261.22156	10.2
268.60620	1.6
273.96680	1.7
305.21005	1.9
307.22678	54.4
308.22986	4.5
309.24292	4.5
335.25790	48.3
335.29681	3.1
336.26208	4.6
337.27484	2.6
493.40308	2.1
546.17365	1.8
556.65918	1.9
567.44049	11.9
568.43579	2.5
585.44769	8.7
707.39752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91707	0.5
56.17107	0.5
58.91087	0.5
69.03450	0.6
69.15625	2.0
69.16035	1.5
70.06597	2.2
86.09737	1.0
103.31876	0.6
107.05006	0.8
127.03979	0.7
131.04947	1.2
133.06554	0.6
137.06027	1.2
161.05989	1.0
163.07542	1.4
167.07037	4.1
168.07391	1.6
177.05450	0.6
183.28720	0.6
185.04207	3.0
193.08583	1.0
237.11266	0.7
356.15576	0.7
425.12000	0.9
439.13800	0.9
440.14392	3.1
441.15344	1.3
522.88873	0.7
539.75555	0.6
573.19409	0.7
601.19318	1.5
602.19086	0.7
603.20636	8.3
604.20215	0.8
765.25659	100.0
766.26044	17.0
766.39844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63356	0.5
55.01863	2.0
65.03941	6.2
65.09415	0.5
67.05498	2.1
69.03419	1.6
69.07092	0.5
75.04488	0.7
79.05492	2.1
81.03404	1.1
81.07042	1.7
82.04196	0.9
85.02901	2.6
91.05476	4.3
93.03407	4.2
93.07032	1.7
95.01348	0.8
95.04963	2.1
95.08632	0.9
97.02892	0.9
98.23347	1.5
100.11240	1.2
103.05470	1.6
105.07042	2.5
107.04942	2.2
107.08595	1.1
108.02094	0.7
109.02898	0.7
109.06493	0.7
109.10178	0.5
110.03677	5.7
110.46511	0.5
111.04478	6.4
111.76807	0.5
115.05474	0.9
117.07032	1.3
119.04933	2.9
119.08604	1.1
121.02872	4.2
121.06512	1.9
122.03683	0.6
123.04441	1.7
124.05217	0.6
125.06002	8.7
128.06277	1.1
129.07019	4.2
131.04930	3.1
131.08568	1.5
133.02855	3.6
133.06483	1.1
133.10048	0.7
135.04446	1.6
135.08035	1.0
137.05978	10.4
138.03130	0.7
138.84294	0.5
139.03922	2.0
142.07364	0.5
143.04932	1.1
145.05228	0.6
145.06508	1.6
145.10168	0.6
147.04404	2.5
147.11760	1.0
148.77788	0.5
149.02370	1.6
149.06018	1.2
151.03931	1.2
151.07550	4.7
153.05467	17.2
154.05832	1.5
157.06516	4.2
158.07024	0.6
159.04362	0.6
159.08058	1.6
159.19002	0.6
160.05200	0.6
161.05989	4.2
161.09654	1.5
162.06699	0.5
163.03928	0.6
163.07579	2.1
165.05481	1.6
165.06908	0.8
167.07048	4.7
167.08427	0.8
171.07979	0.5
173.05980	0.6
174.06735	2.5
175.07545	4.2
177.05461	1.7
177.09142	0.8
178.07692	0.8
179.07048	2.2
179.08513	0.9
181.04958	5.2
181.06479	0.9
181.08626	1.0
183.08026	0.7
187.07491	1.9
188.08087	1.1
189.05444	0.6
189.09109	8.8
191.07002	1.1
193.08577	0.9
193.10190	0.6
194.07320	1.1
195.08090	1.9
195.10101	0.6
197.05925	1.2
197.09619	1.4
198.06694	0.6
199.07541	1.0
201.09108	1.5
203.06921	0.8
203.08588	0.8
205.06621	0.7
206.07268	0.7
207.08078	1.3
209.06056	1.1
209.08087	1.6
209.09801	1.0
210.06750	1.7
211.07497	1.6
212.08235	1.0
212.16403	1.0
213.09126	0.8
217.06618	0.8
217.08601	2.1
218.07227	1.2
219.08020	2.1
219.10187	7.0
221.05966	1.2
221.08124	2.0
221.09853	1.2
222.06766	0.9
223.07530	2.1
223.11073	0.8
224.08321	1.7
224.11589	0.5
225.09154	2.0
226.06311	0.9
227.07071	1.9
227.10699	1.3
229.01254	0.6
234.06729	2.6
235.07552	2.1
235.09637	0.7
236.08302	1.2
237.09125	1.9
238.06299	1.3
238.09804	2.2
239.06993	2.9
239.10736	1.4
240.07823	4.7
241.08588	1.5
242.09367	0.7
247.07497	0.7
249.05405	1.0
249.06769	0.6
249.09108	4.4
249.11147	0.7
250.09789	1.5
251.06998	2.4
251.10709	1.9
252.07872	1.6
253.08635	10.6
253.12335	4.3
254.09406	2.8
255.06541	1.7
255.10121	3.8
257.08163	1.6
261.09207	1.3
262.06357	0.7
263.07028	1.6
263.10706	1.1
264.07767	0.9
265.08560	2.2
266.09314	2.4
267.06451	1.0
267.10150	3.5
268.07288	1.6
269.08011	2.9
269.11533	1.0
270.08878	2.1
270.11942	0.6
271.13339	0.9
272.18515	1.0
273.18851	0.8
277.05930	0.5
277.08441	2.9
278.09323	1.3
279.06619	0.7
279.10190	1.6
280.07358	1.1
280.10675	0.6
281.08142	2.6
281.11716	5.2
282.08810	1.5
283.06528	0.9
283.09573	4.9
284.10385	2.3
285.07709	1.0
285.11227	2.8
285.14725	1.2
293.08109	1.0
293.11420	0.7
293.55655	0.5
294.08795	1.4
295.09671	3.5
296.10345	1.2
297.11090	2.4
298.08624	0.7
298.11783	3.0
299.12756	6.9
300.09967	1.2
300.13208	0.6
303.15912	1.1
307.09772	0.7
308.10245	0.6
309.11191	6.5
310.11929	2.6
311.12805	2.2
313.10699	10.0
313.14368	4.3
314.11050	0.9
317.13928	0.7
321.11215	1.1
325.10672	1.2
326.11249	2.1
327.12256	22.7
328.12827	2.9
329.13870	10.4
331.15375	2.8
339.12210	6.3
340.12781	0.6
341.13858	4.3
343.15671	2.5
345.17108	1.0
353.13815	1.1
357.13284	6.1
357.17212	0.9
358.13669	2.3
359.14880	100.0
360.15280	7.0
361.16541	2.8
371.14896	21.8
372.15253	2.0
373.00543	0.6
374.22064	0.7
375.14377	1.1
375.22092	0.8
389.11212	1.0
389.15942	12.4
390.16519	0.9
491.20630	0.6
509.21725	1.6
548.77875	0.5
765.59167	0.9
766.58185	0.8
799.16138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.4
55.05492	3.8
65.03936	4.8
65.39808	2.8
69.03434	11.2
70.06597	13.4
70.58638	6.7
79.05495	9.3
81.02983	2.8
81.03427	7.8
81.07079	3.6
85.02910	14.4
86.09711	6.8
91.05488	10.1
95.04968	6.1
95.08616	3.3
96.31897	2.8
97.02875	6.6
99.04443	3.4
100.11247	3.8
103.05479	12.9
103.77684	3.0
105.07053	10.0
107.04953	9.2
107.08566	4.8
109.02879	4.4
110.07180	3.4
111.04432	10.3
115.05451	3.7
117.07023	4.2
119.04939	6.6
119.08575	3.5
121.02885	4.6
121.06481	6.9
123.04413	7.2
123.71528	2.9
125.06076	4.4
127.03948	6.3
127.31219	2.8
129.07025	18.1
129.10294	2.8
131.04947	18.8
131.08562	6.9
133.06509	8.6
137.05978	43.0
139.03925	7.0
141.07034	3.4
145.06456	4.2
147.04448	8.8
149.05991	13.0
151.03900	4.4
151.07530	16.7
153.05508	13.3
157.06499	14.3
157.10135	2.9
158.07234	4.1
159.08040	7.3
161.06013	19.2
161.09636	4.1
163.07578	12.1
165.09264	3.2
167.07043	54.5
174.06812	13.4
175.07559	15.0
177.05457	17.0
177.09138	4.0
179.07098	7.4
181.04948	25.0
181.06363	3.6
181.08618	9.4
186.06758	3.8
187.07654	5.5
189.09096	28.1
191.07062	3.9
193.08716	7.1
201.09143	8.0
209.08150	9.3
217.08687	6.8
219.08266	3.0
219.10147	48.3
221.08009	5.3
234.06709	3.7
235.09613	3.4
237.09036	3.4
249.09053	6.0
249.11298	6.8
253.08568	6.5
261.09070	8.5
265.08737	3.8
277.08557	8.4
278.09268	5.3
279.10049	3.8
287.05679	4.1
289.08649	3.5
291.09976	4.0
295.09729	2.8
297.11234	5.4
300.09912	4.5
309.11252	7.0
311.12683	4.2
313.10794	7.2
313.14255	5.1
321.11142	6.6
327.12247	11.7
329.13840	25.7
339.12283	14.9
341.13879	5.4
343.15521	5.3
357.13220	15.6
359.14890	58.1
360.15283	3.8
371.14886	100.0
372.15198	9.0
389.16003	21.2
390.72302	3.1
425.49197	3.2
541.07855	3.0
551.21350	5.3
640.88464	3.3
670.92517	3.4
766.58148	3.8
767.23199	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	766.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95313	0.4
55.01867	1.2
55.05513	4.8
56.05033	0.7
57.03436	1.2
59.04985	0.5
61.02907	1.3
62.06092	0.9
65.03931	0.6
67.05511	6.6
69.03433	10.5
69.07076	3.8
69.56073	0.4
70.06588	1.8
70.45268	0.4
71.04988	2.0
71.07358	0.5
71.08634	11.1
72.08166	3.4
73.02911	1.7
79.05490	3.7
81.03416	3.8
81.06579	0.7
81.07061	12.1
82.06545	0.5
83.04988	0.9
83.07359	0.6
83.08613	1.9
84.04525	0.5
84.08153	1.4
85.02911	12.2
85.06555	1.1
86.06073	35.3
87.04463	1.5
87.06403	0.8
91.05479	4.4
93.07044	3.7
95.04968	1.5
95.08608	3.6
96.08133	4.0
97.02895	8.0
97.06542	2.5
98.06052	1.5
98.09698	10.7
99.04485	2.7
99.08098	13.1
100.07631	0.6
100.11235	0.5
103.05481	0.5
103.35186	0.4
104.00552	0.4
105.07047	4.5
107.04945	0.6
107.08598	3.3
108.08128	3.3
109.02857	3.0
109.06516	1.8
109.10160	1.8
110.09702	1.0
110.76448	0.4
111.08089	0.5
112.07677	0.6
113.05977	0.7
114.09155	1.2
115.07584	0.5
116.10735	78.8
117.11055	1.4
119.08594	3.8
121.10146	2.6
122.09678	2.0
123.08084	0.7
123.11732	2.8
124.07584	1.3
127.03920	7.9
129.06996	1.3
131.08589	1.0
133.10159	2.7
135.11723	1.2
136.07652	0.5
137.06039	0.8
137.13278	0.6
138.09158	0.6
138.33514	0.5
139.09987	0.6
140.10744	1.3
141.01793	0.4
142.08670	3.1
142.12268	1.0
143.08540	0.5
143.10693	2.7
145.04980	2.6
147.11690	8.4
149.09555	0.7
149.13300	0.5
152.10623	0.7
154.15863	0.6
157.10118	3.1
159.11761	0.8
165.09029	0.8
165.12727	2.1
175.11203	3.0
183.10222	0.7
187.13432	0.6
193.12213	1.2
196.17014	0.9
205.08272	0.5
212.16534	0.7
214.18028	16.0
215.18303	1.3
222.22179	0.6
225.11148	0.7
229.14368	1.9
229.16579	0.6
234.18675	0.4
236.20030	0.6
237.14899	1.0
243.12321	1.6
248.20024	0.5
255.15891	1.5
261.13321	5.3
262.05695	0.5
264.23218	1.7
266.21124	1.7
282.24277	7.3
284.22260	5.1
287.05518	1.3
290.21207	1.1
308.22205	6.7
326.23239	8.7
326.26746	0.8
327.23465	0.7
328.24792	3.5
344.24329	100.0
345.24673	7.0
376.23404	2.3
424.30527	1.2
442.31635	21.6
443.32034	1.9
488.28470	2.8
490.30283	0.9
506.29663	27.5
507.30212	2.9
586.35822	0.8
604.36951	15.4
605.37653	2.0
668.34888	12.6
669.34766	1.8
766.42188	6.3
767.43085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
55.05519	4.2
56.05027	1.0
57.03435	2.2
57.07089	0.6
60.03988	0.5
61.02918	2.2
62.06089	0.7
65.03967	0.6
67.05508	5.9
69.03434	12.5
69.07073	5.1
70.06599	3.1
70.30899	1.3
71.04988	2.3
71.08634	11.0
72.08146	5.0
73.02913	1.6
79.05489	5.3
81.03436	4.8
81.07059	15.2
83.04969	1.7
83.07362	1.2
83.08611	1.8
84.08146	1.2
85.02911	13.6
85.06533	1.6
86.06071	49.3
87.04465	1.5
87.06399	0.7
91.05483	8.6
93.07049	5.6
94.06566	1.2
95.04972	2.8
95.08607	6.0
96.08126	6.9
97.02891	8.6
97.06516	3.5
97.42825	0.5
98.06055	1.6
98.09690	13.6
99.04468	3.3
99.08093	16.0
100.08389	0.6
105.07027	8.6
107.04958	0.6
107.08584	4.7
108.08112	3.3
109.02893	4.3
109.06483	2.7
109.10153	3.4
110.09722	0.6
111.08084	0.8
112.07616	0.8
113.06037	0.8
114.09179	1.9
116.10732	100.0
117.07015	0.5
117.11069	1.4
119.07742	0.9
119.08567	7.4
121.06510	0.6
121.10158	4.0
122.09657	1.6
123.08095	1.8
123.11697	4.6
124.07558	2.1
125.09658	0.7
127.03911	8.3
129.07021	1.8
131.08562	1.7
133.10127	4.2
134.09633	1.2
135.08076	0.5
135.11668	0.9
136.11139	0.8
137.05966	0.7
138.09166	0.9
139.07507	0.6
140.10728	1.5
142.08624	7.2
142.12219	0.8
143.10692	1.9
145.04962	3.6
145.10098	1.5
147.07974	0.8
147.11685	17.0
149.09631	1.0
152.10681	0.9
154.15945	0.7
157.10129	6.1
159.10210	0.7
159.11609	0.7
161.09499	0.6
163.11203	0.8
165.12740	6.0
175.11172	5.8
183.10146	0.6
191.10568	0.7
193.12274	3.4
196.17024	1.3
211.13306	0.8
212.16409	3.3
214.18004	20.7
215.18335	1.7
216.34950	0.5
225.11192	0.6
229.14320	3.9
230.17526	0.7
236.16489	0.7
243.12239	1.5
254.17526	0.9
255.15868	1.7
256.19128	0.7
261.13278	5.6
278.16098	0.8
287.05511	1.3
290.21289	0.7
303.23190	0.9
308.22131	8.3
326.23251	35.9
327.23578	2.4
344.24310	93.9
345.24643	6.3
376.23099	2.8
406.29172	0.5
424.30600	8.1
442.31665	16.7
443.32047	1.6
488.28525	4.3
506.29587	31.6
507.29880	2.3
550.39832	0.7
586.35791	2.1
604.36908	21.2
605.37067	2.2
668.34827	15.7
669.35211	1.2
766.41980	6.5
767.42999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58272	0.5
55.01868	1.7
55.05507	3.4
57.03442	1.7
57.07072	0.7
61.02929	1.4
62.06071	0.7
65.03951	1.1
67.05500	5.8
69.03429	11.6
69.07068	4.0
69.72307	2.2
70.06595	2.7
71.04993	2.6
71.08631	13.3
72.08154	4.1
73.02918	1.4
79.05491	5.7
81.03419	5.4
81.07055	16.1
83.04980	2.7
83.08605	1.2
84.08147	2.0
84.69341	0.6
85.02909	14.3
85.06535	1.4
86.06068	44.4
87.04470	1.5
91.05471	7.2
93.07040	4.4
95.04961	1.7
95.08595	4.9
96.08131	7.6
97.02891	7.8
97.06532	4.4
98.06062	1.8
98.09691	12.6
99.04473	3.1
99.08097	15.9
100.07592	0.7
105.07025	7.7
107.08611	4.2
108.08117	3.6
109.02908	3.9
109.06490	2.6
109.10173	2.5
110.09731	0.7
111.04411	1.0
112.07632	0.9
113.05998	0.6
114.09179	1.6
116.10732	100.0
117.07049	0.9
117.11034	1.7
119.08592	7.8
121.10168	4.0
122.09656	3.1
123.11706	4.1
124.07555	2.4
125.09676	0.8
126.09144	1.3
127.03936	7.6
129.06979	2.7
131.08586	1.7
133.10153	3.8
134.09627	0.6
135.11725	1.1
136.11232	1.6
137.05960	0.8
138.09158	1.2
140.10701	1.4
142.08662	4.0
143.08517	0.7
143.10693	3.9
145.04947	2.1
145.10120	2.4
147.11681	17.5
148.12077	0.6
149.09628	1.3
149.13286	1.0
152.10721	0.8
154.12267	0.7
154.15909	2.9
157.10098	5.5
159.11684	1.4
165.12741	4.1
166.15929	1.7
168.17368	0.8
175.11160	5.8
178.15933	1.2
193.12242	2.2
196.17003	7.3
211.13179	0.6
212.16481	3.5
214.18019	94.6
215.18330	4.9
229.14339	9.4
243.12222	1.3
255.15868	1.7
261.13382	5.7
264.10596	0.8
290.21191	0.8
308.22192	6.5
326.23224	30.1
327.23486	2.0
344.24310	79.9
345.24655	5.7
376.23303	20.8
377.23407	1.8
404.67328	0.7
424.30606	10.5
442.31662	18.5
443.32053	1.7
488.28528	3.5
506.29657	30.7
507.29764	3.1
527.33960	0.8
586.35437	2.7
604.27930	1.2
604.36884	21.6
605.37476	3.6
653.09088	0.6
668.34869	13.8
669.34845	2.0
710.60522	0.9
751.24310	0.7
766.42224	8.0
767.41614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05513	3.4
56.05027	0.9
57.03445	2.2
61.02916	1.9
62.06074	0.9
64.95945	0.4
65.03945	0.5
67.05507	6.0
69.03078	0.8
69.03432	11.8
69.07072	2.9
69.13705	4.0
70.06588	3.5
71.04995	1.8
71.07382	1.3
71.08633	11.2
72.08155	3.7
73.02912	1.6
79.05492	3.6
81.03419	4.3
81.07057	13.3
82.06597	0.6
83.01326	0.6
83.04977	1.7
83.07358	0.5
83.08605	2.0
84.08147	1.8
84.49505	0.4
85.02900	13.0
85.06538	1.7
86.06068	34.9
86.09713	0.6
87.04467	1.8
87.06416	0.6
91.03969	0.7
91.05489	4.2
93.07042	3.9
94.06562	0.9
95.04974	1.7
95.08602	3.6
96.08130	5.0
97.02892	8.7
97.06525	2.5
97.10139	0.5
98.06058	1.3
98.09700	10.5
99.04476	2.4
99.08095	16.4
100.07587	0.8
105.07021	4.4
106.65695	0.5
107.08590	3.3
108.08117	3.3
109.02873	3.4
109.06520	1.7
109.10155	1.7
110.09692	0.9
111.08082	0.5
113.06021	0.7
114.09172	1.4
116.10730	86.4
117.11063	1.3
119.08582	4.3
121.10143	2.6
122.09667	3.3
123.08088	0.6
123.11711	3.3
124.07600	1.6
126.09167	1.1
127.03919	6.3
129.07001	0.9
131.08568	1.5
133.10139	2.0
134.09695	0.6
135.08040	0.6
135.11632	0.6
136.11203	1.3
138.09203	0.7
140.10706	1.9
142.07707	0.6
142.08658	2.3
142.12239	0.8
143.08630	0.5
143.10664	3.4
145.04961	2.3
145.10118	0.7
147.11685	10.0
149.09647	0.5
154.15910	1.7
157.10126	2.3
161.47974	0.5
165.12698	2.5
166.15918	2.1
167.51007	0.5
168.17442	0.5
170.31905	0.5
171.91681	0.5
175.11218	2.7
193.12267	1.7
196.16971	3.9
210.18411	0.7
211.13290	0.7
211.16891	0.6
214.18015	55.4
215.18341	1.9
222.22177	0.7
224.20190	0.6
225.11148	0.6
229.14293	3.0
236.20125	0.7
237.14760	0.8
243.12328	2.0
248.20084	0.9
255.15952	1.0
261.13339	5.9
264.23239	1.2
266.21136	1.9
267.72021	0.5
272.18466	0.6
273.17194	0.6
278.15805	0.5
282.24319	7.6
284.22232	4.2
290.21234	1.0
308.22205	7.9
314.82059	0.5
326.23251	9.0
344.24313	100.0
345.24594	5.7
376.23328	9.5
377.23456	1.0
424.30530	2.1
442.31647	20.3
443.31851	2.0
455.32092	0.7
488.28833	3.4
506.29633	25.9
507.29926	1.7
575.40826	0.6
586.35577	1.1
604.36920	19.1
605.36725	1.5
650.33282	0.6
668.34814	13.4
669.34344	1.8
766.42169	7.0
767.41943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.05514	34.0
57.03440	16.8
57.07074	5.5
61.02924	4.4
65.03946	2.9
67.05507	100.0
69.03394	2.3
69.07067	32.4
69.29603	11.6
71.04993	3.1
71.08627	3.0
72.95744	1.6
79.05499	48.2
81.07059	93.5
83.05000	3.8
83.08611	15.2
85.02894	4.5
85.06528	3.7
91.05480	31.3
92.88157	2.0
93.07049	50.4
95.08606	71.0
97.02908	3.7
97.06542	5.4
97.10175	7.0
99.08102	4.8
105.07030	27.6
107.08596	27.7
109.10165	32.3
111.08085	3.5
113.09683	2.3
117.07005	3.7
119.08587	24.7
121.10130	18.8
122.10513	1.8
123.08113	2.8
123.11740	12.2
125.09645	4.1
127.68340	1.9
131.08553	11.1
133.10161	15.0
135.11688	21.0
137.09689	2.6
137.13264	5.9
143.08528	3.2
145.10121	11.7
147.11687	13.4
149.13261	12.4
151.14862	3.2
153.12784	2.3
157.50407	1.6
159.11703	5.4
161.13235	8.3
163.14774	4.8
173.13257	7.8
175.14856	4.2
187.14822	2.0
195.00348	3.6
201.16338	1.5
205.19646	1.9
215.18001	5.0
217.19574	9.5
233.19049	8.2
235.20493	6.4
241.80159	2.0
243.21153	6.9
257.18430	1.8
259.20578	3.5
261.22107	16.6
307.22775	6.9
309.24237	90.2
310.24649	4.1
311.26044	2.4
317.24796	4.3
323.30917	1.7
333.24176	3.0
335.25821	80.6
336.26105	6.6
337.27203	5.6
338.27533	2.5
356.52466	2.1
397.34933	1.9
438.86578	1.8
475.38446	2.2
495.42142	2.9
551.76129	1.7
569.45721	31.3
570.45837	4.1
587.46686	13.2
588.46967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	1.6
62.05030	0.6
62.41020	0.4
67.59859	0.5
68.18428	0.4
69.07085	0.5
69.26578	0.5
71.08640	1.5
71.32011	0.7
72.04519	1.5
75.54733	0.5
102.09181	1.2
116.10735	2.0
121.06539	0.6
127.02067	0.5
130.12297	0.6
131.71349	0.5
143.14409	0.5
148.70056	0.5
152.27832	0.6
163.58011	0.5
178.07619	0.5
203.95950	0.5
233.15364	0.9
284.29486	100.0
285.29782	7.1
373.05066	0.6
421.78516	0.6
440.34427	0.6
464.16116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85430	0.9
56.96569	14.3
57.39331	1.0
69.87109	4.0
70.06594	2.8
80.77914	1.0
84.08131	1.4
84.96042	5.8
86.09698	1.3
98.23235	1.5
98.97590	34.2
101.87620	0.9
103.05466	0.9
110.97580	16.3
112.99135	2.5
116.98620	13.4
119.04950	1.6
128.98613	20.6
131.00185	3.5
131.04935	2.0
134.99667	5.6
137.05978	10.3
140.98557	1.6
143.00191	3.0
143.46245	1.0
146.99660	12.9
147.04404	5.0
149.01221	1.5
152.98697	1.1
156.98482	1.0
158.99666	2.9
161.01160	5.2
161.06010	2.7
162.07683	1.5
163.07547	1.2
165.99329	1.1
170.99689	4.7
172.58214	1.0
177.00751	2.5
184.00415	2.0
189.00673	4.7
191.08513	0.9
197.01337	0.9
201.00801	2.4
203.00121	2.5
203.08572	2.2
203.99303	0.9
204.00946	4.6
205.01663	1.0
210.02016	3.4
210.49359	1.0
211.02652	1.4
217.01839	2.2
219.01772	29.4
219.03828	1.7
221.01227	10.4
222.02005	23.1
222.04153	1.7
223.02534	1.9
228.03183	1.1
231.08038	1.3
234.02016	4.6
235.02769	9.3
237.02834	49.9
238.03230	1.4
239.02278	3.5
240.03021	7.0
247.02849	2.3
249.00601	1.1
249.04611	1.2
252.03061	1.3
253.03888	3.6
255.03897	3.0
260.04514	1.4
277.08545	1.7
289.19363	1.0
291.03354	1.2
292.03900	1.3
293.04932	3.7
295.02652	1.2
296.03610	1.8
297.11032	1.8
303.03009	1.0
305.04514	1.1
309.04364	4.3
310.05090	2.0
311.05957	2.6
313.03894	1.6
314.04526	1.7
320.03549	11.7
321.04230	4.6
322.05032	2.3
324.02902	1.7
325.03873	2.2
328.06158	1.1
332.03296	6.4
333.04202	1.3
335.05756	6.9
337.03763	2.3
338.04593	22.8
339.05286	8.9
341.03525	1.2
342.04086	1.0
343.04578	1.1
347.05780	2.1
350.04599	7.8
351.05127	1.5
353.07007	46.0
354.07330	3.4
355.04947	1.9
356.05545	8.5
357.06277	4.8
363.05933	5.9
365.06995	11.0
368.05673	2.3
369.06207	1.4
371.08090	25.3
372.08429	2.1
375.07504	17.5
376.08206	2.6
381.06906	1.4
383.08130	6.6
386.06726	1.8
389.09167	2.2
393.08533	9.8
401.09091	3.7
419.09879	2.1
497.11227	14.9
501.10785	9.4
509.10910	1.9
515.12372	19.5
516.12927	1.3
519.11700	8.6
527.12378	8.6
528.12524	1.3
533.13379	15.0
534.13464	1.6
545.13306	100.0
546.13513	8.3
563.14435	42.4
564.14557	4.2
586.16132	2.0
626.38727	1.2
707.18658	7.5
767.27905	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	767.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33434	2.4
98.23342	0.4
132.17059	0.4
140.95859	0.4
142.53726	0.4
185.04259	1.6
204.70284	0.4
217.04640	0.5
232.07018	4.5
233.07855	5.8
273.54135	0.4
309.09839	0.4
367.74680	0.5
395.13123	100.0
396.13565	6.8
418.52151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.5
71.31190	0.4
72.37588	0.3
73.18896	0.3
85.02943	0.4
88.46131	0.3
93.64083	0.2
110.07180	0.5
133.06468	0.3
162.07681	0.5
167.07033	0.6
168.07291	0.3
172.70900	0.3
185.04239	2.3
193.08727	0.6
194.08951	0.4
217.04787	0.6
232.07057	10.2
233.07825	5.2
364.11356	0.9
395.13123	100.0
396.13464	6.6
549.70459	0.3
767.27063	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	770.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.8
55.05511	5.7
57.03440	20.3
57.07078	2.9
57.72918	1.5
59.04996	1.9
61.02929	11.6
67.05503	9.5
68.99765	1.9
69.03428	45.2
69.07065	10.1
69.30899	4.3
69.31317	6.7
70.06592	3.8
71.01359	7.3
71.04996	7.1
72.94977	1.4
73.02922	24.1
74.32614	1.5
79.05496	12.5
79.75645	1.7
81.03417	23.7
81.07044	15.9
83.04987	8.2
83.08619	3.3
85.02904	93.7
85.06550	4.1
85.35882	1.5
87.00834	14.5
87.04467	4.2
91.03952	3.4
91.05476	13.4
93.07041	17.6
95.01340	1.7
95.04964	15.3
95.08610	20.8
97.02892	46.7
97.06533	6.8
98.22621	3.1
99.04457	14.7
103.03939	7.5
103.05466	2.4
105.01856	16.9
105.07033	32.3
107.04967	4.1
107.08591	25.1
109.02882	19.9
109.06515	12.9
109.10176	17.3
111.04442	21.2
111.08097	4.7
113.06013	2.4
115.03910	12.1
115.05459	3.0
117.07058	8.1
117.57895	1.7
119.08573	41.7
121.06481	7.8
121.10146	45.7
123.04472	2.8
123.08066	8.1
123.11695	11.4
124.18771	1.9
125.06013	6.6
127.03915	34.6
129.01826	3.5
129.05487	12.4
129.07019	3.6
131.08562	15.7
133.04950	4.0
133.06512	6.0
133.10130	47.8
134.10484	2.6
135.08047	5.5
135.11696	13.2
137.05997	3.4
137.09613	3.2
142.07858	2.2
143.07027	3.0
143.08553	11.4
145.04962	17.0
145.06056	2.2
145.06467	1.9
145.10114	24.8
147.06519	4.8
147.08026	8.9
147.11687	33.2
147.12761	2.9
149.05946	11.4
149.09610	4.8
149.13295	7.3
151.07550	13.9
153.05502	2.5
155.08540	5.7
156.09290	3.9
157.10110	10.6
158.10881	2.2
159.02908	6.4
159.06844	1.7
159.08057	8.9
159.11684	17.4
161.05980	2.3
161.09608	7.6
161.13246	6.2
161.14435	2.0
163.07462	2.0
163.11163	2.2
167.07022	4.5
167.08455	2.5
168.09357	1.9
169.08614	4.8
169.10130	8.9
170.10904	3.9
171.06615	3.0
171.08061	4.6
171.11690	10.3
173.08298	2.5
173.09622	9.5
173.13252	28.1
175.11232	4.2
175.14816	61.6
176.15196	3.5
177.09106	4.1
177.12787	1.8
177.16406	2.8
181.04916	2.6
181.10138	4.2
182.11102	2.3
183.11690	6.6
184.12566	1.9
185.09598	6.3
185.13226	10.7
187.09698	2.9
187.11220	9.5
187.14813	17.4
188.15178	2.3
189.09032	2.3
189.12762	3.8
189.16443	6.3
191.10704	6.1
193.08563	3.1
193.15894	5.6
194.08937	2.0
195.11700	3.6
196.12407	3.0
197.09622	6.2
197.13217	4.6
199.11240	3.0
199.14807	8.3
201.09143	3.4
201.12779	6.7
203.10669	2.4
203.14372	4.0
205.15823	3.9
209.11501	2.0
209.13316	2.4
211.11310	3.1
211.14807	9.5
213.12764	5.2
215.10805	9.0
215.14374	3.6
217.15907	4.3
223.14886	2.5
225.16364	4.0
227.14392	3.6
229.12355	2.0
229.15869	5.0
231.05081	8.8
233.11777	2.9
235.14787	3.0
241.15854	14.8
243.17479	3.3
245.15341	1.7
249.06081	3.0
253.15858	46.2
254.16261	4.7
259.16818	3.2
271.16916	93.0
272.17307	6.3
273.18448	3.4
284.43652	1.9
289.17963	100.0
290.18405	7.7
307.19028	58.2
308.19308	4.9
325.20096	4.5
433.22253	6.2
451.23254	22.7
452.24069	2.0
465.97830	2.0
469.24432	3.2
519.22229	16.0
537.23145	15.7
538.23633	2.6
555.24286	8.4
668.01154	1.9
699.28693	4.7
717.29309	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	770.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.9
55.05496	7.5
57.03431	18.9
57.07066	3.1
59.04989	2.3
61.02931	13.5
67.05507	14.4
69.03431	48.7
69.07061	9.6
69.32368	3.9
69.32777	8.5
70.06583	3.7
71.01334	5.2
71.04984	9.0
73.02918	23.4
79.05501	12.4
81.03423	30.3
81.07053	19.3
83.01364	2.3
83.04973	7.9
83.08614	4.6
85.02905	100.0
85.06536	4.2
87.00823	14.3
87.04458	5.4
91.03967	2.2
91.05481	14.9
93.07048	17.9
95.01335	2.5
95.04961	16.1
95.08608	24.8
97.02898	43.5
97.06517	8.1
99.04472	11.5
101.02374	2.1
103.03944	5.5
103.05459	2.5
105.01840	9.9
105.07030	32.3
107.04926	3.9
107.08594	22.9
109.02889	19.9
109.06512	13.5
109.10151	21.8
111.04431	14.6
111.08074	3.8
113.05952	3.7
115.03930	9.9
115.05411	2.5
117.07019	10.6
119.08577	52.2
121.06495	8.6
121.09292	3.5
121.10144	51.7
123.04433	3.7
123.08080	9.6
123.11720	7.8
125.05996	9.2
127.03915	33.7
129.05467	9.2
129.07014	2.6
131.08578	15.0
133.04951	6.8
133.06500	6.8
133.10135	47.9
135.08040	6.4
135.11674	10.9
137.05966	7.0
137.09598	5.2
139.07507	3.3
141.05457	2.3
141.06883	3.2
142.07761	2.8
143.07031	5.7
143.08571	11.9
145.04935	13.1
145.06520	3.6
145.10120	25.0
147.04366	2.5
147.06555	4.0
147.08017	8.1
147.11699	37.3
149.06006	9.4
149.09598	5.5
149.13243	5.9
151.07538	10.2
153.05475	2.2
154.07779	2.5
155.08548	5.2
156.09319	4.8
157.10126	20.7
158.10890	3.0
159.02887	6.5
159.08043	9.7
159.11700	17.7
161.06017	3.3
161.09688	9.3
161.13263	5.9
163.03911	8.3
163.07573	3.1
163.11223	3.6
165.12779	3.5
167.07082	4.7
169.08728	5.0
169.10126	10.2
170.10860	4.7
171.08118	9.5
171.11662	8.8
173.09685	13.0
173.13243	30.2
175.11214	2.0
175.14825	47.5
176.15233	2.2
177.09055	5.8
177.16359	3.9
181.10126	5.0
182.10973	3.2
183.08099	2.9
183.11711	8.6
185.09607	7.2
185.13271	10.6
187.11154	9.9
187.14804	19.2
189.12820	2.5
189.16348	4.3
191.10655	4.1
193.10201	3.0
193.15875	3.1
195.11740	3.8
196.12492	3.4
197.09572	7.6
197.13307	5.1
199.11150	2.9
199.14818	10.2
201.09171	5.4
201.12711	7.6
203.10725	3.0
203.14160	2.2
209.13373	2.4
211.11293	4.3
211.14754	6.7
213.12743	4.6
213.16537	2.8
215.10635	10.5
217.15886	5.2
219.10141	3.3
220.12419	2.4
223.14891	4.2
225.16385	5.5
227.12567	3.3
227.14510	3.4
229.12270	3.2
229.15869	5.2
231.05055	9.7
235.14748	5.1
241.15828	13.3
243.17432	2.5
253.15881	60.9
254.16151	5.9
255.17300	2.3
259.16934	6.3
271.16934	89.1
272.17294	8.4
273.18445	2.7
289.17996	95.2
290.18307	9.0
307.19043	65.6
307.22574	4.2
308.19296	5.8
317.31345	2.1
325.20059	7.0
433.22159	6.2
451.23190	32.8
469.24207	6.0
507.21732	2.6
519.22229	27.0
520.22363	4.0
537.23236	13.7
555.24237	6.8
699.28601	3.9
717.29150	8.3
759.30072	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.5
57.03432	14.3
57.07082	35.3
61.02932	4.5
67.05506	45.7
68.05826	3.7
69.07063	13.9
70.46165	8.9
70.46534	7.4
71.08630	33.5
72.91904	3.7
73.02901	3.7
79.05497	35.1
81.07056	69.4
83.08619	15.3
85.02888	5.5
85.10181	16.1
91.05486	17.0
93.07036	36.8
95.08614	50.1
97.10181	7.2
105.07035	12.0
107.08593	24.2
109.10156	20.6
117.06931	5.0
119.08583	12.3
121.10141	17.5
123.11716	7.4
131.08554	7.8
133.10117	9.1
135.11690	12.3
145.10132	7.1
147.11673	4.4
149.13232	8.0
161.13249	4.5
173.13243	4.6
176.29211	4.5
182.79919	4.3
187.14890	5.0
243.21001	7.4
261.22168	28.8
313.27374	100.0
314.27789	7.5
335.25784	64.1
436.13217	4.3
573.48871	32.4
574.48901	4.9
649.88806	4.1
770.48779	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03440	0.2
63.02404	0.2
65.03944	1.1
69.03436	0.6
69.36977	0.8
70.06597	1.7
72.08148	0.4
73.02892	0.2
76.03167	0.3
77.03942	0.5
78.04702	0.1
81.03422	1.1
84.04491	0.2
84.08127	0.4
85.02889	0.9
86.09717	0.6
89.03929	0.5
91.05483	16.8
92.05843	0.4
95.04977	0.3
97.02886	0.4
99.04484	0.2
103.05466	0.5
105.03406	0.4
105.07045	0.4
106.22710	0.2
107.04936	0.4
109.02880	0.5
117.03459	0.2
118.04174	0.4
119.04948	26.4
120.05266	0.9
121.02859	0.2
123.04485	0.2
127.03953	0.3
127.55752	0.2
129.03419	0.3
129.04440	0.1
129.10248	0.2
131.04924	0.7
132.02100	1.2
133.02849	0.3
133.06502	0.4
135.04408	0.3
136.05226	0.4
137.05940	0.4
140.18605	0.2
145.02869	0.5
146.03641	0.7
147.04416	22.2
148.04716	0.8
149.02362	1.0
150.03065	0.2
157.03969	2.1
160.01570	0.3
161.06035	0.3
162.03128	0.3
163.03899	0.3
163.07504	0.2
164.04707	0.9
167.07068	0.8
174.03181	0.8
175.03912	42.7
176.04285	1.8
177.05424	0.3
179.07013	2.2
185.09212	0.3
191.07008	0.4
192.04198	1.8
193.08618	0.2
207.06531	100.0
208.06877	4.9
225.07587	1.2
249.07458	0.3
271.09695	0.2
287.05484	0.9
289.08432	0.2
293.08075	0.2
315.08728	0.2
321.11124	0.5
325.10599	0.4
333.09641	0.2
351.10709	0.7
353.13785	0.5
369.11795	2.5
370.12219	0.2
474.64813	0.2
582.17804	0.1
652.96143	0.2
772.27521	0.4
773.27466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.2
67.05503	1.4
69.03448	1.4
69.07079	2.0
71.04977	0.6
71.08637	3.1
79.05500	1.4
81.03440	0.7
81.07061	2.1
83.08638	1.5
85.02912	1.0
86.06091	0.9
91.05518	0.6
93.07055	1.3
95.04987	0.8
95.08633	1.3
97.02898	0.6
98.09680	1.3
99.08109	2.3
105.07039	0.9
107.08604	1.5
109.10164	0.9
110.09727	0.6
111.25344	0.5
119.08645	1.1
119.30339	0.5
121.10176	0.7
122.09644	0.6
129.07039	0.6
133.10162	0.9
137.05986	0.7
142.12267	10.0
157.71931	0.6
159.11690	0.6
166.08717	1.2
166.15942	1.1
173.05972	0.6
175.14935	0.7
176.09143	0.7
176.10689	0.5
194.15520	0.5
196.17056	2.4
238.18007	7.5
239.68265	0.6
245.06201	0.7
256.19092	5.4
278.17188	0.9
287.05600	0.9
289.17981	1.3
300.14069	2.9
305.08417	1.2
310.23840	2.3
347.09628	1.1
365.10590	7.6
390.30075	4.6
391.30768	0.7
398.21735	1.6
408.15045	3.7
408.31107	20.0
409.31485	1.8
412.28043	0.8
430.29248	1.9
432.14960	1.8
462.19458	18.2
463.19803	1.6
512.28479	0.9
560.26727	11.7
561.27130	1.0
576.23395	0.6
593.86206	0.6
610.35480	0.7
618.30988	0.7
674.33539	6.5
693.66010	0.7
772.40820	100.0
773.27570	1.1
773.41266	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	772.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.7
55.05517	16.8
55.41309	2.7
57.07068	8.3
65.03915	4.3
67.05230	2.7
67.05511	32.6
69.03422	11.0
69.07076	40.3
69.26877	18.2
70.07384	3.0
71.04974	2.8
79.05496	23.5
80.03339	2.7
81.03407	4.7
81.07063	85.9
83.04957	3.5
83.08622	22.0
85.02905	25.2
87.00835	7.3
91.05473	10.2
93.07047	41.9
95.08611	100.0
97.02880	5.5
97.06517	5.7
97.10168	19.7
98.22549	3.4
99.04440	3.6
105.01856	8.8
105.07034	12.0
107.08622	39.2
109.02876	5.9
109.10166	62.2
111.08117	6.2
111.11750	12.8
119.08589	9.7
121.10136	43.9
122.10458	2.8
123.11711	40.0
125.13267	16.5
127.03908	12.7
131.08546	3.4
133.10106	8.6
135.11685	46.3
136.11963	3.6
137.13254	27.2
139.11153	7.3
139.14806	2.8
145.04942	5.2
147.11688	9.7
149.13252	43.6
151.14822	11.7
153.12679	2.6
161.13293	3.9
163.14828	27.8
165.16389	6.0
167.14272	3.5
173.13158	3.0
175.14885	3.2
177.16434	14.2
179.17963	3.7
189.16356	3.0
191.17899	11.3
195.17493	2.8
203.18005	8.8
217.19572	5.5
231.05095	2.7
247.24318	5.7
249.05949	4.0
253.23209	2.4
261.25745	4.1
273.25766	38.5
274.26151	3.2
287.05457	3.6
291.26831	34.3
291.30029	3.1
291.31375	2.7
295.42099	2.6
296.35077	2.6
309.27908	14.1
312.92847	2.8
399.28983	3.1
417.30048	3.8
435.30612	3.1
465.86209	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	773.2136
Annotation	Kaempferol 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
67.01866	0.3
68.99797	0.2
69.03400	0.2
70.06540	0.1
72.08117	0.1
81.03428	0.1
85.02914	0.4
86.09709	0.1
89.03903	0.1
95.04956	0.1
97.02861	0.2
99.04477	0.1
109.02847	0.1
111.00784	0.1
113.03457	0.2
117.03363	0.1
118.60088	0.1
121.02917	0.1
121.46756	0.1
127.03879	0.1
129.01801	0.1
135.04413	1.1
137.02345	0.3
137.05981	0.1
145.04936	0.1
153.01825	3.7
154.02190	0.1
161.02303	0.4
161.05933	0.1
171.02853	0.2
177.05405	0.1
179.03374	0.2
185.05974	0.1
213.05496	0.1
219.06522	0.1
241.04904	0.4
245.04300	0.1
259.06161	0.1
263.05362	0.1
269.04440	0.4
286.04562	0.1
287.05481	100.0
288.05826	5.3
449.10773	17.3
450.11081	1.4
465.43365	0.1
525.76270	0.1
611.15973	0.9
612.16565	0.1
762.05939	0.1
773.22662	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	773.2135
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01869	0.4
57.03436	1.1
61.02930	0.5
68.64432	0.2
68.99789	0.2
69.03426	1.4
70.06593	0.6
70.70859	0.4
71.04994	8.4
73.02923	0.4
75.04475	0.4
81.03415	1.0
83.04965	0.5
83.88406	0.2
84.08141	0.3
85.02906	12.5
86.03181	0.3
86.09713	0.3
87.04467	0.2
89.29494	0.2
91.05469	0.5
93.03398	0.3
95.05000	0.2
97.02916	1.5
99.04453	0.3
103.05447	0.3
105.07054	0.3
107.04980	0.2
107.10257	0.2
109.02890	0.7
111.00803	0.7
111.04408	0.4
117.07011	0.3
119.04940	0.3
121.02840	0.7
122.03648	0.3
127.03912	1.4
128.14394	0.2
129.05482	2.4
131.04932	0.6
132.05225	0.3
133.06490	0.2
135.04482	0.2
137.02347	2.6
137.05978	9.3
138.06290	2.3
145.04955	1.0
145.06461	0.4
147.04417	1.6
147.06502	0.4
148.04770	0.5
149.02354	0.5
153.01801	2.6
161.05978	2.0
162.06342	0.6
163.03905	0.6
163.07567	0.4
165.01848	1.6
173.05991	0.8
174.06331	0.4
175.07632	0.4
177.05460	0.2
183.02866	0.7
185.06122	0.3
188.35011	0.2
191.08498	0.3
195.02779	0.2
201.05418	1.1
203.07034	0.3
211.03848	0.2
219.08093	0.3
221.09465	0.2
229.04944	3.4
247.06021	0.6
251.10680	0.4
257.04431	2.3
266.08972	0.2
274.04730	0.9
277.08591	0.4
278.08890	0.3
280.10522	0.2
285.03943	1.3
287.05481	2.4
297.11203	1.4
298.11520	1.3
303.04980	100.0
304.05328	6.5
305.24133	0.2
309.11227	0.8
310.11584	0.6
315.12350	0.4
328.12619	0.5
340.28491	0.2
345.05936	0.6
384.78043	0.2
449.10660	0.4
465.10287	20.1
466.10403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85670	2.4
55.01874	4.0
55.05513	31.5
56.81716	2.2
57.03447	15.1
57.07080	5.6
58.46532	2.7
61.02927	14.9
65.03940	7.2
67.05508	92.6
69.03433	8.9
69.07074	29.0
71.04985	8.2
71.08614	3.0
71.31440	3.0
73.02916	7.8
75.05804	2.5
79.05502	83.4
81.03424	10.7
81.07064	93.8
82.07382	2.1
83.04984	5.9
83.08643	12.2
85.02909	15.7
91.03957	8.9
91.05073	1.7
91.05486	75.8
93.07050	89.2
94.07316	2.8
95.04974	10.3
95.08607	66.6
97.02904	13.2
97.06538	7.7
97.10182	6.5
105.04501	3.6
105.07033	73.0
107.04929	2.6
107.08601	39.6
109.06528	6.8
109.10172	30.7
115.05484	5.1
117.07026	23.6
119.08585	60.7
120.08910	2.5
121.06506	2.2
121.10150	37.4
123.08062	5.4
123.11732	10.2
127.03945	3.3
129.07010	18.3
131.08571	43.1
133.10133	48.0
134.10506	3.4
135.08061	3.4
135.11707	27.3
141.06969	5.0
142.07770	4.7
143.08592	18.0
145.10132	39.4
147.08136	3.0
147.11693	41.6
149.09509	2.7
149.13290	11.7
155.08586	10.0
157.10141	16.2
159.11717	28.7
161.09671	3.0
161.13281	29.9
163.14832	9.1
167.08522	3.1
169.10124	9.8
171.11661	19.5
173.13272	23.9
175.14809	14.9
177.16414	2.8
181.10136	5.6
183.11691	10.5
185.13330	16.6
187.14812	8.2
189.12778	4.2
195.11710	5.3
197.13295	7.1
199.11163	3.4
199.14839	8.4
200.15425	3.2
201.12680	2.9
201.16388	5.3
209.13300	4.1
211.14914	5.6
213.16464	5.6
215.17961	4.5
215.46880	2.4
229.19453	3.7
231.21074	3.6
236.64874	2.6
239.17928	5.5
241.19543	28.6
242.20016	2.8
243.21075	5.1
251.18138	2.5
257.19000	10.7
259.20599	50.5
261.22241	12.0
271.20685	3.0
275.20151	4.2
301.21674	7.2
311.23941	3.6
313.21527	2.6
315.23322	3.6
333.24292	36.6
335.25815	71.1
336.26218	7.5
337.27222	4.0
351.25641	2.7
367.23016	4.9
375.25424	2.7
385.23834	3.7
441.26364	2.8
488.11459	2.7
499.04916	2.5
519.41919	4.9
541.38574	3.8
593.45496	10.9
609.44940	4.2
611.46710	100.0
612.46777	16.3
623.47302	3.1
631.33795	2.6
635.45953	3.5
701.47321	6.5
719.48224	4.0
737.49536	4.3
755.50342	7.5
773.52490	11.4
774.51367	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	773.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91953	10.6
55.05505	37.0
55.67886	10.1
57.03443	28.2
57.07074	39.4
61.02915	20.9
67.05509	93.3
69.07066	41.1
69.35594	60.7
71.08636	14.5
79.05484	58.8
81.03437	10.8
81.07052	100.0
82.07377	11.0
83.08620	23.8
85.02913	15.1
85.10150	16.3
91.05491	54.6
93.07027	68.8
95.08624	82.5
97.02883	12.4
105.07021	34.1
107.08592	41.7
109.10165	34.7
110.86148	9.6
117.07024	22.4
119.08575	51.2
121.10138	36.7
123.11647	13.3
129.07025	15.9
131.08601	17.7
133.10130	34.6
135.11674	29.3
143.08527	14.9
145.10135	35.0
147.11656	36.8
157.10077	11.7
159.11742	26.4
161.13237	23.0
169.10066	11.1
171.11697	13.7
175.14781	12.9
183.11845	11.2
184.07368	22.8
185.13220	21.1
187.14668	11.2
246.06401	10.8
257.19077	9.9
259.20523	41.3
313.27335	54.4
314.27704	36.0
333.24222	23.3
335.25827	37.6
337.27350	41.4
338.27594	46.5
365.04059	13.1
576.50800	60.9
611.46442	64.8
773.51001	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.0
57.03424	3.7
57.07077	12.1
67.05508	24.4
69.03419	7.7
69.07077	53.8
69.23134	22.6
71.08634	3.5
79.05495	10.4
81.03420	5.2
81.07062	97.3
83.08620	32.4
85.02914	39.1
85.06531	6.7
85.42406	3.2
87.00845	7.0
91.05505	6.9
93.07047	13.7
95.08611	100.0
97.02900	6.6
97.10177	21.4
99.08081	7.1
105.01890	12.8
107.08627	15.3
108.51231	3.2
109.02873	8.0
109.06516	4.6
109.10159	69.5
110.10517	2.9
111.08094	2.8
111.11732	29.4
117.07012	3.1
119.08555	4.5
121.10162	12.3
123.04434	3.8
123.11728	45.1
125.13292	27.3
127.03891	15.6
133.10156	5.7
135.11710	9.8
137.05994	4.5
137.13239	32.5
139.14856	4.4
143.14374	3.9
145.04988	13.0
149.13277	13.2
151.14795	26.3
155.14314	6.0
163.06047	14.2
163.07506	3.2
163.14790	4.1
165.16377	15.4
167.07036	29.2
167.14301	3.4
169.15880	10.9
173.05980	6.0
175.07507	3.5
179.17981	10.4
181.04962	17.7
183.17387	7.2
193.19574	8.2
197.19006	4.6
205.11928	3.1
205.19569	6.3
207.21114	4.5
219.21042	4.0
231.04832	3.3
249.25691	5.1
256.15280	3.6
275.27383	24.2
287.05637	4.9
293.28369	61.2
294.28671	9.0
311.29492	5.1
385.12497	5.5
401.30618	5.9
417.15149	7.6
419.31439	8.1
437.32831	6.7
455.33615	6.9
456.35049	3.9
613.22974	5.5
775.27917	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	775.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
64.14318	0.4
65.03942	4.7
67.05471	1.7
69.03429	4.5
70.62194	0.7
70.62497	0.6
72.08077	0.4
73.02901	0.7
78.04722	4.3
79.05500	3.0
81.03395	1.5
81.07033	1.3
82.04168	2.1
83.04932	0.6
85.02432	0.6
85.02902	8.0
91.05476	6.6
92.05811	0.7
93.03368	1.4
93.07023	1.0
94.04174	0.5
95.04980	2.6
96.05762	0.7
97.02870	2.1
97.06503	2.1
99.04458	0.4
100.80708	0.5
103.05475	3.7
105.03355	0.7
105.07002	2.3
106.04165	2.4
107.04387	0.5
107.04958	5.4
107.08597	0.6
108.02084	0.7
109.02853	1.4
109.06489	1.1
110.03686	2.3
111.04413	1.4
115.05457	7.5
117.07024	10.4
119.04939	5.3
119.08595	0.9
121.06506	1.2
122.03615	1.4
123.03577	0.5
123.04427	8.1
124.05257	2.8
125.05967	1.8
127.03916	0.9
127.05417	2.1
128.06221	0.9
129.06999	0.8
130.04109	0.6
131.04945	2.2
131.08560	0.6
133.02829	1.3
133.06415	1.3
134.03613	1.1
135.04407	1.0
135.08044	0.5
137.02292	0.5
137.05972	11.0
138.03104	1.9
138.06326	0.6
142.02614	1.8
143.04916	1.2
144.05702	1.3
145.06490	16.0
145.10167	0.6
147.04424	6.9
147.08017	1.6
149.06004	0.7
149.09541	0.6
151.03922	3.2
151.07541	1.4
152.04704	3.3
153.05441	2.2
155.06027	6.9
157.06502	0.7
159.04375	0.6
159.07861	0.5
160.05249	0.7
161.06007	2.4
162.06686	1.1
163.07529	1.6
165.05424	1.3
167.07039	100.0
168.07396	2.9
171.06506	2.5
172.05167	0.7
173.05986	23.3
174.06464	0.9
175.07632	2.3
176.04674	0.5
177.05473	0.7
179.07039	3.0
181.04955	72.3
182.05313	2.1
187.07547	0.7
189.09076	0.6
190.06236	0.8
191.07031	3.6
191.10687	0.6
193.08572	0.7
195.06534	1.3
201.05463	1.6
203.07043	4.3
205.08577	7.3
207.06517	1.0
207.10136	0.7
211.07643	0.5
215.07028	0.4
215.17807	0.5
217.08574	1.2
219.06558	1.3
221.06023	1.0
221.07980	0.9
229.08589	0.6
231.06650	1.4
233.06032	0.7
233.08090	9.6
234.08713	0.9
235.07571	0.9
235.09647	9.7
237.09169	0.7
249.07552	0.8
250.06447	0.7
253.08633	0.6
261.07559	0.6
263.09317	1.0
265.08636	1.4
267.06738	0.9
267.09744	0.5
281.08182	0.5
282.08817	1.1
283.09772	0.6
287.05615	3.0
288.05823	0.6
292.07248	0.7
293.08109	1.1
294.08679	0.9
295.09625	0.6
297.11285	1.5
307.09430	0.8
309.10928	0.5
310.08450	1.5
311.09094	0.9
325.10724	1.9
326.11508	1.2
342.10916	0.7
353.10269	1.2
355.11890	1.3
357.13306	6.9
367.11682	0.7
369.13199	1.0
385.12802	38.7
386.13220	3.5
387.14349	7.4
397.13007	1.7
399.14484	1.4
403.13873	2.6
415.13843	4.3
416.14490	1.6
417.15445	12.8
418.15701	0.9
515.17041	0.8
535.19562	0.6
565.20819	1.1
589.50684	0.5
595.21484	1.0
613.22754	16.7
613.33032	0.8
614.23029	2.0
652.63104	0.5
775.28162	25.8
776.28339	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
64.14318	0.4
65.03942	4.7
67.05471	1.7
69.03429	4.5
70.62194	0.7
70.62497	0.6
72.08077	0.4
73.02901	0.7
78.04722	4.3
79.05500	3.0
81.03395	1.5
81.07033	1.3
82.04168	2.1
83.04932	0.6
85.02432	0.6
85.02902	8.0
91.05476	6.6
92.05811	0.7
93.03368	1.4
93.07023	1.0
94.04174	0.5
95.04980	2.6
96.05762	0.7
97.02870	2.1
97.06503	2.1
99.04458	0.4
100.80708	0.5
103.05475	3.7
105.03355	0.7
105.07002	2.3
106.04165	2.4
107.04387	0.5
107.04958	5.4
107.08597	0.6
108.02084	0.7
109.02853	1.4
109.06489	1.1
110.03686	2.3
111.04413	1.4
115.05457	7.5
117.07024	10.4
119.04939	5.3
119.08595	0.9
121.06506	1.2
122.03615	1.4
123.03577	0.5
123.04427	8.1
124.05257	2.8
125.05967	1.8
127.03916	0.9
127.05417	2.1
128.06221	0.9
129.06999	0.8
130.04109	0.6
131.04945	2.2
131.08560	0.6
133.02829	1.3
133.06415	1.3
134.03613	1.1
135.04407	1.0
135.08044	0.5
137.02292	0.5
137.05972	11.0
138.03104	1.9
138.06326	0.6
142.02614	1.8
143.04916	1.2
144.05702	1.3
145.06490	16.0
145.10167	0.6
147.04424	6.9
147.08017	1.6
149.06004	0.7
149.09541	0.6
151.03922	3.2
151.07541	1.4
152.04704	3.3
153.05441	2.2
155.06027	6.9
157.06502	0.7
159.04375	0.6
159.07861	0.5
160.05249	0.7
161.06007	2.4
162.06686	1.1
163.07529	1.6
165.05424	1.3
167.07039	100.0
168.07396	2.9
171.06506	2.5
172.05167	0.7
173.05986	23.3
174.06464	0.9
175.07632	2.3
176.04674	0.5
177.05473	0.7
179.07039	3.0
181.04955	72.3
182.05313	2.1
187.07547	0.7
189.09076	0.6
190.06236	0.8
191.07031	3.6
191.10687	0.6
193.08572	0.7
195.06534	1.3
201.05463	1.6
203.07043	4.3
205.08577	7.3
207.06517	1.0
207.10136	0.7
211.07643	0.5
215.07028	0.4
215.17807	0.5
217.08574	1.2
219.06558	1.3
221.06023	1.0
221.07980	0.9
229.08589	0.6
231.06650	1.4
233.06032	0.7
233.08090	9.6
234.08713	0.9
235.07571	0.9
235.09647	9.7
237.09169	0.7
249.07552	0.8
250.06447	0.7
253.08633	0.6
261.07559	0.6
263.09317	1.0
265.08636	1.4
267.06738	0.9
267.09744	0.5
281.08182	0.5
282.08817	1.1
283.09772	0.6
287.05615	3.0
288.05823	0.6
292.07248	0.7
293.08109	1.1
294.08679	0.9
295.09625	0.6
297.11285	1.5
307.09430	0.8
309.10928	0.5
310.08450	1.5
311.09094	0.9
325.10724	1.9
326.11508	1.2
342.10916	0.7
353.10269	1.2
355.11890	1.3
357.13306	6.9
367.11682	0.7
369.13199	1.0
385.12802	38.7
386.13220	3.5
387.14349	7.4
397.13007	1.7
399.14484	1.4
403.13873	2.6
415.13843	4.3
416.14490	1.6
417.15445	12.8
418.15701	0.9
515.17041	0.8
535.19562	0.6
565.20819	1.1
589.50684	0.5
595.21484	1.0
613.22754	16.7
613.33032	0.8
614.23029	2.0
652.63104	0.5
775.28162	25.8
776.28339	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.2
57.03428	0.8
58.51707	0.4
61.02909	1.1
65.03944	4.9
67.05485	1.9
68.06407	0.5
69.03430	3.9
69.53783	2.6
71.04961	0.5
73.02908	1.1
78.04714	4.8
79.05491	3.0
81.03414	2.3
81.07023	1.3
82.04179	1.8
85.02910	6.7
91.04964	0.6
91.05486	7.2
93.03383	1.6
93.07038	0.9
93.83015	0.4
94.04152	0.5
95.04965	2.6
95.08570	0.7
97.02911	2.4
97.06507	2.0
98.22664	0.6
99.04423	0.7
103.05467	3.8
105.03410	0.5
105.04485	0.5
105.06998	1.5
106.04160	1.6
107.04958	3.1
108.02039	0.7
109.02876	1.2
109.06508	0.6
110.03678	2.4
111.04446	1.0
114.03095	0.6
115.05451	8.4
116.06213	0.6
117.07020	11.1
117.50538	0.5
119.04936	5.5
121.06512	1.1
122.03667	0.8
123.00845	0.5
123.04433	10.2
124.05220	3.2
125.06010	2.5
127.03913	1.0
127.05446	1.7
128.06221	0.6
129.07019	0.5
130.04140	0.5
131.04953	2.9
133.02861	2.2
133.06471	1.1
134.03598	0.8
135.04424	0.9
137.02406	0.5
137.05977	10.3
138.03064	1.4
142.02597	2.0
143.04895	1.0
144.05647	0.9
145.06496	16.9
147.04414	6.9
147.08035	2.0
147.11783	0.5
149.05974	0.8
151.03922	2.9
151.07530	1.5
152.04710	2.7
153.05437	1.9
155.04918	0.5
155.06044	6.5
160.05205	0.8
161.06006	1.8
163.07532	1.4
165.05496	1.7
165.09067	0.5
167.07048	100.0
168.07353	3.7
171.06535	2.4
173.05997	22.9
174.06419	0.9
175.07536	2.6
177.05487	0.7
179.07010	2.6
181.04965	65.1
182.05307	1.8
188.04562	0.6
189.05496	0.6
190.06219	0.7
191.06973	2.3
193.08516	0.5
201.05530	1.1
203.07036	4.3
205.08603	7.9
207.06505	0.6
217.08714	0.9
219.06509	1.2
220.07138	0.5
221.08171	1.1
229.08751	0.6
231.06496	1.0
233.05928	0.6
233.08069	7.1
234.06671	0.6
234.08792	1.2
235.07492	0.8
235.09654	8.6
236.10095	0.6
237.09190	0.8
250.06429	0.8
251.06989	0.6
254.09436	0.4
257.04495	0.5
265.08777	1.7
267.06567	0.9
268.07681	0.5
280.07495	0.8
281.08133	0.7
282.08807	0.9
283.09787	0.9
287.05496	8.4
288.05783	0.5
291.67627	0.5
293.08160	1.4
294.08939	0.5
295.09537	0.9
297.11166	1.2
299.09381	0.5
310.08411	2.1
311.09106	1.1
313.10843	0.6
314.11569	0.5
319.11633	0.5
321.07410	0.6
325.10709	2.7
326.11554	1.2
329.10233	0.5
329.13956	0.7
342.11008	1.1
353.10300	1.1
354.10806	0.6
355.11935	1.1
357.13339	9.0
369.13361	0.6
385.12820	40.8
386.13226	4.4
387.14420	4.7
397.12955	1.4
403.13745	2.2
415.13889	3.7
416.14859	1.3
417.15427	13.3
418.15707	1.0
565.20892	1.1
571.08899	1.6
577.18683	0.5
583.21753	0.8
595.21649	0.9
613.22864	19.6
614.23102	2.9
775.28076	24.5
776.28680	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	775.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
57.03426	0.6
57.94101	0.4
61.02911	0.6
65.03944	3.6
66.04689	0.4
67.05482	1.5
69.03432	3.7
69.07103	0.4
71.04992	0.4
71.31419	0.6
72.62183	0.4
73.02892	0.5
78.04707	3.9
79.05495	2.5
81.03395	1.6
81.07040	1.0
82.00530	0.5
82.04173	1.7
85.02508	0.5
85.02910	5.4
91.05480	6.1
93.03413	0.9
95.04941	1.7
95.08576	0.5
97.02882	2.1
97.04510	0.4
97.06525	0.8
103.05482	2.1
105.03347	1.0
105.07017	1.0
106.04189	2.0
106.73367	0.4
107.04965	2.8
108.02110	0.6
109.02866	1.1
110.03677	2.2
111.04462	1.1
112.57085	0.4
115.05450	6.8
117.06222	0.4
117.07024	8.5
118.07372	0.4
119.04958	5.4
119.08542	0.9
121.06504	0.8
122.03617	1.2
123.04433	8.1
124.05227	2.9
125.05965	1.7
127.03925	0.7
127.05451	1.2
130.04117	0.4
131.04918	2.2
132.05704	0.4
133.02849	0.8
134.03661	0.6
135.04391	1.1
137.05969	7.6
138.03116	1.0
142.02603	1.7
143.04921	0.8
144.05687	0.9
145.06487	14.6
147.04427	6.2
147.08034	1.2
149.06039	0.5
151.03896	2.6
151.07521	1.9
152.04691	2.7
153.05464	2.3
155.04881	0.6
155.06039	5.8
160.05180	0.9
161.05983	1.6
162.06731	0.5
163.07527	0.8
165.05441	1.6
167.07042	100.0
168.07352	3.5
171.06511	2.3
173.05989	20.8
173.07217	0.3
174.06386	0.8
175.07426	2.1
177.05435	0.9
179.06990	3.0
181.04961	58.1
182.05287	1.7
186.58035	0.4
188.04637	0.8
189.05432	0.5
190.06180	0.8
191.06998	1.9
201.05455	1.4
203.06996	3.0
205.08629	5.9
207.06416	0.9
217.08597	0.6
219.06552	1.3
221.08020	1.0
231.06523	1.2
233.08052	6.4
234.08794	0.9
235.07478	0.8
235.09625	7.4
237.09271	0.6
247.07495	0.5
250.06265	1.0
254.09451	0.8
263.07095	0.5
264.07852	0.6
265.08633	0.8
267.06592	0.5
282.09024	0.8
287.05566	1.9
293.08124	1.6
295.09714	1.0
297.11295	1.7
307.09784	0.5
310.08423	1.5
311.09128	0.9
315.12378	0.5
324.09906	0.5
325.10788	1.9
326.11215	0.6
342.11108	0.9
353.10211	1.0
357.13290	7.8
357.24924	0.5
358.13556	0.6
385.12814	40.4
386.13177	3.8
387.14389	6.0
397.12851	1.9
399.14362	0.9
403.13873	2.5
415.13965	3.5
416.14587	1.1
417.15460	17.7
418.15930	1.7
427.70013	0.5
471.18469	0.9
565.20514	0.6
577.19238	1.0
595.20966	0.9
613.22839	15.8
614.23071	2.2
775.28003	26.7
776.28357	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	29.9
69.62953	1.6
70.41068	3.3
71.95257	2.4
75.95673	1.8
84.96030	4.6
98.97584	75.2
110.97560	18.9
112.99123	19.4
116.98621	34.1
126.97099	1.8
128.98599	21.5
131.00177	38.1
134.99655	6.9
138.96822	1.8
140.00198	3.0
140.98631	4.2
143.00182	15.0
146.99651	13.5
149.01231	40.2
152.98573	2.3
155.00134	1.9
157.61226	2.1
158.99654	38.1
161.01241	11.8
163.02660	2.2
167.02280	7.7
170.99660	33.4
172.02771	3.3
173.01262	9.1
175.02881	2.5
177.00720	34.5
180.97736	2.2
185.01207	9.5
189.00699	38.7
191.02261	11.2
192.97885	2.6
194.99518	2.9
195.01836	4.2
199.02797	6.4
200.02393	3.0
201.00723	11.3
201.82179	1.8
203.02324	7.8
207.01785	3.5
209.01225	1.9
212.02390	3.2
213.00664	5.8
215.02327	2.5
217.03886	6.1
219.01816	21.6
220.45921	1.7
226.36516	2.0
227.02205	3.1
231.01743	4.7
233.03323	4.7
237.02795	11.7
261.02823	21.9
264.56125	2.0
275.04422	9.6
275.07004	2.0
279.03891	24.7
291.03802	3.1
293.05408	43.3
297.04935	6.4
302.05566	3.2
309.04895	7.6
311.06473	16.0
315.03766	3.3
317.17874	23.5
321.04922	100.0
322.05457	2.8
335.18954	8.1
339.06024	6.2
359.18796	2.3
381.07083	8.5
399.08060	2.1
437.09744	20.3
455.10715	57.9
456.10999	3.0
462.07339	2.0
477.08524	4.8
539.24811	6.4
553.26721	10.4
571.26837	2.7
699.35242	4.7
715.32043	31.7
716.32587	6.0
727.31592	2.4
737.30322	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	775.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	25.5
60.40213	1.3
71.30305	2.3
71.95253	1.8
77.08717	1.6
82.76888	1.5
84.96038	7.2
93.67953	1.3
97.10149	1.4
97.72437	1.3
97.87561	1.4
98.96937	3.4
98.97583	70.7
110.97562	19.2
112.00059	1.5
112.99126	20.2
114.00076	1.5
116.98626	33.6
124.99129	2.0
128.98615	21.2
131.00171	35.7
134.99687	9.0
140.00195	1.6
140.98608	5.3
143.00166	16.7
144.98125	1.9
146.99672	11.8
149.01218	36.9
152.98622	4.1
155.00070	2.4
158.99663	30.4
161.01216	10.8
167.02290	7.1
170.01202	1.6
170.99655	38.3
173.01248	7.8
175.02779	1.7
177.00711	33.2
182.01297	1.6
182.99631	3.0
185.01183	7.7
189.00714	40.3
191.02261	9.7
194.99648	2.7
195.01620	2.9
199.02766	7.7
200.02348	2.5
201.00693	11.9
203.02271	8.7
205.03781	1.7
207.01787	2.8
209.01186	2.4
212.02319	3.3
213.00752	4.3
215.02243	2.2
217.03859	6.5
219.01730	18.3
227.02209	3.4
231.01834	4.7
233.03308	3.1
237.02811	8.2
242.03267	1.5
259.77240	1.5
261.02829	20.7
267.62039	1.6
275.04309	10.8
279.03879	28.1
291.03943	5.5
293.05432	37.8
294.06003	1.7
297.04929	6.6
302.05469	3.3
309.04910	5.5
311.06461	15.6
317.17874	23.8
321.04935	100.0
322.05276	5.0
332.06491	2.1
334.08145	2.3
335.18805	6.9
339.05966	6.0
362.07614	3.9
363.06119	1.9
381.06802	7.5
437.09637	21.6
438.10300	1.8
455.10718	47.8
456.10907	2.0
539.25098	7.8
553.26892	11.4
571.28302	2.3
650.59247	1.7
715.32056	36.6
716.32690	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	777.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
70.06604	1.1
71.31208	0.5
79.05510	0.6
85.02921	0.9
90.53830	0.4
91.05499	0.6
93.07057	0.5
96.14178	0.5
97.02921	0.6
103.05489	1.9
105.07050	1.4
106.11015	0.5
107.04977	0.7
108.08950	0.5
111.04269	1.0
119.04906	0.5
122.34054	0.4
127.03997	0.5
127.22559	0.4
131.04955	1.9
133.02879	0.6
133.06525	1.7
137.06041	1.2
146.03743	0.6
147.04384	0.8
148.05232	1.2
149.06055	0.6
151.03864	0.6
159.04170	44.5
160.04553	1.6
161.06021	1.8
163.07611	1.3
167.07083	3.3
168.07181	0.4
173.05710	0.5
175.03670	17.6
176.03998	0.6
177.05414	1.1
177.38258	0.5
181.05022	1.6
189.05344	0.7
191.07047	6.8
192.07704	0.5
193.08661	1.4
193.21436	0.4
204.07704	1.8
219.06490	0.5
220.07071	1.0
221.08125	2.5
233.08112	0.9
243.11363	1.0
285.12460	1.7
287.05521	0.9
304.30667	0.4
347.10342	0.6
352.12323	0.5
356.12271	1.0
369.13519	0.5
379.15155	0.6
383.14993	0.6
384.15579	1.9
391.08932	1.2
397.16177	10.5
398.16608	0.7
399.14218	2.1
400.15036	0.9
403.15332	0.6
411.17834	1.8
413.15799	1.9
427.17480	2.0
428.18066	0.8
537.20996	0.7
549.21515	0.8
565.20520	2.0
580.22504	1.6
581.23749	0.8
593.23419	1.3
620.22015	0.6
777.30847	100.0
778.31171	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	777.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	2.3
56.96566	28.7
69.07429	14.5
71.95280	1.4
84.96033	6.0
86.88892	1.5
90.47292	1.4
98.97582	71.7
110.97572	19.3
112.99137	18.8
116.98627	32.2
124.99091	4.2
128.98611	23.0
131.00160	33.1
134.99661	8.7
140.00165	4.1
140.98615	4.1
143.00168	16.6
144.98093	2.0
146.99632	10.7
149.01222	40.2
152.98560	3.5
158.99663	34.2
161.01227	12.4
167.02292	6.1
170.99649	33.2
172.02904	2.7
173.01202	8.7
176.99124	1.7
177.00714	32.5
182.99593	2.6
185.01253	6.2
189.00710	43.4
191.02223	12.0
194.99673	2.4
195.01755	4.2
197.01340	1.6
199.02780	7.3
200.02284	2.3
201.00696	9.8
203.02249	7.8
207.01660	3.1
209.01228	3.0
212.02342	4.2
213.00746	5.3
215.02316	3.1
217.03856	6.9
219.01744	21.9
227.02223	2.3
231.01767	5.1
233.03358	4.0
237.02788	10.4
261.02795	24.8
275.04355	10.1
279.03870	19.7
291.03833	4.5
293.05417	43.7
297.04950	7.8
302.05286	3.2
309.04938	6.1
311.06491	15.4
315.03766	2.0
319.19412	10.5
321.04922	100.0
322.05322	4.2
335.06723	1.8
337.20499	22.6
339.05890	7.3
362.07544	3.3
381.06943	6.7
437.09683	23.2
455.10706	53.4
456.10980	3.1
477.09299	3.3
539.32477	1.9
541.26782	7.0
555.28619	11.7
701.37000	4.8
717.33606	34.5
718.33429	5.0
720.33948	1.7
735.80652	1.7
739.30786	1.9
777.30005	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.2
57.03427	1.9
59.36403	0.3
61.02927	3.4
65.03957	1.2
67.05482	0.5
69.03430	7.6
70.48383	1.1
71.05000	0.8
73.02921	1.3
75.04446	0.4
77.03930	0.9
78.04715	0.4
79.05490	3.7
81.03425	3.5
81.07059	0.4
85.02906	24.1
87.04472	0.8
89.03918	0.9
91.03960	1.0
91.05482	12.4
92.05824	0.5
93.03420	1.0
93.07048	15.2
95.04980	3.2
97.02892	8.6
99.04449	1.2
102.04687	0.5
103.04778	0.9
103.05467	17.7
104.05818	0.6
105.04514	1.3
105.07030	21.1
106.04166	2.5
106.07380	0.6
107.04955	3.7
109.02863	2.6
115.03995	0.4
115.05477	4.4
117.03388	0.9
117.06994	0.5
118.04166	2.7
119.04953	1.0
121.06508	28.1
122.06858	0.9
125.05970	0.5
127.03922	6.4
127.68845	0.4
131.04927	5.3
131.06036	1.3
132.05663	0.7
133.02835	0.6
133.06493	17.9
134.03627	0.5
134.06810	0.7
135.04439	0.8
135.08066	0.7
136.53157	0.4
137.05951	0.9
143.04958	0.5
143.06061	1.1
144.06610	0.4
145.02827	2.6
145.04965	5.8
145.06210	0.5
145.06454	0.4
147.04411	0.9
148.05203	2.5
149.05981	52.5
150.06438	1.6
150.91335	0.5
153.05463	0.7
153.09070	0.9
161.05981	34.6
162.06372	1.4
163.03899	1.6
163.06174	0.7
163.07535	5.2
166.06241	1.3
167.07071	3.4
173.05997	0.6
177.05478	9.5
177.09061	0.7
178.05829	1.1
180.07817	1.7
181.08600	35.4
182.08936	1.8
189.05559	0.4
191.07034	34.3
192.07393	1.4
193.08606	48.6
194.08983	2.2
195.06537	0.9
195.10143	0.7
209.08089	100.0
210.08418	4.3
227.09076	0.4
369.13354	0.7
371.13345	8.2
372.13803	0.7
383.14694	0.7
387.14362	0.5
401.15927	0.4
441.78152	0.4
522.27606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	31.0
57.03439	16.6
57.07082	12.4
67.05498	87.5
67.51939	10.2
69.07063	27.8
75.07788	10.8
76.06604	9.0
79.05487	64.7
81.07059	100.0
83.08599	12.8
86.09716	23.4
91.05486	36.3
93.07056	61.7
95.08625	72.6
95.09129	11.9
97.10162	9.4
103.01003	9.2
105.07008	29.6
107.08588	41.5
109.10165	39.1
119.08524	15.2
121.10128	30.6
123.11748	13.2
125.00017	23.4
131.08504	14.5
133.10089	14.7
135.11707	33.1
145.10196	16.4
147.11705	18.0
149.13283	10.2
159.11662	9.6
161.13268	13.3
173.13152	9.4
184.07339	67.8
247.20601	17.9
259.20395	14.3
261.21915	10.4
302.69876	10.5
321.24203	53.9
335.25787	74.5
403.87607	12.3
442.23251	15.1
457.23007	11.7
473.23169	14.0
569.00751	11.3
581.45551	22.3
778.54248	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	779.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68397	0.4
55.05497	0.5
62.88606	0.3
62.98252	0.8
67.05500	0.7
69.03426	0.9
69.07078	0.5
70.06583	0.6
79.05508	0.7
81.03417	0.5
81.07063	1.6
81.35076	0.4
85.02924	1.2
86.09699	0.5
91.05508	1.0
93.07069	0.8
95.08618	0.7
97.02931	0.4
105.07046	1.2
107.05000	0.4
107.08563	0.7
109.02888	0.6
109.10175	0.4
119.08625	0.6
121.10174	0.9
127.03934	0.7
133.10164	0.8
135.08133	0.4
135.11725	0.5
137.06003	1.8
138.06358	0.5
145.10164	0.6
153.01877	0.9
167.07121	0.7
181.04887	0.5
185.04240	0.5
203.05246	3.8
227.05348	1.7
228.80591	0.4
245.06438	1.1
287.05493	18.9
288.05762	1.8
289.05511	1.1
333.27710	0.8
351.28574	1.8
447.64526	0.4
449.11014	0.8
495.32855	6.5
513.33990	21.5
514.34351	2.8
519.32874	1.2
531.35028	5.0
537.33984	13.6
537.42169	0.8
538.34399	1.6
548.49774	0.4
555.35022	19.1
556.35223	1.3
563.31818	0.7
567.85071	0.4
573.35962	3.0
581.32947	8.6
582.33551	1.2
599.33984	22.9
600.34009	2.4
617.35309	5.2
618.35632	0.7
621.49750	0.4
675.40009	1.1
693.40167	2.4
717.40320	1.3
735.41296	14.5
736.41370	1.9
761.39386	5.4
779.40326	100.0
780.23706	2.0
780.40674	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	780.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51710	0.3
55.01872	1.4
57.07076	1.0
63.02425	0.4
66.04733	0.3
69.03439	0.4
70.06594	0.9
77.03918	0.6
79.05496	6.1
81.03426	0.9
85.02901	0.5
89.03932	0.8
90.04718	0.7
91.05479	2.5
93.07053	0.3
95.04971	0.7
95.08634	0.3
97.02890	0.8
98.23376	0.6
100.11269	0.4
102.04663	0.4
103.05470	6.5
105.07033	51.7
106.06764	0.3
106.07366	1.8
107.04971	0.4
108.04551	0.4
109.02855	0.3
115.05455	10.2
116.05790	0.3
118.04145	3.9
123.04301	0.3
127.03892	0.8
131.04903	1.6
132.05678	0.5
133.06493	52.9
134.06766	1.6
137.05980	0.5
143.04929	0.9
143.06062	4.6
145.06297	0.3
149.06018	0.4
149.09474	0.3
161.05980	100.0
162.06332	4.2
167.07031	1.1
178.06219	0.5
193.08606	94.3
194.08966	3.4
209.16412	0.3
210.14964	0.4
227.19577	0.3
229.47545	0.4
247.11816	0.5
300.00314	0.3
474.44067	0.3
615.59729	0.3
780.58441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	0.7
55.05518	6.4
56.15952	0.4
57.07077	6.7
67.05489	2.1
69.07074	8.9
71.08646	4.0
79.05501	0.8
81.07058	4.6
83.01341	1.0
83.04992	1.0
83.08629	5.4
83.34663	0.5
85.10168	2.4
91.05464	1.3
93.07040	1.2
95.08604	3.2
97.10159	4.1
98.23450	1.1
103.05474	2.0
104.40588	0.5
105.07075	0.5
107.04954	1.6
107.08630	0.9
109.10159	2.2
111.11709	1.4
119.08566	1.0
120.89017	0.6
123.04409	0.7
123.11718	1.1
125.13311	0.6
131.04938	4.7
135.04402	1.3
135.11720	0.6
137.05954	1.4
137.13258	0.5
143.04915	0.7
145.10141	0.5
151.03908	1.9
153.07025	0.6
159.04407	1.3
160.05222	0.9
163.03899	1.0
165.06995	1.6
167.08565	1.2
169.04990	1.1
173.05981	1.5
177.05481	0.9
178.07782	1.2
179.08592	1.6
181.10098	1.3
184.07367	1.0
187.03909	34.3
188.04237	1.5
190.07762	0.5
191.08588	1.1
193.06482	0.7
193.10162	4.0
194.07315	0.5
195.08070	2.2
197.06009	0.7
202.07841	0.8
203.08580	3.5
205.10092	2.0
207.08104	1.7
209.09631	3.6
211.07567	0.9
212.08295	0.5
213.05548	0.6
216.09334	0.5
217.04846	0.9
217.10249	0.5
219.08008	2.1
221.06007	0.5
221.09598	4.3
222.06769	0.5
223.07553	1.7
224.08275	0.8
225.05428	0.6
225.09044	3.0
227.07150	0.8
231.08040	5.8
232.08778	0.6
233.09598	5.3
234.06755	0.5
235.07533	0.8
237.09134	5.3
239.07024	11.7
239.10635	5.2
240.07719	1.7
241.08595	5.7
245.09666	1.8
247.07495	1.5
247.11230	0.7
248.08263	0.6
249.09103	6.4
250.09288	0.6
251.06999	1.1
251.10696	1.5
253.08566	6.4
254.09009	0.7
255.10223	1.1
259.07587	2.4
261.09042	4.9
263.06937	0.8
263.10690	1.6
264.07837	1.2
265.08633	3.8
266.09250	0.6
267.06558	5.2
267.10150	7.4
268.07281	3.5
269.08038	4.5
273.08862	0.7
275.10678	1.5
277.08627	13.1
277.11777	0.7
278.09280	2.9
279.10132	5.1
280.07480	1.3
280.10535	0.5
281.08054	1.8
281.11713	0.6
283.09567	3.9
291.10193	3.6
291.13248	0.6
293.08167	4.1
293.11359	1.1
294.08762	0.6
295.09650	12.1
295.12689	0.4
296.10034	0.7
304.10660	0.6
305.08099	4.9
305.11597	1.7
306.08823	0.7
307.09674	3.6
307.13092	0.8
308.06738	2.1
309.07510	1.2
309.11194	2.1
311.09125	100.0
312.09491	5.0
315.13696	0.8
317.11636	0.8
319.09613	1.6
319.13327	1.5
321.11191	1.3
323.09149	35.3
324.09549	2.1
325.10519	3.4
327.09799	0.8
329.11588	1.4
330.12582	0.5
333.14847	0.9
335.12595	0.9
337.10617	1.2
337.14288	0.7
343.13196	0.8
347.12796	0.8
357.14569	0.8
361.14090	0.8
365.13550	0.7
379.15161	0.7
381.16806	0.9
393.16882	1.3
407.18546	1.1
543.38208	1.8
553.36743	4.4
554.36682	1.0
561.39410	7.6
562.39734	1.5
571.37878	6.4
572.38177	1.0
589.38885	48.1
590.39178	6.7
781.43402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
57.70058	0.1
58.53868	0.1
63.02419	0.2
65.03941	0.3
69.03438	0.3
69.60642	0.3
69.61034	0.4
70.06580	0.2
71.74771	0.1
73.80402	0.2
77.03925	0.2
79.05492	4.5
81.03429	0.2
85.02923	0.4
86.09728	0.2
89.03924	0.4
90.04713	0.4
91.05476	2.5
92.02599	0.2
95.04987	0.9
97.02890	0.4
102.04663	0.2
102.90024	0.1
103.05463	6.2
104.07168	0.2
105.07027	51.6
106.07378	1.3
107.04961	0.4
109.02846	0.2
115.05447	10.2
116.05773	0.3
117.65731	0.1
118.04152	3.2
119.04945	0.4
120.01220	0.2
127.03902	0.3
131.04919	3.3
132.05785	0.3
133.06485	50.8
134.06822	2.3
137.05974	0.6
143.04904	0.9
143.06015	4.7
145.06372	0.1
161.05969	100.0
162.06311	3.9
163.07516	0.5
167.07013	0.3
178.06181	0.3
183.06508	0.2
187.07463	0.2
193.08594	89.2
194.08929	3.8
205.08685	0.3
225.07600	0.3
357.13245	0.2
498.53601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
55.05509	5.5
56.05032	0.8
57.03440	3.3
57.07062	0.5
57.78121	0.4
59.88840	0.4
61.02931	2.3
62.06083	0.6
64.56300	0.4
65.03939	0.5
67.05503	6.0
69.03078	0.8
69.03430	9.9
69.07072	17.6
70.06608	2.9
70.07410	0.5
71.04994	2.1
71.07364	0.5
71.31392	0.9
72.08157	5.0
73.02914	2.0
73.06568	2.2
79.05499	4.4
81.03424	4.5
81.05807	0.6
81.07059	14.5
82.06568	0.5
83.01326	0.4
83.04976	1.5
83.08608	1.1
84.08144	1.7
85.02421	1.0
85.02908	14.0
85.06546	1.8
86.06071	50.3
87.04480	2.2
87.06389	0.8
91.05492	4.8
93.07033	3.6
95.04974	1.7
95.08601	3.7
96.08139	10.6
97.02895	5.7
97.06540	5.8
98.06080	2.2
98.09695	13.1
99.04458	2.6
99.08088	0.5
99.10022	0.5
100.07643	1.0
104.07164	0.7
105.07021	6.2
107.04971	0.5
107.08593	3.1
108.08122	3.8
109.02871	3.3
109.05849	0.5
109.06500	2.4
109.10164	1.4
110.09658	1.5
111.08072	0.7
112.07610	0.7
113.06006	0.7
113.08364	0.6
114.09182	2.2
115.07580	9.0
116.10735	94.5
117.11076	2.4
119.08600	5.4
121.06574	0.7
121.08862	0.6
121.10149	2.8
122.09678	2.4
123.08080	0.5
123.11714	3.4
124.07617	3.1
125.06067	0.6
125.09627	0.4
126.09152	1.1
127.03906	4.6
129.07024	1.3
131.08569	1.5
133.10112	2.8
134.09650	1.0
135.08073	0.5
136.11180	0.8
136.74570	0.4
137.05986	1.1
137.13219	0.6
138.09163	0.9
140.10704	2.0
141.09126	1.3
142.08649	15.0
145.04976	1.4
145.10092	0.9
147.11693	11.1
149.02368	0.8
149.09657	0.6
149.13344	0.7
151.11157	1.2
152.10727	1.1
154.12338	0.5
157.10095	2.9
158.11705	0.5
159.10248	0.7
159.11700	0.4
164.14346	0.6
165.12764	4.0
169.12218	0.5
173.09695	0.4
175.11194	3.5
183.13789	0.7
187.13356	0.8
193.12292	2.7
194.15428	1.1
210.18559	1.0
211.13324	1.3
212.16464	43.0
213.14954	0.6
213.16812	2.4
224.20341	0.5
229.14349	4.6
230.17505	11.2
231.17946	0.6
236.16452	0.7
237.14902	1.2
248.20107	0.6
255.15919	1.3
264.23206	1.0
266.21170	1.3
271.05984	0.5
272.18457	3.2
273.16986	0.6
278.15973	3.9
282.24234	5.2
284.22229	3.6
290.21207	0.6
304.48724	0.5
308.22220	5.3
326.23239	4.7
344.24310	100.0
345.24591	7.3
355.17279	0.7
374.21741	20.9
375.22186	1.0
391.19336	0.9
392.22736	10.6
393.22980	0.8
440.30203	4.6
458.31128	12.2
459.31396	0.9
488.28412	0.5
506.29605	41.2
507.29922	3.3
602.34894	3.0
620.26532	0.7
620.36322	10.9
621.36615	1.6
668.34827	16.5
669.34967	1.7
764.40466	4.1
782.28357	0.5
782.41687	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	782.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05511	5.8
56.05021	1.0
57.03438	2.9
57.07069	0.8
59.04996	0.5
60.04502	0.6
61.02932	3.2
62.06100	1.1
65.03924	0.6
67.05179	0.6
67.05508	7.1
68.05018	0.7
69.03434	11.8
69.07069	17.1
70.06596	3.4
71.01363	0.5
71.04993	2.0
71.07384	1.1
71.30787	0.7
72.08160	5.3
73.02927	2.5
73.06541	2.0
79.05505	5.1
81.03419	5.1
81.05786	0.7
81.06576	1.0
81.07058	16.0
82.06569	0.6
82.07378	0.4
83.01348	0.6
83.04964	2.1
83.07346	0.6
83.08621	1.7
84.08145	2.4
85.02909	16.7
85.06532	1.7
86.06070	54.0
86.09681	0.6
87.04461	1.6
87.06400	0.6
91.03967	0.8
91.05474	6.3
93.07052	4.6
94.06609	0.7
95.04964	2.3
95.08608	4.6
95.57006	0.4
96.08138	10.4
97.02901	7.9
97.06535	7.4
98.06059	2.0
98.09696	12.0
99.04455	4.0
99.08080	1.0
100.07597	1.2
101.02387	0.8
103.03909	0.5
103.05495	0.6
105.07028	7.1
106.07311	0.6
107.04957	0.8
107.08601	4.1
108.08110	4.2
109.02878	2.7
109.06516	2.8
109.10157	2.3
110.09687	0.5
111.06848	0.4
111.08084	1.1
112.07606	0.8
113.05978	0.7
114.09156	2.7
115.03925	0.5
115.05491	0.5
115.07577	7.6
116.10732	100.0
117.11066	2.2
119.08599	6.0
120.08105	0.7
121.06475	0.5
121.08905	0.8
121.10150	3.7
122.09715	2.2
123.08079	1.3
123.11724	3.8
124.07588	2.8
126.09165	1.6
127.03918	4.7
127.07571	0.8
128.10806	0.4
129.06990	1.7
131.08580	1.9
133.10138	3.4
134.09644	0.7
135.11676	0.6
136.11192	0.7
137.05969	1.1
138.09093	0.8
140.10692	2.6
141.09132	1.3
142.08647	16.6
145.04965	1.5
145.10103	0.9
147.11685	12.7
148.12073	0.7
149.02399	1.4
149.09610	1.0
151.11191	1.2
152.10699	0.8
154.12227	1.0
155.17961	0.5
157.10095	3.5
157.18634	0.4
158.11775	0.6
159.11691	0.6
161.13188	0.5
165.12752	4.1
170.11737	0.8
173.13263	1.0
175.11172	3.9
183.13852	0.6
187.13219	0.6
193.08601	0.6
193.12233	3.3
194.15465	1.4
207.06442	0.5
210.18608	0.6
211.13316	1.3
211.16928	0.6
212.16457	48.9
213.15036	0.6
213.16788	2.4
224.20134	0.5
229.14363	5.5
230.17511	11.1
237.14874	1.2
247.15669	0.5
255.15961	1.2
264.23102	0.9
266.21191	1.2
272.18484	3.4
273.16937	0.6
278.16031	4.6
282.24231	6.0
284.22238	3.9
287.05676	0.8
293.13803	0.7
308.22128	4.7
326.23273	7.4
344.24316	99.8
345.24689	8.3
373.18307	1.1
374.21783	19.6
375.22043	1.5
391.19931	0.5
392.22787	10.7
393.22983	1.3
434.83902	0.5
440.30188	5.0
458.31152	11.1
459.31467	1.0
488.28363	0.6
506.29599	42.2
507.29996	4.2
560.56775	0.5
602.35419	3.3
613.99371	0.5
620.36377	9.8
621.36572	1.3
660.59680	0.5
668.34851	16.3
669.35468	3.1
764.40741	5.5
765.40546	1.3
782.41650	4.7
783.27802	0.5
783.41608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07084	1.0
71.08618	1.0
71.31245	0.7
86.09708	100.0
87.10046	1.4
98.09695	1.4
103.05464	1.6
104.10759	0.9
105.07017	1.4
106.02253	0.7
112.11228	7.1
120.08106	45.9
121.08477	1.1
125.12276	0.6
125.39673	0.6
146.09645	1.9
154.15910	18.0
155.16232	0.8
157.13368	11.0
185.12863	13.4
188.14328	7.3
193.05861	0.7
199.18060	17.1
203.04822	0.6
219.11191	1.2
225.19632	6.9
227.17537	11.0
233.16486	16.5
233.18718	1.2
253.19138	7.4
259.18073	2.5
261.15997	15.9
267.24387	6.7
287.17557	2.7
295.23782	5.1
298.21286	8.5
301.22675	7.4
329.22266	4.1
332.19644	6.7
340.25891	4.3
341.25677	0.7
366.27560	2.4
374.24396	4.1
383.30164	2.2
400.25946	3.0
408.31897	0.6
411.29596	5.7
412.29568	0.8
417.28372	1.3
442.30746	1.9
445.28018	5.3
453.34244	1.8
459.33115	0.8
479.35834	2.3
487.32440	1.9
496.38672	1.8
513.34619	4.7
524.38269	4.7
530.37042	1.5
531.85358	0.8
555.39032	2.2
558.36481	11.2
559.36621	1.2
592.44342	1.0
600.40875	1.0
626.43018	6.8
637.45996	2.1
643.45490	5.1
653.44250	0.8
668.47192	1.2
671.33838	0.9
671.45013	13.4
672.45135	1.7
710.18799	0.8
739.50830	3.0
756.54199	5.5
757.53485	1.1
766.52069	2.2
784.53333	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	785.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.7
55.05519	6.1
57.03433	2.1
57.75122	2.3
66.24272	1.9
67.05502	14.4
69.03427	12.3
69.07072	10.7
70.06604	11.3
71.04995	5.8
71.31107	3.7
73.02922	2.6
73.45704	2.0
79.05491	20.2
81.03417	11.1
81.07064	24.1
83.04974	5.8
83.08643	5.0
84.08129	2.8
85.02911	20.1
86.09689	3.3
87.00835	7.8
90.93168	2.2
91.05489	30.3
92.05807	2.0
93.07056	24.4
95.04990	7.1
95.08613	33.1
97.02908	7.9
97.06558	6.1
99.04456	4.4
101.12067	2.1
103.05458	4.8
105.01871	3.9
105.07034	100.0
106.07372	9.2
107.08601	31.7
108.10578	2.1
109.02894	9.6
109.06524	5.1
109.10144	17.1
111.08076	4.9
113.05984	3.6
115.05438	11.1
117.07030	15.5
119.08578	60.3
120.08949	2.2
121.06512	22.2
121.10159	15.2
123.08082	6.0
123.11732	2.6
124.03962	7.7
127.03074	2.5
127.03900	14.4
128.06233	9.4
129.07002	13.2
130.07811	4.2
131.04926	3.9
131.08574	63.5
133.06494	34.0
133.10147	28.3
134.06865	7.3
135.08046	14.0
135.11739	5.5
137.05980	8.6
137.09657	3.5
139.15332	2.2
141.06982	5.7
142.07793	9.3
143.08560	45.0
144.09299	2.5
145.04996	2.5
145.10135	97.1
146.10545	5.2
147.08055	24.2
147.11693	19.5
149.09633	6.7
149.13287	7.6
155.08528	14.1
156.09401	10.6
157.10139	45.7
158.10831	4.3
159.08072	8.3
159.11685	48.4
161.05978	42.8
161.09624	40.3
161.13271	18.9
162.06334	16.8
163.11217	3.0
163.14833	5.1
165.05484	5.0
165.09198	5.1
167.07059	8.1
168.09413	4.9
169.10159	18.4
170.10887	8.9
171.07986	3.4
171.11679	31.1
172.12198	5.4
173.09700	7.4
173.13266	62.6
175.11150	11.3
175.14801	22.7
177.05539	3.3
177.12794	6.2
181.10106	4.5
182.10844	3.9
183.11673	34.9
184.12233	3.1
185.09691	3.7
185.13263	86.4
187.11188	7.8
187.14822	72.0
188.15202	3.8
189.12749	50.6
189.16487	6.6
190.13112	2.5
191.14352	24.1
193.08626	47.5
194.08972	18.7
195.11757	2.8
196.12531	3.1
197.13243	19.2
199.14832	53.1
201.12773	17.3
201.16408	23.1
203.14304	65.3
203.16071	4.2
203.17894	2.4
204.14725	3.8
205.15924	6.9
207.13712	3.1
209.13336	4.2
211.14821	11.4
213.12794	5.2
213.16328	13.7
215.14343	18.1
215.17995	2.8
217.15851	26.4
219.13840	17.2
219.17383	3.4
221.13412	4.6
221.15317	19.4
223.14896	4.8
225.16371	4.4
227.14401	4.0
227.17963	7.1
229.15886	8.4
231.13850	7.8
231.17429	2.5
233.15361	5.1
239.18123	3.5
245.15372	8.8
247.16988	5.0
263.16464	7.0
300.15259	2.5
361.25299	2.8
371.27243	4.3
373.28976	2.8
377.28433	2.7
383.27103	4.5
389.28430	16.2
391.29999	5.7
401.28400	15.7
403.29938	2.7
407.29541	28.4
408.29724	4.2
417.27875	9.1
419.29553	17.2
425.30408	15.7
435.28970	36.8
436.29584	3.6
437.30362	15.2
447.28900	18.5
453.29944	32.4
454.30276	3.4
455.31409	10.5
465.30038	36.0
466.31049	2.7
471.31097	15.4
473.32504	7.6
483.31116	40.2
484.31143	4.9
491.33582	7.3
501.32187	36.1
502.32425	4.5
519.33209	13.8
525.09595	2.6
582.11285	2.3
785.25330	5.5
786.26007	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	786.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.05812	0.4
57.07057	0.3
58.72396	0.2
60.04534	0.3
67.05502	0.4
68.05041	0.4
69.03432	0.8
69.07070	0.8
70.06590	100.0
71.06920	1.6
71.30957	0.3
72.08154	14.0
79.05508	0.5
81.07047	0.5
82.06581	0.5
83.04990	0.8
84.08158	0.5
85.02892	0.4
86.09702	24.8
87.10034	0.4
91.05479	4.4
93.07036	0.7
95.08614	0.5
97.02984	0.2
97.07652	2.1
98.06043	4.3
103.04750	0.2
103.05465	0.9
105.03377	1.0
105.07042	0.6
106.06570	0.7
107.04931	0.5
107.08595	0.2
109.06483	0.2
109.07661	0.6
109.10191	0.4
111.04323	0.2
115.05440	0.2
115.08685	2.8
117.07058	0.3
118.06540	8.6
119.04946	0.9
119.07343	0.7
119.08586	0.4
120.08104	4.2
120.08905	0.3
121.06532	0.3
121.10201	0.4
125.07108	3.2
126.05528	1.7
130.06541	0.5
131.04924	0.7
132.04453	0.4
132.08093	0.4
133.06480	0.3
133.10130	0.3
134.06018	3.2
135.06764	0.5
136.07587	3.4
137.07091	3.9
141.10205	0.6
141.13911	0.4
144.08076	0.3
145.06387	0.3
145.10063	0.4
146.06004	19.8
147.06383	0.4
148.07532	0.5
151.12357	0.3
152.08191	0.7
153.08978	2.3
153.10147	0.4
160.11241	0.6
161.06024	0.2
162.05530	1.1
167.11824	0.9
169.13358	11.8
170.09682	0.6
170.13728	0.4
172.11195	4.9
172.12605	0.2
173.11629	0.2
174.05499	1.2
174.12772	1.2
179.08575	0.6
179.11850	0.4
180.11310	0.9
180.12599	0.7
181.04927	0.5
181.09885	0.4
183.08115	0.3
186.12981	0.3
187.12296	4.3
188.03386	0.2
188.12660	0.3
188.14322	0.5
191.08372	0.3
195.13753	0.3
196.11305	0.3
196.14455	0.4
197.07085	0.3
197.12852	9.8
197.14662	0.5
198.13283	0.4
199.12262	1.2
203.15479	0.4
204.13951	0.6
207.08124	0.4
214.15495	0.4
215.11818	1.7
216.12563	0.8
217.13367	4.8
217.15405	0.4
219.10168	0.4
224.10764	0.8
225.10278	0.7
230.11740	1.1
231.12628	0.3
231.14929	4.6
231.17084	0.4
232.13289	0.5
232.15347	0.3
236.10745	1.7
243.11264	3.1
247.14516	1.1
249.16003	1.2
253.13405	0.5
254.12943	0.5
257.08063	0.4
259.14417	11.9
260.14709	0.6
272.06693	0.3
275.13910	2.5
281.12842	0.3
287.14011	0.4
293.14920	1.9
296.17487	0.4
298.19107	4.3
298.22195	0.3
299.19440	0.4
300.13785	0.4
301.11826	0.6
316.20267	0.4
319.12839	0.5
324.17184	0.6
337.19009	1.4
342.18112	19.0
343.18585	2.2
349.19064	1.0
356.19675	0.6
366.21606	0.4
393.18112	0.2
394.21320	0.8
422.20837	0.9
426.30573	0.2
438.20325	0.7
455.26486	0.7
463.27045	2.0
466.19611	0.7
477.25021	0.4
491.26483	6.4
492.26932	0.6
507.26202	0.4
535.25311	0.4
562.33545	0.3
579.22211	0.3
590.24884	0.7
590.33313	8.2
591.25085	0.3
591.33447	1.2
634.32263	3.4
635.32721	0.5
687.30267	4.7
688.30377	1.0
786.22595	0.4
786.37024	5.9
787.37421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05508	0.4
57.03445	1.7
61.02922	1.4
62.53765	0.4
64.95058	0.3
65.49516	0.4
67.01852	0.6
67.05508	0.9
67.08068	0.4
68.27352	0.3
69.03079	0.6
69.03432	7.6
69.07069	0.8
70.06596	0.6
71.01366	0.8
71.04992	0.8
71.31426	0.6
73.02912	1.5
79.05495	1.5
81.03419	2.3
81.07056	2.3
82.07376	0.4
83.01337	0.7
83.04982	0.7
85.02907	11.9
85.06557	0.6
86.03207	0.3
86.09710	0.4
87.04461	1.4
91.03982	0.8
91.05475	1.5
93.07043	2.9
95.01340	0.9
95.04953	1.1
95.08604	1.4
97.02893	4.3
97.06540	1.0
99.04462	1.4
101.02388	0.4
103.03945	0.5
105.07052	2.1
107.08582	1.6
108.08950	0.5
109.02888	1.4
109.06512	1.0
109.10121	0.7
111.08087	1.0
113.02360	0.5
119.08596	0.8
121.06516	1.3
121.10143	1.0
122.07014	0.3
123.08074	0.5
125.06003	0.6
127.03922	2.7
131.08591	0.6
133.06589	0.5
133.10146	1.0
135.08087	0.6
137.05957	0.9
139.07512	0.4
140.67433	0.4
141.01851	0.9
142.99651	0.3
145.04922	2.5
145.10146	0.9
147.11678	1.2
148.12015	0.7
149.09605	0.9
150.30045	0.3
151.03902	1.6
153.01822	14.5
153.05453	0.4
161.05930	0.5
163.03885	0.6
163.11217	1.5
164.11528	0.6
165.12729	0.8
167.07065	0.9
167.10683	0.5
169.12164	0.4
171.02959	0.4
175.11215	0.9
176.11501	0.5
177.05457	0.9
181.12350	0.4
191.10744	0.8
193.06636	0.8
193.08452	0.4
193.12274	1.1
201.03963	1.5
202.04349	0.5
203.03401	1.0
209.05965	0.4
210.06659	0.5
211.13280	0.7
213.05609	0.6
217.12282	0.8
221.05948	1.3
225.05611	0.4
227.12831	1.0
229.05011	1.5
235.07742	0.4
235.13260	0.6
237.05498	5.2
238.06128	1.0
241.05017	0.7
242.05627	0.4
249.05341	0.6
253.08688	0.6
253.14233	0.7
255.06583	0.5
257.04453	32.3
258.05084	2.9
265.04947	9.6
265.07614	0.6
266.05676	1.7
269.04489	1.4
281.04477	5.6
281.08096	10.2
282.05249	0.9
282.08578	0.8
283.05774	0.9
285.04037	1.3
286.04678	6.7
287.05435	4.5
293.04471	2.8
295.05881	0.7
309.03888	0.8
309.07211	0.5
310.04608	0.9
311.05493	44.8
312.05734	2.7
321.07590	1.3
323.05463	0.5
334.08270	0.8
337.03458	19.9
337.07123	3.2
338.03857	1.2
338.07529	0.4
343.13654	0.4
344.06717	0.5
345.07672	0.6
347.05457	0.8
349.06995	0.5
355.05795	0.9
355.13712	0.4
356.14139	0.5
361.07068	0.7
365.06549	11.1
366.06894	0.7
367.13876	0.7
368.14020	0.7
372.06332	0.7
373.07062	1.9
375.05087	0.8
377.06268	0.4
379.13907	0.5
380.14291	0.6
385.14795	0.6
387.08795	0.4
390.07211	2.1
391.08249	0.4
393.06024	16.1
394.06363	0.8
397.15118	0.6
400.05692	0.9
401.06677	3.6
402.06912	0.5
405.09686	5.4
406.10126	0.4
411.16470	0.4
415.07983	0.6
417.06058	2.2
418.06760	6.0
419.07452	1.3
420.08133	0.5
429.06229	0.5
433.09219	16.3
434.09537	1.3
435.10733	1.7
440.99512	0.5
446.06204	0.6
461.08609	6.3
462.08649	0.8
465.08157	100.0
466.08478	8.8
479.09601	1.2
555.17023	0.7
556.17352	1.4
609.12592	2.5
627.13434	33.6
628.13788	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	790.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.8
57.03438	2.0
61.42641	2.4
67.05508	6.9
69.07070	3.4
69.17778	4.6
69.18176	14.4
79.05492	8.1
81.07069	7.2
83.04987	6.8
83.08636	1.9
91.05484	6.1
93.07067	6.1
94.33907	1.9
95.05003	4.3
95.08639	5.7
105.07056	7.1
107.08622	3.6
117.07038	3.6
118.06570	2.7
119.08628	4.4
121.10181	4.5
133.10132	2.6
135.11781	2.1
145.10179	2.2
159.11777	3.0
194.35092	1.8
195.09053	2.4
197.10806	4.9
207.09206	4.4
208.09924	4.4
209.10754	4.6
210.11473	4.6
211.12242	2.7
212.13286	2.8
221.10851	8.9
222.11578	4.6
223.08618	3.5
223.12299	9.8
224.13098	4.4
225.10359	4.1
225.13858	10.6
226.14586	3.4
235.12395	6.1
236.13094	4.3
237.10262	6.8
237.13921	11.1
238.14670	4.0
239.08272	5.3
244.97984	2.0
249.13846	9.7
251.08290	6.5
251.12000	4.1
251.15366	13.1
252.16307	7.1
253.13495	9.3
253.17003	7.6
256.12195	2.9
259.12564	2.1
263.11859	2.3
265.06177	9.8
265.09766	3.8
275.20111	5.5
276.20557	3.2
277.09802	2.3
279.07797	5.5
279.14822	15.6
293.09406	1.9
297.08774	6.1
297.16229	5.0
311.10345	3.0
325.11850	11.9
335.25861	5.5
337.11871	2.5
350.24036	2.2
351.13672	3.6
353.11487	3.8
417.17270	7.4
418.17661	3.2
430.18454	2.4
431.18811	6.3
432.19376	4.0
433.20334	6.6
444.19458	2.4
445.20972	2.3
446.21078	4.5
447.21817	14.2
448.22522	4.6
459.17786	2.5
461.23779	3.2
475.21173	22.9
475.84866	2.9
476.21729	3.6
487.21121	4.4
489.23315	2.7
503.20224	4.3
507.24216	2.8
519.23859	4.1
529.22339	3.0
533.25336	4.7
535.16577	2.3
535.23071	11.8
536.23236	2.6
541.70819	2.5
547.23584	3.4
561.24963	46.8
562.25732	13.0
563.26404	6.7
589.24451	18.0
590.25183	5.0
610.45483	3.2
621.27032	51.6
622.27625	27.7
623.28308	12.3
636.29242	9.9
637.29669	3.6
726.29224	6.9
727.29321	2.6
730.32281	15.0
731.32611	4.3
758.31757	100.0
759.31683	18.4
790.34399	68.4
790.46948	2.5
791.34259	11.4
791.56982	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.9
55.05516	31.7
57.03434	16.9
57.07078	4.8
61.02928	5.3
65.03920	3.5
67.05505	94.7
69.03426	7.1
69.07070	32.2
69.88155	2.7
71.04995	7.4
73.02890	3.5
74.51746	3.0
79.05497	89.2
81.07056	100.0
83.04982	6.1
83.08628	10.8
85.02912	11.6
85.06565	2.9
91.05483	82.9
93.07046	83.9
95.04971	9.6
95.08604	67.1
97.06556	6.1
97.10181	6.3
98.23348	8.5
103.05469	4.3
105.04517	4.1
105.07031	75.1
106.07355	2.6
107.08597	46.6
109.06515	7.1
109.10155	25.5
111.08086	3.5
111.42304	3.3
115.05494	3.6
117.07005	23.8
119.08584	60.6
121.06537	3.7
121.10133	38.6
123.11680	6.0
125.09743	3.1
129.07042	10.8
131.08577	36.8
132.08841	2.8
133.10147	43.3
135.11676	27.4
138.00063	3.0
139.11192	3.4
143.08559	17.4
145.10130	33.8
147.11681	39.2
149.02751	3.2
149.09583	3.9
149.13257	12.9
157.10161	10.0
159.11703	29.5
161.13283	26.0
163.11150	2.9
163.14757	4.5
169.10068	3.8
171.11714	13.2
173.13342	19.7
175.14833	8.6
176.36012	2.9
183.11716	5.0
185.13303	12.5
187.14885	5.1
189.16414	4.5
199.14885	5.1
201.16432	4.2
213.16335	4.2
215.18030	3.5
218.62129	3.4
241.19580	17.7
243.21118	5.0
257.19080	7.5
259.20590	57.8
260.20938	4.2
261.22144	12.3
275.20145	3.5
277.21725	3.5
315.23218	6.1
317.24698	4.2
333.24237	51.4
334.24573	3.8
335.25787	79.2
336.26169	8.2
337.27441	5.9
545.17560	3.2
593.45282	9.9
594.45789	4.2
611.46637	39.9
612.47064	7.1
701.46497	4.1
711.37115	3.3
790.55377	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05518	23.0
55.41545	1.6
57.03425	7.2
57.07069	7.1
57.72916	1.7
59.37498	1.7
65.03946	4.6
67.05505	93.9
69.03442	11.1
69.07066	18.4
70.82323	4.1
71.04990	4.8
71.08606	2.3
73.02917	2.8
79.05491	73.7
81.03426	10.0
81.07058	100.0
82.30235	2.0
83.04974	4.4
83.08590	9.8
84.88161	1.7
85.02914	12.9
91.05482	47.7
93.07048	89.1
95.04981	8.8
95.08607	64.8
95.09226	2.6
97.02884	8.3
97.06525	4.5
97.10170	4.2
99.04466	4.2
99.08085	4.3
105.04527	1.9
105.07035	36.4
107.04941	4.5
107.08595	49.1
109.02850	2.8
109.06515	5.6
109.10159	36.1
111.04443	3.9
111.08089	4.2
111.76099	2.0
115.00278	1.9
115.05443	2.2
117.07027	17.2
119.08584	31.6
121.06537	2.3
121.10146	44.8
123.08090	4.7
123.11713	16.3
125.09657	4.0
127.03913	5.3
129.07031	6.5
131.08569	33.0
133.06523	3.0
133.10141	23.0
135.08070	4.1
135.11694	34.0
137.09631	3.5
137.13231	6.3
141.06955	2.2
143.08600	4.9
145.04929	3.1
145.10097	23.6
147.07999	2.8
147.11687	18.7
149.09712	2.0
149.13246	22.5
151.11200	3.1
153.12720	2.2
157.10103	5.3
159.08009	2.4
159.11691	19.5
161.13257	13.3
163.11200	2.6
163.14827	16.4
165.12729	2.6
169.10080	3.0
171.11713	6.4
173.09721	1.9
173.13239	20.4
175.11250	2.9
175.14835	4.7
177.16412	4.6
179.14294	2.3
181.10097	2.5
185.13304	5.0
187.14789	10.4
188.52112	1.8
189.16362	1.9
191.14255	2.6
197.13251	3.0
199.14830	2.8
201.16351	4.6
205.15926	2.1
207.11494	2.3
227.03496	1.8
233.22729	3.3
243.21127	23.5
244.21405	2.1
249.14801	2.2
259.20529	4.8
261.22144	73.9
262.22446	4.5
273.21890	2.5
277.14426	3.0
277.21753	3.8
279.23242	2.8
285.22241	2.2
289.21661	4.9
291.23157	2.3
301.21698	3.2
303.23251	4.1
324.95328	1.9
327.22836	3.0
331.06418	2.2
335.25739	12.5
345.24020	3.5
351.23145	4.8
353.26938	12.5
369.24039	15.3
387.25262	7.6
405.26282	11.5
423.27490	4.4
450.81808	2.5
503.26700	2.4
769.07141	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	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.7
55.05516	27.3
56.80907	3.3
57.03450	6.5
57.07085	6.0
60.01789	3.5
65.03940	6.6
67.05514	85.0
69.03436	6.4
69.07072	21.1
69.35480	24.6
73.36346	4.3
79.05502	71.8
81.03444	9.4
81.07065	100.0
83.08632	17.1
84.73273	4.2
85.02917	11.8
91.05490	48.1
92.14153	4.3
93.07047	84.1
93.07628	6.7
95.04984	10.5
95.08615	80.3
96.52888	3.5
97.06505	3.9
105.07053	34.1
107.08595	48.8
109.06493	4.9
109.10169	41.9
111.04514	4.9
111.08117	4.9
117.07034	14.6
119.08592	27.7
121.10146	44.2
123.11726	17.2
127.41479	4.3
130.15976	5.2
131.08603	28.6
133.10117	21.2
135.11716	32.0
137.13243	6.1
137.31757	3.5
143.08591	5.0
145.10126	19.5
147.11707	15.6
149.13269	20.3
157.10112	5.6
159.11684	19.8
161.13287	11.0
163.14804	15.6
171.11714	5.9
173.13284	10.2
175.14816	6.3
177.12752	4.8
185.13408	6.0
187.14847	8.4
233.77631	3.8
243.21205	24.2
261.22168	80.7
289.21735	5.6
315.23022	4.6
335.25836	33.5
353.26883	11.3
369.24091	7.7
387.25208	4.6
405.26187	5.2
580.06299	4.6
668.97827	4.4
792.50861	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05274	1.2
55.05517	13.8
57.03445	9.0
57.07078	1.7
61.02923	2.5
65.03934	3.1
67.05510	54.5
68.05839	0.8
69.07070	11.2
70.83126	1.1
71.04989	1.8
77.03880	0.6
79.05498	35.8
80.05835	0.9
81.07062	50.1
82.07386	1.1
83.05013	1.1
83.08613	5.6
85.02897	2.1
85.06571	1.2
91.03963	1.2
91.05490	19.3
93.07050	35.9
94.07366	1.7
95.04971	2.7
95.08614	36.8
97.02912	1.7
97.06526	2.4
97.10176	3.1
99.08090	1.0
105.04546	1.4
105.07039	16.0
107.08601	19.4
109.06487	1.2
109.10162	18.1
111.08080	1.0
112.07008	0.7
117.07030	6.3
119.08577	13.2
121.10154	15.6
123.08074	0.8
123.11719	6.7
125.09586	0.8
129.07016	1.3
131.08586	9.5
133.10138	12.6
135.11697	12.7
137.09596	1.1
137.13272	2.8
139.11143	0.8
143.08600	1.5
145.10135	7.7
147.11699	8.5
149.13263	5.6
150.13684	0.9
151.11292	0.7
151.14801	0.7
157.10085	1.4
159.11707	8.0
161.13275	7.1
163.14827	3.7
171.11722	2.2
173.13260	5.7
175.14836	3.5
177.16411	1.5
185.13318	0.9
187.14798	3.8
189.16431	1.3
199.14815	1.0
200.15256	0.6
201.16389	1.8
213.16466	0.9
218.70148	0.7
231.21051	1.0
233.22707	0.7
241.19618	1.8
243.21175	5.1
253.99483	0.7
259.20633	7.4
261.22159	16.3
262.22458	1.3
263.23730	1.9
275.20050	0.8
283.68747	0.7
287.23706	0.7
299.23831	1.0
317.24731	2.5
333.24197	5.9
335.25818	100.0
336.26135	6.9
337.27390	10.4
338.27597	0.8
456.73419	0.8
521.43427	1.3
595.47156	12.7
596.47253	1.4
613.48328	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	794.321
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04482	1.0
65.03945	24.2
67.05509	3.3
69.03418	1.6
70.06590	2.9
70.18491	0.8
75.04491	1.2
78.04703	1.6
79.05486	4.6
81.03376	1.5
81.07063	1.3
82.04204	3.8
85.02927	6.7
91.05490	8.3
93.03405	15.0
93.07056	2.8
95.01339	2.2
95.04977	4.9
97.02884	2.3
97.06525	2.4
103.05453	5.3
105.03423	1.4
105.04557	1.3
105.07066	4.6
106.04175	10.8
107.04962	7.4
107.08536	1.0
108.02102	3.6
109.02901	1.7
110.03662	22.1
110.19241	0.9
111.04446	29.7
115.05482	2.9
117.03390	1.3
117.07030	1.0
119.04939	1.1
119.08584	2.5
121.02879	15.7
121.03918	1.5
121.06525	14.2
121.10224	1.4
122.03580	0.9
123.04404	2.8
123.08023	1.1
124.05242	1.2
125.05995	32.5
126.06423	1.0
129.07010	2.4
131.04915	4.4
132.05737	1.4
133.02753	1.3
133.06508	3.3
134.03619	1.8
135.04414	2.5
136.05251	1.2
137.05977	6.4
138.03136	2.7
144.05692	1.5
145.06479	3.7
145.10210	1.3
146.07210	0.9
147.04414	1.8
147.08086	1.4
148.05208	1.9
149.05991	19.8
151.07555	2.8
152.06242	1.2
153.05476	100.0
153.09131	4.5
154.05824	3.6
159.08078	5.4
160.05353	0.9
161.05957	4.7
161.09709	1.2
163.03917	3.5
163.07536	1.9
165.06964	1.3
167.07059	19.7
167.08267	1.0
171.04382	1.1
174.06819	2.3
175.07573	7.5
177.05479	12.1
178.05843	1.6
179.07034	3.9
179.08607	2.7
181.04961	2.9
181.06503	2.1
181.08614	10.2
182.07280	1.5
183.65968	0.9
185.06049	1.4
186.06685	1.1
187.07553	3.7
187.14687	1.0
189.05472	2.0
189.06972	1.1
189.09262	1.1
190.07793	1.7
191.07076	3.1
191.08618	2.8
193.08560	1.9
194.07292	1.6
195.06413	1.1
195.08084	2.0
197.09608	1.3
198.06697	1.0
199.07600	2.3
205.06456	1.8
206.07281	1.6
207.08112	3.0
208.08797	1.6
209.08087	47.2
210.06723	1.6
210.08492	1.7
211.07489	3.0
215.08730	1.1
216.07809	10.3
217.08559	1.7
218.07249	2.4
219.08076	7.2
220.08856	3.1
221.06007	3.2
221.09692	2.2
223.07544	2.9
224.08412	1.6
225.09039	4.5
226.06226	3.3
226.09978	1.1
229.08572	4.9
231.08170	1.1
233.06093	1.5
234.06693	1.6
235.07562	4.7
236.08133	5.4
237.09103	3.5
238.06259	2.0
239.07036	5.7
239.10704	2.8
247.07483	3.8
247.09721	11.8
248.08278	2.0
249.05412	1.4
249.09111	4.0
250.06116	1.2
251.07005	3.1
251.10617	8.8
252.07800	2.0
253.08611	13.0
254.09309	3.9
261.05365	1.3
261.09103	2.6
263.07080	2.9
264.07855	7.0
265.08539	6.3
266.09326	1.7
267.10190	3.3
269.11621	6.0
275.07126	2.2
276.07898	3.2
277.08643	3.0
278.09424	2.7
279.10226	5.3
281.08145	3.8
281.11618	2.5
282.08884	4.4
283.09686	3.4
283.13266	1.7
284.29895	0.9
287.05673	1.3
289.08746	1.3
291.10114	1.7
292.07330	1.9
293.08023	3.3
294.08875	3.2
295.09680	2.8
296.07123	1.2
296.10138	2.0
297.11282	10.8
298.11804	1.3
299.09024	1.0
305.07986	1.3
307.06473	1.0
307.09650	24.7
308.10342	5.1
309.11337	2.9
311.09280	2.3
311.12781	2.9
319.09589	2.2
321.10828	1.3
323.12952	1.6
325.10727	43.7
325.14081	1.9
326.11157	2.8
329.13971	3.1
337.10645	3.0
339.12296	66.6
340.12726	9.3
341.13840	7.9
342.14462	1.8
351.12286	9.4
352.12924	2.4
353.13620	1.3
355.11554	1.8
357.13333	71.0
358.13608	4.8
369.13351	10.2
370.13962	3.9
387.14420	5.1
519.19812	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.0
62.10542	1.3
65.03931	5.4
67.05509	3.5
69.03445	3.3
69.82614	5.7
72.08141	1.3
75.04475	3.2
78.04724	2.1
79.05486	5.7
80.42126	1.1
81.03412	3.4
81.07047	2.7
83.04984	1.6
85.02910	10.1
91.05475	12.9
93.03394	7.9
93.07051	4.1
94.04166	1.2
95.01324	1.4
95.04968	7.7
95.08595	2.2
97.02904	3.2
97.06524	2.2
103.05473	27.5
105.04505	1.3
105.07017	8.3
106.04186	12.7
107.04975	8.7
109.02876	2.4
109.06494	2.8
110.03673	2.5
111.04419	2.1
113.05952	1.8
115.05457	5.6
117.07008	4.1
118.04152	4.3
119.04969	4.2
119.08600	1.1
121.06509	16.7
122.03609	3.0
123.04427	4.5
125.05995	8.3
127.03922	2.7
128.06198	1.2
129.06984	3.2
130.04156	2.0
131.04935	36.8
131.05927	1.9
131.08571	2.3
132.05472	1.2
133.02834	3.1
133.06502	7.9
133.10118	2.2
134.03651	2.9
135.04420	2.3
135.08046	3.4
137.05974	52.8
138.03123	1.2
139.07541	2.8
141.05449	1.5
143.04942	2.4
144.05670	1.8
145.02866	1.2
145.05019	1.9
145.06503	7.8
145.10112	1.5
147.04446	4.3
147.08034	2.3
147.11699	2.1
148.05179	11.3
149.05988	29.6
151.02695	2.5
151.03918	48.4
151.04985	2.7
151.07550	4.4
152.04428	1.3
153.05473	4.0
153.09109	6.3
157.06491	2.3
159.04462	1.3
160.05179	2.2
161.05946	8.8
163.03926	2.0
163.07545	28.0
165.05469	2.9
166.06276	1.2
167.07054	34.7
171.06541	1.9
173.05969	7.2
175.07526	5.2
176.04681	2.5
177.05466	19.6
177.09064	1.9
179.06992	5.3
181.04964	52.7
181.08574	17.6
182.05347	2.4
185.05957	1.2
187.07571	4.4
189.05444	1.8
189.09082	1.6
190.06180	2.6
191.07033	98.3
192.07422	5.8
193.04980	1.4
193.08533	7.5
195.06541	3.4
203.07080	5.9
205.06897	1.1
205.08543	6.3
207.08118	1.6
207.10150	1.6
209.08095	100.0
210.08476	4.0
212.16473	1.8
217.08621	3.4
219.10153	3.1
221.08046	2.2
233.08060	5.8
235.07576	2.5
235.09685	7.1
245.08133	3.0
249.09203	1.2
263.09198	27.1
265.08389	2.2
267.10095	2.3
277.08728	1.5
283.09702	1.9
287.05441	4.4
288.05817	2.0
295.09512	1.6
297.11325	1.5
307.09552	2.1
323.08911	1.2
325.10797	3.1
327.12158	2.2
337.10544	1.8
351.12326	2.1
355.11804	4.0
357.13388	4.5
359.15045	3.1
367.11679	1.4
369.13339	2.9
374.21585	1.3
381.13620	1.1
385.12805	7.8
387.14346	21.9
388.14676	1.7
399.14423	3.5
417.15448	15.5
418.15625	1.8
579.22351	2.6
602.91125	1.2
639.50482	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95757	0.4
63.02378	0.6
65.03930	3.4
67.05511	1.3
69.03436	2.0
71.05000	0.9
78.04721	1.4
79.05503	5.0
81.03416	2.5
81.07080	1.0
82.04205	1.5
83.04984	0.6
85.02903	4.6
91.05485	6.2
93.03419	1.5
93.07060	0.8
94.04206	0.6
95.04969	3.1
97.02921	1.1
97.06528	1.7
101.05994	0.7
102.04705	0.6
103.05464	15.5
103.06123	0.9
105.03416	1.6
105.04499	0.5
105.07028	7.0
106.04208	1.1
107.04956	8.6
107.05616	0.8
108.02110	0.9
109.02901	0.9
109.06545	1.2
109.10171	0.5
110.03665	1.6
111.04446	1.8
115.05434	5.3
117.07014	4.2
118.04170	3.7
119.04957	5.5
120.05704	0.6
121.06528	2.2
122.03668	0.8
123.04422	3.4
124.05209	2.1
125.06005	3.1
127.03941	0.7
128.06207	0.7
129.06992	2.0
130.04140	1.0
131.04924	18.3
131.08563	1.2
132.05678	1.1
133.02838	4.7
133.06479	9.0
134.03676	1.1
135.04477	0.5
135.08058	1.9
137.05972	7.7
138.03134	1.1
139.07480	0.6
141.06973	1.2
142.02620	2.1
143.04930	1.0
143.05974	0.8
144.05669	1.5
145.06474	6.5
146.03627	1.7
146.07181	1.0
147.04413	4.1
147.08040	3.2
147.09021	0.6
148.05188	9.8
149.06000	3.8
151.03900	2.6
151.07574	2.2
152.04654	1.9
153.05461	4.2
155.06029	1.3
155.07097	0.8
156.05583	0.7
157.06506	1.3
159.04472	0.7
159.08051	1.5
160.05214	1.7
161.05972	12.7
162.06572	0.6
163.07535	20.9
164.07912	1.0
165.05440	2.6
165.09157	0.6
166.02711	0.7
167.07036	62.0
168.07367	2.5
171.06566	2.6
172.05232	0.7
173.05975	6.6
174.06596	0.8
175.07552	4.8
176.04665	2.4
177.05479	2.0
177.09077	1.3
179.07039	6.0
181.04951	79.0
182.05363	2.8
183.06461	0.7
187.07526	4.4
189.05399	1.3
189.09016	1.5
190.06233	1.8
191.07019	100.0
192.07367	4.8
193.04895	1.4
193.07001	0.5
193.08611	4.4
195.06535	4.5
201.05466	1.8
202.06148	1.0
203.07024	4.2
205.06747	0.9
205.08611	6.7
207.06410	1.6
207.08122	1.1
207.09912	2.4
209.08057	3.7
212.22533	0.6
213.05396	0.8
214.06146	0.6
215.06926	0.5
217.08614	4.3
219.06322	0.9
219.08249	1.0
219.10149	6.2
220.07263	0.6
221.08028	2.3
223.09650	0.7
224.08224	0.6
225.07523	2.2
227.07089	0.5
229.08508	1.2
231.06468	1.4
233.08073	6.9
234.06754	0.9
235.07457	1.6
235.09628	8.3
236.08249	0.9
237.05191	0.5
237.09105	0.8
241.08569	0.7
245.08055	2.6
247.07492	1.2
251.08998	0.8
252.07697	1.0
255.06448	0.5
263.09143	34.0
264.09476	1.8
265.08374	1.3
265.10831	0.8
267.10229	4.0
269.11652	0.6
279.10056	1.2
283.09711	0.6
285.19507	0.7
287.05481	1.0
292.07443	0.8
293.07877	0.8
295.09476	1.6
297.11108	2.6
299.09332	0.7
307.09482	1.5
309.07715	0.7
309.11102	0.6
311.12589	0.9
315.08578	0.6
324.09940	0.6
325.10709	3.5
327.12021	1.0
329.10153	0.9
329.13721	0.9
331.11566	1.0
335.09186	0.9
337.10522	2.2
339.12091	1.8
344.12158	0.8
346.51166	0.6
353.09863	0.9
355.11554	1.0
357.13367	8.8
359.14749	1.3
367.11740	2.5
369.13333	2.7
371.14728	1.7
381.13333	1.6
385.12762	15.7
386.12833	1.5
387.14404	2.4
389.15829	1.6
399.14420	6.0
413.15823	0.9
417.15424	28.7
418.15796	3.1
547.19611	1.3
794.27423	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	794.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.8
57.07082	7.6
60.50666	0.9
61.02915	3.7
65.03951	5.1
67.05510	100.0
68.05828	0.9
69.07074	40.4
71.04987	3.2
71.08630	3.5
73.02910	0.8
77.03941	1.1
79.05499	44.7
80.05813	1.4
81.03435	1.0
81.07063	98.1
82.07394	2.3
83.04965	2.0
83.08627	18.0
85.02904	3.5
85.06538	3.4
85.10172	1.1
87.04458	1.0
87.18317	0.8
91.03937	1.3
91.05486	31.4
92.05788	1.0
92.08303	0.8
93.07050	53.7
95.04977	4.4
95.08614	75.1
96.08957	2.3
97.02919	2.3
97.06532	6.8
97.10172	8.5
98.23390	1.9
99.08093	2.5
105.04544	2.7
105.07036	21.7
107.08598	28.6
108.08957	1.1
109.06520	1.9
109.10161	30.8
111.08086	2.4
111.11736	2.0
113.09662	1.0
117.06995	6.3
119.08585	17.6
121.10149	24.0
123.08072	1.7
123.11707	13.6
125.09678	1.2
129.06989	1.2
131.08566	12.5
133.10139	15.3
135.11703	16.5
137.09610	1.3
137.13255	4.9
139.11183	1.1
141.89868	0.9
143.08585	1.4
145.10129	7.4
147.11691	10.8
149.13243	9.5
151.14793	2.1
157.10156	1.6
159.11693	6.2
161.13248	10.3
163.14842	6.3
165.16341	1.4
171.11647	1.7
173.13245	6.4
175.14857	5.4
177.16310	1.5
185.13242	1.6
187.14851	2.5
189.16403	1.9
195.33313	0.9
201.16539	1.1
217.19333	1.0
241.19676	1.4
243.21100	5.7
245.22609	2.5
259.20609	3.7
261.22162	16.5
262.22491	1.7
263.23782	3.7
313.92639	0.9
315.23148	1.2
317.24991	4.8
333.24219	2.5
335.25824	64.6
336.26044	2.9
337.27386	75.0
338.27695	5.5
339.28928	3.9
470.66516	1.0
505.43896	1.2
523.44379	2.2
541.45874	1.1
541.79822	1.1
597.48846	24.4
598.48718	3.5
615.41425	1.4
615.49884	13.2
616.50024	2.6
656.27002	0.9
815.70361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.7
57.07064	0.8
61.02934	5.5
67.05506	6.1
68.99786	1.1
69.03080	1.5
69.03431	21.7
69.07066	15.2
70.06590	1.6
71.04999	2.4
71.15718	2.3
73.02912	3.1
75.17918	0.8
77.03909	0.9
79.05497	7.7
81.03419	10.7
81.07047	8.7
83.01346	2.0
83.04988	11.0
83.08627	2.1
85.02910	38.1
85.06536	2.2
86.06060	1.8
86.09732	1.4
87.00831	10.6
87.04498	0.9
91.03944	2.3
91.05476	10.7
93.07043	8.2
95.01342	8.0
95.04960	5.5
95.08614	14.9
97.02896	11.9
97.06535	3.6
97.10180	3.5
99.04461	4.3
99.26761	0.9
103.04010	1.1
103.05450	2.7
105.01870	15.4
105.04605	0.8
105.07031	37.1
106.07345	0.8
107.04966	2.0
107.08591	10.6
109.02880	12.4
109.06515	3.4
109.10161	11.2
110.10379	0.8
111.04434	2.5
111.08080	3.1
113.02360	1.2
113.05987	1.1
115.03967	1.2
115.05470	4.4
117.01846	1.7
117.07015	2.8
118.04204	0.9
119.05006	0.9
119.08580	52.0
120.08888	1.2
120.09325	0.9
121.06512	3.0
121.10155	16.0
122.91616	0.7
123.04398	4.3
123.08112	4.4
123.11722	4.7
123.74063	0.9
125.05994	2.7
125.09672	1.1
127.03915	21.1
127.04780	1.6
129.01845	1.9
131.08575	3.4
133.06496	18.5
133.10129	60.4
134.06868	1.1
134.10617	1.1
135.08038	5.3
135.11681	2.6
136.07632	1.1
137.05969	3.6
137.09631	2.5
139.03951	4.1
139.07504	1.7
141.01828	4.0
141.05508	1.4
143.03400	3.8
143.06046	1.7
143.08574	1.1
145.04980	6.8
145.10150	4.8
147.08060	2.6
147.11691	21.8
149.05988	3.0
149.09631	1.1
149.13281	1.4
151.07570	2.1
153.05450	4.7
153.09114	1.2
157.04976	3.4
157.10167	1.3
159.02902	3.8
159.06540	1.8
159.11681	1.8
160.12425	1.4
161.05977	33.3
161.09608	2.7
161.13242	9.7
162.06329	1.9
163.11133	1.3
165.12720	1.0
167.07060	4.7
169.05014	1.0
171.11670	1.6
173.09639	1.3
173.13307	3.4
175.14824	100.0
176.15468	9.6
177.03949	6.6
177.09050	0.9
179.07097	3.7
179.10646	1.4
183.06529	7.4
185.04472	1.7
185.08124	3.3
185.13240	1.8
187.05948	1.2
187.14793	2.8
189.09123	1.0
191.10564	1.4
193.08598	28.0
193.15868	8.4
194.09171	1.0
197.08142	1.3
198.11363	1.1
199.11310	1.5
201.07576	1.2
203.05478	2.4
203.14357	3.1
205.15932	1.6
207.10197	1.3
211.05952	2.1
211.09659	2.1
213.04018	1.1
213.07637	2.8
215.05525	13.0
215.14365	2.1
217.08577	1.2
225.11209	2.5
226.09441	1.0
229.07039	13.0
231.05034	7.4
231.08595	1.4
243.08612	5.1
249.06067	4.8
253.10666	2.1
255.11305	2.6
255.13812	1.8
257.10217	4.9
271.11761	16.8
272.11780	0.9
287.16470	2.4
295.11813	1.1
301.11838	1.6
305.17535	3.3
315.15918	1.2
333.17001	4.6
333.20422	1.0
351.18008	69.7
352.18430	5.0
362.87964	0.9
369.19501	1.5
374.14630	2.0
427.17551	4.0
536.19757	1.0
581.22021	1.6
597.07178	1.0
603.16394	1.2
793.58862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22549	1.6
65.03938	10.7
67.05503	3.2
69.03429	6.4
70.06602	2.7
71.04991	2.6
71.30786	1.8
72.87768	1.2
75.04456	1.6
79.05491	7.9
81.03409	2.8
81.07059	3.2
82.04195	1.7
83.04964	1.9
84.08127	1.8
85.02901	7.9
91.05488	9.7
93.03416	11.0
93.07033	3.5
95.01320	1.5
95.04975	8.5
97.02908	3.5
97.06540	4.6
99.04433	2.1
100.59286	1.3
103.05477	8.7
105.07039	6.1
106.04168	10.9
107.01305	2.6
107.04953	9.9
107.96884	1.2
109.02914	1.8
109.06517	2.3
110.03677	8.4
111.04466	10.9
115.05456	4.3
117.07021	4.1
119.04946	3.6
119.08558	1.9
121.02859	4.2
121.06504	17.0
122.03617	1.9
123.04476	7.5
125.05985	17.7
126.06274	1.6
127.03923	2.7
128.06250	2.8
129.07001	16.0
131.04915	12.0
131.08565	3.9
133.06497	4.7
133.10219	1.3
134.03680	2.0
135.04413	4.1
135.08057	2.1
137.05971	32.1
138.03191	1.7
139.03874	9.3
139.07506	2.8
141.07002	1.7
143.04932	2.1
145.06470	6.0
147.04425	4.4
148.05173	2.3
149.02267	1.4
149.05977	20.0
151.03897	3.0
151.07549	12.9
153.05473	28.4
153.09077	6.9
154.05882	2.3
155.94852	1.3
157.06473	12.3
158.07249	2.0
159.08061	3.2
160.05240	3.1
161.05977	9.9
162.06619	1.8
163.03893	4.5
163.07573	10.2
165.05527	2.7
165.06923	2.7
167.03409	1.5
167.07050	20.2
167.08418	2.7
169.06461	1.9
169.82416	1.3
174.06754	9.9
175.07532	16.2
177.05472	21.7
177.09106	2.0
179.07040	4.4
181.04965	25.8
181.06410	2.1
181.08556	13.2
182.05423	1.5
185.05894	1.9
187.07565	7.4
188.08202	1.5
189.05466	2.3
189.09099	32.0
191.07036	7.1
191.08629	3.1
193.08612	4.4
195.06586	2.7
195.08070	2.7
197.06055	1.6
198.06824	2.0
199.07504	2.8
201.09213	2.4
202.07823	1.5
203.06885	2.2
205.06580	2.6
205.08609	3.6
206.07314	2.1
207.06332	1.5
207.08138	2.1
208.08890	1.7
209.06226	2.2
209.08075	62.0
210.06696	2.9
210.08466	3.1
211.07539	3.7
212.08208	1.6
217.06496	4.3
217.08598	10.5
218.07242	2.9
219.07988	5.3
219.10161	15.8
220.08626	1.8
221.07922	9.0
221.09932	1.7
222.06628	1.9
223.07549	4.2
223.11208	1.6
224.08432	2.6
225.09059	4.8
226.06250	1.7
227.07021	2.4
231.08278	3.1
233.09660	2.4
234.06764	3.3
235.07516	3.4
235.09615	4.3
236.08342	2.8
237.09113	4.1
238.09792	2.8
239.07022	4.1
239.10725	1.9
240.07774	6.2
241.08499	3.2
242.09239	2.0
246.06519	2.0
247.07439	3.7
248.08301	4.2
249.05460	2.1
249.08965	7.5
249.11340	2.8
250.09613	2.1
251.06998	3.3
251.10669	6.1
252.07674	3.0
253.08574	11.6
253.12241	4.9
254.09167	2.0
255.10136	3.2
257.08142	2.4
261.09061	5.6
262.06235	1.8
262.09940	1.9
263.06964	3.9
263.10660	2.8
264.07813	2.6
265.08643	6.6
266.09335	3.0
267.06653	1.8
267.10110	5.0
268.07263	2.5
269.08154	5.8
269.11646	1.6
270.08719	2.2
272.10355	1.6
277.08569	10.4
278.09293	5.0
279.06934	1.7
279.10101	7.5
280.10608	1.7
281.08105	4.5
281.11740	6.6
282.08655	2.2
283.09781	7.2
283.12842	1.6
284.10257	2.1
285.11166	3.7
287.05502	2.4
289.08585	1.5
291.06735	1.3
291.10156	3.2
293.07993	2.5
293.11594	5.7
294.08966	1.9
295.09619	7.1
296.10321	3.1
297.11160	5.0
298.11942	2.7
299.12830	5.4
300.09851	2.9
306.08887	1.8
307.09503	3.0
309.11191	10.1
310.11594	2.1
311.12759	8.1
313.10641	6.5
313.14331	4.5
314.11240	3.6
321.11200	3.0
323.12872	2.0
325.10690	3.1
326.11591	1.7
327.12283	23.1
327.15836	2.5
328.12894	2.5
329.13834	43.5
330.14136	3.5
331.15485	2.3
339.12302	17.8
340.12628	6.5
341.13730	7.3
343.15265	3.8
353.13693	3.8
357.13275	25.5
358.13672	1.5
359.14880	100.0
360.15121	7.6
361.16397	4.5
371.14880	82.4
372.15182	6.4
375.14294	6.3
389.15924	47.4
390.16724	1.9
394.88129	1.3
444.51367	1.4
689.51129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.8
57.07069	5.0
61.02914	2.7
65.03922	2.3
67.05508	58.2
68.05814	1.1
69.03442	0.8
69.07072	27.1
69.35478	3.5
71.04988	2.0
71.08623	2.7
79.05495	19.0
81.07060	61.6
82.07375	1.5
83.04976	1.8
83.08619	15.4
85.02898	1.5
85.06541	2.2
85.10186	1.1
91.03941	0.8
91.05482	11.1
93.07044	19.7
95.04928	1.0
95.08609	48.7
96.08942	1.8
97.02889	1.6
97.06541	3.7
97.10173	7.1
99.08102	1.5
105.07029	9.8
107.08607	10.7
109.10154	20.6
111.08093	1.9
111.11694	1.9
113.09631	1.3
117.07025	1.5
119.08585	8.0
121.10139	10.2
123.11717	8.4
125.09647	1.3
128.04390	0.6
131.08556	2.7
133.10143	7.2
135.11687	5.4
137.13257	3.5
145.10115	2.9
147.11723	4.6
149.13242	4.4
151.14804	1.4
159.11737	1.3
161.13304	3.6
163.14774	3.7
165.16344	1.6
173.13283	0.9
175.14842	2.6
177.16380	0.9
182.50584	0.6
184.07341	0.9
189.16322	1.0
193.19511	0.9
219.21153	0.7
233.22612	0.9
243.21027	2.5
245.20467	0.6
245.22650	4.0
249.14114	0.6
249.25729	0.7
261.22147	5.4
261.24924	0.8
263.23724	6.1
282.89084	0.7
289.25528	0.7
312.02795	0.8
317.24673	1.4
319.26218	0.8
323.06143	0.6
335.25836	6.7
337.27365	100.0
338.27744	8.0
339.28967	7.4
505.38828	0.7
525.46606	1.3
543.47260	1.1
599.50378	28.9
600.50525	4.2
617.41809	1.2
617.51324	18.0
618.52032	3.9
672.15820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.67803	0.3
61.02929	8.3
65.03947	0.5
67.05505	6.9
68.05814	0.4
69.03432	4.7
69.03777	0.5
69.07067	1.5
71.01353	0.7
71.05012	0.8
73.02921	5.2
79.05499	5.6
81.03412	1.7
81.07062	7.3
81.07529	0.6
83.04978	0.6
83.08611	0.6
85.02903	7.4
85.03368	0.5
87.04480	0.6
91.03955	4.7
91.05479	2.6
93.07048	5.3
95.05001	0.7
95.08611	5.0
97.02895	6.6
97.06561	0.4
97.10165	0.3
98.23455	0.7
99.04481	1.2
101.02375	2.1
105.07034	2.2
107.08614	2.3
109.02908	1.0
109.10167	1.2
115.03947	0.5
117.05605	0.4
117.07065	0.6
119.08582	1.5
121.10142	2.2
123.11705	0.5
127.03922	2.1
131.08603	1.3
133.10150	0.8
135.11703	1.2
145.05034	0.6
145.10165	0.6
145.89560	0.3
147.11729	0.4
148.81757	0.3
149.13307	0.8
185.04243	0.4
203.05353	0.8
228.94266	0.4
243.08531	1.7
335.25888	0.8
464.55899	0.3
486.85025	0.4
497.31021	0.5
519.21350	0.8
519.29285	16.0
520.29700	1.4
711.87488	0.3
797.51685	100.0
798.52032	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	799.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
61.66757	1.3
67.05504	2.1
68.41008	1.1
69.07083	1.4
71.32982	1.4
79.05507	2.9
81.07073	3.1
83.08652	1.4
85.02917	1.9
86.09734	3.8
91.05503	1.4
93.07059	2.0
95.08634	3.1
97.02911	1.9
102.78378	1.2
103.05511	1.3
105.07018	9.0
107.08646	1.6
115.05478	2.0
123.03754	1.2
125.00026	3.0
133.06517	5.8
161.06017	6.0
184.07362	11.7
193.01109	1.1
199.77701	1.2
339.29178	1.8
399.17953	1.2
413.17819	1.3
428.20038	1.6
430.21729	1.6
431.18533	1.8
443.18372	2.4
445.20071	2.8
456.19965	1.6
457.20026	2.3
459.21841	5.6
460.22678	2.2
461.23276	1.4
469.20685	1.4
470.21091	1.4
471.22018	3.8
472.22705	3.4
473.23700	4.0
484.22784	1.3
485.23880	3.3
519.23529	1.5
531.23883	2.1
547.27118	6.9
559.27106	7.9
591.26312	1.3
619.29346	5.1
631.29517	1.5
637.27972	3.4
697.30164	2.2
725.34064	2.4
739.34351	5.8
799.37219	100.0
799.53003	16.3
800.37549	18.6
800.51947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	19.8
61.02914	3.8
62.56050	1.5
67.05505	10.2
69.03426	24.7
69.07058	5.8
70.06581	2.9
71.01337	3.6
71.04993	22.7
72.08151	2.5
73.02917	27.7
75.04469	4.9
79.05512	7.7
81.03410	2.4
81.07058	15.4
83.04980	15.8
83.08646	1.7
85.02906	57.4
86.09686	1.8
87.04459	3.0
87.58580	1.5
91.05462	13.6
93.07049	18.1
95.04975	14.6
95.08047	3.0
95.08611	43.8
97.02888	29.7
97.06509	3.8
99.04417	2.6
103.05482	2.6
105.07030	26.0
107.04923	1.8
107.08594	21.2
107.50911	1.8
109.02882	2.2
109.06528	4.4
109.10161	12.6
109.88612	1.6
111.04424	11.6
113.05918	1.8
115.03896	13.9
115.05449	3.1
117.07011	5.1
119.07771	3.1
119.08588	44.5
121.06520	4.4
121.10120	15.3
123.08037	5.6
123.11699	6.1
129.05508	13.3
129.06987	2.9
131.08565	22.6
133.04930	2.5
133.06499	4.6
133.10149	18.7
135.08032	5.5
135.11641	8.6
137.05997	2.3
137.09662	4.0
139.03899	2.7
141.07057	1.9
142.07861	2.1
143.08551	11.0
145.10126	32.2
147.06549	6.1
147.08018	5.2
147.11670	10.7
149.09583	3.5
149.13280	3.7
151.11137	1.8
155.08531	3.5
156.09277	3.1
157.04973	1.7
157.10133	14.6
159.11687	18.6
161.05963	3.3
161.09628	9.0
161.13277	10.6
163.11198	2.2
163.14828	5.2
169.10141	4.1
171.06464	2.1
171.11653	7.5
173.13280	15.7
174.13741	2.4
175.11176	2.2
175.14835	11.2
177.12714	2.6
177.16376	2.2
183.11748	3.8
185.13261	8.6
187.14818	40.8
189.12694	6.9
189.16338	11.9
191.14308	3.9
195.11667	3.1
197.13229	2.8
199.14769	12.6
201.16388	15.0
203.14311	33.8
203.17926	2.7
205.15886	9.7
209.13240	2.2
211.14821	6.3
213.16425	9.9
215.14345	5.8
215.17947	2.0
217.15918	9.6
219.17395	2.3
223.14816	2.2
225.07562	6.0
225.16359	3.0
227.17824	3.2
229.15916	6.0
231.17453	5.7
233.15370	2.9
239.17958	3.8
241.19568	2.6
279.10797	2.8
281.22635	2.1
391.29968	2.5
403.29968	5.6
405.31302	3.0
410.71442	1.6
421.30896	9.1
423.32574	4.0
437.30557	3.3
439.31995	3.9
449.30444	7.2
455.31567	89.5
456.31747	9.5
467.31412	12.3
485.32617	100.0
486.32999	12.5
496.34317	1.8
503.33655	74.6
504.33966	10.0
521.34894	15.7
522.35663	2.1
582.60675	1.6
617.35895	1.7
667.39319	1.7
799.27295	9.1
800.27032	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.6
61.02908	2.9
67.05508	13.6
69.03426	15.3
69.07059	5.4
69.26044	6.0
70.06577	3.6
71.01350	2.6
71.04992	24.7
73.02917	15.7
75.04472	2.7
79.05498	8.9
81.03400	2.4
81.07056	14.1
83.04989	7.9
83.08604	3.9
85.02907	46.4
87.04459	2.2
91.05475	10.8
93.07053	20.0
95.04974	10.0
95.08605	44.8
96.08928	2.1
97.02886	12.0
97.06525	3.8
97.10116	1.5
99.04449	2.7
99.08097	1.4
100.77322	1.3
103.05465	1.3
105.07024	28.6
107.08595	20.8
109.06519	3.7
109.10162	14.4
111.04430	7.3
111.08054	1.5
113.05989	1.4
115.03925	12.1
115.05416	1.9
117.07003	4.8
119.08578	46.6
120.08946	2.7
121.06539	5.2
121.10136	18.5
123.04416	1.2
123.08073	6.6
123.11681	3.8
125.09681	1.2
128.06184	1.5
129.05492	10.3
129.07028	4.8
131.04984	1.3
131.08563	20.5
133.05003	2.0
133.06477	5.3
133.10133	20.4
135.08051	6.2
135.11687	6.9
137.09615	3.1
139.03920	3.2
142.07790	3.4
143.08557	12.5
144.09337	1.3
145.10120	33.3
147.06555	5.7
147.08011	5.2
147.11693	13.2
149.09625	2.7
149.13237	4.2
151.11124	1.4
155.08556	3.8
156.09332	2.7
157.04851	1.3
157.10152	12.9
158.10909	2.3
159.08118	1.2
159.11679	19.8
159.76447	1.1
161.05951	5.7
161.09631	5.9
161.13249	11.8
163.07574	1.3
163.11188	1.6
163.14815	3.5
165.07623	1.2
165.09068	1.6
169.10120	5.6
170.10873	1.1
171.11678	9.3
173.09737	1.1
173.13251	14.4
175.11176	2.3
175.14827	10.8
177.12738	2.5
177.16394	2.0
179.14197	1.3
183.11700	5.4
184.12425	1.8
185.04176	1.5
185.13252	10.2
187.14818	41.2
188.15189	2.0
189.12753	7.2
189.16400	8.6
191.14288	3.4
193.08643	7.3
193.10124	1.5
195.11713	1.4
197.13213	4.6
199.14816	13.3
201.12700	2.3
201.16367	12.4
203.14305	30.8
203.17918	2.9
204.14632	1.6
205.15868	11.8
211.14784	4.4
213.16367	11.8
215.14391	6.7
215.17964	2.8
217.15852	7.3
219.13757	1.5
219.17451	3.0
221.13432	1.5
221.15416	1.5
223.14830	2.5
225.07642	2.9
225.16325	2.8
227.17970	3.0
229.15932	6.0
229.19525	1.5
231.17444	6.1
233.15425	2.9
235.16942	1.6
237.16269	2.3
239.17923	3.4
241.15921	1.5
241.19464	1.8
243.08614	1.2
245.15335	1.6
247.16985	2.7
250.88020	1.1
253.19412	2.6
255.17545	1.2
257.19235	1.4
261.09692	1.2
263.17978	1.1
279.10748	2.7
299.07364	1.1
307.20377	1.2
363.65414	1.2
379.22134	1.3
385.28644	1.9
391.29868	3.8
403.29883	7.0
405.31433	4.1
409.30734	2.2
419.29617	1.7
421.31021	10.2
423.32584	4.9
431.29343	2.9
432.64691	1.1
437.30508	4.2
439.32053	4.4
449.30533	10.5
455.31555	80.8
456.31879	8.8
467.31567	19.3
468.32162	2.3
485.32602	100.0
486.33057	9.5
503.33643	68.5
504.34109	7.1
521.34753	15.4
522.34973	1.6
587.35468	14.5
617.36932	11.1
635.37421	4.8
667.39972	3.1
786.08990	1.3
799.27740	24.6
800.27551	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	799.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.9
59.04992	1.2
61.02919	3.0
65.03916	1.8
67.05507	10.8
69.03428	13.3
69.07060	8.5
71.04992	27.5
73.02550	1.7
73.02914	15.1
75.04478	3.4
79.05491	8.9
81.03429	1.2
81.07057	16.0
83.04987	11.4
83.08586	1.7
85.02905	47.4
91.05465	11.2
93.07042	16.6
93.07611	1.3
95.04968	10.2
95.08602	39.2
97.02882	12.9
97.06528	3.9
99.04456	2.6
103.05434	1.2
105.07027	22.7
107.05009	1.8
107.08591	21.5
109.06515	4.5
109.10152	14.9
109.92514	1.1
111.04450	8.0
111.08089	3.3
115.03931	11.0
115.05435	1.4
117.07016	4.8
119.08584	43.2
120.08964	1.4
121.06512	4.6
121.10139	17.7
123.08060	4.8
123.11704	4.5
127.03893	1.5
128.06216	2.3
129.05479	11.1
129.07022	3.7
131.08556	20.3
133.04945	1.6
133.06482	2.0
133.10127	18.9
135.08081	6.4
135.11650	7.7
137.06036	1.2
137.09628	2.0
139.03885	2.0
142.07803	2.2
143.08549	10.5
144.09326	1.3
145.10121	31.3
146.10463	1.3
147.06558	4.2
147.08063	4.7
147.11699	9.8
149.09598	5.4
149.13297	5.7
155.08582	2.8
156.09343	3.3
157.10117	13.1
158.10829	1.8
159.08095	3.3
159.11696	19.9
161.09602	5.2
161.13271	12.3
163.11159	1.7
163.14821	3.8
165.09105	1.3
165.12744	1.2
169.10127	5.7
170.10907	3.0
171.06517	1.2
171.11665	11.3
173.09561	2.0
173.13269	15.5
175.11267	3.1
175.13387	1.7
175.14816	13.6
177.12761	3.8
177.16402	2.9
179.14320	1.3
181.10085	1.7
182.10948	1.6
183.11664	5.0
185.13232	8.3
187.11221	2.3
187.14816	44.5
188.15251	1.9
189.12730	7.7
189.16403	9.1
191.14391	5.9
193.15834	1.1
197.13188	5.6
199.14845	12.4
201.12799	1.4
201.16359	14.4
202.16695	1.2
203.14305	33.7
203.17986	3.5
205.15897	7.8
209.13242	2.1
210.13815	1.2
211.14809	3.5
213.12823	1.7
213.16399	10.1
215.14288	8.2
215.17949	3.1
217.15884	8.9
219.13879	1.7
219.17374	1.4
223.14804	3.1
225.07594	3.6
225.16371	5.3
227.14291	2.6
227.17978	4.7
229.15820	7.5
231.08755	1.1
231.13866	1.4
231.17441	5.5
233.15359	4.2
237.16397	1.2
239.17990	1.8
241.15797	1.8
243.08630	2.7
245.15495	2.1
247.17027	2.5
253.19502	2.6
261.09509	1.3
263.17932	1.3
265.19559	2.2
272.80508	1.2
273.18588	1.2
279.10678	2.9
279.21298	1.9
281.22452	1.2
307.24121	1.1
345.25473	1.2
371.26196	1.5
373.28613	1.4
375.29993	1.4
385.28415	1.4
387.30325	1.7
391.29953	3.3
403.30014	5.9
405.31403	5.4
409.30908	2.0
419.29489	2.5
421.31158	8.8
422.31744	1.8
423.32538	5.1
431.29443	3.6
437.30579	3.8
439.32147	5.3
449.30438	9.9
455.31540	76.8
456.31937	8.2
457.33215	1.3
467.31546	19.0
468.31848	2.0
485.32617	100.0
486.32889	11.5
503.33646	67.1
504.33942	7.8
521.34735	14.0
587.35638	13.0
588.35413	1.6
617.36865	9.0
618.36920	2.1
635.37701	3.4
667.40100	2.9
799.29187	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.6
61.02934	3.0
61.12593	1.4
67.05509	10.8
68.16969	1.5
69.03431	17.7
69.07064	5.0
70.06586	3.4
70.94128	3.2
70.94484	1.8
71.01343	2.3
71.04996	26.0
73.02914	17.4
75.04494	2.0
79.05496	8.0
81.07073	14.9
82.80625	1.5
83.04990	10.6
83.08602	2.7
85.02910	49.6
87.04467	2.3
91.05474	14.6
93.07052	21.6
93.13438	1.6
95.04980	11.8
95.08611	40.6
96.08942	2.1
97.02901	15.4
97.06550	3.2
99.04447	3.7
105.07036	23.4
107.08599	29.4
109.06533	4.8
109.10167	15.8
111.04472	9.2
111.08088	2.9
115.03939	10.3
117.07016	4.9
119.07764	3.4
119.08588	45.9
119.09445	2.4
121.06531	4.8
121.10142	15.9
123.08046	5.9
123.11728	4.5
125.06032	2.7
128.06166	1.6
129.05496	12.2
129.07040	4.2
131.04874	1.9
131.08569	23.1
133.10132	17.3
135.08067	5.0
135.11688	7.5
137.05980	2.6
137.09644	3.0
143.08545	10.2
145.10130	32.0
147.06549	6.1
147.08028	8.5
147.11725	10.2
149.09622	3.6
149.13269	5.3
153.05463	3.1
155.08528	2.6
156.09407	2.4
157.10143	10.4
158.10893	2.4
159.08128	2.1
159.11691	21.4
161.09668	6.7
161.13255	14.2
163.11160	1.9
163.14836	5.3
169.10123	3.8
171.11742	8.3
173.09654	1.7
173.13277	15.1
175.11179	3.2
175.14818	12.1
177.12750	2.3
177.16377	3.7
181.05019	3.4
183.11665	4.5
185.13191	9.8
187.14816	40.9
188.15224	2.0
189.12772	7.8
189.16348	11.6
191.14333	4.5
197.13300	4.2
199.14767	13.1
201.12688	2.5
201.16402	17.9
203.14320	36.8
203.17992	3.2
204.14717	3.0
205.15855	9.3
209.13225	2.2
211.14868	4.4
213.16344	10.4
215.14308	7.2
215.17979	3.5
217.15941	9.0
219.17407	2.4
221.15366	2.0
225.07600	4.1
225.16441	3.2
227.14310	2.5
227.18060	3.6
229.15863	5.9
231.17491	5.6
237.16591	1.8
239.17982	1.9
245.15460	2.7
245.19147	2.0
265.19250	2.1
307.24243	2.5
326.11191	2.9
339.12463	2.1
357.13040	2.2
358.13599	3.3
371.25714	2.1
385.28967	3.0
391.29950	2.9
393.31488	2.1
401.28162	1.9
403.29852	6.7
405.31479	2.8
421.30997	7.0
423.32648	5.0
431.29437	3.7
437.30496	4.6
439.32166	6.0
449.24631	2.5
449.30322	12.9
455.31589	72.0
456.31790	7.5
467.31552	15.8
485.32629	100.0
486.32983	12.1
496.34009	2.5
503.33658	70.3
504.34061	8.2
521.35016	15.3
522.35187	2.1
587.35950	9.4
601.37292	2.2
610.74994	1.9
617.36774	10.0
635.37848	4.1
667.40326	2.4
799.29834	3.2
799.43823	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	799.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.3
61.02932	7.9
65.03938	0.4
67.05509	8.3
69.03436	5.3
69.07071	2.8
70.46360	0.6
70.46688	0.4
71.01367	0.9
71.05008	0.6
73.02922	6.3
75.04475	0.4
79.05497	4.3
81.03433	2.6
81.07062	8.6
83.04980	0.7
83.08611	1.6
85.02914	7.4
87.04474	0.5
91.03965	4.0
91.05486	2.7
93.07053	3.8
95.08610	6.0
97.02904	5.9
97.10193	0.9
99.04465	1.2
99.08128	0.3
101.02387	2.4
103.03956	0.6
105.07047	1.7
107.08596	2.5
109.02899	1.2
109.10195	2.6
115.03931	0.3
119.08627	1.1
121.10159	1.6
121.18643	0.3
123.11765	0.9
127.03915	2.0
131.08609	0.6
133.10172	1.1
135.11760	1.0
145.04964	0.4
147.11771	0.4
149.13330	0.3
185.04236	0.6
203.05365	0.7
224.55009	0.3
243.08469	2.2
337.27551	0.5
470.24359	0.3
519.29285	6.8
520.29584	0.7
521.30884	9.5
522.31293	0.9
741.99579	0.4
799.53284	100.0
800.53650	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	801.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.8
57.03677	0.3
61.02909	0.7
63.02346	0.3
68.99787	0.6
69.03432	2.7
69.80202	1.0
71.04969	0.7
78.04714	1.4
79.05456	1.2
81.03420	2.7
85.02441	0.4
85.02910	5.7
85.16108	0.3
89.03912	0.6
90.04691	0.6
91.05502	2.2
93.07019	1.0
95.04934	0.9
95.08546	0.4
97.02901	1.7
99.04458	5.4
102.04665	0.7
103.03953	3.7
103.05473	5.2
104.05727	0.3
104.06248	3.2
105.03364	0.4
105.07044	6.8
106.04148	0.8
106.07375	0.4
107.04971	2.1
109.02892	2.3
115.05453	2.8
117.03358	1.1
118.04187	2.5
119.04903	1.1
120.05683	0.3
121.02814	0.3
121.06504	3.3
123.04391	0.5
124.05162	0.5
127.03919	3.7
129.99751	0.3
130.04169	2.0
131.04936	19.3
132.05722	19.1
133.02855	0.4
133.06516	5.6
134.07234	1.2
135.04384	0.6
137.05991	0.3
140.04672	0.8
141.07024	0.4
143.04922	0.6
143.06033	0.6
145.02817	0.9
146.03647	2.4
147.04372	1.5
148.05168	0.9
149.05989	13.3
150.06287	0.3
152.04657	0.4
153.01836	8.2
154.06235	2.4
159.04379	0.5
160.05185	5.3
161.05988	18.6
162.03131	0.7
162.06783	6.0
163.03905	0.6
163.07475	0.6
164.08340	2.2
166.06253	0.8
167.07048	9.3
168.07413	0.4
173.05965	0.4
176.04637	1.9
177.05484	4.8
178.06287	2.8
179.06931	0.7
180.07806	0.6
181.05118	0.4
181.08588	6.6
182.09372	1.8
191.07042	6.1
192.07813	16.5
193.08611	7.6
197.05957	0.8
203.03395	3.8
208.07332	0.6
209.06180	0.6
209.08089	6.8
210.08879	3.3
213.05508	2.2
225.05421	0.8
229.04973	7.0
239.03342	0.3
239.07074	0.8
241.04971	3.2
242.05734	5.4
253.04947	1.3
254.05583	0.3
255.06618	0.6
257.04456	58.3
258.05182	15.7
259.05637	0.8
267.06525	0.6
269.04480	1.3
270.05249	1.0
271.05884	0.6
272.06720	0.5
282.15582	0.3
283.05951	1.0
285.03964	7.6
286.04718	31.3
287.05475	18.9
288.05826	0.9
292.13217	0.5
294.10910	1.1
295.05933	1.3
297.03946	10.7
298.04391	0.5
299.05466	0.4
300.06378	1.3
301.06967	0.5
311.05508	3.7
323.05518	10.3
324.05823	0.5
327.05212	0.5
336.11978	0.8
341.06461	1.4
343.09976	0.3
349.07556	0.3
354.13104	2.0
373.06656	0.4
383.07626	0.3
385.07080	0.5
399.08728	0.9
403.08496	0.4
413.06558	0.9
417.09750	1.5
419.07550	0.8
444.08270	0.4
445.09201	6.5
446.09940	0.6
447.07108	0.8
459.10486	0.4
462.09369	1.2
465.11844	1.0
477.11838	17.8
478.12097	1.6
495.12811	8.7
496.13226	0.4
535.29309	0.4
577.17041	10.5
578.17462	1.3
579.14905	1.1
603.15094	3.2
604.15070	0.3
621.16113	9.2
622.16571	1.1
639.17078	100.0
640.17383	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	801.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
57.35313	1.1
61.02925	5.8
65.03948	1.1
67.05515	8.2
67.86540	1.1
69.03442	3.8
69.07080	2.9
69.50005	6.5
73.02929	4.1
76.49255	1.1
79.05518	3.1
81.03423	1.9
81.07044	8.5
83.08638	1.5
85.02908	6.6
85.32048	1.3
91.03978	3.5
91.05498	1.4
93.07024	3.2
95.08613	5.7
97.02909	5.1
99.04454	1.2
99.18315	1.0
101.02386	2.6
105.07083	1.0
107.08599	1.6
109.10169	3.4
119.08576	1.3
121.10204	2.2
123.11710	1.4
182.54991	1.2
185.12904	1.1
218.46376	1.2
243.08531	1.4
337.27524	1.4
352.32101	1.4
521.30927	17.2
522.31799	1.5
522.86761	1.1
634.50885	1.3
801.54822	100.0
802.55396	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
65.89763	0.3
70.41969	0.2
71.30416	0.2
98.97542	0.2
120.08114	0.4
130.53906	0.2
161.23848	0.3
185.04193	2.3
205.04713	3.2
224.70197	0.2
235.01442	0.2
235.05779	0.5
250.08130	3.8
251.08910	6.8
309.09409	0.3
413.14191	100.0
414.14514	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	803.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.1
58.99067	0.6
61.02952	0.8
65.03932	1.1
67.05506	1.9
69.03439	4.8
71.22528	1.4
73.70007	0.6
78.90211	0.6
79.05490	1.3
80.05013	0.7
81.03439	1.1
81.07066	1.1
85.02924	5.3
90.10475	0.6
91.05473	1.5
93.05821	1.0
93.07066	2.3
94.06577	6.1
95.04990	1.0
95.07368	2.3
95.08620	0.6
96.08137	5.0
97.02901	2.1
103.05521	0.7
105.07034	0.8
108.08132	8.4
110.09684	7.3
120.04487	0.9
120.08120	7.9
122.06040	9.1
122.09713	1.2
124.07619	1.2
133.67438	0.6
134.06006	0.9
136.07587	8.8
138.05573	0.9
138.09158	8.6
148.07596	2.9
150.09172	1.2
152.07069	0.7
166.08662	12.7
172.07629	1.0
199.08813	0.7
207.09241	1.0
209.10672	0.7
211.08733	2.6
212.09673	0.7
219.09305	1.0
221.10796	2.5
223.08626	0.8
235.08583	1.4
237.10242	1.7
247.08740	2.9
248.09538	2.3
249.10243	16.2
250.10797	2.2
251.11717	1.5
253.09811	0.7
261.10297	2.2
263.08340	0.7
263.11853	2.2
265.09793	1.8
275.08185	1.5
275.12219	0.6
277.09769	8.8
278.10480	1.3
279.07745	0.7
279.11340	0.9
289.09680	0.9
291.11099	1.4
293.09265	1.5
299.11230	0.7
303.07773	0.8
306.10953	0.7
308.12231	0.7
309.12366	6.3
310.13245	1.5
312.11295	1.1
313.12961	0.8
315.13953	0.8
317.09253	0.8
321.08798	1.4
322.13660	0.8
323.11127	0.8
323.14499	1.2
324.11877	1.3
325.12958	1.1
326.13058	2.8
327.14011	1.5
328.14423	1.7
336.15085	1.3
337.12323	1.0
337.15988	1.2
338.12976	1.3
338.16653	2.2
339.14432	1.5
340.10867	2.8
340.14404	3.8
341.11740	1.9
341.15433	2.0
342.12500	2.6
342.16132	1.3
343.13150	1.0
344.13916	1.0
349.12195	0.9
350.12827	1.8
351.13910	1.2
352.14468	2.8
353.11938	2.5
354.12268	8.8
354.15753	1.0
355.13126	4.6
355.16913	0.8
356.13974	5.8
356.17746	1.0
357.14432	1.2
358.15656	1.3
364.14462	5.8
365.10910	1.1
365.15106	1.6
366.12256	1.6
366.16168	3.8
367.12988	3.3
368.09952	1.1
368.14023	11.7
369.14752	6.8
370.11707	0.8
370.15698	2.9
380.13947	2.8
381.14752	1.3
382.11316	5.2
382.16006	6.2
383.12137	1.1
383.16348	2.8
384.13101	0.9
384.17224	9.2
385.17947	0.8
386.15259	1.2
392.14099	2.8
393.14749	1.3
394.15656	2.0
395.12979	2.6
396.13367	7.9
397.14111	3.5
398.14703	1.1
398.18796	9.7
399.19052	1.0
400.16531	1.8
401.17847	0.8
402.14401	0.9
403.14822	1.1
408.13507	1.8
410.15030	6.4
411.15671	0.9
412.16632	9.7
414.14566	2.7
415.15335	2.4
416.15860	2.0
420.13440	2.6
426.13687	3.6
426.19019	1.5
428.16147	6.5
429.16876	1.5
430.17468	1.5
431.37421	0.9
438.14539	27.7
439.14926	2.8
442.17624	3.7
444.19836	6.8
445.19870	1.1
452.16144	1.1
456.15582	41.9
457.15900	4.2
458.17172	7.2
470.17065	2.0
476.18207	32.3
477.18384	4.5
488.18149	19.6
489.18726	2.8
506.20279	0.8
563.23090	1.1
581.24341	1.0
591.22467	5.8
592.23029	0.8
595.25287	3.2
605.24225	0.9
609.23450	25.1
610.23883	3.1
613.26477	1.6
623.24982	22.0
624.25647	3.4
641.26086	100.0
642.26392	13.8
753.27686	0.9
771.28436	1.4
803.30023	3.0
803.45142	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	805.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.5
61.02922	0.8
65.03939	5.2
66.04712	0.4
67.05516	2.3
68.99776	0.4
69.03429	4.4
69.29417	1.3
69.29834	1.2
70.06601	0.4
71.01386	0.4
71.04993	0.4
73.02911	1.0
77.03904	0.5
78.04710	4.9
79.05486	2.9
81.03410	1.5
81.07040	1.0
82.04186	2.3
85.02419	0.6
85.02904	8.1
86.09695	0.4
87.04461	0.5
91.05476	4.9
93.03400	1.0
93.07036	1.1
94.07370	0.4
95.04960	3.6
96.05767	0.4
97.02901	2.3
97.06534	2.0
99.04457	0.5
101.02373	0.3
102.04675	0.7
103.05442	4.0
105.03401	0.8
105.04504	0.8
105.07014	1.5
106.04183	2.3
107.04952	4.9
107.08614	0.4
108.02080	0.8
109.02882	1.3
109.06535	0.7
110.03674	2.1
111.04419	1.1
115.05455	7.6
117.03368	0.6
117.07018	11.1
118.04198	0.6
119.04929	1.0
119.08582	0.7
121.06528	3.5
122.03629	0.7
123.00761	0.4
123.04427	11.4
124.05241	3.1
125.05984	1.9
127.03917	0.6
127.05425	1.5
128.06192	0.5
129.06964	0.8
130.04189	0.4
131.04932	3.4
132.05690	0.9
133.06461	1.3
134.03642	0.8
135.04420	1.4
135.08000	0.4
136.07590	0.5
137.02322	0.5
137.05962	3.5
138.03125	2.2
138.09154	0.4
139.03899	0.5
140.04683	1.1
142.02608	2.4
143.04916	1.1
144.05643	0.5
145.02821	0.6
145.06482	15.3
146.06815	0.5
147.04437	1.0
147.08055	1.5
148.05174	0.8
149.05966	4.1
151.03915	2.7
151.07521	1.2
152.04663	2.6
153.05464	1.9
155.04857	0.4
155.06026	6.9
157.06494	0.7
159.04396	1.1
160.05176	1.4
161.05989	1.7
162.06793	0.3
163.03931	1.3
163.07503	0.9
164.07086	0.6
165.05498	1.6
167.07037	100.0
168.07381	4.0
171.04347	0.6
171.06534	3.5
172.05229	0.6
173.05981	21.9
174.06438	1.1
175.07553	2.3
175.11014	0.3
176.04681	0.6
177.05463	4.7
177.09096	0.4
178.05928	0.5
178.07822	0.4
179.07010	0.9
181.04956	79.4
182.05330	3.1
183.06551	0.4
187.03845	0.4
187.07515	0.5
188.04684	1.1
189.05464	0.5
190.06265	0.5
191.07036	3.4
192.07683	0.4
193.08557	1.1
194.07323	0.5
195.06633	1.8
201.05428	2.3
203.07019	5.3
205.06696	0.5
205.08586	7.0
207.06474	0.8
207.08290	0.5
207.10114	0.8
209.08034	3.6
209.09773	0.4
210.08499	0.4
211.07545	0.6
213.05505	0.9
217.08650	1.1
219.06416	3.0
219.10011	0.3
220.07175	0.7
221.06104	0.5
221.08121	1.4
222.06766	0.8
223.07552	0.6
231.06505	1.2
233.06233	0.4
233.08080	9.1
234.06718	0.5
234.08794	3.9
235.07509	0.9
235.09625	8.2
236.08141	0.4
237.09167	1.0
239.07211	0.4
249.05417	0.8
250.06236	1.2
251.07040	0.7
253.08617	0.4
261.07629	0.4
263.09219	0.6
264.07733	0.8
265.08551	1.4
267.06567	0.8
267.10059	0.8
274.06479	0.4
276.90808	0.4
277.08636	0.4
278.05869	0.5
279.06287	0.7
281.07925	0.7
282.08743	1.2
283.09589	1.0
287.05685	0.7
292.07285	0.5
293.08011	1.6
294.08728	0.8
295.05981	0.4
295.09518	0.6
296.10406	0.4
297.08035	0.5
297.10999	2.1
298.11578	0.4
299.09015	0.9
309.07678	0.5
310.08377	2.4
311.09048	0.9
313.10413	0.6
314.11179	0.4
323.09134	0.7
324.09839	0.4
325.10605	2.8
326.11441	1.5
327.08749	0.8
327.12152	0.7
329.13913	0.9
337.10748	0.7
338.07578	0.5
341.10034	0.5
342.10931	0.9
345.13177	0.6
353.09955	1.7
354.10913	0.8
355.11743	0.6
357.09116	0.7
357.13324	8.4
365.10141	0.6
367.11655	0.7
381.12793	0.4
383.10837	0.5
383.15250	0.4
385.12793	34.6
386.13309	3.6
387.14349	5.3
397.12766	4.6
398.13373	0.6
399.14359	1.3
403.13785	3.9
404.14200	0.4
415.13928	6.5
416.14551	3.6
417.15411	14.6
418.15805	1.1
545.17633	0.4
559.18188	0.6
577.19263	0.9
595.20520	1.0
596.21661	0.4
625.22595	0.6
643.23853	38.2
644.13776	0.4
644.24115	5.5
805.29041	8.9
806.28638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
57.07055	0.6
59.84579	0.4
61.02944	0.7
63.02374	0.6
65.03938	5.3
66.04733	0.6
67.05508	1.8
68.99780	0.8
69.03433	5.6
69.07095	0.5
69.29052	1.1
69.29474	1.9
70.02074	0.3
71.41910	0.4
73.02921	0.4
78.04702	4.4
79.01894	0.5
79.05495	3.6
81.03429	1.9
81.07065	0.5
82.00608	0.5
82.04201	1.7
83.04993	0.8
84.61057	0.5
85.02907	7.8
85.03384	0.3
91.05480	4.8
93.03409	1.9
93.07034	1.2
95.04972	3.2
97.02895	2.4
97.06535	1.5
99.04473	0.5
103.05470	4.5
105.04535	0.8
105.07029	1.3
106.04169	2.5
107.04961	6.0
108.02106	0.8
109.02879	1.8
109.06547	0.5
109.10142	0.5
110.03664	2.5
111.04459	1.3
114.03184	0.5
115.05461	8.0
117.07027	10.2
118.07382	0.7
119.04939	1.4
119.08567	1.0
121.06515	3.4
121.10107	0.7
122.03709	0.7
122.17016	0.4
123.04436	11.1
124.05231	3.0
125.05989	1.7
127.03934	1.2
127.05439	1.2
128.06226	0.7
130.04129	1.0
131.04929	4.0
131.08624	0.4
132.05705	0.7
133.06471	1.2
134.03658	0.7
135.04405	1.5
135.08104	0.6
136.07555	0.8
137.02423	0.6
137.05960	2.9
138.03163	0.8
140.04707	0.9
142.02603	2.2
143.04938	1.4
144.05699	0.9
145.06491	13.4
146.06853	0.6
147.04384	1.2
147.08031	1.4
148.05170	1.2
149.05984	4.3
151.03995	2.2
151.07535	1.6
152.04692	2.3
153.05469	1.6
155.04860	0.6
155.06024	5.8
155.07124	0.6
157.06544	0.6
159.04427	1.6
159.08057	0.7
160.05237	1.2
161.05992	3.2
163.03926	2.0
163.07520	0.7
164.06999	0.6
165.05504	1.5
166.02612	0.4
167.07042	100.0
168.07384	3.3
171.04456	0.6
171.06555	3.5
172.05188	0.9
173.05981	21.6
174.06615	1.2
175.07526	3.5
176.04745	0.9
177.05449	5.1
179.07021	0.8
181.04961	76.1
182.05315	2.5
183.06511	0.8
185.06017	0.5
187.07530	0.5
188.04570	0.5
189.05424	0.8
189.09019	0.6
190.06233	0.4
191.07059	3.9
192.07724	0.5
192.09409	0.4
193.08574	1.8
195.06522	1.9
201.05434	2.2
202.06055	0.6
203.07013	4.3
205.08569	6.5
206.08972	0.6
207.06499	1.0
207.10094	0.9
209.08058	4.9
213.05414	1.0
217.08585	1.2
218.05574	0.6
219.06369	2.5
220.07234	0.5
221.06113	1.0
221.08043	1.9
222.06793	1.0
227.06978	0.5
227.09006	0.5
227.16109	0.4
231.06467	1.3
233.06258	0.5
233.08083	10.8
234.06805	0.5
234.08894	4.0
235.07585	0.8
235.09641	8.8
236.08144	0.5
237.09073	1.2
239.07117	0.8
247.07521	0.7
249.07512	0.8
250.06206	1.2
251.06873	0.7
255.06349	0.5
261.25214	0.5
263.06873	0.9
263.09335	0.8
264.07669	1.0
265.08578	1.9
267.06509	1.0
267.10065	0.9
278.05740	0.6
282.08856	1.3
283.09650	1.2
287.05548	1.3
293.08099	1.2
295.06046	0.6
295.09344	0.6
297.11224	2.0
299.09042	1.2
310.08276	1.8
311.09082	0.8
313.10626	0.6
323.09119	0.5
325.10507	2.2
326.11392	1.5
327.08643	0.5
329.13788	1.4
335.09326	0.5
337.10516	0.8
342.11002	0.6
353.10013	1.4
355.11734	1.2
357.09171	0.7
357.13324	10.3
365.09958	1.1
367.11807	1.1
369.13196	1.0
373.12305	0.5
385.12817	35.5
386.13403	3.6
387.14362	5.7
397.12802	5.3
398.13007	0.6
399.14240	1.8
403.13882	3.4
404.13788	0.6
415.13907	8.0
416.14487	4.2
417.15442	13.6
418.15710	1.2
577.19305	1.3
595.21082	0.7
625.21967	0.6
643.23859	44.4
644.15430	0.6
644.24298	6.1
737.70380	0.5
758.85339	0.5
805.28809	8.5
806.28467	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31989	0.6
60.72734	0.7
65.03948	1.6
67.05512	1.4
69.03431	2.7
79.05494	2.4
80.05005	0.7
81.03429	1.0
82.06635	0.8
85.02899	3.9
89.03937	0.8
91.05477	1.8
92.05032	0.7
93.07076	1.3
93.58747	0.7
94.06576	5.0
95.04945	0.9
95.07365	2.8
96.08130	8.1
97.02912	1.7
98.23351	1.9
103.05473	0.8
103.78439	0.7
105.07014	1.0
106.06575	1.6
107.07336	1.0
108.04500	3.3
108.08116	11.0
110.09679	10.6
116.04980	4.1
118.06532	1.2
120.04473	4.3
120.08110	9.5
122.06050	8.6
122.09690	1.8
124.07597	7.6
127.03924	1.2
134.06027	3.6
136.07582	11.2
138.05493	0.9
138.09131	12.2
144.04425	6.5
146.06010	9.3
148.07556	6.3
150.09177	1.8
152.07112	3.1
160.03964	3.2
160.07568	0.9
162.05495	5.2
163.06223	0.7
164.07133	1.9
166.08636	21.1
167.07155	2.5
170.09560	0.8
172.03932	27.0
172.07625	1.5
173.04361	1.0
174.05537	3.2
175.03595	0.9
176.07039	4.3
181.04982	1.2
182.08270	1.2
182.09715	1.4
183.09114	1.3
184.09933	1.4
186.05511	1.0
186.09283	0.8
187.08800	0.9
190.04984	22.4
190.06648	1.2
191.05356	0.9
196.09999	1.2
197.07056	1.3
197.10750	3.8
199.08687	1.7
199.12393	3.0
202.55920	0.7
204.06552	49.0
207.09250	1.4
209.10745	2.0
210.09222	1.9
210.11389	0.8
211.08647	4.6
211.12410	0.9
212.09508	2.6
213.10257	2.1
219.11308	0.7
223.08757	1.0
223.12282	1.6
224.09468	2.0
225.10185	10.6
226.11063	1.6
227.11792	16.2
228.12354	1.0
233.08406	0.8
235.08701	0.8
236.09573	2.5
237.10149	4.4
238.07188	0.8
238.11093	2.3
239.11749	5.7
241.09753	1.7
241.13373	1.6
245.12845	0.7
248.09383	0.9
249.10252	3.7
250.10959	0.8
251.08104	1.4
251.11761	4.3
252.09027	0.8
253.09697	8.3
253.12326	0.7
253.13434	1.2
255.11339	2.2
263.08267	1.3
263.11755	1.3
264.08813	5.0
265.09805	3.1
266.10440	1.4
267.11276	3.3
269.12845	18.8
270.10144	0.8
270.13321	1.1
271.10742	9.9
273.10037	0.8
273.12384	4.8
277.09729	2.9
278.10471	0.9
279.11288	6.7
280.11954	0.8
281.09561	1.3
281.12921	1.9
283.10724	6.7
284.11551	6.7
285.12228	7.4
286.13129	1.8
287.13849	16.3
293.09293	1.2
293.12750	0.8
294.10178	1.0
295.10712	1.7
297.12402	11.0
299.14127	5.2
302.12820	0.8
305.09225	0.8
307.10818	2.0
309.12292	1.4
311.14340	1.2
312.15125	1.4
313.12784	2.5
314.13077	3.1
315.13818	1.3
316.11005	1.1
316.14441	2.0
319.10733	0.9
321.12192	0.8
323.10248	7.9
325.11810	23.7
326.12619	2.5
326.16620	2.2
327.13525	4.6
327.17068	1.3
328.10797	3.6
328.14499	2.8
329.11572	0.9
329.15244	2.9
330.12442	1.4
330.16031	3.0
331.16818	2.6
337.11426	1.3
338.13385	0.9
339.13962	1.3
340.14484	2.0
341.11835	2.6
342.12558	8.3
342.16278	1.7
343.12988	7.9
344.13675	1.5
344.17560	1.3
352.14688	0.8
354.12372	1.4
354.16272	1.4
355.13400	2.7
355.17319	1.3
356.13898	6.7
356.17667	0.9
357.14499	15.9
358.15475	6.0
359.16190	1.2
365.11163	1.6
367.13062	2.0
368.13934	1.1
369.14914	0.8
370.11551	1.3
370.15585	5.8
371.16302	1.6
378.18265	1.7
380.14029	1.7
382.11682	5.9
383.12601	3.5
384.13168	6.2
385.14148	3.5
386.14795	2.2
386.18750	3.1
387.15179	0.9
388.16809	1.3
390.18063	3.6
394.15701	1.8
396.17474	1.1
398.14984	23.1
399.15759	31.9
400.16446	5.9
401.13647	0.8
402.18298	2.2
404.15994	6.7
412.16635	2.3
414.18185	5.1
416.16000	19.9
417.16409	4.3
422.16818	2.9
428.16061	4.0
430.17542	4.9
440.16080	8.3
441.15286	1.6
446.17075	14.8
447.17764	1.4
448.18488	1.2
458.17065	38.3
459.17422	4.0
460.18811	1.5
478.19852	2.0
487.17145	9.0
488.17609	1.4
490.19727	10.0
491.20016	1.3
519.19318	1.2
551.22662	1.0
565.24335	2.5
567.25995	1.5
569.23840	5.7
575.22894	1.4
583.25421	1.7
593.23859	7.4
594.23682	1.5
608.22229	1.1
611.24957	100.0
612.25226	15.6
626.24951	3.0
643.17639	0.9
643.27759	9.2
644.27130	1.1
729.30609	1.4
731.29498	1.2
745.30988	1.0
755.29559	1.2
773.17383	1.2
773.30304	15.8
774.30450	3.2
805.30499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31989	0.6
60.72734	0.7
65.03948	1.6
67.05512	1.4
69.03431	2.7
79.05494	2.4
80.05005	0.7
81.03429	1.0
82.06635	0.8
85.02899	3.9
89.03937	0.8
91.05477	1.8
92.05032	0.7
93.07076	1.3
93.58747	0.7
94.06576	5.0
95.04945	0.9
95.07365	2.8
96.08130	8.1
97.02912	1.7
98.23351	1.9
103.05473	0.8
103.78439	0.7
105.07014	1.0
106.06575	1.6
107.07336	1.0
108.04500	3.3
108.08116	11.0
110.09679	10.6
116.04980	4.1
118.06532	1.2
120.04473	4.3
120.08110	9.5
122.06050	8.6
122.09690	1.8
124.07597	7.6
127.03924	1.2
134.06027	3.6
136.07582	11.2
138.05493	0.9
138.09131	12.2
144.04425	6.5
146.06010	9.3
148.07556	6.3
150.09177	1.8
152.07112	3.1
160.03964	3.2
160.07568	0.9
162.05495	5.2
163.06223	0.7
164.07133	1.9
166.08636	21.1
167.07155	2.5
170.09560	0.8
172.03932	27.0
172.07625	1.5
173.04361	1.0
174.05537	3.2
175.03595	0.9
176.07039	4.3
181.04982	1.2
182.08270	1.2
182.09715	1.4
183.09114	1.3
184.09933	1.4
186.05511	1.0
186.09283	0.8
187.08800	0.9
190.04984	22.4
190.06648	1.2
191.05356	0.9
196.09999	1.2
197.07056	1.3
197.10750	3.8
199.08687	1.7
199.12393	3.0
202.55920	0.7
204.06552	49.0
207.09250	1.4
209.10745	2.0
210.09222	1.9
210.11389	0.8
211.08647	4.6
211.12410	0.9
212.09508	2.6
213.10257	2.1
219.11308	0.7
223.08757	1.0
223.12282	1.6
224.09468	2.0
225.10185	10.6
226.11063	1.6
227.11792	16.2
228.12354	1.0
233.08406	0.8
235.08701	0.8
236.09573	2.5
237.10149	4.4
238.07188	0.8
238.11093	2.3
239.11749	5.7
241.09753	1.7
241.13373	1.6
245.12845	0.7
248.09383	0.9
249.10252	3.7
250.10959	0.8
251.08104	1.4
251.11761	4.3
252.09027	0.8
253.09697	8.3
253.12326	0.7
253.13434	1.2
255.11339	2.2
263.08267	1.3
263.11755	1.3
264.08813	5.0
265.09805	3.1
266.10440	1.4
267.11276	3.3
269.12845	18.8
270.10144	0.8
270.13321	1.1
271.10742	9.9
273.10037	0.8
273.12384	4.8
277.09729	2.9
278.10471	0.9
279.11288	6.7
280.11954	0.8
281.09561	1.3
281.12921	1.9
283.10724	6.7
284.11551	6.7
285.12228	7.4
286.13129	1.8
287.13849	16.3
293.09293	1.2
293.12750	0.8
294.10178	1.0
295.10712	1.7
297.12402	11.0
299.14127	5.2
302.12820	0.8
305.09225	0.8
307.10818	2.0
309.12292	1.4
311.14340	1.2
312.15125	1.4
313.12784	2.5
314.13077	3.1
315.13818	1.3
316.11005	1.1
316.14441	2.0
319.10733	0.9
321.12192	0.8
323.10248	7.9
325.11810	23.7
326.12619	2.5
326.16620	2.2
327.13525	4.6
327.17068	1.3
328.10797	3.6
328.14499	2.8
329.11572	0.9
329.15244	2.9
330.12442	1.4
330.16031	3.0
331.16818	2.6
337.11426	1.3
338.13385	0.9
339.13962	1.3
340.14484	2.0
341.11835	2.6
342.12558	8.3
342.16278	1.7
343.12988	7.9
344.13675	1.5
344.17560	1.3
352.14688	0.8
354.12372	1.4
354.16272	1.4
355.13400	2.7
355.17319	1.3
356.13898	6.7
356.17667	0.9
357.14499	15.9
358.15475	6.0
359.16190	1.2
365.11163	1.6
367.13062	2.0
368.13934	1.1
369.14914	0.8
370.11551	1.3
370.15585	5.8
371.16302	1.6
378.18265	1.7
380.14029	1.7
382.11682	5.9
383.12601	3.5
384.13168	6.2
385.14148	3.5
386.14795	2.2
386.18750	3.1
387.15179	0.9
388.16809	1.3
390.18063	3.6
394.15701	1.8
396.17474	1.1
398.14984	23.1
399.15759	31.9
400.16446	5.9
401.13647	0.8
402.18298	2.2
404.15994	6.7
412.16635	2.3
414.18185	5.1
416.16000	19.9
417.16409	4.3
422.16818	2.9
428.16061	4.0
430.17542	4.9
440.16080	8.3
441.15286	1.6
446.17075	14.8
447.17764	1.4
448.18488	1.2
458.17065	38.3
459.17422	4.0
460.18811	1.5
478.19852	2.0
487.17145	9.0
488.17609	1.4
490.19727	10.0
491.20016	1.3
519.19318	1.2
551.22662	1.0
565.24335	2.5
567.25995	1.5
569.23840	5.7
575.22894	1.4
583.25421	1.7
593.23859	7.4
594.23682	1.5
608.22229	1.1
611.24957	100.0
612.25226	15.6
626.24951	3.0
643.17639	0.9
643.27759	9.2
644.27130	1.1
729.30609	1.4
731.29498	1.2
745.30988	1.0
755.29559	1.2
773.17383	1.2
773.30304	15.8
774.30450	3.2
805.30499	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	1.2
66.72967	1.2
69.03445	1.9
69.12663	1.1
69.62498	2.3
69.62897	3.3
71.43035	1.4
78.17011	1.2
79.05499	3.2
81.03400	1.7
82.06578	1.6
82.90048	1.2
84.08160	1.4
85.02908	3.5
91.05495	2.1
92.05013	1.3
93.07036	1.6
94.06579	5.0
94.75353	1.1
95.04958	1.6
95.22010	1.2
96.08129	5.9
97.02882	2.1
98.23363	1.4
98.36090	1.1
103.05490	1.9
106.06562	2.0
108.04487	2.7
108.08131	8.0
109.02872	1.3
110.09685	7.5
115.05480	1.6
116.05005	2.4
117.07045	1.6
120.04501	3.4
120.08102	6.4
122.06063	6.4
124.07601	5.1
131.04932	1.6
134.06029	2.7
136.07593	9.6
137.05983	4.0
138.09129	9.8
144.04456	4.2
146.06052	6.2
147.04456	1.7
148.07568	3.1
152.07065	1.3
160.03992	4.1
161.06038	1.7
162.05540	4.0
163.07541	1.6
164.07199	1.6
166.08650	13.9
167.07083	9.3
172.03925	26.0
172.05347	1.7
172.07669	2.2
173.05974	1.3
174.05455	2.3
176.07092	2.8
181.04938	5.8
184.09952	1.3
190.05002	17.1
191.07042	1.8
197.10635	1.6
199.12386	2.2
204.06570	43.3
205.08664	1.9
209.10800	1.8
210.09117	2.1
211.08708	3.5
212.09303	2.4
223.12192	1.3
225.10284	9.2
227.11769	11.2
236.09607	2.6
237.10237	3.3
238.10931	2.1
239.11813	3.4
240.12148	1.5
241.13452	1.3
249.10269	1.7
251.08337	1.6
251.11771	2.5
253.09671	6.1
255.11400	2.7
263.08228	1.2
264.08951	2.8
265.09613	2.5
266.10342	1.1
267.11273	2.7
268.07684	1.0
269.12857	15.0
271.10736	9.2
273.12350	5.3
277.09787	1.7
279.11316	4.4
281.09470	1.5
281.12756	2.0
283.10736	5.6
284.11597	5.3
285.12323	5.4
287.13937	13.9
291.04831	1.2
295.10745	1.7
297.12341	8.9
299.13898	5.3
307.10678	2.1
309.11981	1.4
312.14856	2.1
314.13083	2.6
315.34412	1.3
323.10226	7.1
325.11813	16.7
326.12436	1.5
327.13522	2.3
327.17090	1.5
328.10712	2.5
328.14441	2.5
329.15155	2.1
330.15927	1.9
331.16782	1.5
337.11609	1.5
339.13361	1.3
342.12256	6.0
343.13123	8.0
344.17505	1.3
355.13263	1.5
356.13800	4.6
357.14465	22.3
358.15295	4.8
367.13321	1.1
370.15616	6.6
371.16293	1.6
382.11966	4.8
383.12537	3.1
384.13293	3.7
384.17517	1.7
385.14328	1.7
386.14563	2.1
386.19006	2.1
390.18295	2.9
398.14960	18.0
399.15820	29.4
400.16168	3.4
404.15829	5.8
412.16510	2.8
414.18094	4.2
416.15961	16.5
417.15915	4.3
422.16025	1.4
428.16159	3.3
430.17676	2.4
440.16150	7.7
441.16110	1.8
446.17163	11.3
447.17389	1.4
458.17130	31.0
459.17419	3.1
478.19684	2.2
487.17014	8.2
490.19620	7.9
523.23065	2.3
551.22260	1.2
567.25940	1.6
569.23743	4.9
583.25226	2.0
593.23987	6.3
611.24976	100.0
612.25385	12.7
643.27295	10.3
644.27942	2.3
700.23938	1.3
731.28973	1.4
773.17303	1.8
773.30078	21.7
774.30371	4.4
813.14197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.4
61.02931	5.3
67.05512	27.2
69.07067	13.0
70.46529	7.8
70.46845	6.4
73.19505	4.2
79.05508	22.3
81.07061	34.0
83.08619	8.1
91.05515	13.1
93.07055	20.7
95.08623	33.4
105.07056	11.3
107.08602	14.8
109.10179	10.6
119.08585	8.1
121.10176	15.4
131.08527	6.6
135.11711	15.7
145.10175	7.2
147.11691	7.1
161.13297	7.8
163.14932	4.8
168.19533	4.6
259.20630	5.5
261.22116	14.9
335.25818	100.0
337.27399	6.2
595.46747	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	807.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
58.31089	0.9
61.02920	1.8
65.03947	1.6
66.73186	1.0
67.05505	3.0
69.03431	6.0
70.46264	1.4
70.46616	1.4
71.04994	1.8
73.02907	1.4
75.73101	1.0
79.05490	4.7
80.05019	1.3
80.80300	1.3
81.03457	2.2
81.07056	2.6
82.06570	1.7
83.04984	16.8
85.02910	9.2
91.05471	4.7
93.05801	1.5
93.07048	4.9
94.06581	6.9
95.04954	3.0
95.07345	3.8
95.08596	2.8
96.08143	8.4
97.02885	3.6
99.04417	1.6
100.60024	1.0
103.05471	1.8
105.07018	3.7
106.06550	4.1
107.07294	1.8
107.08584	3.5
108.08127	17.5
109.10176	1.9
110.09687	12.7
111.04450	19.4
116.04978	2.2
118.06549	1.4
119.08581	3.9
120.04438	1.7
120.08103	11.1
122.06042	10.5
122.09662	5.9
124.07587	7.8
127.03928	2.6
129.05511	2.0
131.08580	2.4
132.08069	2.3
133.10115	2.2
134.06010	3.2
135.11699	1.2
136.07590	29.7
137.05948	1.7
137.09538	1.1
138.05469	1.6
138.09134	19.9
144.04459	4.2
144.08029	1.4
145.10136	4.8
146.06001	8.7
147.11700	2.4
148.07578	16.6
150.09161	12.4
152.07065	27.3
157.10107	1.6
159.11732	2.1
160.03925	2.1
160.07616	1.9
161.06091	1.4
161.13150	1.4
162.05487	3.7
162.09085	1.2
164.07062	8.0
165.07932	1.2
166.08646	45.2
167.07053	4.8
167.09053	1.1
171.06480	3.2
171.11684	1.6
172.03958	26.7
173.04422	1.5
173.13223	1.8
173.99617	1.1
174.05537	1.2
174.09053	2.3
175.14702	1.3
176.07042	3.1
180.10159	2.2
181.04962	3.2
182.08156	1.4
187.14835	7.1
189.07591	2.9
189.16351	1.3
190.04984	17.6
191.07033	1.9
194.08058	2.2
197.10716	2.9
198.11520	3.0
199.12349	1.6
199.14783	1.3
201.16431	2.5
203.14294	3.7
204.06563	30.9
206.08121	1.4
210.11430	6.7
211.12231	8.3
212.13048	3.1
218.08144	1.9
221.10768	1.5
223.08658	2.1
223.12387	5.6
223.14420	1.2
224.09348	1.6
224.13185	1.6
225.10191	10.3
225.13730	2.1
226.10974	8.6
227.11832	6.4
229.09816	1.7
229.13359	1.8
235.08698	2.5
235.12303	2.6
236.09451	3.4
236.13152	1.3
237.10229	10.0
237.13869	2.1
238.10954	9.0
239.11800	11.7
240.12436	1.8
241.09779	1.3
241.13306	2.5
246.07663	2.9
248.09430	1.9
249.10159	6.5
250.10944	6.8
251.11792	18.9
252.08969	2.4
252.12540	4.0
253.09770	2.9
253.13409	5.9
254.10457	1.3
255.11328	4.8
256.12106	3.1
262.10977	3.1
263.07813	1.6
263.11841	16.2
264.08862	5.1
264.12524	5.8
265.09891	8.7
265.13281	8.1
266.10638	5.8
266.13522	1.2
267.11270	22.5
268.11963	2.6
269.12704	6.8
270.13458	2.0
271.11118	2.2
271.14365	7.0
273.12320	3.7
276.09042	1.1
277.09674	3.3
277.13364	1.7
278.10446	4.3
279.11288	31.7
280.11954	8.5
281.12894	12.3
282.10016	2.3
282.13345	1.9
283.10782	6.4
283.14166	1.6
284.11569	14.0
285.12335	39.2
286.12827	2.5
287.13907	2.4
289.15656	2.0
291.11258	13.5
292.11942	4.9
293.09320	3.0
293.12827	12.8
294.13275	1.6
295.10770	4.9
295.14127	1.6
296.11633	6.1
297.12344	51.8
298.12817	6.3
299.14066	7.9
300.14749	1.2
307.10522	2.4
309.12329	18.6
310.12949	4.4
311.10211	6.6
311.13928	6.3
312.11163	1.8
313.11658	2.6
316.14386	1.2
319.10791	8.6
321.12393	14.0
322.12851	2.1
323.10272	13.8
323.13782	2.4
324.10880	1.7
325.11856	22.3
326.12375	1.6
327.13385	10.3
328.13980	2.5
329.15021	1.5
330.15939	1.4
337.11823	47.5
338.12228	5.7
339.13474	7.3
340.14185	1.8
341.11102	2.0
341.14993	1.8
343.12848	2.9
346.19138	1.7
351.13385	1.3
355.12878	3.1
356.13754	1.7
357.14453	11.5
358.15341	2.2
359.15982	3.3
360.17044	1.4
367.13202	1.6
369.14359	5.3
370.15341	1.3
371.16006	3.2
373.13989	3.1
374.18777	1.3
376.20251	1.3
385.13861	1.9
386.18802	1.8
390.18008	2.6
399.15503	1.8
400.16306	2.4
401.17245	2.1
402.17914	2.3
404.19528	4.3
412.16272	3.1
414.18036	2.0
418.17560	3.2
420.19077	2.2
422.20593	3.9
428.19702	1.3
430.17636	8.5
431.18164	2.7
432.19113	5.7
435.28467	1.4
436.18228	2.6
442.17719	1.5
444.19199	1.9
446.21133	5.8
448.18665	29.7
449.19415	18.1
450.20316	14.6
451.20319	1.9
458.16962	2.1
460.18741	16.9
461.18716	4.4
462.20114	5.2
463.20392	1.2
469.28897	2.2
472.18533	3.1
474.20453	5.5
476.18234	7.2
477.18896	11.9
478.19452	7.7
480.21167	3.4
487.16968	5.0
489.18710	2.0
490.19705	36.4
491.20340	6.8
492.21393	8.8
493.21646	2.2
499.30157	1.7
517.31891	5.3
522.22443	17.5
523.22632	4.6
567.25818	1.5
584.25360	1.5
595.25500	13.5
611.24536	5.2
612.25348	5.0
613.26563	100.0
614.26904	16.0
636.25366	2.8
645.29279	11.0
646.28839	2.0
652.25177	18.0
653.25708	13.9
654.26660	5.3
684.27429	10.6
685.27911	7.1
757.31427	2.0
775.31909	22.3
776.32404	5.1
785.61176	1.2
807.32172	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	807.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.3
67.05507	2.4
69.03428	6.1
69.07034	1.5
70.35949	3.2
71.04987	1.3
73.02940	1.2
75.97061	0.9
79.05497	3.2
81.03423	2.8
81.07070	1.6
83.04980	11.3
85.02901	6.8
91.05490	3.8
93.07034	5.7
94.06580	7.2
95.04982	2.6
95.07368	2.4
95.08630	4.0
96.08141	8.8
97.02924	2.8
97.06535	1.5
99.30390	1.1
101.08991	1.0
105.07047	3.7
106.06563	4.1
107.03397	1.1
107.07351	2.3
107.08590	2.2
108.08111	17.8
109.02892	1.8
109.10164	1.6
110.09695	11.9
111.04433	17.4
116.05015	2.3
117.06993	1.4
118.06573	1.9
119.08594	3.1
120.04416	1.3
120.08109	9.9
121.06522	1.6
121.08904	1.3
121.10162	1.6
122.06039	12.2
122.09684	4.7
124.07596	6.8
124.83655	1.0
127.03902	3.0
129.05458	1.3
131.08588	2.6
132.04459	1.5
133.10143	1.7
134.06038	3.4
136.07574	28.4
137.06006	2.6
138.05515	1.8
138.09142	20.9
144.04485	3.6
145.10120	2.9
146.06015	8.5
147.11795	1.1
148.07565	16.0
150.09140	13.3
152.07062	25.8
158.05972	1.1
160.07585	2.1
161.05998	1.4
161.09692	1.5
162.05481	3.6
164.07088	6.9
166.08632	46.3
167.07040	4.6
167.09036	1.4
171.06476	2.3
172.03940	21.7
172.07562	1.2
173.13283	2.0
174.05527	2.5
174.09114	2.1
176.07095	3.0
181.04936	1.9
182.08232	2.1
187.14853	5.0
190.04967	16.3
191.07034	1.8
192.06635	1.2
195.09044	1.2
197.10767	2.0
198.11566	4.7
199.14911	1.1
201.16452	2.0
203.14314	3.4
204.06552	31.8
205.06886	1.2
207.09099	1.3
209.10805	2.7
210.11549	5.5
211.08719	1.4
211.12320	5.7
212.13138	1.5
213.10278	1.8
218.08070	2.1
221.10880	1.2
223.12224	5.5
224.09492	1.5
224.13089	1.6
225.10190	9.4
225.13840	1.6
226.11018	6.9
227.11810	4.7
235.08681	2.3
235.12276	2.2
236.09373	2.4
237.10243	10.2
238.11005	9.4
239.11821	14.3
240.12465	2.1
241.13408	3.1
243.11220	1.5
246.07523	2.1
249.10208	7.2
250.11015	5.3
251.08186	1.9
251.11787	19.2
252.08958	2.2
252.12471	5.9
253.09795	2.8
253.13327	6.3
254.10553	1.3
255.11241	4.2
256.11978	3.0
257.12936	1.8
259.14450	2.1
262.11057	3.2
263.11765	17.1
264.08957	3.5
264.12491	4.3
265.09875	7.8
265.13330	10.6
266.10461	5.1
266.13733	1.1
267.11276	22.9
268.11816	3.6
269.12802	7.2
271.10974	2.1
271.14453	5.6
273.12366	3.1
277.09671	2.9
278.10544	5.5
279.11282	33.0
280.11960	8.0
281.12720	12.0
282.10095	1.4
282.13443	2.4
283.10849	6.3
283.14554	2.3
284.11508	14.5
285.12335	41.2
286.12643	2.3
287.13922	3.9
289.15518	2.3
291.11307	14.7
292.11996	3.5
293.09427	2.0
293.12769	12.8
294.13235	1.7
295.10785	3.5
295.14139	1.6
296.11560	7.6
296.14633	1.2
297.12341	52.7
298.12946	5.8
299.13766	8.9
307.10782	4.5
309.12280	16.9
310.13004	4.6
311.10266	6.7
311.13931	6.0
312.10858	1.6
312.14758	1.2
313.11768	3.7
316.14542	1.8
319.10873	8.6
321.12311	13.9
323.10300	13.7
324.10822	1.8
325.11826	21.9
326.12234	2.7
327.13367	12.2
328.14069	1.4
329.14984	1.5
330.16016	1.8
337.11789	48.3
338.12323	5.1
339.13400	6.9
340.14044	1.7
341.11389	1.8
343.12723	2.3
355.12793	4.1
357.14441	9.8
358.15314	1.9
359.16205	1.9
369.14404	5.2
370.15228	1.5
371.16168	2.4
372.17203	1.5
373.14169	3.6
384.17072	2.0
385.13623	2.3
390.18109	3.9
392.19434	1.6
400.16357	1.8
401.17059	1.9
402.18069	2.4
404.19705	4.0
412.16330	1.7
414.17871	1.5
416.20306	1.7
418.17215	2.5
420.19025	2.1
421.20068	2.1
422.20731	3.6
428.19467	1.8
430.17560	10.0
431.18161	2.2
432.19287	6.8
436.18951	1.4
442.17502	3.2
446.20636	4.3
448.18658	28.1
449.19351	15.8
450.20132	17.7
451.21054	1.5
455.31473	1.8
460.18677	17.3
461.18954	3.1
462.20313	4.8
469.29965	1.6
472.18610	2.1
474.20154	4.6
476.18048	9.7
477.19025	9.5
478.19812	7.3
480.21298	2.9
487.17438	6.6
490.19714	34.3
491.19879	7.2
492.21323	10.0
499.30496	1.7
506.22101	1.2
517.31555	3.6
522.22369	12.8
523.22925	2.8
567.25653	1.9
594.24072	1.5
595.25482	11.2
611.24243	4.4
612.25513	8.1
613.26556	100.0
614.26941	14.8
634.23682	1.8
636.25372	2.0
645.29187	10.0
652.25049	18.6
653.25635	12.6
654.26593	7.3
655.28113	1.2
684.27466	10.1
685.28534	5.6
757.30066	1.5
775.31830	23.8
776.31342	5.5
807.33704	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	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65753	0.4
63.70508	0.4
67.05506	3.5
69.03395	0.8
69.55736	0.9
69.56136	2.1
79.05470	1.7
80.04991	1.0
81.07038	0.4
82.06566	0.6
85.02853	1.6
91.05436	1.7
93.05740	0.6
93.07032	4.1
94.06036	0.7
94.06572	7.4
95.04969	1.1
95.07367	3.6
95.08565	1.0
96.08132	7.2
97.02843	0.7
97.06499	0.7
98.18559	0.4
106.06507	0.6
107.07309	0.5
108.04488	2.4
108.08117	6.4
109.08923	0.6
110.05953	0.8
110.09685	13.3
110.10436	0.5
117.50625	0.5
118.06458	0.5
120.07323	0.6
120.08099	8.3
121.06485	0.7
122.06031	8.9
122.09630	1.3
124.07581	0.7
125.71533	0.4
127.03860	0.7
132.04417	1.3
134.05957	1.8
136.07579	7.6
137.08252	0.6
138.09137	19.1
139.09401	0.5
146.05988	0.9
148.07590	3.3
150.09161	4.3
152.05894	0.4
152.07039	2.4
160.03941	8.2
160.07553	1.0
162.05511	0.7
164.07085	4.9
166.08641	29.1
167.06987	0.6
167.08971	0.9
168.10129	0.7
172.03941	0.8
174.09222	0.5
174.74965	0.4
178.04984	1.8
182.09630	0.5
190.04936	0.7
197.10713	0.9
199.08592	2.1
204.06607	1.4
210.11494	0.5
211.08650	3.1
211.12273	1.7
212.09354	1.4
212.12901	0.9
213.06412	0.7
213.10275	2.2
218.08099	0.6
220.09871	0.6
221.10820	0.6
222.09334	0.5
222.11461	1.5
223.08702	3.7
223.12260	1.5
224.09447	1.4
224.12978	1.2
225.10226	11.4
225.13832	1.1
226.10942	7.0
227.08241	0.5
227.11765	3.6
229.13388	0.8
234.11420	0.7
235.08559	2.2
235.12291	1.6
236.09399	1.4
236.12935	0.9
237.10211	6.9
237.13762	2.5
238.10991	5.1
239.08157	6.7
239.11760	14.9
240.12512	4.8
241.09723	1.0
241.13284	1.6
243.14851	0.8
247.12259	0.9
248.09525	1.9
248.13028	0.6
249.10199	7.0
249.13034	0.5
249.13904	0.5
250.10977	7.6
251.08154	3.9
251.11772	18.1
252.09035	1.4
252.12517	5.2
253.09723	5.1
253.13338	12.3
254.10524	12.2
254.13576	1.0
255.11090	1.9
255.14925	1.1
257.09241	0.6
261.10239	0.7
262.11084	0.7
263.08737	0.7
263.11780	14.1
263.18341	0.5
264.09036	1.4
264.12521	7.1
265.09744	6.4
265.13345	21.2
266.10684	3.3
266.13794	3.6
267.11288	7.5
267.14877	2.2
268.11957	1.1
269.12723	1.4
271.10876	2.4
275.11731	0.7
277.09668	2.8
277.12729	0.4
278.10352	2.4
279.11295	7.6
280.11853	1.6
281.09894	0.5
281.12830	13.3
282.10559	0.6
282.13599	3.5
283.10757	4.4
283.14389	4.5
284.11658	2.2
284.14542	0.5
285.12323	11.6
286.13226	2.2
287.05649	0.7
287.13632	0.9
291.11368	3.1
291.14462	0.6
292.12067	1.2
293.09467	0.9
293.12793	6.8
294.10574	0.6
294.13596	2.2
295.10748	3.4
295.14349	1.1
296.11526	4.7
297.12335	6.3
298.13098	1.9
299.13916	12.3
300.14304	1.1
307.10776	1.0
308.11493	1.1
309.12326	56.1
310.12827	6.6
311.13882	24.8
312.14365	2.6
313.12070	0.8
313.15427	0.7
314.12601	0.7
319.10684	2.0
320.11469	1.4
321.12283	4.5
324.11038	1.6
325.11868	3.2
326.12695	1.4
327.13385	84.3
328.13782	7.3
337.11795	10.6
338.12543	6.0
339.13382	11.9
340.13712	1.1
341.14908	4.7
344.13699	0.7
351.13220	0.5
353.15076	1.0
355.12720	0.5
356.13672	0.9
357.14539	4.0
358.15411	2.4
359.15976	10.7
360.16364	1.0
369.14450	35.3
370.15015	5.9
371.16003	34.3
372.16498	3.6
386.18848	1.0
404.19626	3.2
405.19653	0.5
414.18161	1.3
416.19632	4.9
418.17242	0.6
420.19092	0.6
430.17621	3.2
432.19199	10.1
433.19543	1.4
442.17584	1.9
446.20578	0.7
448.12262	0.5
448.13995	0.4
448.18591	20.4
449.18900	2.3
460.18661	35.2
461.19028	4.7
462.20309	0.5
474.20480	2.7
478.19919	0.5
480.21295	49.9
481.21677	5.3
491.20419	0.7
492.21292	100.0
493.21646	14.5
506.22696	1.3
522.22327	1.1
523.22925	1.2
524.23792	2.6
569.27490	0.6
582.77808	0.5
595.25427	2.9
596.25128	0.6
613.26593	21.4
614.27002	3.3
627.28210	3.3
645.29004	4.9
646.29047	1.3
654.26581	0.7
757.29974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67351	23.4
66.97328	24.9
67.05515	76.8
69.07089	28.3
79.05497	67.3
81.07059	98.6
89.49531	21.3
91.05473	59.5
93.07060	100.0
95.08623	72.6
98.69631	23.7
105.07044	40.4
107.08638	55.7
119.08622	54.9
133.10146	54.8
135.11716	32.0
145.10095	43.2
147.11705	50.6
199.14864	26.5
256.47729	23.3
259.20584	66.6
333.24258	36.3
335.25705	56.9
350.34726	22.6
581.46954	26.5
591.65173	28.7
611.46576	28.2
616.26227	29.1
649.60400	31.8
653.20398	24.5
659.05267	23.9
710.71667	28.6
809.50916	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.1
57.07066	2.9
59.04950	1.4
60.70047	1.7
61.02922	3.4
65.03936	5.3
67.05505	100.0
69.03440	2.7
69.07068	27.5
69.25467	9.9
71.04990	4.0
73.02898	1.3
79.05493	57.1
81.03402	2.8
81.07059	79.8
82.07401	1.8
83.04978	5.7
83.08620	12.1
85.02910	4.3
85.06536	3.2
91.05484	41.6
93.07046	67.0
94.07371	2.5
95.04990	6.0
95.08607	52.5
97.02905	4.9
97.06516	5.8
97.10170	7.6
99.08115	1.9
105.04522	2.1
105.07027	34.1
107.08598	39.3
108.08945	2.1
109.06531	2.8
109.09444	2.6
109.10156	33.1
111.08092	4.0
111.11787	1.6
114.51572	1.6
117.07005	11.2
119.08592	30.2
121.10145	27.6
123.08082	2.7
123.11698	7.1
125.09656	4.7
127.03888	1.6
128.06232	2.4
129.05528	1.9
129.07014	6.4
131.08582	16.7
133.10135	23.3
135.11685	21.4
137.09608	2.5
137.13264	2.3
143.08528	5.5
145.10150	11.3
147.11687	21.2
149.09665	1.9
149.13249	12.4
151.11154	1.6
157.10100	5.1
159.11674	11.3
161.13289	10.6
163.11191	2.3
163.14838	3.9
165.12848	1.7
167.60078	1.7
169.10106	1.9
171.11661	5.0
173.11824	3.2
173.13277	9.9
175.14813	3.7
177.12724	1.7
185.13300	3.9
187.14880	4.1
189.11220	3.0
199.14848	3.2
213.16547	1.6
221.15317	1.7
227.12807	3.0
229.14409	4.3
241.19429	7.0
243.21143	4.0
259.20602	18.8
261.22131	10.5
275.20001	1.7
277.21631	17.8
317.24594	2.4
333.24228	13.4
335.25809	87.0
336.26028	5.9
337.27402	1.7
351.25275	35.1
352.25363	1.7
489.35696	2.4
529.38507	1.8
611.46637	29.7
612.46552	5.2
758.06329	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.6
59.05001	1.2
61.02935	1.9
65.03966	1.0
67.05509	7.1
69.03082	1.8
69.03434	23.3
69.07047	2.2
69.28223	0.9
70.18275	2.2
71.01363	2.5
71.05000	61.9
73.02916	10.9
75.04474	3.5
76.18684	0.9
79.05490	3.0
81.03422	1.6
81.07053	4.1
83.04981	11.8
85.02909	100.0
86.03258	1.2
87.04482	2.0
91.05466	3.2
93.07042	4.0
95.04969	3.5
95.08614	47.0
96.08950	1.4
97.02900	21.6
99.04448	7.3
105.07017	5.2
107.04918	1.3
107.08614	5.1
109.02860	1.9
109.06529	3.1
109.10169	4.1
111.04453	12.0
113.02335	1.4
113.06008	1.6
115.03932	18.3
117.05493	3.3
117.06965	1.1
119.08560	7.9
121.06544	4.1
121.10146	4.2
123.04424	1.2
123.08046	1.9
123.11691	1.7
127.03915	1.9
129.05496	24.0
129.07008	1.1
131.08559	3.6
133.04977	2.2
133.06500	1.2
133.10123	3.7
135.08073	3.2
135.11673	2.1
137.06018	1.5
137.09602	4.3
139.03911	3.3
139.07509	0.9
143.08597	2.5
145.04964	5.3
145.10124	3.6
147.06526	13.3
147.08046	8.9
147.11697	3.0
149.09676	1.4
149.13322	2.4
150.07672	1.2
153.05437	1.0
157.04964	0.9
157.10132	3.2
159.08133	1.7
159.11723	4.5
161.09645	4.3
161.13260	4.5
163.05983	1.7
163.11205	1.1
163.14845	1.4
164.09242	2.0
169.04948	1.0
171.06508	2.2
171.11684	3.0
173.09633	2.4
173.13289	4.0
175.11157	1.9
175.14827	1.8
185.13283	2.1
187.11174	1.3
187.14842	3.4
189.12743	6.4
189.16434	1.5
190.13484	0.9
191.14314	3.5
195.35873	0.8
197.13379	1.1
199.11143	1.4
199.14856	2.2
201.12735	2.1
203.14333	44.3
204.14606	2.7
205.15889	2.4
211.14847	1.7
213.12775	1.1
215.14340	3.8
217.15869	8.8
225.07599	5.9
229.15852	3.0
237.14876	2.6
241.15836	1.2
243.08627	4.1
243.17378	1.7
261.09760	3.0
267.17395	1.7
279.10614	2.2
296.13513	1.1
339.27060	1.1
341.21194	1.3
357.24255	1.0
405.27737	3.0
407.29581	5.0
419.29459	2.5
423.28900	4.5
425.30582	10.0
435.28790	10.0
437.30490	8.2
438.30865	1.7
451.28372	3.4
453.29858	5.6
454.30679	1.0
455.31497	15.2
456.32053	1.6
469.29504	24.5
470.29797	1.8
471.31021	1.7
473.32379	3.3
481.29361	14.2
482.29385	1.6
499.30539	16.8
500.31296	1.4
517.31555	24.4
518.31665	3.1
565.34729	1.9
812.45856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	5.5
70.99763	4.1
71.04989	4.0
71.30766	8.3
79.05488	5.7
80.15160	4.0
83.04954	9.4
83.08608	11.7
85.02901	14.9
91.05448	5.5
95.04979	8.4
97.02852	5.6
105.07024	8.1
107.08560	5.1
109.06520	7.0
109.10182	5.1
121.10159	5.8
123.04427	13.9
125.09688	4.8
129.10289	3.9
133.10165	7.3
135.04330	4.4
142.14624	4.9
149.13187	4.3
151.11180	19.3
155.06972	6.6
163.03880	9.3
167.07086	7.0
167.14337	20.6
177.05441	4.6
183.06482	11.9
191.14375	7.4
209.15366	100.0
210.08270	3.9
222.82753	4.2
335.77438	4.5
352.99258	4.2
354.05063	3.9
381.86304	4.5
407.58313	4.0
470.59985	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4907
Annotation	Glabrin C
Peak:m/z	Relative Intensity
57.07091	1.5
67.05513	2.1
69.00882	1.5
69.07062	1.9
70.98225	1.9
73.70194	1.5
81.07064	4.3
82.39730	1.6
95.08624	2.9
100.63181	1.4
112.66793	1.6
167.57634	1.4
181.51611	1.3
204.23824	1.7
210.17821	1.4
369.64038	1.4
370.54926	1.8
379.43820	1.6
478.63242	1.6
597.21326	1.7
613.53381	1.7
628.73914	1.8
795.51965	1.8
813.49036	100.0
814.49451	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	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
61.02936	5.3
67.05509	5.9
69.03440	2.6
69.07063	1.4
71.01371	0.8
73.02915	4.2
79.05494	4.1
81.03429	1.8
81.07056	4.9
83.08639	0.6
85.02905	4.4
91.03967	2.6
91.05492	2.6
93.07043	5.7
95.08613	3.2
97.02887	4.7
99.04454	1.2
101.02400	1.9
105.07048	2.7
107.08577	2.6
109.02913	0.6
109.10165	0.9
115.71968	0.5
117.07033	1.3
119.08600	2.2
121.10149	2.1
127.03936	1.1
131.08597	1.6
132.38876	0.5
133.10172	1.3
135.11714	1.4
145.10161	1.0
147.11732	1.0
215.30373	0.5
243.08594	1.3
284.29614	1.9
310.90079	0.5
334.09235	0.7
411.32190	0.6
519.29303	7.1
520.29950	0.9
535.28802	8.0
536.29193	0.6
574.85590	0.6
646.62140	0.6
813.51178	100.0
814.51526	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	813.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96051	1.3
57.03437	3.6
61.02931	5.9
67.05514	8.1
69.03441	3.0
69.07073	1.8
73.02930	3.8
79.05499	4.2
81.07073	7.5
85.02923	4.8
91.03975	3.5
91.05516	2.8
93.07061	6.3
95.08633	5.3
97.02885	3.9
98.23347	5.8
101.02386	2.6
107.08604	3.3
109.10162	3.7
121.10158	1.5
127.03921	1.8
131.08612	2.3
133.10184	1.7
163.87880	1.6
184.07359	3.3
221.57794	1.7
228.22064	1.6
228.49158	1.4
267.18921	1.4
318.98700	1.6
350.08615	1.5
373.84518	1.8
420.31516	1.9
471.55988	1.6
519.29486	5.7
535.28943	4.7
680.18488	1.8
813.51178	100.0
814.51282	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	814.6396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	5.2
57.17099	0.7
57.96439	0.8
60.04526	53.4
63.37404	0.7
65.03946	1.1
67.05508	17.2
69.07072	9.8
70.06586	3.0
71.08637	3.3
72.04513	3.1
74.06088	2.2
79.05495	9.1
80.04991	0.9
81.03431	2.5
81.07059	17.0
82.06581	2.4
83.04982	1.1
83.08617	7.5
85.10201	1.5
86.06077	2.2
90.05572	3.1
91.05475	8.7
93.07044	9.3
94.06591	3.9
94.07166	0.6
95.05008	1.8
95.07365	0.9
95.08610	17.6
96.08123	1.4
97.06571	1.1
97.10173	4.3
98.06065	2.0
102.05509	0.8
105.07030	6.6
107.08604	3.5
109.10154	7.4
111.11726	1.9
112.07630	1.0
117.06999	0.7
119.08599	6.0
121.10168	4.0
122.09673	1.0
123.08061	1.3
123.11693	3.5
124.11189	0.8
126.09154	0.8
131.17941	0.7
133.10114	4.7
135.11728	2.5
137.09697	1.3
137.13298	1.5
149.13281	1.3
161.13300	1.2
205.19490	0.7
244.50833	0.7
245.22673	4.3
250.25314	2.4
262.25293	24.8
263.23553	4.2
280.26337	26.2
281.26752	2.0
298.27429	9.3
299.27682	0.9
302.18881	0.7
302.72858	0.7
307.38550	0.8
316.28510	1.7
350.34174	1.5
354.33679	1.7
366.33572	0.8
380.35165	0.8
396.34738	5.2
594.90179	0.8
598.55322	3.7
599.55621	0.8
616.56531	19.4
617.57031	2.4
634.57648	100.0
635.57910	12.4
652.58752	17.9
653.58850	2.9
814.49585	5.6
815.49945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05802	0.4
65.03960	0.2
67.05485	0.2
68.05027	0.8
69.03426	0.6
69.07063	0.7
70.02962	0.2
70.06591	100.0
71.06912	1.0
72.08154	13.9
79.05508	0.4
82.06590	0.5
83.04984	0.9
84.08157	0.6
85.02908	0.4
86.09704	25.2
87.10043	0.4
91.05470	5.6
91.05994	0.4
93.07061	0.2
95.04958	0.4
95.08624	0.3
97.06602	0.2
97.07651	1.9
98.06052	4.7
103.05447	1.2
105.03412	0.7
105.07023	1.0
106.06551	1.2
107.04945	0.4
109.07633	0.4
109.10110	0.2
112.07619	0.4
115.08690	2.5
117.05752	0.3
118.06540	9.8
119.04945	1.5
119.07332	0.8
119.08567	0.3
120.08105	4.4
121.06515	0.4
123.04424	0.3
124.08713	0.2
125.07120	2.8
125.78674	0.2
126.05515	1.8
129.10266	0.2
130.06563	0.8
131.04915	0.5
132.04463	0.5
132.08089	0.4
133.06517	0.4
134.06018	2.7
136.07585	4.1
136.08533	0.4
137.06017	0.7
137.07071	4.1
139.12328	0.4
140.14307	0.2
141.10278	0.6
141.13940	0.4
143.08533	0.3
144.08118	0.3
145.10143	0.3
146.06006	20.4
147.04428	0.3
147.06389	0.6
148.07588	0.5
151.03946	1.2
151.12312	0.3
152.08229	0.8
153.08960	2.6
153.10123	0.3
160.11229	0.7
161.06046	0.5
162.05460	1.1
164.07037	0.2
165.05396	0.3
167.07045	0.5
167.08417	0.4
167.11749	0.4
169.13354	10.0
170.09680	0.7
172.11215	4.9
173.13263	0.3
174.05518	1.5
174.12775	1.3
175.06049	0.2
176.10690	0.3
179.08575	0.4
179.11867	0.3
180.11336	0.7
180.12662	0.9
181.10023	0.4
182.09741	0.2
186.12833	0.5
187.10951	0.2
187.12311	4.5
188.03508	0.3
188.14413	0.7
189.06754	0.3
194.12955	0.4
195.13817	0.3
196.14461	0.4
197.12851	8.4
197.14655	0.4
198.09216	0.5
199.12315	1.7
200.10725	0.2
201.12683	0.3
203.08461	0.4
203.15590	0.5
204.13857	0.6
215.11792	1.6
216.12636	0.7
217.13371	4.6
224.10725	0.9
225.10291	1.0
230.11783	1.2
231.14906	4.4
234.09233	0.5
236.10690	2.3
243.11273	3.0
245.13103	0.4
247.07629	0.3
247.14326	1.1
249.16068	1.8
252.13109	0.2
253.13403	0.4
254.13086	0.4
259.14413	11.1
260.14819	0.6
273.12448	0.4
275.13882	2.1
281.12814	0.5
286.10818	0.7
287.05582	0.2
287.13974	0.5
293.14899	1.9
296.17780	0.5
298.19138	4.2
299.19482	0.4
300.13416	0.3
301.12015	0.6
316.20282	0.5
319.12988	0.6
324.17044	0.3
337.19150	1.2
342.18112	15.5
343.18527	1.7
349.19073	1.2
356.19800	0.6
394.21234	0.4
410.20755	0.3
422.20840	1.1
425.30734	0.7
438.20239	0.9
455.26312	0.4
455.31863	0.7
463.26990	2.0
466.19934	0.7
473.33112	0.3
491.26523	5.0
491.33685	0.3
492.27081	0.3
535.26117	0.3
557.03033	0.3
562.34143	0.4
590.11475	0.3
590.33337	8.9
591.33765	0.9
619.28027	0.2
634.32245	3.4
635.32690	0.6
698.32153	0.3
716.32800	3.5
717.33777	0.5
732.71613	0.2
815.26361	0.4
815.39771	5.0
816.39886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
61.02938	2.1
65.03943	2.3
67.05505	12.4
69.03435	11.3
69.07063	6.2
70.06594	25.9
71.01373	1.2
71.04972	2.3
71.06902	1.9
71.31628	2.2
72.08158	3.2
73.02920	7.7
79.05489	7.7
81.03405	1.4
81.07062	15.9
83.04964	2.5
83.08593	1.5
84.08160	1.4
85.02912	13.8
86.09701	6.2
87.04478	1.2
87.10082	1.1
91.05489	11.6
93.07039	15.8
95.04974	9.2
95.08607	46.7
97.02901	7.6
97.06510	3.3
97.10173	1.3
98.06032	1.2
99.04446	2.9
103.05515	1.6
104.73336	1.2
105.07027	21.0
107.04927	1.9
107.08598	25.5
109.02867	2.0
109.06508	4.1
109.10153	13.6
110.10539	1.5
111.08087	1.7
115.03900	3.5
117.07024	4.5
118.06549	2.5
119.08580	46.1
120.08095	1.5
121.06521	3.7
121.10139	15.8
123.08080	4.9
123.11692	3.5
126.61575	1.1
127.03902	3.7
128.06242	2.0
129.07008	5.7
131.04956	1.2
131.08563	18.2
133.04945	1.1
133.06523	1.6
133.10132	18.3
135.08067	4.2
135.11708	8.0
136.07516	1.2
137.05975	2.0
137.09641	4.1
141.06981	1.4
142.07796	2.1
143.08548	11.1
145.04950	2.5
145.06558	1.3
145.10124	26.0
146.06046	5.9
146.10469	1.4
147.06313	1.4
147.08101	5.5
147.11708	10.2
149.09552	5.1
149.13297	5.4
151.11200	1.9
155.08563	4.0
156.09381	1.7
157.10123	13.5
158.10887	1.8
159.08037	2.0
159.11708	15.6
161.09605	5.0
161.13261	10.9
163.07439	1.5
163.11185	1.5
163.14819	3.2
165.09082	1.3
167.06990	1.6
169.10127	4.9
169.13336	1.6
170.10947	1.2
171.11679	7.8
172.12444	1.4
173.13277	14.1
175.07405	1.2
175.11200	2.4
175.14844	9.6
177.12772	2.3
177.16386	3.7
179.14278	1.7
183.11703	4.3
185.13263	8.1
187.14818	34.8
188.15166	1.1
189.12743	5.5
189.16379	7.4
191.14330	3.3
195.11671	1.5
196.29910	1.2
197.13152	6.2
198.13228	1.2
199.14760	10.9
201.12746	2.0
201.16382	13.6
203.14305	31.3
203.16084	2.2
203.17947	1.9
205.15836	7.6
209.13269	2.9
211.14841	5.4
213.16367	11.3
215.14299	8.4
215.17934	2.5
217.15900	9.9
219.17371	1.7
221.15245	1.8
223.14888	1.5
225.16383	2.9
227.14331	1.6
227.17947	2.7
229.15935	5.1
231.15372	1.4
231.17502	4.4
233.15353	2.2
237.16460	2.7
239.17999	2.3
241.15758	1.5
241.19446	1.9
243.17354	1.4
245.15231	1.5
247.17010	2.1
251.17856	1.3
253.19542	2.1
255.21111	1.6
259.14368	2.4
260.14825	2.0
269.19028	1.9
287.05515	1.3
307.24084	1.2
315.65100	1.3
342.18094	3.5
343.18396	2.0
385.28912	1.1
391.30322	2.0
393.31815	1.7
403.29816	4.8
405.31644	2.2
409.30908	1.6
411.28677	1.9
421.31000	8.4
422.31552	1.3
423.32657	5.5
431.29352	3.3
437.30264	2.9
439.32004	2.3
449.30356	9.2
455.31552	78.1
456.31827	9.0
467.31491	12.4
468.32034	1.6
485.32617	100.0
486.32999	11.1
503.33658	55.4
503.41147	2.5
504.34207	6.7
521.34570	9.5
557.42560	1.2
570.06525	1.3
587.35822	7.2
591.33740	1.5
617.36859	6.7
635.38403	1.8
653.13708	1.2
716.29541	1.4
815.25598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.6
60.99391	1.2
61.02923	1.4
65.03934	1.5
67.05509	9.1
69.03433	10.8
69.07066	5.9
73.02927	9.2
77.97742	1.3
79.05499	6.6
81.03416	1.5
81.07055	16.8
83.04984	2.3
83.08624	3.1
85.02898	9.3
86.09679	1.4
91.05507	9.8
93.07044	19.2
95.04971	8.2
95.08611	34.5
97.02905	7.2
97.06531	3.1
98.23310	2.5
99.04456	1.5
105.07033	25.8
107.08600	19.5
109.06528	4.2
109.10165	12.3
111.08096	3.2
115.03926	4.2
115.99056	1.2
117.07036	5.1
119.08585	40.9
120.08958	1.4
121.06499	4.3
121.10147	12.3
123.08080	4.6
123.11695	3.0
127.03935	2.1
128.06223	1.9
129.07024	3.1
131.08562	17.4
133.04932	1.6
133.10130	19.1
135.08098	4.4
135.11678	5.0
137.09625	2.7
137.13272	1.3
142.07727	2.7
143.08522	12.2
145.10121	26.8
147.08078	4.6
147.11700	11.0
149.09637	3.1
149.13293	5.0
155.08591	4.6
157.10149	15.1
158.10838	1.6
159.08075	3.1
159.11708	16.0
161.09651	3.7
161.13228	9.6
163.11169	2.2
163.14862	6.0
169.10153	3.0
170.10913	1.7
171.11678	6.9
173.13246	13.0
175.11136	2.4
175.14839	10.8
177.12738	2.3
177.16397	2.8
179.14246	1.7
181.10179	1.3
182.10863	1.4
183.11714	5.4
185.13310	8.7
187.11276	1.5
187.14816	34.7
187.42989	1.4
188.15210	1.7
189.12762	5.4
189.16362	8.3
191.14323	5.2
195.11674	2.6
197.13329	4.3
199.14810	11.9
200.15169	1.6
201.16403	11.3
203.14319	31.4
203.17899	2.4
205.15819	8.4
207.11844	1.6
211.14865	4.1
213.16359	10.0
215.14369	5.9
215.17986	2.7
217.10071	1.3
217.15845	9.5
219.17659	1.6
221.13353	1.7
221.15407	1.4
225.16364	2.0
227.17982	3.0
229.15913	6.4
231.17400	6.4
233.15445	3.3
233.19075	1.8
235.16983	1.7
239.17900	3.3
241.19565	1.7
247.16931	2.2
257.18979	1.8
271.20618	2.1
279.21188	2.2
291.79865	1.4
391.29581	1.5
403.29712	5.1
405.31561	2.4
409.30597	1.8
419.29239	1.7
421.31134	8.9
423.32626	5.7
431.29279	2.6
437.30341	2.2
439.31763	6.0
449.30606	8.2
455.31561	72.3
456.31964	7.8
467.31583	15.1
468.31921	2.6
485.32648	100.0
486.32916	11.8
496.34219	1.6
503.33691	62.0
504.34146	7.6
521.35004	8.6
587.35785	11.4
617.36578	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	815.442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.5
57.07076	1.1
65.03939	1.3
67.05508	12.0
69.03440	9.5
69.07079	5.5
70.06580	1.0
70.46652	2.1
73.02905	5.6
79.05504	5.8
79.99728	0.9
81.03429	1.6
81.07058	15.0
83.04988	2.2
83.08604	2.5
85.02907	10.5
87.04464	1.3
91.05476	10.2
93.07040	14.7
95.04976	10.2
95.08610	41.9
96.66460	1.0
97.02888	8.4
97.06538	3.6
97.10191	1.6
99.04485	1.1
103.89737	1.0
105.06360	2.2
105.07023	20.7
107.08598	18.9
109.06529	3.6
109.10157	15.7
111.08067	2.8
115.03951	3.1
117.07016	4.6
117.82920	0.9
119.08583	40.1
120.08961	1.0
121.06512	4.4
121.10147	16.3
123.08086	5.1
123.11722	4.8
127.03923	2.9
129.07037	3.8
131.08575	19.6
133.04997	1.2
133.06505	1.4
133.10132	20.5
135.08061	4.4
135.11702	7.0
137.09641	3.8
137.13257	1.3
142.07788	2.4
143.08569	11.3
145.10132	32.4
147.08070	6.3
147.11703	12.4
149.09637	3.3
149.13272	5.2
151.11159	1.2
155.08597	3.5
156.09387	2.0
157.10133	12.0
158.10919	1.0
159.08023	1.7
159.11696	18.6
161.09608	5.1
161.13283	10.8
163.11151	2.2
163.14861	4.4
169.10149	5.7
170.10983	1.1
171.11696	8.4
172.12538	1.8
173.09601	2.5
173.13266	17.0
175.00035	1.2
175.11234	3.4
175.14844	12.6
177.12854	2.5
177.16403	4.6
179.14386	1.9
181.10051	1.5
182.10899	2.0
183.11667	4.8
184.12512	2.2
185.13240	9.6
187.11223	2.1
187.14824	42.4
188.15253	1.4
189.12749	6.6
189.16357	10.6
191.14365	4.2
195.11722	2.1
197.13252	4.6
199.14836	12.5
201.12735	2.1
201.16393	16.1
202.16672	1.2
203.14320	32.1
203.17963	3.1
204.14694	2.0
205.15910	9.3
207.11615	1.1
211.14862	2.8
213.16385	10.2
215.14348	6.9
215.17999	3.3
217.15884	11.4
219.13731	1.1
219.17607	1.9
223.14835	1.4
225.16425	3.3
227.14316	1.3
227.17940	4.0
229.15857	6.4
229.19539	1.7
231.13896	1.4
231.17450	5.7
231.23878	1.0
233.15424	3.8
237.16565	1.2
239.18021	2.8
241.19571	1.6
243.17433	1.9
245.15387	2.5
247.17044	1.9
251.18138	2.1
253.19537	2.2
255.17316	1.2
257.19122	1.4
263.17938	1.1
265.19760	1.3
267.21152	1.9
279.21069	1.2
353.24695	1.7
365.28580	1.2
371.25958	1.3
385.28943	2.1
391.29950	2.8
393.31329	1.3
403.29831	6.9
405.31589	2.7
409.31296	2.0
421.30798	7.7
422.31009	1.1
423.32498	3.6
431.29471	3.7
437.30579	3.0
438.30869	1.1
439.32257	3.4
449.30557	9.6
455.31567	87.7
456.31763	9.5
467.31659	15.9
468.31860	2.6
485.32632	100.0
486.32980	12.8
496.34378	2.4
503.33670	60.7
504.34113	8.3
521.34906	9.7
522.34991	2.0
558.05841	1.1
587.35931	5.4
588.36469	1.6
617.36926	5.0
618.36584	1.4
635.37701	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	815.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49620	1.5
67.05514	2.6
70.71120	2.6
76.07837	1.5
81.07077	2.3
95.08636	2.3
164.90807	1.4
243.53537	1.4
249.34308	1.6
537.27478	1.8
619.53162	1.5
815.50635	100.0
816.50940	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	816.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04527	12.7
70.06593	2.9
72.07750	1.7
72.08155	30.6
74.06075	6.7
83.06124	2.4
84.04500	64.4
84.08141	25.0
86.09695	12.8
87.05603	1.3
93.56584	0.8
98.09709	0.8
99.05579	1.3
101.07137	64.8
102.05547	10.6
105.06689	0.8
112.03960	40.9
122.06027	3.6
125.07157	0.9
125.79272	0.8
128.10757	1.2
129.06595	48.5
129.10236	12.1
129.11078	1.1
130.04997	12.4
130.08629	12.6
137.05980	1.7
139.05020	1.8
139.08696	1.3
140.07079	5.7
140.08044	0.8
147.07698	1.5
147.11293	13.7
147.12401	1.1
150.05504	9.4
153.06599	5.2
155.11807	2.0
165.06688	1.3
166.09798	2.8
167.08167	21.8
168.06619	1.3
170.09303	2.6
171.15005	2.9
173.12857	8.9
177.05435	1.4
181.06042	3.8
183.11346	1.2
184.10869	4.1
185.09213	7.6
185.16605	2.5
186.08794	1.8
194.09232	11.7
195.07637	21.1
196.07906	0.9
198.08714	4.9
199.14497	1.3
201.12379	3.7
202.11942	2.3
212.10292	43.9
213.08797	4.3
213.10606	1.3
218.09360	1.0
219.07640	0.9
222.08743	1.0
223.07262	1.4
230.11432	3.4
236.10324	1.4
238.15758	0.8
240.09784	45.3
241.10300	1.5
243.17188	0.7
254.11467	0.9
258.10855	12.6
260.19678	8.1
264.09750	4.6
265.16528	0.9
266.15039	1.5
278.11655	1.0
281.12384	1.2
282.10968	1.4
295.13943	0.9
296.12564	1.6
305.12506	2.0
306.10913	3.1
313.15131	3.6
315.13065	4.1
323.13513	10.7
324.12000	3.0
331.16290	2.6
341.14523	57.2
342.14844	2.9
359.15564	16.4
359.19629	1.3
359.26520	9.2
360.16190	0.9
412.22205	2.1
430.22961	1.1
440.21402	26.1
441.21848	2.4
458.22446	25.1
458.33096	1.6
459.23044	2.7
539.28674	1.6
557.29230	21.1
558.29596	2.3
670.38092	1.6
798.47241	1.7
816.48181	100.0
817.48462	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	817.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	7.0
69.17232	5.0
69.17634	17.4
81.07037	4.1
85.00701	2.8
93.07047	5.2
93.24787	2.9
97.02892	3.6
98.22668	7.0
102.90491	3.0
115.07673	2.9
150.84726	2.9
237.68071	3.4
272.61768	3.0
340.90839	3.8
537.29480	3.4
546.39868	3.5
817.52997	100.0
818.52734	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	818.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.6
67.05508	18.1
68.05844	0.2
69.03414	0.2
69.07069	12.9
70.06590	3.4
71.04990	3.0
71.30583	0.3
84.08135	0.5
85.06539	0.4
94.06576	0.3
95.04971	36.8
96.05284	0.5
109.94207	0.2
112.07607	100.0
113.06006	18.9
113.07906	1.7
114.06344	0.4
130.08661	0.3
155.07033	2.4
156.07410	0.2
169.46791	0.2
173.08096	2.0
173.71191	0.2
180.30423	0.2
182.65558	0.2
185.06201	0.2
207.10208	0.3
224.12822	17.9
225.11179	0.5
225.13177	0.9
242.13930	0.8
284.14935	17.8
285.15256	0.8
336.18069	2.8
345.15479	0.4
396.20044	0.5
397.18613	0.3
456.22061	0.4
508.25214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29884	12.3
65.83830	11.5
67.05514	44.3
79.05508	31.7
81.07064	31.0
81.69987	10.8
83.36427	9.9
91.05486	25.2
92.58628	11.0
93.07069	36.9
95.08614	34.8
95.51792	9.9
107.08602	13.7
121.10096	14.0
150.15440	13.1
186.09312	10.5
209.91861	11.4
230.29674	11.8
261.22064	15.3
335.25793	100.0
784.98804	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	821.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	4.0
67.30550	1.0
69.03416	1.1
70.06583	0.9
71.30559	1.0
79.05493	2.9
81.07061	2.3
85.02898	2.6
90.36486	1.0
91.05477	3.0
93.07053	4.1
94.06557	5.8
95.04977	2.5
95.07365	4.3
95.08615	2.6
96.08119	5.2
97.06567	1.3
103.05473	1.3
105.07012	1.7
106.06543	1.1
107.04984	1.5
107.08591	2.7
108.04482	3.0
108.08115	9.1
109.06516	1.5
109.10191	1.5
110.09663	10.2
115.05457	1.2
119.08595	2.1
120.08119	11.1
121.06499	1.3
121.10184	1.6
122.06005	7.9
122.09689	2.1
124.07613	1.4
132.04448	2.3
133.10152	1.2
136.07574	4.6
137.05962	2.7
137.08376	1.1
137.09583	1.3
138.09148	14.4
143.57190	1.0
148.07597	4.0
148.69211	1.1
150.09154	2.6
152.07054	1.3
160.03954	8.6
166.08646	24.9
167.07028	9.1
172.03848	2.3
179.07042	1.6
180.10208	3.4
181.04919	6.5
182.11787	2.0
190.04912	1.8
191.07071	2.5
191.96547	1.0
192.06548	1.6
195.06628	1.1
200.12881	1.0
203.07143	1.2
204.06531	2.1
211.08698	2.8
211.12337	2.5
212.09468	1.6
213.10201	2.9
222.11502	1.2
223.08730	3.1
223.12317	1.6
224.09496	1.4
224.13130	1.6
225.10210	17.7
226.10966	10.3
227.11726	6.7
234.08807	2.1
235.12363	1.2
236.09518	2.3
237.10153	8.4
237.13933	1.6
238.10866	5.5
239.08211	7.8
239.11790	22.5
240.12471	7.7
241.09683	1.1
248.09518	1.8
249.10239	6.3
250.11040	8.1
251.08148	3.9
251.11813	23.3
252.08826	1.7
252.12469	5.8
253.09758	7.0
253.13380	7.6
254.10535	9.5
263.11783	16.8
264.12512	4.1
265.09958	8.5
265.13333	17.0
266.10687	5.9
266.13962	4.2
267.11313	8.3
268.11996	1.4
269.09198	1.1
271.06110	1.0
271.10779	3.7
277.09622	2.0
278.10446	3.5
279.11331	7.0
280.11761	2.0
281.12839	9.4
282.12897	1.3
283.10794	6.4
283.14185	1.8
285.12262	7.8
286.13239	2.0
287.05521	2.5
291.11285	3.9
293.10007	1.2
293.12811	7.0
295.14291	1.3
297.12341	2.8
298.13135	4.9
299.13895	38.6
299.17157	2.3
300.14435	2.1
309.12549	5.0
310.13046	5.6
311.13910	12.7
312.14447	1.7
313.15469	33.2
314.15796	2.1
319.10794	2.2
323.13876	22.1
324.14499	3.3
325.12186	1.5
325.15488	30.5
326.15924	3.0
337.11655	1.2
339.13492	3.2
340.14130	2.5
341.14969	78.9
342.15283	5.8
351.13260	8.3
352.14093	3.3
353.14911	8.4
355.16556	1.5
357.14441	1.5
370.15149	1.5
371.15997	4.2
372.16772	3.4
373.17648	11.7
383.16028	30.4
384.16467	3.2
385.13077	1.4
385.17596	33.2
386.17999	2.0
401.17496	1.3
414.18228	2.1
417.15591	2.6
426.38028	1.2
426.96994	1.1
446.20786	16.4
462.20221	16.9
463.20160	2.2
474.20297	15.6
475.20560	2.1
478.23135	1.5
494.22882	98.1
495.23233	10.2
505.22104	1.4
506.22894	100.0
507.23248	8.6
537.24884	7.6
538.25250	6.9
627.28424	6.0
627.36572	1.2
641.29791	2.7
659.30646	7.7
660.30042	1.4
667.27069	3.7
699.29712	1.7
821.41479	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	60.9
62.97487	3.8
65.03968	5.9
67.05505	90.7
69.03431	6.5
69.07062	28.3
69.42421	20.4
70.70362	3.2
71.04993	4.6
79.05492	66.8
80.12099	3.6
81.03418	4.6
81.07061	92.2
83.04987	10.9
83.08620	12.2
85.02900	4.2
85.06535	7.2
90.35739	3.3
91.05484	51.3
93.07040	62.8
95.04976	14.4
95.08604	61.6
97.06558	9.6
98.23357	3.9
105.07032	31.6
107.04933	4.4
107.08585	38.2
109.06504	28.9
109.10155	24.6
111.08076	4.9
117.07014	13.7
117.94479	3.3
119.08589	32.7
121.06527	5.2
121.10170	20.2
123.08126	6.7
123.11787	4.6
127.07542	40.2
129.07011	6.3
130.07886	3.6
131.08582	20.6
133.06491	7.3
133.10063	19.6
135.08031	21.5
135.11650	7.5
137.05942	4.1
140.17354	3.5
143.08559	5.9
145.10129	10.2
147.08099	6.0
147.11673	14.8
149.09616	4.7
149.13191	7.3
155.08554	6.0
157.10085	5.3
159.11688	12.0
161.09596	6.0
161.13220	5.3
165.12747	5.8
171.11638	4.5
173.13232	7.5
175.11179	3.8
217.15904	5.8
235.16910	9.0
261.22232	6.4
273.18433	21.5
291.19562	94.2
292.19916	6.0
308.29776	3.6
335.25806	100.0
336.25964	10.1
365.23215	50.5
400.48929	3.7
472.68970	5.0
500.20117	4.6
529.38794	5.2
625.44617	76.4
626.44653	14.5
646.43488	4.3
769.09033	4.3
823.51630	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	823.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29015	1.3
61.02919	5.4
65.03956	5.4
67.05508	25.7
68.98353	1.5
69.03432	31.4
69.07076	10.4
69.30472	3.7
69.30880	5.2
71.01385	3.0
71.04994	18.0
73.02915	25.4
74.78391	1.3
75.04465	1.9
77.03902	1.6
79.05498	16.4
81.03419	12.1
81.06591	1.6
81.07059	30.2
82.94479	1.4
83.04983	67.6
83.08614	2.7
85.02907	64.9
86.13531	1.4
87.04449	1.9
91.05480	25.5
93.03377	1.5
93.07049	34.5
95.04977	28.1
95.08611	73.7
96.08949	2.7
97.02898	24.7
97.06537	6.3
97.10194	1.6
99.04462	12.1
101.06029	3.5
103.05426	2.3
105.07037	52.2
107.04953	5.8
107.08596	37.1
107.09282	2.7
108.08945	1.4
109.06530	7.9
109.10152	25.3
111.04446	82.5
111.08099	5.4
113.06014	6.7
115.03937	13.8
115.05445	3.2
116.06255	2.2
117.07026	11.1
119.04937	1.7
119.08582	99.9
121.06507	9.0
121.10150	28.4
123.04472	1.5
123.08067	8.4
123.11739	4.9
123.65195	1.4
125.09575	2.0
127.03943	4.2
128.06239	5.1
129.05493	27.6
129.06996	10.9
130.07753	2.1
131.08569	49.8
133.06514	3.6
133.10139	38.1
135.08063	8.4
135.11674	12.8
137.06039	3.0
137.09634	7.7
137.13260	1.6
141.07016	3.1
142.07771	5.1
143.03334	1.7
143.08574	25.7
144.09357	2.7
145.06538	1.9
145.10126	74.6
146.10474	3.5
147.08072	11.0
147.11687	25.2
149.09599	10.2
149.13252	11.6
151.11177	1.8
153.05458	2.4
155.08549	9.5
156.09355	4.8
157.05002	2.1
157.10130	28.2
158.10704	2.2
159.08089	5.5
159.11699	40.2
160.12094	1.6
161.06058	1.8
161.09613	10.7
161.13260	24.4
163.07620	3.5
163.11238	3.2
163.14825	9.3
165.09122	2.1
167.07048	3.8
167.08482	2.9
168.09288	1.9
169.10138	7.7
170.10915	4.0
171.06537	70.2
171.11688	18.8
172.06931	2.3
172.12357	2.7
173.08157	3.1
173.09651	5.3
173.13268	29.7
174.13559	1.7
175.11227	5.3
175.14839	17.9
177.09218	2.0
177.12749	4.0
177.16371	7.6
179.14291	3.6
181.04945	3.0
181.10143	3.3
182.10922	5.4
183.11652	11.0
184.12334	2.2
185.13249	22.6
187.11221	3.1
187.14825	100.0
188.15182	3.5
189.07588	45.1
189.12730	14.2
189.16371	17.4
191.14326	8.0
191.17999	1.8
195.11743	4.3
197.13254	8.5
199.14825	23.1
200.15219	1.8
201.12799	4.1
201.16397	32.4
203.14319	59.4
203.17967	5.9
204.14713	3.4
205.15880	17.2
207.13770	2.2
209.13324	4.6
211.14819	10.5
213.12802	3.0
213.16368	21.3
215.14342	15.7
215.17830	8.0
217.15883	18.8
219.13866	3.9
219.17427	3.6
221.13266	2.1
221.15384	2.8
223.14923	3.1
225.07567	2.2
225.16435	6.3
227.14272	2.0
227.17947	8.2
229.15855	12.2
229.19543	2.0
231.13829	3.2
231.17398	10.1
233.15492	6.8
235.14804	1.9
235.16888	1.9
237.16415	3.7
239.17960	5.0
241.15926	3.2
241.19511	3.5
243.08580	2.7
243.17552	2.2
245.15381	4.8
245.18983	1.9
247.16896	6.6
249.11253	3.4
249.18544	2.5
251.17990	3.1
253.19597	6.3
255.17432	2.8
257.19028	1.8
259.17072	2.2
267.21170	4.4
269.18991	1.9
281.19150	1.7
281.22571	2.8
283.17041	2.2
285.09738	2.2
303.10718	9.1
307.24133	2.2
309.22467	1.9
309.25772	1.8
323.27353	2.8
353.25131	2.1
365.28757	2.0
371.25793	2.4
375.30695	2.2
377.28448	1.8
385.28577	4.4
387.30399	3.0
391.30051	4.0
403.29977	13.1
405.31708	7.2
413.28540	2.3
419.29434	5.6
421.31000	18.9
422.31418	3.1
423.32855	7.5
424.32809	1.8
431.29306	6.0
437.30545	7.8
439.32050	9.1
449.30579	18.5
450.30634	3.0
455.31607	84.2
456.31888	9.4
457.33185	1.9
467.31638	40.9
468.32016	3.9
485.32672	63.8
486.33017	6.9
503.33649	21.2
513.31940	3.4
527.33759	2.2
587.35785	28.4
588.36029	3.1
595.36035	4.7
599.35474	2.0
613.37030	2.2
617.36908	10.9
635.37762	2.0
659.37689	5.3
673.38940	4.7
691.40332	4.1
778.39594	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	5.1
67.01876	1.3
67.05513	3.1
69.03434	10.6
69.07076	2.2
70.06622	2.8
71.04993	2.7
71.08651	6.9
72.08154	2.4
72.38251	1.2
73.02925	1.3
78.04709	2.2
79.05505	6.8
81.03419	8.3
81.07056	4.7
82.04247	1.5
83.04987	10.0
85.02900	15.9
86.06072	30.1
86.06592	1.5
86.28555	1.3
87.04472	1.7
91.05479	12.1
93.03400	6.0
93.07038	6.8
95.01328	9.8
95.04964	6.8
95.08621	2.8
96.08138	3.6
97.02885	8.3
97.06537	3.3
98.09693	11.7
98.22561	3.2
99.04459	2.6
99.08102	8.2
101.06029	13.7
101.53710	1.3
103.05477	16.1
105.03422	1.6
105.07024	12.8
106.04169	9.6
107.04977	9.1
107.08618	3.5
108.08146	1.8
109.02894	5.1
109.06518	3.6
111.04441	20.9
111.08101	1.8
113.02332	2.7
113.06021	1.3
115.05462	4.7
116.10729	38.7
117.07030	4.5
118.04166	4.3
119.04958	2.7
119.08586	2.7
121.06506	17.2
121.10159	1.3
122.09715	1.2
123.04435	2.8
123.08060	1.5
124.05260	2.4
125.06035	6.2
127.03925	7.0
129.05505	8.4
129.07001	1.7
131.04930	15.0
131.08475	1.2
133.02856	2.1
133.06503	12.2
133.10168	1.8
134.03636	3.4
135.08031	2.3
135.11656	1.4
137.05986	5.7
138.09192	2.5
139.07576	2.2
141.01859	8.3
142.02565	1.6
142.08649	3.3
143.10657	3.3
145.04977	4.5
145.06517	4.5
147.06534	1.9
148.05154	8.2
149.05981	26.9
151.03912	3.8
151.07562	5.1
153.05482	2.6
153.09096	6.5
155.07069	2.1
159.04509	1.6
159.08040	2.2
161.05977	12.3
163.07530	13.3
164.10593	1.6
165.05510	3.0
167.07043	54.9
173.06029	5.9
175.07574	3.5
176.04716	2.5
177.05487	16.3
177.09084	1.4
179.07040	1.8
181.04965	47.6
181.08557	18.9
182.05383	1.5
182.15402	1.6
187.07520	2.2
189.09120	2.4
191.07030	55.8
192.07507	2.7
193.08607	25.0
193.10222	2.1
194.09024	1.6
195.06599	2.2
203.07014	1.7
205.08672	4.1
207.06580	1.9
208.13367	2.4
209.08090	100.0
210.08455	3.7
212.16599	2.0
214.18076	5.6
217.08536	2.8
217.12256	1.5
219.10239	3.8
226.14333	7.5
233.08116	3.8
235.07573	2.0
235.09669	5.5
235.13315	1.8
245.08061	1.5
253.14403	2.8
260.08185	1.2
261.13385	2.1
263.09177	15.0
267.10193	2.3
269.06360	1.4
278.05502	1.3
284.75949	1.2
287.05450	3.4
288.05820	1.3
325.10590	2.4
331.10355	1.5
337.10852	1.3
357.13306	4.6
374.21918	1.6
384.16403	2.4
385.12970	8.9
387.14310	2.1
399.14728	2.3
402.17587	26.7
417.15640	15.3
418.15793	1.5
462.26190	1.7
482.23773	1.7
500.24985	9.4
564.22870	37.1
565.22845	3.8
609.22736	2.0
644.28955	2.5
662.30115	22.9
663.30188	2.1
726.27881	9.7
775.03418	1.5
824.34711	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	824.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	5.8
65.91547	0.6
66.51819	0.6
67.05496	1.1
69.03428	1.1
75.04477	3.0
76.75311	0.5
77.03925	0.8
78.04713	2.9
79.05490	3.4
81.03403	1.7
82.04193	0.8
85.02912	5.0
89.03912	0.9
91.05482	10.0
92.80944	0.5
93.03407	8.1
93.07057	4.1
95.04967	4.1
97.02885	1.2
97.06549	2.7
103.05467	15.4
103.50342	0.6
105.03416	0.9
105.04485	1.2
105.07037	5.1
106.04173	16.8
107.04408	0.7
107.04971	8.2
108.02101	0.7
109.06527	0.7
110.03640	1.5
111.04418	0.8
115.05475	4.3
117.07021	2.9
118.04150	2.6
119.04938	1.8
121.06511	18.7
122.46117	0.6
123.04432	3.5
123.08065	0.5
124.05235	1.5
125.05986	8.4
127.03924	0.9
128.21002	0.5
129.06973	1.0
130.04132	1.1
131.04935	13.8
131.08490	0.6
133.02904	1.3
133.06487	6.0
134.03645	3.2
135.04410	1.1
135.08015	1.7
137.05981	4.0
138.03084	1.0
139.07564	1.6
142.02568	0.8
143.04929	1.1
144.05652	1.5
145.02762	0.8
145.06476	4.9
147.08080	1.5
148.05196	8.5
149.05984	31.8
150.06419	0.7
151.03896	3.0
151.07539	2.2
152.04669	1.0
153.05551	3.8
153.09077	7.8
155.05995	0.7
157.06421	0.7
159.08038	1.5
160.05266	0.8
161.05978	7.9
162.07639	1.0
163.03882	1.7
163.07545	17.9
163.52751	0.6
165.05484	1.2
165.09161	0.7
166.06213	0.7
167.07039	44.8
168.07359	1.6
171.06511	1.5
173.05983	5.0
175.07578	2.2
176.04675	1.6
177.05467	19.0
178.05728	0.9
179.07071	0.8
181.04964	49.6
181.08557	18.4
182.05293	1.2
185.06052	0.6
187.07515	2.4
189.05383	0.9
189.09059	1.3
190.06290	0.7
191.07037	61.8
192.07445	2.4
193.04930	1.0
193.08624	3.5
195.06587	2.9
201.05455	1.0
203.06952	1.3
205.08551	3.4
207.06502	1.5
207.10138	1.5
209.08089	100.0
210.08392	4.1
210.14780	0.9
217.08582	2.7
219.06352	0.6
219.10112	3.4
221.08060	1.7
222.65695	0.7
225.07506	0.7
229.08502	0.8
231.06520	0.7
233.08067	3.4
235.07573	1.3
235.09657	3.8
237.09377	0.8
245.08125	1.3
255.06810	0.6
261.11331	0.7
263.06442	1.1
263.09158	17.4
264.09778	0.6
265.08499	0.9
267.10135	2.8
279.10211	0.6
293.08041	0.6
295.09506	1.0
297.11008	1.5
307.09570	0.7
325.10733	2.1
327.12012	0.8
355.11783	1.0
357.13330	5.1
359.14960	1.0
367.11530	1.4
369.13327	1.1
369.44635	0.7
385.12750	7.2
387.14243	0.8
399.14395	3.4
417.15427	16.5
418.15652	1.3
578.37811	0.6
609.22754	0.8
714.55127	0.6
857.90302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50352	0.5
65.03946	3.9
67.05497	1.9
69.03419	2.1
69.06753	1.5
69.07169	3.6
70.06563	0.8
71.04990	1.0
72.33491	0.5
75.04489	2.8
78.04710	2.3
78.67902	0.5
79.05498	4.6
81.03406	2.0
81.07044	2.0
82.04189	1.0
83.04950	0.9
84.62460	0.5
85.02911	6.0
89.03934	0.8
89.06029	0.9
91.05485	8.9
93.03412	8.0
93.07037	4.0
95.04981	5.2
95.08609	1.4
97.02891	1.4
97.06555	2.8
99.04478	0.7
102.04636	0.6
103.05475	16.2
105.03392	1.5
105.04512	0.7
105.07034	6.0
106.04176	15.9
107.04967	8.0
107.08572	0.8
109.02895	1.2
109.06493	1.8
110.03659	1.5
111.04417	0.9
115.03917	0.6
115.05448	3.3
117.03346	0.8
117.07006	3.0
118.04163	2.7
119.04935	1.4
119.08578	1.1
120.08105	0.7
121.06514	19.5
123.04392	3.1
123.08051	1.2
124.05187	1.8
125.06010	7.0
127.03867	1.2
128.06268	0.7
129.07018	1.4
130.04149	1.0
131.03996	0.8
131.04941	14.6
131.08563	1.1
132.05711	0.7
133.02785	0.7
133.05481	0.6
133.06493	4.7
133.10106	2.3
134.03612	3.1
135.04428	0.9
135.08060	1.6
137.05978	4.8
138.03140	1.0
138.06781	0.7
139.07533	1.9
140.04665	0.8
141.06967	1.0
142.02614	1.2
143.04945	0.8
144.05673	1.0
145.02850	0.8
145.06474	4.0
146.03639	0.8
146.07205	0.6
147.04352	0.9
147.08038	1.3
147.11696	1.1
148.05200	7.9
149.05991	29.4
150.06398	1.1
151.03926	1.8
151.07527	2.3
153.05467	3.3
153.09100	9.0
155.06039	0.7
156.05664	0.7
157.06448	1.0
159.08054	1.0
161.05988	5.4
163.03922	1.5
163.07539	16.6
165.05482	1.6
165.09204	0.6
166.06250	0.6
167.07050	32.8
168.07368	0.6
171.06548	1.4
173.05971	5.8
174.06784	0.8
175.07524	2.4
176.04680	2.2
177.05476	21.9
177.07025	1.2
178.05867	0.8
179.07034	1.3
180.07703	0.6
181.04964	47.7
181.08545	17.1
182.05286	2.0
185.05954	0.6
187.07506	2.6
189.05508	0.8
189.09050	0.7
190.06259	1.0
191.07034	55.1
192.07452	2.4
193.04904	0.7
193.08629	3.7
195.06624	3.2
197.08087	0.6
199.72000	0.6
201.05472	1.1
203.06990	1.8
203.14355	2.8
205.08598	4.2
207.06497	3.0
207.10100	1.0
209.08093	100.0
210.08380	3.9
217.08652	1.6
217.12038	0.6
219.06422	0.8
219.10101	2.5
221.08092	1.8
225.07489	0.6
233.08023	3.7
234.08690	0.6
235.09555	3.3
237.09071	0.7
245.08060	1.2
253.14401	0.8
257.08163	0.7
263.09158	13.8
265.08493	0.6
267.10242	1.3
276.07608	0.6
277.08609	0.6
279.09970	0.7
287.05484	0.8
295.09552	0.7
297.11230	0.9
299.09491	0.7
307.09540	0.7
325.10660	2.1
325.14291	0.6
331.12234	0.6
337.10468	0.6
339.12576	0.9
344.12393	0.6
357.13287	4.5
367.11682	0.9
369.13519	0.8
371.14801	0.6
385.12878	6.6
387.14456	1.3
399.14334	2.5
417.15460	19.3
418.15796	2.2
509.20703	0.7
579.20642	3.4
691.29688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.8
65.03934	6.6
67.05504	98.6
69.03427	7.1
69.06707	1.4
69.07066	32.5
71.05010	4.9
77.03927	2.1
79.05491	81.3
81.03430	7.2
81.07056	100.0
82.07431	1.8
83.05007	9.4
83.08624	15.7
85.02901	8.3
85.06541	5.6
91.04902	3.0
91.05001	1.6
91.05481	70.2
93.07045	77.5
95.04978	11.8
95.08603	62.3
97.02884	6.1
97.06538	8.3
97.10175	10.1
98.22551	4.9
99.08108	4.5
105.04494	2.6
105.07032	59.8
107.04971	6.0
107.07876	2.3
107.08591	45.1
109.06519	11.4
109.10159	29.5
111.04470	2.0
111.08090	5.4
115.05463	4.2
117.07001	23.5
119.08578	45.2
121.06491	2.5
121.10146	30.5
123.08077	3.9
123.11720	9.8
125.09643	7.5
127.03905	4.2
128.06256	2.7
129.06993	9.6
130.07784	2.2
131.08575	30.2
133.10133	29.3
135.08115	3.8
135.11703	15.2
137.09619	3.3
139.11136	2.7
142.07822	2.2
143.08568	6.8
145.10114	27.9
147.11678	24.8
149.09648	6.1
149.13277	7.8
155.08536	4.6
157.10138	6.1
159.11696	19.6
161.09602	2.0
161.13283	7.1
163.11197	4.5
165.12752	5.7
167.08467	2.2
169.10150	5.4
171.11691	6.1
173.11795	4.2
173.13309	9.1
175.11247	2.5
175.14830	3.2
183.11743	4.0
185.13269	8.0
187.14822	4.9
189.11336	2.5
189.12834	2.2
192.90898	1.7
195.13828	2.2
197.13290	3.9
199.14917	2.2
201.16396	3.2
203.14230	4.1
213.16507	2.6
219.17406	5.6
227.12761	9.5
229.14333	8.8
229.34760	2.5
239.17973	5.0
243.20982	2.5
247.20648	2.1
255.15790	2.6
257.18985	11.6
259.20612	2.9
261.22241	11.0
267.15918	7.5
269.17581	6.6
275.20071	54.4
293.20764	2.7
317.24817	2.8
331.22641	1.9
335.25793	82.2
336.26053	6.8
349.23724	41.1
373.18402	2.6
489.35718	10.8
502.73206	2.1
529.38873	6.1
545.37659	2.7
569.41510	3.7
609.45142	44.8
610.45007	6.8
626.47156	2.4
627.45953	7.3
795.56189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	2.8
65.03941	3.6
67.05509	84.7
68.05841	1.4
69.03432	7.9
69.07071	22.4
71.04992	5.6
73.02914	2.4
79.05497	65.8
81.03419	8.0
81.07058	81.0
81.47490	1.1
82.07381	1.8
83.04989	9.0
83.08627	10.4
85.02917	4.0
85.06528	4.0
91.05481	53.0
92.19137	1.2
93.07050	69.5
94.07358	1.9
95.04993	9.8
95.08608	56.8
97.02905	6.1
97.06520	8.5
97.10165	5.7
98.23373	2.0
99.08096	2.1
104.06291	1.6
105.04507	3.9
105.07034	42.1
107.04961	4.0
107.08598	39.6
109.02930	1.3
109.06545	5.4
109.10163	30.0
111.04463	1.6
111.08067	4.1
113.09615	1.4
115.05431	2.9
117.07018	20.7
119.08582	31.0
121.06535	3.0
121.10146	29.3
123.08066	4.4
123.11697	5.5
125.09623	2.1
127.03909	1.7
128.06242	1.6
129.05554	1.7
129.07014	8.1
131.08571	26.5
133.06523	1.9
133.10132	25.7
135.08058	4.2
135.11676	14.4
137.09634	4.7
141.06955	2.1
143.08566	7.5
145.10132	15.0
147.08051	1.4
147.11676	13.0
149.09625	5.2
149.13243	8.5
151.11182	1.9
153.09044	1.2
155.08583	2.1
157.10110	6.4
159.11751	14.9
161.13222	6.8
163.11185	3.5
163.14862	3.2
169.10156	3.7
171.11707	4.3
173.11777	3.3
173.13301	11.2
175.14848	2.5
177.12762	2.6
183.11716	4.4
185.13324	5.7
187.14854	1.8
189.12822	1.6
189.16492	2.0
191.14301	1.7
195.13837	2.0
197.13303	1.4
199.14845	3.4
201.16373	1.7
203.14355	2.4
211.14807	2.6
217.15942	3.5
219.17363	2.5
227.12740	2.4
229.14328	9.9
235.16919	1.8
237.07117	1.2
239.17899	3.0
243.21065	2.8
247.20471	2.3
255.15877	1.3
257.19034	10.0
259.20441	1.3
261.22119	9.7
269.17551	6.4
275.20010	21.8
283.19003	2.2
291.19598	2.4
309.20578	8.8
313.65262	1.3
317.24789	2.9
331.22653	2.3
333.23999	1.8
335.25803	100.0
336.26105	8.2
337.27371	1.6
349.23788	16.7
367.24734	2.1
486.92850	1.4
489.35617	8.2
490.36307	1.6
515.37177	3.7
529.38995	23.7
530.38995	3.6
543.40204	3.3
569.41931	25.0
570.42175	3.4
609.45087	19.1
610.45483	3.0
627.45825	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.1
65.03960	4.4
65.10966	1.4
67.05511	69.5
69.03431	4.9
69.07069	26.4
71.04992	4.1
79.05498	55.8
80.05839	1.8
81.03425	5.5
81.07063	68.8
83.04979	5.6
83.08619	12.5
85.02923	3.9
85.06557	3.4
91.05491	49.9
93.07050	56.1
95.04972	9.4
95.08614	50.5
95.09232	1.8
97.02900	6.2
97.06532	11.4
97.10152	11.1
98.22614	2.4
99.08086	2.5
104.37953	1.7
105.04545	1.7
105.07036	36.8
107.04962	3.9
107.08604	43.4
107.09290	3.4
109.06528	5.0
109.10162	24.8
111.08085	3.7
115.05499	1.7
117.07033	14.2
119.08592	30.6
121.06491	3.9
121.10148	22.5
123.08080	4.6
123.11723	7.8
125.09634	8.6
127.03982	3.3
129.07016	6.2
131.08580	20.2
133.10135	17.2
135.08086	4.7
135.11710	15.7
137.09607	2.8
139.11150	2.5
143.08580	6.6
145.10147	17.2
147.08052	1.9
147.11684	17.3
149.09612	8.5
149.13293	5.8
155.08583	3.8
157.10121	5.2
159.11711	15.7
161.13329	8.3
163.11197	4.1
163.14902	3.8
165.12822	2.7
169.10158	3.0
171.11729	5.0
173.13257	10.6
175.14880	3.3
177.12712	2.1
179.14250	2.7
183.11700	3.5
185.13344	6.4
187.14827	2.9
189.11255	6.0
197.13312	4.3
203.14334	2.3
211.14682	1.6
219.17549	3.5
227.12753	13.6
229.14395	3.6
239.18007	3.6
241.19518	1.7
247.20706	2.4
257.19003	11.3
259.20654	4.2
261.22119	9.7
267.15948	3.2
269.17410	3.0
275.20056	47.0
276.20435	2.5
277.21719	1.8
293.21234	4.1
317.24533	2.0
321.24197	1.9
331.22705	3.0
335.25818	100.0
336.26163	6.5
349.23767	41.3
350.23843	2.6
377.15894	1.6
431.32095	2.2
484.00681	1.9
489.35303	3.3
490.35858	2.0
505.35159	4.5
513.12054	2.2
529.38861	5.9
569.42273	2.0
609.45166	46.0
610.45300	6.8
627.46069	5.5
628.46045	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	826.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
63.90382	1.2
65.03948	3.7
67.05508	2.7
69.03443	1.4
69.07074	1.1
69.25410	2.0
69.25813	6.5
70.06568	1.3
75.65348	1.4
77.03912	1.1
78.04729	1.3
79.05490	6.3
81.03416	1.6
81.07063	2.0
82.04196	1.1
85.02916	5.4
87.95796	1.2
89.04736	1.1
91.05480	7.2
93.03400	4.6
93.07064	1.8
95.04978	3.4
97.02942	1.7
97.06531	1.2
103.05475	19.7
105.07040	8.3
106.04186	7.5
107.04958	10.9
109.02925	1.5
111.04453	1.1
115.05473	4.9
117.07020	2.9
118.04188	4.8
119.04978	1.4
119.08551	2.0
121.06534	7.7
123.04455	2.6
124.05240	1.6
125.05995	3.8
127.03938	1.2
128.06230	1.5
129.07001	3.0
130.04137	2.1
131.04929	21.6
131.08575	3.4
133.06471	6.0
133.10167	1.2
135.04362	1.6
135.08076	2.2
137.05997	3.6
140.75552	1.0
141.06970	1.5
142.02609	1.5
144.05727	3.2
145.06456	7.8
146.03590	1.3
147.04443	1.6
148.05180	12.5
148.06126	1.3
149.05981	12.6
151.07532	1.7
153.05479	1.8
153.09106	3.9
156.05713	4.2
157.06525	1.6
158.07281	1.4
159.08049	5.8
161.05977	9.9
163.03944	4.0
163.07559	22.6
167.07028	31.4
173.05959	7.8
174.06792	3.0
175.07477	1.3
176.04675	2.1
177.05460	9.5
179.07043	1.5
181.04962	36.4
181.08517	7.1
182.05344	1.4
187.07494	6.9
189.09096	4.6
190.06233	3.6
191.07040	100.0
192.07426	4.1
193.08624	9.1
195.06445	1.9
198.06761	1.7
201.09126	3.1
201.16412	2.5
205.08612	11.8
209.08095	34.6
216.07965	1.7
217.08592	10.1
219.08134	2.6
219.10155	3.7
221.06068	1.5
229.08669	1.4
231.08170	1.7
231.10185	1.6
233.09756	2.1
235.09677	2.8
236.08394	1.7
239.06860	1.4
247.07507	4.4
247.09720	8.6
248.08345	5.1
249.08965	1.9
249.11244	12.7
251.07091	1.4
251.10562	1.2
261.09000	1.3
262.09912	2.1
263.07047	2.2
263.10727	2.9
264.07913	3.6
265.08359	1.8
265.10721	4.3
269.08142	2.3
271.06250	1.6
271.09601	1.5
275.07175	1.7
276.07870	2.7
277.08612	4.8
279.10236	4.0
281.08060	1.4
282.08804	1.9
290.09296	1.9
291.10135	3.6
291.15762	1.1
293.08072	3.2
293.11304	1.2
295.09680	2.6
307.09668	4.5
308.10388	2.4
309.11313	1.5
312.40637	1.2
315.08591	8.7
319.09717	2.3
322.08310	1.3
323.09439	1.3
323.12747	5.2
327.12424	2.2
330.10989	14.5
331.11771	2.4
337.10825	3.4
339.12311	3.4
343.11789	3.4
351.12244	6.0
352.13190	1.6
353.10132	3.1
355.11990	2.4
359.14883	5.6
368.12564	3.6
369.13239	5.9
370.13821	1.4
371.15048	5.9
383.14929	44.4
384.15030	2.8
385.16528	1.3
387.14340	9.3
401.15955	25.8
402.16327	1.5
419.16943	21.6
420.17288	2.7
427.17566	18.7
428.17545	1.4
439.17542	1.6
609.51514	1.4
843.60999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5665
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
65.03941	4.4
67.05505	100.0
69.03434	7.9
69.07069	28.3
71.05004	7.6
71.31705	4.8
75.41158	2.9
79.05070	3.8
79.05495	52.6
81.03415	9.6
81.06581	5.5
81.07059	99.3
82.07359	4.3
83.04980	9.2
83.08616	20.1
85.02876	4.6
85.06546	4.6
91.05489	48.1
93.07045	51.6
95.04961	9.0
95.08608	57.7
96.08897	3.6
97.02854	4.1
97.06506	8.0
97.10144	6.9
99.08099	3.3
100.89383	3.0
105.07045	38.9
107.08586	29.8
109.06519	4.5
109.10160	28.8
111.08085	6.5
117.07066	15.2
119.07840	4.8
119.08588	29.5
121.10162	17.5
122.10511	3.3
123.11703	10.6
129.07001	7.0
131.08533	24.6
133.10127	24.5
135.08136	3.3
135.11691	13.9
143.08594	3.2
145.10115	16.5
147.11662	13.4
149.13234	9.2
151.11053	3.3
157.10095	6.3
159.11673	8.5
161.13251	7.8
163.11191	4.8
173.09947	3.5
173.11752	4.9
173.13260	5.8
185.13248	4.1
227.12823	4.2
229.14291	9.9
255.15919	4.1
257.19009	8.0
269.17535	11.2
275.20099	15.9
309.20563	8.0
327.75775	3.2
335.25803	5.9
336.26361	4.0
337.23419	5.5
337.27377	81.9
338.27643	4.1
349.23843	17.3
379.43362	3.2
491.37222	7.2
517.38556	5.1
531.40149	27.9
545.41675	3.5
548.68524	4.3
571.43433	25.1
611.46472	18.8
629.47192	4.4
827.49103	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	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.2
62.37046	2.4
65.03937	7.6
67.05506	100.0
69.03429	9.8
69.07066	32.7
69.08073	5.4
69.08390	24.2
71.05012	4.0
71.08644	5.0
79.05059	4.6
79.05495	63.2
81.03419	13.6
81.07060	93.4
82.07391	2.8
83.04989	7.3
83.08615	17.9
83.90170	2.2
85.02901	7.9
85.06542	4.9
91.04961	4.5
91.05487	49.2
93.07052	48.3
94.07380	2.8
95.04948	8.5
95.08047	4.4
95.08610	62.7
97.02909	6.3
97.06531	7.6
97.10164	9.4
98.22609	3.9
99.04471	3.3
99.08103	6.4
105.07031	34.5
107.04955	6.6
107.08598	35.9
107.61491	2.3
109.02891	2.7
109.06519	7.6
109.10164	43.7
111.04462	3.0
111.08079	7.2
117.07027	13.4
119.08583	32.4
119.73152	2.6
121.10170	20.4
123.11711	8.3
125.09671	2.6
127.03896	3.7
129.06981	7.2
131.08539	12.7
133.10147	17.7
135.11688	10.9
137.09610	3.9
137.13287	2.7
141.07031	3.0
141.72066	2.1
143.08537	5.9
145.10124	19.6
147.11711	16.1
149.09637	6.5
149.13249	8.7
151.11160	3.6
157.10136	8.0
159.11729	11.8
160.12114	2.3
161.13274	8.9
163.11177	6.3
171.11751	3.4
173.11774	6.1
173.13287	6.8
174.14917	2.4
175.14796	3.2
185.13286	6.8
199.14857	2.9
219.17358	2.9
227.12750	6.7
229.14363	22.3
238.84006	2.7
239.17894	4.2
243.21054	2.3
245.22664	2.2
255.15627	2.7
257.19012	9.1
261.22192	4.6
267.15854	3.3
269.17487	12.2
275.19998	25.2
277.21680	6.5
309.20490	3.7
335.25842	20.7
336.26239	4.3
337.27332	49.1
338.27753	3.8
349.23679	20.8
351.25061	5.3
392.27505	4.3
399.47324	2.3
489.35815	10.7
491.37421	5.1
529.39044	15.7
531.40100	3.0
571.43604	4.8
611.46655	24.6
827.49152	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.8
64.19341	0.7
67.05508	7.7
69.03432	4.2
69.07088	2.3
69.13155	0.7
71.31818	0.8
73.02921	4.7
79.05505	6.7
81.03416	2.2
81.07054	6.6
83.08617	1.5
85.02912	5.7
86.04398	0.8
87.04463	0.8
89.03454	0.7
91.03976	2.3
91.05481	4.0
93.07045	5.3
95.08620	4.5
97.02884	5.2
97.10157	0.9
98.56129	0.7
101.02406	2.4
105.07056	2.0
107.08582	3.7
109.02881	1.1
109.10195	2.5
119.08622	2.2
121.10179	1.8
127.03923	1.2
131.08595	1.5
133.10216	1.0
145.10155	1.2
147.11697	1.3
203.05360	0.7
223.13281	0.8
227.12750	1.0
243.08514	2.5
331.19125	1.8
344.48395	0.8
519.29352	9.0
520.29315	1.0
549.26398	3.5
587.48804	0.8
665.53876	0.9
667.71710	0.8
763.75812	0.8
827.49115	100.0
828.49481	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	828.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86662	1.3
60.82380	1.2
61.02949	1.8
62.88287	1.1
67.05508	8.6
68.15866	1.1
69.03429	17.7
69.07082	3.7
69.18054	5.4
69.18473	3.6
70.06603	1.8
71.01379	2.1
71.04602	1.8
71.04997	36.6
73.02930	8.7
75.04487	2.3
79.05512	3.3
81.03436	4.0
81.07075	6.2
83.04994	10.6
84.08145	1.9
85.02911	65.4
85.06558	1.5
86.09720	1.4
86.20337	1.2
91.05484	7.0
93.07056	9.8
93.67792	1.2
95.04991	4.4
95.08615	45.3
97.02886	17.5
97.06525	3.0
99.04488	5.7
105.07046	11.0
107.08611	11.8
109.06523	2.3
109.10161	8.6
111.04433	13.6
111.08080	1.8
115.03941	9.6
117.05550	2.0
117.07041	3.5
119.08589	16.1
121.06479	6.0
121.10130	8.6
123.08124	1.6
123.11665	1.8
125.06020	1.9
127.03938	3.6
128.06186	1.2
129.05484	16.6
131.08548	6.4
133.06523	2.2
133.10132	8.6
135.08080	3.8
135.11694	4.1
137.06041	1.6
137.09613	11.7
139.03935	2.7
140.97125	1.2
143.08588	4.2
144.10181	1.5
145.04987	3.3
145.10152	9.1
147.06578	6.7
147.07982	8.1
147.11667	5.8
149.09634	2.7
149.13298	2.1
155.08589	1.7
157.10167	6.5
159.08063	2.8
159.11674	6.0
161.09666	6.5
161.13269	2.7
163.11249	2.0
164.09206	1.6
165.09135	1.3
169.10165	4.0
171.11700	5.5
173.09694	1.4
173.13304	6.9
175.11208	3.3
175.14908	3.0
177.12787	3.8
182.10889	1.6
183.11728	2.4
185.09778	1.5
185.13315	3.4
187.11156	2.5
187.14827	5.7
189.12737	6.0
189.16435	1.6
191.14340	7.7
195.11671	1.9
197.13318	1.7
199.11230	2.5
199.14865	4.1
201.12764	3.7
201.16397	2.3
203.14322	48.0
204.14618	2.5
205.12350	1.8
205.15891	4.8
211.14865	2.1
215.14371	5.0
217.15858	8.1
225.07610	3.6
227.14455	1.4
229.15895	6.6
231.17439	1.8
237.16393	1.5
241.15866	2.8
243.08749	3.4
243.17485	2.0
253.19394	1.2
255.17459	2.7
257.18994	2.5
261.09711	1.9
279.10715	1.2
301.17978	1.8
323.23383	1.4
327.48544	1.4
357.20746	2.2
387.26727	1.8
389.28351	1.8
405.27960	3.2
407.29611	3.7
409.30966	16.6
410.31177	1.3
415.25940	1.5
417.27798	1.7
421.27380	3.0
423.28955	34.2
424.29190	3.2
433.27209	2.4
435.28961	3.3
441.30249	2.2
451.28207	7.8
453.30054	29.0
454.30310	2.2
467.28027	11.0
471.31070	37.4
472.31265	3.8
475.21063	1.5
479.27670	2.8
497.29129	13.5
515.30054	100.0
516.30524	12.5
533.31152	5.9
599.30884	1.8
604.08081	1.5
629.32642	1.7
647.34039	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	829.421
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.7
66.67155	1.5
67.05514	13.3
69.03426	11.1
69.07075	6.0
69.22514	10.2
73.02910	10.3
77.74065	1.4
79.05486	9.2
79.24368	1.5
81.03416	3.0
81.07059	22.0
83.08643	3.1
85.02914	7.8
85.06586	1.9
91.05482	12.3
92.35445	1.6
93.07043	23.2
95.01334	4.8
95.04945	7.8
95.08607	47.6
97.02903	5.9
97.06547	4.4
98.23409	2.6
99.04472	2.3
102.68393	1.5
105.07027	27.4
105.07670	2.4
106.14751	1.6
107.08598	23.6
109.06528	6.0
109.10170	17.4
111.08059	2.0
113.02379	1.6
115.03947	2.5
117.07029	6.6
119.08575	47.9
121.06512	4.2
121.10157	19.5
123.08086	4.7
123.11726	3.4
129.07031	4.2
131.08557	18.5
133.06494	3.3
133.10139	23.3
135.08041	4.0
135.11684	6.8
135.96927	1.4
137.09607	3.4
141.01845	8.0
141.06940	2.1
142.07767	4.0
143.08543	14.1
144.09370	1.5
145.10112	37.7
147.08054	7.7
147.11697	15.9
149.09648	5.5
149.12169	1.8
149.13280	5.6
151.11122	1.6
154.98529	1.4
155.08540	4.2
156.09344	2.7
157.10123	14.1
158.10785	1.6
159.08058	2.1
159.11685	20.8
161.09671	4.4
161.13252	17.1
163.07597	2.8
163.11205	1.9
163.14809	3.5
165.09134	1.6
169.10156	3.9
170.11008	1.9
171.11646	10.2
173.09641	2.4
173.13248	17.1
175.11266	2.8
175.14793	14.8
177.12808	1.6
177.16408	4.3
181.05002	2.2
183.11656	4.4
185.13214	10.5
187.11212	2.5
187.14816	44.6
189.12785	6.9
189.16397	10.6
191.14307	6.5
195.11732	2.0
197.13280	7.0
199.14845	12.5
201.16382	17.3
203.14310	38.4
203.18076	2.3
205.15840	11.3
209.13226	1.7
211.14897	5.6
213.16399	12.2
215.14311	4.6
215.17928	2.8
217.15862	7.9
219.17442	3.7
221.13220	1.6
221.15518	1.8
223.14870	1.8
225.16414	3.5
227.14305	2.7
227.17899	4.6
229.15895	6.7
231.17455	4.8
233.15381	3.3
237.16368	2.4
239.18051	2.2
241.15910	1.6
241.19533	2.0
245.15306	2.7
245.18971	3.3
247.16925	2.5
253.19589	2.7
259.16824	2.1
267.21225	1.7
391.30188	3.6
403.29849	7.5
405.31564	3.3
419.29306	2.1
421.30923	9.6
423.32391	5.4
431.29349	4.1
437.30466	3.8
439.32010	6.3
449.30365	11.7
455.31555	95.5
456.32040	11.1
467.31503	22.8
485.32617	100.0
486.33017	13.4
496.33963	2.7
503.33646	64.1
504.33997	9.2
521.34839	9.1
587.35608	9.2
617.36877	7.3
618.37207	2.0
635.37250	3.8
643.34625	5.0
679.36462	2.4
829.30780	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	829.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.9
67.05514	7.7
69.03422	7.1
69.07069	6.8
69.36443	9.5
70.06576	2.0
73.02919	12.6
79.05499	6.0
81.07059	17.4
81.19749	1.5
83.08616	2.6
85.02914	10.4
86.09719	1.9
91.05489	11.2
93.07041	13.7
95.04968	2.2
95.08044	2.9
95.08612	35.1
97.02892	10.3
97.06522	2.3
105.07030	21.4
107.08593	24.2
109.06523	2.6
109.10155	11.6
111.08056	2.1
115.03918	3.7
115.05506	2.2
117.07028	5.4
117.92282	1.6
119.08580	36.0
120.08112	1.9
121.06516	6.1
121.10154	10.0
123.11707	4.4
127.03924	4.1
127.07688	1.6
127.41001	1.5
128.06212	2.0
129.06998	4.9
131.04865	2.1
131.08568	22.5
133.06506	1.7
133.10147	18.2
135.08063	6.0
135.11710	7.7
137.05988	4.0
137.09628	4.5
141.07030	1.7
142.07724	2.3
143.08580	14.2
145.10129	38.1
147.08047	7.4
147.11697	11.6
149.05942	2.7
149.09619	2.5
149.13229	4.8
151.07497	3.2
155.08522	4.2
156.09300	2.0
157.10118	13.6
159.08009	4.0
159.11693	17.3
161.09602	5.8
161.13245	7.5
163.07475	1.9
163.11215	2.2
163.14870	6.1
167.07002	2.0
169.10190	5.9
170.10776	1.8
171.11714	13.5
173.09610	3.3
173.13252	16.4
175.07634	3.3
175.11203	3.5
175.14792	9.9
177.12770	3.3
177.16382	3.3
179.14333	2.2
181.10085	1.9
183.11710	8.8
184.32838	1.7
185.13268	10.0
187.14828	63.5
188.15146	3.7
189.12735	5.3
189.16364	9.9
191.14314	4.9
195.11691	2.8
197.13231	5.6
199.14812	15.4
200.15204	2.1
201.12726	4.5
201.16400	17.7
203.14305	44.4
203.17894	1.5
203.81133	1.6
204.14691	2.5
205.04730	3.2
205.12312	1.8
205.15874	9.9
207.11794	1.7
207.13701	1.5
209.13266	2.5
211.14836	4.8
213.12741	3.7
213.16397	15.5
215.14316	4.4
215.17917	3.8
217.12383	2.1
217.15926	8.1
219.17474	2.4
223.14728	2.2
225.16396	4.9
227.14410	2.0
227.17976	5.0
229.12242	2.0
229.15947	3.0
231.13754	3.9
231.17471	3.1
233.15421	2.8
237.16391	2.9
239.18022	3.3
241.19563	3.4
243.13907	1.6
245.15352	2.6
249.14738	1.8
251.18028	2.4
253.19472	4.1
257.18762	2.4
261.14774	1.7
265.19394	2.0
309.25739	6.2
325.25250	3.2
353.24600	2.6
371.25952	3.1
374.14838	1.7
389.28226	4.2
391.30011	4.6
393.30194	1.6
405.27737	3.0
407.29398	6.4
417.27875	6.0
419.29739	2.8
423.28610	2.4
425.26593	2.1
430.22394	1.6
435.29053	12.2
437.30402	4.4
451.28369	6.2
453.30148	13.5
454.54932	2.0
455.31570	31.9
456.31793	5.5
463.28226	4.6
469.29431	43.5
470.29568	3.7
481.29544	9.9
487.30688	5.3
487.77319	1.7
499.30624	21.7
500.30991	2.6
517.31592	100.0
518.32031	13.4
535.32190	2.4
544.41919	1.8
587.35602	4.0
601.33447	9.6
631.34558	5.7
649.35809	9.5
829.30286	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	1.2
61.02923	3.0
65.03928	1.7
67.05506	11.6
69.03425	7.5
69.07066	7.6
69.15452	7.3
69.68577	0.9
71.04987	2.3
73.02914	16.4
79.05488	6.9
81.03407	2.2
81.07056	15.0
83.04979	2.6
83.08641	1.6
85.02903	9.9
91.05470	11.7
93.07045	19.8
95.04978	2.7
95.08607	34.1
97.02888	9.5
97.06550	1.9
97.10172	1.3
103.05495	1.8
105.07032	22.4
107.04958	1.1
107.08591	21.6
109.02871	1.8
109.06532	3.2
109.10150	12.7
111.08081	1.3
115.03951	3.4
116.06223	1.0
117.07027	6.4
119.05005	1.6
119.08578	38.8
121.06525	3.4
121.10147	10.9
123.08092	3.1
123.11707	4.1
125.05998	2.9
125.09666	1.1
127.03926	3.5
127.07534	0.9
128.06178	1.3
129.07014	4.7
131.04912	1.3
131.08565	21.3
133.05002	2.0
133.06541	2.5
133.10124	16.7
135.08086	5.5
135.11674	9.0
135.54826	0.9
137.06015	1.4
137.09586	5.0
137.13264	2.0
141.07016	1.5
142.07793	3.4
143.08556	13.2
144.09367	0.9
145.05003	1.3
145.06570	1.8
145.10123	35.0
146.10530	1.1
147.08060	8.2
147.11685	11.6
149.05946	1.4
149.09683	2.3
149.13257	5.4
151.07536	2.8
155.07324	0.9
155.08516	5.1
156.09290	3.4
157.10120	14.9
158.10892	1.3
159.08037	3.1
159.11679	15.7
160.12457	0.9
161.06018	1.1
161.09618	5.8
161.13292	8.8
163.07581	2.3
163.11209	1.5
163.14819	6.4
165.12726	0.9
168.09331	1.9
169.10110	5.2
170.10927	2.8
171.08199	1.1
171.11673	9.5
172.12416	1.1
173.09657	4.7
173.13248	15.7
175.07684	1.3
175.11255	3.3
175.14839	9.2
177.07559	0.9
177.09143	1.7
177.12799	3.0
177.16438	4.0
179.14359	1.1
181.04962	1.4
181.10155	1.9
182.11090	1.3
183.11729	6.8
185.09625	1.7
185.13252	14.8
187.07541	1.3
187.11243	2.8
187.14818	66.0
188.15195	2.5
189.12697	7.9
189.16394	8.2
191.14317	3.6
193.10222	1.2
193.12213	1.5
195.11716	2.1
197.08107	1.7
197.13242	5.3
199.11134	1.7
199.14818	12.7
201.12703	4.6
201.16373	14.7
203.10591	1.4
203.14314	42.9
203.17990	2.6
204.14777	2.1
205.12274	2.5
205.15884	9.0
207.11739	1.8
207.13698	1.0
209.13295	3.6
211.14845	5.1
213.12839	2.6
213.16348	13.8
213.18219	1.1
214.16843	1.2
215.14285	5.7
215.17874	4.4
217.12318	3.1
217.15820	9.4
219.13860	2.7
219.17496	1.3
223.14888	1.6
225.16446	3.7
227.14272	1.9
227.17961	4.8
229.12238	1.6
229.15915	4.7
231.13829	4.8
231.17487	3.5
233.15387	3.3
237.16426	3.0
239.17926	4.0
241.15916	1.9
241.19540	3.0
243.13857	1.8
243.17238	1.6
245.15410	3.7
247.17027	1.6
251.18066	2.2
253.19493	1.8
255.17493	1.3
259.16983	1.3
261.14691	1.6
267.21109	1.5
279.21033	1.4
281.18594	1.1
293.38840	1.0
307.24225	2.9
309.25793	9.2
325.25214	2.4
353.24643	2.9
371.26074	3.5
379.26605	1.7
387.26700	1.6
389.28406	5.1
391.30142	4.9
397.27692	1.4
399.28384	1.0
405.28149	4.9
407.29620	7.9
409.30920	2.0
417.27826	4.7
419.29422	2.6
423.28809	2.2
425.30609	2.1
433.27213	1.4
435.28906	14.2
436.29514	1.2
437.30591	6.7
451.28363	4.8
453.29984	12.6
455.31540	31.3
456.31931	3.0
463.28528	5.2
469.29477	39.4
469.36172	2.0
470.30023	6.1
471.31110	1.2
481.29443	11.8
482.29489	1.1
485.32813	2.0
487.30637	4.6
499.30554	25.0
500.30777	3.2
517.31586	100.0
518.31830	13.8
535.32654	1.3
587.35870	7.0
588.36432	1.5
601.33606	10.0
602.33868	1.3
631.34637	7.3
640.90021	1.0
649.35950	13.2
650.35754	1.6
829.25226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.457
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	12.9
69.03436	12.8
69.07081	14.8
70.06593	19.9
71.05000	15.5
79.05498	10.8
81.07055	28.5
85.02911	63.1
91.05479	19.1
93.07037	21.9
95.04972	11.7
95.08604	57.0
97.02901	10.4
105.07031	37.2
107.08627	46.8
107.55298	9.6
109.10162	30.3
117.07008	14.6
119.08567	75.7
121.10129	48.1
123.11723	12.9
127.03918	14.9
129.06943	11.1
131.08563	27.4
133.10152	54.5
135.11694	21.7
137.05965	15.2
143.08571	18.8
145.04985	12.7
145.10097	56.6
147.11681	27.9
157.10139	27.5
159.11699	48.5
161.06015	14.2
161.13251	23.0
169.10158	11.1
170.10982	10.2
171.11650	23.1
173.13248	35.7
175.14873	25.4
177.16321	14.4
183.11656	29.1
185.13261	41.7
187.14859	84.9
189.16400	33.7
199.14780	46.4
201.16403	100.0
202.16689	11.4
203.14294	25.7
203.18025	22.0
205.15907	37.8
213.16484	18.4
215.17894	16.5
217.15872	14.2
245.15356	13.0
291.10007	11.3
292.10486	11.0
324.13156	16.2
331.77533	10.6
385.07700	10.8
402.06778	8.9
405.31528	29.0
407.33142	18.8
423.32404	15.2
425.34082	10.6
433.30869	25.0
435.93555	9.9
451.32208	57.6
452.32526	11.6
455.31326	16.9
469.33032	46.9
485.32687	21.6
487.34280	12.9
631.38477	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	829.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.9
65.03938	1.2
67.05502	9.5
69.03426	8.3
69.07069	6.8
71.04991	25.5
73.02911	2.8
75.04481	3.5
77.03902	0.8
77.78030	0.7
78.88860	0.7
79.05493	8.8
81.03416	2.9
81.07058	16.7
83.04981	8.6
83.08616	2.6
85.02905	54.8
85.06543	1.6
87.04458	1.5
91.05477	12.3
93.07043	19.6
94.90427	0.9
94.91690	0.7
95.04982	9.7
95.08606	41.5
97.02906	6.0
97.06535	2.8
98.23353	1.6
99.04450	2.9
103.05480	1.2
104.73556	0.8
105.07033	25.5
107.08599	20.1
109.02881	1.3
109.06499	3.9
109.10149	15.0
111.04440	6.9
111.08060	2.3
115.05444	1.7
117.07028	3.8
119.08579	46.8
120.08903	1.8
121.06519	5.2
121.10143	16.0
122.10452	1.1
123.08059	6.3
123.11697	4.0
127.03931	4.4
128.06207	1.8
129.05479	14.6
129.06981	4.6
130.76836	0.8
131.08568	21.5
133.06500	1.3
133.10126	20.1
135.08063	6.3
135.11714	7.3
137.06020	0.9
137.09634	3.2
139.07486	1.0
141.06960	1.3
142.07777	2.8
143.08578	13.2
144.09277	1.6
145.04970	2.2
145.10123	33.4
147.06551	9.6
147.08022	6.6
147.11684	12.0
149.09590	3.7
149.13248	5.5
151.11130	1.4
155.08571	3.5
156.09343	2.4
157.10141	15.2
158.10793	1.3
159.08040	2.1
159.11688	20.5
161.08463	1.1
161.09593	5.4
161.13280	10.8
163.07536	0.9
163.11168	1.6
163.14795	4.6
165.07744	0.9
165.12746	1.0
169.10094	6.4
170.10938	1.4
171.11702	8.2
173.09651	2.3
173.13260	14.8
175.11206	3.2
175.14821	13.1
177.09251	0.9
177.12711	3.1
177.16389	5.5
179.08472	0.8
179.14301	1.8
181.10097	1.9
182.10893	1.6
183.11690	5.4
184.12358	0.9
185.09644	1.0
185.13254	11.1
187.14824	45.2
188.15182	1.8
189.12776	10.6
189.14470	1.0
189.14789	0.9
189.16377	8.3
191.14349	4.6
193.16011	1.3
195.11644	1.5
197.13239	5.7
199.14807	12.7
201.12697	2.5
201.16382	17.7
202.16789	1.2
203.14323	35.2
203.17911	4.2
204.14664	1.7
205.04730	3.2
205.15909	8.0
207.13780	1.0
209.13271	2.9
211.14842	5.2
213.12863	1.1
213.16367	11.2
215.14345	7.9
215.17986	2.6
217.15881	9.6
218.05283	0.8
219.06313	1.2
219.17479	2.6
221.15433	2.7
223.14885	1.3
225.07663	1.1
225.16400	2.9
227.14398	1.5
227.17966	4.2
229.15831	7.7
229.19423	1.6
231.17523	5.7
233.15370	3.2
235.16815	1.1
237.16380	2.1
239.17995	2.0
241.19461	1.8
243.17451	1.4
245.15430	1.5
247.16972	2.9
251.18057	1.2
253.19475	2.2
255.08630	1.0
255.21141	1.6
259.16910	2.0
267.21048	1.0
279.21130	1.2
281.22742	1.2
307.24219	0.9
309.11810	3.8
309.22223	1.2
325.25351	1.4
371.25964	1.1
373.28934	2.2
375.30273	1.1
381.11356	2.3
385.28873	1.8
387.30328	0.9
390.54330	0.9
391.29974	5.9
393.31366	1.8
395.13220	2.3
403.30038	7.6
404.30530	1.2
405.31592	4.4
409.30984	2.4
419.29364	2.0
421.31024	9.8
422.31570	0.9
423.32547	3.3
425.12137	1.4
431.29419	2.9
437.30362	4.7
439.32092	7.1
440.14456	2.4
449.30533	9.7
450.30811	1.6
455.31561	80.3
456.31763	8.1
457.33264	2.3
467.31525	18.3
468.31561	1.9
485.32623	100.0
486.32941	11.2
496.34152	1.0
503.33667	67.6
504.33960	8.1
514.91376	1.0
521.34637	10.0
522.35004	1.0
617.36969	4.6
621.70380	1.0
647.37988	6.1
665.38232	1.0
667.23334	1.7
667.40710	2.0
829.28882	19.1
830.29980	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	829.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.4
65.03918	3.8
67.05505	20.5
69.03431	16.6
69.07072	15.0
70.06577	6.0
71.04983	8.5
71.31909	2.7
73.02892	2.3
79.05489	10.6
81.03416	6.3
81.07056	33.7
83.04969	6.3
83.08607	6.2
85.02908	85.9
86.09718	2.7
91.05488	19.5
93.07053	32.4
95.04967	6.2
95.08611	100.0
96.08977	2.5
97.02896	20.4
97.06512	4.7
97.10153	3.5
98.68282	2.1
99.04433	4.9
105.07036	45.3
107.08593	59.0
109.02871	8.0
109.06512	5.7
109.10156	42.7
111.04449	2.3
111.08079	4.6
115.05428	3.3
117.07030	6.3
119.08581	83.3
121.06538	5.2
121.09301	2.8
121.10145	39.2
123.08027	6.4
123.11665	11.5
125.09635	9.7
127.03919	17.3
128.06259	3.5
129.05521	2.5
129.07008	6.1
131.08569	38.2
133.06496	3.2
133.10135	39.2
133.33498	2.2
134.10481	2.3
135.08060	6.6
135.11708	18.9
137.05988	4.5
137.09612	10.1
137.13252	3.8
139.07579	2.8
140.33157	2.3
141.06888	3.7
142.07780	2.8
143.08531	16.5
145.04974	18.8
145.10126	63.8
146.10445	3.0
147.06497	2.9
147.08020	10.0
147.11693	24.2
149.09573	6.9
149.13295	11.5
155.08481	3.6
156.09322	3.2
157.10127	20.3
158.10899	4.1
159.08078	2.3
159.11700	42.9
160.12090	2.1
161.09628	8.8
161.13251	21.0
163.06044	6.6
163.11223	4.9
163.14839	13.9
167.07040	4.3
169.10112	4.9
170.10973	3.8
171.11731	14.5
173.13268	42.7
175.11188	2.6
175.14819	27.9
176.15167	3.2
177.12770	5.1
177.16417	14.5
181.04852	3.1
183.11711	9.0
184.12396	2.8
185.13269	18.8
187.14832	83.7
188.15198	5.9
189.09175	2.3
189.12738	8.8
189.16341	20.3
191.14340	11.9
191.17940	3.7
193.15858	5.2
195.11761	2.6
197.13261	9.5
199.13084	3.9
199.14804	34.4
201.12975	2.5
201.16380	47.0
202.16606	3.4
203.14314	97.8
203.17888	12.8
204.14670	5.4
205.15889	22.7
205.19168	2.3
207.17430	6.2
209.13200	3.7
211.14786	6.3
213.16376	20.3
215.14340	7.0
215.18005	12.4
217.15849	13.1
217.19507	8.3
219.13725	3.5
219.17468	13.0
221.15303	5.2
223.14856	3.6
225.16418	5.1
227.14311	3.0
227.17943	9.2
229.15810	6.7
229.19466	2.3
231.17453	11.9
233.15332	7.3
233.19051	6.2
239.18074	2.8
241.19531	3.4
245.15280	3.4
245.18936	2.5
247.16959	3.7
251.17957	6.0
253.19527	3.6
255.21194	3.7
257.19055	3.3
259.20398	2.4
267.21005	3.2
269.22574	3.5
277.17957	2.9
279.21191	3.5
281.22784	4.4
283.20532	3.3
297.18542	3.0
297.22089	4.5
307.24033	3.2
325.21542	3.6
327.23019	2.5
339.22693	2.2
343.22678	8.9
357.23984	2.5
375.30478	5.9
387.30237	5.9
389.31952	4.2
393.31436	4.3
405.31516	22.3
406.32135	2.4
407.33398	12.4
421.31009	12.9
423.32535	25.0
425.34241	10.3
433.30957	14.2
439.32092	14.4
441.33517	9.7
449.30624	2.8
451.32080	48.0
452.32358	6.2
455.31616	15.1
457.33118	2.8
469.33188	54.9
470.33566	3.7
485.32614	23.4
487.34277	41.8
488.34518	3.6
496.33408	2.4
503.33823	12.3
505.35306	3.5
517.31049	2.9
548.20221	2.5
631.38208	2.7
797.26215	11.1
829.28821	14.8
830.28851	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	829.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.5
67.05508	12.5
69.03426	8.1
69.07070	5.5
70.06602	1.6
70.72061	1.8
70.87359	0.8
71.01347	0.9
71.04995	20.4
73.02911	3.1
75.04490	3.5
79.05495	6.8
81.03424	2.5
81.07059	15.5
83.04984	9.1
83.08632	2.6
85.02908	51.5
91.05495	10.7
93.07047	15.4
95.04979	8.9
95.08611	41.3
97.02908	3.5
97.06551	3.3
99.04462	2.5
103.05470	1.2
105.07034	22.6
107.08594	19.4
109.02878	1.3
109.06529	3.7
109.10155	13.2
111.04431	4.6
111.08092	3.7
111.57699	1.0
113.05986	1.1
115.05531	1.2
117.07010	4.5
119.08579	42.7
120.08928	1.2
121.06504	5.4
121.10149	15.3
123.08057	5.2
123.11713	3.5
127.03931	4.0
128.06258	1.0
129.05482	14.1
129.07022	4.1
131.08572	18.0
133.06488	2.4
133.10121	17.0
135.08087	4.1
135.11674	7.8
137.06013	1.5
137.09599	5.1
137.13274	1.4
142.07843	2.2
143.08575	12.0
144.09328	1.2
145.04999	3.4
145.10120	32.6
146.10510	1.2
147.06549	7.7
147.07994	5.9
147.11670	10.9
149.09648	3.6
149.13254	5.1
149.78009	1.0
151.11188	1.1
153.09129	0.9
155.08592	3.0
156.09343	2.5
157.10133	13.4
159.08067	2.6
159.11696	15.4
161.05988	1.1
161.09645	4.2
161.13252	11.1
162.13776	0.9
163.06123	1.2
163.07610	1.3
163.11250	1.5
163.14799	4.5
169.10167	4.8
170.10948	1.8
171.11726	8.2
172.12358	1.3
173.09645	1.5
173.13257	14.4
175.11217	2.3
175.14809	9.3
177.12808	1.1
177.16422	2.8
179.14351	1.6
181.04977	2.0
181.10147	1.0
182.10936	1.5
183.11659	4.4
185.13242	9.5
186.13803	1.1
187.07484	1.1
187.11295	1.3
187.14821	38.9
188.15215	1.9
189.12708	6.5
189.16360	7.9
191.14319	4.8
191.17973	1.0
195.11754	2.0
197.13281	5.8
198.13802	1.0
199.14824	9.6
201.12863	1.9
201.16409	13.4
203.14316	31.3
203.17969	1.6
204.14619	1.1
205.15872	8.4
209.13370	1.7
211.14809	3.6
213.12889	2.0
213.16370	10.9
215.14296	6.7
215.17973	3.5
217.15854	6.7
219.13849	1.1
219.17497	2.5
221.13260	1.6
221.15320	1.6
223.14896	1.9
225.16353	3.2
227.17995	3.1
229.15854	5.0
229.19495	1.2
231.17459	5.6
233.15359	2.7
237.16391	1.4
239.18002	2.4
243.17516	1.6
245.10510	1.2
245.15350	1.5
247.16933	1.8
253.19565	2.9
255.08760	1.0
263.18109	1.1
270.75754	1.1
271.98666	1.0
307.24274	1.1
309.11716	3.1
343.97131	1.2
371.25708	1.1
387.30347	1.2
391.30106	2.6
393.31668	1.8
403.30017	4.8
405.31525	3.7
419.29276	1.4
421.31091	8.2
423.32593	5.3
431.29535	3.0
437.30392	3.7
439.32166	3.1
441.33844	1.3
449.30563	8.0
455.31564	85.5
456.31979	6.0
467.31516	15.9
485.32629	100.0
486.32941	10.9
487.34238	1.2
496.33749	1.2
503.33649	63.9
504.34348	5.3
521.34784	11.7
522.34845	1.9
601.37299	2.0
612.53973	1.0
627.04572	1.0
631.38092	1.7
682.73999	1.1
758.46057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.4
65.03918	3.8
67.05505	20.5
69.03431	16.6
69.07072	15.0
70.06577	6.0
71.04983	8.5
71.31909	2.7
73.02892	2.3
79.05489	10.6
81.03416	6.3
81.07056	33.7
83.04969	6.3
83.08607	6.2
85.02908	85.9
86.09718	2.7
91.05488	19.5
93.07053	32.4
95.04967	6.2
95.08611	100.0
96.08977	2.5
97.02896	20.4
97.06512	4.7
97.10153	3.5
98.68282	2.1
99.04433	4.9
105.07036	45.3
107.08593	59.0
109.02871	8.0
109.06512	5.7
109.10156	42.7
111.04449	2.3
111.08079	4.6
115.05428	3.3
117.07030	6.3
119.08581	83.3
121.06538	5.2
121.09301	2.8
121.10145	39.2
123.08027	6.4
123.11665	11.5
125.09635	9.7
127.03919	17.3
128.06259	3.5
129.05521	2.5
129.07008	6.1
131.08569	38.2
133.06496	3.2
133.10135	39.2
133.33498	2.2
134.10481	2.3
135.08060	6.6
135.11708	18.9
137.05988	4.5
137.09612	10.1
137.13252	3.8
139.07579	2.8
140.33157	2.3
141.06888	3.7
142.07780	2.8
143.08531	16.5
145.04974	18.8
145.10126	63.8
146.10445	3.0
147.06497	2.9
147.08020	10.0
147.11693	24.2
149.09573	6.9
149.13295	11.5
155.08481	3.6
156.09322	3.2
157.10127	20.3
158.10899	4.1
159.08078	2.3
159.11700	42.9
160.12090	2.1
161.09628	8.8
161.13251	21.0
163.06044	6.6
163.11223	4.9
163.14839	13.9
167.07040	4.3
169.10112	4.9
170.10973	3.8
171.11731	14.5
173.13268	42.7
175.11188	2.6
175.14819	27.9
176.15167	3.2
177.12770	5.1
177.16417	14.5
181.04852	3.1
183.11711	9.0
184.12396	2.8
185.13269	18.8
187.14832	83.7
188.15198	5.9
189.09175	2.3
189.12738	8.8
189.16341	20.3
191.14340	11.9
191.17940	3.7
193.15858	5.2
195.11761	2.6
197.13261	9.5
199.13084	3.9
199.14804	34.4
201.12975	2.5
201.16380	47.0
202.16606	3.4
203.14314	97.8
203.17888	12.8
204.14670	5.4
205.15889	22.7
205.19168	2.3
207.17430	6.2
209.13200	3.7
211.14786	6.3
213.16376	20.3
215.14340	7.0
215.18005	12.4
217.15849	13.1
217.19507	8.3
219.13725	3.5
219.17468	13.0
221.15303	5.2
223.14856	3.6
225.16418	5.1
227.14311	3.0
227.17943	9.2
229.15810	6.7
229.19466	2.3
231.17453	11.9
233.15332	7.3
233.19051	6.2
239.18074	2.8
241.19531	3.4
245.15280	3.4
245.18936	2.5
247.16959	3.7
251.17957	6.0
253.19527	3.6
255.21194	3.7
257.19055	3.3
259.20398	2.4
267.21005	3.2
269.22574	3.5
277.17957	2.9
279.21191	3.5
281.22784	4.4
283.20532	3.3
297.18542	3.0
297.22089	4.5
307.24033	3.2
325.21542	3.6
327.23019	2.5
339.22693	2.2
343.22678	8.9
357.23984	2.5
375.30478	5.9
387.30237	5.9
389.31952	4.2
393.31436	4.3
405.31516	22.3
406.32135	2.4
407.33398	12.4
421.31009	12.9
423.32535	25.0
425.34241	10.3
433.30957	14.2
439.32092	14.4
441.33517	9.7
449.30624	2.8
451.32080	48.0
452.32358	6.2
455.31616	15.1
457.33118	2.8
469.33188	54.9
470.33566	3.7
485.32614	23.4
487.34277	41.8
488.34518	3.6
496.33408	2.4
503.33823	12.3
505.35306	3.5
517.31049	2.9
548.20221	2.5
631.38208	2.7
797.26215	11.1
829.28821	14.8
830.28851	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	829.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82903	1.5
65.89179	1.4
67.02455	1.2
67.05509	4.2
68.68404	1.4
69.03437	1.4
69.07085	2.2
73.02926	3.0
79.05497	3.1
81.07052	3.6
93.07059	2.9
95.08606	3.0
97.02911	3.2
98.23444	3.1
107.86646	1.4
109.52877	1.4
119.08630	1.5
131.77803	1.5
161.76642	1.4
172.51743	1.3
226.52388	1.4
282.14392	1.7
519.29309	4.2
601.87292	1.5
644.09460	1.8
703.40198	2.8
743.43115	4.2
783.46228	5.6
811.49384	2.9
829.48816	100.0
830.49445	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	2.0
70.38006	1.4
71.32327	1.6
85.16022	1.4
93.07083	1.9
95.08637	2.1
105.07056	1.5
293.70743	1.5
294.12857	1.4
482.28687	1.6
535.27490	2.4
592.83661	2.0
829.48578	100.0
830.48993	15.5
831.02795	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32155	0.4
61.02932	5.8
65.03950	0.5
67.05511	5.9
67.44753	0.4
68.91669	0.4
69.03429	3.5
69.03735	0.4
69.07074	2.1
69.55568	0.4
71.01365	0.6
71.04973	0.5
73.02916	4.9
73.03258	0.5
79.05498	4.4
81.03427	1.6
81.07059	5.3
81.07450	0.4
83.04996	0.4
83.08649	0.8
85.02911	6.1
87.04453	0.5
91.03976	3.5
91.05479	2.7
93.07057	4.6
95.04981	1.1
95.08611	4.1
97.02888	4.8
97.10158	0.6
99.04488	0.9
101.02409	1.8
105.07018	2.1
107.08582	2.0
109.02960	0.4
109.10186	1.7
112.86185	0.4
117.06996	0.8
119.08636	1.3
121.10184	1.7
125.09620	0.4
127.03986	1.5
131.08640	0.9
133.10176	0.8
135.11732	1.0
145.10167	0.8
147.11711	0.6
171.77177	0.4
185.04263	1.0
215.42624	0.4
243.06342	0.5
243.08354	2.0
308.49670	0.4
333.20325	2.9
421.87729	0.4
475.84534	0.5
519.29333	11.3
520.29620	0.8
551.28430	2.8
829.50684	100.0
830.51007	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.1
66.56602	0.8
67.05500	7.3
69.03434	3.3
69.07071	2.1
69.61989	0.8
71.04967	0.8
71.32127	0.8
71.32507	0.9
73.02926	3.4
79.05482	4.9
80.39316	0.8
81.03424	2.1
81.07056	7.0
85.02907	5.0
91.03951	3.8
91.05491	2.6
93.07040	4.8
95.04961	1.0
95.08608	3.6
97.02904	4.7
101.02399	2.2
105.07038	1.9
107.08585	1.8
109.02927	0.8
109.10142	1.0
115.22605	0.8
121.10165	1.8
121.46125	0.8
127.03956	1.0
131.08588	1.4
147.11713	0.9
243.08463	1.3
252.76704	0.7
333.20511	2.3
342.34641	0.7
519.29297	7.4
551.28351	2.7
829.50659	100.0
830.50970	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.9
64.60844	0.4
67.05511	5.4
69.03433	2.4
69.07079	2.9
69.12945	2.8
71.01339	0.4
71.05011	0.4
73.02920	3.8
79.05499	4.1
81.03429	1.5
81.07066	5.9
83.04984	0.6
83.08646	0.6
85.02908	3.6
91.03964	2.7
91.05492	2.3
93.07056	3.9
95.08607	4.1
95.09158	0.4
97.02895	4.5
97.10191	0.7
98.22617	0.6
99.04500	0.5
101.02399	1.3
103.04010	0.4
105.07053	1.8
107.08591	1.9
109.02920	1.2
109.06535	0.4
109.10181	2.0
111.08064	0.4
115.03877	0.4
117.07064	0.5
119.08601	1.2
121.10191	1.5
123.11762	0.5
125.09681	0.7
127.03968	0.9
130.97154	0.3
131.08582	0.6
133.10182	1.1
135.11723	1.2
138.57625	0.3
145.10214	0.6
147.11723	1.1
149.13277	0.4
159.11732	0.4
185.04272	0.9
203.05444	0.7
203.10283	0.4
235.20682	0.4
243.08455	1.8
293.30875	0.3
319.59857	0.4
333.20404	5.6
369.15741	0.4
383.17484	0.3
389.23199	0.6
431.47379	0.4
507.70224	0.4
519.29364	5.1
520.29688	0.6
551.28265	6.0
552.28510	0.6
829.50671	100.0
830.51013	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14145	0.6
70.06581	1.0
75.44808	0.5
85.02910	0.6
91.53818	0.6
92.73483	0.6
105.77172	0.6
107.08551	0.6
125.03786	0.5
125.74915	0.5
130.60568	0.5
135.38368	0.6
136.90514	0.5
137.05986	0.9
140.80734	0.6
142.37117	0.5
155.23560	0.6
161.06017	0.7
163.07567	0.5
175.03743	1.1
176.04517	0.7
177.05350	0.8
203.03160	0.9
204.03951	0.8
205.04729	69.5
206.05081	2.7
218.05516	10.7
219.06238	0.8
230.05544	0.7
232.07036	9.6
233.07877	1.0
248.06535	0.7
249.07368	0.8
276.37903	0.7
325.36514	0.7
376.09076	0.6
393.09665	1.1
407.10907	0.8
408.11960	1.0
415.13596	6.0
421.12643	2.4
427.13315	0.7
429.15182	9.1
430.15903	1.0
486.47180	0.7
634.19952	4.6
635.20630	1.3
636.21582	0.9
801.26959	0.8
831.28308	100.0
832.28674	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	831.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80237	0.7
71.31538	0.7
73.89855	0.7
82.92952	0.8
85.02950	0.8
88.68284	0.6
119.08572	0.8
127.03954	0.7
137.06003	0.7
167.07109	1.7
175.03722	1.0
176.04407	0.9
203.03163	1.1
205.04720	70.1
206.05162	2.0
218.05490	10.4
232.07066	10.6
249.07437	1.3
393.09854	0.9
408.11728	1.1
415.13559	6.1
421.12769	2.3
427.13867	1.0
429.15149	8.9
454.10699	0.7
634.20349	4.8
635.22272	1.5
647.48328	0.8
760.74915	0.8
801.26331	1.1
831.28284	100.0
832.28693	15.6
832.43317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.2
61.02930	1.8
65.03935	3.8
67.01866	2.7
67.05506	16.2
69.03442	7.4
69.07067	20.1
70.52578	1.5
70.52911	2.8
71.04988	11.4
73.02895	1.3
77.03936	1.6
79.05487	26.1
81.03413	1.7
81.07056	66.4
83.01347	6.1
83.04978	30.8
83.08596	6.8
85.02900	20.4
85.06539	7.4
86.09676	1.4
87.04458	2.1
91.05482	20.6
93.07041	60.4
95.01328	29.3
95.04965	28.2
95.08603	28.3
97.02903	6.0
97.06528	41.8
99.04479	12.7
101.02421	1.5
101.06007	2.4
103.05471	3.1
105.04510	2.3
105.07028	63.6
107.04934	4.6
107.08591	39.2
108.08950	1.5
109.02843	1.6
109.06519	33.9
109.10169	7.6
111.00800	10.2
111.04455	1.7
111.08081	47.8
113.02380	12.4
113.06036	6.6
115.03898	2.9
115.05452	1.7
115.07568	2.6
117.07029	2.9
119.04942	3.3
119.06042	1.3
119.07774	2.4
119.08581	33.7
120.08881	1.6
121.05628	2.8
121.06506	55.4
121.10145	8.0
123.04431	3.8
123.08068	12.7
123.10819	1.3
123.11700	23.5
125.05994	16.9
127.03959	2.2
127.07556	12.6
128.06265	1.7
129.01845	10.6
129.07007	4.1
131.08556	8.0
133.06467	7.2
133.10141	33.2
135.04434	2.6
135.08061	25.8
135.11714	1.6
137.05981	7.7
137.09625	2.0
137.13289	2.5
139.07538	28.8
141.01828	46.5
141.05493	2.5
141.06972	1.6
142.07768	7.7
143.03404	6.5
143.07072	2.9
143.08527	8.0
145.10110	11.0
147.08101	7.3
147.11681	93.6
148.11983	3.8
149.09628	3.5
149.13284	9.0
151.07510	3.2
151.11168	17.1
153.09099	3.6
155.07095	1.4
156.09343	2.9
157.08607	6.2
157.10123	26.0
158.07317	1.7
158.10587	1.6
159.02901	3.8
159.06502	2.8
160.08821	2.3
161.04451	4.4
161.05879	3.1
161.09615	3.7
161.13274	10.8
163.11093	1.6
165.07050	1.5
165.11345	2.2
165.12752	47.1
169.12236	51.1
170.12596	2.6
171.02904	9.2
171.11694	16.2
173.09627	5.3
175.11185	100.0
176.11513	5.4
177.03943	10.8
181.10155	3.8
187.02383	2.0
189.03955	4.0
189.12749	40.3
193.12238	91.2
194.12601	4.5
199.11165	25.2
201.03940	91.7
202.04306	2.8
207.13814	10.4
211.13289	59.2
212.13646	3.1
217.10109	3.4
217.12224	64.6
218.12611	3.3
229.14322	3.5
231.04997	38.6
231.07333	1.4
232.05328	2.8
235.13274	42.9
236.13565	2.1
243.05305	1.4
253.14323	40.1
254.14703	2.2
271.15405	6.2
283.08011	1.9
297.09686	2.6
301.09052	2.9
311.11163	1.9
315.10629	3.2
317.08710	3.0
346.56073	1.4
351.14438	9.0
353.16034	1.5
363.09198	7.8
365.16150	2.6
369.15405	63.4
369.70602	1.5
370.15875	6.1
375.14203	6.1
381.15247	4.2
387.16492	23.2
393.15424	43.7
394.15674	5.5
399.16501	33.8
400.16675	2.3
411.16492	94.1
412.16922	10.0
417.17542	10.3
423.16495	15.8
429.17603	9.6
441.17593	17.5
581.18622	4.8
599.19647	43.7
600.19733	5.8
617.20923	19.6
618.20490	1.9
671.11261	2.2
780.72235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83300	0.5
70.72970	0.5
77.99633	0.4
95.61197	0.4
167.06996	0.9
175.03673	45.5
176.04091	1.7
178.23975	0.4
181.04987	1.0
182.20081	0.4
191.07172	0.7
203.03249	0.7
204.03979	1.1
205.04701	2.5
217.74480	0.4
269.18719	0.4
344.41003	0.4
396.11725	0.5
410.13611	0.6
421.12778	0.6
438.13156	1.2
439.13953	1.7
440.14685	1.6
441.15930	0.5
453.15045	3.7
467.16635	0.6
483.16510	0.5
526.82092	0.4
547.79376	0.5
596.53442	0.6
617.19702	0.8
621.19995	1.0
635.21008	0.9
636.22070	1.8
637.22540	1.3
801.27338	0.5
833.29846	100.0
834.30084	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03966	0.5
67.05492	0.8
69.03428	1.2
69.07081	1.3
71.31483	0.5
79.05492	1.1
81.07063	2.4
81.89561	0.4
83.04990	0.7
85.02887	3.3
91.05484	0.5
93.07057	1.3
95.04989	0.5
95.08598	2.2
97.02908	1.1
105.07057	0.9
107.08597	1.1
109.02893	0.9
109.10190	1.7
119.08568	0.9
121.10131	0.8
123.11721	0.6
125.13372	0.5
126.91546	0.5
127.03935	0.9
133.10139	0.8
136.07616	0.7
137.05988	0.9
144.28331	0.5
145.04938	0.9
145.10136	0.4
149.00455	0.5
149.76237	0.4
161.05978	0.9
161.13348	0.6
165.09113	0.6
167.07001	2.2
171.06607	0.8
175.03670	43.0
176.04201	1.1
181.04994	1.9
189.16449	0.6
191.06946	0.7
193.08614	1.0
204.04028	0.9
205.04904	0.9
207.17532	0.7
220.24551	0.5
271.06186	0.5
287.05643	1.2
293.28470	0.5
325.11325	0.5
357.13669	0.7
398.21854	0.7
399.21985	0.8
410.13193	0.9
417.15604	0.6
425.12643	0.6
438.13086	0.6
439.13629	1.7
440.14429	1.7
453.15298	3.6
454.15536	0.6
467.17316	0.6
483.16193	0.6
563.07959	0.9
593.19891	0.6
635.20923	0.6
636.21893	1.8
637.22253	1.0
649.22272	0.7
815.38043	1.5
833.29651	100.0
834.30133	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.9
67.05511	27.4
69.03445	16.2
69.07072	44.6
71.05000	4.8
71.08590	3.4
71.20499	2.5
79.05492	8.6
81.03404	6.7
81.07065	70.3
83.08618	29.0
85.02907	100.0
85.06546	7.5
87.04456	2.8
91.03946	3.0
91.05466	6.1
93.07034	15.4
95.08609	80.8
97.02905	22.5
97.10169	17.4
98.22639	8.6
99.04448	4.7
99.08093	3.9
103.05470	3.1
105.07043	4.3
107.08611	13.5
109.02884	10.4
109.10159	56.2
111.11719	18.0
113.09602	3.8
116.06107	3.2
121.10148	11.6
123.11732	26.4
124.12009	3.1
125.13273	14.0
127.03917	30.8
131.08562	2.8
135.11665	9.4
136.07364	2.5
137.05948	2.8
137.13263	24.4
139.14798	3.4
145.04970	49.8
145.58929	3.0
147.11708	4.1
149.13261	14.6
151.14883	15.8
155.14244	2.9
161.05893	2.5
161.13223	2.7
163.06024	26.7
163.14841	6.3
165.16422	7.5
169.15887	8.1
173.13106	2.6
177.16309	4.1
179.17995	5.4
181.04935	4.8
183.17488	3.0
191.17955	3.9
193.19511	4.1
207.06511	3.6
214.25769	3.3
228.99319	3.1
275.27353	11.5
281.28467	4.9
287.05505	33.0
293.28421	38.0
305.28314	4.3
311.29398	9.0
325.11441	19.6
580.19604	3.0
620.87952	3.0
800.05060	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	833.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	9.7
67.05510	20.3
69.03425	14.5
69.07076	43.6
69.59533	14.4
71.04999	3.1
71.08652	3.0
72.30698	2.7
73.02921	3.0
75.40475	2.7
79.05503	11.4
81.03397	6.4
81.07062	67.7
81.79373	2.7
83.08612	28.4
85.02913	100.0
85.06550	7.4
91.03956	6.0
91.05483	7.0
93.07049	16.5
95.08608	82.7
97.02906	26.6
97.06496	3.2
97.10165	21.1
98.22681	6.1
99.04440	3.2
99.08112	9.7
105.06998	4.2
107.08633	16.8
109.02885	10.8
109.10167	57.5
111.08140	5.4
111.11722	16.6
119.08571	5.9
121.10171	12.1
123.11707	35.2
125.13268	17.8
127.03919	27.0
131.04898	4.1
135.11700	8.4
137.05991	3.6
137.13257	23.3
139.14832	3.5
143.14378	5.6
145.04980	48.7
148.04144	3.3
149.13271	13.9
151.14793	16.3
153.01845	3.2
155.14359	4.8
159.11739	3.2
163.06035	28.6
163.11304	3.2
163.14847	4.7
165.16423	12.4
167.14322	5.1
169.15912	7.7
179.17958	5.2
193.19557	7.2
196.07001	2.9
207.21169	4.5
219.21202	3.6
225.69504	3.0
237.22214	3.4
249.25832	3.5
266.59763	3.1
275.27267	17.0
287.05533	31.6
288.05862	4.2
293.28360	49.6
311.29401	9.9
325.11276	26.4
401.30475	4.1
441.16660	4.3
565.66309	3.3
598.65045	3.3
773.80768	3.1
833.30652	5.1
834.30981	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	835.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	1.6
66.33733	1.0
69.03436	4.4
70.06597	1.4
70.07674	4.6
73.02938	1.3
81.03423	1.7
85.02921	7.5
91.05478	3.0
93.07039	2.3
94.06582	5.7
95.04962	1.2
96.08138	5.4
97.02911	3.5
97.83723	1.3
105.07048	1.4
108.08124	8.0
110.09682	8.9
114.63844	1.3
120.04538	1.6
120.08093	6.4
122.06025	12.6
122.09686	2.7
134.06075	2.1
136.07579	14.8
136.08507	1.4
137.05971	2.5
138.09157	13.8
148.07616	5.1
150.09172	3.8
152.07095	2.0
166.08640	22.8
166.10962	1.2
167.06978	1.7
175.03687	35.0
181.05031	1.5
189.05293	4.6
191.06979	1.2
205.04758	3.0
209.10844	2.7
221.10760	1.6
225.10306	3.3
226.10902	1.3
235.08733	4.9
236.09505	4.8
237.10269	19.6
238.10701	2.2
249.10243	20.2
250.10962	5.7
251.08333	1.7
251.11803	9.1
252.09132	1.7
253.09750	2.9
261.10361	3.3
263.08228	1.5
263.11859	1.7
264.09006	11.1
265.09753	11.4
266.10492	2.9
267.11169	6.0
277.09769	18.1
278.07745	1.2
278.10370	7.1
279.08118	2.7
279.11230	18.0
280.08832	1.4
280.12006	4.2
281.09366	5.4
281.12772	2.5
282.09973	2.0
283.10904	2.9
287.05585	1.9
291.07819	2.3
291.11121	2.5
292.08521	4.6
292.12024	1.4
293.09320	37.1
293.12918	10.3
294.09845	4.0
295.10880	5.1
297.12436	2.0
305.09244	12.8
306.10010	2.9
307.10730	18.2
309.08810	6.4
309.12445	6.2
311.10339	4.3
312.11111	2.8
313.11710	2.8
321.12216	1.8
323.10129	10.4
324.11020	3.3
325.12027	5.8
326.12701	2.0
327.13660	3.2
328.14392	1.5
333.08615	8.3
337.11993	3.9
338.12723	3.0
339.09793	2.0
339.13464	11.6
342.16107	1.5
351.09756	43.7
352.10406	3.4
353.11346	4.5
353.15152	3.2
354.12314	4.0
355.13110	3.6
365.11465	4.4
366.12128	15.0
366.15955	1.3
367.12604	2.8
368.14008	2.4
369.14566	2.8
370.11557	1.8
370.15701	2.0
371.12457	10.9
372.12970	1.6
382.11545	2.2
383.12268	21.5
383.16556	1.9
384.13068	3.2
384.17310	2.7
385.14029	9.1
386.14600	2.1
397.13858	8.1
398.14774	5.5
399.15744	3.8
410.14987	1.9
415.15558	1.5
418.17578	2.4
426.14169	2.1
428.16193	5.6
437.15903	1.5
438.14456	4.1
442.16959	1.7
446.16953	10.8
455.16690	13.2
456.15759	8.5
457.16229	1.6
458.17145	2.9
468.16037	1.4
476.18121	10.1
477.18326	1.7
478.19986	5.1
486.16672	4.2
488.18222	4.5
490.19751	2.6
518.19153	14.5
519.20050	9.0
520.20850	2.0
522.22223	1.6
536.20367	22.2
537.20691	2.6
550.21918	14.9
551.22644	9.3
552.22845	1.4
609.23700	6.5
623.25208	2.5
638.24084	2.3
640.25012	4.0
641.26080	28.7
642.26276	2.8
649.22137	2.0
662.23260	2.3
674.53271	1.6
680.24493	30.0
681.25214	23.1
682.25769	2.6
712.26971	3.3
713.27930	100.0
714.28174	16.1
835.31403	74.2
836.31805	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	835.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.6
75.37251	2.3
79.05499	10.3
80.04957	2.0
84.67132	2.2
87.90155	2.4
91.05499	10.3
93.07053	5.8
94.06586	9.2
95.00003	2.4
95.04942	2.4
95.07378	7.1
96.08164	12.3
103.05473	13.1
105.07021	34.5
107.04971	4.0
108.08132	15.8
110.09683	28.5
115.05470	10.1
118.04169	5.9
119.04945	4.2
120.08097	18.6
122.06030	4.7
124.07607	3.4
130.04179	4.4
131.04947	11.2
131.07547	2.5
133.06485	32.6
136.07603	10.2
137.05981	2.4
138.09149	27.2
138.39372	2.6
143.05989	2.9
145.06458	3.6
147.04373	3.6
148.07552	4.4
151.03922	6.9
161.05992	32.9
166.08633	27.6
167.07014	17.6
173.05942	4.8
175.03896	5.2
176.04764	4.6
181.04980	12.9
191.07060	31.4
193.08658	10.4
195.06569	3.3
201.05487	3.1
203.07066	5.0
207.06615	3.2
231.06564	10.8
233.08105	7.7
235.12274	3.7
237.10297	4.8
239.11819	7.9
249.10280	12.6
250.11098	8.0
251.11858	16.3
253.13527	3.3
261.10220	6.1
262.10831	3.2
263.11743	31.2
264.12381	7.3
265.09732	5.6
265.13422	6.0
267.11346	4.6
275.11835	5.4
277.09799	13.3
277.13324	2.9
278.10541	4.8
279.11371	15.5
280.11771	3.1
281.12845	7.1
283.10645	3.0
285.12384	6.5
289.09702	8.4
290.10260	3.3
291.11230	28.4
292.11905	15.9
293.12656	13.3
295.10843	7.6
297.12228	8.0
307.10724	11.6
308.11136	3.3
309.12326	9.5
319.10727	7.1
321.12314	28.5
324.10959	4.6
325.11893	8.1
335.10202	4.2
336.11133	9.7
337.11865	32.1
349.11823	26.4
350.11917	3.3
357.14404	6.0
369.14429	29.5
381.14474	9.7
407.13776	2.8
411.13278	2.7
415.13916	4.3
425.14902	3.9
440.17029	3.8
455.16394	3.5
458.17093	3.1
472.18414	6.8
487.18552	5.6
488.17990	13.1
489.19046	25.3
490.19739	37.8
491.20084	3.9
499.18402	4.4
501.19135	3.7
502.19708	16.9
504.21698	2.8
520.21204	3.7
522.22253	12.8
527.17969	7.1
533.21259	10.4
534.22339	100.0
535.22491	10.5
547.20813	47.4
559.20520	4.1
593.23810	6.0
611.25085	47.2
612.24823	7.3
679.68207	3.3
680.26001	6.9
712.28546	58.4
713.29224	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	836.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	5.0
69.03433	7.9
69.07072	5.5
69.51587	11.2
71.05013	2.8
71.08629	7.1
72.08134	3.9
73.02903	2.5
79.05473	3.9
79.46455	2.0
81.03415	5.9
81.07055	5.7
83.08606	6.3
84.08176	2.1
85.02912	7.5
86.06071	24.0
86.88741	2.0
88.03372	2.3
93.07060	4.0
95.08607	7.3
96.08131	2.8
96.87772	1.9
97.02901	4.9
98.09699	9.5
99.04447	3.5
99.08083	9.3
107.08631	2.7
109.02907	3.5
109.10169	2.3
110.24865	2.4
111.08147	2.5
112.07591	2.4
116.10735	58.7
122.09639	3.9
126.70251	1.8
127.03893	7.4
133.12941	2.1
137.05978	2.1
147.38333	1.9
149.13263	5.1
157.83229	2.2
165.09125	2.2
180.28764	2.6
196.17026	2.6
214.18010	26.7
231.15820	3.5
257.17438	4.2
292.22607	2.8
310.23785	20.7
314.60181	2.6
328.24799	100.0
329.25082	6.9
376.23383	3.3
411.79092	2.1
426.32153	17.8
490.30219	13.0
506.11169	2.3
576.29614	10.7
588.37207	10.8
614.28625	3.2
738.34619	5.6
836.44745	13.6
837.44330	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	837.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52307	0.1
67.01870	0.4
67.05504	0.2
68.99763	0.5
69.03413	0.3
69.06499	0.6
69.07057	0.1
70.06578	0.1
70.50139	0.1
70.50566	0.1
71.04989	0.1
73.02889	0.1
79.05520	0.4
81.03402	0.4
81.07067	0.7
83.04966	0.5
83.08593	0.1
85.02894	0.4
85.06558	0.1
89.03923	0.2
91.05480	0.5
93.07042	0.8
95.04968	0.4
95.08595	0.4
97.02883	0.3
97.06531	0.4
99.04446	0.3
101.02434	0.1
103.05449	0.1
105.07014	0.9
107.04946	0.2
107.08586	0.5
109.02870	0.5
109.06520	0.4
109.10136	0.1
111.04449	0.3
111.08107	0.5
117.03374	0.2
117.07031	0.1
119.04920	0.1
119.08566	0.4
121.06488	0.6
121.10148	0.2
123.08092	0.1
123.11682	0.2
125.06007	0.2
127.03893	0.5
127.07528	0.2
129.01836	0.2
129.06921	0.1
129.48859	0.1
131.04932	0.1
131.08560	0.2
133.10118	0.5
135.04427	1.4
135.08054	0.4
137.02350	0.6
138.09142	0.1
139.07520	0.3
142.07745	0.1
143.07062	0.1
143.08559	0.2
145.06531	0.1
145.10095	0.2
147.08087	0.1
147.11674	0.9
149.13300	0.2
153.01823	5.3
153.09032	0.1
154.02138	0.2
157.08801	0.1
157.10117	0.2
161.02357	1.1
161.04454	0.3
161.05867	0.1
161.13199	0.1
163.11179	0.2
165.12740	0.3
167.07040	0.2
169.12219	0.2
171.02895	1.0
171.06494	0.1
171.11679	0.1
173.13321	0.1
175.11203	0.7
179.03404	0.3
179.83772	0.1
181.05006	0.2
187.06009	0.2
189.07549	0.1
189.12715	0.4
191.10822	0.1
193.12256	0.7
195.08215	0.1
199.11191	0.2
207.13864	0.2
211.13289	0.5
217.12225	0.9
219.06505	0.3
235.13292	1.1
241.04964	0.7
243.08739	0.2
245.04407	0.3
253.14319	0.8
263.05505	0.2
269.04446	0.3
286.04614	0.1
287.05484	100.0
288.05829	5.6
288.08524	0.1
299.05551	0.1
311.14801	0.2
325.16458	0.1
329.06592	0.4
329.15784	0.3
353.15927	0.6
371.16956	0.1
449.10919	0.8
518.58002	0.1
659.23450	0.1
837.27246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	2.4
70.06591	5.4
71.31802	3.2
79.05474	4.1
81.03417	3.6
83.04993	4.2
85.02903	9.1
91.05486	4.0
92.27435	2.1
93.07051	5.3
94.06578	3.4
95.04940	2.7
95.08596	3.7
96.08114	3.1
97.02911	3.7
103.05463	4.4
105.07030	4.6
107.08555	2.5
108.08101	6.7
108.53655	2.4
110.09695	5.2
111.04543	2.8
120.08087	6.5
121.06477	3.4
122.06005	3.7
127.03853	2.4
130.84454	2.5
136.07591	12.5
137.05989	8.0
138.09129	7.1
145.10118	2.5
149.05914	2.6
150.09148	5.8
152.07018	2.7
161.06013	5.5
164.07185	2.5
165.09105	8.4
166.08611	17.6
167.07045	10.2
172.03929	18.5
177.05562	2.8
181.04973	8.7
181.96399	2.5
187.14899	3.1
190.04964	4.6
191.07045	3.8
204.06581	38.0
207.10126	2.9
212.09595	2.7
225.10248	3.7
227.11630	5.8
237.10201	6.5
239.11736	3.6
251.08208	2.7
251.11880	7.0
253.09642	4.1
255.11249	3.1
263.11679	3.6
265.09692	6.9
266.10727	2.6
267.11270	5.7
269.12827	4.7
271.10748	5.5
277.09515	2.8
278.10532	3.5
279.11456	12.3
280.12100	3.1
283.10861	4.8
284.11386	3.0
287.05472	37.6
287.13858	12.7
289.09543	4.4
291.10605	2.7
293.09024	4.1
297.12299	5.6
307.10638	3.8
309.12292	3.0
311.10181	4.8
311.13699	3.0
313.11737	3.5
323.10165	4.9
325.11826	7.0
327.13379	7.5
335.10229	5.1
339.10315	2.7
339.13495	26.7
340.09854	2.8
355.12851	10.9
356.13654	3.4
357.14438	20.8
358.15469	2.5
367.12912	17.3
370.15466	4.0
382.12057	3.2
387.15356	2.6
398.14774	5.7
399.15826	16.7
416.15915	4.4
417.15549	5.6
458.16882	7.8
490.19705	6.4
492.93173	2.8
520.20660	4.7
552.23315	8.7
599.25531	3.3
611.24878	35.5
643.27991	18.0
653.22748	3.1
682.25970	7.6
714.28632	100.0
715.28448	16.1
773.30066	3.8
837.28418	5.4
837.44519	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	837.355
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03910	5.2
69.03426	6.5
70.06594	7.4
71.31870	5.1
79.05486	7.6
81.03403	7.0
82.06098	4.7
83.85061	4.8
85.02927	11.4
85.19367	5.0
88.79953	5.1
90.39634	4.9
91.05507	9.1
94.06593	11.9
95.04974	5.5
95.07364	5.1
96.08146	12.2
108.08131	20.7
110.09701	12.8
115.05439	6.4
120.08117	15.1
122.06056	9.7
122.09708	5.2
123.04379	5.5
124.07669	6.0
136.07590	22.5
137.05971	12.2
138.09155	23.3
146.05980	7.0
148.07567	12.0
150.09073	12.0
166.08611	39.4
167.07047	17.2
172.03940	17.6
173.06018	5.2
181.04971	14.7
190.05016	17.7
197.10789	7.5
201.16954	5.1
204.06569	22.1
225.10349	6.5
227.11823	16.1
237.10239	12.9
241.09715	18.9
251.11891	11.1
253.09692	8.9
255.11215	6.0
263.11624	6.7
265.09802	15.6
266.10657	6.4
267.11288	25.5
269.12943	15.8
271.10800	13.9
277.09644	6.3
279.11279	14.9
281.12878	6.9
283.10861	11.5
284.11536	10.0
285.12247	6.3
287.05557	15.7
287.13983	15.4
293.09317	8.0
295.10764	5.7
297.12396	17.6
299.13980	7.9
300.11063	12.1
307.10690	9.4
309.12350	7.3
311.10428	9.4
311.13779	6.7
315.13348	35.2
323.10263	7.2
325.11703	26.1
327.13351	15.6
335.10361	9.4
339.13409	31.6
353.11191	9.4
355.12930	15.0
356.14069	8.1
357.14450	21.8
358.15466	6.9
367.12982	29.8
383.24023	5.5
398.15033	15.1
399.15637	24.5
400.16232	6.1
416.16071	15.6
428.15979	6.2
440.16260	9.5
446.16788	8.1
458.17175	29.5
478.19656	10.5
480.21051	10.2
487.17072	10.4
488.18207	9.7
506.19571	9.1
520.20435	15.5
593.23779	8.4
611.25006	100.0
612.25037	8.3
622.59393	5.8
642.26239	27.4
643.27057	20.3
650.23273	17.4
682.26013	96.0
683.26526	48.5
714.28424	14.5
715.29187	28.0
773.29541	21.3
774.29108	5.8
805.32373	8.5
837.28876	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	838.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.0
65.03973	1.8
65.86793	1.5
67.00169	1.4
67.05507	3.8
69.03069	2.9
69.03429	27.6
69.52392	1.4
71.01353	5.2
71.04996	20.8
71.30865	2.3
73.02935	9.9
75.04459	1.7
78.45784	1.5
79.05457	2.2
81.03421	4.9
83.04984	58.3
84.05315	2.3
85.02907	100.0
86.03261	1.8
87.04447	3.6
91.05473	2.0
92.40675	1.8
95.04975	6.7
95.08611	13.0
97.02895	44.7
99.04451	12.1
101.06059	2.0
105.07042	2.6
107.08577	1.9
111.04449	64.0
113.06002	9.9
115.03958	13.2
117.05499	8.6
119.08570	3.8
121.06504	1.5
127.03935	5.9
129.05478	46.5
135.08096	2.9
137.05946	2.4
147.06497	2.8
147.08112	2.2
153.05550	2.9
159.11742	2.0
161.05896	1.8
171.06525	90.2
175.06042	4.7
187.06018	2.3
189.07587	87.6
190.07999	3.6
195.06644	1.9
199.05983	2.5
203.14342	10.1
213.07603	1.9
217.15869	3.4
225.07588	10.2
231.08858	1.9
243.08650	12.8
261.09714	16.8
263.50360	1.6
294.88074	1.6
303.10757	2.7
437.30072	3.3
439.32040	2.1
445.88733	1.8
455.31689	2.4
501.32034	5.5
524.90149	1.9
539.30585	1.7
838.43805	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	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.3
63.49852	3.7
65.03933	8.4
67.05179	5.9
67.05512	84.9
69.03429	8.3
69.07076	34.2
70.17934	3.7
71.04996	7.8
71.31487	5.3
79.05495	80.3
81.03431	22.7
81.07062	94.5
83.04999	17.0
83.08622	10.5
85.02904	4.9
85.06544	4.8
85.08356	3.3
87.04490	8.3
91.05488	54.9
93.07059	71.1
95.04978	19.5
95.08613	51.7
97.06545	22.8
97.10162	13.2
105.07030	43.6
107.04962	32.4
107.08604	39.5
109.02910	6.5
109.06534	27.5
109.10155	21.0
111.04442	6.1
111.08080	4.5
113.05977	4.6
117.07078	21.8
119.08609	35.5
121.02862	16.2
121.06525	22.8
121.10162	31.2
123.04485	5.7
123.08076	15.5
123.11713	5.6
125.06007	21.3
125.09663	7.1
129.06985	10.7
131.08585	29.7
133.10150	19.2
135.08041	17.0
135.11690	15.6
137.05968	4.4
139.07512	4.0
143.08562	6.5
145.06462	10.1
145.10112	18.2
147.08063	8.5
147.11674	10.6
149.09641	9.9
149.13258	8.1
151.07527	9.7
155.08539	8.4
157.10172	8.9
159.08041	21.8
159.11566	7.4
161.09636	10.4
161.13295	7.6
163.07552	11.7
163.11211	5.8
169.10121	5.8
171.11688	8.7
173.09676	7.7
173.13287	6.3
175.11177	4.8
177.09047	6.1
187.14818	5.5
219.13704	6.3
232.43729	3.7
233.15407	43.9
241.14325	13.4
243.17427	4.8
251.16652	5.8
253.16006	4.1
261.18463	5.9
267.16144	4.6
271.16864	21.0
289.17966	55.8
307.19019	22.5
335.25824	100.0
336.26129	6.4
363.21683	26.5
381.22757	21.2
441.48193	3.8
523.60248	3.7
572.05853	4.0
623.42828	24.7
641.44067	32.9
839.49561	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	840.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77555	2.4
60.01572	2.8
61.02926	7.9
62.06093	6.8
67.05508	12.0
69.03436	18.1
69.07079	10.2
70.02957	7.6
70.82765	2.4
71.05002	4.0
73.02929	4.9
79.05499	8.7
80.35614	2.1
81.03428	8.4
81.07068	23.1
83.08607	4.5
85.02421	5.0
85.02912	70.2
85.39403	2.1
88.03994	5.2
91.05483	18.7
93.07050	17.2
95.08622	36.3
97.02908	25.1
99.04448	2.3
105.07040	34.3
107.08595	32.9
109.02902	6.4
109.10163	20.8
117.07011	2.3
119.08582	48.8
121.06535	3.2
121.10157	26.8
123.08087	3.1
123.11722	8.9
127.03934	14.5
131.08585	7.1
133.10149	33.5
135.11679	22.9
137.13255	3.0
143.08589	3.5
145.04936	17.0
145.10159	16.9
147.11707	21.0
149.13260	6.5
150.72287	2.6
156.14201	2.7
159.11705	10.2
161.13303	16.4
163.06068	3.5
163.14847	8.7
167.07106	7.7
173.13324	8.4
175.14867	16.0
177.16327	11.4
181.04924	4.2
183.11839	2.4
187.14883	14.9
189.12740	2.7
189.16380	27.9
191.17923	13.0
193.15900	3.1
201.16388	14.2
203.14410	3.7
203.17966	20.7
205.16011	3.6
213.16400	3.0
215.18010	3.5
217.19569	8.9
229.15958	3.6
229.19559	2.9
264.19525	2.6
282.20618	6.3
284.45975	2.4
290.21127	7.5
294.20773	16.4
296.22238	3.2
308.18842	1.5
308.22205	51.8
480.38321	9.4
498.39423	100.0
499.39532	10.1
516.40527	74.3
517.40814	7.4
529.49225	2.5
565.40784	2.5
678.45844	26.1
679.46088	6.7
822.50562	3.3
840.35425	3.8
840.51050	71.4
841.51904	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	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	6.0
62.14038	2.8
65.03934	3.4
67.05508	94.5
67.46561	3.7
69.03432	11.2
69.07066	26.3
71.04996	7.0
71.31636	3.9
71.32014	4.0
79.05499	87.9
81.03418	19.4
81.07057	100.0
82.07407	4.6
83.04986	12.2
83.08613	16.4
85.02912	7.0
85.06538	5.0
91.05479	62.1
93.07051	73.5
95.04954	22.5
95.08614	56.0
97.02885	6.7
97.06542	23.1
97.10172	21.4
99.08089	4.1
103.05484	3.3
105.07030	44.5
105.07669	4.7
107.04964	10.6
107.08601	39.9
109.02831	3.1
109.06544	29.1
109.10155	21.6
111.08072	5.1
111.30138	3.0
117.07004	19.0
119.08598	33.5
121.06536	6.3
121.10148	30.6
123.08070	16.7
123.11711	8.2
125.09639	13.7
127.03918	4.1
128.06203	6.0
129.07021	9.8
131.08560	27.2
133.06470	5.0
133.10141	20.2
135.08075	10.1
135.11693	16.1
137.09656	7.4
141.07002	5.5
143.08586	7.2
145.06441	5.7
145.10127	20.9
147.08044	6.7
147.11690	15.3
149.09665	5.5
149.13263	10.3
153.09114	4.4
153.12648	3.5
157.10138	9.1
159.08138	3.5
159.11705	13.3
161.09654	9.7
161.13287	5.7
163.11185	10.6
165.09155	3.7
171.11583	5.4
173.13271	9.3
175.11217	5.8
177.12762	4.0
185.13335	4.2
189.11227	9.3
207.57346	3.1
223.13164	3.4
227.12753	16.1
241.14369	4.8
243.21013	3.8
255.17430	6.4
259.20593	4.2
261.22128	11.8
273.18542	34.3
275.20178	3.9
279.16028	3.6
291.19574	27.2
297.16998	3.7
335.25845	73.7
336.25909	4.8
347.22061	8.5
348.22586	3.8
365.23141	15.2
383.24268	5.4
493.36057	3.7
529.39191	4.7
557.38568	4.0
573.56726	3.8
625.44806	18.6
643.45123	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	841.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.5
65.03928	1.3
67.05505	4.4
69.03439	6.1
69.07060	2.9
71.01369	1.2
71.04996	39.9
73.02925	8.1
75.04486	2.7
79.05486	3.8
81.03425	1.5
81.07067	7.4
83.04987	42.8
85.02909	28.0
86.04971	0.9
87.04457	3.5
91.05482	4.7
93.07032	7.4
93.62799	1.3
95.04985	6.2
95.08613	14.9
97.02883	6.7
97.06516	1.4
98.22649	2.7
99.04443	2.3
101.06035	2.2
105.07033	12.4
107.04988	1.3
107.08591	7.9
108.24040	1.1
109.10170	7.9
111.04449	52.3
112.04736	1.0
113.06009	15.3
115.03934	5.1
117.05497	8.8
117.07001	1.5
119.08580	16.9
121.06458	1.3
121.10141	5.3
123.08064	1.3
123.11703	2.1
127.03972	1.4
129.05486	63.4
130.05823	1.5
131.08565	9.3
133.06511	1.6
133.10121	7.4
135.08054	2.3
135.11696	2.4
143.08560	4.8
145.10121	12.0
147.08073	2.3
147.11690	6.0
148.50473	1.1
149.13277	1.4
153.05505	2.3
155.08595	1.7
156.09282	1.3
157.10139	4.4
159.04498	1.1
159.11703	8.2
159.60945	1.2
161.09604	2.7
161.13242	6.3
163.14813	2.4
167.07007	1.9
169.10101	2.3
171.06537	36.3
171.07993	2.1
171.11684	3.4
173.09630	1.5
173.13258	6.6
175.11209	1.3
175.14809	3.8
177.16376	1.7
181.05008	2.2
183.11716	2.6
185.13289	4.7
187.14836	19.3
188.15166	1.5
189.07591	100.0
189.12817	4.1
189.16356	3.6
190.07933	2.9
191.14276	2.5
195.11755	1.1
196.52605	1.1
197.13266	3.6
199.14856	6.5
201.16428	6.4
203.14317	14.9
204.14682	1.5
205.15910	3.8
211.14833	1.5
213.16298	6.5
215.14348	2.2
217.15906	4.3
221.15375	1.0
225.07663	1.8
225.16405	1.8
227.17859	2.0
229.15926	2.7
231.17500	3.7
233.15324	1.5
241.19611	1.8
247.16962	2.2
253.19525	1.7
289.19888	1.2
303.10794	1.6
342.38876	1.2
365.96124	1.0
380.27444	1.2
385.28784	1.1
391.29938	1.9
403.29883	2.6
405.31915	1.3
409.30997	1.3
421.31015	5.0
431.29056	1.6
437.30396	3.3
439.31821	2.7
449.30460	6.2
455.31540	29.2
456.31784	3.6
467.31863	7.8
470.64844	1.2
485.32617	36.7
486.32928	4.7
503.33710	21.4
504.33701	2.5
521.34399	3.1
567.95148	1.2
587.35089	1.7
635.37103	1.1
661.67639	1.2
673.39374	2.3
691.40161	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	1.1
59.81736	0.9
61.02934	4.2
65.03931	2.3
67.05507	6.0
68.52023	0.9
69.03423	7.0
69.07060	2.5
70.06594	1.2
71.04993	40.8
73.02911	8.3
75.04472	3.4
79.05490	4.2
81.03400	1.0
81.07064	7.1
83.04980	46.5
83.08598	1.3
84.05339	1.1
85.02902	32.5
86.06065	1.1
87.04453	5.8
89.66887	0.9
91.05486	5.4
93.07052	6.8
95.04973	5.7
95.08609	15.9
97.02901	7.1
97.06529	1.2
97.51781	0.9
99.04442	2.2
99.08047	0.9
101.05992	1.7
105.07019	9.9
107.08592	9.2
109.06506	1.0
109.08471	0.8
109.10155	6.2
111.04444	52.1
111.08048	1.2
113.06005	13.8
115.03916	4.9
117.05512	6.8
117.07015	2.0
119.08578	16.5
121.06496	2.1
121.10112	6.2
123.08034	2.3
123.11695	1.8
125.06003	1.2
127.03910	3.1
128.06201	1.1
129.05481	60.9
130.05774	1.4
131.04956	0.9
131.08577	9.3
133.10138	7.8
135.08049	1.5
135.11687	3.5
137.06049	1.2
137.09561	2.1
139.07533	1.2
143.08546	4.6
145.10130	10.5
147.08051	3.3
147.11682	5.5
149.09608	2.1
149.13254	2.4
153.05574	1.1
155.08612	1.2
157.10161	4.9
159.08009	1.1
159.11707	7.6
161.09612	2.1
161.13264	3.8
163.07593	0.9
163.14839	2.3
167.07033	2.4
169.10168	1.4
171.06525	37.4
171.11607	5.0
172.06877	1.6
173.13297	4.5
175.11150	1.9
175.14813	3.8
177.16345	2.1
181.05043	1.2
182.10915	1.0
183.11702	1.7
185.13237	3.7
187.14816	17.8
188.15154	1.0
189.07579	100.0
189.12721	3.4
189.16367	4.3
190.07945	3.4
191.14270	1.7
195.11577	0.9
197.13327	2.3
199.14827	5.2
201.16328	7.0
203.14333	13.9
203.17979	0.9
205.15892	3.7
207.17337	0.9
211.14828	2.0
213.16341	5.7
215.14268	2.4
215.17978	0.9
217.15860	3.6
219.13805	1.0
219.17416	1.0
223.14819	1.1
225.07515	1.6
229.15865	2.6
231.17351	1.6
233.15271	1.2
239.18156	1.3
243.08742	1.1
287.05432	1.4
303.10779	1.6
321.11774	1.6
329.22873	0.9
391.29904	2.0
403.29907	3.0
405.31635	1.6
419.29028	1.1
421.31039	4.8
431.29193	1.0
437.30515	2.3
439.32169	2.5
449.30600	4.8
455.31528	30.3
456.31714	3.0
467.31549	8.5
485.32614	37.0
486.32950	4.0
496.33722	1.0
503.33691	17.4
504.33902	2.7
521.34656	3.3
673.39441	2.5
691.40027	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	841.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	1.5
67.05498	2.9
68.97366	0.3
69.03438	3.2
69.07064	1.1
71.04993	1.4
71.72301	0.3
73.02913	3.9
79.05482	1.7
81.03429	0.6
81.07066	2.5
83.04984	34.5
83.08609	0.7
84.05311	0.6
85.02905	100.0
86.03239	1.4
86.06077	0.4
87.04470	1.1
91.05450	1.8
93.07053	2.7
95.04961	1.5
95.08607	5.0
97.02898	2.2
97.06544	0.5
99.04443	0.9
101.06005	0.8
103.03926	0.4
105.07030	4.0
107.08606	3.1
109.02842	0.4
109.06528	0.9
109.10173	2.4
111.04447	22.1
111.08054	0.7
112.04804	0.6
113.06026	0.6
115.03932	1.4
116.10662	0.4
117.07018	0.8
119.08578	6.2
121.06508	0.7
121.10133	2.5
123.08079	0.8
123.11713	0.8
127.03915	7.9
129.05478	8.1
129.06985	0.5
131.08585	3.4
133.04933	0.5
133.10110	2.8
135.08044	0.9
135.11697	0.8
137.09682	0.7
143.08566	1.6
145.10132	4.8
147.08070	0.7
147.11694	1.4
149.09541	0.4
149.13263	0.6
155.08563	1.0
157.10121	2.0
158.10854	0.4
159.11682	3.1
159.65115	0.4
161.09648	0.8
161.13271	1.7
163.11098	0.5
163.14792	0.9
167.06982	0.5
169.10164	0.7
171.06528	61.9
171.11690	1.2
172.06839	1.5
173.09563	0.6
173.13245	2.4
175.14787	1.6
177.16353	0.6
179.14240	0.4
183.11707	0.6
185.13245	1.2
187.11168	0.5
187.14830	7.4
189.07582	43.2
189.12776	1.3
189.16368	1.7
190.07964	1.2
191.14331	1.0
197.13246	0.9
199.14769	2.0
201.16394	2.8
203.14317	5.0
203.17859	0.5
205.15883	1.2
211.14792	0.9
213.16362	1.5
215.14305	1.3
215.17981	0.4
217.15855	1.3
221.15245	0.4
225.16478	0.5
227.17993	0.6
229.15881	0.9
231.17342	0.8
237.16411	0.5
247.16966	0.4
285.09705	0.6
287.05472	1.1
303.10617	1.6
391.29984	0.8
393.31873	0.5
403.29880	1.4
405.31366	0.8
419.28976	0.5
421.30780	1.4
422.31473	0.4
423.32700	0.6
431.29523	0.5
437.30225	1.0
439.32022	0.7
449.30682	1.8
455.31586	11.3
456.31653	1.4
467.31543	2.7
468.32004	0.4
480.97165	0.4
485.32663	15.1
486.32620	1.3
496.34064	0.5
503.33731	7.7
504.33990	1.0
521.34460	1.1
587.35394	0.7
617.36975	0.6
643.38434	0.5
673.39178	0.7
691.40643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	1.4
59.69301	1.5
65.03946	4.7
66.65055	1.3
67.05507	76.0
67.39346	1.2
68.05823	2.0
68.68842	1.4
69.03423	3.8
69.07067	20.4
69.13526	9.1
69.13945	3.2
71.04990	4.6
79.05493	52.5
81.03410	4.7
81.07061	79.5
82.07397	1.7
83.04984	4.5
83.08612	13.6
85.02907	1.5
85.06547	1.9
91.05482	35.2
93.07048	58.2
95.04965	7.8
95.08608	49.7
95.09239	2.1
97.06540	6.6
97.10160	5.4
99.08073	2.7
105.06370	2.3
105.07029	29.6
107.04979	3.1
107.08597	31.7
109.06544	6.4
109.10158	30.8
111.08076	3.7
113.09633	1.6
115.05418	2.3
117.07037	9.1
119.08589	23.0
121.06516	1.7
121.10139	25.8
123.08081	3.5
123.11680	7.9
125.09566	1.8
129.06978	2.6
131.08571	17.3
133.10133	22.1
135.08119	2.4
135.11684	13.0
137.09636	3.9
143.08615	3.9
145.10153	12.9
147.11693	10.7
149.09579	3.8
149.13278	11.5
157.10164	5.0
159.11697	11.2
161.13266	4.7
163.11214	2.5
163.14833	2.2
165.12766	2.1
171.11685	4.4
173.11839	2.6
173.13271	7.0
175.14799	3.6
177.12741	3.1
177.16371	1.7
183.11604	2.7
185.13269	2.6
187.14722	1.7
189.16470	1.6
195.13783	2.6
197.13203	2.5
199.14833	1.9
203.14297	1.7
205.15894	2.2
217.15849	2.5
219.17397	2.2
227.12741	2.8
229.14336	15.3
243.21037	3.4
257.19064	4.9
259.20557	2.4
261.22104	11.5
267.16049	1.3
269.17505	23.2
270.17810	1.6
275.20026	27.6
293.21082	5.4
309.20526	9.3
317.24637	2.2
335.25803	100.0
336.25925	7.7
349.23831	21.1
367.24728	12.9
419.24384	1.5
437.34155	2.4
472.16458	1.6
489.35693	10.4
507.36298	2.8
529.38898	56.4
530.39227	7.2
539.29706	1.4
547.40167	1.3
551.40436	1.7
569.41925	27.2
570.42212	5.1
609.45099	24.5
610.45374	3.7
627.46448	15.9
843.48541	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	843.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.9
67.05509	9.9
69.03424	6.4
69.07072	5.6
71.04994	14.1
71.31502	1.0
71.44836	0.8
73.02927	1.8
75.04465	1.7
78.34030	0.8
79.05494	7.5
81.03407	2.2
81.07052	14.0
83.04990	7.2
83.08612	2.1
83.69276	0.8
85.02911	25.7
85.06522	0.8
91.05478	10.3
93.07057	13.0
95.01320	4.1
95.04976	9.8
95.08609	39.3
97.02903	1.5
97.06545	2.3
97.10219	0.9
103.05449	1.0
105.07033	20.5
105.07751	1.0
106.07378	0.8
107.04955	1.3
107.08598	16.8
109.06545	2.9
109.10153	12.7
111.04450	4.8
111.08112	2.5
117.07032	4.4
119.08588	40.9
121.06496	3.6
121.10150	15.1
123.08100	5.6
123.11706	3.1
125.09691	1.3
128.06183	1.1
129.05470	4.7
129.06990	2.1
130.07813	1.0
131.08578	17.1
133.06512	1.3
133.10127	17.6
135.08073	3.7
135.11697	7.7
137.09636	2.6
139.07527	0.8
141.01830	10.9
141.06950	1.1
142.07806	2.2
143.08571	11.1
145.06462	1.1
145.10124	25.8
147.06511	1.5
147.08070	5.1
147.11694	11.8
149.09619	3.6
149.13284	4.4
155.08556	3.0
156.09323	1.5
157.10153	10.5
157.29156	1.1
158.10768	0.8
159.02872	1.8
159.08017	1.5
159.11707	15.2
161.06058	1.1
161.09682	4.4
161.13261	9.9
163.07468	1.1
163.11176	1.9
163.14827	5.5
169.10204	4.3
170.10970	1.9
171.11674	9.1
173.09583	1.6
173.13271	13.0
175.11240	2.5
175.14833	11.7
177.09135	0.9
177.12776	2.3
177.16359	4.1
179.14304	2.0
181.10164	1.6
182.10913	1.4
183.11708	2.9
185.13254	9.1
185.86385	1.1
187.11214	1.4
187.14822	34.1
188.15230	1.9
189.12796	6.0
189.16423	7.9
191.14343	4.2
195.11659	1.6
197.13216	4.6
199.14796	10.4
201.12794	1.5
201.16412	13.0
202.16507	0.8
203.14316	30.6
203.17953	1.2
205.15863	10.3
207.13899	1.5
211.14798	4.7
213.16386	9.8
215.14307	5.8
215.17937	3.2
217.15829	8.4
219.13831	1.0
219.17487	1.2
223.14815	2.1
225.16393	2.9
227.14424	1.5
227.17937	4.3
229.15909	4.8
229.19489	1.4
231.17429	4.8
233.15414	2.7
235.16869	1.1
239.18025	1.3
241.15822	1.6
243.17374	1.5
245.15372	1.9
247.16943	3.9
251.18050	1.3
253.19446	1.0
267.21255	1.1
271.80383	0.9
281.19131	1.0
281.22595	1.8
283.20520	1.1
305.08658	3.5
306.22253	0.9
373.28922	1.1
385.28726	1.6
387.30331	1.3
391.29990	2.3
403.30078	5.3
405.31519	2.2
409.31021	1.4
411.32504	1.2
419.29083	1.5
421.31107	7.7
422.31186	0.9
423.32657	4.7
431.29306	2.6
437.30463	3.6
439.32254	4.5
449.30493	9.8
455.31570	100.0
456.31854	9.8
467.31549	19.2
468.31747	3.1
485.32645	99.8
486.33032	13.7
496.34448	2.0
503.33664	68.4
504.34073	8.4
521.34601	8.6
601.37244	2.2
643.34924	6.2
661.35120	2.7
679.36591	3.8
697.37439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.4
65.03941	0.5
67.05502	6.4
69.03425	3.2
69.07072	2.0
69.24121	1.1
69.24532	2.4
71.04996	0.7
73.02919	3.3
79.05496	5.0
81.03423	1.4
81.07059	5.9
83.08633	0.7
85.02911	5.5
91.03948	2.5
91.05475	2.9
92.36712	0.5
93.07034	3.9
95.08602	4.4
97.02889	4.5
99.04482	1.1
101.02377	1.2
105.07066	1.8
107.05010	0.6
107.08620	1.8
109.02915	0.6
109.10146	1.3
112.99160	0.5
117.07018	1.1
119.08609	1.5
121.10165	1.4
123.11755	0.6
127.03958	1.5
131.08621	0.8
133.10161	1.2
135.11746	1.1
139.17764	0.5
139.34337	0.5
147.11749	0.8
149.13234	0.6
193.08244	0.5
223.09540	0.9
243.08473	1.9
254.14328	0.6
335.25909	0.8
347.18234	4.8
348.18658	0.6
441.17499	1.5
479.22498	0.6
514.09296	0.6
519.29327	9.7
520.29608	0.9
565.26453	2.4
719.39600	5.0
720.40472	0.6
757.44739	3.1
843.48572	100.0
844.48969	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.7
67.05505	6.1
69.03441	3.6
69.07069	1.8
71.32348	1.6
71.32710	0.9
73.02915	4.1
76.37569	0.9
79.05503	4.7
81.03429	1.4
81.07050	7.2
85.02904	4.3
91.03973	3.0
91.05495	2.5
93.07037	5.3
95.04970	1.4
95.08630	4.0
97.02914	4.3
99.04505	1.4
101.02376	1.3
105.07055	1.8
107.08624	2.5
107.84846	1.1
109.10176	1.5
119.08612	1.9
121.10162	2.2
127.03938	1.3
135.11754	1.3
145.10121	1.0
243.08463	2.3
260.23264	1.0
261.14688	1.1
289.51910	0.9
347.18121	5.5
441.17236	1.0
519.29346	9.6
530.19800	0.9
565.26190	3.3
719.39716	2.8
735.27216	1.0
757.45166	3.7
843.48535	100.0
844.48895	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	845.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.2
65.03951	1.6
67.05504	10.9
69.03427	7.7
69.07060	5.8
69.16780	5.5
70.06593	0.9
71.04994	37.9
72.05304	1.0
73.02915	2.5
75.04475	4.7
77.03887	1.2
79.05500	11.7
81.03408	2.8
81.07056	22.1
83.04979	11.2
83.08611	3.2
85.02907	69.6
85.06521	1.8
85.68975	0.8
86.03223	1.2
87.04462	1.8
91.05476	18.2
93.07047	27.2
95.04976	10.4
95.08607	28.9
97.02885	6.6
97.06532	3.7
97.10170	1.7
98.22640	1.9
99.04443	2.9
99.08081	1.1
103.05417	1.6
105.07030	38.5
106.07341	1.4
107.04916	0.9
107.08593	25.0
109.02889	2.6
109.06530	4.9
109.10152	14.4
111.04449	8.4
111.08079	3.9
113.06012	2.1
115.03957	0.8
115.05438	2.2
116.06252	1.0
117.07009	10.1
118.05153	0.8
119.08581	44.8
119.83466	0.9
120.08903	1.1
121.06505	9.3
121.10149	16.4
123.08070	6.5
123.11707	3.8
125.09588	1.0
127.03899	4.7
128.06250	4.1
129.05486	15.9
129.06990	8.5
130.07791	2.9
131.08565	44.8
132.08861	1.4
133.06483	3.3
133.10127	23.6
135.08051	9.3
135.11710	9.2
137.05971	1.6
137.09596	2.6
139.07672	0.9
141.06984	3.8
142.07784	8.7
143.08568	29.4
144.09311	3.6
145.04947	2.7
145.06502	2.6
145.10121	67.8
146.10484	1.8
147.06535	9.9
147.08040	11.6
147.11688	18.1
149.09581	4.5
149.13252	4.2
151.07466	1.5
151.11206	1.1
153.07008	1.5
153.09116	0.9
155.08577	10.7
156.09335	6.7
157.10127	34.9
158.10738	3.7
159.08066	5.3
159.11691	41.3
160.12157	1.2
161.05937	1.0
161.09621	18.3
161.13252	17.6
162.09901	0.8
163.07486	1.7
163.11188	3.5
163.14796	3.6
165.05423	2.0
165.09027	0.9
167.08533	1.7
168.09332	3.0
169.10143	14.9
170.10941	5.7
171.08073	1.0
171.11699	29.3
172.08784	0.9
172.12447	1.6
173.09738	4.7
173.13261	48.8
174.10318	0.9
174.13600	1.0
175.11224	7.7
175.14835	15.2
177.09149	1.2
177.12761	3.2
177.16423	1.0
179.14310	1.8
180.09299	1.3
181.10152	3.5
182.10933	2.9
183.10162	1.5
183.11694	20.5
184.12337	1.5
185.09677	3.3
185.13258	59.0
186.13643	2.7
187.11232	6.4
187.14822	43.4
188.15196	2.3
189.09094	1.4
189.12738	28.8
189.16353	4.5
190.13002	1.0
191.10648	1.5
191.14336	10.6
193.10126	1.2
195.11678	4.3
196.12506	1.0
197.13269	16.1
198.13988	1.2
199.11162	3.1
199.14815	36.1
200.15196	1.6
201.12758	15.4
201.16393	11.7
203.14317	42.3
203.17964	1.6
204.14656	2.4
205.12230	2.8
205.15836	5.5
207.11646	1.5
207.13664	1.0
209.13295	4.4
211.11270	1.1
211.14790	11.6
213.12773	5.0
213.16377	8.9
215.14275	15.4
215.17789	1.7
217.12404	1.6
217.15875	18.1
219.13789	21.7
219.17363	2.2
221.13297	2.2
221.15387	8.6
223.14793	3.8
225.16371	5.0
227.14328	3.4
227.17972	3.6
229.12198	1.2
229.15874	7.9
231.13808	6.4
231.17387	4.2
233.15450	5.2
235.14919	2.1
235.17001	1.1
237.16568	1.7
239.17961	2.7
241.15869	2.3
241.19510	1.1
243.13799	1.2
243.17429	3.0
245.15414	3.5
247.13077	1.9
247.16956	2.8
249.16635	1.3
251.18018	2.1
253.19531	1.8
255.08791	1.4
255.17444	1.8
261.14917	1.5
263.16086	1.7
265.19556	1.7
277.19501	1.6
279.21063	1.9
293.18985	0.9
293.22549	1.2
303.21088	1.2
309.11829	2.9
323.23599	1.1
359.27255	1.1
371.27390	1.7
373.28711	2.0
377.24283	1.2
377.28571	2.0
383.27072	1.8
389.28348	10.6
391.30051	3.4
401.28384	8.3
403.29819	2.7
405.27661	1.9
407.29446	13.4
408.29611	1.2
409.31104	1.7
417.27924	4.8
419.29443	14.3
420.29639	1.4
421.30777	2.6
423.28961	1.1
425.30411	7.5
429.27716	2.9
435.28937	20.9
436.29214	1.7
437.30478	11.2
438.30881	1.1
439.31970	1.9
441.29724	1.1
447.29044	13.2
453.30045	23.2
454.30273	2.2
455.31485	4.9
465.23639	1.7
465.29959	23.8
466.30249	3.2
471.31082	64.6
472.31311	5.4
473.32425	3.5
483.31055	30.6
483.37234	0.8
484.31415	2.1
491.33521	2.6
501.32108	100.0
502.32510	8.4
519.33185	59.6
519.39868	0.7
520.33722	6.0
537.34253	9.7
540.95123	0.9
569.55945	0.9
617.36462	3.0
633.36566	5.3
634.35681	1.1
647.37738	2.2
663.37268	9.8
665.38513	1.3
681.37988	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45683	1.2
67.05498	7.7
68.97025	1.1
69.03438	8.7
69.07066	5.4
69.35394	7.2
71.04996	1.5
79.05497	9.2
81.03416	2.7
81.07058	14.5
83.04969	1.6
83.08599	1.7
85.02905	14.6
91.05483	9.6
93.07047	14.4
95.04980	10.0
95.08610	36.4
97.02914	3.1
97.06555	3.0
97.96719	1.1
99.04453	2.1
105.07033	19.1
107.08595	18.7
107.98106	1.3
109.10155	10.4
111.08089	1.6
112.74535	1.4
115.05504	1.4
117.07004	4.3
119.08582	37.5
121.06488	2.4
121.10141	13.6
123.08085	4.9
123.11691	4.6
127.03898	2.6
129.06976	2.9
131.08575	17.0
133.06499	1.6
133.10117	21.1
135.08046	4.0
135.11693	7.1
137.09602	1.8
142.07826	2.2
143.08540	8.8
144.13960	1.2
145.04944	3.2
145.10106	21.1
147.08054	5.6
147.11668	9.5
148.43393	1.2
149.09593	2.9
149.13269	6.0
151.11143	1.5
155.08553	3.7
155.14253	1.2
157.10132	10.8
158.10857	1.4
159.11700	16.2
161.06020	1.3
161.09622	4.9
161.13248	9.7
163.06038	2.1
163.07486	2.5
163.11266	1.5
163.14871	2.8
165.12727	1.3
169.10117	4.8
170.10938	1.5
171.11674	10.2
173.09621	2.1
173.13277	11.7
175.11104	2.0
175.14832	8.5
177.12756	1.9
177.16389	4.2
182.10880	1.3
183.11679	4.3
185.13281	8.2
187.14816	32.2
188.15245	1.6
189.12724	4.9
189.16354	6.4
191.14307	2.9
197.13245	4.6
199.14813	9.0
201.12720	2.0
201.16382	8.8
203.14317	30.8
203.18149	1.8
204.14682	1.7
205.15897	9.2
211.14786	4.1
213.16333	9.6
215.14294	5.3
215.17929	3.8
217.15907	9.4
219.17484	1.4
225.16272	3.2
227.17940	3.6
229.15851	4.6
231.17493	5.7
233.15344	2.6
239.17929	1.9
245.18843	2.1
247.16916	2.0
251.17923	1.5
253.19542	1.9
279.21078	1.7
335.23840	1.7
403.29803	3.5
405.31357	3.6
419.29544	1.4
421.31073	8.5
423.32498	5.0
431.29388	3.3
437.30438	2.9
439.31906	3.9
449.30396	9.5
455.31580	93.6
456.31940	9.4
467.31717	14.4
468.31744	2.0
485.32620	100.0
486.32999	14.0
503.33664	51.3
504.33807	6.7
521.34503	5.5
635.97864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.4
65.03941	1.4
67.05505	13.1
69.03426	10.2
69.07082	6.8
71.04995	1.3
73.02927	1.4
79.05488	7.3
81.03417	3.4
81.07058	15.8
83.05002	2.5
83.08619	3.1
85.02425	1.9
85.02908	28.8
85.06541	1.7
91.05483	11.1
93.07050	18.7
95.04972	9.8
95.08606	49.2
97.02894	7.0
97.06538	3.8
97.33591	1.0
98.23350	3.1
99.04444	3.0
99.69653	1.0
105.07038	23.7
105.07745	1.3
107.04976	1.3
107.08596	22.8
107.09284	1.9
109.02886	2.3
109.06541	5.0
109.10157	16.3
111.08087	2.4
112.92530	1.1
115.05437	1.7
117.07018	6.0
117.48593	1.0
119.08583	48.4
119.09447	2.5
120.08912	1.3
121.06538	2.9
121.10143	13.3
123.07259	1.0
123.08056	5.8
123.11713	4.5
127.03903	6.3
128.06239	2.4
129.07013	3.5
131.08568	22.3
133.10135	19.6
135.08090	5.0
135.11685	8.9
137.05943	2.5
137.09599	4.7
141.06966	1.4
142.07809	1.1
143.08585	11.2
143.41718	1.1
144.09320	1.4
145.04962	6.1
145.10121	32.0
147.08034	5.1
147.11682	12.3
149.09613	4.2
149.13252	6.0
155.08557	4.3
156.09323	2.7
157.10141	14.1
158.10915	1.4
159.08000	2.3
159.11690	19.6
161.09648	7.0
161.13258	14.1
163.06026	2.3
163.11172	2.4
163.14847	5.5
169.10117	4.8
171.11710	12.8
173.09532	2.3
173.13257	14.8
175.11201	2.6
175.14830	12.7
177.12772	2.4
177.16406	4.2
179.14299	1.9
183.11708	4.6
185.13264	9.4
187.11279	1.2
187.14822	36.4
189.12758	7.6
189.16359	7.9
191.14305	4.8
193.15938	1.3
195.11719	2.2
197.13260	5.8
199.14827	12.3
201.12709	3.0
201.16408	13.4
203.14323	35.7
203.17842	2.5
204.14636	1.5
205.15892	11.6
209.13231	1.7
211.14778	3.4
213.16422	11.2
215.14357	6.9
215.17953	3.0
217.15845	10.3
219.17432	1.8
221.13332	1.7
221.15308	1.4
223.14867	1.8
225.16344	1.9
227.14374	1.7
227.17970	4.5
229.15894	5.5
231.17429	6.1
233.15373	2.6
237.16350	2.8
239.18018	2.6
241.15823	1.4
241.19643	2.0
245.15407	2.3
247.17014	2.2
251.17995	2.1
253.19569	2.0
259.16925	1.9
281.22989	1.4
287.05429	1.7
307.24109	1.4
353.24814	2.0
385.28647	2.1
391.29855	2.9
403.30078	5.2
405.31561	4.0
406.36157	1.3
421.31015	7.3
423.32565	4.4
431.29248	1.7
437.30505	2.2
439.31918	3.4
449.30496	6.8
455.24933	2.0
455.31552	90.3
456.31735	8.3
467.31577	11.4
485.32635	100.0
486.32846	11.2
503.33667	60.6
503.41116	2.7
504.34033	4.4
521.34760	9.3
527.61115	1.2
597.12256	2.2
696.88165	1.2
716.09015	1.2
757.84344	1.3
842.00079	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	1.4
65.03944	1.2
67.05506	8.9
68.99218	0.9
69.03426	7.9
69.07066	4.8
71.04994	2.2
79.05495	8.1
81.03434	2.6
81.07065	14.8
83.05005	1.6
83.08636	3.5
85.02907	14.6
90.20556	1.0
91.05483	11.0
93.07049	16.2
95.04977	10.3
95.08609	48.2
95.40224	1.0
97.02901	3.3
97.06535	3.3
99.04436	1.2
105.07028	22.8
107.04982	1.5
107.08592	18.7
107.09289	1.5
109.02891	2.0
109.06541	4.1
109.10152	12.8
111.08086	2.7
116.06271	1.0
117.07030	3.3
119.08585	41.2
120.45681	1.0
121.06515	3.9
121.10141	15.7
123.08051	5.5
123.11707	4.9
124.12007	1.0
127.03939	3.2
128.06264	1.1
129.06987	2.5
131.08580	15.3
133.10130	17.5
135.08046	4.5
135.11705	8.2
137.09599	3.3
141.06987	1.8
142.07813	2.5
143.08571	10.2
144.09305	1.6
145.04985	3.6
145.06581	1.2
145.10132	25.3
147.08025	5.8
147.11703	11.1
149.09659	3.8
149.13274	4.0
151.11153	1.2
153.09145	1.1
155.08600	2.7
156.09377	1.4
157.10143	13.1
159.08041	2.2
159.11700	15.9
161.09621	6.0
161.13277	9.3
163.06006	1.3
163.07518	1.3
163.11223	1.9
163.14847	3.9
169.10167	5.2
171.11681	9.4
172.12259	0.9
173.13283	13.3
175.11223	2.8
175.14830	11.0
177.12758	3.3
177.16409	3.3
179.10605	1.1
179.14322	2.1
181.10089	1.6
182.10921	1.6
183.11725	5.0
184.12492	1.1
185.13292	9.1
187.11266	1.3
187.14822	36.6
188.15190	2.1
189.11285	1.0
189.12744	5.7
189.16373	8.6
191.14304	3.9
193.54402	1.0
195.11720	1.1
197.13319	3.6
199.11250	1.1
199.14806	11.3
201.12773	2.8
201.16371	11.6
203.14316	31.0
203.18004	2.7
204.14737	1.6
205.15907	7.7
209.13226	1.6
211.14803	5.0
213.16379	9.4
215.14340	7.1
215.18045	2.8
217.15865	9.9
219.17348	2.0
223.14864	1.7
225.16461	3.3
227.14322	1.6
227.17972	2.8
229.15889	6.6
229.19522	1.4
231.17529	6.1
233.15411	3.1
237.16515	1.0
239.18011	3.1
243.17329	2.2
245.15317	1.6
245.19135	1.2
247.16949	2.3
251.18080	1.1
253.19598	2.1
255.17432	1.6
255.21324	1.1
287.05435	2.6
305.22928	1.0
391.30157	1.6
393.31601	1.3
403.30157	4.6
405.31329	2.9
409.30569	1.0
421.31158	7.5
423.32654	5.3
431.29349	2.9
437.30942	1.2
439.32059	3.8
449.30414	7.8
455.31577	90.2
456.31870	9.6
467.31577	15.7
468.31934	1.5
485.32629	100.0
486.32999	10.1
496.34177	2.0
503.33685	47.8
504.33838	4.6
521.34369	4.7
544.71448	1.0
845.36273	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.37676	3.8
62.46725	3.6
66.81421	3.6
67.05524	18.7
67.30064	3.8
69.03437	24.9
69.07069	14.0
69.26399	11.8
69.26823	14.7
70.06588	5.3
71.05001	8.4
79.05488	21.8
81.03415	10.2
81.07053	41.2
83.04960	12.3
83.08620	7.8
85.02911	50.5
87.04485	4.9
91.05477	26.3
93.07052	40.6
95.04961	8.5
95.08611	52.2
97.02901	14.8
97.06543	4.4
97.10153	3.6
105.07037	57.7
107.08599	73.9
109.02843	4.1
109.06528	5.7
109.10170	36.6
111.08088	12.3
117.07024	14.7
119.08584	82.4
121.10136	43.2
123.08076	7.3
123.11707	18.3
125.09622	17.0
127.03923	5.0
128.06248	7.5
129.06970	11.5
131.08554	38.4
133.10132	55.7
135.08049	4.3
135.11678	23.9
137.05974	4.5
137.09608	5.3
142.07787	6.8
143.08577	35.4
144.09261	4.4
145.04955	6.5
145.10127	76.3
147.08020	4.5
147.11685	35.1
149.09555	7.4
149.13254	15.5
151.11154	5.5
153.91911	4.3
155.08560	14.5
156.09314	11.9
157.10104	41.7
158.10876	5.3
159.11679	63.8
161.09665	9.6
161.13274	34.4
163.07639	4.6
163.11143	7.2
163.14862	8.5
167.07001	4.8
169.10114	23.2
170.10954	9.4
171.11707	44.4
172.12305	5.0
173.13252	40.9
174.13568	3.9
175.11293	5.5
175.14874	24.3
177.12849	7.2
177.16432	12.1
181.10115	7.0
183.11700	60.4
184.12296	5.5
185.13258	62.1
186.13617	4.7
187.14827	66.2
189.12729	8.2
189.16374	16.3
191.14334	6.1
193.15967	7.1
195.11777	11.4
197.13235	20.6
199.14824	56.5
201.12776	9.8
201.16422	47.4
203.14362	17.2
205.15802	25.6
207.17595	5.6
209.13313	11.6
211.14859	27.0
213.12871	4.4
213.16353	23.0
215.14307	11.6
215.17928	9.5
217.15819	17.3
219.17484	19.1
221.13237	9.3
223.14824	7.8
225.16356	11.8
227.14412	4.7
227.18015	19.8
229.15887	15.1
231.13887	6.1
231.17363	9.3
237.16385	9.4
239.17900	11.1
247.16975	6.9
251.17900	10.7
253.19521	10.5
257.15286	5.4
263.17941	4.1
277.19467	7.5
279.21085	5.7
291.20969	5.6
335.23795	6.6
347.27518	6.4
385.28671	7.3
387.30396	7.1
391.26132	9.2
403.29944	33.1
405.31512	57.6
409.27405	19.3
421.31091	82.8
422.31253	5.9
423.32672	33.1
431.29358	28.5
437.30164	7.7
439.32092	31.8
449.30521	100.0
450.30920	9.3
457.33377	4.2
467.31577	70.5
468.31876	12.0
485.32657	22.8
503.33551	15.6
647.37958	24.0
648.37146	4.0
665.39349	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	845.452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.4
67.05508	9.1
69.03427	8.3
69.07065	4.5
70.06599	1.3
70.19714	1.0
71.05000	1.0
71.31657	1.5
79.05499	5.8
81.03430	3.0
81.07057	12.9
83.04984	2.1
83.08630	2.0
85.02908	21.2
87.46149	1.0
91.05473	9.1
93.07053	13.9
93.33248	0.9
95.04981	7.4
95.08612	32.8
97.02899	6.6
97.06533	2.4
99.04439	2.3
103.05501	1.5
105.07037	16.7
107.08596	15.9
109.02874	2.7
109.06519	2.0
109.10157	10.6
111.08068	2.0
115.05446	1.0
117.07018	3.0
119.08581	32.5
120.08963	1.4
121.06504	3.1
121.10148	12.2
123.08086	3.3
123.11731	2.6
127.03912	5.2
129.07031	3.1
131.08588	13.8
131.59033	0.9
133.06499	3.0
133.10135	16.3
135.08054	2.4
135.11682	4.8
137.05968	1.3
137.09637	2.5
142.07793	2.0
143.08546	7.3
144.09425	1.7
145.05013	3.4
145.06480	1.2
145.10118	22.5
147.08076	4.3
147.11671	8.7
149.09673	2.3
149.13275	3.9
155.08537	2.6
156.09386	2.2
157.10135	10.6
159.07996	1.7
159.11670	13.7
161.06006	2.3
161.09630	4.7
161.13234	8.3
163.05994	1.4
163.07451	1.2
163.11174	1.8
163.14857	3.2
167.08789	1.0
169.10133	3.2
170.10913	1.6
171.11667	7.2
172.12390	1.1
173.09610	1.5
173.13274	10.4
175.07611	0.9
175.11165	1.8
175.14819	9.5
177.09120	1.0
177.16385	2.2
179.14287	1.2
181.10129	1.5
183.11720	2.8
185.09596	1.3
185.13234	6.5
187.14828	28.9
188.15227	1.7
189.12811	5.5
189.16371	5.6
191.14279	3.5
197.13310	4.3
199.14848	7.9
201.12669	1.4
201.16383	9.0
203.14336	26.4
203.17934	2.8
205.15889	6.1
209.13272	1.8
211.14809	1.9
213.16360	7.3
215.14409	5.2
215.17932	1.6
217.15897	6.9
219.17506	2.1
225.16435	1.1
227.17903	2.1
229.15819	4.9
231.17497	3.8
233.15276	2.3
239.18034	2.2
241.15746	1.5
245.15462	1.2
245.18906	1.3
247.17014	2.3
253.19563	2.0
257.18970	1.5
263.17914	1.3
287.05490	1.5
305.53247	1.1
346.46152	1.0
373.28516	1.2
385.28806	1.4
391.29965	2.6
403.29855	5.5
405.31534	1.9
419.29291	1.1
421.30945	7.6
423.32584	3.3
431.29529	2.6
437.30743	2.2
439.31989	3.4
441.34091	1.1
449.30508	7.6
455.31561	75.4
456.31750	7.2
467.31625	15.5
485.32626	100.0
486.33054	10.5
503.33655	64.8
504.33875	4.4
521.34564	10.4
535.54041	1.0
839.46765	1.1
845.27148	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	845.4518
Annotation	Platycodon saponin 2
Peak:m/z	Relative Intensity
59.34420	2.3
61.02932	3.3
65.03944	2.8
67.05504	13.4
69.03435	8.5
69.07079	5.7
69.12685	17.5
70.06593	3.0
79.05496	10.7
81.03428	3.2
81.07068	20.3
83.08614	3.3
85.02906	18.9
91.05486	12.4
93.07066	14.4
95.04981	10.3
95.08602	51.6
97.02897	4.3
97.06515	2.9
98.22615	5.8
99.04469	2.4
105.07032	29.3
107.08594	20.9
109.02896	3.6
109.06530	3.5
109.10188	11.6
111.08114	2.6
115.05444	2.5
117.07041	4.9
119.08579	42.6
121.06485	8.0
121.10145	18.1
123.08052	6.0
123.11709	2.4
129.07043	2.4
130.61938	2.5
131.08597	13.7
133.06535	3.0
133.10129	20.0
135.08054	6.4
135.11703	10.2
137.05972	3.6
137.09612	4.6
143.08562	8.7
144.09398	2.5
145.04945	3.5
145.10114	33.6
147.08075	6.8
147.11679	10.2
149.09595	3.0
149.13278	3.9
155.08531	5.1
156.09406	3.1
157.10120	13.3
159.11707	11.0
161.09659	3.8
161.13269	10.5
163.14821	3.7
167.06992	4.4
169.10069	5.2
171.11688	9.5
173.13255	15.5
175.11226	2.8
175.14807	12.7
177.12827	3.8
177.16371	5.2
179.10614	2.7
181.10155	2.7
181.13681	2.4
183.11618	2.7
185.13214	9.3
187.14812	33.9
189.12737	4.6
189.16373	6.1
191.14375	4.4
197.13260	4.9
199.14813	12.7
200.33502	2.2
201.16402	14.3
203.14305	33.2
205.15854	10.4
209.13560	2.4
211.15005	2.8
213.16370	8.4
215.14345	5.8
215.17979	3.6
217.15790	11.3
221.02141	3.6
227.17993	3.5
229.15819	4.6
231.17403	4.6
233.15500	4.1
247.17131	2.9
247.73793	2.8
403.30154	5.9
421.30859	8.1
423.32819	4.0
439.31876	6.0
449.30685	8.6
455.31555	88.5
456.31903	10.5
467.31412	17.5
485.32660	100.0
486.33072	10.6
503.33743	54.2
504.33835	7.0
521.34448	7.7
650.17432	5.0
692.69971	3.4
845.24634	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	845.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.6
67.05509	13.4
69.03432	10.5
69.07055	7.5
69.19914	4.1
69.20329	2.7
70.06588	2.7
71.04988	2.6
73.02911	1.6
74.66548	1.1
75.23975	1.0
76.70436	1.5
79.05495	7.9
81.03417	4.4
81.07064	19.5
83.04983	4.9
83.08632	3.8
85.02907	31.6
85.06516	1.0
91.05479	12.0
93.07040	19.9
94.51492	0.9
95.04957	11.3
95.08610	51.7
96.08936	1.8
97.02886	7.1
97.06523	3.2
97.10157	1.2
99.04470	3.1
102.31117	1.2
103.05487	1.8
105.07028	31.0
107.08597	24.4
108.08916	1.4
109.02876	3.1
109.06518	4.9
109.10158	14.2
111.08079	3.1
117.07031	6.7
119.08584	52.4
119.09443	2.5
120.08929	1.2
121.06504	4.4
121.10138	19.6
123.08070	4.3
123.11712	3.6
125.09662	1.2
127.03894	6.0
128.06200	2.4
129.07010	2.3
131.07677	2.1
131.08568	21.6
133.06485	2.2
133.10141	20.6
135.08054	4.8
135.11699	8.9
137.09592	4.1
137.13307	1.3
141.07048	1.5
142.07761	2.3
143.08565	11.6
145.04932	6.5
145.06546	1.8
145.09000	2.3
145.10121	31.5
147.08072	8.3
147.11693	11.5
149.05917	1.2
149.09641	5.9
149.13258	4.2
151.11177	1.6
153.09114	1.6
154.07758	1.2
155.08553	3.5
156.09264	3.2
157.10139	16.3
158.10855	1.5
159.08080	1.6
159.11707	21.3
160.12100	1.3
161.09668	5.9
161.13239	13.3
163.06097	1.3
163.07497	1.3
163.11147	2.1
163.14809	5.2
167.08490	1.3
169.10112	5.8
171.11671	9.1
172.12459	2.7
173.09674	1.8
173.13260	17.2
174.13678	1.3
175.11195	2.1
175.14824	15.3
177.12816	1.9
177.16428	3.6
181.10088	2.2
183.11725	4.1
185.13271	9.6
187.11244	1.7
187.14819	38.7
188.15164	3.8
189.12741	7.9
189.16389	8.8
191.14273	4.6
195.11555	2.2
197.13206	5.3
199.11118	1.6
199.14841	11.5
201.16379	12.8
203.14313	36.9
203.17923	2.7
204.14598	1.9
205.15883	10.0
209.13182	2.1
211.14842	4.7
213.16367	13.1
215.14412	6.2
215.17955	4.5
217.15869	9.9
219.17465	2.5
221.15308	2.1
223.14839	2.0
225.16377	2.5
227.14307	1.5
227.17896	4.8
229.15900	5.9
229.19560	1.4
231.17384	5.3
233.15369	2.6
237.16415	2.2
239.17943	2.8
241.19482	1.8
245.15486	2.0
247.16954	1.7
251.18015	2.1
253.19470	3.0
257.19083	1.8
265.19571	1.2
267.21149	1.5
273.18613	1.5
283.20557	1.4
385.28955	1.2
403.29825	5.0
405.31625	2.7
409.31140	1.3
419.29266	1.2
421.30969	8.4
423.32462	4.5
431.29211	2.8
437.30280	2.2
439.31909	4.8
449.30673	9.2
450.30035	1.2
455.31537	92.2
456.31808	11.3
457.32193	3.5
467.31464	15.6
485.32629	100.0
486.32950	13.6
487.33130	2.3
496.33914	2.0
503.33609	56.9
504.34082	8.6
505.33737	2.1
517.34015	1.3
521.34888	10.0
845.29779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.2
64.17681	1.0
65.03941	1.9
67.05505	10.9
69.03431	10.6
69.07074	6.3
69.49612	3.4
69.50020	2.1
70.06593	1.7
71.04991	1.5
71.91116	0.8
79.05495	8.5
81.03429	3.2
81.07065	16.4
83.01377	0.9
83.04973	2.9
83.08622	2.8
85.02423	1.9
85.02908	29.1
85.06593	1.2
91.05475	13.1
93.07049	16.7
95.04976	12.2
95.08607	40.1
96.08884	0.9
97.02894	6.6
97.06526	3.4
97.10168	1.3
99.04445	3.0
103.05479	1.8
105.07031	23.3
107.04962	1.3
107.08599	21.9
109.02876	2.7
109.06525	3.4
109.10149	13.2
111.04428	1.6
111.08082	3.3
113.05912	1.0
115.05505	1.3
117.06991	4.7
119.08582	41.9
120.08911	1.1
121.06515	3.0
121.10149	16.3
123.08064	5.9
123.11723	3.7
125.09637	1.6
127.03938	5.0
128.06244	1.8
129.07022	2.8
130.07753	1.1
131.08574	17.6
132.93335	1.0
133.06470	2.0
133.10130	17.2
135.08060	6.3
135.11690	8.0
137.09637	3.4
141.06982	2.2
141.09299	1.2
142.07777	2.1
143.08546	9.0
145.04994	5.6
145.10123	26.2
147.08058	6.1
147.11684	14.9
149.09668	4.6
149.12239	1.0
149.13264	5.9
151.11176	1.7
155.08517	3.0
156.09348	1.7
157.10139	11.2
159.08014	1.7
159.11690	18.0
160.12030	1.1
161.09622	4.7
161.13242	11.3
163.06062	2.2
163.07501	2.0
163.11163	2.2
163.14806	4.1
165.12796	1.3
169.10127	4.5
170.10794	1.3
171.07964	1.3
171.11671	8.6
172.12340	1.2
173.09792	1.2
173.13264	14.3
175.11171	1.8
175.14816	12.3
177.12766	2.4
177.16365	3.2
181.10146	1.1
182.11014	1.2
183.11684	4.6
185.13315	7.8
187.11259	1.5
187.14816	32.0
188.15070	1.9
189.12749	4.6
189.16403	6.2
191.10515	1.0
191.14331	4.4
195.11697	1.2
197.13275	4.8
199.11137	1.2
199.14847	9.1
201.12756	2.0
201.16374	9.4
203.14325	31.9
203.17876	1.6
205.15872	9.7
209.13287	1.4
209.15364	1.8
211.14809	5.8
213.16370	9.7
215.14342	4.3
215.17865	2.6
217.15846	8.3
219.13792	1.1
219.17418	1.8
223.14830	1.9
225.16339	2.6
227.14354	1.9
227.17926	3.8
228.22382	1.1
229.15877	6.2
230.16161	1.1
231.17348	5.1
233.15381	3.3
235.14731	1.3
239.17981	2.9
241.15840	2.0
241.19553	1.5
245.15419	1.3
247.16959	2.4
253.19501	2.1
257.19138	1.5
259.17044	1.6
267.21191	1.8
279.20786	1.3
281.22681	1.4
287.05582	10.3
288.05649	1.4
325.25143	1.6
385.28845	2.7
391.30002	2.1
403.29956	4.7
405.31485	2.4
409.20947	1.1
421.31039	8.0
423.32513	4.0
431.29303	2.1
437.30228	2.3
439.32013	3.7
449.30429	9.4
452.89682	1.0
455.31552	91.1
456.31760	7.6
467.31482	14.9
468.31693	1.1
485.32632	100.0
486.32684	8.8
496.34637	1.4
503.33652	60.4
504.33694	5.6
521.34900	9.6
647.15021	1.1
845.49994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.48
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.7
71.32234	1.7
81.07070	1.4
81.88015	1.0
85.16788	1.0
95.08631	1.3
133.10199	1.0
446.62823	1.3
535.26978	1.6
582.72931	1.3
845.48120	100.0
846.48358	17.3
858.15393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.2
69.04469	10.4
69.04872	1.9
70.64259	1.0
79.05473	1.4
85.02921	1.9
98.22624	2.4
98.53540	1.1
107.08584	1.2
159.14749	1.1
354.55154	1.2
530.77655	1.2
591.76801	1.3
721.41534	2.1
735.43317	2.2
799.44849	1.3
845.48120	100.0
846.48279	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.7
67.05505	7.0
69.03438	2.9
69.07063	2.0
69.13494	0.6
69.13763	6.3
73.02922	3.9
77.72310	0.6
79.05502	4.8
81.03440	1.7
81.07073	5.6
82.54107	0.7
83.08601	0.9
85.02584	0.6
85.02927	6.1
86.50123	0.7
91.03954	2.7
91.05473	3.5
93.07053	3.8
95.08615	4.0
97.02901	4.9
97.10234	0.7
98.23357	1.6
99.04453	0.8
101.02393	2.0
105.07060	1.7
107.08616	1.7
109.02837	0.8
109.10177	1.7
119.08600	2.0
121.10180	2.9
127.03957	1.3
128.08081	0.8
131.08614	1.2
133.10139	1.3
145.10118	0.9
159.11719	0.8
232.30629	0.7
243.08490	2.2
248.74205	0.6
311.73367	0.7
335.25821	0.7
349.19781	4.1
350.20383	0.8
519.29413	8.3
567.28168	2.8
845.50079	100.0
846.50494	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	846.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	12.9
69.03439	15.7
69.07045	12.4
69.35231	59.2
70.06598	11.6
79.05492	25.8
81.07067	33.1
85.02917	60.3
91.05501	13.4
93.07042	33.4
95.08620	55.2
105.07028	70.3
107.08610	48.1
109.10169	37.3
109.76939	10.5
119.08578	72.1
121.10168	42.6
123.11720	16.4
127.03956	15.6
131.08577	39.8
133.06479	16.7
133.10104	46.6
135.11794	22.7
137.05986	13.8
143.08542	9.8
145.05008	17.8
145.10114	81.1
147.11676	24.9
151.03944	12.9
157.10168	35.7
159.11725	56.1
161.06030	29.7
161.13271	36.2
167.07133	15.6
171.11688	26.5
173.13295	41.4
175.14862	31.8
177.16443	18.9
183.11707	27.6
185.13303	37.3
187.14827	89.1
189.16393	45.6
193.08679	35.3
199.14795	48.4
201.16412	72.2
203.14285	21.8
203.17987	19.7
205.15924	39.8
207.17365	12.4
213.16322	19.1
215.18132	10.5
245.15326	13.7
253.19565	12.8
255.21049	12.3
265.10251	10.6
287.05453	14.4
359.23764	10.7
387.30606	16.7
405.31549	72.4
406.31961	15.2
407.32962	23.1
423.32486	27.2
425.34268	17.6
433.31158	41.0
439.32175	20.6
441.33286	10.2
451.32169	100.0
452.32596	12.2
469.33142	73.9
486.32690	10.3
487.34534	23.2
631.37970	23.6
649.39148	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	847.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.4
62.57458	0.3
63.46659	0.4
67.05506	4.9
69.03431	2.3
69.07050	1.9
69.14303	2.3
69.14728	0.7
71.05012	0.6
73.02914	3.6
79.05492	3.3
81.03439	1.5
81.07059	5.4
83.08633	0.5
85.02914	4.7
86.53996	0.4
91.03956	2.7
91.05487	2.2
93.07049	3.5
95.04996	0.6
95.08598	2.9
97.02887	4.1
97.06540	0.4
97.10187	0.6
99.04475	0.7
101.02393	1.6
105.07014	1.7
106.50188	0.3
107.08557	1.9
109.02893	0.8
109.10148	1.7
110.67232	0.4
113.37644	0.4
119.08609	1.2
121.10177	1.6
123.11687	0.3
125.09627	0.3
127.03964	1.3
131.08543	0.8
133.10179	1.0
135.11716	0.8
145.10167	0.6
147.11703	0.6
149.13329	0.4
159.11758	0.5
194.56320	0.4
203.05363	0.4
243.08398	2.7
259.08072	0.5
272.16962	0.3
301.09012	0.7
315.31308	0.4
335.25540	0.4
351.21561	3.0
363.79678	0.4
519.29327	5.5
520.29248	0.5
569.29382	6.0
591.31323	0.5
847.51721	100.0
848.52063	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	848.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	0.3
65.03933	0.6
66.04709	0.6
69.03427	1.4
69.37051	1.4
79.05467	0.4
81.03399	0.7
81.07006	0.3
85.02903	6.2
89.53783	0.2
91.03941	0.3
91.05479	3.9
94.04161	1.7
95.04977	0.5
97.02898	2.0
98.23402	0.4
99.04422	0.4
103.05451	2.6
105.03368	0.3
105.07028	2.5
107.04958	0.3
109.02863	0.7
109.06516	1.1
115.05444	0.9
115.12496	0.2
117.07034	1.2
119.04945	4.6
120.05246	0.3
121.06516	0.5
122.03635	4.2
123.04415	0.8
126.65751	0.2
127.03901	1.1
128.06198	0.3
129.06979	1.0
130.04137	0.4
131.04916	7.7
133.06494	2.9
137.05969	100.0
138.01878	0.2
138.06311	2.3
145.05032	1.5
145.06464	3.6
146.03673	0.4
147.04402	21.1
148.04750	0.7
149.05984	1.8
150.06691	0.3
151.07544	0.8
155.04907	0.5
156.78256	0.2
157.06496	0.8
158.41681	0.2
161.05978	20.8
162.06682	1.9
163.06137	0.2
163.07520	4.6
165.05504	0.4
165.06895	0.3
173.05974	11.2
174.06413	0.5
175.07552	0.8
177.05273	0.2
178.07753	0.4
179.07028	1.1
185.05931	2.6
187.07504	0.5
189.06964	0.6
190.07784	0.7
191.07010	0.4
191.08557	3.8
193.10075	0.3
202.07747	1.3
203.06996	2.2
203.08578	2.5
206.07224	0.3
207.08142	0.4
209.09630	0.5
218.07266	0.9
219.08037	7.0
220.08739	1.0
221.09625	0.9
229.07632	0.2
231.08044	3.8
232.08441	0.3
234.06725	0.3
235.07498	0.6
236.08211	1.1
237.09071	2.7
241.12134	0.3
247.07504	3.4
248.08394	1.4
249.09076	2.1
251.10646	6.8
252.11038	0.3
259.07556	2.4
260.08188	0.4
261.09085	0.3
263.10672	0.7
264.07779	0.4
265.08594	4.6
266.09219	0.9
267.06369	0.3
269.08185	0.3
269.11789	0.7
276.07767	0.6
277.08591	6.2
278.09009	0.7
279.10159	4.3
281.08472	0.5
281.11688	0.7
282.08856	0.9
291.10147	2.2
294.08752	0.3
295.09808	0.5
297.11194	35.3
298.11600	2.4
299.12701	0.6
309.11185	16.7
310.11505	1.3
311.12674	0.7
315.11652	0.2
327.12253	12.4
328.12634	0.9
423.14178	0.3
459.16519	0.8
489.17334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.9
67.05509	33.2
69.03418	14.0
69.07068	38.5
69.46759	13.4
69.47176	5.3
71.08629	4.8
74.86555	2.6
77.06851	2.8
79.05502	16.9
81.03407	8.4
81.06578	5.9
81.07059	85.4
83.08640	23.8
85.02907	60.4
91.05485	11.5
93.07050	43.5
95.04948	2.8
95.08607	100.0
97.02903	17.0
97.10165	15.6
105.07032	16.3
107.08598	38.8
109.02865	7.1
109.06479	2.7
109.09444	4.3
109.10163	58.7
111.11735	10.4
115.03857	3.2
117.82668	2.8
119.08586	9.4
121.06441	3.4
121.10144	32.8
121.61654	3.2
123.11705	34.6
125.13272	14.0
127.03910	19.6
133.06477	3.2
133.10129	9.6
135.11687	40.2
137.06000	3.0
137.13269	18.7
138.73167	3.1
139.11137	8.9
145.04959	25.1
145.10094	3.2
147.11694	10.9
149.13255	39.9
151.14798	10.5
159.82550	2.8
161.06000	4.8
161.13274	5.2
163.06042	12.9
163.14787	27.1
165.16418	7.0
167.14319	3.9
175.14807	4.4
177.16371	14.2
189.12743	3.1
191.17966	11.6
203.17969	5.1
207.84975	3.2
217.19528	4.9
242.19188	2.9
247.24149	6.2
273.25787	36.5
284.55151	3.6
287.05573	17.6
288.06018	3.8
291.26801	28.4
300.14114	2.8
309.27896	15.2
325.11163	14.9
435.31009	4.0
453.32397	4.0
848.39099	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	848.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.9
67.05509	33.2
69.03418	14.0
69.07068	38.5
69.46759	13.4
69.47176	5.3
71.08629	4.8
74.86555	2.6
77.06851	2.8
79.05502	16.9
81.03407	8.4
81.06578	5.9
81.07059	85.4
83.08640	23.8
85.02907	60.4
91.05485	11.5
93.07050	43.5
95.04948	2.8
95.08607	100.0
97.02903	17.0
97.10165	15.6
105.07032	16.3
107.08598	38.8
109.02865	7.1
109.06479	2.7
109.09444	4.3
109.10163	58.7
111.11735	10.4
115.03857	3.2
117.82668	2.8
119.08586	9.4
121.06441	3.4
121.10144	32.8
121.61654	3.2
123.11705	34.6
125.13272	14.0
127.03910	19.6
133.06477	3.2
133.10129	9.6
135.11687	40.2
137.06000	3.0
137.13269	18.7
138.73167	3.1
139.11137	8.9
145.04959	25.1
145.10094	3.2
147.11694	10.9
149.13255	39.9
151.14798	10.5
159.82550	2.8
161.06000	4.8
161.13274	5.2
163.06042	12.9
163.14787	27.1
165.16418	7.0
167.14319	3.9
175.14807	4.4
177.16371	14.2
189.12743	3.1
191.17966	11.6
203.17969	5.1
207.84975	3.2
217.19528	4.9
242.19188	2.9
247.24149	6.2
273.25787	36.5
284.55151	3.6
287.05573	17.6
288.06018	3.8
291.26801	28.4
300.14114	2.8
309.27896	15.2
325.11163	14.9
435.31009	4.0
453.32397	4.0
848.39099	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.0
61.02924	13.2
61.69824	1.3
62.73130	1.0
63.13059	1.2
65.03936	3.3
67.05507	100.0
68.05861	1.4
68.43093	1.1
68.91062	1.1
69.03405	2.8
69.07068	8.1
69.99848	1.0
71.04993	4.1
71.30833	1.5
71.31230	1.1
73.02923	4.2
74.56780	1.2
79.05495	22.4
81.03418	2.0
81.07058	42.6
81.07525	2.4
83.05002	1.6
83.08638	8.9
85.02911	11.7
85.06544	2.7
91.03964	7.6
91.05479	13.3
93.07049	28.9
95.04968	2.0
95.08607	27.5
97.02898	5.4
97.06516	1.7
97.10175	2.3
99.08079	1.4
105.07016	7.9
107.08598	12.6
109.10159	69.0
111.08084	3.1
113.05982	1.9
117.07024	3.6
119.08566	10.3
121.10150	13.7
123.11712	4.9
127.03928	2.5
130.92174	1.2
131.08632	5.7
133.10121	6.0
135.11690	9.2
137.09625	3.9
139.11134	1.2
145.04967	3.8
145.10124	5.7
147.11700	3.0
149.13284	5.3
155.10661	4.3
159.11728	2.5
161.13315	2.6
163.06070	3.3
163.14851	3.7
173.11775	18.5
173.13254	3.8
173.98396	1.3
174.12137	1.4
187.14864	2.5
189.11369	1.3
227.12859	3.6
229.14354	91.6
230.14589	2.4
243.21059	5.0
261.22110	21.2
317.24701	3.4
335.25800	76.0
336.26129	4.2
366.40088	1.2
373.17984	1.3
397.30817	1.4
415.32611	1.5
471.35059	1.4
489.35770	68.7
490.35971	7.2
507.36771	4.8
848.51263	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	848.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.0
61.02924	13.2
61.69824	1.3
62.73130	1.0
63.13059	1.2
65.03936	3.3
67.05507	100.0
68.05861	1.4
68.43093	1.1
68.91062	1.1
69.03405	2.8
69.07068	8.1
69.99848	1.0
71.04993	4.1
71.30833	1.5
71.31230	1.1
73.02923	4.2
74.56780	1.2
79.05495	22.4
81.03418	2.0
81.07058	42.6
81.07525	2.4
83.05002	1.6
83.08638	8.9
85.02911	11.7
85.06544	2.7
91.03964	7.6
91.05479	13.3
93.07049	28.9
95.04968	2.0
95.08607	27.5
97.02898	5.4
97.06516	1.7
97.10175	2.3
99.08079	1.4
105.07016	7.9
107.08598	12.6
109.10159	69.0
111.08084	3.1
113.05982	1.9
117.07024	3.6
119.08566	10.3
121.10150	13.7
123.11712	4.9
127.03928	2.5
130.92174	1.2
131.08632	5.7
133.10121	6.0
135.11690	9.2
137.09625	3.9
139.11134	1.2
145.04967	3.8
145.10124	5.7
147.11700	3.0
149.13284	5.3
155.10661	4.3
159.11728	2.5
161.13315	2.6
163.06070	3.3
163.14851	3.7
173.11775	18.5
173.13254	3.8
173.98396	1.3
174.12137	1.4
187.14864	2.5
189.11369	1.3
227.12859	3.6
229.14354	91.6
230.14589	2.4
243.21059	5.0
261.22110	21.2
317.24701	3.4
335.25800	76.0
336.26129	4.2
366.40088	1.2
373.17984	1.3
397.30817	1.4
415.32611	1.5
471.35059	1.4
489.35770	68.7
490.35971	7.2
507.36771	4.8
848.51263	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	853.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.4
61.38479	0.5
63.27188	0.5
67.05507	6.0
69.03434	4.2
71.30821	0.5
73.02911	4.2
78.80198	0.5
79.05505	1.6
81.03426	1.8
81.07073	2.5
83.08614	0.6
85.02907	6.8
87.04462	0.6
91.03952	3.9
91.05511	1.5
93.07065	1.8
95.04988	0.6
95.08594	1.5
97.02888	6.1
99.04463	1.0
101.02381	2.5
103.03964	0.6
105.07039	0.6
107.08597	1.0
109.02923	1.0
109.10156	5.2
115.03967	0.7
119.08595	0.8
121.16852	0.5
127.03947	1.5
136.78044	0.5
141.34718	0.5
145.04994	0.8
155.10677	0.6
173.11757	1.7
195.09966	0.8
203.05396	0.9
219.44446	0.6
229.14468	0.9
243.08412	3.1
284.97342	0.5
347.09625	2.2
365.10800	0.7
405.13745	6.4
413.17819	9.8
519.29297	3.3
575.23065	8.7
576.23328	0.6
592.01495	0.5
681.34656	5.1
682.35059	0.7
691.40155	2.0
791.35101	0.7
853.45465	100.0
854.45868	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	853.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	8.0
67.05508	6.3
69.03437	5.7
69.07068	1.1
69.20113	3.9
71.01366	0.7
71.05025	0.8
73.02924	4.6
79.05476	2.4
81.03436	2.4
81.07059	3.9
83.01354	0.6
83.08640	0.6
85.02907	7.6
91.03957	4.4
91.05503	1.1
93.07055	3.0
95.08611	2.5
97.02896	6.9
99.04480	0.9
99.79763	0.5
101.02383	2.7
103.04044	0.5
105.07043	0.7
107.08599	1.2
109.02897	1.6
109.10159	3.6
109.64713	0.5
115.03953	0.6
119.08588	1.3
121.10154	1.3
122.71705	0.5
127.03962	2.1
135.11708	0.8
147.11726	0.5
173.11844	1.1
185.04277	0.9
195.10040	0.9
203.05374	1.1
243.08530	2.1
335.26019	0.8
347.09671	2.0
363.09161	0.7
365.10654	1.4
405.13892	6.0
413.17847	5.0
519.29370	5.2
575.22961	4.3
681.34686	7.7
682.34674	0.9
691.40253	1.7
853.45520	100.0
854.45892	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	1.6
65.03929	1.2
67.01871	1.0
67.05510	5.4
69.02348	6.4
69.03435	26.5
71.01355	3.8
71.04996	6.9
71.65405	0.6
73.02917	7.5
79.05501	1.3
80.32479	0.6
81.03439	3.3
81.07049	1.4
83.01376	0.7
83.04985	50.5
85.02910	100.0
86.03224	0.6
87.04475	2.2
91.05469	0.9
93.07072	1.2
95.04974	4.5
95.08611	7.3
95.21348	0.7
97.02898	37.3
97.06544	1.0
99.04468	9.5
101.06046	1.6
105.07024	1.9
107.04984	0.7
107.08617	1.3
109.02888	1.1
109.06581	1.2
111.04447	42.9
112.04771	0.7
113.06009	3.5
115.03927	12.7
117.05495	3.5
119.04950	0.6
119.08568	1.5
121.06498	1.1
121.10158	0.7
121.34086	0.6
123.04444	1.8
127.03900	7.9
129.05487	24.8
131.07040	0.8
131.08612	1.0
133.05002	1.1
133.06538	0.6
133.10139	0.9
135.08032	0.8
137.06021	1.5
137.09599	0.8
139.03978	1.7
141.05515	0.8
143.03426	0.9
145.10172	1.2
147.06560	2.4
147.08130	1.1
147.11720	1.3
150.63326	0.6
151.07605	0.8
153.05475	1.9
157.04973	1.6
159.11665	0.9
161.06010	1.6
161.09628	0.7
169.05014	0.9
171.06529	84.8
172.06873	2.5
173.13252	0.8
175.06030	6.5
175.11095	1.1
179.07025	1.3
183.06601	0.7
187.06042	1.1
187.14905	0.8
189.07591	60.0
190.07959	0.9
195.06548	2.5
199.06073	2.1
201.07617	0.9
203.05562	1.9
203.14313	8.3
205.15869	0.8
213.07584	0.9
214.18008	1.2
217.15845	2.2
225.07581	6.3
243.08670	8.0
261.09723	12.6
285.09787	1.6
303.10773	2.0
338.14606	0.7
404.51920	0.7
407.29395	0.7
423.29132	1.2
425.30634	1.9
435.28992	1.3
437.30582	2.3
453.29636	0.8
455.31683	2.2
469.29361	2.1
470.30109	0.6
471.31400	0.9
481.29340	1.6
499.30377	2.8
517.31641	2.4
571.08337	0.6
637.25824	0.6
854.40076	7.0
855.41211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.1
65.03949	0.7
67.05507	2.2
69.03421	3.2
69.07056	0.7
71.01351	0.8
71.04995	1.9
71.31416	0.6
73.02912	3.8
79.05498	1.1
80.02915	0.5
81.07066	1.4
83.04982	34.8
83.46527	0.5
84.05332	0.8
85.02906	100.0
86.03226	1.5
87.04462	1.2
91.05476	2.1
93.07034	1.3
95.04997	0.8
95.08612	3.9
97.02892	4.6
99.04433	1.1
101.05991	0.9
105.07028	3.3
107.04900	0.6
107.08600	2.2
109.10154	1.4
111.04444	29.2
113.06036	0.8
115.03947	0.9
117.07002	1.1
119.08600	5.6
121.06550	0.7
121.10106	1.2
127.03916	7.0
129.05484	10.2
131.08575	3.8
133.06471	0.7
133.10138	2.3
135.08023	0.7
135.11757	1.2
137.09692	0.6
143.08582	1.8
145.10126	5.6
147.08096	1.2
147.11678	0.8
149.09679	1.0
153.05432	0.8
156.09254	0.8
157.10161	1.1
159.11685	2.6
161.09554	0.7
161.13205	1.4
167.07082	0.7
169.10045	1.0
171.06525	74.7
171.11646	1.6
172.06851	1.4
173.09575	0.8
173.13275	1.7
175.14813	1.3
183.11688	1.4
185.13254	1.7
187.14844	8.4
188.15149	0.9
189.07587	54.7
189.16318	0.8
190.07947	1.6
197.13300	0.7
199.11217	0.6
199.14809	1.7
201.16385	2.1
203.14325	5.2
205.15845	1.0
213.16357	1.2
217.15941	0.8
227.14235	0.6
229.15726	0.6
233.15491	0.7
241.19450	0.8
245.15465	0.7
269.56400	0.7
285.09692	1.4
303.10791	3.4
309.25821	1.1
321.12054	1.2
389.28363	0.7
391.29587	0.6
405.27322	0.7
407.29373	0.7
417.27594	0.7
419.29044	0.6
435.28967	2.7
437.30325	0.8
451.28119	1.5
452.10477	0.6
453.29825	1.4
455.25677	0.7
455.31534	6.9
456.31784	0.6
463.28369	0.8
469.29434	7.7
481.29379	1.4
499.30460	6.8
517.31616	29.0
518.32025	4.0
535.31940	1.0
687.36450	0.9
736.24310	0.6
855.45819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.7
65.03934	1.9
67.05501	7.4
68.88114	1.0
69.03435	7.3
69.07076	2.9
70.46625	3.1
71.01366	2.0
71.04991	47.2
73.02912	12.3
75.04480	3.9
77.22337	1.0
79.05495	5.3
81.03437	1.0
81.07068	9.2
83.04980	57.4
83.08624	1.3
85.02904	37.0
85.06547	1.3
87.04482	4.6
91.05477	7.0
93.07034	10.3
95.04974	2.4
95.08607	22.8
97.02887	14.4
97.06553	1.5
97.10184	1.6
99.04444	2.5
101.06025	1.3
105.07030	15.2
107.04956	1.6
107.08598	11.8
109.06538	1.8
109.10160	6.9
111.04438	91.9
111.08124	1.1
112.04793	1.6
113.06006	18.4
115.03923	8.7
117.05469	8.7
117.07027	4.7
119.08581	22.9
119.09418	1.3
121.06560	3.1
121.10152	6.9
123.08109	2.3
123.11664	1.4
125.05994	2.6
127.03880	5.1
128.06186	1.2
129.05478	63.7
129.07025	2.6
131.08546	14.6
133.06519	2.4
133.10127	9.9
135.08080	3.5
135.11684	4.3
137.05957	1.6
137.09650	3.7
137.13229	1.5
141.06990	1.3
143.08600	7.4
145.10110	25.6
147.08034	3.1
147.11678	7.3
149.06102	1.2
149.09666	1.3
149.13242	2.6
151.07552	2.0
153.05437	2.9
155.08569	2.7
156.09375	1.3
157.10126	8.1
158.10873	1.3
159.08157	1.3
159.11690	12.4
161.06021	1.4
161.09621	3.7
161.13266	7.0
163.07568	1.4
163.14833	4.0
167.07057	1.3
169.10130	2.9
170.10854	1.5
171.06531	41.5
171.11647	6.3
172.06880	1.9
173.09628	2.0
173.13249	11.3
175.11226	2.1
175.14806	7.4
176.15195	1.2
177.12785	2.6
177.16376	1.4
181.04926	1.4
181.10107	1.1
183.11711	5.1
185.09750	1.5
185.13226	10.5
187.14812	45.5
188.15234	2.1
189.07579	100.0
189.12750	5.1
189.16316	6.3
190.07936	3.1
191.14352	3.4
195.11670	2.1
197.13271	3.2
199.14830	8.0
201.12721	1.9
201.16389	12.9
203.14317	27.7
203.17947	1.2
204.14891	1.9
205.12202	1.2
205.15837	6.0
209.13188	1.5
211.14796	2.4
213.12798	2.2
213.16374	8.2
215.14333	3.1
215.17981	1.6
217.12296	1.9
217.15863	6.1
223.14703	1.7
225.07631	4.1
225.16507	2.4
227.14296	2.1
227.17960	2.5
229.12183	1.2
231.13881	2.5
231.17490	1.2
233.15349	2.3
237.16568	1.3
239.17929	1.4
241.19508	1.7
243.08704	1.3
245.15358	3.0
251.18054	1.2
253.19504	1.4
303.10849	1.2
307.24039	1.7
309.25943	4.2
311.94131	1.1
371.26428	1.7
389.28427	3.6
391.30011	3.5
405.27832	2.2
407.29416	4.2
409.31039	1.2
417.27631	2.9
419.29422	2.3
435.28851	8.5
437.30597	1.8
451.28482	3.2
453.30002	8.9
455.31467	23.1
456.32056	1.9
463.28448	3.6
469.29379	32.0
470.29642	2.4
481.29480	6.4
487.30389	2.4
496.92209	1.0
499.30533	22.9
500.30411	1.7
517.31586	89.9
518.32025	8.6
535.32336	1.6
609.33557	3.2
627.35376	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	856.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	73.5
65.03930	2.8
67.05513	43.1
69.03419	11.8
69.07076	9.9
69.68734	12.8
71.05005	3.2
73.02934	23.4
79.05500	31.4
81.03429	5.3
81.07063	57.1
83.08631	4.8
85.02907	100.0
91.03958	79.5
91.05472	17.3
93.07046	47.2
95.08613	45.8
97.02898	41.5
97.10150	3.6
98.22685	5.1
99.04460	5.1
103.03934	2.8
105.07026	16.1
107.08601	30.7
109.02894	4.0
109.10152	27.1
109.10838	3.9
115.03909	3.1
117.07035	3.7
119.08599	9.1
121.10135	21.3
123.08035	3.1
123.11713	15.0
127.03925	30.4
131.08571	17.3
133.10164	8.7
134.80312	2.4
135.11690	22.9
145.04961	51.9
145.10104	15.2
147.11711	8.7
149.13269	18.0
149.14297	3.0
151.11165	3.0
153.12802	2.8
159.11716	9.1
161.13255	12.0
163.06017	83.9
163.07341	5.1
163.14807	14.7
165.12650	2.7
173.13210	16.0
177.16469	6.8
187.14832	9.4
201.16382	3.5
205.15732	3.7
233.22777	6.0
243.21077	36.9
261.22144	96.1
268.78552	2.8
279.23306	3.5
335.25772	18.2
353.26859	61.5
354.27258	3.9
497.30783	3.3
566.41486	2.8
827.49615	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	856.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	78.0
65.03932	2.6
67.05505	57.5
69.03431	7.0
69.07074	10.1
70.23577	2.5
70.23978	1.5
71.04993	2.8
73.02914	29.3
79.05492	34.5
81.03420	3.7
81.07056	65.6
82.07377	1.2
83.08614	7.1
85.02905	92.0
85.06546	2.6
86.03228	1.6
91.03954	82.0
91.05470	18.3
93.07047	43.1
95.04965	3.1
95.08604	50.1
96.08928	1.8
97.02888	45.8
97.06529	3.1
97.10163	4.1
99.04461	5.6
99.08113	2.0
101.02370	1.1
103.03941	3.3
105.07030	16.5
107.08587	26.9
107.09279	1.8
109.02878	3.0
109.10154	31.0
111.08081	2.1
113.09655	1.5
115.03929	4.9
117.06991	7.4
119.08571	12.2
121.10143	30.2
123.08048	1.1
123.11697	14.5
125.09592	1.5
127.03916	33.3
131.08565	15.6
133.10129	13.1
135.00487	0.9
135.11688	26.6
137.09619	1.5
137.13268	7.9
145.04956	52.1
145.10110	12.2
146.05281	1.5
147.11678	10.8
149.09598	1.7
149.13258	17.5
151.11209	2.5
151.14816	2.6
153.12747	1.5
159.11684	9.8
161.13263	12.0
163.06018	92.7
163.14813	13.7
165.12755	2.6
165.16431	1.8
173.13263	13.0
175.14819	3.3
177.12698	1.0
177.16367	5.6
179.14340	3.2
181.16010	1.0
187.14772	8.3
191.14317	1.3
201.16397	1.7
205.15883	2.6
214.17987	2.5
215.17978	1.2
216.83583	0.9
219.17380	1.2
233.22632	2.6
243.21069	33.3
244.21393	1.7
254.27446	0.9
261.22131	100.0
262.22485	6.2
263.23737	1.5
271.08127	1.1
279.23163	4.7
287.05600	4.8
290.55429	1.0
315.23145	1.2
325.11240	3.7
335.25803	31.7
336.26053	2.8
353.26849	62.8
354.27383	4.9
368.37750	1.0
464.88171	1.0
497.31232	7.7
645.54028	1.1
726.74902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	8.2
67.05507	85.8
69.03427	5.2
69.07069	25.3
69.10232	17.5
71.04990	12.4
72.20480	2.3
78.98265	2.1
79.05494	63.3
79.95484	2.6
81.03436	7.9
81.07059	91.0
83.04987	7.9
83.08617	14.8
85.02911	4.9
85.06555	5.0
91.05487	51.4
91.06064	2.9
93.07047	78.6
93.07630	4.6
95.04983	9.5
95.08614	56.5
97.02925	3.9
97.06550	7.8
97.10197	3.7
105.04550	5.1
105.07038	33.6
107.04967	5.8
107.08595	39.4
109.06526	7.1
109.10165	27.0
111.04501	3.0
111.08070	3.7
117.07008	17.9
119.08582	28.7
121.06532	4.3
121.10147	30.3
123.08059	3.1
123.11696	4.5
127.03949	3.5
129.05518	2.9
129.07034	4.9
131.08565	23.6
133.10130	26.7
135.08060	5.6
135.11705	19.0
137.09605	2.7
143.08588	8.2
145.10121	17.3
147.11679	15.2
149.09619	6.5
149.13287	10.0
157.10159	7.3
159.11659	11.0
161.13283	6.4
163.11234	4.4
169.10190	3.6
171.11717	6.1
173.04485	2.2
173.11807	3.4
173.13280	6.3
183.11716	3.2
185.13397	3.4
187.14928	4.1
195.13907	3.6
195.31442	2.1
197.13254	3.0
199.14815	3.2
219.17545	3.3
229.14308	13.5
235.16943	2.9
239.18005	4.0
242.71104	2.4
257.19073	9.4
259.20706	3.0
261.22180	9.4
269.17484	19.0
275.20078	29.4
276.20328	2.8
293.21356	2.4
309.20557	3.2
335.25836	100.0
336.26093	7.9
349.23776	17.1
349.27258	2.1
381.26062	2.6
405.25842	2.7
423.86206	2.5
437.34204	2.9
453.24823	7.2
489.35455	7.6
529.38892	74.9
530.39148	7.5
569.42023	59.3
570.42310	6.6
609.45166	33.0
627.46063	4.0
641.47925	15.0
713.46918	5.9
803.52832	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	858.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.3
63.02397	0.4
66.04777	0.2
69.03427	0.8
70.06593	0.5
71.73421	0.3
72.08164	0.4
72.51620	0.3
77.03925	0.3
79.05493	5.5
81.03423	0.4
85.02908	3.5
89.03917	0.8
90.04707	0.6
91.05498	2.1
93.29723	0.3
95.04964	0.8
97.02898	1.0
98.22604	0.5
103.03960	0.7
103.05462	6.0
105.07029	54.8
106.07348	1.7
109.63139	0.3
115.05457	11.3
115.83779	0.2
118.04150	3.4
121.17491	0.3
127.03938	0.9
131.04906	1.8
132.05695	0.6
133.06487	54.8
134.06824	1.9
137.05972	0.4
143.04913	1.1
143.06033	4.8
145.04958	1.1
153.48476	0.2
161.05974	100.0
162.06335	3.6
163.05989	0.4
178.06293	0.3
193.08601	84.2
194.08936	2.7
308.09741	0.3
319.61459	0.3
325.11472	0.4
492.31189	0.2
664.39581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99717	0.6
70.06569	0.8
71.31356	0.6
72.40923	0.6
72.45318	0.7
91.05427	0.7
100.07402	0.6
104.88407	0.8
131.04910	0.8
137.05948	1.0
167.06956	1.0
177.05263	0.7
204.03894	0.8
205.04727	100.0
206.05095	3.3
218.05489	1.6
232.07076	0.8
246.07634	1.1
287.05579	1.0
291.60535	0.6
303.88037	0.7
310.61215	0.8
374.36026	0.7
398.95340	0.7
399.43393	0.8
407.11102	0.8
408.11853	0.9
421.12372	3.2
453.15668	0.9
481.14526	0.7
603.18231	1.4
634.20184	26.4
634.30609	1.5
635.20740	4.8
777.04279	0.7
829.26947	1.8
854.02795	0.7
858.63837	1.2
859.27783	39.2
860.27808	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	859.432
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.4
67.05515	4.1
69.03445	3.4
69.04195	6.7
69.07069	2.3
70.06568	1.7
71.04984	1.1
78.04697	0.8
79.05503	3.7
79.78518	0.9
81.03407	1.7
81.07037	6.6
83.04970	0.8
85.02422	1.3
85.02911	15.7
85.03424	1.1
86.02659	0.9
86.53197	0.8
91.05466	4.6
93.07062	7.3
95.04933	1.0
95.08611	19.8
97.02896	5.7
97.10165	1.1
98.22594	1.3
105.07041	13.4
107.04946	0.9
107.08590	11.6
109.02882	1.2
109.06505	2.3
109.10162	7.1
111.08113	0.8
117.07016	3.0
119.07774	1.4
119.08588	18.6
121.06512	2.3
121.10152	6.0
123.08079	1.5
123.11725	1.3
125.05991	1.0
127.03902	4.6
128.06337	1.0
129.06985	2.9
131.08571	11.7
133.06508	2.0
133.10132	9.8
135.08040	2.7
135.11711	4.2
137.06021	1.9
137.09615	2.9
143.08539	6.2
144.09286	1.5
145.04970	3.0
145.10124	17.9
147.08067	3.7
147.11687	4.3
149.05968	1.6
149.09631	1.2
149.13240	1.5
151.07603	2.1
155.08582	2.3
156.09328	1.0
157.10139	6.2
158.10764	0.9
159.08066	1.6
159.11688	9.2
161.05998	0.9
161.09624	2.8
161.13321	4.6
163.06187	1.0
163.07520	1.3
163.14830	2.0
169.10159	2.9
170.10880	1.2
171.11708	4.9
173.09615	1.9
173.13278	5.8
175.07664	0.8
175.11263	2.2
175.14803	5.0
177.09143	1.0
177.12747	1.3
177.16385	2.6
179.14371	1.1
181.10260	0.9
183.11728	4.7
185.09615	0.9
185.13182	6.1
187.07558	1.1
187.11237	1.4
187.14835	29.4
188.15189	1.1
189.09187	0.9
189.12737	3.4
189.16400	4.6
191.14342	3.0
195.11778	1.3
197.13229	2.9
199.11223	1.4
199.14751	5.3
201.12764	0.9
201.16382	6.9
203.14326	22.7
205.12357	1.0
205.15936	5.5
209.13289	1.0
211.14838	2.6
213.12839	2.0
213.16356	4.7
215.14343	2.6
217.12364	0.9
217.15921	4.1
219.17633	0.9
223.14702	1.0
225.16234	1.8
227.14340	1.2
227.17889	3.2
229.12140	1.0
229.15881	2.2
231.13797	2.3
231.17511	1.8
233.15366	2.5
237.16298	1.6
239.18030	1.4
243.13774	1.2
245.15228	1.4
247.17043	0.9
251.17963	1.2
253.19467	1.4
265.19583	1.0
269.15567	0.9
287.05527	7.7
307.24252	1.5
309.25858	3.7
371.25818	1.6
389.28525	3.7
391.29773	2.5
404.92856	0.8
405.27902	1.6
407.29492	5.6
417.28085	2.6
419.29413	1.9
435.28983	7.4
437.30600	1.8
451.28510	2.4
453.30099	6.5
455.31564	26.7
456.31827	2.2
463.28552	2.3
469.29510	29.1
470.29700	1.7
481.29266	4.5
487.30798	4.5
488.30936	1.0
499.30563	24.7
500.30771	2.3
517.31616	100.0
518.31873	8.1
518.44672	0.9
535.33124	1.4
827.27240	2.3
859.29535	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	861.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69102	1.2
69.89531	5.1
76.32967	1.1
92.48246	1.3
104.19173	1.3
105.07057	2.8
110.00562	1.3
125.66181	1.3
137.05974	3.1
148.39171	1.3
161.06018	2.0
167.07054	1.6
175.03673	100.0
176.04051	1.6
185.04256	1.4
191.07097	1.7
194.74374	1.2
203.03180	2.9
204.04062	2.4
205.04712	3.4
216.06415	1.4
231.06244	1.4
347.09430	1.6
372.95609	1.4
439.13367	8.2
440.14679	2.1
441.15399	2.9
453.15222	12.9
467.16833	3.2
483.16586	5.6
485.17828	2.6
605.19952	2.9
635.20728	2.4
636.21777	10.5
637.22485	9.8
831.28137	4.1
861.29358	95.7
862.29962	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	861.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17221	0.5
67.25314	0.5
67.48953	0.5
71.31355	0.7
82.91625	0.5
91.05470	0.6
133.41400	0.6
137.05954	0.7
161.05956	0.7
167.07053	1.0
174.02872	0.9
175.03668	100.0
176.04016	2.9
181.04837	0.6
196.07504	0.5
196.66206	0.5
203.03198	2.8
204.03928	2.9
205.04739	15.0
206.05051	2.6
209.23573	0.6
219.06273	1.0
231.06303	1.6
232.06963	1.6
317.77631	0.6
341.36050	0.7
346.99606	0.8
391.11673	0.7
401.12158	0.8
405.64774	0.5
408.11694	1.0
409.12531	1.0
421.12592	1.2
438.13043	1.8
439.13629	8.8
440.14291	3.5
441.15134	1.8
453.15179	12.7
454.15979	1.0
467.16904	3.5
468.17203	0.7
483.16315	7.4
485.17734	1.1
605.19904	1.3
621.19397	1.0
635.21198	2.5
636.21625	13.0
637.22485	9.4
638.22845	1.5
664.21753	1.9
666.22809	1.2
831.28455	3.8
861.29340	86.9
862.29541	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	861.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47016	0.3
66.85352	0.3
67.05519	0.6
93.07068	0.5
102.15283	0.3
110.58833	0.3
128.65726	0.3
158.65152	0.3
185.04300	1.0
203.05254	2.6
245.06413	1.5
259.07965	0.8
275.07401	0.8
289.08990	0.7
305.08466	1.6
329.08511	0.9
347.09512	7.0
348.10022	0.4
365.10550	9.5
366.11179	0.6
407.11664	2.1
421.13351	2.5
437.12909	1.4
449.12903	0.6
451.14227	1.0
467.13690	2.6
491.14087	0.4
509.14749	4.0
527.15875	5.9
537.30353	5.3
538.31122	0.4
583.18420	2.8
699.35699	7.8
700.36047	0.6
861.40826	100.0
862.41125	13.6
862.58209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.1
67.05504	4.1
69.03423	2.9
69.07078	1.0
71.01358	0.5
71.04999	1.1
73.02911	2.9
73.99166	0.3
79.05489	3.0
80.19373	0.2
81.03428	1.1
81.07056	3.8
83.08646	0.4
85.02903	3.2
87.04498	0.5
91.03941	2.2
91.05464	1.8
93.07042	2.9
95.04976	0.5
95.08611	2.6
97.02886	2.8
97.06544	0.5
97.10193	0.4
99.04458	0.6
101.02386	1.1
105.07059	1.2
107.08575	1.6
109.02885	0.6
109.10175	1.0
111.08115	0.4
115.03962	0.3
117.07053	0.6
119.08585	0.9
121.10157	1.0
127.03931	1.1
131.08624	0.6
133.10150	0.7
135.11726	0.5
145.10098	0.4
147.11691	0.4
149.13222	0.3
185.04224	0.5
200.28035	0.3
243.08424	1.8
255.97583	0.3
261.21945	0.3
284.64410	0.3
335.22311	0.4
348.87277	0.3
365.22900	3.3
373.10556	0.3
406.11267	0.3
519.29254	5.2
520.29712	0.5
583.30798	4.2
584.31952	0.3
634.64990	0.3
699.48267	0.4
709.42041	0.3
715.94409	0.3
861.53259	100.0
862.53558	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	862.37
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58854	0.3
66.24691	0.3
66.57635	0.3
69.03421	1.0
70.06602	0.7
71.04997	0.3
75.04490	0.3
79.05495	6.6
81.03413	0.9
81.07072	0.8
85.02917	0.9
86.09711	0.5
89.03880	0.6
89.16148	0.3
90.04704	0.3
91.05479	4.0
93.07053	7.0
95.04970	1.2
95.08611	0.4
97.02903	1.0
98.23328	1.1
103.05470	5.2
105.07033	49.9
106.07354	1.6
107.04898	0.3
107.08588	1.1
115.05453	10.4
118.04160	3.6
119.08598	0.8
121.10138	5.4
122.10489	0.4
123.08047	0.3
127.03893	0.5
131.04921	1.9
131.08565	0.6
132.05714	0.7
133.06494	51.8
134.06816	1.4
137.05984	0.8
139.11197	0.3
143.04887	1.3
143.06050	4.6
145.02849	0.4
145.10088	0.3
147.11729	0.4
149.06000	0.4
149.09605	1.8
161.05978	100.0
162.06322	3.8
167.07050	0.4
167.10640	1.7
178.06334	0.4
181.51836	0.3
187.14780	0.5
187.94798	0.3
193.08607	86.0
194.08920	3.1
205.08458	0.4
216.14412	0.3
287.05515	2.6
311.14893	1.4
341.17279	0.5
445.78735	0.3
455.31482	0.6
481.64590	0.3
485.32706	0.5
503.22568	0.4
503.33383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.3
67.05508	9.9
69.03426	10.0
69.07063	6.3
70.06586	6.9
71.01373	2.1
71.04997	66.5
71.30785	2.2
71.31167	2.1
71.71654	1.6
72.08125	2.4
73.02913	3.3
75.04474	5.3
79.05498	14.8
81.03407	5.5
81.07066	22.0
83.04986	13.7
83.08601	2.5
85.02910	100.0
85.06546	2.0
86.09741	3.4
87.04459	3.0
89.03951	1.6
91.05042	1.7
91.05489	19.3
93.07051	23.8
95.04967	8.9
95.08607	22.5
97.02914	9.9
97.06541	4.7
99.04436	4.8
102.97730	1.5
103.05475	5.0
105.07034	57.7
106.07341	2.2
107.04964	2.5
107.08591	20.4
107.33317	1.6
109.02885	2.2
109.06499	3.2
109.10181	10.5
111.03786	1.6
111.04428	9.8
111.08064	3.0
113.05970	1.6
115.05449	3.4
116.81635	2.0
117.07001	10.3
119.04935	1.7
119.08585	30.3
120.08144	1.7
121.06510	7.9
121.10145	13.6
123.08083	4.5
123.11706	2.6
127.03909	4.5
128.06229	4.5
129.05484	23.9
129.06999	10.8
130.07819	2.6
131.04913	5.9
131.08578	38.3
132.08900	2.2
133.06499	20.4
133.10147	20.1
134.06825	1.7
135.08119	8.1
135.08965	1.7
135.11676	6.2
137.05983	19.4
138.06325	1.7
139.07521	1.6
141.06956	2.3
142.07780	8.9
143.05992	2.6
143.08578	30.4
144.09340	3.6
145.04970	3.9
145.06462	2.8
145.10126	58.1
145.11266	3.4
146.10484	2.0
147.04433	2.3
147.06551	7.8
147.08058	13.4
147.11694	13.9
149.09639	4.6
149.13245	3.8
151.07521	2.6
155.08551	6.2
156.09320	7.4
157.10135	32.1
158.10641	2.0
159.08096	4.2
159.11705	32.5
160.11984	2.9
161.05980	39.1
161.09648	18.8
161.13301	14.2
162.06276	2.4
163.03931	1.9
163.07556	4.9
163.11201	4.2
163.14845	2.7
165.05548	2.6
165.09038	1.8
167.07065	2.7
167.08647	1.8
168.09270	2.8
169.10172	12.8
170.10872	6.0
171.11691	19.6
173.09599	5.4
173.13261	38.0
175.07521	9.3
175.11191	5.4
175.14816	9.9
177.05510	4.0
177.12793	2.5
177.16406	2.0
181.05022	2.1
181.10164	3.3
183.11707	16.4
184.12386	2.2
185.13260	48.7
186.13614	3.1
187.07512	3.1
187.11243	3.1
187.14806	32.2
189.12737	30.3
189.16356	4.0
191.14322	9.6
191.18126	1.9
193.08606	30.8
193.12222	2.0
195.11790	3.9
196.12384	2.4
197.13234	13.9
199.11128	2.0
199.14827	29.2
201.12720	11.6
201.16344	8.1
203.14322	39.2
203.17841	1.7
205.04770	2.1
205.12067	2.2
205.15851	4.7
207.11804	2.1
209.13298	4.9
211.14870	13.6
213.12689	3.8
213.16400	7.6
215.14287	13.7
217.15884	18.7
219.13737	11.4
219.17372	2.3
221.13373	2.5
221.15320	10.3
223.14832	5.7
225.16237	3.9
227.14163	2.4
227.17949	3.2
229.15886	6.9
231.13850	2.6
231.17474	3.5
233.13307	2.1
233.15425	3.5
237.16370	2.8
239.17934	1.8
245.15350	5.0
247.17073	2.2
249.11230	5.2
251.10782	2.1
255.17159	1.9
263.16327	2.5
265.19806	2.2
269.19086	1.9
291.10272	2.7
292.10898	2.1
311.12827	8.3
323.12723	4.3
377.28275	2.3
389.28482	13.5
391.29932	3.0
401.28311	7.4
403.29767	4.4
407.29596	14.5
409.30984	2.9
417.27716	4.2
419.29459	15.5
421.31104	3.8
425.30466	7.9
435.28894	22.2
436.29355	2.5
437.30420	17.1
438.31110	2.2
447.29108	12.0
448.29453	2.1
453.30112	24.9
455.31570	8.3
465.29950	26.4
466.30331	3.8
471.31088	35.2
471.37567	3.5
472.31622	1.8
473.32385	5.1
483.30997	28.2
484.31409	3.9
491.33353	2.6
501.32123	40.4
502.32132	5.4
503.32458	2.3
519.33221	39.2
520.33179	4.8
537.33917	3.4
617.36493	3.4
809.42999	20.9
810.43616	3.2
862.28424	2.3
863.27704	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	863.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31606	0.6
81.07068	0.7
97.77790	0.5
137.06047	1.3
137.49149	0.4
167.07118	1.4
175.03667	26.1
176.04257	1.1
177.05435	0.8
181.05061	0.6
189.05315	1.7
203.03340	0.6
204.03943	1.3
205.04720	32.2
206.05153	1.0
218.05637	0.6
219.06543	0.6
232.07251	0.7
262.34744	0.5
287.05560	1.0
332.02579	0.5
371.63760	0.5
409.12595	0.7
411.15005	0.5
438.12863	1.3
439.13684	2.8
440.14465	2.0
453.14987	2.5
455.16788	3.8
485.18622	0.8
635.21045	0.7
637.22699	0.5
638.23413	1.8
666.22467	0.7
833.29077	0.7
863.30890	100.0
864.31213	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	863.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
74.83321	0.6
87.22173	0.6
91.05486	0.8
98.22603	1.2
104.85341	0.6
107.08674	0.6
107.86743	0.6
137.06052	1.5
163.07715	0.6
167.07109	2.2
175.03676	18.5
176.04440	0.7
181.05011	1.0
204.03928	1.1
205.04723	31.1
206.05095	0.8
218.05519	1.1
219.06299	1.0
232.07127	1.6
410.13446	0.8
412.15448	0.8
415.13519	1.2
429.15256	0.8
438.12936	1.0
439.13672	2.5
440.14365	1.1
453.15250	3.0
570.72296	0.7
581.60669	0.7
637.22925	0.8
666.23285	1.2
812.25098	0.8
863.30896	100.0
864.31201	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	863.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
82.17043	0.5
98.22596	1.5
137.66771	0.5
186.22983	0.5
228.76541	0.5
244.55092	0.5
270.36868	0.5
328.86212	0.6
346.59064	0.6
377.98022	0.5
477.50635	0.6
494.45181	0.5
534.74078	0.6
535.26465	0.6
585.26825	0.7
704.83429	0.6
848.46863	0.7
849.52570	0.5
863.49170	100.0
864.49573	16.2
866.34088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	7.9
66.04729	0.7
67.05510	2.7
68.99802	0.6
69.03435	1.8
71.01356	0.8
77.03940	0.5
78.04713	1.2
79.05494	4.3
81.03397	1.6
81.07068	0.7
82.04196	2.3
85.02905	4.0
91.05482	6.8
92.06253	0.6
93.03424	2.1
94.04202	0.4
95.04974	3.9
97.02898	0.5
97.06529	1.8
101.02368	0.3
102.04741	0.5
103.05466	6.4
105.03389	2.0
105.04542	0.4
105.07034	1.8
106.04183	1.0
107.04961	7.4
107.05681	0.4
108.02100	1.4
109.06513	2.3
110.03664	3.4
111.04452	1.9
115.05450	5.3
116.06255	0.5
117.07015	6.8
118.04144	1.8
119.04977	2.4
119.08585	0.7
120.05732	1.1
121.02857	0.5
121.06587	0.7
122.03663	1.2
123.00809	0.4
123.04427	5.3
124.05252	1.8
125.02392	0.6
125.05996	3.4
127.00231	0.4
127.05426	0.8
128.06244	0.6
129.07004	0.8
130.04150	0.7
131.04921	5.7
132.05679	0.7
133.02850	2.6
133.06500	2.1
134.03615	0.5
135.04451	1.5
136.05202	0.4
137.02377	0.4
137.05978	8.2
138.03145	2.0
139.03883	0.7
140.04680	1.1
141.01823	0.4
142.02623	2.8
143.04955	1.2
144.05704	0.5
145.06496	10.3
146.03635	0.6
146.06868	0.5
147.04431	2.3
147.08025	1.2
148.05200	4.8
149.06009	1.6
151.03923	1.9
151.04910	0.4
151.07545	2.0
152.04686	1.4
153.05472	6.2
154.06174	1.0
155.06018	3.7
155.07091	1.4
158.03584	0.4
159.04417	0.8
159.07924	0.3
160.05212	1.2
161.06001	2.6
163.03905	1.1
163.07526	4.7
164.04794	0.3
165.05493	9.1
165.06830	0.4
166.06203	1.1
167.07043	48.6
168.07390	1.1
171.04384	1.1
171.06532	4.7
173.05984	15.3
174.06660	0.8
175.03864	0.5
175.07484	2.1
176.04736	0.7
177.05510	1.6
177.09076	0.4
178.06134	0.4
179.07021	1.8
180.04155	0.9
180.07813	1.3
181.04956	100.0
182.05312	2.6
183.06586	0.4
184.05193	0.4
185.06046	0.8
187.07440	0.5
188.04727	0.6
189.05481	1.3
190.06184	1.1
191.07030	11.5
192.07466	0.5
193.04961	3.4
193.08598	0.8
194.07343	0.4
195.06570	2.4
195.08055	0.6
197.08029	1.1
199.07561	0.6
200.04596	0.5
201.05484	1.1
203.06999	3.2
204.07658	0.5
205.04909	1.2
205.06651	0.7
205.08557	3.9
207.06512	5.2
207.08212	0.8
207.10037	0.7
208.07271	2.1
209.07954	1.1
213.05492	0.7
215.06906	0.4
217.08574	1.3
219.06488	1.4
219.08240	0.8
220.07286	2.5
221.05992	0.9
221.08150	0.9
222.06688	0.7
223.05838	1.5
224.08362	0.4
225.05350	0.7
225.07561	12.4
225.09711	0.7
226.08200	1.2
229.08559	0.4
231.06369	1.6
233.06056	0.5
233.08078	7.1
234.06705	0.8
234.08794	0.9
235.07512	1.0
235.09642	6.0
237.05489	0.5
237.09061	0.4
239.07060	0.7
241.08604	0.5
247.07504	0.7
249.05521	0.7
250.06161	0.7
251.06857	0.8
252.07719	0.7
254.09378	0.5
257.08099	0.4
263.06805	0.8
263.09174	0.9
264.07828	0.9
265.05585	0.3
265.08621	1.1
266.05408	0.3
266.08722	0.3
267.06589	0.7
267.10040	0.9
275.06973	0.5
278.05884	0.4
279.06476	1.0
279.10223	0.5
280.07199	0.4
281.08060	0.3
283.09622	0.5
291.10016	0.5
292.07175	0.7
293.07983	1.0
294.08762	0.8
295.09393	0.6
297.07480	0.4
297.11044	0.7
299.09134	0.7
307.09671	0.7
308.06723	0.4
308.10138	0.5
309.07605	0.7
309.11029	0.7
310.08237	0.9
311.09015	0.9
313.10635	0.4
317.10251	0.4
321.07684	0.5
322.08243	0.6
323.09048	0.9
324.09879	0.4
325.10678	1.9
327.08694	0.4
329.10114	0.7
329.13684	0.6
337.10608	0.8
339.08539	0.4
339.12259	0.4
342.10800	0.7
343.11548	1.2
348.21875	0.4
351.12097	0.4
353.10031	1.1
355.11703	1.7
357.09583	0.5
357.13333	3.6
358.13586	0.4
359.11377	1.7
365.10016	0.4
367.11597	0.8
369.13028	0.8
373.12531	0.6
379.11856	0.6
381.13422	0.5
383.10980	0.6
385.12811	21.0
386.13297	2.9
387.14328	3.5
397.12872	2.2
398.13211	1.0
399.14200	0.9
403.75629	0.5
405.11508	0.6
415.13782	2.5
416.14670	7.2
417.15411	10.2
418.15576	0.8
425.12131	0.4
429.15152	0.4
561.17651	0.6
579.18250	0.7
581.20667	0.5
609.19519	0.9
611.21313	3.8
612.21136	0.6
641.22272	41.4
642.12665	0.5
642.22540	5.1
778.88477	0.4
782.71661	0.3
817.26099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.1
61.36683	1.0
65.03934	3.4
67.05508	17.5
69.03429	12.7
69.07076	7.3
70.06603	2.3
71.01368	3.0
71.04995	22.8
71.31860	1.4
73.02919	2.9
74.20239	1.0
75.04485	1.1
78.46732	1.0
79.05492	9.6
81.03415	5.3
81.07053	23.7
83.04983	68.8
83.08644	3.2
84.05325	1.5
85.02906	54.4
85.06532	1.8
86.09690	1.4
86.61337	1.2
87.04466	3.5
91.05480	18.4
93.07042	23.2
95.01324	12.4
95.04967	17.5
95.08609	54.1
97.02883	2.2
97.06535	5.2
97.10155	1.6
99.04456	10.5
101.06032	3.3
103.05472	1.3
105.07028	38.8
106.07398	1.6
107.08595	27.5
109.06522	6.1
109.10162	17.1
111.04444	63.6
111.08079	2.9
111.11768	1.2
112.04835	1.4
113.02367	2.2
113.05997	8.0
115.05479	2.4
117.05492	3.8
117.07026	6.9
119.08579	56.2
120.08906	1.3
121.06512	6.6
121.10146	16.0
123.08083	7.9
123.11752	5.4
125.06001	3.0
127.03915	2.2
128.06210	2.2
129.05475	36.0
129.06923	5.6
131.08566	24.7
133.06483	2.8
133.10136	28.5
133.99849	1.1
134.10472	1.3
135.08075	7.3
135.11679	8.2
137.05978	2.3
137.09654	4.7
137.13300	2.9
139.07527	1.4
141.01831	15.9
141.06927	3.2
141.09134	1.6
142.07765	3.2
143.08554	14.9
144.09319	1.4
145.06511	2.0
145.10115	42.3
146.10605	1.3
147.08054	9.5
147.11679	14.9
149.09579	5.7
149.13275	8.3
151.11169	1.3
153.05479	2.2
155.08563	7.3
156.09337	3.7
157.10126	19.1
158.10945	2.1
159.02953	1.9
159.08043	2.3
159.11687	25.5
161.09579	6.5
161.13239	14.5
163.07533	1.6
163.11226	3.3
163.14836	6.8
167.07054	2.1
167.08559	2.1
169.10123	7.5
170.10898	1.8
171.06528	75.4
171.11685	13.6
172.06906	2.7
172.12196	1.3
173.08170	2.0
173.09637	2.4
173.13268	19.4
175.11215	4.1
175.14815	13.4
177.12770	3.1
177.16467	4.9
179.06917	1.1
179.14265	1.4
181.05008	2.3
181.10088	1.8
182.10921	2.2
183.11653	6.1
184.12534	1.3
185.13254	15.5
187.11241	2.4
187.14818	53.1
188.15175	2.7
189.07588	43.0
189.12746	10.4
189.16367	10.8
189.47566	1.4
191.14410	5.5
195.11740	3.4
196.12407	1.4
197.13278	9.4
199.14790	16.5
201.12773	3.5
201.16383	20.0
203.14313	45.6
203.17957	5.0
204.14633	2.0
205.15923	11.9
209.13283	2.7
211.14816	4.5
212.15318	1.3
213.16385	13.3
215.14392	8.4
215.17993	5.0
217.15866	13.0
217.19365	1.7
219.13846	1.9
219.17471	3.5
221.13353	2.2
221.15343	2.5
223.14812	2.5
225.16351	4.3
227.14337	1.9
227.17982	4.8
229.15884	9.1
229.19545	1.4
230.59877	1.2
231.13850	1.6
231.17477	8.4
233.15344	4.4
237.16354	2.0
239.14156	1.3
239.18004	4.1
241.19560	2.4
243.17505	2.6
245.15591	1.8
245.18799	1.7
247.16974	4.5
251.18083	1.3
253.19540	2.1
255.21164	1.8
257.18921	1.8
259.17093	1.8
267.21078	1.8
283.20578	1.3
287.05408	2.2
291.21072	1.8
293.22528	1.4
299.20184	1.4
307.24069	1.6
347.09821	3.5
365.28339	1.3
373.28659	1.4
375.30814	1.6
385.28979	3.6
391.29858	3.6
393.31561	1.5
403.29956	9.3
405.31372	5.2
409.31232	1.7
413.28674	1.7
419.29608	2.2
421.30975	11.9
423.32498	4.3
431.29300	3.8
437.30444	5.2
439.32053	4.2
449.30505	12.1
450.30655	1.5
455.31549	100.0
456.31845	8.6
467.31567	23.7
468.31613	1.3
485.32645	57.1
486.33029	5.3
503.33698	22.7
504.33786	1.6
513.31921	2.8
548.20715	3.2
595.36182	3.4
613.37506	1.8
643.34540	10.6
655.38043	1.5
679.36322	2.1
691.40234	2.3
715.41431	1.3
867.28741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.9
65.55429	0.9
69.03409	1.1
79.05500	3.6
81.07056	1.2
81.61839	1.0
82.04194	1.0
85.02938	1.1
91.05488	2.7
93.03468	0.9
95.04969	1.6
97.06553	0.9
98.23383	1.9
103.05494	2.8
105.07040	1.2
107.04935	6.7
109.06477	1.2
115.05442	2.2
115.85202	0.8
117.06977	1.1
123.04431	2.0
124.05184	1.3
125.05974	1.3
129.07021	3.6
130.19341	1.0
131.04935	2.0
131.08565	2.3
133.02818	1.0
137.06015	3.0
138.03032	1.0
140.45549	0.9
144.05692	2.0
145.06505	6.0
147.04401	1.3
148.05171	1.1
149.05914	1.6
153.05446	1.6
155.06027	1.2
156.05675	2.1
157.05318	0.8
157.06511	3.0
158.07326	2.3
159.04356	1.3
159.08038	2.8
163.07547	1.8
165.05524	2.2
165.06859	1.1
166.29050	0.8
167.05597	1.5
167.07028	19.2
167.08363	1.6
171.06621	2.4
171.08133	1.4
173.05988	3.8
174.06737	4.5
175.07536	1.1
176.04503	0.9
177.05486	2.7
178.07794	0.9
179.07062	1.6
180.07735	0.9
181.04950	28.5
181.08536	1.1
184.05125	1.2
185.06033	1.1
187.07529	2.8
189.06982	1.5
189.09148	3.6
190.06195	0.9
190.07806	1.4
191.07062	4.8
191.08543	1.5
192.09457	1.0
193.06601	1.0
194.07249	2.0
195.06479	1.7
198.06755	1.6
199.07680	1.3
201.05586	1.4
202.06207	2.3
202.07864	2.2
203.06952	1.8
203.08655	2.5
205.06519	4.7
205.08560	2.2
206.07254	4.1
207.08081	3.6
215.06848	1.1
217.06631	1.5
217.08548	9.7
218.07291	4.4
219.08182	7.4
219.10088	2.0
221.05956	3.0
221.09688	1.8
222.06789	3.9
223.07610	2.2
225.05634	1.0
225.07613	3.3
226.06125	1.2
231.08090	5.9
232.08862	1.7
233.06079	6.0
233.07970	1.6
233.09833	1.7
234.06740	12.7
235.07545	9.5
235.09666	3.0
236.08061	1.6
237.08965	4.6
239.07127	1.2
241.08583	4.2
246.06766	3.0
247.07544	8.4
247.09747	2.7
248.08209	5.6
249.05449	5.3
249.09094	10.4
249.11337	1.5
250.06271	9.1
250.08807	1.1
250.09259	0.8
251.07071	4.2
253.08664	1.3
255.06752	1.4
258.06723	1.6
259.07513	2.9
260.08356	2.4
261.05463	2.6
261.08929	4.2
262.06308	7.4
262.08813	1.1
263.07004	13.0
264.07703	6.9
265.08560	13.1
267.06400	1.5
267.10129	1.8
269.07999	1.1
271.05933	1.7
273.05228	1.1
274.06171	2.1
275.06985	6.5
276.07770	11.0
277.05011	3.4
277.08609	16.3
278.06113	1.7
278.09250	4.1
279.06506	4.8
279.10181	6.6
281.08044	5.3
281.11179	1.1
282.08774	3.5
283.09555	1.7
286.08319	2.0
288.07846	3.6
289.08548	2.6
290.05695	1.4
290.09241	1.4
291.06561	6.0
291.10004	2.1
292.07297	6.9
293.08078	17.1
293.11356	1.5
294.08728	5.8
295.09622	3.7
297.11203	2.2
304.07391	5.4
305.08035	9.0
305.11371	1.3
306.08829	8.5
307.06277	1.4
307.09561	12.0
308.06830	1.2
308.10312	2.2
309.07498	6.2
309.11224	4.9
310.08298	1.8
311.09250	1.6
318.08902	1.2
319.09631	2.6
321.07800	2.2
321.11258	4.0
322.08392	4.6
322.11795	1.8
323.09055	5.5
324.09814	5.8
325.10608	12.8
326.11404	1.7
329.10123	10.9
334.08301	2.8
335.09091	3.2
336.09821	1.1
337.10648	24.8
338.11197	5.2
339.12213	2.3
341.13803	1.1
349.10675	4.4
350.11563	1.7
351.08383	1.4
351.12274	2.2
353.10162	3.5
353.14066	1.5
354.11060	1.5
355.11743	65.7
356.12195	6.1
357.13260	4.6
366.11084	1.2
367.11731	4.0
368.12601	3.2
369.13287	9.4
371.15088	1.4
381.13312	9.3
382.14075	1.7
385.12863	4.9
387.14340	6.2
388.15363	1.3
399.14362	100.0
400.14786	12.1
417.15506	3.3
431.17068	1.8
441.15500	9.6
443.17126	1.7
473.18060	8.8
550.76062	1.0
583.21588	1.1
593.19885	2.4
595.21899	5.5
607.21710	3.7
613.22772	5.9
625.22797	9.0
643.23267	1.1
702.37561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03954	1.2
67.05505	5.3
68.13731	0.6
69.03433	21.0
69.07070	1.3
69.78584	1.6
69.79001	1.7
71.01357	2.9
71.05000	8.9
73.02924	6.8
75.04477	1.1
79.05485	1.5
81.03425	3.8
81.07070	1.9
83.04984	49.0
84.05306	0.9
85.02907	100.0
86.03240	0.9
86.58246	0.6
87.04465	3.4
91.05489	2.7
93.03384	0.6
93.07047	2.5
95.04967	3.6
95.08614	16.1
97.02894	32.2
99.04464	6.7
101.06015	1.5
105.07063	4.5
107.04934	0.8
107.08585	2.2
109.02886	1.3
109.06441	1.2
109.10143	2.2
111.04449	53.3
112.04791	1.1
113.02365	0.9
113.06026	5.4
115.03935	8.8
117.05516	4.2
117.07031	1.3
119.08566	3.9
121.06496	2.0
121.10147	2.1
125.05981	0.9
127.03918	7.3
129.05482	26.9
130.05801	1.1
130.53090	0.7
131.08563	2.5
133.06505	1.1
133.10149	2.0
135.08067	0.7
135.11755	0.9
137.06015	0.9
137.09592	4.1
139.03938	1.2
141.05450	0.6
143.03427	1.2
143.08578	2.2
145.10146	3.3
147.06551	1.5
147.08081	3.3
147.11723	0.7
151.07469	1.2
153.05447	2.0
155.08556	0.8
157.04918	1.1
157.10126	2.1
159.07996	0.9
159.11658	2.7
161.05980	1.1
161.09605	2.5
161.13193	1.1
163.03799	0.8
163.14847	0.8
167.06912	0.9
169.05084	0.7
170.10857	0.7
171.06529	85.0
171.11642	1.9
172.06866	2.4
173.09750	0.7
173.13243	2.0
175.06015	2.9
177.12851	0.6
179.07024	1.2
179.14236	0.8
181.08656	0.7
183.11707	0.8
185.13263	0.8
187.06068	1.1
187.11079	1.0
187.14819	1.9
187.90645	0.7
189.07588	70.9
189.12708	1.9
190.07913	2.2
191.14297	2.8
195.06488	1.1
197.13246	1.1
199.06026	1.6
199.11099	0.8
201.12642	1.1
203.05452	1.0
203.14313	18.2
204.14645	1.4
205.15901	1.9
207.06580	0.7
215.14363	1.2
217.15909	3.0
225.07631	7.0
227.17912	0.9
229.15843	1.9
243.08693	7.1
261.09714	12.1
285.09680	1.0
286.10236	0.7
287.05490	0.8
303.10730	2.0
321.11774	1.1
389.28564	1.2
405.28064	1.1
407.29190	1.4
409.31128	5.2
410.31137	0.8
421.27182	1.0
423.28998	9.4
424.29306	1.3
433.27457	0.8
435.28479	0.7
441.30002	1.6
451.28497	3.8
453.30029	10.2
467.27911	3.6
471.31140	12.5
472.31363	1.5
497.28961	5.2
515.30035	28.6
516.30408	3.9
533.31116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.3
66.16469	0.7
67.05508	6.4
69.03426	5.8
69.07072	3.4
70.06600	1.5
71.01339	0.9
71.04996	43.7
75.04476	2.9
79.05502	4.5
81.03405	1.2
81.07053	9.4
83.04984	46.6
83.08611	0.9
84.05309	0.9
85.02910	30.3
85.03434	1.5
87.04470	6.5
91.05490	6.5
93.07059	8.4
94.06619	0.7
95.04984	4.9
95.07364	0.9
95.08610	20.8
96.08126	1.0
97.02901	2.0
97.06544	2.1
97.10155	0.8
98.23313	1.4
99.04444	2.2
100.17104	0.7
101.06004	1.7
103.05521	1.7
105.07032	13.7
106.07329	1.7
107.08591	10.6
108.08118	1.4
109.06521	1.9
109.10160	6.7
110.09702	1.5
111.04445	58.6
111.08055	1.2
111.61834	0.7
111.92857	0.7
112.04749	1.9
113.06010	16.5
115.03936	3.7
115.05431	1.2
117.05501	7.5
117.06998	2.7
119.08583	22.7
120.08145	1.1
121.06510	2.4
121.10140	6.9
123.08080	2.6
123.11682	1.4
125.05989	0.8
127.03910	3.8
129.05481	64.9
129.07034	2.5
131.04930	1.3
131.08589	9.1
133.06476	1.8
133.10136	8.7
135.08064	2.9
135.11682	4.1
136.07527	1.0
137.05991	0.9
137.09554	0.9
138.09103	1.5
142.07814	1.4
143.08569	5.8
145.10129	16.9
147.08032	2.7
147.11684	6.0
149.09616	1.9
149.13286	2.7
151.11255	0.9
153.05440	1.4
155.08591	1.9
156.09322	1.1
157.10100	6.9
159.11710	9.3
161.06018	1.6
161.09622	2.8
161.13254	6.2
163.07571	1.1
163.11169	1.2
163.14842	2.5
166.08649	2.5
167.07048	2.9
168.07397	1.1
169.10120	2.3
171.06532	36.3
171.11665	4.1
172.06798	0.9
173.06044	0.9
173.09575	1.6
173.13245	7.8
175.11261	1.4
175.14816	5.5
177.12750	1.4
177.16403	2.2
179.14278	1.2
181.04991	1.5
183.11734	2.4
184.12419	1.0
185.13274	4.5
187.14822	22.4
189.07588	100.0
189.12651	4.4
189.16374	4.2
190.07944	2.2
191.06992	2.9
191.14323	1.8
193.08530	1.0
195.11641	1.2
197.13229	2.4
199.14833	6.6
201.12794	1.1
201.16386	8.7
203.14317	17.7
203.15817	0.6
203.17995	2.1
203.68369	0.8
204.06526	1.1
205.15927	3.7
211.14793	1.2
213.16377	6.2
215.14293	3.2
215.17944	1.7
217.15872	5.6
219.13731	0.7
219.17525	1.4
221.15414	1.3
225.16420	0.9
227.17812	1.8
229.15933	1.9
231.13791	1.0
231.17386	2.5
233.15419	1.8
237.16499	0.8
247.16971	1.9
252.12292	1.2
253.19563	1.4
264.12265	1.5
270.71588	0.8
271.17151	0.7
280.11682	1.0
292.11810	1.1
309.12009	0.9
333.11667	1.7
391.29993	1.6
393.31531	1.1
403.29556	3.9
405.32025	1.6
421.30801	5.2
423.32611	2.4
431.29355	1.2
437.30264	2.1
439.32498	1.7
449.30573	5.7
455.31570	39.7
456.31723	2.2
467.31683	9.9
474.17468	1.2
485.32645	50.6
486.32632	3.7
503.33682	27.5
504.33829	2.4
521.34888	4.0
523.22650	0.8
534.22125	1.1
535.22858	1.0
536.23108	1.9
548.20831	1.2
549.21179	2.8
595.35809	0.9
647.25977	1.6
673.39166	1.8
682.26654	1.2
691.40253	2.6
714.29395	4.2
871.44897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.4
63.04750	0.3
63.74013	0.3
69.03435	0.5
69.90184	0.3
70.06609	0.5
70.67746	0.5
70.68103	0.6
76.51772	0.3
77.03965	0.3
79.05496	5.1
81.03429	1.6
81.88215	0.3
85.02914	0.6
87.02640	0.3
89.03918	3.3
90.04733	0.7
91.05482	1.9
95.04954	0.6
96.05659	0.3
97.02879	0.7
99.04414	0.4
103.05476	5.5
105.07037	53.2
106.07367	1.2
107.04945	0.4
108.65154	0.3
109.02917	0.6
115.05460	11.2
116.05848	0.3
117.03384	7.2
118.04165	3.8
119.27499	0.3
131.04907	1.7
132.05701	0.5
133.06499	52.5
134.03618	0.4
134.06802	1.7
135.04440	0.8
143.04930	1.4
143.06061	5.1
145.02856	22.1
146.03209	0.7
149.05969	3.4
161.05986	100.0
162.06331	3.3
177.05479	43.7
178.05850	1.4
193.08615	76.6
194.08971	2.6
195.06520	1.4
234.25117	0.3
263.09067	0.3
269.73709	0.3
296.03339	0.3
312.51248	0.3
321.09766	1.4
339.10645	3.1
367.12589	0.4
369.13348	0.4
484.49905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.507
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58069	1.0
71.32360	1.5
98.53434	1.0
116.12143	1.0
202.88185	0.9
215.99199	0.9
223.84061	0.9
229.08557	0.9
323.49051	1.0
389.94766	1.0
503.83160	0.9
516.35187	0.9
726.75165	1.1
877.50720	100.0
878.50983	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	878.474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.5
67.05499	12.7
69.03438	15.9
69.07072	10.7
69.87370	7.0
69.87767	5.6
70.06593	9.4
71.04977	2.8
72.08127	3.1
75.67183	2.7
79.05497	13.6
81.03443	6.6
81.07063	26.8
83.04980	3.6
83.08623	3.1
84.08133	3.3
85.02906	68.0
86.09714	4.0
91.05473	27.4
93.07053	29.2
94.68702	2.9
95.04969	10.3
95.08603	33.0
97.02872	21.0
97.06560	3.9
99.04481	4.3
105.07029	67.5
107.04987	4.2
107.08590	26.1
109.02870	9.6
109.06532	5.2
109.10168	13.8
111.04447	3.5
114.58486	3.0
115.05412	4.6
117.06984	14.7
119.04961	3.4
119.08571	54.1
120.08952	2.9
121.06509	17.1
121.10166	16.0
123.11759	4.2
127.03928	11.1
128.06212	5.8
129.06990	10.8
129.10231	3.1
131.04916	3.6
131.08577	71.6
133.06541	10.1
133.10132	31.4
135.08029	14.4
135.11697	6.4
135.30049	2.8
137.06036	4.0
141.06987	2.9
142.07793	8.5
143.08571	44.1
145.04977	11.4
145.06540	3.8
145.10124	100.0
147.08046	22.7
147.11662	19.4
149.09648	4.6
149.13289	7.0
155.08534	11.1
156.09378	7.2
157.10115	59.3
158.10928	4.9
159.08040	8.1
159.11699	63.5
161.06050	7.4
161.09642	27.4
161.13289	24.9
163.03876	4.0
163.06087	4.4
163.11215	7.3
163.14899	4.1
165.05504	8.0
165.09079	3.4
167.07080	3.8
168.09306	4.1
169.10098	19.4
170.10930	5.6
171.11700	41.4
173.09601	6.5
173.13261	80.2
175.11237	9.5
175.14839	23.4
177.05548	3.0
177.12747	4.0
177.16319	3.6
181.10077	6.4
182.10982	3.3
183.10118	5.1
183.11665	37.4
185.13258	82.1
186.13686	3.6
187.11208	5.0
187.14825	62.0
189.12729	45.5
189.16394	5.3
191.14330	17.9
193.08621	3.6
193.15965	5.0
195.11691	5.8
197.13239	22.9
199.11124	4.3
199.14839	60.0
201.12720	24.2
201.16379	23.0
203.14304	65.0
204.14554	3.2
205.15897	8.4
209.13318	8.0
211.14798	12.6
213.12677	4.4
213.16347	16.1
215.14334	23.0
217.12320	3.5
217.15880	24.9
219.11948	3.5
219.13756	17.3
219.17343	3.4
221.15291	24.0
223.14859	6.0
225.16406	6.2
227.14316	6.8
227.17934	7.2
229.15891	12.1
231.13802	6.0
233.15504	6.3
239.17912	4.6
245.15402	7.6
247.16908	5.7
253.19695	3.3
263.16473	6.1
265.19489	3.6
359.26968	3.1
389.28394	16.1
391.29718	6.8
401.28387	15.4
405.27661	4.5
407.29620	25.8
409.30847	3.5
417.27829	9.9
419.29523	22.4
420.29871	3.7
425.30447	12.3
435.28955	51.7
437.30438	22.9
447.28967	23.2
453.30026	52.7
455.31516	10.1
465.30020	46.1
466.30096	4.2
471.30899	32.0
473.32565	5.7
483.31058	57.5
484.31369	8.6
491.33594	10.1
501.32047	93.1
502.32205	11.2
519.33075	39.4
537.34058	13.1
538.34125	4.0
663.36731	16.7
681.38293	5.7
791.63623	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	878.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.5
67.05505	13.2
69.03431	19.3
69.07075	9.1
70.06593	2.5
71.05000	3.5
71.30980	1.6
73.02896	1.3
79.05485	14.5
79.09888	1.4
81.02995	1.5
81.03413	7.7
81.07057	26.4
83.04996	3.8
83.08609	3.7
84.08144	1.5
85.02902	69.2
86.09703	1.8
91.03977	1.4
91.05480	27.7
92.05795	1.5
93.07048	28.1
95.04965	9.1
95.08606	29.1
97.02893	21.4
97.06544	5.7
97.10159	1.3
99.04443	3.4
99.08063	1.7
105.07029	67.5
107.04925	2.4
107.08598	29.1
107.09282	2.9
109.02907	5.7
109.06550	6.8
109.10155	14.3
111.08089	3.6
113.06019	3.2
115.05486	4.3
116.06177	1.3
117.07023	13.5
119.04956	2.6
119.08578	64.7
120.08909	1.6
121.06505	18.0
121.10148	17.3
123.08077	8.2
123.11707	3.3
127.03917	12.3
128.06177	6.8
129.07001	13.0
130.07771	2.8
131.08562	78.8
132.08943	2.6
133.06528	8.0
133.10117	29.4
133.11043	2.4
135.08072	17.9
135.11670	10.8
137.05943	2.6
137.09624	3.4
139.07547	1.7
141.06998	4.0
142.07773	9.9
143.08562	48.7
144.09338	5.7
145.04979	15.6
145.06534	3.0
145.10121	100.0
146.10495	4.3
147.08052	21.8
147.11684	21.3
149.06018	2.3
149.09633	7.4
149.13301	6.4
153.06953	2.4
155.08543	14.8
156.09367	11.0
157.10124	52.8
157.11426	2.6
158.10797	5.1
159.08122	7.4
159.11690	53.5
159.12982	2.6
161.05949	2.8
161.09627	29.6
161.13272	21.7
162.10005	2.1
163.06000	3.8
163.07443	2.8
163.11197	5.2
163.14850	4.4
165.05452	6.5
165.09117	1.7
167.07118	3.2
167.08493	2.4
168.09360	2.7
169.10112	22.2
170.10968	7.4
171.08069	2.1
171.11694	35.4
172.12299	2.1
173.09619	9.0
173.13258	82.8
174.13618	3.9
175.07635	1.8
175.11159	9.2
175.14822	21.5
177.05516	1.5
177.12796	5.8
177.16414	2.5
179.14357	2.7
181.10165	4.2
182.10861	3.6
183.11678	31.7
184.12181	2.3
185.09760	3.3
185.13255	83.9
186.13676	2.9
187.11168	8.2
187.14813	65.0
188.15196	3.2
189.12747	49.2
189.16322	7.9
191.14299	19.3
193.08586	2.4
193.10138	2.1
194.11000	1.7
195.11746	6.1
196.12541	1.6
197.13245	20.8
198.13753	1.4
199.11119	4.2
199.14819	63.4
200.15204	3.2
201.12746	26.0
201.16397	25.8
202.12938	1.6
202.96277	1.4
203.14311	76.6
204.14723	2.5
205.12270	1.5
205.15872	6.6
207.06494	2.9
207.11711	2.5
207.13768	2.7
209.13261	8.4
211.14799	12.5
213.12801	6.6
213.16328	14.0
215.14301	18.5
215.17950	4.6
217.12332	2.1
217.15852	27.4
219.11880	2.6
219.13795	18.8
219.17441	2.7
221.13301	3.4
221.15346	29.8
223.14838	4.4
223.16920	1.5
225.16345	6.2
227.14299	4.4
227.17993	5.9
229.15854	13.9
231.13881	6.6
231.17482	3.4
233.15349	4.4
235.16846	1.8
237.14642	2.3
237.16640	2.6
239.14227	2.1
239.17999	4.2
241.15796	1.8
241.19641	2.4
243.17490	3.7
245.13284	1.6
245.15344	8.6
247.16978	3.5
253.19666	1.9
255.17416	3.0
261.18631	2.0
263.16443	4.4
265.19611	3.1
267.17471	2.2
277.19492	1.6
281.19107	2.2
285.22043	1.6
289.19403	1.8
305.22638	2.6
307.20584	1.6
347.23871	1.8
371.27219	4.1
373.29022	2.9
377.28119	2.7
383.27338	3.3
385.28799	1.7
389.28415	21.8
391.29822	9.1
401.28375	10.5
403.29913	2.6
405.27679	4.0
407.29492	24.1
408.29861	3.7
409.30954	2.9
417.27798	9.4
419.29434	20.3
421.31003	5.1
423.29071	1.8
425.30447	12.3
429.27591	3.2
435.28952	60.8
436.29224	4.4
437.30511	18.9
447.28873	17.9
448.29141	3.0
453.30023	46.1
454.30191	4.4
455.31631	13.5
456.31830	1.5
465.30002	47.4
466.30411	5.7
471.31055	32.0
472.31491	2.6
473.32541	8.2
483.31027	59.0
484.31500	6.4
491.33621	9.7
501.32101	87.4
502.32404	8.6
512.33325	1.5
519.25598	3.0
519.33173	41.7
520.33649	3.4
537.34235	13.9
599.57062	1.4
663.37109	19.5
664.37732	2.3
681.38037	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	881.4866
Annotation	Carriebowmide
Peak:m/z	Relative Intensity
61.02931	6.0
62.48444	0.4
67.05512	3.2
69.03436	4.0
69.07078	0.8
71.05017	0.5
73.02918	4.6
74.74972	0.3
79.05489	2.5
81.03423	1.7
81.07064	3.9
83.04991	0.4
85.02905	6.9
85.06574	0.5
91.03968	3.8
91.05492	1.7
93.07042	1.8
95.08635	1.6
97.02907	5.5
99.04481	0.9
101.02389	1.9
105.07061	1.7
107.08598	1.2
109.02908	1.1
109.10206	0.9
118.98387	0.3
119.08598	0.7
121.10178	1.1
123.11732	0.5
127.03943	1.5
131.08615	0.7
135.11732	0.6
145.10178	0.5
147.11752	1.2
169.45583	0.4
185.04280	0.8
203.05290	0.9
207.79137	0.4
239.16505	0.8
243.08389	2.2
250.32718	0.4
347.09335	2.0
365.10815	1.5
405.13608	5.1
437.95782	0.4
441.20926	4.3
468.36954	0.4
483.33087	0.5
519.29291	4.4
603.26160	7.1
604.26190	0.4
681.34491	6.2
682.35229	0.6
719.43744	1.4
824.90033	0.4
881.48651	100.0
882.48993	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	881.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.1
61.17430	0.5
67.05515	3.1
69.03432	3.4
69.04715	1.3
69.05128	3.1
69.07081	0.7
71.05008	1.1
73.02918	4.4
73.81602	0.4
78.14532	0.4
79.05497	2.9
81.03429	1.8
81.07055	4.0
83.05020	0.7
85.02913	7.5
85.78167	0.5
87.04485	0.7
91.03949	4.8
91.05503	1.8
93.07034	2.4
95.04959	0.5
95.08639	2.7
97.02893	7.6
97.03422	0.6
98.23350	1.0
99.04478	1.1
101.02410	2.1
104.79391	0.5
105.07055	1.4
105.55767	0.4
106.41737	0.4
107.08630	0.9
109.10191	0.8
115.04024	0.5
119.08593	1.0
121.10184	0.7
123.11742	0.7
127.03957	1.9
128.31087	0.5
133.10201	0.6
135.11627	0.6
145.05042	0.7
145.10170	0.7
147.11774	1.0
153.65855	0.5
162.15488	0.5
180.14424	0.5
180.74425	0.5
185.04218	0.7
203.05318	0.8
243.08521	2.1
318.98318	0.6
335.33234	0.5
347.09525	2.4
365.10831	0.9
405.13754	5.1
438.11700	0.6
441.20801	4.0
519.29443	5.2
576.24109	0.5
578.33789	0.6
603.26483	3.2
681.34656	8.5
719.43292	1.9
881.48700	100.0
882.48846	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	885.447
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.6
67.05515	7.0
69.03422	3.5
69.07053	4.2
70.06587	2.2
71.04994	42.3
71.31518	1.4
75.04465	3.9
79.05473	5.9
81.07060	9.8
83.04983	49.8
83.08615	1.6
85.02914	23.9
86.09717	1.6
87.04461	5.6
91.05472	7.0
93.07039	9.8
95.04961	3.8
95.08612	20.3
97.02895	2.3
97.06510	1.9
99.04440	3.0
103.05427	2.1
105.07034	15.9
107.04886	1.5
107.08595	14.5
109.02859	1.7
109.06484	2.1
109.10154	9.0
111.04449	90.5
111.08076	1.4
113.02373	2.1
113.06004	17.6
115.03939	4.3
115.05436	1.2
117.05502	11.8
117.07025	4.5
119.08583	22.3
121.06512	3.4
121.10148	7.8
122.97668	1.3
123.08092	1.8
123.11696	3.6
125.06004	2.7
127.03931	4.7
128.06258	1.7
129.05484	66.1
129.06978	2.8
130.05772	3.0
131.08565	15.6
133.06516	3.3
133.10133	11.5
135.08055	4.0
135.11694	6.4
137.05969	1.9
137.09656	2.9
142.07803	1.9
143.08585	9.1
144.90784	1.2
145.10130	24.6
147.08025	4.4
147.11653	6.8
149.05992	1.5
149.09634	2.7
149.13245	2.2
151.07550	2.7
153.05443	2.6
154.17830	1.3
155.08546	3.4
156.09285	1.7
157.10092	9.4
159.08023	2.0
159.11707	9.6
161.09630	3.4
161.13290	6.6
163.07536	2.4
163.11177	1.6
163.14828	3.6
167.07109	1.4
169.10124	3.4
171.05103	2.5
171.06537	39.9
171.07993	2.9
171.11703	7.2
172.06841	1.6
173.09605	2.0
173.13254	10.7
175.11209	2.3
175.14810	6.9
177.16388	2.9
179.14359	1.8
181.04958	1.8
183.11722	5.6
185.13272	10.4
187.14830	40.6
188.15179	2.0
189.07584	100.0
189.12749	3.5
189.16371	5.8
190.07893	3.5
191.14354	3.3
197.13312	3.0
199.14819	10.1
201.16426	8.9
203.14328	32.2
205.12277	1.7
205.15836	7.7
209.13297	1.9
211.14790	2.1
213.12711	1.6
213.16374	8.4
215.14322	3.3
215.17915	1.7
217.12297	1.8
217.15833	6.5
218.15883	1.4
219.13885	2.0
223.14665	1.4
227.17993	3.8
229.15871	3.4
231.13766	2.2
233.15359	2.9
237.16333	2.0
239.17950	2.1
241.19574	2.5
243.13731	1.8
245.15408	2.4
247.17136	1.9
249.14661	2.5
253.19524	1.7
287.05368	1.9
307.24286	1.5
309.25861	2.5
353.24606	1.6
371.26877	2.8
389.28516	3.9
391.29904	2.3
405.27979	2.4
407.29498	5.4
408.29907	1.7
417.15381	1.5
417.27774	4.4
419.29553	2.5
423.28757	2.8
435.28876	8.7
437.30386	3.6
451.28143	4.3
453.29913	9.1
454.30078	1.5
455.31573	28.0
463.28571	2.9
469.29523	35.2
470.29568	3.3
481.29239	5.4
487.30341	5.8
499.30579	23.7
500.30530	1.9
517.31622	99.7
518.31915	8.9
535.32813	2.3
536.20490	3.1
609.33923	4.2
627.34937	6.2
628.34998	1.5
725.52594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.1
66.04716	0.2
70.57404	0.3
78.04713	2.0
79.05496	1.3
81.03418	0.2
81.07045	0.1
85.02921	0.4
91.05486	0.7
93.03390	0.1
93.07052	0.2
95.04964	0.5
103.05473	0.6
105.03403	0.2
105.04520	0.1
105.07036	3.5
106.04172	1.1
107.04951	1.8
109.02856	0.3
115.05435	1.1
116.06215	0.3
117.07013	1.0
118.04170	0.2
121.06517	0.4
122.03666	0.4
123.03535	0.3
123.04441	5.3
124.05227	2.1
125.05967	0.2
127.03907	0.3
128.06215	0.5
131.04936	0.2
132.05713	0.2
133.06493	3.4
134.03590	0.3
135.04414	0.4
137.05940	0.3
141.06946	0.3
143.04897	0.2
143.06032	0.3
143.08556	0.2
144.05684	0.5
145.06494	1.7
146.06975	0.1
147.04410	0.2
151.03908	1.1
152.04680	1.8
153.06895	0.2
155.06042	0.4
159.08052	0.2
161.05989	7.1
162.06352	0.2
165.05486	0.2
167.07043	100.0
168.07370	3.0
171.08049	0.7
172.05219	0.1
173.05988	1.7
179.07080	0.2
181.08623	1.3
187.07544	0.8
190.06245	0.3
191.07072	0.1
193.08611	8.2
194.08908	0.3
199.07523	1.0
205.08611	7.5
206.08969	0.3
217.08609	0.5
219.08173	0.2
219.10175	1.6
231.07869	0.3
231.10173	4.3
233.09663	0.2
249.09267	0.2
261.09085	0.3
278.09491	0.2
293.11792	0.4
307.09686	0.2
321.11252	0.5
325.14267	0.4
353.09439	0.2
353.13815	3.1
354.14304	0.2
357.13397	0.1
370.13995	0.2
385.16461	12.6
386.16910	0.9
419.64514	0.1
524.07825	0.1
547.21527	0.4
617.19568	0.1
683.37030	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	893.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.7
71.31759	0.6
72.77602	0.5
105.07059	0.5
105.58463	0.6
111.72224	0.5
119.73105	0.5
137.06024	1.8
151.07542	0.6
161.05992	0.8
167.07124	1.3
176.04485	1.1
177.05467	1.1
181.05006	1.1
189.05333	1.0
203.03267	0.6
203.07001	0.5
204.03961	1.3
205.04732	54.8
206.05167	1.9
218.05608	0.8
219.06485	0.7
231.06461	0.6
232.07169	0.9
249.07394	0.6
422.17200	0.5
425.12384	0.9
439.13879	2.2
440.14651	0.6
441.15115	0.6
442.30264	0.5
445.14844	0.5
453.15427	1.8
455.16882	1.8
666.22919	1.5
667.23883	1.4
668.24255	2.5
893.31976	100.0
894.32324	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	0.7
71.31759	0.6
72.77602	0.5
105.07059	0.5
105.58463	0.6
111.72224	0.5
119.73105	0.5
137.06024	1.8
151.07542	0.6
161.05992	0.8
167.07124	1.3
176.04485	1.1
177.05467	1.1
181.05006	1.1
189.05333	1.0
203.03267	0.6
203.07001	0.5
204.03961	1.3
205.04732	54.8
206.05167	1.9
218.05608	0.8
219.06485	0.7
231.06461	0.6
232.07169	0.9
249.07394	0.6
422.17200	0.5
425.12384	0.9
439.13879	2.2
440.14651	0.6
441.15115	0.6
442.30264	0.5
445.14844	0.5
453.15427	1.8
455.16882	1.8
666.22919	1.5
667.23883	1.4
668.24255	2.5
893.31976	100.0
894.32324	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	7.4
69.03434	36.1
69.07059	8.5
69.23308	14.1
69.23721	12.0
70.06591	10.8
79.05498	10.8
81.07072	19.8
83.08646	3.9
85.02906	16.9
86.09702	5.2
87.00834	7.0
91.05483	16.3
93.07054	16.5
95.08614	39.8
97.02885	42.6
100.61776	4.1
105.01824	4.0
105.07017	27.1
107.08594	37.7
109.10145	22.4
111.08123	4.5
115.03918	29.6
115.05475	4.5
116.27941	4.1
117.07027	7.4
119.07782	5.9
119.08579	59.2
120.08114	7.6
121.10145	32.7
122.46001	3.7
123.11706	8.9
129.06966	4.2
131.08575	27.5
133.06505	5.5
133.10139	44.1
135.08040	4.4
135.11687	13.5
137.05937	6.1
143.08574	16.4
145.10120	54.3
147.11688	21.5
149.13255	8.4
151.11208	5.5
155.08548	5.9
156.09357	7.3
157.10161	23.3
159.11703	46.2
161.05956	8.3
161.13249	23.3
163.11180	5.9
163.14789	9.3
169.10074	6.4
170.10951	8.5
171.11711	23.6
173.13286	28.9
175.14851	15.8
177.16428	15.9
183.11702	20.5
185.13293	45.3
187.14832	86.0
189.16394	29.3
191.17957	6.2
197.13226	6.8
199.14835	35.3
201.03905	20.1
201.16394	65.3
203.14284	12.1
203.17982	8.6
205.15887	43.6
207.17456	11.5
211.14722	8.4
213.16376	8.9
215.17920	13.1
217.15886	9.9
219.05011	20.1
219.17407	4.7
223.14896	6.6
223.16940	6.8
245.15337	13.3
341.93054	4.6
387.30576	13.4
389.31949	10.9
405.31509	47.3
406.31775	8.3
407.32977	22.7
423.32587	18.5
425.34103	18.3
433.31113	34.9
439.32022	8.1
441.33780	5.8
451.32080	100.0
452.32700	10.7
469.33139	80.7
470.33423	8.6
487.34113	15.7
687.37396	23.2
705.38129	7.3
902.31464	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	902.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	7.4
69.03434	36.1
69.07059	8.5
69.23308	14.1
69.23721	12.0
70.06591	10.8
79.05498	10.8
81.07072	19.8
83.08646	3.9
85.02906	16.9
86.09702	5.2
87.00834	7.0
91.05483	16.3
93.07054	16.5
95.08614	39.8
97.02885	42.6
100.61776	4.1
105.01824	4.0
105.07017	27.1
107.08594	37.7
109.10145	22.4
111.08123	4.5
115.03918	29.6
115.05475	4.5
116.27941	4.1
117.07027	7.4
119.07782	5.9
119.08579	59.2
120.08114	7.6
121.10145	32.7
122.46001	3.7
123.11706	8.9
129.06966	4.2
131.08575	27.5
133.06505	5.5
133.10139	44.1
135.08040	4.4
135.11687	13.5
137.05937	6.1
143.08574	16.4
145.10120	54.3
147.11688	21.5
149.13255	8.4
151.11208	5.5
155.08548	5.9
156.09357	7.3
157.10161	23.3
159.11703	46.2
161.05956	8.3
161.13249	23.3
163.11180	5.9
163.14789	9.3
169.10074	6.4
170.10951	8.5
171.11711	23.6
173.13286	28.9
175.14851	15.8
177.16428	15.9
183.11702	20.5
185.13293	45.3
187.14832	86.0
189.16394	29.3
191.17957	6.2
197.13226	6.8
199.14835	35.3
201.03905	20.1
201.16394	65.3
203.14284	12.1
203.17982	8.6
205.15887	43.6
207.17456	11.5
211.14722	8.4
213.16376	8.9
215.17920	13.1
217.15886	9.9
219.05011	20.1
219.17407	4.7
223.14896	6.6
223.16940	6.8
245.15337	13.3
341.93054	4.6
387.30576	13.4
389.31949	10.9
405.31509	47.3
406.31775	8.3
407.32977	22.7
423.32587	18.5
425.34103	18.3
433.31113	34.9
439.32022	8.1
441.33780	5.8
451.32080	100.0
452.32700	10.7
469.33139	80.7
470.33423	8.6
487.34113	15.7
687.37396	23.2
705.38129	7.3
902.31464	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	905.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.8
67.08037	0.3
69.03429	3.8
69.07069	0.7
69.15912	2.9
71.01365	0.4
71.05009	0.8
73.02920	4.0
79.05494	3.7
81.03439	1.5
81.07047	3.3
83.04992	0.4
85.02906	5.7
87.04475	0.5
91.03965	3.8
91.05473	2.5
93.07036	3.8
95.04967	0.8
95.08600	2.6
95.09069	0.3
96.09018	0.4
97.02893	6.4
99.04475	0.8
101.02407	2.0
103.03932	0.4
105.07069	1.4
107.08601	1.2
109.02925	0.8
109.10173	0.9
112.71662	0.4
119.08624	1.3
121.10188	1.2
127.03942	2.3
131.08641	0.5
133.10185	0.5
135.11670	0.4
145.10176	0.5
147.11742	1.0
157.07344	0.4
185.04301	0.9
203.05322	0.5
243.03487	0.4
243.08362	1.7
247.13214	1.1
303.15921	0.5
335.26001	0.9
347.09610	1.6
365.10663	0.5
405.13672	3.8
465.21027	3.9
465.26639	0.5
519.29218	3.9
519.35565	0.4
627.26337	2.9
681.34595	6.6
682.35541	0.8
734.93793	0.4
743.43811	0.9
769.58789	0.4
847.52533	1.3
905.48633	100.0
906.49066	13.8
906.67719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	17.2
68.99775	4.5
69.03432	29.3
69.07074	8.9
70.52719	3.4
70.53049	3.0
71.01345	1.5
71.04996	24.3
73.02917	4.5
75.04474	1.8
76.07983	1.3
78.98755	1.8
79.05481	12.5
81.02975	2.6
81.03421	31.9
81.07053	19.5
83.04992	20.5
83.08635	3.7
85.02904	89.1
87.00828	25.9
91.05470	16.6
93.07035	21.0
93.07619	1.8
95.04957	16.2
95.08606	46.0
97.02887	19.0
97.06529	5.2
97.10143	2.6
99.04455	11.0
99.08077	1.8
103.03948	4.5
105.01863	22.4
105.07027	36.4
107.04957	3.4
107.08595	28.6
109.02883	25.8
109.06543	5.4
109.10152	19.9
111.04436	20.4
111.08085	3.9
113.06035	3.4
115.03912	2.0
115.05481	1.7
117.07026	9.1
119.08585	59.9
121.06507	5.0
121.10152	20.8
123.04424	2.3
123.08083	8.6
123.11700	4.6
125.02316	3.4
127.03923	42.1
128.04211	1.8
128.06236	2.6
129.01849	3.7
129.05476	7.5
129.07010	4.9
130.07802	1.5
131.07584	1.6
131.08563	33.0
132.28343	1.3
133.06511	3.9
133.10132	32.6
135.04410	2.8
135.08051	8.1
135.11697	9.3
137.09628	5.2
139.03899	2.1
141.09116	1.5
142.07816	3.6
143.08557	18.7
144.09402	1.9
145.04984	7.1
145.06519	1.5
145.10135	52.5
146.10432	1.6
147.02873	3.3
147.06610	2.3
147.08069	11.1
147.11679	18.5
149.09607	5.8
149.13269	8.3
151.03856	3.0
151.07549	1.6
153.05511	2.4
155.08577	7.0
156.09343	2.2
157.04964	1.6
157.10129	19.3
158.10808	2.3
159.02904	4.8
159.08061	2.9
159.11703	27.9
160.12029	1.4
161.09619	11.0
161.13275	17.0
163.07541	2.9
163.11194	3.5
163.14844	6.4
165.09094	2.5
167.08675	2.0
168.09325	1.8
169.10100	6.9
170.10867	3.2
171.11702	15.4
172.12460	1.5
173.04555	2.4
173.09610	2.8
173.13242	25.3
175.11221	5.7
175.14821	20.4
177.12762	2.4
177.16331	6.9
179.14343	4.3
181.04971	3.3
183.11687	6.7
184.12366	1.7
185.13252	13.6
187.05994	2.2
187.11148	2.2
187.14812	71.5
188.15218	2.1
189.03993	4.4
189.12744	20.3
189.16347	11.8
191.14383	7.9
193.04974	1.6
195.11687	3.1
197.13252	7.3
199.14825	16.6
200.15207	1.6
201.12682	4.3
201.16399	33.1
202.16658	2.1
203.14313	47.6
203.17888	7.2
205.15875	10.9
209.13333	2.2
211.14902	4.9
213.03886	9.2
213.07497	2.8
213.12839	1.7
213.16368	16.0
215.14336	10.3
215.17982	5.5
217.15839	12.1
217.19444	2.5
219.13850	4.0
219.17435	5.0
221.15317	8.1
223.14873	3.1
225.16412	4.7
227.17934	7.2
229.15833	8.4
231.05034	11.9
231.17325	7.5
233.15424	3.2
235.17064	2.5
237.07634	8.3
237.16724	1.7
239.18204	3.0
241.15912	1.6
241.19592	2.8
243.21069	2.0
245.15323	2.4
247.17032	7.7
249.06065	3.3
249.18642	2.0
251.18109	1.8
253.19547	2.8
255.08653	4.7
273.06058	2.1
281.19214	1.5
281.22702	2.2
287.05399	2.0
315.10812	5.5
327.23282	2.4
341.08609	4.3
359.09613	3.6
371.25882	2.0
373.29227	3.1
375.30164	3.9
385.28848	1.9
387.30969	1.6
391.29980	12.2
393.31693	3.2
403.29913	12.6
405.31610	5.3
409.30963	8.5
419.29297	5.1
421.30978	18.8
423.32565	6.8
431.29477	3.4
437.30414	18.0
439.32114	16.8
440.32477	2.2
449.30612	19.3
455.31570	97.9
456.31985	8.5
457.32904	10.1
467.31522	31.2
468.32007	2.8
485.32620	100.0
486.33032	11.1
496.34125	2.3
503.33655	81.0
504.33954	9.0
521.34814	8.3
630.44873	1.6
715.36414	3.2
733.37964	3.1
846.75494	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.7585
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	1.1
67.05505	14.1
69.07071	7.9
69.70560	1.2
69.70975	2.1
79.05494	7.4
81.07057	26.7
83.08617	3.5
91.05483	6.2
93.07042	17.8
95.04955	1.2
95.08607	100.0
96.08912	2.5
97.06509	1.1
97.10174	2.6
98.22680	1.0
100.92538	0.5
102.20667	0.5
104.78241	0.5
105.07030	15.9
107.08595	28.7
109.06522	0.8
109.10156	21.2
111.08081	1.5
117.07039	0.9
119.08583	21.2
121.10146	20.3
123.11699	8.6
125.09603	1.5
129.07016	0.8
131.08565	4.4
133.10126	16.5
134.10524	0.7
135.11693	14.8
135.12677	1.2
137.13226	2.6
139.11201	0.7
143.08604	1.5
145.10124	8.9
147.11684	13.6
148.11943	0.6
149.13271	8.4
151.11235	0.9
151.14801	1.0
153.92615	0.5
157.10136	2.8
158.10841	1.0
159.11697	10.2
161.13263	12.7
162.26299	0.5
163.14813	12.0
165.12715	0.7
171.11739	2.5
173.13240	6.5
175.14824	11.9
176.15234	0.7
177.12865	0.6
177.16399	5.3
184.12540	0.6
185.13257	1.9
187.14806	4.6
189.16391	8.0
191.14288	1.3
191.17950	6.9
193.15817	3.0
199.14842	2.0
201.16414	10.9
202.16714	0.7
203.17953	16.0
204.18228	0.7
205.15909	2.2
205.19548	1.7
207.17351	1.0
210.02466	0.6
213.16382	2.2
215.17932	4.0
217.15935	1.2
217.19492	7.6
219.17458	7.9
219.21011	1.1
220.17747	2.8
227.17966	2.1
229.19501	3.1
231.17487	1.8
231.21112	4.0
233.19077	1.5
241.19530	2.1
243.21147	1.6
245.19112	1.5
245.22650	2.7
255.21225	1.4
257.22675	1.9
259.20572	0.7
267.21356	0.7
267.52570	0.6
269.22665	1.7
271.24194	1.3
283.24268	1.8
285.22260	0.6
285.25723	0.7
297.25870	1.6
309.25708	1.2
311.27353	5.0
365.32147	4.9
379.33774	0.7
393.35141	11.1
394.35693	1.3
405.35168	6.1
423.36218	30.3
424.36398	2.6
441.37497	2.8
441.87711	0.6
457.37091	1.0
458.37018	0.7
459.37375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87315	0.1
65.03941	0.3
66.04718	0.3
67.05507	0.9
69.03435	0.7
69.07071	0.1
69.27087	0.2
69.27511	0.3
71.04984	0.2
77.03889	0.4
78.81782	0.1
79.05495	7.0
81.03416	1.1
81.07059	0.5
83.04973	0.4
84.45515	0.1
85.02890	0.4
89.03883	0.7
90.04681	0.6
91.05479	3.1
92.02625	0.2
93.07034	0.4
95.04967	1.5
95.08592	0.4
97.02895	0.3
97.06503	0.3
98.22582	0.2
99.04464	0.4
102.04678	0.2
103.05466	6.5
104.06313	0.2
105.07029	58.1
106.07355	1.3
107.04951	2.5
107.08577	0.3
109.02876	0.5
109.06525	0.5
109.10152	4.1
110.10584	0.1
111.04442	0.3
115.05453	11.9
116.05791	0.3
117.07008	0.3
118.04156	4.2
118.05005	0.2
119.04959	0.2
119.08562	1.1
121.06523	0.3
123.04420	0.1
123.08062	0.2
125.05981	0.4
127.03877	0.1
128.06213	0.7
129.07011	0.4
131.04916	1.8
132.05728	0.8
133.06488	56.9
133.10098	1.3
134.06830	1.5
135.08073	0.1
137.09612	6.6
138.09908	0.2
143.04912	1.1
143.06041	4.8
143.07028	0.2
143.08553	1.8
144.44547	0.1
145.06406	0.2
145.10114	0.2
146.03606	0.1
146.07265	0.4
146.20279	0.1
147.06892	0.1
147.08044	2.2
149.05940	0.2
151.07413	0.1
159.08023	0.3
160.05159	0.2
161.05975	100.0
161.09584	10.4
162.06310	2.9
162.09950	0.4
163.11179	0.2
165.09109	7.0
166.09393	0.2
167.07028	0.1
171.08076	0.2
173.04500	0.1
174.06767	0.2
178.06247	0.2
179.10632	0.8
189.09091	0.9
193.08598	75.9
194.08929	2.2
197.11711	0.2
207.10155	4.9
208.10519	0.2
225.11212	2.8
243.12291	0.1
369.15283	0.4
387.16412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
65.90596	0.4
67.05470	1.2
69.03407	1.0
70.06565	0.6
70.68221	0.7
72.28455	0.3
79.05502	6.3
81.03411	1.9
81.07034	0.4
89.03898	0.8
91.05489	2.2
95.04964	1.9
95.08559	0.4
97.02822	0.5
99.04434	0.8
103.05470	6.2
105.07030	41.3
106.07349	1.5
107.04933	1.7
109.02793	0.4
109.10146	2.7
115.05461	8.0
118.04148	3.3
119.02003	0.4
119.08593	0.8
125.05943	0.4
128.06210	0.6
131.04898	1.7
132.05702	0.6
133.06493	36.0
133.10114	0.8
134.06798	0.7
137.09622	4.3
143.04974	0.8
143.06012	3.2
143.08513	0.9
147.08144	0.7
161.05981	49.5
161.09595	5.7
162.06334	2.5
163.06447	0.4
165.09074	3.1
167.03160	0.4
167.06984	0.4
173.02910	0.6
177.05557	0.4
179.10680	0.7
184.04980	3.9
185.04214	48.1
185.05472	2.0
186.04527	0.8
193.08609	11.8
194.08907	1.2
203.05264	14.3
207.10089	0.8
215.06783	8.5
261.08154	0.6
347.09485	100.0
348.09982	3.3
390.31042	0.4
409.14673	15.2
446.28696	0.4
494.09625	0.4
539.16205	0.7
548.18475	0.6
571.19885	2.8
601.22522	22.4
602.23022	2.1
701.27893	1.4
733.25183	19.2
734.25342	2.2
763.27820	2.1
925.33063	27.9
926.33502	4.8
951.97925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88671	1.0
65.03941	8.7
67.05492	1.2
68.77425	0.9
69.03423	3.3
70.06595	1.8
70.20766	2.0
70.21135	2.1
70.83173	0.8
72.08141	1.0
76.24117	0.9
77.03941	1.0
79.05510	2.0
79.65185	1.1
81.03429	3.8
81.07053	1.0
85.02910	6.9
91.05483	5.5
93.03419	4.8
95.01338	2.1
95.04976	2.5
97.02897	2.0
103.05474	11.7
105.04560	1.2
105.07037	8.4
106.04206	1.1
107.04945	7.0
109.06564	1.9
110.03661	8.6
111.04445	10.2
114.47544	1.0
115.03928	0.9
115.05466	4.6
117.07025	3.1
118.04211	2.4
119.04984	6.0
121.06531	2.7
122.03650	2.7
123.04449	3.5
124.05256	1.5
125.06004	10.9
127.03891	1.6
128.06210	1.9
129.07016	4.4
130.04199	1.2
131.04922	19.0
131.08551	1.5
133.02864	7.2
133.06508	7.2
135.04430	1.9
135.08109	1.2
137.05972	41.1
138.03055	1.1
143.04932	2.5
144.05707	2.0
145.02827	1.2
145.04968	1.1
145.06465	3.4
147.04385	7.8
147.08049	1.8
148.05182	4.8
149.05960	4.0
151.03912	35.6
151.04915	1.5
151.07570	3.0
152.04405	1.3
153.05464	39.4
154.05724	1.3
155.04935	1.5
156.27809	1.0
157.06465	1.0
159.08055	7.2
160.05217	2.2
161.05992	10.6
161.09625	1.4
163.03947	2.1
163.07530	17.2
165.05473	1.8
167.07037	47.9
168.07422	2.0
171.04388	2.1
171.08041	1.3
172.05125	1.4
173.06018	2.7
175.07541	16.3
176.04741	1.5
176.07964	1.4
177.05472	6.1
178.07698	2.0
179.07043	6.6
179.08549	1.6
181.04962	15.2
185.05957	2.5
186.06769	5.7
187.07529	17.2
189.05437	2.2
189.07086	1.5
189.09096	2.2
190.07834	2.4
191.07031	47.9
191.08478	2.9
192.07446	1.9
193.08565	2.8
195.06468	1.5
195.08049	1.5
199.07538	5.3
201.05440	2.2
202.05925	1.0
202.07756	1.9
203.07004	2.0
203.08649	2.7
205.06525	3.2
205.08629	6.1
206.07219	2.2
207.06419	1.5
207.08263	2.1
208.08806	2.5
209.08090	3.1
215.06909	2.0
216.07845	4.4
217.06554	1.3
217.08583	3.1
218.07266	4.5
219.08060	7.6
219.09946	1.4
220.08859	3.5
221.05992	3.4
221.09589	5.6
223.07523	2.0
225.09068	1.2
229.08517	5.8
231.08144	2.8
232.08717	1.2
233.06013	1.8
233.09773	2.1
234.06767	3.3
235.07552	7.3
235.09721	3.2
236.08302	9.8
237.09116	4.3
246.06799	1.9
247.07495	6.1
248.08247	4.5
249.05553	2.5
249.09113	7.9
250.06290	1.2
250.09827	2.0
251.06917	2.0
251.10689	14.7
253.08562	3.0
257.08176	1.1
259.07507	1.6
261.05606	1.5
261.09149	3.3
263.06824	4.2
263.09039	7.3
264.07700	9.7
265.08484	9.2
265.10754	1.3
266.09119	2.4
267.10260	1.0
268.10944	1.5
273.09308	1.3
275.07065	3.4
276.07840	5.6
277.05649	1.4
277.08466	6.9
278.09299	4.1
279.10190	11.8
280.10840	2.3
281.08084	5.1
281.11774	6.4
282.08853	1.3
283.10046	1.4
283.13330	5.0
289.08624	3.5
291.06824	1.2
291.10104	4.5
291.95920	1.0
292.07303	2.5
293.08038	4.9
293.11459	1.9
294.08823	2.0
295.09625	2.7
296.10425	2.4
297.11194	1.9
305.07959	2.3
305.11301	1.1
306.08704	1.3
307.09637	38.0
308.10287	8.5
309.11206	10.0
311.09430	1.3
311.12762	33.9
312.13235	1.9
313.14249	1.3
319.09561	8.7
320.10361	2.5
321.11194	4.8
323.09167	1.7
323.12885	3.2
324.10159	1.6
325.10709	3.6
325.14114	2.4
327.12164	2.4
329.13931	1.6
337.10764	8.4
337.14462	2.0
339.12271	100.0
340.12735	6.7
341.13828	24.0
342.14059	3.1
351.12231	24.0
352.12469	1.6
353.13876	9.4
355.11621	5.7
357.13397	10.1
369.13300	26.6
369.17880	1.3
370.13846	2.3
371.15002	4.5
387.14359	33.7
388.14853	2.8
489.19144	3.5
501.18683	3.0
519.18768	4.6
531.18402	1.1
549.19995	2.2
555.33173	1.0
658.56750	1.1
711.24860	3.4
847.06860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	6.8
67.05505	2.6
69.03425	3.7
70.06594	1.0
70.07876	2.6
71.01377	1.0
71.47200	0.8
75.04456	0.9
79.05496	2.6
81.03403	4.4
82.04209	1.8
85.02897	6.6
91.05490	6.2
93.03398	4.2
94.04187	2.1
95.04977	3.1
97.02888	2.9
103.05467	20.5
105.04526	1.1
105.07040	3.8
107.04951	7.4
108.02080	1.6
109.02891	1.4
109.06537	1.2
110.03639	4.8
111.04436	7.1
115.05457	4.6
117.07038	4.9
118.04189	4.3
119.04951	6.7
121.02849	1.2
121.06507	3.2
122.03640	3.8
123.04427	2.6
125.05989	8.4
127.03901	2.2
128.06262	1.9
129.07024	4.1
130.04163	1.6
131.04930	30.3
132.05548	1.5
133.02866	5.8
133.06497	5.4
135.04431	2.5
135.08058	2.1
137.05977	69.1
138.06357	1.5
142.02541	1.1
143.04916	3.6
144.05702	1.4
145.02838	1.1
145.06476	6.4
146.03601	1.2
147.04399	7.5
147.08017	1.5
148.05196	9.2
149.02437	0.9
149.06003	5.5
151.03914	79.6
151.04991	4.9
151.07542	3.4
152.04326	3.0
153.05470	30.6
155.05971	1.2
157.06479	2.4
159.04404	1.7
159.08067	4.5
160.05217	3.3
161.05984	6.7
161.09624	1.8
163.07549	27.5
164.04636	1.0
164.07956	1.2
165.05450	4.5
165.06903	2.0
165.09207	1.2
167.07042	31.6
171.04416	2.0
173.05983	8.4
175.07552	14.7
176.04706	2.8
176.07941	1.3
177.05481	6.0
177.08986	1.0
178.07750	1.1
179.07071	8.8
181.04964	27.1
182.05331	1.5
183.06429	0.9
185.06050	2.0
186.06789	3.6
187.07573	8.1
189.05527	1.9
189.09088	2.6
190.06204	2.4
190.07797	1.0
191.07028	100.0
192.07364	4.3
193.04903	1.1
193.08607	4.0
195.06462	1.1
195.08098	1.1
199.07539	1.9
201.05461	2.8
201.09061	2.0
203.07008	5.5
203.08517	1.7
205.06479	3.3
205.08614	11.4
206.07312	1.1
207.06445	2.2
207.08224	2.1
207.10251	2.7
209.08107	3.9
215.06931	1.1
216.07848	4.6
217.06601	1.7
217.08463	4.4
218.07253	1.9
219.08078	4.6
219.10173	2.7
220.08725	2.5
221.06036	1.7
221.07954	1.7
222.06714	1.1
223.09531	1.3
225.09166	1.4
229.08629	4.7
233.06020	1.5
233.08058	4.9
235.07512	4.3
235.09668	10.0
236.08260	4.7
237.09077	2.2
239.07103	1.0
239.10631	1.0
246.06810	1.3
247.07544	3.6
248.08327	2.6
249.09198	5.1
251.07022	1.5
251.10724	7.2
252.11150	1.4
253.08566	1.9
259.09760	1.5
261.05463	1.3
261.09183	2.4
262.06247	0.9
263.07178	1.2
263.09164	19.3
264.07663	5.8
265.08292	6.4
265.11047	4.2
266.09167	1.1
267.10129	2.2
268.10941	1.1
275.06888	1.8
276.07809	3.5
277.08588	6.3
278.09283	2.6
279.07022	1.2
279.10068	6.6
280.07404	0.9
281.07974	1.6
281.11658	1.5
282.12234	1.4
283.13361	3.2
289.08456	1.4
291.10129	2.7
292.07281	2.1
292.10544	1.1
293.08069	3.2
293.11496	1.1
294.08734	1.1
295.09692	3.3
296.10419	1.7
297.11145	2.1
299.12643	1.1
300.09937	1.2
305.07965	1.4
307.09650	23.9
308.10345	4.5
309.11002	4.2
311.12817	5.0
319.09430	4.2
320.10181	1.8
321.11121	2.9
323.12823	1.8
324.09641	1.2
325.10703	3.3
327.12274	4.6
329.13751	2.1
337.10895	4.6
339.12286	49.6
340.12546	4.9
341.13806	9.5
351.12256	12.7
352.12772	1.1
353.13754	4.6
355.11813	9.7
357.13306	5.1
359.14673	1.6
369.13315	17.8
370.13937	1.6
371.14883	4.6
372.15247	1.3
387.14374	77.4
388.14749	7.2
489.19070	1.7
517.18628	1.4
519.18951	2.5
549.19849	5.6
711.24866	9.3
928.71600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.8
65.71017	0.7
67.05507	98.0
68.05846	1.4
69.03434	7.0
69.07068	21.5
69.30121	5.4
71.04996	5.1
71.08607	1.2
72.41032	0.8
73.02926	10.8
77.03914	0.9
79.05493	84.4
80.05825	1.6
81.03410	2.9
81.07059	100.0
82.07375	2.0
83.04980	3.7
83.08618	11.6
85.02906	35.1
85.06534	5.3
87.04480	1.7
91.03958	26.4
91.05478	54.6
92.05821	1.3
93.07045	93.3
94.07346	1.4
95.04964	8.7
95.08607	74.8
96.04470	1.0
96.08948	1.1
97.02886	20.3
97.06509	5.4
97.10146	5.1
98.23347	1.5
99.04436	3.0
99.08090	3.9
103.03961	0.8
105.04494	2.6
105.07029	37.8
107.08593	41.8
108.08955	1.0
109.02864	1.4
109.06525	2.3
109.10155	34.0
111.08073	2.8
113.09666	0.8
115.03924	2.0
115.05411	0.9
117.07016	15.1
119.08585	33.1
120.08910	0.9
121.06540	1.2
121.10145	46.0
122.10439	0.9
123.08061	2.3
123.11703	12.5
125.09618	1.8
126.51111	0.9
127.03920	9.0
129.05484	1.5
129.07004	4.1
130.07761	1.3
131.07568	1.4
131.08563	26.8
133.10127	32.3
135.08034	2.7
135.11688	33.5
136.12007	1.0
136.18304	0.8
137.09595	2.4
137.13251	3.7
139.11188	2.0
143.08566	4.4
144.09335	1.2
145.04965	10.6
145.10109	21.4
147.11681	19.5
149.09637	2.6
149.13264	16.1
151.11156	2.6
151.14781	0.9
157.10135	5.3
159.11688	17.3
161.13278	9.9
163.06017	10.5
163.11186	1.3
163.14821	4.2
165.12756	1.1
165.16515	0.9
169.10080	1.5
171.11719	5.9
173.13266	15.3
175.11130	1.2
175.14832	5.2
177.12675	1.6
177.16336	1.4
183.11708	1.9
185.13263	4.2
187.14804	6.6
189.16376	3.2
191.14349	1.6
197.13300	1.0
199.14824	2.8
201.16368	3.0
203.17969	2.7
205.19490	3.0
211.14850	1.2
213.16417	6.2
215.17960	21.6
215.19888	0.7
216.18231	1.1
217.19510	2.4
219.17287	1.0
231.17447	7.2
231.20927	1.2
233.19034	15.9
235.20702	1.3
241.19533	2.8
243.21088	3.7
257.19016	1.2
259.20602	5.7
261.22134	12.3
277.21793	1.3
287.20172	1.1
305.21075	2.9
307.22659	66.6
308.23099	4.1
309.24197	8.9
313.25116	0.9
315.22958	1.0
317.24762	2.3
333.24271	4.3
335.25787	70.2
336.26080	4.1
337.27325	6.5
421.73242	1.0
473.36523	1.2
475.39645	1.6
493.40204	1.9
515.37592	1.6
550.15332	0.9
567.44067	16.6
568.44055	2.1
585.45123	16.5
586.45129	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	928.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.1
67.05478	1.0
68.99771	0.4
69.03423	3.2
70.43587	1.4
71.04987	0.5
73.02927	0.7
73.05086	0.4
79.05476	1.9
81.03419	2.1
83.04969	0.7
83.73907	0.5
85.02901	7.7
88.29600	0.6
91.05489	3.5
93.03384	0.8
93.07034	0.6
95.04958	1.6
96.92455	0.5
97.02897	2.6
103.05460	1.8
105.07024	1.8
107.04946	3.3
109.02856	1.2
110.03648	1.5
111.04423	2.2
117.06970	0.7
118.04126	0.6
119.04935	3.1
121.02863	1.7
121.06509	2.3
122.03654	0.7
123.04443	0.5
125.02374	0.5
125.05977	3.3
127.03902	1.9
128.06239	0.9
129.07001	2.2
131.04929	2.9
131.08562	1.2
133.02856	4.7
133.06480	1.3
135.04463	0.6
135.08040	2.0
137.05972	11.0
138.06284	0.9
144.05705	1.1
145.04958	0.5
145.06450	1.0
145.10112	0.5
147.04424	3.5
147.07997	0.7
147.11659	0.6
149.02342	0.7
149.05949	2.3
151.03853	0.9
151.07529	5.8
153.05449	4.4
154.05667	0.6
157.06476	2.2
159.08095	2.6
161.05959	4.3
161.09596	1.7
162.06682	0.7
163.07523	4.2
165.05467	1.4
165.06978	0.5
165.09077	0.9
167.07051	14.5
167.08392	0.6
168.07375	0.5
169.06459	0.8
171.06572	0.5
173.09647	0.5
174.06714	0.9
175.07562	3.5
177.05501	1.8
177.06923	0.6
177.09081	3.0
178.07756	1.0
179.07022	3.0
179.08455	0.8
181.04976	10.8
181.06464	1.0
181.08591	4.2
182.05423	0.6
183.08090	1.3
187.07559	1.6
188.08282	0.6
189.09076	5.3
191.07056	1.6
193.06549	0.6
193.08597	2.4
193.10187	0.8
193.12193	0.7
195.08112	2.4
195.10176	2.0
197.05992	0.8
197.09616	1.2
201.09198	0.7
203.06918	1.0
207.06306	0.6
207.08202	1.0
207.10147	1.5
209.05975	0.8
209.07933	0.9
209.09683	1.0
210.06737	1.2
211.07530	1.6
212.08276	1.2
213.09262	0.6
215.06845	0.6
217.12271	0.6
219.08073	1.3
219.10172	3.4
221.05956	0.8
221.09694	3.0
221.11575	1.0
222.06793	1.1
222.10347	1.1
223.07571	2.8
223.11183	0.6
224.08261	1.2
225.05545	0.6
225.09113	2.5
227.06955	0.6
227.10674	0.9
229.08676	0.6
234.06766	1.8
235.07535	1.8
236.08214	0.7
237.09090	3.0
238.09851	1.7
239.07036	1.8
239.10722	0.9
240.07860	2.8
241.08504	1.5
247.07587	1.2
248.08315	1.3
249.09073	4.7
249.11313	0.6
250.06194	0.8
250.09781	1.3
251.06943	2.6
251.10712	1.1
252.07811	2.5
253.08534	5.9
253.12201	2.5
254.09305	1.4
255.06374	0.8
255.10181	2.7
257.08124	1.6
261.09363	0.7
263.06961	0.7
264.07895	1.0
265.08600	3.0
266.09344	3.3
267.10205	3.6
268.07224	1.2
269.08051	3.7
269.12070	0.6
270.08856	1.3
277.08615	2.6
278.09293	1.0
279.10181	1.2
280.07245	0.9
281.08069	3.3
281.11255	3.5
282.12540	0.8
283.06396	0.9
283.09662	5.7
283.12979	1.0
284.10458	1.3
285.07587	1.5
285.11157	1.6
292.10757	0.9
293.08087	0.6
293.11633	1.5
294.08951	0.8
295.09625	3.4
295.42075	0.7
296.10162	0.8
297.07660	1.3
297.11102	1.2
298.08292	3.2
298.11459	0.7
299.12732	3.1
300.09927	7.6
300.13089	0.9
305.11102	0.6
307.09583	1.1
308.10260	0.7
309.11172	3.0
310.11844	0.8
311.09158	1.0
311.12411	2.9
312.09781	1.1
313.10672	26.3
313.14343	17.8
314.11124	3.1
314.14685	1.2
315.12338	2.2
321.11142	1.2
323.12753	1.0
325.10593	1.9
325.14114	0.7
326.11359	3.0
327.12271	12.3
327.15955	0.6
328.12799	1.2
328.21695	0.6
329.13803	1.6
331.15338	8.2
332.15857	0.7
335.12518	0.9
338.11417	0.6
339.12244	10.0
339.71118	0.7
340.12814	1.8
341.13824	15.5
342.14188	1.0
343.15396	1.7
344.12497	0.6
345.16974	1.2
347.14688	1.3
353.13892	1.7
355.15347	3.6
357.13220	1.7
357.17123	0.7
359.14868	100.0
360.15286	6.1
361.11948	0.6
361.16452	13.2
365.13589	0.9
367.15402	1.8
371.14883	29.6
371.92047	0.5
372.15280	1.9
373.16367	5.5
385.16376	1.9
389.15759	3.0
397.16357	1.4
401.15906	1.4
413.15939	1.2
425.16345	0.7
469.18433	0.8
485.18069	1.6
487.19824	0.7
491.20575	1.5
509.21695	5.6
521.20795	9.0
522.21423	1.1
539.22559	0.6
599.48431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.0
67.05499	0.8
69.03442	3.3
69.48715	0.4
70.27393	1.4
71.05006	0.7
73.02924	0.5
73.68492	0.4
75.15113	0.4
79.05496	1.5
81.03416	2.3
81.07072	0.6
83.05016	0.4
85.02914	6.9
91.05473	3.0
93.03412	0.8
93.07061	0.5
94.04212	0.7
95.04962	1.3
97.02908	2.6
99.04421	0.6
100.68506	0.5
103.03969	0.5
103.05444	2.1
105.07021	1.8
107.04945	3.4
109.02888	1.0
109.06527	0.8
110.03673	1.5
110.30771	0.4
111.04419	1.9
115.05457	0.8
115.24903	0.4
117.07011	0.8
119.04958	2.5
121.02859	1.6
121.06475	2.2
122.03636	0.8
123.04379	0.5
123.08086	0.6
124.05226	0.7
125.05998	2.7
127.03900	1.2
128.06259	0.6
129.06987	1.4
131.04962	2.3
131.08589	1.3
133.02875	5.1
133.06525	0.8
135.04417	0.6
135.08064	1.7
137.05981	12.3
138.06383	0.5
141.06920	0.6
143.04993	0.5
144.05743	1.0
145.05009	0.8
145.06483	1.4
147.04414	3.5
148.05206	0.7
149.02322	0.7
149.05977	2.7
151.03934	1.2
151.07545	5.4
153.05521	4.2
153.06810	0.8
157.05321	0.4
157.06506	2.0
159.08090	2.1
160.05144	0.7
161.05995	4.0
161.09659	2.2
163.07542	3.9
165.05527	1.1
165.06953	1.0
165.09117	0.7
167.07057	14.6
167.08446	0.7
169.06508	0.7
171.08072	0.5
173.06023	0.6
174.06833	1.3
175.07513	2.9
177.05521	2.1
177.06833	0.5
177.09102	3.0
179.07033	3.2
179.08415	0.8
180.07761	0.4
181.04976	9.4
181.06387	0.6
181.08568	3.6
183.08208	0.6
187.07506	1.7
189.09084	5.0
191.07047	2.0
191.08658	0.8
191.10567	0.6
193.06827	0.5
193.08611	3.5
194.07341	0.9
195.08051	2.9
195.10193	1.8
197.05991	0.9
201.09103	0.6
203.06912	1.2
205.06529	1.0
205.08362	0.7
206.07295	1.2
207.06303	0.5
207.08185	0.8
207.10114	1.2
208.08917	0.6
209.05943	1.1
209.07837	0.5
209.09714	1.0
210.06760	1.4
210.10489	0.5
211.07579	1.9
212.08412	0.9
213.09070	0.8
219.08055	1.4
219.10190	3.8
221.05972	1.1
221.09622	3.4
221.11649	0.9
222.06766	0.6
222.10342	1.4
223.07562	4.1
223.11194	0.9
224.08315	1.6
225.09114	2.7
227.07071	1.2
227.10689	0.5
229.08774	0.6
232.08728	0.4
234.06718	1.1
235.07504	1.8
237.05461	1.0
237.09062	2.6
238.06238	0.8
238.09917	2.5
239.06955	2.4
239.10654	1.2
240.07758	3.3
241.08574	1.4
247.07524	0.9
248.08310	0.6
249.05368	0.5
249.09111	4.3
250.09833	1.2
251.07063	2.5
251.10632	1.5
252.07846	2.4
253.04846	0.7
253.05888	0.7
253.08614	7.5
253.12177	2.7
254.09306	1.5
255.06523	1.1
255.10220	2.8
257.08102	2.0
257.11847	0.8
261.09055	1.0
263.10797	0.6
264.07870	0.6
265.08676	3.4
265.11560	0.5
266.09320	2.7
267.06888	1.0
267.10165	3.3
268.07266	1.0
268.10983	0.7
269.08112	3.3
269.11508	0.8
270.08698	1.1
271.09732	0.9
272.10446	0.8
277.08588	1.8
278.09372	0.9
279.06866	0.7
279.10211	1.7
280.07443	1.1
280.10529	0.6
281.08447	2.7
281.11304	2.8
282.08792	0.9
283.06213	1.0
283.09665	6.7
283.12723	0.7
284.10474	1.2
285.07642	1.8
285.11288	1.6
291.10281	0.9
293.08194	0.6
293.11783	1.1
295.09668	3.2
296.10410	1.2
297.07562	1.4
297.11230	1.3
298.08353	3.5
298.11963	1.4
299.09381	0.9
299.12802	3.6
300.09927	8.3
301.10669	0.7
307.09558	1.3
309.11240	4.1
310.11816	1.3
311.09210	0.9
311.12778	2.3
312.09888	1.1
313.10693	27.5
313.14362	19.4
314.11182	2.0
314.14694	1.3
315.12277	2.2
317.13873	1.2
320.10202	0.6
321.11145	1.8
323.12830	1.0
325.10617	1.9
326.11624	2.9
327.12286	12.8
327.16061	0.6
328.12860	1.3
329.13812	1.5
331.15399	6.1
339.12305	9.6
340.12851	1.6
341.13846	15.5
342.14053	1.2
343.15363	2.5
343.36588	0.5
344.12396	0.7
344.16159	0.7
345.16992	1.2
353.13818	2.5
355.15405	3.0
357.13281	2.2
357.17148	1.1
358.13370	0.6
359.14893	100.0
360.15247	5.2
361.16440	14.2
362.16751	0.6
365.13849	1.2
367.15430	2.5
371.14883	28.7
372.15396	2.8
373.16443	6.1
385.16492	2.5
389.15811	3.0
397.16660	0.7
401.15945	1.6
413.15698	0.7
437.15924	0.5
451.17865	0.6
467.17084	0.8
469.18661	0.7
485.17990	1.8
487.19586	0.9
491.20370	1.2
509.21588	5.5
510.22134	0.8
521.20862	9.5
522.21466	1.2
533.20782	1.1
539.22699	1.2
551.21704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.2
65.96854	1.7
67.05511	86.8
69.03416	3.6
69.07075	27.1
69.12893	6.2
69.13314	6.8
71.05007	2.3
73.02916	7.9
77.95883	1.9
79.05498	45.6
81.07062	100.0
83.04980	2.0
83.08625	17.0
85.02909	23.3
85.06553	4.4
85.37740	1.7
91.03963	15.8
91.05481	33.7
93.07050	53.9
95.04987	4.5
95.08611	67.2
97.02894	14.3
97.06555	3.9
97.10179	6.9
99.08096	7.4
105.07041	23.0
107.07505	1.8
107.08600	28.4
109.10169	30.2
111.08099	2.4
113.09690	2.9
117.07034	7.9
117.11612	1.9
119.08585	20.2
121.06601	1.6
121.10155	24.1
123.11704	11.5
125.09673	3.0
127.03904	7.5
131.08572	11.0
131.75398	1.7
133.10127	15.4
135.11684	21.5
137.13248	4.8
139.88106	1.7
145.04950	9.0
145.10130	7.6
147.11693	13.9
149.13278	10.5
151.14902	2.1
155.76579	1.8
157.10127	3.0
159.11739	7.2
161.13286	11.3
163.06042	9.1
163.14838	5.2
171.11684	2.1
173.13261	5.5
175.14880	4.1
177.16449	1.9
177.21632	1.9
185.13405	3.2
187.14839	3.8
215.17993	5.1
217.19490	7.6
219.21196	2.0
233.18982	3.0
235.20587	8.1
243.21086	6.0
259.20627	3.3
261.22119	16.6
296.94690	1.6
307.22787	5.7
309.24252	65.5
310.24524	3.3
311.25824	7.1
317.24774	2.1
327.75885	1.8
333.24362	4.4
335.25824	71.1
336.26184	4.1
337.27316	10.9
393.69998	1.9
495.42081	3.4
569.45618	25.5
570.45306	2.2
587.46576	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	931.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.1
67.05516	8.3
69.03432	23.6
69.07064	4.6
71.01351	3.0
71.04995	19.4
71.31448	1.6
73.02921	19.8
75.04497	2.0
75.57246	1.4
79.05503	7.4
81.03429	3.1
81.07059	14.7
83.04989	17.9
83.08644	2.1
85.02905	51.0
85.06548	1.8
87.04479	4.0
91.05492	11.5
93.07053	16.5
95.04974	12.8
95.08606	37.9
97.02895	37.5
97.06533	3.9
99.04478	4.2
103.03931	1.6
105.07038	20.1
107.08604	22.9
109.02897	2.1
109.06535	5.0
109.10154	12.9
111.04438	15.8
111.08059	2.7
113.06048	2.2
115.03941	17.0
115.05466	1.7
117.07029	4.6
119.08582	47.8
120.76740	1.3
121.06489	2.9
121.10155	14.1
123.04467	1.6
123.08062	6.6
123.11730	3.4
127.03927	2.3
128.06209	1.7
129.05446	8.8
129.07048	4.1
131.08568	18.2
133.04944	1.9
133.06493	2.0
133.10130	21.1
135.08078	6.1
135.11719	6.8
137.05998	1.7
137.09622	3.6
139.03969	3.1
143.08556	12.1
144.06761	1.2
145.10135	29.1
147.06540	4.1
147.08066	6.3
147.11700	12.9
147.97241	1.4
149.09637	4.4
149.13284	4.3
151.11194	1.5
155.08571	3.3
156.09309	2.2
156.41754	1.5
157.10146	12.8
158.10851	1.8
158.53027	1.3
159.08049	1.8
159.11703	18.9
161.09653	5.0
161.13264	11.7
163.07547	2.2
163.11189	3.1
163.14854	5.2
167.07126	1.5
167.08597	1.6
169.10173	4.6
170.10806	2.0
171.06520	1.4
171.08093	1.3
171.11728	7.3
173.09673	3.6
173.13258	14.6
175.11220	2.3
175.14790	9.8
177.12837	2.7
177.16396	4.0
179.14291	1.6
181.10039	1.4
183.11734	5.5
185.13268	10.6
187.11177	1.7
187.14815	41.7
189.12782	6.1
189.16331	7.7
191.14343	4.7
195.11780	1.8
197.13289	8.0
199.14793	12.9
201.12694	2.8
201.16426	15.1
203.14314	33.4
203.17995	2.9
205.15865	8.8
211.14868	4.0
213.16376	10.1
215.14285	7.4
215.17993	5.0
217.15919	12.2
219.17487	2.8
221.15337	1.5
221.29559	1.6
223.14777	2.1
225.07614	9.0
225.16377	3.0
227.17993	3.7
229.07130	1.6
229.15915	5.8
231.17468	5.4
233.15485	2.2
237.16522	2.2
239.17894	3.8
241.19595	2.0
243.08647	3.3
243.17422	1.9
245.15425	2.1
253.19553	2.2
255.21202	1.8
279.10629	8.5
391.30103	3.0
403.30060	4.5
405.31808	2.3
409.31140	1.8
421.31079	8.0
423.32480	4.7
431.29590	2.9
437.30350	4.9
439.32065	4.9
449.30243	6.6
455.31549	75.9
456.31802	7.6
467.31625	16.6
468.31165	1.6
485.32629	100.0
486.32913	9.9
503.33688	71.8
504.33954	6.2
521.34760	22.0
522.34991	2.2
587.35797	12.1
617.37024	15.4
635.37872	7.1
653.39404	1.7
667.40198	3.9
763.41406	1.7
931.35400	3.4
932.35516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	3.5
69.03446	3.5
69.07088	1.1
69.22267	6.0
73.02940	4.3
79.05505	2.8
81.03461	0.9
81.07063	3.0
82.76334	0.7
85.02910	7.4
91.03995	3.0
91.05485	1.8
93.07065	3.4
93.10434	0.8
95.08643	2.6
97.02895	7.0
101.02373	2.0
105.07077	1.1
107.08578	1.9
109.02895	1.1
118.49426	0.9
119.08579	0.9
119.20083	0.9
121.10120	1.3
122.75775	0.8
127.03974	2.9
135.11748	1.0
153.88567	0.8
231.03442	0.8
241.89455	0.9
243.08615	1.4
277.22031	0.7
347.09500	4.5
405.13812	7.5
491.26498	3.1
497.25009	0.9
519.29681	1.5
653.31604	8.4
681.34619	3.8
931.53900	100.0
932.54034	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	932.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.1
67.05502	8.8
68.99793	1.7
69.03430	18.5
69.07071	9.3
69.31724	2.0
69.32134	3.1
71.04994	2.5
73.02896	1.8
79.05492	8.7
81.03416	13.2
81.07059	15.0
81.99892	0.8
83.04993	2.0
83.08616	6.6
85.02906	39.5
87.00832	19.0
91.05466	10.3
92.50281	0.8
93.07050	17.3
93.85364	0.8
95.04982	1.5
95.08604	32.6
97.02897	14.2
97.06531	0.8
97.10165	2.5
98.23348	1.5
99.04452	7.1
102.21061	0.7
105.01862	19.1
105.06370	1.8
105.07034	26.4
107.08596	32.4
109.02872	15.7
109.06518	2.5
109.10149	21.9
110.10501	1.2
111.08105	2.1
115.05450	1.8
117.01839	1.1
117.07005	6.1
119.08579	48.7
120.08920	1.3
121.10140	29.2
122.10505	1.0
123.08081	2.6
123.11712	10.6
125.09643	1.2
127.03921	27.7
128.06236	3.3
129.01855	2.3
129.07008	3.2
130.07793	0.9
131.07576	1.0
131.08569	29.3
133.10129	35.1
135.08061	3.7
135.11697	13.4
137.09642	2.1
137.13293	2.1
141.06952	1.7
142.07768	3.3
143.08565	14.7
144.09332	1.9
145.04953	8.1
145.10120	59.8
146.10538	2.0
147.02888	1.5
147.11678	18.5
149.09647	2.9
149.13254	6.5
151.07593	1.0
151.11183	3.1
151.14819	1.3
155.08626	4.2
156.09343	4.3
157.10130	19.6
157.11395	1.0
158.10887	3.5
159.02896	5.8
159.11694	42.7
160.12090	1.4
161.09624	1.9
161.13263	13.3
163.07574	3.2
163.11191	5.2
163.14798	8.3
165.12653	1.2
167.08551	1.1
168.09229	1.5
169.10120	5.8
170.10898	8.7
171.11688	19.7
172.12430	3.7
173.09761	0.8
173.13264	26.9
175.11180	3.1
175.14819	17.1
177.12798	2.4
177.16373	14.0
179.08603	1.0
179.14258	1.4
181.10062	1.6
182.10944	2.5
183.11681	28.8
184.12375	2.8
185.09732	1.5
185.13257	47.1
186.13770	3.0
187.14818	69.6
188.15176	3.4
189.12749	2.5
189.16385	30.5
190.13510	2.7
190.16833	1.0
191.10583	1.0
191.14357	2.4
191.17929	7.9
195.11778	2.0
196.12558	1.3
197.13260	10.1
199.14819	33.7
200.15274	1.9
201.12761	2.7
201.16374	55.8
202.16766	2.1
203.14307	14.4
203.17987	6.2
205.15877	30.3
206.16225	1.1
207.11700	0.9
207.14041	0.9
207.17410	11.3
209.13174	4.5
210.14032	0.9
211.11458	1.0
211.14821	7.0
213.03923	2.6
213.12814	2.3
213.16391	13.5
215.14410	3.1
215.17929	14.4
217.12170	1.0
217.15906	6.7
217.19504	2.2
219.13828	1.3
219.17497	4.4
223.14830	3.7
223.16988	3.5
225.16367	4.0
227.14293	3.7
227.17926	5.3
229.12442	1.0
229.15897	3.3
229.19531	1.7
231.04980	8.3
231.13823	2.6
231.17448	2.6
233.15338	1.7
233.18900	4.6
237.16399	3.3
239.18002	4.7
241.15874	1.0
241.19539	3.9
243.17453	1.2
243.21156	1.6
245.15340	9.1
245.19035	1.0
247.16867	1.7
249.06042	4.2
251.17976	3.2
253.19479	5.0
255.21126	3.7
257.15381	1.5
257.19144	1.3
259.16959	1.8
261.18631	1.3
263.16415	3.5
265.19601	1.3
267.21045	3.7
269.22607	2.0
273.18372	1.4
279.21066	2.0
281.22729	1.6
283.20795	1.2
285.18628	1.1
291.21121	1.1
293.22784	1.8
295.24231	1.0
299.16681	1.3
299.19946	1.8
301.21658	2.0
303.21170	1.0
305.22778	1.1
311.23590	1.5
313.21533	2.1
333.47244	1.0
353.17178	1.0
357.25479	1.0
363.30438	1.1
369.24194	1.5
387.30463	11.4
388.31055	2.0
389.32037	17.1
390.32132	1.0
405.31503	42.6
406.31839	3.0
407.33270	20.6
408.33633	1.5
415.29800	3.1
421.31149	2.9
423.32510	16.8
424.32535	1.4
425.34341	4.0
433.31015	35.8
434.31268	3.2
439.31982	7.5
441.33444	2.7
451.32062	100.0
452.32291	10.2
453.33243	1.4
469.33127	94.6
470.33469	6.7
487.34244	19.5
488.34598	1.8
505.35251	1.9
653.36646	1.1
663.35168	1.5
671.37854	1.9
673.38928	1.9
681.36328	2.1
689.38428	1.6
699.37103	3.6
717.38287	15.5
718.38458	1.2
735.39429	1.5
776.54889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.1
67.05502	8.8
68.99793	1.7
69.03430	18.5
69.07071	9.3
69.31724	2.0
69.32134	3.1
71.04994	2.5
73.02896	1.8
79.05492	8.7
81.03416	13.2
81.07059	15.0
81.99892	0.8
83.04993	2.0
83.08616	6.6
85.02906	39.5
87.00832	19.0
91.05466	10.3
92.50281	0.8
93.07050	17.3
93.85364	0.8
95.04982	1.5
95.08604	32.6
97.02897	14.2
97.06531	0.8
97.10165	2.5
98.23348	1.5
99.04452	7.1
102.21061	0.7
105.01862	19.1
105.06370	1.8
105.07034	26.4
107.08596	32.4
109.02872	15.7
109.06518	2.5
109.10149	21.9
110.10501	1.2
111.08105	2.1
115.05450	1.8
117.01839	1.1
117.07005	6.1
119.08579	48.7
120.08920	1.3
121.10140	29.2
122.10505	1.0
123.08081	2.6
123.11712	10.6
125.09643	1.2
127.03921	27.7
128.06236	3.3
129.01855	2.3
129.07008	3.2
130.07793	0.9
131.07576	1.0
131.08569	29.3
133.10129	35.1
135.08061	3.7
135.11697	13.4
137.09642	2.1
137.13293	2.1
141.06952	1.7
142.07768	3.3
143.08565	14.7
144.09332	1.9
145.04953	8.1
145.10120	59.8
146.10538	2.0
147.02888	1.5
147.11678	18.5
149.09647	2.9
149.13254	6.5
151.07593	1.0
151.11183	3.1
151.14819	1.3
155.08626	4.2
156.09343	4.3
157.10130	19.6
157.11395	1.0
158.10887	3.5
159.02896	5.8
159.11694	42.7
160.12090	1.4
161.09624	1.9
161.13263	13.3
163.07574	3.2
163.11191	5.2
163.14798	8.3
165.12653	1.2
167.08551	1.1
168.09229	1.5
169.10120	5.8
170.10898	8.7
171.11688	19.7
172.12430	3.7
173.09761	0.8
173.13264	26.9
175.11180	3.1
175.14819	17.1
177.12798	2.4
177.16373	14.0
179.08603	1.0
179.14258	1.4
181.10062	1.6
182.10944	2.5
183.11681	28.8
184.12375	2.8
185.09732	1.5
185.13257	47.1
186.13770	3.0
187.14818	69.6
188.15176	3.4
189.12749	2.5
189.16385	30.5
190.13510	2.7
190.16833	1.0
191.10583	1.0
191.14357	2.4
191.17929	7.9
195.11778	2.0
196.12558	1.3
197.13260	10.1
199.14819	33.7
200.15274	1.9
201.12761	2.7
201.16374	55.8
202.16766	2.1
203.14307	14.4
203.17987	6.2
205.15877	30.3
206.16225	1.1
207.11700	0.9
207.14041	0.9
207.17410	11.3
209.13174	4.5
210.14032	0.9
211.11458	1.0
211.14821	7.0
213.03923	2.6
213.12814	2.3
213.16391	13.5
215.14410	3.1
215.17929	14.4
217.12170	1.0
217.15906	6.7
217.19504	2.2
219.13828	1.3
219.17497	4.4
223.14830	3.7
223.16988	3.5
225.16367	4.0
227.14293	3.7
227.17926	5.3
229.12442	1.0
229.15897	3.3
229.19531	1.7
231.04980	8.3
231.13823	2.6
231.17448	2.6
233.15338	1.7
233.18900	4.6
237.16399	3.3
239.18002	4.7
241.15874	1.0
241.19539	3.9
243.17453	1.2
243.21156	1.6
245.15340	9.1
245.19035	1.0
247.16867	1.7
249.06042	4.2
251.17976	3.2
253.19479	5.0
255.21126	3.7
257.15381	1.5
257.19144	1.3
259.16959	1.8
261.18631	1.3
263.16415	3.5
265.19601	1.3
267.21045	3.7
269.22607	2.0
273.18372	1.4
279.21066	2.0
281.22729	1.6
283.20795	1.2
285.18628	1.1
291.21121	1.1
293.22784	1.8
295.24231	1.0
299.16681	1.3
299.19946	1.8
301.21658	2.0
303.21170	1.0
305.22778	1.1
311.23590	1.5
313.21533	2.1
333.47244	1.0
353.17178	1.0
357.25479	1.0
363.30438	1.1
369.24194	1.5
387.30463	11.4
388.31055	2.0
389.32037	17.1
390.32132	1.0
405.31503	42.6
406.31839	3.0
407.33270	20.6
408.33633	1.5
415.29800	3.1
421.31149	2.9
423.32510	16.8
424.32535	1.4
425.34341	4.0
433.31015	35.8
434.31268	3.2
439.31982	7.5
441.33444	2.7
451.32062	100.0
452.32291	10.2
453.33243	1.4
469.33127	94.6
470.33469	6.7
487.34244	19.5
488.34598	1.8
505.35251	1.9
653.36646	1.1
663.35168	1.5
671.37854	1.9
673.38928	1.9
681.36328	2.1
689.38428	1.6
699.37103	3.6
717.38287	15.5
718.38458	1.2
735.39429	1.5
776.54889	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.0
67.05510	31.8
67.05852	1.0
68.05800	0.6
69.03394	1.9
69.07075	10.5
70.95938	1.0
71.04975	1.2
71.08635	16.3
73.02926	3.8
79.05499	17.1
81.03402	0.8
81.07062	36.3
82.07359	0.6
83.04962	0.6
83.08625	10.4
85.02908	14.1
85.06555	1.1
85.10185	9.1
86.03235	0.5
87.04449	0.5
89.05990	1.3
91.03960	9.4
91.05485	10.8
93.07049	25.6
95.04923	2.0
95.08611	34.7
96.08925	0.6
97.02895	8.3
97.06495	1.6
97.10188	4.2
99.04438	1.1
99.08036	1.4
103.07563	0.6
105.04480	0.7
105.07044	7.0
107.07867	0.6
107.08603	14.8
109.10160	15.4
111.11694	0.9
113.09586	0.7
115.03897	1.1
117.07030	2.5
119.08591	6.7
121.09317	0.7
121.10156	13.6
123.11720	6.5
125.09631	0.6
127.03907	4.0
131.08592	6.4
133.10153	6.1
135.11702	8.8
137.09566	0.6
137.13307	2.5
145.04976	6.9
145.10120	5.1
145.68636	0.5
147.11671	4.1
149.13249	6.9
151.11090	0.7
151.14742	0.8
153.12679	0.7
159.11693	5.3
161.13206	3.2
163.06027	5.5
163.14842	3.8
173.13290	5.2
175.14799	1.6
177.16380	2.0
186.01294	0.5
187.14861	3.3
200.63342	0.6
201.16341	1.1
215.17952	1.1
231.30823	0.5
233.22574	1.6
239.23761	3.5
243.21104	10.5
257.24692	3.0
261.22159	37.5
262.22424	2.3
279.23267	1.1
299.23468	0.7
313.27374	100.0
314.27695	6.4
317.24789	6.7
335.25818	79.8
336.26157	5.1
388.46344	0.5
413.69949	0.5
456.87927	0.5
499.45114	0.8
573.48779	38.8
574.48999	5.2
591.50055	5.4
592.50256	1.1
628.80487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.9
67.05230	1.7
67.05515	19.8
68.99793	3.1
69.03432	36.9
69.07077	26.6
70.06609	2.4
70.52688	1.7
70.53027	3.4
70.88299	1.5
71.04989	5.0
71.08640	2.7
73.02919	4.4
79.05494	14.6
81.03421	25.9
81.07063	62.7
83.04967	3.9
83.08609	12.5
85.02907	100.0
87.00835	44.0
87.04496	1.9
91.05489	10.3
93.07052	30.0
95.04973	5.9
95.08614	65.5
96.08920	2.7
97.02896	40.1
97.06551	3.7
97.10168	7.8
99.04465	16.1
103.05436	2.1
104.21931	1.5
105.01868	63.2
105.07041	17.4
107.04961	3.7
107.08601	34.0
109.02884	30.2
109.06519	3.8
109.10162	37.5
111.04487	2.1
111.08089	2.6
111.11721	7.1
115.03960	1.9
117.01868	1.5
117.06997	3.1
119.08588	11.4
121.06532	2.6
121.10146	23.8
123.04447	3.4
123.08056	2.2
123.10892	2.7
123.11716	21.6
125.05997	2.1
125.13287	6.1
127.03922	74.5
128.04309	2.3
129.01810	2.4
129.07022	2.7
131.08604	4.3
133.10159	9.5
135.08076	2.4
135.11691	23.6
137.05940	3.4
137.09616	3.8
137.13271	18.3
139.11142	3.2
143.08611	2.2
145.04970	31.2
145.10144	3.7
147.02879	2.0
147.08066	3.3
147.11673	11.1
149.09610	2.1
149.13261	23.2
151.14832	6.8
153.01810	2.4
157.10175	2.0
159.02872	8.6
159.08098	1.8
159.11707	6.5
161.06029	1.6
161.13272	6.3
163.06050	1.6
163.14842	17.0
165.12740	2.5
165.16385	3.3
167.07104	2.8
167.14273	1.9
169.10162	1.9
171.11703	2.0
173.04362	3.0
173.09619	2.5
173.13284	3.8
175.14821	3.5
177.05481	1.5
177.16454	7.7
187.11172	1.8
189.03979	2.5
189.16356	3.6
191.18019	5.6
199.14851	2.2
203.17960	2.7
209.19095	2.5
213.03926	6.2
217.19565	2.5
221.95441	1.6
231.02893	2.6
231.05009	30.4
247.24263	3.0
249.06062	24.3
271.05634	1.7
271.24356	1.9
273.25751	29.0
277.05560	2.0
287.05463	6.1
289.25226	3.9
291.26828	17.5
292.27112	2.0
303.26688	2.1
309.27939	8.8
315.27090	2.0
327.29111	2.5
357.27567	1.9
381.27814	8.7
382.64819	1.8
393.10126	4.8
399.29160	12.8
407.07584	4.1
417.29916	6.8
435.30878	2.6
449.08450	2.7
485.28812	5.1
491.29816	2.2
503.30429	10.6
509.31015	2.0
521.31226	9.9
575.11847	3.1
611.13751	1.7
741.27081	1.9
773.19745	2.9
916.36786	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.6459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	30.2
69.07069	14.8
69.30342	4.5
69.30745	13.3
71.08636	16.0
73.02915	4.3
79.05489	6.8
81.07055	38.6
83.08614	14.6
85.02908	12.9
85.10195	9.2
89.06064	2.2
90.80216	2.2
91.03963	7.5
91.05480	5.8
93.07050	6.7
95.08613	35.8
97.02914	5.6
97.06531	5.3
97.10189	5.6
98.23351	2.2
105.07023	3.4
107.08623	6.0
109.10169	14.6
119.08585	3.1
121.10152	5.8
123.11706	3.9
127.03943	4.1
133.10155	3.6
135.11661	3.0
137.13290	4.2
145.04939	4.0
163.06046	5.5
163.14873	2.6
171.02927	2.0
239.23769	5.3
245.22719	5.6
263.23773	8.5
313.27353	100.0
314.27780	7.8
337.27374	72.9
338.27631	4.3
575.50360	71.9
576.51215	9.9
853.19257	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	30.3
69.03425	2.3
69.07070	14.0
71.04974	1.6
71.08284	1.3
71.08638	15.6
73.02914	2.9
77.74269	0.7
79.05485	7.9
81.07059	33.8
83.04982	1.4
83.08616	11.8
85.02911	11.1
85.03390	0.6
85.06548	1.4
85.10195	9.3
89.06031	1.5
91.03970	7.2
91.05472	5.0
92.89680	0.7
93.07049	9.6
95.08612	34.3
97.02905	5.9
97.06522	1.4
97.10178	8.3
99.04424	1.2
99.08126	0.8
105.07030	4.0
107.08592	5.4
109.09447	1.0
109.10158	14.6
111.08070	1.0
111.11705	1.6
119.07845	0.7
119.08556	3.6
121.10154	4.5
123.08092	0.8
123.11716	5.5
127.03927	2.5
133.10146	4.0
135.11687	2.6
137.13234	2.9
145.04947	4.6
147.11678	2.1
149.13304	1.5
151.14790	0.8
161.13283	1.9
163.06024	4.4
163.14841	1.1
165.16312	0.7
175.14836	2.3
189.16386	0.8
239.23628	3.5
245.22629	4.8
257.24704	1.4
263.23718	11.3
271.03510	0.9
313.27362	100.0
314.27661	4.8
334.36850	0.7
337.27371	75.8
338.27744	4.3
575.50330	64.4
576.50726	7.2
593.51166	1.4
646.22479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	2.0
69.03437	3.2
69.07066	0.8
71.01357	0.6
71.08644	1.1
73.02916	3.5
79.05510	1.2
81.03443	1.0
81.07060	2.2
83.08608	0.6
85.02907	5.7
85.03369	0.5
87.04482	0.3
90.74804	0.3
91.03965	2.7
91.05497	0.8
93.07066	1.4
95.08619	2.2
97.02897	5.3
98.22608	0.7
99.04496	0.8
101.02419	1.4
105.07062	0.7
107.08623	1.0
109.02865	0.7
109.10171	0.7
115.03893	0.5
119.08617	0.5
121.10197	0.4
127.03916	1.7
133.10107	0.5
135.11731	0.4
179.53154	0.3
185.04279	1.1
203.05418	0.7
207.63431	0.4
243.08305	1.7
268.03976	0.3
313.27402	0.5
335.26074	0.5
347.09354	2.5
365.10684	1.1
405.13629	5.0
405.18814	0.4
497.30786	2.4
519.29382	3.7
520.29401	0.4
659.36017	3.5
681.34589	7.4
682.34607	0.7
775.53058	1.0
937.58545	100.0
938.58777	13.7
938.77661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	95.8
69.07090	23.7
71.32660	14.0
71.33075	11.4
73.02914	12.6
78.97141	10.5
79.05495	80.4
81.07066	100.0
85.02917	37.4
86.32122	10.5
91.03939	27.2
91.05482	42.9
91.62664	9.8
93.07065	78.8
95.08620	87.9
95.73058	10.2
97.02914	19.0
105.07039	39.4
107.08615	53.3
109.10164	28.4
117.06966	12.3
119.08590	40.2
121.10161	54.7
123.11734	14.4
131.08604	30.4
133.10168	30.1
135.11703	27.0
145.10143	21.1
147.11690	12.0
161.13269	19.2
173.13269	13.3
187.14899	12.4
209.73059	10.3
229.19661	14.5
247.20695	16.9
252.44365	11.1
261.22235	13.3
321.24203	78.5
335.25800	80.5
337.27457	11.5
423.52966	11.6
443.16034	10.8
517.38391	12.6
521.98206	12.2
581.46112	25.9
599.46680	20.4
940.57776	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	952.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03428	10.2
69.07069	23.7
71.04996	8.3
73.02925	8.1
79.05494	76.1
81.06587	5.1
81.07064	93.7
83.08615	15.6
85.02920	36.7
91.03966	21.6
91.05481	76.1
93.07053	89.6
95.04977	8.9
95.08599	74.5
97.02886	16.8
97.06549	7.4
97.10172	7.1
98.23342	12.6
105.07029	88.1
107.08608	41.2
109.10139	28.2
111.08086	4.0
117.07033	31.8
119.08587	51.3
121.10139	40.7
123.08089	4.4
123.11714	9.8
127.03912	11.3
129.07004	10.8
131.08583	47.1
133.10138	67.3
134.10585	4.9
135.11717	31.5
142.48837	3.8
143.08589	11.1
143.98927	4.2
145.04948	11.3
145.10112	32.2
147.11690	33.5
149.13269	15.8
155.08533	4.7
157.10107	7.8
159.11714	43.4
161.13287	16.4
163.06038	13.8
171.11699	15.3
173.13283	27.7
175.14867	8.3
183.05118	4.4
183.11626	7.1
185.13283	6.7
187.14824	7.6
199.14815	7.1
215.18089	7.6
225.27051	4.4
227.11263	4.0
228.95140	4.1
241.19466	12.5
243.20987	6.7
257.18954	5.8
259.20563	36.6
261.22089	26.1
277.21695	5.5
293.13660	4.0
333.24249	74.9
335.25806	95.6
337.27548	5.7
373.15317	4.4
519.42303	4.0
593.45135	13.8
611.46527	23.5
952.60248	40.0
953.56458	9.9
981.19788	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	953.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.0
69.26854	4.0
69.27255	1.6
69.40593	0.8
79.05511	0.8
81.07082	2.0
84.07881	0.9
93.07053	1.0
95.08639	2.0
142.35609	0.9
335.25867	2.3
642.89301	0.9
953.55981	100.0
954.56219	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	954.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	66.3
68.05823	1.0
69.03436	3.5
69.07071	15.6
69.30020	0.9
69.30424	3.1
71.04978	1.8
71.08617	0.7
73.02917	4.9
77.03901	0.8
79.05496	46.9
80.05793	0.9
81.03426	2.6
81.07059	67.2
82.07399	1.2
83.04962	1.8
83.08619	7.7
85.02908	16.9
85.06529	1.7
91.03960	11.6
91.05482	28.7
92.05800	0.7
93.07046	50.9
94.07364	1.2
95.04964	4.4
95.08607	51.1
96.08909	0.7
97.02888	9.9
97.06526	2.7
97.10170	3.9
99.04457	1.3
99.08092	1.6
101.02393	0.7
105.04524	2.0
105.07031	23.8
107.08595	28.8
108.55074	0.5
109.02877	0.8
109.06516	2.1
109.10157	22.8
111.08083	2.1
111.11726	0.8
113.09586	0.8
115.03931	0.5
115.05499	0.8
117.07027	9.4
119.08583	18.8
121.10142	22.6
122.10468	0.7
123.08099	1.3
123.11717	8.4
125.09591	0.6
127.03905	4.7
129.05461	0.6
129.06947	2.7
131.08577	15.6
133.10130	16.6
135.10663	0.8
135.11700	15.7
137.09641	1.2
137.13228	2.8
139.11137	0.6
142.07794	0.5
143.08549	1.9
145.04956	5.1
145.10127	10.9
147.11682	10.7
149.09560	1.0
149.13271	9.8
151.11166	0.8
151.14806	1.3
155.08533	1.0
157.10141	2.6
159.11705	9.8
161.13252	8.4
163.06020	6.6
163.11195	0.9
163.14810	5.6
165.12752	0.6
169.10173	0.7
171.11684	2.9
173.13249	8.5
175.14824	4.6
177.12712	0.6
177.16364	1.5
185.13306	2.1
187.14812	3.9
189.16322	1.2
191.14381	0.7
195.13834	0.5
197.13278	1.0
199.14861	2.1
201.16388	2.0
203.18021	1.3
205.15999	0.7
215.17973	1.3
217.19354	0.7
231.21100	0.8
233.22643	0.8
241.19606	3.2
243.21068	5.7
245.22725	1.1
259.20581	9.6
260.20822	0.8
261.22141	21.3
262.22577	0.9
263.23682	2.2
273.22250	0.7
277.21631	1.0
279.23175	1.1
281.21024	0.6
287.23859	0.7
299.23593	1.1
301.25235	0.8
313.25250	0.7
315.23193	0.8
315.26639	0.8
317.24808	3.7
327.26941	0.7
333.24225	7.2
335.25800	100.0
336.26181	5.1
337.27396	11.6
338.27490	0.6
355.30096	0.8
389.30249	0.6
431.25024	0.6
449.07224	0.5
487.37646	0.5
521.43475	3.0
539.44183	1.2
543.40143	0.9
595.47223	16.7
596.47400	2.3
613.48340	16.5
613.58276	0.4
614.48639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	53.7
68.05848	0.8
69.03438	2.8
69.06725	1.0
69.07072	13.0
71.05023	1.5
73.02914	4.4
77.03913	0.8
79.05495	38.4
80.05830	0.8
81.03419	1.3
81.07059	53.4
82.07365	0.7
83.04974	2.1
83.08620	6.1
85.02908	15.1
85.06555	1.1
85.10193	0.7
91.03954	9.6
91.04888	0.9
91.05479	22.9
93.07047	39.9
95.04974	4.3
95.08608	41.7
97.02885	7.9
97.06544	2.4
97.10172	2.6
99.04467	0.7
99.08092	1.6
105.04554	1.1
105.07030	16.8
107.08599	23.0
109.02869	1.0
109.06519	1.6
109.10155	20.3
111.08058	1.3
111.11711	0.9
113.09657	0.7
115.03912	0.9
117.07024	6.8
118.90527	0.7
119.08580	14.2
121.10143	17.7
123.08077	1.0
123.11707	7.1
125.09654	0.8
127.03897	4.2
129.07016	1.2
131.08572	11.6
133.10126	11.2
135.11705	11.9
137.09576	0.9
137.13280	2.2
143.08574	2.0
145.04955	6.4
145.10147	8.7
147.11693	10.1
149.09596	1.1
149.13257	7.4
151.14767	0.9
155.08644	0.7
157.10118	1.6
159.11716	9.7
161.13266	6.2
163.06020	7.3
163.11186	0.8
163.14832	5.8
171.11720	2.4
173.13269	6.3
175.14864	4.2
177.16399	1.6
181.37688	0.7
185.13293	1.8
187.14862	3.4
189.16367	1.6
199.14833	2.0
201.16409	1.4
215.17949	1.5
229.09894	0.7
233.22549	0.9
241.19560	4.8
243.21069	5.1
259.20590	7.7
261.22131	19.2
262.22504	0.9
263.23746	2.0
277.21509	0.9
279.23352	1.6
289.21606	0.9
299.23648	1.0
315.23291	0.9
317.24814	3.3
333.24252	7.9
335.25803	100.0
336.26178	5.5
337.27338	12.9
369.32901	0.7
503.43396	0.9
521.43567	2.7
539.44611	1.1
595.47180	15.4
596.47382	1.9
613.48212	15.2
614.48383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.2
69.03428	2.0
69.37634	4.7
70.06575	0.8
75.04482	1.5
78.04723	1.2
79.05477	4.9
81.03410	3.7
82.04171	0.9
85.02892	7.1
88.78123	0.7
89.03915	0.9
91.05472	8.2
93.03404	5.6
93.07032	1.7
94.04172	1.3
95.04971	4.5
97.02908	2.0
97.06516	2.4
98.05846	1.0
99.04446	0.9
102.04655	0.9
103.03955	0.7
103.04777	1.3
103.05455	19.7
105.03381	1.1
105.07031	8.7
106.04178	7.0
107.04949	10.9
108.02110	1.3
109.02864	1.0
109.06487	1.5
110.03649	3.7
111.04438	4.9
113.47263	0.7
115.05444	7.1
117.03397	0.8
117.07030	5.9
118.04165	4.5
119.04917	5.8
119.08562	1.1
120.05761	1.0
121.06495	8.5
122.03604	2.3
123.04461	3.6
124.05232	1.8
125.05991	8.6
127.03868	1.3
128.06226	1.5
129.07001	2.3
130.04126	2.1
131.04924	22.8
131.08514	1.4
132.05678	1.6
133.02817	4.5
133.06493	7.0
134.03607	2.1
135.04453	1.1
135.08002	1.3
137.05965	19.9
138.03111	1.6
141.06950	1.1
142.02527	1.5
143.04948	1.7
144.05710	1.7
145.02895	0.8
145.04939	0.8
145.05241	0.8
145.06465	8.8
146.03625	2.1
146.07045	0.9
147.04395	5.3
147.08000	2.0
148.05186	12.3
149.05980	14.2
151.03909	16.3
151.05020	1.0
151.07498	3.4
152.04678	1.3
153.05466	16.6
153.09099	2.7
155.05984	1.9
155.07124	0.7
157.06456	1.7
159.04295	0.9
159.08090	4.0
160.05148	2.0
161.05974	10.2
162.06448	1.0
163.03891	2.1
163.07527	22.3
164.07930	0.8
165.05493	1.9
167.07033	62.3
168.07361	1.8
169.06500	0.9
171.04346	1.1
171.06512	2.9
173.05980	11.6
174.06674	1.2
175.07558	7.8
176.04665	2.6
177.05478	10.2
177.09097	1.0
178.06064	0.9
179.07050	9.7
179.08521	1.0
181.04953	80.2
181.08458	7.5
182.05272	1.8
183.06461	0.9
185.05948	0.8
186.06747	2.7
187.07494	6.3
189.05466	1.8
189.09091	1.7
190.06235	3.5
191.07022	100.0
192.07431	3.2
193.05043	1.7
193.08562	5.2
195.06506	4.5
197.08026	1.1
199.07532	1.3
201.05391	1.1
201.09113	1.0
203.07005	5.8
203.08612	0.9
205.06636	1.6
205.08530	11.4
205.10451	0.9
206.07246	1.1
207.06514	2.2
207.08247	1.3
207.10213	2.0
208.08847	1.1
209.08069	39.6
210.08325	0.8
211.07558	0.9
213.05539	0.8
216.07777	2.5
217.08617	7.0
218.07288	1.3
218.09273	1.0
219.08046	4.0
219.10172	6.1
220.08852	2.0
221.06020	1.4
221.08002	1.9
223.09763	1.1
225.05528	1.1
225.07445	1.5
229.08548	3.5
233.05934	1.5
233.07895	6.8
234.06714	1.5
235.07513	2.7
235.09662	8.4
236.08186	3.4
237.09126	2.1
239.06975	1.4
245.08064	3.1
246.06618	1.1
247.07544	3.0
248.08249	1.6
249.09093	2.4
250.06252	0.9
251.07016	1.0
251.10912	3.7
253.08563	1.6
263.09155	35.7
264.07623	4.3
265.08313	4.0
265.10825	2.8
266.09113	1.1
267.10175	3.9
268.11029	1.0
271.09766	1.0
275.06802	1.3
276.07825	2.6
277.08582	2.3
278.09122	1.2
279.07339	0.8
279.10092	5.0
280.07330	1.0
280.10739	1.0
281.08215	1.4
281.11505	1.3
283.13184	1.3
291.06720	0.9
291.09897	1.4
292.07269	2.3
293.08029	2.5
293.11411	0.8
294.08572	1.4
295.09656	2.0
296.10400	1.6
297.11218	1.8
307.09634	16.3
307.13000	0.7
308.10345	3.0
309.11133	1.9
311.12576	3.0
319.09619	1.0
325.10583	3.4
327.12381	0.9
329.09985	1.1
330.10614	0.9
331.11963	1.0
337.06842	0.8
337.10663	3.3
339.12262	32.9
340.12650	2.1
341.13904	5.1
351.12228	6.0
352.12683	0.9
353.14041	1.7
355.11618	1.6
357.13336	10.1
365.13635	1.0
367.11703	2.1
369.13300	7.5
370.13892	1.0
371.14932	2.3
372.86761	0.8
381.13245	1.3
385.12708	12.8
386.13049	1.5
387.14331	13.7
388.14621	0.9
399.14270	4.8
400.25552	0.9
401.15973	1.7
417.15421	47.2
418.15677	2.9
425.36588	0.8
519.18311	2.3
531.19293	1.0
544.68878	0.8
547.19116	1.7
549.20459	2.4
579.20959	4.3
711.24323	3.1
741.25983	2.2
868.76917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.3
67.07402	1.0
69.03425	4.2
70.06567	1.1
71.30643	1.1
71.48798	0.9
72.26844	1.0
75.04443	0.9
78.04725	1.3
79.05495	5.8
81.03426	2.3
81.07060	1.6
82.04186	2.2
83.04980	1.0
85.02908	9.2
89.03893	1.1
91.05476	10.0
93.03412	6.6
93.07035	1.8
95.04964	5.9
95.08602	1.4
97.02905	3.5
97.06539	1.5
98.40352	1.0
103.05474	19.0
105.03374	2.3
105.07027	6.9
106.04179	5.3
107.04948	12.8
109.02917	1.2
109.06504	2.5
110.03659	7.1
111.04459	7.0
111.08081	1.0
115.05454	6.7
117.06993	5.9
118.04163	4.6
119.04952	4.9
119.08591	1.3
121.06522	8.4
122.03691	1.5
123.04401	5.1
124.05198	1.4
125.05988	11.1
127.03902	1.3
128.06316	1.0
129.07059	2.5
131.04932	22.4
131.08540	2.0
132.05728	1.9
133.02849	4.1
133.06499	7.9
134.03690	1.2
135.04385	2.4
135.08043	1.9
137.05988	13.6
138.03133	1.7
142.02600	2.3
143.04924	2.0
144.05717	2.1
145.06468	9.6
147.04390	6.3
147.08017	2.8
148.05177	9.9
149.05992	14.7
151.03923	9.0
151.07547	3.9
152.04739	1.3
153.05464	34.0
153.09094	1.7
155.06035	1.7
156.05666	1.4
157.06497	1.1
159.04375	1.5
159.08031	6.3
160.05223	1.7
161.05986	11.9
163.03860	2.5
163.07538	23.2
165.05460	2.6
165.06958	1.6
167.07045	71.8
168.07475	1.8
171.04417	2.1
171.06561	2.3
173.05981	12.3
174.06636	1.5
174.79347	1.0
175.07532	7.8
176.04669	3.4
177.05498	8.4
179.07060	10.0
179.08490	1.7
181.04959	77.0
181.08438	6.1
182.05298	1.2
183.06563	1.4
184.73859	1.1
185.06050	2.1
186.06772	4.6
187.07529	10.7
189.05473	2.5
189.09108	2.0
190.06165	3.2
191.07030	100.0
192.07430	3.6
193.08627	6.9
195.06555	4.9
199.07628	1.2
201.05389	2.1
201.09074	1.6
203.07010	5.0
203.08656	1.5
205.06693	2.1
205.08569	12.6
206.07259	1.5
207.06535	3.0
207.08226	2.2
207.10185	2.5
208.08833	1.7
209.08072	27.6
214.06259	1.0
216.07715	4.8
217.08556	7.4
218.07323	2.9
219.08035	4.5
219.10182	4.4
221.05994	2.0
221.07939	1.6
222.06743	1.5
223.07632	1.5
225.07515	2.6
229.08623	4.4
233.06015	1.6
233.08020	7.1
234.06728	2.8
235.07466	4.3
235.09663	10.4
236.08211	5.7
237.09120	1.9
245.08136	1.2
246.06941	1.2
247.07532	4.1
247.09752	1.7
248.08319	3.0
249.05411	1.1
249.09044	4.3
250.06155	1.3
251.06816	1.7
251.10863	7.5
253.08556	2.3
263.09146	34.2
264.07678	7.5
265.08517	4.6
265.10736	3.7
266.09308	1.2
267.06589	1.2
267.10233	3.5
268.10736	1.2
275.07086	2.0
276.07809	3.0
277.08548	4.4
278.09265	2.1
279.07376	1.1
279.10144	6.8
280.10825	2.3
281.08255	2.4
281.11752	2.0
283.13336	4.2
291.10031	1.1
292.07278	2.0
293.07901	2.1
294.09027	1.1
295.09647	2.3
296.10416	1.4
297.11273	2.3
299.08981	1.2
305.07874	1.4
307.09610	25.6
308.10077	5.4
309.11108	3.9
311.13019	4.8
319.09546	2.4
321.11029	1.8
323.12668	1.5
324.09857	2.2
325.10681	3.4
329.10205	1.7
329.13776	1.5
331.11765	1.3
337.10684	4.6
339.12259	64.3
340.12772	4.4
341.13882	9.4
351.12308	9.2
352.12988	1.2
353.13818	2.6
355.11755	1.7
357.13315	10.4
367.11658	1.7
369.13266	11.1
370.13892	1.8
371.14633	2.7
383.15179	1.5
385.12811	15.3
387.14420	8.4
399.14435	7.6
401.16055	2.0
417.15451	49.4
418.15604	2.6
519.18896	4.7
531.18622	1.4
533.21924	1.1
549.20514	1.8
579.20972	4.9
741.25494	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	956.63
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	87.3
69.03431	4.4
69.07073	30.2
69.11518	2.5
69.11932	6.6
70.07433	1.4
71.04995	3.8
71.08642	2.4
73.02902	8.1
77.03885	1.1
77.05504	1.1
79.05495	50.2
80.05815	1.5
80.35284	1.1
81.03431	2.5
81.07060	93.9
82.07394	1.4
83.04977	2.8
83.08627	16.3
85.02908	26.2
85.06554	1.9
85.10235	1.5
91.03960	15.4
91.05486	25.1
93.07050	56.1
94.07385	1.2
95.04964	5.2
95.08609	73.8
96.08955	2.5
97.02905	15.4
97.06541	4.6
97.10177	9.4
99.08122	2.6
105.04520	2.3
105.07036	20.3
107.08594	26.5
108.08897	1.2
109.06545	2.0
109.10161	37.1
111.08090	2.1
111.11739	2.0
113.09675	1.2
117.07025	7.2
117.79144	1.1
119.08586	18.5
121.10143	23.8
123.11716	13.1
125.09624	2.1
127.03920	7.4
131.08574	12.5
133.10138	16.6
135.11696	19.2
137.13260	5.5
145.04961	6.8
145.10138	13.9
147.11690	11.7
149.13268	11.3
151.14877	1.7
157.10167	2.1
159.11720	6.9
161.13261	11.8
163.06061	9.3
163.14828	7.1
171.11694	1.4
173.13318	7.7
175.14841	5.6
177.16391	2.3
179.17955	1.7
185.13255	2.0
187.14873	3.1
189.16333	2.5
191.18028	1.7
201.16370	1.5
203.17999	1.5
236.70412	1.2
241.19598	2.9
243.21133	7.1
245.22668	2.8
259.20612	5.0
261.22180	25.8
262.22427	1.6
263.23615	5.4
273.22064	1.2
306.56116	1.3
317.24756	4.7
333.24164	4.7
335.19858	1.7
335.25818	85.0
336.26233	5.4
337.27371	100.0
338.27765	7.8
339.29010	7.5
343.30167	1.4
523.45148	3.8
531.40790	1.7
541.46088	2.1
597.48785	37.1
598.48993	6.4
615.40118	2.1
615.49841	33.4
616.50018	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	958.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	68.1
68.05835	1.9
69.03436	2.4
69.07062	30.4
71.04983	2.2
71.08627	3.2
73.02918	5.2
79.05499	26.6
81.03415	1.4
81.07060	73.4
82.07404	0.9
83.04986	1.9
83.08627	17.7
85.02908	17.4
85.06545	2.1
85.10188	1.8
88.53420	0.7
91.03965	12.5
91.05480	15.4
93.07047	27.1
95.04972	2.2
95.08612	57.8
96.08915	1.2
97.02905	9.7
97.06524	5.2
97.10175	8.2
99.04470	0.8
99.08105	1.8
105.04498	1.0
105.07040	12.6
105.07722	0.7
105.71283	0.7
107.08602	15.2
109.02840	0.9
109.06545	1.2
109.10165	21.0
111.08098	2.5
111.11727	2.0
115.03920	1.0
117.07032	2.8
118.09561	0.7
119.08595	10.3
121.10153	10.9
123.08112	0.8
123.11712	9.4
125.09589	1.3
127.03906	4.3
131.08574	5.4
133.10138	8.6
135.11705	7.6
137.09645	1.1
137.13252	4.5
139.11290	1.0
145.04933	4.7
145.10092	3.7
147.11681	5.1
147.15059	0.9
149.09531	1.1
149.13278	4.5
151.14838	2.2
152.02782	0.7
159.11717	1.8
161.13263	5.6
163.06027	5.9
163.14827	4.3
165.16403	0.9
167.14275	0.8
173.13297	2.0
173.19238	0.7
175.14812	2.9
177.16391	2.3
179.17921	1.1
185.13321	1.3
187.14830	1.2
189.16354	1.4
243.21114	2.9
245.22639	4.0
261.22110	6.4
263.23703	6.0
325.27670	0.8
335.25818	7.0
337.27377	100.0
338.27814	6.4
339.28973	9.7
344.56281	0.8
344.60376	0.8
507.45547	1.0
525.46838	2.7
543.47314	2.3
599.50330	34.4
600.50476	3.3
617.51398	30.0
618.52014	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	959.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.8
69.03429	3.9
69.03759	0.3
69.07066	0.8
70.84856	0.3
71.01366	0.6
71.05016	0.6
73.02919	3.3
79.05495	2.6
80.17719	0.3
80.66347	0.3
81.03443	1.6
81.07063	3.4
85.02902	6.0
85.03352	0.3
87.04487	0.7
91.03954	3.7
91.05473	1.4
93.07040	2.7
95.05022	0.4
95.08620	2.3
97.02900	6.4
97.10178	0.5
97.15598	0.3
98.22585	0.5
99.04494	0.9
101.02393	2.1
103.00902	0.3
103.03930	0.5
105.07068	0.9
107.08598	1.5
109.02923	0.9
109.10164	0.8
115.03959	0.5
119.08591	0.6
121.10181	1.1
123.11723	0.3
127.03922	1.8
131.08594	0.6
133.10196	0.4
134.13144	0.3
135.11757	0.8
145.05035	0.5
145.10223	0.3
147.11739	0.3
147.19566	0.3
149.13345	0.4
159.11743	0.4
185.04254	0.7
203.05377	1.0
243.08397	2.4
248.39261	0.3
259.08163	0.5
272.86438	0.3
279.36920	0.3
335.25803	0.5
337.26962	0.5
339.29291	0.5
347.09451	2.4
363.09232	0.9
365.10822	1.1
405.13687	6.5
405.18729	0.4
519.29279	5.8
519.36359	0.4
681.22729	0.6
681.34558	12.9
682.35352	1.1
797.51929	1.1
959.56982	100.0
960.57257	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	961.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
66.95856	1.0
67.05508	7.0
69.03436	12.1
69.07082	4.0
71.01384	1.1
71.04996	19.8
73.02927	7.9
75.04482	2.9
79.05497	5.0
81.03418	3.2
81.07064	13.2
83.04980	10.8
83.08620	2.1
85.02909	45.2
85.06560	1.1
87.04465	1.5
91.05477	7.1
92.99973	0.8
93.07048	13.2
95.04967	7.7
95.08611	31.3
97.02896	10.4
97.06551	2.4
97.10206	1.5
99.04457	3.1
103.05511	1.0
103.48260	0.8
105.07030	15.8
107.04974	1.4
107.08599	17.1
109.02871	1.7
109.06529	2.6
109.10158	10.8
111.04449	7.3
111.08074	1.5
113.06049	1.4
115.03944	7.3
116.06248	0.9
117.07042	4.2
119.08585	34.1
121.06525	3.1
121.10157	13.3
123.08066	3.2
123.11734	3.3
125.09677	1.2
127.03952	3.7
128.06209	1.4
129.05482	13.6
129.07016	2.6
130.07767	1.2
131.08577	13.8
133.04993	1.2
133.10130	14.7
135.08076	3.7
135.11732	6.3
137.09605	2.7
139.03938	1.1
141.07024	1.5
142.07753	1.8
143.08598	8.9
145.04951	4.0
145.10132	22.2
146.10419	1.0
147.06520	7.4
147.08049	3.7
147.11697	8.5
149.09650	3.7
149.13251	3.9
151.11256	0.8
155.08592	3.2
156.09348	1.3
157.10121	12.2
159.08064	1.8
159.11702	14.2
161.09650	2.9
161.13263	8.7
163.11174	1.9
163.14810	5.9
168.09261	1.2
169.10144	3.3
170.10892	1.2
171.06462	1.1
171.11668	9.2
173.09700	1.5
173.13266	12.4
175.11214	1.9
175.14838	7.2
177.12779	2.7
177.16422	3.2
179.08774	0.9
179.14235	0.9
182.10896	1.0
183.11621	4.7
184.12383	1.2
185.13269	8.7
187.11172	1.2
187.14819	33.6
188.15155	1.3
189.12781	5.6
189.16345	7.6
191.10512	0.9
191.14282	4.3
193.15709	1.0
195.11719	1.9
197.13159	3.9
199.14786	10.0
201.12689	2.3
201.16385	13.5
203.14323	30.4
203.18005	2.2
205.15900	8.2
209.13199	1.0
211.14873	2.6
213.12790	1.7
213.16377	9.0
215.14417	3.9
215.17937	4.6
217.15880	6.9
219.17465	2.4
221.13438	0.9
221.15448	1.6
223.14862	1.7
225.07578	3.2
225.16386	3.1
227.17973	3.0
228.89943	1.1
229.15895	6.2
229.19482	1.0
231.17473	5.3
233.15456	2.5
239.18019	2.5
241.15887	1.3
241.19548	1.8
242.60808	1.0
243.08716	1.7
243.17442	1.4
245.15573	1.6
245.18852	1.0
247.16872	2.6
253.19554	1.8
255.17471	1.2
259.17093	1.6
261.09933	1.0
267.21060	1.4
273.09622	1.2
279.10800	3.1
283.20526	1.1
307.24243	0.9
309.11880	4.9
309.25745	1.1
327.23206	1.0
341.32736	0.8
385.28995	1.8
391.29935	3.0
393.31705	1.1
403.29852	5.4
405.31506	3.4
419.29071	1.4
421.30988	8.9
423.32596	3.7
431.29404	2.3
437.30566	4.7
439.31857	4.9
449.30481	10.6
451.32086	0.9
455.31592	76.6
456.31921	4.5
467.31616	18.8
468.31857	1.6
485.32629	100.0
486.32916	8.0
496.34229	1.5
503.33685	81.5
504.33838	5.1
521.34760	21.8
522.34888	1.7
587.35938	6.8
617.37128	7.2
631.38379	1.5
635.37817	3.2
667.40192	3.5
683.39832	1.4
763.42285	3.4
961.34851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.5
67.57752	0.2
69.03429	3.7
69.07076	1.1
69.07839	0.7
69.08261	0.7
71.01361	0.4
71.04988	0.4
71.08631	0.2
73.02920	3.4
73.03303	0.2
79.05495	2.0
81.03421	1.5
81.07059	3.0
82.54175	0.1
83.08624	0.5
84.50324	0.1
85.02906	5.5
87.04469	0.7
87.71946	0.2
91.03964	2.7
91.05469	1.1
93.07040	1.9
95.04977	0.2
95.08607	2.5
96.08935	0.2
97.02892	5.8
97.03488	0.3
97.10199	0.3
97.92323	0.2
99.04469	0.8
101.02385	1.4
103.04009	0.3
105.07081	0.8
107.08616	1.1
109.02914	0.7
109.10165	0.8
114.73148	0.2
115.03944	0.4
119.08613	0.5
121.10181	0.7
122.24454	0.2
123.11700	0.2
127.03902	1.3
131.08549	0.3
133.10156	0.4
135.11757	0.3
144.65979	0.2
145.05042	0.3
147.11739	0.3
168.67397	0.2
180.15924	0.2
185.04280	0.7
201.03792	0.2
203.05350	0.8
218.36389	0.2
243.08411	1.6
276.84491	0.2
305.08505	0.2
335.25995	0.4
337.27679	0.4
347.09479	2.1
347.13373	0.2
363.09134	0.6
365.10550	1.0
405.13635	4.8
405.18719	0.3
406.14243	0.3
519.29358	2.1
521.30872	2.5
522.31757	0.2
681.34473	5.2
681.45551	0.3
682.35156	0.6
683.36090	8.3
684.36841	0.5
799.52905	1.4
800.54370	0.2
961.58551	100.0
962.58905	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	961.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	4.3
69.03418	3.9
69.07076	1.2
69.15724	3.9
69.16134	1.5
73.02913	3.8
75.69249	0.6
76.69449	0.6
79.05512	1.2
81.03445	1.4
81.07065	3.1
83.08657	0.9
85.02891	5.7
91.03959	3.0
91.05508	1.8
93.07050	2.4
95.08643	3.3
97.02894	6.7
98.06947	0.5
101.02392	1.4
107.08647	1.2
109.02907	1.0
109.10189	1.1
119.08637	0.6
121.10158	0.7
127.03960	2.1
185.04219	0.9
243.08463	1.9
337.27505	1.1
347.09677	1.2
363.09006	1.0
365.10831	0.9
405.13651	6.5
432.65503	0.6
519.28967	3.4
521.31274	2.6
577.29492	0.7
681.34589	4.9
683.36237	7.6
799.52985	1.3
961.58459	100.0
962.58783	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	963.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99768	0.2
69.03432	1.0
69.19765	0.2
69.20076	1.5
71.04977	0.4
74.81569	0.2
77.03906	0.2
78.04688	0.5
79.05492	1.0
81.03416	1.1
81.07011	0.3
83.04951	0.5
85.02908	2.9
90.04678	0.2
91.05454	1.0
93.07005	0.5
95.04959	0.4
95.08556	0.2
97.02851	0.9
99.04453	2.8
102.04660	0.4
103.03940	1.8
103.05456	2.4
104.06248	1.6
105.06374	0.3
105.07024	3.9
106.04148	0.7
107.04958	1.3
107.08585	0.4
109.02900	1.6
115.05445	1.4
117.03343	0.5
117.06992	0.2
118.04169	1.0
119.04955	0.5
121.06508	1.6
123.04403	0.2
125.05936	0.2
127.03898	1.9
130.04120	1.1
131.04927	9.2
132.05717	9.4
133.06499	3.7
134.03633	0.2
134.07222	0.8
135.04375	0.2
137.05997	0.2
140.04715	0.4
143.04953	0.2
143.06030	0.3
145.02882	0.3
145.04944	0.2
145.10072	0.2
146.03593	1.1
147.04355	0.9
148.05128	0.4
149.05975	8.5
151.03844	0.2
151.07411	0.3
153.00661	0.3
153.01828	4.1
154.06255	1.7
159.04393	0.3
160.05208	3.6
161.02327	0.3
161.05981	11.4
162.03082	0.4
162.06764	3.8
163.03905	0.4
163.07491	0.6
164.08353	1.4
165.05511	0.2
166.06198	0.4
167.07037	5.5
173.06029	0.3
176.04709	1.1
177.05460	3.4
178.06270	1.4
179.07002	0.5
180.07813	0.4
181.08595	4.3
182.09393	1.2
191.07028	4.2
192.07811	8.6
193.08591	4.2
197.06004	0.2
203.03410	1.2
208.07182	0.3
209.06175	0.3
209.08096	3.5
210.08850	1.9
213.05434	0.6
225.05392	0.5
229.04976	3.4
238.93690	0.2
239.07002	0.2
241.04942	1.9
242.05711	2.7
253.04893	0.9
255.06566	0.2
256.07135	0.3
257.04443	35.7
258.05173	6.9
259.05701	0.5
267.06619	0.3
269.04459	0.7
270.05173	0.6
271.05896	0.4
272.06876	0.3
281.04471	0.2
283.05978	0.7
285.03931	5.6
286.04709	19.3
287.05475	13.4
288.05783	0.5
292.13101	0.6
294.10916	0.7
295.06018	1.1
297.03928	7.7
298.04388	0.3
299.05496	0.5
300.06323	1.4
311.05478	3.0
323.05463	8.1
324.05914	0.3
327.04904	0.3
336.12088	0.4
341.06506	1.2
354.12924	0.9
357.07742	0.3
384.06107	0.4
399.08908	0.3
403.07919	0.3
412.05777	0.4
413.06464	0.3
416.08795	0.3
417.09628	0.8
419.07794	0.4
427.08282	0.3
444.08658	0.3
445.09180	6.3
446.09433	0.3
447.07120	0.6
462.09457	1.4
465.11710	0.3
477.11798	15.0
478.12094	0.9
495.12839	6.8
496.13431	0.3
504.34338	0.2
577.17065	5.2
578.17133	0.4
579.14447	0.6
603.14880	0.9
604.15649	0.2
621.16034	4.9
621.25604	0.4
622.16333	0.4
639.17059	100.0
640.17389	6.9
651.17358	0.3
681.18164	0.5
765.19696	0.4
783.21051	0.5
801.22192	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	963.6013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	4.3
69.03435	3.6
69.07076	1.1
70.73103	0.4
70.73430	0.3
71.01357	0.6
71.05000	0.6
73.02923	4.1
73.74810	0.2
77.26243	0.2
79.05489	1.7
81.03422	1.9
81.07053	4.5
83.01361	0.3
83.08620	1.3
84.55762	0.2
85.02908	6.2
87.04480	0.4
90.71921	0.2
91.03957	4.4
91.05505	1.1
93.07026	1.4
95.08611	3.7
97.02894	7.0
97.10212	0.6
98.59363	0.3
99.04460	1.3
101.02363	2.4
103.03963	0.3
105.07053	0.7
109.02925	1.0
109.10167	1.4
109.20471	0.2
115.03962	0.6
119.08599	0.4
121.10149	0.5
123.11739	0.8
127.03918	1.7
133.10190	0.3
137.30688	0.2
145.05017	0.6
161.13239	0.3
161.35550	0.2
167.03221	0.3
185.04337	0.9
201.03809	0.3
203.05363	1.1
215.55513	0.2
243.08421	2.2
259.07922	0.3
263.23770	0.3
337.27545	0.9
347.09509	3.2
356.62256	0.2
363.09207	0.7
365.10571	1.6
365.14496	0.3
386.14276	0.2
405.13675	6.9
521.30859	8.0
522.31152	0.3
555.28369	0.2
668.64191	0.3
683.36121	11.6
684.36633	1.2
801.54865	0.9
963.60138	100.0
964.60425	12.6
964.80676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87579	1.3
76.76855	0.4
98.22660	0.5
168.36577	0.5
204.04195	0.5
387.39063	0.5
434.94205	0.6
454.16687	0.7
455.13022	0.7
456.14590	0.7
457.18506	0.5
467.17587	0.6
468.14484	1.5
469.14795	5.4
470.15921	1.8
471.16733	1.1
481.15399	1.6
482.15845	6.3
483.16599	8.6
484.17279	2.2
485.18289	1.0
495.17172	2.3
496.17447	4.1
497.18210	31.7
498.18665	6.6
499.19586	0.7
500.17001	0.8
510.19089	1.1
511.19833	4.2
512.20190	1.3
515.19250	1.4
528.16504	1.6
538.20142	0.6
539.19727	0.6
541.17297	0.7
542.17902	1.4
555.18384	2.7
556.19287	2.9
557.20142	2.8
616.21631	1.4
617.22229	0.6
625.23169	0.6
629.22198	0.8
642.55994	0.7
643.23901	8.3
643.34082	0.8
644.24658	9.3
645.24597	1.8
657.25482	6.7
658.25500	1.3
660.24249	1.8
675.26599	100.0
676.26776	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	966.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.4
69.03413	0.3
69.07068	0.3
70.34771	0.3
70.35113	0.5
79.05491	6.9
81.03414	0.6
81.07050	0.9
83.04970	0.7
83.08619	0.2
85.02891	0.3
89.03926	0.9
89.05898	0.2
90.04705	0.8
91.05473	2.6
93.07045	1.1
95.04968	1.3
95.08617	1.0
97.02923	0.3
97.06528	0.7
99.04453	0.6
103.05463	7.7
105.07027	59.1
106.07373	1.3
107.04942	0.6
107.08589	0.8
109.02893	0.9
109.06524	0.7
109.10167	0.5
111.08086	0.6
115.05452	12.7
116.05772	0.4
118.04159	4.7
119.08591	0.5
121.06514	1.3
122.23679	0.2
123.11726	0.3
125.06001	0.6
125.08855	0.2
127.03907	0.7
127.07541	0.2
131.04912	2.2
132.05676	0.7
133.06485	56.4
134.06825	1.7
135.08038	0.4
137.05977	0.3
137.09633	0.3
139.07561	0.4
143.04915	1.2
143.06036	5.1
143.07047	0.5
143.08501	0.3
144.06412	0.3
147.11728	0.9
161.05972	100.0
162.06319	3.9
165.09169	0.4
165.12794	0.3
167.07019	0.3
171.11687	0.4
175.11191	0.7
178.06174	0.2
189.12779	0.5
193.08600	76.3
194.08939	3.0
199.11142	0.5
205.08705	0.3
211.13286	0.7
217.12250	1.3
229.14311	0.3
235.13309	1.1
253.14345	2.3
271.15280	0.5
282.79187	0.2
300.89474	0.2
373.60608	0.2
379.17276	0.3
397.18387	0.8
415.19351	0.7
433.20804	0.3
655.31677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	28.5
69.03442	1.6
69.07069	13.5
69.30270	8.9
79.05497	22.1
81.07063	35.2
81.16682	1.1
83.05000	2.6
83.08633	3.3
91.05485	25.2
93.07045	27.7
95.04967	2.0
95.08607	23.5
97.06535	3.2
97.10123	2.1
98.23372	1.4
105.07024	19.8
105.07672	1.7
106.04681	1.2
107.04984	2.8
107.08587	12.0
109.06523	6.2
109.10117	6.5
117.07021	7.7
119.08575	16.6
121.10142	9.3
123.08093	2.2
123.11722	2.7
129.07001	2.1
129.09146	3.2
131.08560	12.3
133.10135	11.2
135.11682	5.2
137.09688	2.0
145.10172	8.2
147.11681	3.2
149.09596	2.1
149.13269	2.9
157.10181	1.4
159.11707	7.2
161.13335	2.0
169.68571	1.5
173.13260	3.5
176.48080	1.5
185.13121	2.4
201.16353	2.6
219.17447	66.1
220.17883	3.3
257.18991	1.9
261.22110	1.8
271.15414	2.4
275.20056	20.7
293.21060	2.0
335.25806	69.0
336.26181	3.8
349.23718	17.7
364.77786	1.6
609.45123	100.0
610.45514	10.6
969.57098	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	969.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05468	1.9
69.03407	1.0
77.18678	0.5
79.05457	1.6
80.05000	0.7
82.06524	0.6
85.02875	1.3
91.05450	1.4
93.07014	1.9
93.24428	0.4
94.06036	0.5
94.06574	5.5
95.04935	0.6
95.07333	2.7
95.08604	0.7
96.04497	0.4
96.08137	4.8
97.02854	0.6
97.06533	0.7
98.23398	0.9
100.64372	0.5
101.60279	0.4
103.05457	0.6
105.06997	1.5
106.06511	0.5
108.04440	1.6
108.08117	5.4
110.08989	0.8
110.09682	10.0
120.08110	5.8
121.06493	0.5
122.05278	0.5
122.06043	6.4
122.09676	0.7
124.07593	0.5
132.04443	1.0
133.06470	1.0
134.05977	2.0
134.55928	0.5
136.07559	5.6
136.60931	0.5
138.08098	0.8
138.09143	13.8
139.09435	0.5
148.07582	2.9
150.09142	3.1
152.07031	2.1
160.03966	5.1
161.05949	1.8
164.07047	2.8
166.08636	21.3
167.06969	0.7
168.10237	0.5
172.03845	0.9
174.80655	0.5
178.04984	1.9
190.04971	0.6
197.10735	0.8
199.08647	1.7
204.06618	0.8
211.08627	1.6
211.12286	1.6
212.09360	0.8
212.13031	0.5
213.10265	1.5
222.11214	0.7
223.08647	2.4
223.12259	0.9
224.09378	0.9
224.13116	1.0
225.10255	8.8
225.13791	0.9
226.10922	4.4
227.11720	2.8
232.23845	0.5
235.08606	1.4
235.12267	1.2
236.09352	0.9
236.12996	0.8
237.10233	3.6
237.13777	2.2
238.10887	2.9
239.08206	4.2
239.11775	9.0
240.12508	3.2
241.09741	0.7
247.12309	0.8
248.09227	1.2
249.10175	4.8
250.10916	6.1
251.08125	3.5
251.11786	12.1
252.08969	1.0
252.12540	3.1
253.09709	3.9
253.13379	7.2
254.10495	9.1
255.11028	1.0
255.14920	1.4
257.12726	0.6
262.11011	0.5
263.11798	10.2
264.09427	0.8
264.12506	4.9
265.09781	4.1
265.13345	15.5
266.10510	2.2
266.13708	2.3
267.11243	5.2
267.14917	2.0
268.12067	1.0
269.12827	0.9
271.10846	1.3
275.11862	0.5
276.95233	0.5
277.09750	2.1
277.13211	0.8
278.10541	1.5
279.11322	6.0
280.11893	1.2
281.12793	10.1
282.13498	2.1
283.11145	4.2
283.14389	3.9
284.11533	1.4
285.12332	9.1
286.12943	2.2
287.05551	1.0
291.11166	3.0
293.09464	1.1
293.12756	6.6
294.10425	1.0
294.13614	1.6
295.10715	2.1
295.14261	1.8
296.11551	3.3
297.12296	6.3
298.13083	1.1
299.13889	10.8
300.14035	0.8
307.10724	1.1
308.11365	1.1
309.12326	51.6
310.12842	5.2
311.13882	20.7
312.14285	1.3
313.11826	1.2
313.15323	0.7
319.10767	1.9
320.11533	0.7
321.12363	4.4
322.13010	0.8
324.10971	1.0
325.11880	2.1
326.12674	1.4
327.13385	70.2
328.13614	5.5
330.15747	0.7
336.14554	0.8
337.11789	11.7
337.15179	0.5
338.12476	5.1
339.13388	9.5
340.13785	0.8
341.15009	4.1
344.13834	0.8
353.15045	0.8
357.14371	2.9
358.15155	2.0
359.16022	7.8
369.14441	31.3
370.15085	3.9
371.16003	31.8
372.16483	3.5
387.16095	0.6
388.20090	0.8
393.14639	0.6
402.18051	0.7
404.19916	2.5
414.17877	1.1
416.19888	3.0
430.17685	1.8
432.19217	7.8
433.19598	0.8
442.17484	1.0
447.21222	0.6
448.18591	15.8
449.19135	2.0
453.17209	3.2
460.18625	27.0
461.18994	1.8
462.20068	0.7
474.20145	2.1
480.21298	44.9
481.21594	5.0
490.19986	0.8
492.21292	100.0
493.21628	9.4
506.23187	1.1
522.22278	1.4
523.22974	1.4
524.23840	2.8
554.54645	0.6
569.28461	0.6
595.25488	4.0
596.25940	0.8
613.26544	35.5
614.27026	5.5
624.25568	0.6
627.27960	4.3
628.28290	0.8
636.25598	1.2
645.29163	18.9
646.29779	2.6
654.26648	1.2
686.27795	0.6
757.30511	0.8
969.35260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.7901
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	12.5
69.06724	1.6
69.07072	17.6
79.05503	6.7
81.07059	28.6
83.08617	7.1
91.05489	9.1
93.07047	25.5
94.59064	0.9
95.08612	65.0
96.08950	0.9
97.10187	4.9
98.23338	3.6
105.07026	21.7
107.08598	44.0
108.08901	1.0
109.10159	46.5
111.11717	5.4
117.07030	2.1
119.08588	35.9
121.10149	43.2
123.11716	21.3
131.08578	4.4
133.10139	27.0
135.11690	27.9
137.13271	6.9
145.10112	9.0
146.10846	1.2
147.11687	28.1
148.11945	0.9
149.13254	18.8
149.14320	1.4
151.14848	2.3
159.11697	13.3
160.12349	1.2
161.13272	21.4
163.14833	9.8
171.11848	0.9
173.13287	7.0
174.14203	1.3
175.14851	12.0
177.16389	12.4
178.16743	1.3
179.17972	1.3
187.14821	9.6
189.16400	54.1
190.16748	2.0
191.17955	100.0
192.18364	5.2
199.14958	1.3
201.16412	11.0
203.17973	38.4
204.18350	1.8
205.19534	5.2
213.16409	1.1
215.17967	18.1
217.19533	52.4
218.19872	3.4
219.17412	0.9
219.21049	5.9
221.19077	4.8
227.18021	1.2
229.19469	5.0
231.21126	4.9
243.21176	5.7
245.22656	9.9
249.18503	4.4
257.22726	2.6
269.22699	1.9
271.24362	2.4
275.20114	1.1
283.24225	1.2
285.25867	1.6
297.25769	1.7
335.25839	1.3
337.28848	1.7
371.29398	1.2
407.36734	67.4
408.37326	6.0
425.37814	1.7
467.38873	29.7
468.39249	2.8
485.39908	9.0
693.91003	1.1
875.62573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	33.4
69.75298	2.2
69.75690	2.8
71.01358	5.3
71.05017	1.7
73.02916	19.1
79.05510	2.0
81.03423	5.3
81.07059	1.9
83.04982	55.0
84.02662	1.2
85.02907	100.0
87.04485	1.6
95.04965	6.4
95.08608	2.4
97.02895	76.9
98.23302	1.3
99.04475	10.6
101.06013	1.9
105.07073	1.4
105.71642	1.3
107.04892	1.2
109.02906	3.5
109.06542	2.8
111.04447	57.6
113.02419	1.6
113.06023	3.0
115.03935	20.0
117.05504	3.6
123.04461	1.9
127.03918	7.7
129.05479	17.3
133.04939	1.3
137.05983	1.9
139.03929	4.2
142.13895	1.3
143.03365	3.6
145.05029	1.3
147.06487	2.7
151.03909	1.9
153.05463	3.0
157.04971	5.6
165.09059	1.5
169.05020	1.4
171.06526	97.7
172.06880	2.3
175.06038	9.9
179.06943	1.7
181.05049	1.4
183.06610	1.3
189.07585	59.2
195.06580	1.8
199.05995	3.0
201.07550	2.6
203.14336	2.9
207.06543	3.3
211.06018	4.5
218.18062	1.3
225.07559	19.1
229.07153	2.0
243.08649	14.9
261.09705	20.2
261.12210	1.4
285.09656	3.7
303.10867	6.9
321.11838	8.4
339.10703	2.0
357.11700	2.3
375.13068	1.6
393.14005	6.3
501.31937	3.0
775.04657	1.2
859.97144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	15.9
69.14630	1.1
69.15047	2.7
70.30727	0.4
71.01359	2.6
71.04993	18.6
73.02502	0.9
73.02918	19.1
75.04472	1.5
79.05492	1.6
79.77319	0.4
81.03419	1.7
81.07054	0.9
83.04983	65.9
84.05306	0.8
85.02906	21.4
85.06535	0.5
87.04468	3.4
88.27843	0.5
91.05485	1.3
93.07016	0.6
95.04969	3.4
95.08616	4.6
97.02895	67.5
97.06547	0.7
98.03238	0.6
99.04478	3.4
101.06038	1.6
103.03982	0.5
105.07026	1.0
107.04967	1.4
107.08591	0.9
109.02905	1.4
109.06533	0.9
109.10196	0.4
111.04446	72.2
112.04749	0.9
113.02345	1.1
113.06008	8.4
115.03931	15.1
117.05489	4.5
119.04934	0.7
119.08586	1.0
121.06502	0.9
121.10106	0.8
123.04404	1.1
124.46703	0.4
125.06014	0.9
127.03919	2.3
129.05482	36.0
130.05840	0.6
131.08630	0.5
133.04930	2.6
133.06493	0.8
133.10107	0.7
134.90652	0.4
135.04411	0.5
137.06000	2.4
143.03406	2.2
145.10141	0.6
147.08055	0.5
149.05994	1.0
149.09564	0.5
150.07642	1.3
151.07552	0.9
153.05495	3.0
157.04974	0.6
161.04497	1.5
161.05916	0.7
163.03932	0.9
165.05511	2.8
171.06525	15.5
175.14911	0.5
179.07056	1.7
181.05037	1.4
183.06523	1.5
187.06010	1.1
189.07584	100.0
190.07927	2.0
191.14314	0.7
193.04955	1.2
195.06543	1.2
197.08145	0.9
199.05978	0.9
201.90843	0.5
202.53703	0.5
203.14287	4.3
203.15814	0.5
205.15805	0.5
207.06462	1.8
211.05980	2.9
217.15938	1.0
221.15404	0.6
225.07578	21.2
229.07072	2.0
231.08578	2.6
243.08679	10.9
278.12238	0.5
285.09628	2.6
292.46201	0.5
303.10822	3.8
321.11951	5.1
339.10709	0.6
357.11951	1.0
375.13257	0.8
409.31262	0.7
421.30847	1.0
437.30273	0.8
439.31934	1.2
455.31766	2.4
457.32932	1.2
483.30960	0.5
501.31946	5.6
502.32602	0.5
599.47156	0.5
970.48810	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	4.2
69.07072	27.3
71.04984	6.3
73.02917	3.1
79.05494	61.8
81.03433	3.2
81.07058	91.6
83.04993	5.4
83.08627	15.4
85.02910	14.6
85.06523	4.6
91.03953	9.5
91.05481	53.7
93.07047	68.8
95.04974	6.6
95.08606	69.0
97.02885	12.7
97.06534	10.1
97.10195	5.3
98.23410	7.5
99.51460	2.5
105.07032	38.7
107.08598	35.2
109.06504	8.6
109.10158	39.0
111.08086	3.3
117.07005	10.5
119.08592	33.9
121.06568	3.5
121.10131	36.4
123.08043	4.0
123.11731	8.6
125.09614	3.2
127.03910	4.3
128.31326	3.2
129.06982	5.0
131.08582	25.7
133.10126	25.6
135.11711	22.2
137.13179	2.7
143.08595	4.9
145.04968	3.7
145.10092	15.0
147.11710	23.5
149.13260	7.8
157.10094	8.2
159.11725	17.8
161.13232	14.4
163.11255	3.8
163.14838	3.8
165.12819	4.2
171.11703	5.9
173.11897	3.1
173.13293	12.9
175.14894	7.0
185.13309	4.2
189.16411	3.4
201.41592	3.2
205.19232	3.2
214.23204	2.6
219.17366	16.6
227.12793	4.8
229.14432	7.0
241.19574	9.6
243.21170	3.3
259.20590	18.3
261.22119	12.2
275.20135	6.7
277.21704	21.9
317.24817	4.3
333.24048	16.2
335.21771	6.4
335.25815	100.0
337.27335	26.6
351.25333	42.2
368.56339	2.7
430.56598	3.3
557.80048	3.5
593.45239	3.5
611.46674	79.7
612.47076	6.8
645.80219	4.5
970.58136	21.6
971.59235	8.9
1002.18939	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	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05990	23.0
69.06414	17.0
69.07081	22.9
71.04996	4.4
73.02927	7.0
79.05498	86.3
81.07061	78.0
83.08639	14.2
85.02935	18.5
91.03964	13.6
91.05485	87.2
93.07050	100.0
95.04961	11.5
95.08620	60.7
97.02910	7.1
97.10143	4.6
105.07037	65.0
107.08611	50.3
109.10179	19.8
117.07043	25.2
119.08579	59.2
121.10161	49.9
123.11726	7.3
123.41269	4.1
127.03931	6.1
129.07030	19.6
130.92909	4.4
131.08577	41.6
133.10123	43.9
135.11682	32.6
141.07133	5.9
143.08601	13.8
145.10112	41.2
147.11690	37.4
149.13269	16.7
157.10152	14.7
159.11722	30.2
161.13292	25.1
163.06076	9.0
163.14836	5.9
169.10161	5.2
171.11713	18.3
173.13316	18.1
175.14876	12.3
185.13316	12.8
187.14832	5.9
199.14888	7.0
231.21040	7.1
241.19543	25.9
243.21213	6.9
257.18918	8.1
259.20648	75.9
261.22144	16.9
315.23080	6.3
327.77643	5.0
333.24280	59.0
335.25800	85.2
336.25983	7.3
337.27664	5.7
379.71426	5.4
519.41931	8.4
593.45782	16.7
611.46649	71.3
612.46570	6.3
737.49017	5.9
772.89850	6.4
970.57446	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	970.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	10.7
71.04974	7.6
71.32789	8.9
73.02901	5.9
79.05498	49.8
81.07059	66.2
83.08614	10.9
85.02926	15.0
91.03957	9.6
91.05478	50.5
91.74724	6.8
93.07048	70.2
95.04964	12.0
95.08609	54.0
97.02899	10.5
105.07020	33.4
107.08595	34.6
109.10162	11.0
113.52677	6.1
117.07012	18.1
119.08598	13.7
121.10153	28.3
123.11737	10.1
131.08565	21.8
132.03696	6.3
133.10123	26.9
135.11685	18.3
145.10150	17.8
147.11707	26.2
149.13268	16.6
158.86539	6.3
159.11719	14.0
161.13246	14.7
163.05992	7.0
175.14832	8.9
178.18221	7.0
208.80396	6.1
241.19554	6.6
259.20587	22.9
261.22046	10.4
277.21613	15.5
317.69424	7.0
333.24228	18.9
335.25830	100.0
351.25323	44.1
418.83365	7.1
457.39035	6.6
529.38568	7.5
537.42572	7.2
587.65112	7.4
611.46729	60.1
612.46545	9.1
630.26843	7.0
970.58258	95.0
971.56995	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	973.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03083	0.8
69.03428	11.6
69.07057	2.5
71.01345	1.9
71.04596	1.3
71.04993	24.3
71.30614	1.2
72.05310	0.8
73.02917	20.9
75.04452	1.8
79.05490	3.8
81.03408	1.6
81.07064	6.4
83.04983	51.2
83.08623	1.3
84.05332	0.8
85.02903	26.9
86.03202	0.6
86.06032	0.9
87.04461	4.2
91.05477	5.9
93.07041	6.0
95.04968	6.0
95.08041	1.1
95.08609	14.4
95.09225	0.8
97.02891	42.6
97.06498	1.3
99.04456	2.1
101.06001	1.9
105.07030	8.2
107.04938	0.7
107.08589	8.1
109.06499	2.2
109.10147	4.5
111.04442	54.2
112.04745	0.9
113.02368	0.9
113.06009	9.6
115.03926	11.3
116.10757	2.8
117.05496	5.3
117.07026	2.3
119.07774	1.1
119.08584	17.8
121.06470	3.0
121.10141	6.1
123.08083	2.9
123.11674	1.7
125.05968	1.5
127.03937	2.9
128.06198	0.7
129.05481	44.0
129.07013	1.8
130.05835	0.7
131.08566	8.4
133.04930	1.8
133.06464	0.7
133.10127	7.1
135.08081	1.5
135.11717	3.4
135.82845	0.6
137.05997	0.9
137.09668	1.4
141.07053	0.7
143.03383	0.8
143.08556	4.5
144.09259	0.7
145.06497	0.9
145.10121	11.9
146.10461	0.7
147.08044	2.0
147.11691	4.5
149.09599	1.7
149.13271	1.7
151.07529	0.7
151.11269	0.5
153.05473	1.9
155.08542	0.9
156.09293	0.9
157.04991	0.7
157.10118	4.9
158.10805	0.9
159.07977	0.8
159.11685	7.0
161.05968	1.0
161.09653	2.0
161.13274	4.4
163.11221	1.2
163.14824	1.6
165.05496	1.9
165.09135	0.7
167.07104	1.3
169.10129	2.1
171.06522	27.5
171.11673	4.1
173.09555	0.9
173.13254	6.8
175.11189	1.2
175.14816	5.5
177.05403	0.7
177.12712	1.1
177.16415	1.1
179.07191	0.6
181.04942	0.7
181.10181	0.6
182.10715	0.6
183.11681	1.9
185.09532	0.6
185.13232	3.9
187.06078	0.7
187.14825	18.0
189.07582	100.0
189.12709	3.3
189.16345	3.6
190.07867	3.5
191.10629	0.9
191.14351	2.2
195.06593	0.7
195.11722	1.1
197.13260	2.1
199.14836	4.8
201.16393	7.2
203.14313	11.6
203.17923	1.3
204.14658	0.8
205.15845	3.5
207.06461	0.9
209.13289	0.7
211.06064	1.5
211.14850	2.0
213.16360	4.7
214.18102	1.1
215.14290	2.9
215.17947	1.2
217.15837	3.7
219.13799	0.9
219.17590	0.8
221.15260	0.9
225.07599	8.5
225.16438	0.9
227.17953	1.1
229.07091	0.8
229.15848	2.5
231.08466	0.6
231.17461	2.2
233.15431	1.4
239.18022	0.9
243.08672	6.1
245.15414	0.8
247.16942	1.4
257.18964	0.7
279.21088	0.8
285.09555	0.8
287.05582	2.8
303.10687	1.9
321.11719	2.5
326.23148	0.9
373.28973	1.0
391.29953	2.5
403.29803	2.9
405.31531	1.4
409.31143	0.9
419.29260	1.1
421.30963	4.8
423.32495	1.8
431.29535	1.5
437.30487	3.2
439.32047	2.8
449.30341	3.7
455.31540	34.0
456.31696	2.7
457.33459	1.4
467.31686	9.6
468.31470	0.9
485.32632	44.4
486.33029	5.6
496.33954	0.8
503.33682	26.0
504.34006	2.8
521.34619	8.8
522.34924	1.2
532.27893	0.8
574.24750	0.7
587.35846	1.6
595.35992	1.7
613.36798	0.7
617.36389	2.2
631.36536	0.5
635.38196	0.8
673.38824	1.9
691.40411	5.5
738.35022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	8.6
69.07064	1.0
70.06601	0.5
71.01347	1.2
71.04977	1.4
73.02918	11.9
79.05490	1.7
81.03441	0.8
81.07046	3.1
82.30479	0.4
83.04983	39.8
83.08596	0.8
85.02905	100.0
86.03239	1.0
87.04476	1.7
91.05482	2.4
92.65782	0.5
93.07051	3.1
95.04978	3.2
95.08601	7.4
97.02892	15.8
97.06499	0.7
99.04428	1.3
99.05032	0.5
101.05993	0.9
102.73206	0.6
103.03966	0.5
103.05465	0.5
105.07030	4.7
107.08590	3.9
109.10152	2.3
111.04444	30.0
111.08105	0.6
113.06014	1.8
115.03931	6.4
116.10741	0.7
117.07000	0.8
119.08575	7.2
121.06501	1.3
121.10118	2.4
123.04444	0.8
123.08086	0.8
123.11710	0.6
127.03918	7.5
129.05484	10.8
129.06972	1.0
131.08574	3.3
133.04984	1.7
133.10149	4.1
135.08015	1.0
135.11693	1.4
137.05931	0.6
137.09651	0.4
139.03896	1.1
143.08566	3.0
145.10132	5.2
147.08063	0.7
147.11711	2.8
149.09598	0.6
149.13239	1.0
153.05391	1.1
154.58588	0.5
155.08553	0.5
156.09261	0.5
157.04973	1.2
157.10129	2.2
159.11670	2.6
161.09587	0.8
161.13229	2.6
163.14809	1.3
165.05457	0.5
169.10124	1.2
171.06523	75.2
171.11700	1.4
172.06847	1.6
173.13289	3.1
175.05989	1.9
175.07408	0.5
175.14850	2.6
177.12822	0.8
183.11719	0.9
185.13200	1.3
187.14813	6.4
189.07584	55.7
189.12764	1.8
189.16302	0.9
190.07939	1.3
191.14359	1.0
199.14786	2.0
201.14723	0.6
201.16389	2.9
203.14282	7.1
205.15877	0.8
207.06548	0.8
209.13368	0.5
211.14919	0.9
213.16354	2.3
215.14310	1.3
215.17967	1.0
217.15833	1.7
225.07582	3.1
225.16338	0.6
227.17990	1.0
229.15935	1.2
230.12628	0.6
231.17416	1.3
239.18016	0.6
243.08571	1.9
247.16917	0.8
261.09656	1.2
285.09610	1.9
287.05603	0.6
303.10797	3.9
321.11719	2.9
391.29822	1.0
393.13858	0.5
403.29767	1.6
405.31516	1.0
409.31082	0.7
421.30838	1.9
423.32547	0.7
431.29160	0.7
433.13986	0.5
437.30264	2.2
449.30508	2.4
453.30109	0.6
455.31570	15.3
456.31738	1.7
467.31766	4.4
471.31317	0.7
485.32623	24.8
486.33185	2.7
503.26682	0.8
503.33704	15.4
503.41031	1.0
504.33722	1.6
515.29724	1.0
521.34821	4.7
522.34937	0.7
587.35461	1.4
599.35748	0.5
617.36157	1.4
618.36945	0.7
649.57043	0.6
673.39124	0.9
691.40051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	2.3
69.07091	0.5
69.19283	0.6
69.19695	2.0
71.01371	0.4
71.05001	0.3
73.02921	2.6
79.05508	1.8
81.03410	1.5
81.07047	2.7
85.02911	4.1
87.04513	0.4
91.03951	2.1
91.05479	1.6
93.07036	1.8
95.05000	0.3
95.08600	1.9
95.93283	0.3
97.02888	3.8
99.04450	0.6
99.49756	0.3
101.02419	1.2
105.07081	1.3
107.08633	1.0
109.02881	0.7
109.10191	0.7
117.07081	0.3
119.08632	1.1
121.10143	0.7
126.55220	0.3
127.03970	1.0
128.34285	0.3
131.08617	0.6
133.10150	0.7
135.11725	0.6
145.10129	0.5
149.13280	0.3
159.11765	0.3
180.62964	0.3
185.04259	0.6
203.05328	0.7
219.17433	1.5
243.08456	1.9
269.09445	0.4
315.19171	1.6
339.07162	0.3
347.09473	1.5
363.09140	0.4
365.10739	0.7
371.22208	0.7
388.01624	0.3
405.13699	4.8
499.05905	0.3
519.29297	3.0
533.27258	2.7
681.34589	8.1
682.34613	0.6
695.32391	3.3
811.50024	1.4
973.54913	100.0
974.55243	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	9.3
69.06984	3.1
70.34126	1.7
71.01298	1.3
71.04913	14.6
71.05339	1.2
73.02836	8.3
75.03096	0.6
75.04433	1.4
78.63817	0.7
79.05496	7.6
79.38532	0.6
81.03358	1.1
81.06972	12.4
83.04984	5.9
83.08547	1.1
85.02905	30.1
85.03360	1.6
85.06487	0.6
87.04403	1.1
91.05481	9.6
93.07045	15.2
95.01328	4.1
95.04976	7.6
95.08607	35.5
95.09151	1.9
97.02894	7.8
97.06508	3.4
99.04426	3.9
99.08026	1.0
103.03899	0.8
103.05426	0.9
105.07030	22.3
107.08592	17.8
108.08875	0.7
109.06539	3.8
109.10159	12.3
111.04443	6.0
111.08007	1.9
113.02341	0.9
115.03934	5.0
115.05383	0.9
117.07009	5.6
119.08582	41.0
120.08897	1.4
121.06414	3.0
121.10146	14.4
123.08063	5.6
123.11680	3.4
127.03869	1.2
128.06152	1.8
129.05479	6.3
129.06982	4.2
130.07755	0.8
131.08571	16.8
133.04933	1.0
133.06445	1.3
133.10130	18.8
135.08054	5.5
135.11664	6.1
137.05806	1.0
137.09605	3.6
137.13223	0.8
139.03786	2.0
141.00877	0.7
141.01804	8.3
141.06908	1.0
142.07634	2.1
143.07489	0.7
143.08546	10.5
144.09143	0.9
145.04904	1.1
145.10120	29.5
145.44322	0.7
147.06439	2.2
147.07936	5.5
147.11696	9.4
149.09645	3.6
149.13217	4.1
151.11084	1.2
154.07640	0.8
155.08543	3.9
156.09200	2.5
157.10139	12.7
159.02786	2.0
159.08011	1.3
159.11691	16.2
161.09581	4.9
161.13254	11.2
162.13509	1.0
163.07454	1.1
163.11168	1.5
163.14822	5.7
165.12637	0.8
167.06911	1.2
167.08388	0.7
169.10146	6.2
170.10820	2.3
171.06462	1.1
171.11711	9.4
173.09602	1.5
173.13268	14.1
175.11095	2.4
175.14835	10.7
177.12639	2.8
177.16380	3.6
179.14247	1.4
181.09987	1.6
182.10838	1.1
183.11653	4.5
184.12360	1.0
185.11807	0.8
185.13269	10.8
186.13664	1.2
187.14816	36.5
188.15070	2.4
189.12747	6.7
189.16393	7.8
191.14349	4.4
195.11531	2.1
196.12289	0.8
197.13245	6.5
198.13933	0.9
199.11089	1.0
199.13184	1.0
199.14847	12.1
201.12758	3.5
201.16393	15.5
202.16798	0.7
203.14314	33.9
203.17336	1.1
203.17879	1.6
204.14545	1.4
205.15903	9.6
206.16249	0.8
207.11780	1.0
208.12440	0.7
209.13234	1.6
211.14810	3.8
213.14488	1.2
213.16347	11.0
215.14337	6.2
215.17853	2.6
217.15887	8.3
217.19646	0.7
219.13675	0.9
219.17334	2.2
221.13309	1.1
221.15297	1.7
223.14795	1.8
225.07547	1.6
225.16333	3.1
227.14159	0.9
227.17918	4.2
229.15889	5.4
229.19374	1.1
231.13805	0.8
231.17429	5.3
233.15263	2.9
235.17059	1.3
237.16275	2.3
239.17934	3.3
241.15785	1.9
241.19449	2.5
243.08694	1.3
243.17389	1.7
245.15308	1.2
245.19006	1.1
247.16914	3.0
248.80815	0.7
251.17923	1.7
253.15746	0.9
253.19432	2.9
255.21037	1.1
257.18802	1.0
265.19687	1.1
267.20963	1.9
271.20508	1.0
277.19681	1.0
279.10712	1.4
279.20959	1.0
281.22375	0.7
283.20462	1.1
299.19919	1.3
305.08600	1.5
305.22305	0.9
309.25671	1.0
319.24170	0.9
323.27148	0.9
353.24643	1.8
371.25882	1.5
375.30368	0.8
385.28693	2.3
387.30579	0.9
391.30035	2.6
393.31808	1.6
403.29889	7.7
405.31512	4.0
409.31122	0.9
419.29224	1.4
421.31024	10.3
422.31268	1.2
423.32571	5.6
431.29422	2.7
437.30368	3.5
439.32083	5.0
441.33661	1.3
449.30469	11.5
450.30853	1.2
455.31555	98.0
456.31909	7.6
457.33548	0.9
467.31607	20.5
468.31787	2.3
469.33566	0.9
485.32635	100.0
486.32922	10.1
496.34332	1.3
503.33655	79.7
504.33966	9.3
521.34729	14.8
522.34918	1.7
587.35870	6.6
597.33954	0.9
601.37604	1.0
617.36682	7.0
618.36633	1.3
635.38141	3.4
643.34772	7.2
644.35211	1.4
661.36108	3.7
679.36694	7.5
680.37512	1.5
697.37952	3.1
763.42621	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	10.6
69.07073	3.0
69.08941	1.8
69.09369	2.0
69.73266	0.4
70.27483	0.4
71.01347	1.0
71.04991	26.2
72.05340	0.5
73.02916	6.4
75.04480	1.4
75.24038	0.4
79.05488	4.4
79.63969	0.4
81.03419	1.3
81.07057	6.1
83.04983	9.0
83.08630	1.4
85.02905	46.0
86.03247	0.9
87.04471	1.2
91.05477	6.5
93.07046	9.1
95.04974	2.4
95.08607	20.3
97.02890	13.2
97.03508	0.8
97.06538	1.6
97.10176	0.8
98.18632	0.4
99.04444	2.8
101.56378	0.4
103.05441	0.8
105.07029	13.9
107.04964	0.9
107.08594	11.3
109.02888	1.2
109.06529	2.2
109.10146	6.3
111.04444	12.1
111.08102	0.6
113.02422	0.6
115.03927	6.6
116.06270	0.5
117.05509	1.4
117.07024	2.7
117.99943	0.5
119.04951	0.5
119.06046	0.6
119.08578	24.2
120.08913	0.9
121.06499	2.7
121.10159	6.3
123.04432	0.5
123.08031	2.5
123.11714	1.8
125.06003	1.7
127.03933	2.6
128.06262	1.3
129.05489	10.2
129.06967	2.8
131.08566	12.7
133.05046	0.6
133.06537	1.5
133.10127	11.1
133.11050	0.8
135.08057	3.3
135.11699	4.1
137.06006	2.0
137.09624	3.1
137.13249	1.0
139.03931	1.9
139.07497	0.9
141.06979	1.0
142.07822	1.1
143.08569	7.0
144.09251	0.4
145.04961	1.3
145.06482	0.5
145.10124	21.9
146.10477	0.8
147.06561	3.4
147.08012	3.9
147.11659	6.6
149.06009	1.2
149.09636	1.8
149.13249	3.6
151.07585	1.3
151.11111	0.6
153.05507	0.7
155.07314	0.7
155.08560	2.8
156.09377	1.6
157.10123	10.3
158.10847	0.9
159.08092	2.0
159.11691	10.0
161.09630	3.7
161.13258	5.6
163.06079	0.8
163.07516	0.8
163.11230	0.9
163.14809	3.9
165.09137	0.6
167.08611	0.7
168.09465	0.5
169.10120	4.0
170.10953	1.6
171.06558	1.4
171.07962	0.7
171.11697	6.0
172.12448	0.6
173.09618	1.7
173.13249	8.9
175.11215	1.9
175.14818	7.1
177.09140	0.7
177.12788	1.7
177.16394	2.3
179.07080	0.6
179.08536	0.5
179.14276	0.5
181.10168	1.2
182.10950	0.7
183.11708	5.0
184.12354	0.5
185.09608	1.0
185.13252	8.6
187.11258	2.0
187.14816	45.3
188.15227	2.1
189.07576	1.0
189.09146	1.4
189.12738	4.8
189.16374	6.9
191.10725	0.9
191.14308	3.5
193.10275	0.4
193.12225	0.7
193.15927	0.5
195.11714	1.4
197.08112	0.7
197.09700	0.5
197.13277	3.4
199.11237	1.6
199.14828	9.9
201.12701	2.7
201.16379	10.5
201.18195	0.9
202.16815	1.0
203.14313	28.4
204.14682	1.3
205.12303	1.4
205.15891	7.5
207.11818	0.8
207.13858	1.3
209.13222	1.7
211.11218	0.8
211.14897	2.0
213.12820	2.3
213.16357	7.6
215.14299	3.4
215.17952	2.3
217.12321	1.0
217.15877	5.0
219.13840	1.7
219.17487	0.9
221.13428	0.7
223.14925	1.4
225.07605	2.3
225.12758	0.9
225.16393	2.4
227.14351	1.3
227.17944	2.7
229.12274	0.9
229.15770	2.5
231.13841	2.2
231.17465	1.7
233.13422	0.6
233.15321	2.4
237.16422	1.5
239.17944	2.4
241.19524	2.2
243.08661	1.8
243.13844	1.7
243.17479	1.0
245.13228	0.5
245.15292	2.2
247.16982	1.5
249.14754	0.9
251.18004	1.4
253.19524	1.6
255.14133	0.5
255.21136	0.5
257.19019	0.6
259.16995	1.0
261.09769	0.8
265.19507	0.8
267.21118	1.3
269.22629	0.6
271.16809	0.5
277.19467	0.4
279.10815	1.4
279.21106	1.2
283.20993	0.6
287.05432	1.0
307.24231	1.9
309.25766	5.3
313.28882	0.4
325.25308	1.5
353.24716	2.1
371.25787	3.6
377.28458	0.5
379.26157	0.8
381.27747	0.6
387.26877	0.6
389.28445	3.2
391.30060	2.7
397.27365	0.6
399.28275	0.7
401.28342	0.6
405.27805	3.0
407.29541	6.9
409.31085	1.6
417.27896	4.6
419.29428	2.3
423.28839	2.2
425.26373	1.4
425.31207	0.8
433.27438	0.7
435.28955	10.4
436.29294	0.8
437.30740	3.6
445.27380	1.3
451.28433	4.0
453.30020	10.8
454.30292	0.9
455.31561	23.6
456.31897	1.7
463.28345	3.0
469.29459	30.8
470.29813	3.1
471.30685	2.1
481.29559	8.1
482.29501	1.0
487.30408	3.7
496.34622	0.6
499.30569	21.4
500.30777	2.1
517.31592	100.0
518.32043	8.7
535.32648	1.9
587.35712	1.9
601.33807	2.0
609.34070	1.2
615.34454	0.6
619.34332	0.5
627.35077	2.0
631.34564	3.3
649.35693	7.8
663.36841	1.3
872.85559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	2.4
69.07067	0.5
69.44503	3.0
71.01364	0.6
73.02929	2.6
79.05512	1.8
81.03416	1.3
81.07075	1.7
85.02911	2.9
86.98804	0.5
91.03942	2.4
91.05507	1.2
93.07072	1.4
95.08627	1.8
97.02896	4.0
97.06519	0.4
99.04471	0.8
101.02362	1.1
105.07059	1.0
107.08601	0.8
108.59664	0.5
109.10210	0.7
117.07049	0.8
119.08614	0.9
121.10173	0.7
127.03934	1.0
133.10216	0.4
135.11736	0.7
140.76517	0.5
149.13309	0.5
195.63077	0.4
203.05379	0.9
243.08514	1.7
257.73816	0.6
347.09457	2.2
363.08987	0.7
365.10953	0.8
391.23087	0.5
405.13596	5.3
505.45596	0.5
519.29352	3.5
533.32562	0.5
535.28961	1.6
681.34491	7.0
682.34601	0.8
697.34161	3.3
813.51276	1.2
975.56482	100.0
976.56909	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	977.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	12.5
69.07073	5.2
71.04988	2.6
73.02915	11.2
76.01694	1.0
79.05497	6.9
81.03433	3.7
81.07058	14.6
83.04992	3.6
83.08639	3.0
85.02904	28.3
87.04475	3.7
91.05494	10.7
91.06018	1.6
93.07046	17.3
95.04974	8.8
95.08608	34.2
97.02898	17.3
97.06535	3.6
97.10165	1.9
99.04440	2.5
103.05453	1.1
105.07031	22.9
107.08595	18.8
108.08910	1.1
109.02885	2.5
109.06496	2.8
109.10150	11.8
111.04443	1.4
111.08073	1.3
115.03934	8.9
117.07029	4.8
117.25426	1.0
117.31535	1.1
119.08586	40.8
121.06545	5.1
121.10143	14.6
123.08063	4.6
123.11703	2.8
127.03922	6.6
128.06258	1.3
129.07022	4.2
131.08571	16.1
133.04988	10.7
133.06525	1.3
133.10139	18.2
135.08078	4.8
135.11690	6.8
137.09647	2.7
142.07813	1.5
143.08545	11.4
144.09377	1.9
145.04955	10.1
145.10132	29.1
147.08047	6.8
147.11687	9.4
149.09651	3.0
149.13228	6.1
155.08557	3.3
156.09384	2.6
157.10127	11.0
159.08078	2.0
159.11707	17.6
161.09668	5.0
161.13274	10.4
163.06081	6.1
163.07324	1.6
163.11174	1.4
163.14792	4.9
164.06386	1.1
169.10110	5.8
170.10913	1.9
171.11671	10.2
173.09714	1.4
173.13260	11.8
175.11197	3.1
175.14830	8.7
177.12762	1.7
177.16393	3.3
179.14397	1.2
182.11063	1.4
183.11688	5.9
184.12451	1.4
185.13283	8.7
187.11218	2.2
187.14822	37.9
188.15143	2.2
189.12741	4.6
189.16371	7.8
191.14337	3.8
194.37067	1.0
195.11650	1.6
197.13310	4.0
199.14798	9.3
201.16371	13.3
203.14314	29.2
203.17952	2.3
205.15880	8.5
209.13370	2.1
211.14842	5.5
213.16354	9.9
215.14331	4.6
215.17961	2.9
217.15929	7.6
219.17467	2.2
221.15367	1.3
223.14771	2.7
225.16409	3.7
227.17973	4.1
229.15919	4.6
231.13837	1.1
231.17499	4.8
233.15338	2.7
237.16444	1.7
239.18008	2.0
241.16101	1.6
241.19435	2.5
245.19057	1.7
247.17018	2.4
253.19431	2.1
259.08160	2.5
265.19632	2.0
267.20966	1.9
281.22894	1.1
295.10257	3.8
297.22263	1.4
307.24207	1.2
325.11523	1.8
369.27625	1.2
371.25836	1.5
385.28961	1.6
391.29855	1.7
393.31546	1.8
403.30127	7.1
405.31564	2.8
409.30710	1.8
411.60696	1.1
421.30887	9.3
423.32404	3.0
431.29514	2.4
437.30267	2.5
438.34476	1.3
439.31961	3.3
441.33722	1.3
449.30624	8.2
455.31540	74.2
456.31912	4.5
467.31506	14.5
485.32639	100.0
486.32837	8.5
496.34222	1.4
503.33664	70.0
504.33722	4.8
521.34772	16.1
522.35059	1.9
587.35693	14.4
588.36047	2.1
617.36981	9.8
618.37042	1.6
635.37671	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	977.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97521	0.8
69.03431	13.1
69.07068	5.0
71.01350	0.9
71.04997	1.7
73.02913	12.1
74.15785	0.8
75.21745	0.7
79.05486	7.9
81.03430	3.8
81.07058	15.5
83.04967	1.7
83.08626	1.7
85.02901	26.8
87.04476	1.7
91.05482	10.8
93.07049	15.3
95.04958	8.5
95.08609	34.8
97.02892	16.7
97.06541	2.5
97.10171	1.3
99.04453	2.6
99.93491	0.8
103.05448	1.3
105.07034	21.2
107.04933	1.0
107.08593	19.8
109.02884	3.1
109.06526	2.9
109.10154	13.4
111.04384	1.1
111.08105	2.1
115.03909	7.4
115.05474	1.5
117.07011	4.3
117.50799	0.9
119.08580	40.2
120.08894	0.9
121.06530	2.4
121.10133	14.6
123.08103	4.6
123.11726	2.8
124.13184	0.8
125.02341	0.7
125.09653	1.0
127.03913	5.4
128.06242	1.1
129.07045	3.8
130.07756	0.8
131.08565	17.1
133.04980	4.8
133.06558	2.0
133.10126	17.0
135.08075	4.7
135.11679	7.6
137.09624	3.7
137.13234	1.0
141.09087	0.8
142.07806	2.5
143.08554	10.9
144.09276	1.2
145.04939	9.8
145.10124	26.5
147.08055	5.8
147.11684	10.5
149.09602	3.7
149.13304	3.9
151.11227	0.9
155.08537	4.2
156.09346	1.3
157.10129	10.7
158.11099	0.7
159.08102	1.8
159.11688	17.0
161.05989	1.3
161.09590	4.6
161.13242	9.6
162.06361	0.7
163.06036	4.1
163.07448	1.6
163.11198	1.5
163.14801	5.7
169.10124	3.5
170.10909	1.3
171.11696	8.5
172.12321	0.9
173.09627	1.8
173.13248	13.0
175.11197	1.9
175.14801	8.6
177.12772	1.4
177.16382	3.1
179.14308	1.1
181.10077	1.4
183.11630	3.9
184.12482	1.5
185.13274	7.9
187.11145	1.8
187.14815	38.7
188.15173	1.5
189.12747	6.1
189.16362	8.4
191.14336	4.7
195.11661	1.4
197.13234	5.8
199.14836	11.0
201.12730	1.7
201.16400	14.4
203.14323	33.1
203.17989	2.8
204.14671	0.9
205.15826	8.6
209.13229	1.9
211.14813	6.1
213.12730	1.3
213.16379	11.0
215.14296	7.1
215.17947	3.4
217.15862	9.3
219.17397	1.8
221.13304	1.5
221.15414	2.3
223.06134	0.9
223.14893	1.2
225.16458	3.4
227.14340	1.9
227.17964	2.6
228.93394	1.0
229.15924	5.5
229.19586	1.7
231.13834	1.1
231.17447	3.8
233.15353	3.7
237.16452	1.9
239.14336	1.0
239.17986	3.2
241.19481	1.8
243.17548	1.2
245.15459	1.0
245.19016	1.2
247.16989	2.5
251.18156	1.5
253.19579	1.5
255.17401	1.4
257.18979	1.8
259.08163	1.7
259.16882	1.4
265.19507	1.3
267.21216	1.3
281.22562	1.3
295.10211	1.8
299.20016	1.3
299.23557	0.8
319.24472	1.2
323.27164	0.9
347.27478	1.1
371.25778	1.3
375.30112	1.2
385.28983	2.1
387.30527	1.0
391.30115	2.2
393.31815	1.1
403.30051	5.8
405.31635	3.6
409.31180	1.4
419.29428	0.9
421.30963	9.7
423.32736	4.9
431.29352	3.1
437.30466	4.2
439.32095	5.6
449.30624	10.7
455.31531	68.6
456.31665	4.6
467.31491	19.0
468.31525	1.1
485.32608	100.0
486.33014	6.8
496.33917	1.3
503.33664	74.4
504.33945	3.5
521.34698	19.0
522.35162	1.8
587.35828	20.8
588.36133	1.5
599.35919	0.9
617.27258	1.6
617.36829	22.1
635.37891	11.9
683.40479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97521	0.8
69.03431	13.1
69.07068	5.0
71.01350	0.9
71.04997	1.7
73.02913	12.1
74.15785	0.8
75.21745	0.7
79.05486	7.9
81.03430	3.8
81.07058	15.5
83.04967	1.7
83.08626	1.7
85.02901	26.8
87.04476	1.7
91.05482	10.8
93.07049	15.3
95.04958	8.5
95.08609	34.8
97.02892	16.7
97.06541	2.5
97.10171	1.3
99.04453	2.6
99.93491	0.8
103.05448	1.3
105.07034	21.2
107.04933	1.0
107.08593	19.8
109.02884	3.1
109.06526	2.9
109.10154	13.4
111.04384	1.1
111.08105	2.1
115.03909	7.4
115.05474	1.5
117.07011	4.3
117.50799	0.9
119.08580	40.2
120.08894	0.9
121.06530	2.4
121.10133	14.6
123.08103	4.6
123.11726	2.8
124.13184	0.8
125.02341	0.7
125.09653	1.0
127.03913	5.4
128.06242	1.1
129.07045	3.8
130.07756	0.8
131.08565	17.1
133.04980	4.8
133.06558	2.0
133.10126	17.0
135.08075	4.7
135.11679	7.6
137.09624	3.7
137.13234	1.0
141.09087	0.8
142.07806	2.5
143.08554	10.9
144.09276	1.2
145.04939	9.8
145.10124	26.5
147.08055	5.8
147.11684	10.5
149.09602	3.7
149.13304	3.9
151.11227	0.9
155.08537	4.2
156.09346	1.3
157.10129	10.7
158.11099	0.7
159.08102	1.8
159.11688	17.0
161.05989	1.3
161.09590	4.6
161.13242	9.6
162.06361	0.7
163.06036	4.1
163.07448	1.6
163.11198	1.5
163.14801	5.7
169.10124	3.5
170.10909	1.3
171.11696	8.5
172.12321	0.9
173.09627	1.8
173.13248	13.0
175.11197	1.9
175.14801	8.6
177.12772	1.4
177.16382	3.1
179.14308	1.1
181.10077	1.4
183.11630	3.9
184.12482	1.5
185.13274	7.9
187.11145	1.8
187.14815	38.7
188.15173	1.5
189.12747	6.1
189.16362	8.4
191.14336	4.7
195.11661	1.4
197.13234	5.8
199.14836	11.0
201.12730	1.7
201.16400	14.4
203.14323	33.1
203.17989	2.8
204.14671	0.9
205.15826	8.6
209.13229	1.9
211.14813	6.1
213.12730	1.3
213.16379	11.0
215.14296	7.1
215.17947	3.4
217.15862	9.3
219.17397	1.8
221.13304	1.5
221.15414	2.3
223.06134	0.9
223.14893	1.2
225.16458	3.4
227.14340	1.9
227.17964	2.6
228.93394	1.0
229.15924	5.5
229.19586	1.7
231.13834	1.1
231.17447	3.8
233.15353	3.7
237.16452	1.9
239.14336	1.0
239.17986	3.2
241.19481	1.8
243.17548	1.2
245.15459	1.0
245.19016	1.2
247.16989	2.5
251.18156	1.5
253.19579	1.5
255.17401	1.4
257.18979	1.8
259.08163	1.7
259.16882	1.4
265.19507	1.3
267.21216	1.3
281.22562	1.3
295.10211	1.8
299.20016	1.3
299.23557	0.8
319.24472	1.2
323.27164	0.9
347.27478	1.1
371.25778	1.3
375.30112	1.2
385.28983	2.1
387.30527	1.0
391.30115	2.2
393.31815	1.1
403.30051	5.8
405.31635	3.6
409.31180	1.4
419.29428	0.9
421.30963	9.7
423.32736	4.9
431.29352	3.1
437.30466	4.2
439.32095	5.6
449.30624	10.7
455.31531	68.6
456.31665	4.6
467.31491	19.0
468.31525	1.1
485.32608	100.0
486.33014	6.8
496.33917	1.3
503.33664	74.4
504.33945	3.5
521.34698	19.0
522.35162	1.8
587.35828	20.8
588.36133	1.5
599.35919	0.9
617.27258	1.6
617.36829	22.1
635.37891	11.9
683.40479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82660	1.2
70.82973	1.4
77.93088	0.8
94.57654	0.9
339.03210	0.9
482.97546	0.9
733.11523	1.2
977.55939	100.0
978.56506	13.3
1003.71533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5807
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	2.0
71.01372	0.9
73.02947	2.3
79.05505	1.1
81.03444	0.9
81.07070	2.5
85.02915	4.9
91.03981	2.0
91.05498	1.3
93.07069	1.8
95.08629	2.1
97.02881	4.8
101.02405	1.0
108.03984	0.6
109.10180	0.7
121.10144	0.8
127.03958	1.8
129.87735	0.7
135.91675	0.6
196.31310	0.7
203.05438	0.8
216.86032	0.7
243.08527	1.5
252.21135	0.7
284.88284	0.7
347.09668	2.0
405.13733	4.4
521.30933	2.2
535.29138	2.0
666.81696	0.8
681.34595	1.2
683.35767	6.1
697.34149	2.3
699.35291	1.6
815.52588	1.2
977.57953	100.0
978.58221	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	15.4
69.07059	5.3
69.09451	6.9
69.09852	3.1
71.01352	3.5
71.04996	50.3
73.02926	12.8
75.04482	6.3
78.64938	1.2
79.05506	6.2
79.96951	1.1
80.58353	1.4
81.03403	3.7
81.07067	14.3
83.04984	14.4
85.02908	97.4
87.04481	2.8
91.05489	8.9
93.07052	14.7
95.04969	8.4
95.08611	30.7
97.02898	27.1
97.06534	4.7
97.10185	2.1
99.04463	4.0
103.05443	1.8
105.07031	21.2
107.04949	2.1
107.08591	20.1
109.02874	1.8
109.06516	3.4
109.10148	13.3
111.04450	13.8
115.03956	10.8
115.55061	1.4
117.05453	1.1
117.07018	3.7
119.08588	37.0
121.06515	4.8
121.10147	14.4
123.08060	3.9
123.11681	2.9
125.09627	1.2
127.03916	4.7
128.06192	1.7
129.05489	32.0
129.07018	3.3
131.08577	17.3
133.04977	1.3
133.06520	1.6
133.10146	20.3
133.11084	2.3
134.52480	1.6
135.08069	4.1
135.11702	5.0
137.05966	1.4
137.09599	2.4
137.13283	1.8
142.07828	2.0
143.08562	11.4
144.09439	1.2
145.04955	4.2
145.10136	28.7
147.06531	20.3
147.08044	5.5
147.11682	8.9
149.09587	2.1
149.13269	6.0
151.11134	2.1
155.08557	4.7
156.09363	2.5
157.04994	2.0
157.10135	12.2
159.08069	2.9
159.11697	19.3
161.05977	2.7
161.09641	6.4
161.13269	10.3
163.06003	2.5
163.07567	1.3
163.11172	3.3
163.14815	4.3
165.07558	2.3
166.03072	1.2
167.07144	1.7
169.05003	1.9
169.10144	5.5
171.06635	1.7
171.11720	7.0
173.09593	2.5
173.13272	14.2
175.11160	2.4
175.14839	12.6
177.12703	2.7
177.16382	4.2
181.10043	1.4
182.10938	1.6
183.11723	4.6
185.13235	8.1
187.11261	1.9
187.14827	41.4
188.15231	2.1
189.12787	9.4
189.16380	8.5
191.14331	5.3
195.11673	2.8
197.13170	5.7
199.14803	13.2
201.12851	3.1
201.16403	16.6
203.14317	29.9
203.16089	2.3
203.17961	3.4
205.15944	7.2
207.11795	1.4
207.13791	1.8
209.13254	1.4
211.14798	3.5
213.12772	1.3
213.16376	11.5
215.14328	7.3
215.17972	4.2
217.15913	8.6
219.13792	1.4
219.17503	3.3
221.15404	3.4
225.07585	11.7
225.16368	3.5
227.14319	2.0
227.17961	5.3
229.15875	7.7
231.17470	5.0
233.15407	2.0
237.16435	1.9
239.17993	2.2
241.19450	2.0
243.08681	5.8
245.15498	1.5
247.16902	4.0
249.18452	2.0
251.17986	2.9
253.19492	1.3
261.09888	1.6
263.18057	1.4
264.08957	1.4
267.21072	2.0
273.09772	2.4
273.18604	1.4
279.10696	8.5
281.22647	1.9
291.21115	1.4
309.11838	3.4
335.68359	1.2
369.27850	1.9
385.28873	3.0
386.00620	1.4
391.29883	5.0
393.31775	2.0
403.30026	8.4
405.31332	2.8
409.30945	3.0
419.29562	3.6
421.31024	9.8
423.32614	3.9
431.29486	2.6
437.30359	8.1
439.32028	9.8
449.30347	10.4
455.31580	77.9
456.31821	7.6
457.33115	2.2
467.31543	22.6
468.31909	2.2
473.32480	2.1
485.32645	100.0
486.33054	9.1
496.34186	2.0
503.33667	83.2
504.34009	6.2
521.34814	17.1
601.37256	2.3
617.36658	2.8
631.37646	2.3
647.37769	6.0
649.39490	1.8
665.38177	1.9
667.40979	3.0
793.43665	11.4
978.34674	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	986.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00794	1.5
69.01224	1.9
69.03430	1.7
70.06580	1.3
71.04939	0.4
75.04472	1.5
76.39426	0.3
77.03920	0.8
78.04720	2.1
79.05484	3.8
81.03415	1.4
81.07062	0.6
82.04181	0.6
84.04502	0.9
85.02903	5.6
87.12684	0.3
89.03918	1.1
89.06041	0.5
91.05482	8.3
92.02593	0.4
92.54889	0.4
93.03400	6.8
93.07035	2.8
94.04206	0.5
95.04980	3.2
97.02899	1.9
97.06538	2.1
98.22623	0.7
102.04700	0.6
103.05464	14.4
105.03403	1.2
105.04503	0.9
105.06377	0.5
105.07041	5.0
106.04173	14.6
107.04967	5.8
108.02073	0.5
109.02862	0.4
109.06503	1.4
110.03650	1.2
111.04453	0.9
115.05478	3.3
117.03325	0.4
117.07025	2.5
118.04174	3.2
119.04950	1.9
119.08619	0.4
120.05733	0.7
121.06499	15.7
122.03650	0.6
123.04407	2.5
124.05246	1.8
125.05988	5.9
127.03910	1.1
129.06963	0.8
129.10251	0.6
130.04105	0.6
131.04929	12.6
131.05920	0.8
131.08566	0.5
132.05609	0.8
133.02843	1.1
133.06499	5.3
134.03632	2.1
135.04463	1.8
135.08047	1.2
137.05965	5.0
138.03085	0.7
138.06688	0.6
139.07553	1.2
141.06996	0.4
142.02612	1.5
143.04909	0.5
144.05658	1.2
145.02855	1.1
145.05022	0.7
145.06483	4.9
146.03621	0.7
147.04399	1.0
147.08026	1.2
148.05196	7.8
149.05980	26.5
150.06401	0.5
151.03908	2.1
151.07507	2.6
152.04652	0.8
152.08348	0.6
153.05487	2.9
153.09094	6.4
155.05957	0.7
157.06474	0.9
158.80315	0.3
159.04407	0.4
159.08037	1.6
160.05214	1.0
161.04721	0.7
161.05960	5.1
163.03923	1.6
163.07533	13.9
163.08916	0.7
164.07928	0.4
165.05457	0.9
165.09126	0.5
166.06262	0.8
167.07039	37.9
168.07368	0.9
171.06554	1.4
172.05215	0.4
173.06000	6.7
175.03894	0.4
175.07506	2.9
176.04671	1.6
177.05473	16.6
177.07014	0.8
178.05949	0.6
179.06993	1.4
181.04958	42.6
181.08565	15.3
182.05281	1.1
182.08853	0.4
183.06639	0.4
185.06029	0.4
187.07518	2.5
189.05443	0.5
189.09123	0.5
190.06223	1.4
191.07025	48.0
192.07512	1.8
193.04906	0.6
193.08601	3.4
195.06442	2.6
201.05458	1.1
203.07021	2.2
204.07838	0.4
205.08598	3.9
207.06497	2.6
207.08192	0.5
207.10216	1.2
209.08081	100.0
210.08432	2.5
215.20064	0.4
217.08591	2.2
219.06390	0.6
219.08235	0.7
219.10136	3.1
221.06015	0.6
221.08093	1.4
225.07419	0.8
231.06357	0.6
233.08073	3.7
235.07497	1.2
235.09651	4.0
236.08076	0.6
245.08083	1.4
247.07535	0.8
249.11285	0.6
251.09033	0.6
252.07616	0.4
253.08601	0.5
255.10080	0.5
259.09695	0.5
263.09158	12.1
264.07693	0.5
265.08405	0.7
265.10800	0.7
267.10077	1.2
279.09998	0.8
281.07703	0.5
282.92203	0.4
292.07166	0.6
295.09695	0.7
297.11197	1.3
307.09610	1.0
310.08127	0.5
313.10614	0.5
323.09048	0.8
325.10611	1.3
327.12360	0.6
329.13968	0.5
339.12216	0.8
341.12003	0.4
355.11765	0.8
357.13284	3.1
359.15030	0.8
367.11539	0.8
369.13120	1.0
371.14264	0.6
373.19431	0.4
383.14856	0.8
385.12772	4.9
387.14285	1.6
399.14059	1.7
417.15427	21.1
418.15836	0.5
453.29095	0.4
518.95013	0.4
577.20093	0.4
579.20441	2.7
597.22565	0.5
609.23083	0.8
741.26111	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	986.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	13.5
69.07072	15.8
71.04993	10.5
73.02924	10.3
73.93018	1.2
77.03941	2.1
79.05494	30.2
81.02972	2.3
81.03426	32.2
81.07060	57.3
83.01328	1.8
83.04983	40.2
83.08601	7.5
85.02917	11.8
85.06549	6.2
88.16708	1.2
91.05481	25.0
93.07050	65.7
95.04975	27.4
95.08610	34.8
95.85688	1.2
96.08928	1.5
97.02901	11.5
97.06532	35.5
99.04469	20.4
101.02382	15.1
101.06004	2.4
103.05475	4.0
105.04462	1.6
105.07033	58.8
107.04975	12.1
107.07861	1.9
107.08594	37.2
109.02882	33.2
109.06516	28.5
109.10169	9.3
111.04420	2.9
111.08086	40.1
113.06007	5.8
115.03948	2.8
115.05435	6.2
117.07027	13.8
119.03420	3.9
119.04925	3.1
119.08586	31.8
121.05622	2.6
121.06508	47.7
121.10140	8.9
123.04449	8.0
123.08063	12.0
123.11715	17.4
125.05991	23.1
127.03051	2.3
127.03920	29.8
127.07541	11.7
128.06244	3.1
129.07018	6.6
131.04951	1.2
131.08556	10.3
131.24422	1.6
132.05634	1.4
133.04987	2.7
133.06506	7.2
133.10143	32.5
135.04436	4.1
135.08047	24.0
137.05989	7.6
137.09625	2.0
137.21565	1.3
139.07549	19.5
140.07825	1.7
141.05487	1.9
141.06966	1.7
142.07788	7.1
143.03371	3.1
143.07047	10.5
143.08559	8.1
144.05661	2.1
145.04906	2.9
145.06511	25.0
145.10138	12.2
146.07266	1.4
147.02901	4.9
147.08054	10.2
147.11690	79.7
148.12001	3.5
149.05995	2.2
149.09636	2.9
149.13268	5.7
151.07544	3.6
151.11162	12.8
152.04860	1.7
153.09111	2.6
155.05977	2.0
155.07097	1.6
156.05690	5.7
156.09314	2.0
157.06516	3.0
157.08629	5.3
157.10132	20.6
159.06511	6.1
159.08037	5.2
161.04468	91.9
161.05888	5.4
161.09644	2.4
161.13278	10.2
163.07597	1.4
163.11192	3.8
163.14748	1.4
165.06993	1.9
165.12759	35.9
166.13132	1.5
167.07053	24.0
169.12248	36.0
170.12637	1.5
171.11682	16.4
173.04568	2.0
173.05978	30.6
173.09642	5.5
173.13246	2.5
175.11186	57.1
176.11600	2.0
181.04955	2.7
181.10138	4.0
187.06078	10.9
187.07568	2.9
187.11128	2.0
189.09093	2.4
189.12750	30.1
190.06262	22.3
191.10623	3.2
191.14291	1.3
193.12244	62.4
194.12695	1.6
199.11194	22.8
200.11501	1.6
201.07581	1.9
202.06204	2.7
203.07042	2.9
205.06992	4.6
205.08632	38.1
207.06467	1.9
207.13806	11.9
211.13292	76.3
212.13681	2.0
215.10721	2.1
217.08769	19.0
217.12233	60.5
218.12555	2.0
219.10176	3.5
223.09560	1.7
225.15050	1.6
227.05495	2.2
227.12784	1.9
229.14346	17.9
235.09854	6.5
235.13289	75.7
236.13557	3.4
239.09119	2.1
243.08540	12.5
253.14355	86.4
254.14600	2.4
255.13730	1.6
257.10178	3.0
259.08139	6.5
265.10751	6.8
271.15625	7.0
277.14178	1.6
287.05365	2.9
288.05783	2.1
293.13824	3.7
295.15442	2.0
301.14182	1.7
307.09546	1.5
307.15475	2.0
311.14905	14.6
315.08487	3.5
319.15475	3.2
325.16745	7.2
329.15872	14.3
330.10971	2.4
335.14923	12.3
337.16302	9.0
343.15161	3.1
353.15952	100.0
354.16348	3.2
355.13904	2.4
355.17590	24.6
361.16483	4.9
371.17041	57.6
371.21851	2.7
372.17404	1.7
373.18588	6.3
373.39505	1.4
379.17465	8.0
383.14908	4.0
389.17947	5.4
397.18570	8.9
401.15805	2.7
415.19617	1.5
461.17978	4.4
479.19159	11.2
497.20108	20.3
515.21210	23.1
533.22168	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	986.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	15.9
69.07070	1.0
69.29745	2.6
71.01355	2.1
71.04996	21.2
71.08637	1.0
73.02917	17.6
74.20477	0.4
75.04466	1.9
79.05495	1.3
81.03430	2.3
81.07047	2.4
83.01361	0.4
83.04983	65.5
84.05330	0.8
85.02906	21.2
85.06515	0.6
86.06077	1.8
87.04466	3.2
91.05481	1.0
93.07053	1.7
95.04973	5.1
95.08607	7.1
96.08112	0.5
97.02893	64.0
97.06546	1.2
98.03217	0.9
98.09701	0.8
99.04468	3.6
99.08095	0.7
101.02386	0.6
101.06022	1.4
105.07035	1.5
107.04967	1.0
107.08588	1.6
108.08170	0.5
109.02875	1.4
109.06520	1.5
109.10152	1.1
111.04443	70.6
112.04767	1.2
113.02390	1.0
113.06012	10.2
115.03932	13.5
116.10740	4.1
117.05492	4.5
117.06985	0.4
119.04935	0.8
119.08599	1.4
121.06529	1.3
121.10136	1.0
122.33389	0.4
123.04407	1.1
123.08056	0.5
125.06011	1.3
127.03887	1.9
129.05479	42.6
130.05811	1.0
131.08560	0.9
132.06543	0.5
133.04951	2.0
133.06494	0.5
133.10156	0.8
135.04442	0.6
135.08028	0.7
135.11697	0.7
137.02380	0.5
137.05998	2.2
137.09599	0.9
139.03949	1.0
143.03363	2.0
143.10637	0.5
145.05009	1.2
145.10126	1.2
147.08057	1.2
147.11696	0.5
149.13268	1.0
150.07625	0.5
151.07611	0.6
153.05486	2.6
157.04970	0.5
157.10146	0.8
159.11693	0.9
161.04529	0.9
161.05959	0.8
161.13263	0.9
163.03851	0.4
165.05501	2.8
167.07021	0.7
171.06523	18.1
171.11668	0.6
173.09651	0.5
173.13303	0.6
175.29398	0.4
177.05508	0.9
179.07033	1.0
181.04941	1.5
183.06651	1.0
187.06067	0.6
187.14764	0.5
189.07584	100.0
189.12653	1.6
190.07898	1.9
191.14314	0.7
193.04971	0.6
195.06525	0.6
196.16985	0.6
197.08122	0.5
199.05913	0.9
199.14815	0.5
201.12798	0.4
203.14311	7.6
207.06544	1.6
211.05995	2.0
214.18015	11.0
215.14273	0.5
217.07066	0.5
217.15872	1.7
225.07593	19.0
226.07861	0.8
229.07054	1.6
229.15892	0.5
231.08621	2.4
231.15733	0.5
243.08629	11.5
243.17627	0.5
244.08989	0.6
261.09641	0.4
269.17447	0.5
285.09653	1.6
295.33783	0.4
303.10788	2.4
310.23709	0.7
313.42596	0.4
321.11847	4.2
355.72568	0.4
357.11853	0.5
376.23181	1.3
402.28583	2.4
405.27655	0.9
407.29346	1.1
419.29370	0.9
423.28802	1.0
425.30411	2.9
435.28894	1.6
437.30347	2.3
451.28381	0.5
453.29828	0.7
455.31497	3.2
469.29456	4.8
470.29633	0.7
473.32486	0.9
481.29401	2.9
482.62418	0.4
499.30780	2.9
500.35693	1.7
517.31750	6.6
518.31525	0.7
538.28638	1.2
564.33807	0.9
565.34656	1.6
585.32788	0.4
601.32794	0.4
609.33936	0.6
643.37500	0.5
661.63416	0.5
662.40607	1.2
687.36835	1.1
824.45581	0.6
986.50037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	22.6
70.92574	0.9
70.92915	1.9
71.01357	3.2
71.05000	1.6
73.02922	14.7
73.77287	0.8
79.05537	0.8
81.03423	4.9
81.07077	1.5
83.04987	50.1
85.02911	100.0
87.04484	1.9
91.05484	1.1
95.04985	4.2
95.08619	3.2
97.02896	51.1
97.06499	0.8
99.04469	6.6
101.06010	1.6
105.07075	1.0
107.08589	0.9
109.02847	2.0
109.06548	1.8
111.04449	42.3
112.04771	0.8
113.02420	1.2
113.06028	1.4
115.03938	15.4
117.05506	1.1
119.08656	1.2
121.06528	1.4
123.04436	1.1
127.03942	8.0
129.05482	15.7
129.07036	0.9
133.06519	1.3
137.05968	1.3
139.03912	2.8
143.03426	2.7
147.06549	0.9
151.07541	0.9
153.05472	2.6
157.05011	4.7
161.06075	1.1
161.13203	1.1
165.08835	0.9
167.07047	1.6
170.39751	0.9
171.06535	92.8
172.06941	1.1
175.06062	8.0
177.05486	0.8
179.07037	1.3
181.04967	0.9
183.06546	1.2
189.07597	58.2
190.07904	1.4
191.14319	0.9
199.05978	2.2
201.07690	1.9
201.11443	0.9
203.14352	3.4
207.06578	3.0
211.06161	1.9
214.18018	1.0
222.71213	0.7
225.07570	10.6
234.11551	0.8
243.08678	10.2
261.09714	13.8
267.08563	0.8
279.60678	1.1
285.09717	3.3
303.10706	7.2
311.05142	0.8
321.11856	6.4
357.11816	1.6
393.13947	4.6
417.69995	0.8
425.30649	1.1
427.52936	0.8
435.29001	1.2
469.29581	2.1
473.32584	1.2
481.29453	1.1
499.30286	2.4
517.31390	4.7
687.36920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.2
69.07072	27.8
71.04995	4.9
73.02898	3.8
79.05495	81.4
80.05822	1.6
81.03420	8.6
81.07060	94.1
82.07415	1.9
83.04978	7.6
83.08624	13.7
85.02913	17.5
85.06552	4.1
88.03218	1.4
91.03959	6.8
91.05481	72.6
92.05795	1.6
93.07046	78.6
94.07362	2.5
95.04975	12.8
95.08612	59.9
97.02889	9.9
97.06529	12.2
97.10156	12.6
99.04444	2.6
99.08076	3.7
103.05473	1.8
105.04474	2.3
105.07034	60.9
107.04970	8.1
107.08598	51.6
109.02888	2.0
109.06522	10.1
109.10156	29.7
111.08075	3.6
113.09677	1.8
115.05466	3.0
117.07030	22.6
119.08585	44.2
119.09435	2.4
121.06514	3.6
121.10143	26.3
123.08089	5.4
123.11707	10.8
125.09622	9.2
127.03897	5.7
128.06232	2.7
129.07019	8.2
131.08571	28.6
133.06447	1.6
133.10135	35.6
135.08070	6.7
135.11708	15.8
137.09648	3.8
137.13298	1.9
141.06998	1.8
142.07767	2.8
143.08542	9.6
145.04958	2.7
145.10114	26.3
146.10472	1.8
147.08075	3.1
147.11703	25.6
149.09650	9.3
149.13239	8.5
151.11237	3.8
153.09106	1.5
155.08574	4.0
155.10616	1.4
157.10176	7.2
159.08026	1.8
159.11691	20.8
161.13252	8.3
163.11191	6.9
163.14853	4.5
165.09093	1.5
165.12753	3.0
169.10155	5.5
171.10321	2.0
171.11665	7.2
173.11824	2.9
173.13202	11.9
175.11206	1.6
175.14804	4.7
177.12874	3.6
179.14313	2.8
181.10194	2.0
183.11705	4.4
185.13272	11.5
187.11249	1.8
187.14822	4.3
189.11246	5.5
195.11682	2.4
197.13284	4.0
199.14767	2.9
201.16492	1.9
203.14293	3.0
213.16516	2.5
215.18198	2.0
219.17445	5.4
227.12764	15.7
229.14359	6.0
229.19505	3.0
239.18015	7.1
241.19684	2.1
243.21021	2.9
243.65086	1.6
247.20554	3.3
257.19061	13.2
259.20663	5.5
261.22195	11.8
267.15836	7.3
269.17563	6.8
275.20074	67.7
276.20377	2.8
293.21152	5.3
313.21362	1.8
313.99594	1.6
317.24850	2.4
325.25766	1.6
331.22641	3.1
333.24268	3.5
335.25824	100.0
336.26077	6.4
349.23734	63.9
350.24326	2.4
351.25583	2.0
367.25143	1.8
405.13458	1.9
489.35757	4.5
505.35028	2.8
515.37390	2.4
529.38959	13.6
530.39685	1.8
535.40350	1.9
545.37933	3.8
553.42371	2.2
569.41809	8.2
609.45154	88.9
610.45148	10.7
627.46161	13.7
753.49304	2.1
987.58844	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.4
69.07066	15.5
69.08732	9.1
71.04989	2.9
71.08619	1.0
73.02908	3.6
77.03933	1.3
79.05491	56.4
80.05847	1.0
81.03414	8.3
81.07055	63.0
82.07391	1.4
83.04961	6.3
83.08619	10.7
85.02905	8.0
85.06530	3.5
91.03950	4.0
91.04889	1.5
91.05479	47.3
93.07043	60.0
94.07407	1.4
95.04972	6.7
95.08608	44.7
95.75568	0.9
97.02904	7.6
97.06542	7.4
97.10153	7.0
98.22562	1.8
99.04445	2.8
99.08060	2.2
103.05465	2.4
105.04541	2.1
105.07033	31.8
107.04964	2.9
107.08597	32.6
109.02842	1.9
109.06513	4.6
109.10154	30.6
110.10466	1.3
111.08060	2.8
115.05444	2.2
117.07010	17.1
119.08577	24.6
121.06480	3.1
121.10141	26.5
123.08086	2.8
123.11729	5.8
125.09628	4.7
127.03894	3.7
128.06238	2.3
129.05489	1.3
129.07025	5.8
130.07770	1.6
131.08572	23.7
133.10129	18.1
135.08047	3.8
135.11696	12.5
137.09612	4.4
137.13251	1.7
139.11179	1.6
141.07072	1.2
142.07796	1.4
143.08571	5.0
145.04948	2.2
145.10117	17.5
147.11687	12.7
149.09641	5.4
149.13252	7.8
151.11147	1.5
155.08551	2.2
155.10648	1.2
157.10127	6.3
159.11705	13.5
161.09554	1.4
161.13239	6.1
163.06084	1.7
163.11125	3.0
163.14822	2.5
169.10115	1.8
171.11697	4.4
173.04440	2.4
173.09694	1.1
173.11723	4.1
173.13281	6.8
175.14792	1.7
177.12733	1.9
181.10225	1.1
183.11652	3.7
185.13261	4.1
187.11172	1.3
187.14842	3.6
189.11182	2.5
189.12724	1.3
189.16451	1.4
191.14304	1.9
197.13293	1.9
199.14839	3.5
201.16280	1.8
203.06892	1.2
203.14371	1.8
205.15874	1.0
211.14877	2.2
213.16510	1.6
217.15886	1.8
219.17351	2.0
227.12804	6.2
229.14334	17.5
235.16862	1.1
239.17886	3.1
241.19604	1.3
243.20975	2.9
247.83586	1.2
257.19019	6.1
259.20538	2.6
261.22147	11.4
269.15070	1.2
269.17441	6.4
275.20032	20.2
291.19479	1.5
293.21094	2.1
309.20560	7.7
313.25214	1.0
317.24734	2.1
331.22614	2.8
333.24106	1.7
335.25793	100.0
336.26205	7.2
349.23718	16.0
367.24857	1.9
489.35767	13.9
490.35815	2.4
515.37115	3.5
529.38928	27.9
530.39063	4.0
543.32001	1.3
543.40259	3.5
553.41797	1.2
569.41949	27.3
570.42267	4.6
609.45020	28.8
610.44977	4.1
627.46326	6.1
771.49786	1.4
846.80701	1.1
986.55426	1.4
987.54718	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	990.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	6.1
69.08627	31.0
69.09020	9.4
70.06601	10.0
71.05000	10.7
79.05495	9.4
79.41035	3.9
81.03421	7.8
84.08111	4.9
85.02908	36.1
91.05482	12.7
93.07036	7.7
93.49342	4.8
95.05009	5.5
95.08616	7.3
97.02907	12.0
103.05449	16.2
105.07035	12.1
107.04951	6.6
107.08605	5.2
109.02883	7.7
115.05486	9.0
117.07016	8.5
119.08572	6.9
121.06527	6.7
121.10094	6.6
123.04339	5.0
127.03985	7.9
131.04929	19.2
131.08592	8.3
132.05684	5.4
133.02832	9.6
133.06525	6.4
133.10158	8.9
134.04944	4.4
135.04439	7.1
137.05989	27.9
145.06516	13.2
145.10106	9.4
147.04390	13.0
148.05191	7.5
151.07610	6.1
161.06001	10.4
163.07539	8.2
165.05487	8.4
167.07042	100.0
173.05989	15.2
175.07623	6.7
177.05450	6.6
179.07051	11.8
181.04979	69.8
187.14859	10.0
191.07065	32.3
191.17816	5.2
193.08531	7.6
199.14769	5.0
203.07080	8.7
205.08514	8.0
233.08006	5.8
235.09625	8.2
249.11082	6.1
250.11670	4.7
263.09195	10.2
329.10214	5.4
357.13239	11.3
385.12869	13.3
387.14471	7.3
405.31348	6.0
417.15228	24.0
467.31384	5.7
469.33252	6.5
565.20538	26.1
566.20978	6.5
613.22534	15.5
650.91650	4.8
775.28510	24.2
990.32019	7.0
991.36072	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	990.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	3.9
69.35242	9.8
78.04712	1.9
79.05485	4.3
81.03410	4.4
81.07071	2.9
82.04200	1.6
85.02905	6.3
91.05475	10.0
93.07027	1.6
95.04974	3.7
95.08607	1.6
97.02889	3.9
98.23308	2.5
103.05467	11.7
105.03411	2.6
105.07018	5.1
107.04967	9.8
107.08547	1.4
108.02042	1.4
110.03648	1.8
111.04405	2.4
115.05464	9.6
117.07046	9.0
118.04137	1.8
119.04942	9.6
121.06541	4.0
122.03689	1.3
123.04453	8.3
124.05222	2.5
125.05968	4.2
127.05313	1.2
129.06970	2.0
131.04947	12.9
132.05814	1.3
133.02849	6.1
133.06476	6.0
135.04420	2.7
135.08006	1.9
137.05984	19.7
143.04897	1.7
145.05412	1.7
145.06479	12.3
147.04399	10.2
147.07977	1.9
148.05157	4.2
148.97565	1.4
149.05977	4.1
150.67651	1.4
151.03920	3.7
151.07536	5.8
152.04663	1.8
153.05450	5.4
155.06039	4.5
159.04420	1.3
159.08002	2.5
160.05240	2.5
161.05974	9.8
163.07526	11.5
165.05417	3.8
167.07042	100.0
168.07376	4.0
171.04457	1.4
171.06580	2.5
173.05972	17.3
175.07539	5.3
177.05486	4.1
177.09311	1.4
179.07092	9.7
181.04959	65.4
182.05289	2.9
187.07549	3.3
190.06305	2.6
191.07024	33.9
193.08643	2.5
195.06462	2.4
195.08145	1.6
201.05524	3.7
203.07036	8.8
205.08511	10.5
207.06482	2.3
211.07730	1.8
217.08537	1.7
219.10136	4.0
221.07964	2.1
231.06538	1.6
233.08073	6.7
234.08838	1.4
235.07579	1.8
235.09604	7.4
247.09673	1.9
249.11275	1.7
257.08163	1.3
263.09146	14.4
265.08398	2.6
267.09976	2.1
277.08493	1.7
287.05634	3.9
297.11169	3.8
309.07440	1.5
309.11163	3.2
313.11316	1.8
321.11313	1.7
325.10693	3.0
326.11478	1.6
327.12418	2.7
339.12204	1.9
347.64020	1.4
357.13181	6.7
385.12827	13.1
386.13116	1.7
387.14346	2.6
399.14206	2.2
401.15787	2.0
415.13858	2.9
416.14798	6.5
417.15472	29.1
418.15628	1.7
549.20276	1.4
565.20618	27.4
566.20892	3.0
577.20197	3.4
595.21198	2.0
613.22668	17.4
614.22571	1.8
715.26758	2.3
775.28168	28.3
776.27484	2.6
990.37061	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07073	11.6
70.06595	3.1
71.05003	3.9
79.37672	0.3
84.08127	0.7
94.06592	0.6
95.04973	36.7
96.05304	0.9
96.63169	0.3
98.22610	1.0
104.36342	0.3
109.49110	0.3
112.07610	100.0
113.06012	19.3
113.07918	2.1
114.06297	0.3
115.69035	0.3
130.08727	0.5
155.07021	2.8
173.08128	2.4
224.12833	20.0
225.11220	0.8
225.13217	0.8
242.13875	0.7
284.14944	19.2
285.15460	0.6
291.78897	0.3
336.18011	2.9
340.02988	0.3
345.15359	0.5
381.17877	0.3
396.19980	0.7
397.18533	0.5
420.01569	0.3
456.22504	0.3
508.26013	0.5
533.48846	0.3
598.58612	0.4
680.32935	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03366	0.9
70.45785	1.8
83.04911	1.4
85.02803	2.2
95.07319	0.6
97.02813	1.6
99.04392	0.8
105.06960	1.0
111.04406	1.0
120.08055	0.6
127.03803	0.7
133.09964	0.8
154.02393	0.7
155.03181	5.0
165.91794	0.8
167.27631	0.6
171.02600	0.9
173.04115	2.6
193.04884	0.6
223.05740	4.1
227.05276	3.4
235.15469	0.7
272.15698	0.7
283.07880	7.8
285.09442	0.9
287.05350	1.4
331.67361	0.8
343.09964	7.8
371.09409	0.9
438.14261	0.9
457.12943	0.8
475.14243	100.0
476.14584	3.7
477.15634	0.8
495.30905	13.2
496.31055	1.3
780.19214	0.7
811.28094	0.9
829.29572	2.1
899.44122	0.9
947.46002	19.7
948.46246	1.9
991.45123	92.8
992.45325	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	991.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	5.8
69.07070	3.3
69.09827	6.6
69.10143	1.6
71.01369	0.9
71.04996	17.4
73.02927	2.3
75.04481	4.2
79.05480	6.1
81.03434	2.8
81.07056	11.6
83.04997	8.9
83.08635	1.9
85.02909	54.2
85.06521	1.4
87.04465	1.4
91.05478	9.7
93.07055	12.6
95.04982	8.3
95.08611	29.2
96.08968	1.1
97.02894	4.8
97.06554	2.8
97.10175	1.2
98.23370	1.5
99.04452	4.0
101.06062	1.3
103.03968	0.7
105.07036	20.7
107.08604	16.1
109.02882	1.7
109.06518	3.7
109.10155	9.9
111.04442	6.7
111.08083	1.5
111.80067	0.8
115.05420	0.9
117.07025	3.5
119.08582	36.8
121.06527	4.0
121.10143	12.8
123.08100	4.5
123.11716	2.2
127.03920	5.7
128.06276	1.0
129.05495	15.5
129.06897	3.7
131.08575	15.1
133.06485	1.5
133.10138	15.1
135.08043	4.4
135.11694	5.6
137.09630	2.7
137.13260	1.2
141.06976	1.2
142.07834	2.1
143.08583	9.2
144.09360	1.6
145.04970	4.6
145.10138	29.7
147.06551	11.5
147.08049	4.6
147.11696	10.7
149.09641	3.4
149.13261	3.8
151.11113	1.4
155.08582	2.8
156.09361	1.1
157.10121	10.7
158.10789	0.9
159.08089	1.2
159.11716	15.5
161.09610	4.6
161.13268	10.3
163.06059	2.1
163.07457	1.0
163.11192	1.6
163.14792	4.3
167.07056	0.9
167.85030	0.8
169.10158	3.6
170.10896	1.5
171.11693	7.6
172.12480	1.2
173.09702	1.8
173.13269	11.8
174.13637	0.8
175.11206	2.5
175.14827	9.3
177.09166	0.9
177.12761	1.8
177.16457	2.8
179.14285	1.3
181.10146	1.1
182.10829	1.1
183.11694	3.8
184.12494	1.0
185.13246	8.0
187.11269	1.5
187.14828	36.6
188.15152	1.1
189.09233	0.8
189.12759	7.3
189.16380	7.4
189.53421	0.8
191.10715	0.9
191.14363	5.5
195.11725	1.0
197.13258	3.9
199.14818	10.7
199.16512	1.2
201.12718	1.8
201.16405	12.1
202.16689	1.1
203.14328	27.9
203.18095	2.1
204.14752	1.3
205.12312	0.8
205.15897	7.7
207.11678	0.9
209.13303	1.4
211.14856	3.2
213.16454	10.0
215.14310	6.8
215.17998	3.2
217.15875	7.2
219.13824	1.0
219.17485	1.5
221.15381	1.7
223.14886	1.3
225.16486	2.1
227.14360	1.2
227.17973	3.4
229.15938	4.9
231.13870	1.1
231.17372	4.1
233.15440	2.8
235.16901	0.8
237.16475	1.8
239.17931	2.0
241.19562	1.4
243.17514	1.3
245.15474	1.6
247.16991	2.8
251.17891	2.2
253.19534	1.8
255.08702	1.1
255.21013	1.6
259.16794	1.0
267.21030	1.5
273.09744	1.4
307.23990	1.5
309.11798	6.5
385.28772	1.1
387.30402	1.3
391.30029	4.3
401.04178	1.0
403.30093	4.8
405.31528	3.6
419.29602	1.4
421.30951	9.1
422.30991	1.0
423.32681	4.3
431.29462	2.1
437.30576	6.1
439.32217	4.1
441.33682	1.0
449.30530	9.7
455.31580	77.9
456.31775	5.5
467.31607	16.5
468.31958	1.3
473.68326	0.8
485.32654	100.0
486.33017	8.2
496.34259	1.3
503.33685	71.2
504.34232	5.1
521.34851	17.7
522.35138	1.4
617.37311	1.2
631.38336	1.0
647.38098	1.6
667.40137	1.4
956.90216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	2.6
69.03772	0.2
69.07062	0.7
69.14350	1.1
71.01368	0.5
71.05003	0.4
73.02919	2.8
73.03308	0.2
76.57230	0.1
79.05504	2.1
81.03422	1.3
81.07063	2.3
83.05009	0.3
83.08614	0.3
85.02905	3.7
91.03961	2.1
91.04437	0.2
91.05476	1.7
93.07045	1.8
95.05014	0.5
95.08604	1.6
97.02893	4.0
97.03499	0.2
97.10197	0.3
99.04440	0.9
101.02379	1.3
105.07018	1.0
107.08578	1.0
109.02893	0.5
109.06487	0.2
109.10168	0.5
111.08071	0.2
115.03981	0.2
117.07057	0.4
119.08563	0.8
121.10133	0.8
123.11745	0.2
127.03918	1.1
131.08615	0.4
133.10152	0.4
135.11749	0.4
141.25000	0.1
145.05009	0.2
145.10190	0.4
147.11748	0.5
159.11792	0.3
161.13234	0.2
179.42404	0.1
185.04233	0.9
201.03796	0.4
203.05280	0.7
203.68042	0.2
204.93683	0.2
223.03543	0.2
243.08405	2.1
259.08038	0.3
301.09030	0.3
312.49207	0.1
313.08997	0.2
315.10495	0.2
329.08649	0.3
333.20444	0.7
335.25827	0.3
347.09494	2.3
347.13406	0.2
363.09045	0.8
365.10590	0.9
389.22961	0.2
405.13684	4.7
405.18866	0.3
406.13770	0.3
421.13190	0.2
425.21732	0.2
463.14767	0.4
465.21286	0.2
477.15976	0.3
486.39172	0.2
489.15897	0.2
519.29352	2.8
520.29877	0.3
533.22052	0.3
551.28149	1.8
591.31982	0.3
627.27338	0.3
667.45355	0.2
681.34491	7.5
682.35199	0.7
699.31000	0.2
713.33527	5.9
714.34265	0.6
725.50958	0.2
753.36908	0.4
829.50836	1.5
858.58325	0.2
901.32159	0.2
905.46936	0.2
991.55927	100.0
992.56274	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	991.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.0
71.01359	1.0
72.82409	0.7
73.02930	2.6
79.05502	1.9
80.08557	0.6
81.03426	1.3
81.07071	2.5
85.02911	3.7
88.85187	0.6
91.03981	2.1
91.05486	0.9
93.07078	1.9
95.08639	2.2
97.02891	3.4
97.06537	0.6
98.22532	1.4
101.02399	1.2
105.07087	1.2
107.08599	1.2
109.10214	0.9
118.62041	0.7
127.03930	1.4
128.82256	0.7
173.61490	0.7
207.68137	0.6
223.16948	0.6
243.08530	2.3
318.13483	0.6
333.20605	0.7
347.09595	1.0
365.10764	0.8
405.13745	3.8
519.29443	3.6
551.28278	1.6
681.34766	7.9
713.33557	2.8
991.55963	100.0
992.56677	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	5.0
69.07078	3.0
69.08785	4.6
71.01360	1.0
71.04995	52.3
73.02917	3.3
75.04494	4.3
79.05489	2.3
81.03422	2.6
81.07058	5.7
83.04983	12.1
83.08609	0.8
85.02907	100.0
86.03247	0.8
87.04477	2.4
91.03941	0.7
91.05493	3.8
93.07036	5.2
95.04984	1.1
95.08611	11.1
97.02897	9.9
97.06532	0.7
97.10160	0.8
98.23372	1.0
99.04446	1.7
101.06010	0.7
103.03931	1.0
103.05447	1.0
104.84167	0.6
105.07043	8.3
107.04963	0.7
107.08596	7.4
109.02882	1.7
109.06542	1.1
109.10149	5.3
111.04450	9.0
111.08063	0.9
112.20654	0.6
115.03951	0.6
115.05470	0.9
117.07050	1.2
119.08583	12.8
121.06531	1.6
121.10140	7.2
123.08106	0.8
123.11726	1.8
125.09627	1.4
127.03915	9.0
129.05482	38.6
129.07021	2.2
130.07817	0.6
131.08571	8.3
132.29514	0.6
133.10132	8.2
135.08047	1.4
135.11708	3.2
137.05960	0.8
137.13177	1.1
142.07767	0.8
143.08551	3.4
145.04951	6.6
145.10127	13.9
147.06528	23.6
147.07903	1.2
147.11703	5.2
149.06036	0.7
149.13307	2.7
151.11230	0.7
153.05476	0.7
155.08507	1.2
156.09320	0.8
157.10109	5.7
158.10953	0.8
159.11703	8.4
161.09596	1.3
161.13269	4.7
163.06044	2.4
163.07396	0.5
163.11174	0.7
163.14819	3.0
165.07565	1.1
167.07060	0.9
169.10170	1.0
169.34332	0.6
170.10924	0.9
171.11734	2.7
172.12505	0.7
173.13249	11.2
175.11212	0.6
175.14850	5.2
177.05489	0.6
177.12794	1.1
177.16345	3.1
183.11702	1.3
184.12244	0.7
185.13269	9.1
187.11281	0.6
187.14819	19.2
188.15250	0.8
189.12747	1.9
189.16388	8.6
191.14310	1.3
191.17984	1.4
193.15918	0.8
197.13216	1.2
199.06175	0.6
199.14827	10.8
200.15234	0.6
201.12741	1.1
201.16408	10.5
203.14326	12.8
203.17918	3.3
204.14633	1.2
205.15866	7.9
207.06509	0.9
207.17482	2.4
209.13280	0.9
211.14941	0.7
213.16420	4.1
215.14412	1.2
215.17969	3.1
217.15858	4.8
217.19557	0.9
219.13940	0.9
219.17441	2.3
221.15274	1.4
225.16394	1.7
227.14212	0.6
227.17961	2.2
229.15935	1.4
231.17531	1.9
233.15445	1.5
233.19054	1.4
235.16899	1.1
237.07603	1.4
241.19435	1.1
245.15413	1.6
247.16946	1.7
249.14964	1.1
249.18578	0.9
255.08626	3.3
255.21146	1.0
263.16461	1.8
269.22662	0.6
273.09741	4.1
287.05646	1.9
309.11774	5.9
375.30548	2.0
387.30539	1.4
389.32318	1.0
393.31555	1.8
405.31543	10.2
406.32004	1.0
407.33188	2.4
411.32880	0.6
421.31149	3.6
423.32632	11.6
425.34387	1.3
433.31131	3.8
434.31378	0.6
439.32266	2.9
441.33633	7.7
442.33966	0.7
451.32080	17.1
452.32736	1.2
457.33002	1.3
459.34503	1.9
469.33194	26.6
470.33667	1.2
485.32343	0.7
487.34219	17.5
488.34494	1.8
505.35223	2.0
518.32214	0.9
597.37427	0.7
633.39758	1.0
652.56952	0.6
705.22028	0.6
798.29639	0.8
992.35925	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03195	5.6
69.03443	11.2
69.07081	4.4
70.06620	2.3
70.32903	1.3
71.04995	50.9
73.02923	14.1
75.04486	6.0
79.05498	8.8
79.20941	1.2
81.03434	2.3
81.07064	14.3
83.04983	18.3
83.08667	2.8
85.02908	100.0
87.04469	3.0
91.05480	13.3
93.07056	13.4
95.04974	7.4
95.08611	18.5
97.02897	28.6
97.06547	3.5
99.04470	4.5
103.05467	1.9
105.07029	34.7
107.04960	3.0
107.08582	19.8
109.02885	2.6
109.06544	5.1
109.10188	6.9
111.04438	11.0
113.05984	2.8
115.03925	10.9
115.04544	1.1
115.05448	3.3
117.06997	7.8
119.08582	32.1
121.06536	7.8
121.10139	12.1
123.08080	3.6
123.11747	1.7
125.05981	1.4
127.03936	5.7
128.06242	4.0
129.05492	23.7
129.06993	8.9
130.07747	1.3
131.04936	1.3
131.08572	35.2
131.09499	2.6
132.08998	1.6
133.05002	2.2
133.06537	4.9
133.10135	20.8
135.08086	7.0
135.11703	4.4
137.05969	2.5
137.09610	1.8
139.03868	1.6
141.06999	1.9
142.07782	4.1
143.08565	21.5
144.09317	2.1
145.04964	4.2
145.06451	1.7
145.08995	3.2
145.10132	52.9
145.11256	2.9
147.06544	12.7
147.08015	9.0
147.11719	13.7
149.06047	2.9
149.09612	3.9
149.13313	3.7
155.08546	6.7
156.09401	4.9
157.10136	31.4
159.08078	4.2
159.11699	26.6
161.06006	3.6
161.09625	15.4
161.13260	11.8
163.06050	2.1
163.07455	2.0
163.11201	2.9
163.14828	2.5
165.05478	2.2
165.09065	1.6
167.07115	2.3
167.08531	2.0
168.09392	2.2
169.04993	2.3
169.10170	11.9
170.10880	3.9
171.11697	21.4
173.09673	3.3
173.13272	39.1
175.11230	6.6
175.14850	12.2
177.12695	3.0
177.16481	1.4
179.07175	1.7
179.08749	1.4
181.10167	3.4
182.10989	1.8
183.06508	1.6
183.11696	17.0
185.09665	2.2
185.13254	49.8
186.13644	1.6
187.11214	2.9
187.14839	37.3
189.12761	22.3
189.16406	4.6
191.14258	9.8
193.08636	2.3
193.16037	1.7
195.11760	4.6
196.12524	2.2
197.13277	11.7
199.11160	2.0
199.14825	32.2
201.12767	13.1
201.16373	11.4
203.14323	39.2
204.14696	1.8
205.12190	2.0
205.15938	4.7
207.13942	1.7
209.13261	4.6
211.14861	10.1
213.12735	2.4
213.16394	9.6
215.14290	8.7
215.17931	3.0
217.15889	16.0
219.13789	14.4
221.15388	12.6
223.14876	3.8
225.07584	7.9
225.16460	3.7
227.14410	3.3
227.17966	3.4
229.15915	6.8
231.13832	5.5
231.17464	4.1
233.15425	2.7
237.16527	2.7
239.14323	1.9
241.19569	1.9
243.08636	5.0
243.17421	2.4
245.15375	3.4
247.17088	1.8
249.16678	1.7
251.18034	2.5
253.19733	2.2
255.08607	2.1
255.17424	1.8
263.16376	1.5
277.19232	1.8
279.10712	6.9
283.20578	1.5
309.11816	3.6
371.27206	2.4
376.39023	1.5
377.28098	1.9
389.28406	11.0
391.29980	3.8
401.28290	8.8
403.29959	1.9
405.27985	2.2
407.29504	12.5
417.27780	4.5
419.29385	10.6
421.31155	1.9
425.30621	5.5
435.28983	27.8
437.30444	12.9
447.28909	9.9
453.30127	20.0
455.31622	7.7
465.30072	24.4
466.30212	2.5
471.31097	48.2
472.31366	3.1
473.32520	3.8
483.31052	29.4
484.31543	2.2
491.33624	2.8
501.32120	82.2
502.32449	6.1
519.33154	69.0
520.33063	4.0
537.34235	18.0
538.34479	2.0
594.47681	1.3
598.43311	1.6
617.36951	1.7
633.36224	3.1
647.37347	4.0
663.37183	4.5
683.39636	2.0
809.42981	6.3
901.45233	1.6
994.35266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07055	1.7
70.06573	0.8
70.32884	2.6
74.68045	0.8
79.05479	2.6
80.05013	1.4
81.03426	1.3
81.07058	3.3
83.04954	1.0
83.08606	1.0
85.02901	3.6
91.05508	2.5
93.07030	5.4
94.06573	7.3
95.04939	1.6
95.07357	4.3
95.08607	3.5
96.08143	6.7
97.02911	1.6
97.06518	1.4
105.06996	1.3
106.06551	1.5
107.04932	1.0
107.08583	1.9
108.04473	4.1
108.08120	12.5
109.02930	1.0
109.10156	2.4
110.09690	14.5
119.08572	2.5
120.08121	11.3
121.06552	1.4
121.10132	1.4
122.06041	6.1
122.09626	1.4
124.07615	1.8
127.03893	1.7
132.04437	2.4
133.06465	1.0
133.10156	1.4
134.06044	1.9
136.07590	7.1
137.06029	0.9
138.09146	14.8
143.03323	0.9
145.04941	1.0
147.11707	1.4
148.07576	4.8
150.09137	3.1
152.07047	2.5
160.03960	10.4
160.05173	1.4
163.05980	1.4
164.07100	1.1
166.08638	23.6
172.03979	2.0
172.07562	0.9
174.09012	1.3
178.04994	1.5
189.16418	3.0
190.04953	1.4
192.06645	1.0
195.06076	0.8
197.10785	1.1
199.08691	1.4
204.06570	2.2
207.17451	1.7
208.09781	2.2
211.08597	5.0
211.12277	2.6
212.09438	2.6
212.12990	1.1
213.06546	1.1
213.10165	5.5
220.07784	0.9
222.11478	1.3
223.08636	5.9
223.12282	2.9
224.09283	2.1
225.10233	20.3
225.13766	1.2
225.18404	1.3
226.10999	9.9
227.11765	7.3
234.11629	1.1
235.08615	3.1
235.12317	2.2
236.09419	3.6
237.10161	10.1
237.13882	2.0
238.10899	6.9
239.08195	13.2
239.11786	25.1
240.08315	1.1
240.12442	7.0
241.09694	1.2
241.13242	1.8
243.11250	1.9
248.09436	1.8
249.10275	5.6
249.18475	3.8
249.41716	1.0
250.10971	5.7
251.08301	4.3
251.11803	23.5
252.08919	1.6
252.12463	5.5
253.09735	9.9
253.13335	14.2
254.10526	11.2
254.13858	1.5
255.11234	1.9
263.11810	15.6
264.08853	2.1
264.12534	3.4
265.09750	9.0
265.13354	22.2
266.10529	4.0
266.14078	4.5
267.11310	13.1
267.14508	1.4
268.12115	1.7
271.10803	3.3
277.09650	3.2
277.13007	0.9
278.10541	4.6
279.11282	14.4
280.12024	3.0
281.12830	21.3
282.13367	1.7
283.10776	5.1
283.13986	1.5
284.11462	1.6
285.12326	16.0
286.13116	4.1
287.05356	4.3
291.11200	3.3
293.12714	9.9
296.11536	2.0
297.12421	5.7
298.13077	2.9
299.13907	15.3
305.08997	1.2
307.10718	2.3
309.12332	19.7
309.15897	1.1
310.12903	3.2
311.10425	1.3
311.13910	18.0
312.14328	1.5
313.11853	1.3
313.15335	1.5
319.10706	2.6
320.11407	0.9
321.12277	2.9
323.13834	2.2
325.11700	2.1
325.15253	1.1
326.12494	1.6
327.13382	26.2
328.13931	2.1
337.11761	2.9
338.12607	2.6
339.13342	5.6
341.14996	35.0
342.15576	1.8
351.13495	9.5
352.13718	1.8
353.15002	20.6
354.11804	1.7
355.16940	1.1
356.13550	2.4
357.14581	2.0
358.15280	2.0
359.16101	3.7
360.16904	1.5
367.12842	1.6
369.14468	38.3
370.14859	3.0
371.16003	11.1
372.16782	2.8
379.13165	2.1
381.14435	3.1
383.16284	1.3
399.15683	1.6
400.16315	1.4
401.17038	2.2
402.17819	1.1
411.15448	15.0
412.16083	2.1
413.17084	22.1
414.17825	3.4
432.19199	1.4
446.20786	1.1
448.18234	2.1
455.14273	1.2
460.18500	2.4
462.20044	2.6
467.14917	1.2
473.15549	11.6
474.20081	3.8
480.21167	5.9
485.15439	1.9
487.17212	8.9
490.20044	1.2
492.21216	8.6
493.21915	1.4
497.15509	6.5
498.15771	1.2
499.17151	6.8
502.20184	1.2
506.22699	1.5
513.14990	2.1
514.15570	1.2
515.16595	43.5
516.16711	3.6
525.15143	2.2
527.16467	4.8
529.18286	1.7
534.22089	2.0
545.17688	2.5
546.17957	1.1
547.19165	13.5
557.17609	16.3
558.17902	1.9
559.19104	16.9
560.19421	1.9
613.26343	2.5
620.21844	2.0
627.27844	1.3
630.20795	1.3
636.12128	1.4
636.21814	24.0
637.22717	1.5
645.28656	2.6
648.21851	32.2
649.22382	2.5
650.22870	2.3
662.22974	3.1
668.24518	99.2
669.24530	10.0
678.22754	1.1
679.23126	1.9
680.24487	100.0
681.24750	13.1
711.25989	3.9
712.26746	3.8
783.28741	4.6
783.40417	1.0
801.29431	5.0
815.31219	5.2
828.94366	1.0
833.31757	6.1
841.27051	1.2
873.31592	1.4
995.35724	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20354	1.9
71.31287	2.2
77.12454	2.2
79.05486	6.7
85.02930	2.9
91.05478	6.1
93.05818	2.3
93.07028	4.4
94.06577	7.6
95.05000	3.0
95.07331	4.0
96.08145	11.8
97.02930	2.2
102.04681	3.9
103.05473	9.0
105.07040	25.0
107.04961	3.3
107.07352	2.6
108.08137	11.9
110.09671	20.2
115.05480	11.0
117.47337	1.7
118.04162	7.1
119.04953	3.5
120.08112	15.0
122.05990	2.4
124.07561	2.2
130.04132	3.7
131.04929	8.1
133.06500	16.7
136.07602	12.8
138.09129	23.2
148.07613	7.3
150.09148	6.7
159.36888	2.1
161.05975	25.8
163.07597	1.9
166.08646	33.0
167.07059	12.6
173.06026	2.0
176.04683	6.9
181.04993	4.9
191.07045	32.7
193.08643	8.1
207.06680	2.5
209.08186	2.8
223.12238	1.9
225.10130	2.8
231.06645	3.7
235.08630	2.4
235.12276	2.9
237.10136	3.6
238.11014	3.4
239.11807	7.0
242.24655	1.8
248.09375	3.3
249.10233	11.4
250.10994	9.6
251.11842	13.9
252.12460	3.6
253.13338	2.7
259.64529	1.8
261.10278	8.8
262.11002	6.0
263.09061	3.4
263.11807	33.1
264.09073	1.8
264.12500	6.5
265.09760	5.6
265.13330	11.2
267.11298	3.3
275.11734	4.0
277.09714	14.8
277.13046	2.2
278.10489	3.4
279.11307	22.3
280.11987	3.0
281.12811	9.1
283.10852	2.6
285.12485	2.8
289.09616	11.6
290.10510	4.2
291.11276	35.5
291.14316	4.0
292.11960	12.2
293.09695	3.3
293.12726	14.2
295.10730	8.8
296.11301	2.3
297.12271	6.6
303.11325	2.5
307.10767	12.5
309.12323	15.3
311.13727	2.8
318.10107	2.6
319.10828	7.2
321.12366	28.2
322.13022	2.4
323.10101	4.2
323.13950	2.0
325.11804	6.6
328.14441	2.6
333.12305	3.0
335.10245	4.8
336.11087	14.3
337.11761	30.6
337.15530	3.1
338.12347	2.4
341.14948	3.0
349.11850	30.1
355.12866	6.0
357.14285	5.8
361.11783	2.4
369.14563	36.2
370.15015	5.0
379.13672	2.4
381.14810	10.1
385.17578	2.9
395.14182	3.0
399.13391	2.4
411.12860	3.0
413.15060	3.1
414.16565	2.4
423.13638	2.2
424.14182	2.5
425.15256	3.8
427.16516	3.6
430.17340	2.0
440.16843	3.5
444.19238	4.2
446.21024	2.8
455.15845	3.6
470.16763	2.2
472.18597	7.6
473.75085	2.3
487.18124	4.9
488.18280	7.9
489.18930	12.1
490.19611	22.7
499.18362	6.4
502.19846	26.6
515.17999	2.4
520.21075	5.2
522.22534	14.1
527.18042	9.5
529.18756	2.5
532.20801	2.8
533.21082	6.3
534.22363	100.0
535.22491	8.9
547.20831	35.8
548.20837	3.7
549.21997	3.0
559.20270	6.5
593.22687	2.6
602.21442	3.3
611.24896	31.2
612.24829	3.3
615.21436	2.6
623.25146	3.1
650.23151	6.7
651.23749	14.6
652.25110	7.1
655.27692	4.1
664.24805	5.1
680.25653	7.5
681.26282	4.3
682.26660	3.0
684.27466	5.8
694.26892	2.8
696.27679	30.1
697.27954	4.1
712.28723	65.8
713.29071	11.1
737.27740	5.7
755.28528	4.0
773.29639	7.2
835.34674	3.7
842.31506	3.6
874.34045	15.6
875.32819	4.8
997.33209	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	997.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	3.2
70.36375	5.9
70.36711	2.1
78.58064	2.2
79.05487	6.2
81.03448	2.3
81.30835	2.4
85.02917	7.0
89.95340	2.7
91.05486	7.5
94.06566	5.5
95.04991	3.8
95.07366	2.9
96.08141	7.8
98.23313	2.7
103.05461	14.0
105.07025	29.5
108.08115	9.7
110.09679	14.5
111.04446	3.1
115.05473	7.2
118.04166	7.8
120.08126	12.2
122.06020	5.5
122.09659	3.2
124.07561	2.6
131.04953	7.6
133.06517	20.2
136.07570	12.3
137.05998	2.2
138.09128	21.4
147.04337	2.6
148.07611	7.7
150.09155	6.1
161.05974	27.6
166.08635	29.8
167.07024	10.7
175.03886	3.8
176.04639	4.1
191.07045	27.4
193.08643	7.7
207.06467	3.0
211.12123	2.4
223.12350	2.6
227.11871	2.5
231.06529	2.7
235.08791	2.6
237.10281	3.8
239.11845	5.6
247.08673	3.3
248.09515	2.5
249.10158	12.2
250.10970	7.2
251.11748	11.6
253.13164	2.9
261.10251	4.8
262.11032	5.6
263.11792	32.5
264.12509	7.6
265.09750	5.3
265.13275	7.5
267.11194	2.7
275.11789	2.2
276.12460	2.7
277.09723	11.1
277.13153	3.7
279.11276	18.1
280.11792	2.5
280.37097	2.6
281.12817	6.2
283.11072	2.7
289.09772	9.5
290.10574	3.0
291.11246	25.3
292.12015	8.7
293.12839	13.4
295.10785	6.9
297.12405	8.7
303.11435	3.0
305.13113	3.0
307.10776	11.4
308.11542	3.8
309.12286	14.5
318.09933	4.5
319.10767	5.1
321.12350	28.4
323.10382	3.3
323.13968	3.1
325.11908	7.4
335.10156	3.7
336.11105	17.2
337.11734	25.2
349.11847	26.0
355.12814	2.7
365.12427	3.2
368.14145	3.1
369.14365	34.8
370.14694	2.7
381.14255	10.3
382.16110	2.6
384.10751	2.6
395.14127	2.5
398.18964	2.6
411.13242	4.1
425.14877	4.4
427.17065	3.8
429.17929	4.8
444.19183	3.7
467.16055	2.7
472.18567	4.3
484.16873	3.8
487.18640	3.6
488.18137	6.9
489.18851	12.0
490.19867	18.9
499.18356	5.1
501.19211	2.8
502.19662	27.8
520.20587	4.0
522.22418	15.9
527.18250	7.3
532.21600	2.5
533.21021	2.6
534.22314	100.0
534.30438	5.3
535.22327	10.4
547.20782	33.1
548.20581	4.6
559.20837	8.2
593.23541	4.2
611.24988	36.3
612.24951	3.2
643.27075	4.6
650.23273	9.3
651.23688	13.6
652.24664	9.4
655.27533	3.9
664.25183	2.8
680.25922	4.8
682.26489	3.7
684.27185	4.3
694.27313	2.7
695.26306	3.5
696.27167	20.1
697.28699	3.1
698.26392	3.6
712.28522	64.0
713.28583	9.1
737.28082	3.7
755.28601	3.0
773.30396	4.9
835.35266	3.8
852.82184	2.7
874.34076	12.3
997.34058	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	1001.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95019	1.9
70.40432	0.4
71.01383	2.7
85.02955	1.5
89.02457	1.0
98.22428	0.6
99.04530	9.7
101.02433	0.9
101.48711	0.5
103.97775	0.4
105.03461	0.6
106.04198	0.4
107.05048	0.5
109.02966	1.5
113.02465	1.4
115.74767	0.4
117.03456	1.3
118.89465	0.5
121.02968	1.0
123.04510	0.7
125.02493	1.0
131.43564	0.5
132.02202	2.3
133.02974	31.0
134.03714	3.6
135.04541	40.9
136.04851	1.3
137.02451	2.2
147.04559	0.7
148.05284	0.9
149.02408	0.8
149.06110	2.2
151.03889	0.4
159.04510	1.4
160.01704	1.5
161.02461	100.0
162.02808	3.7
173.06215	0.6
175.03999	3.6
176.04828	1.0
177.01930	1.2
177.05557	6.7
178.02780	1.1
179.03513	30.3
180.03894	1.0
193.05048	0.7
194.05870	1.3
195.06517	0.6
203.03557	3.1
209.08253	1.4
220.03725	1.6
221.04578	9.2
251.05627	0.9
263.05566	2.5
280.05908	2.1
307.08713	0.5
323.07739	47.9
324.08160	3.9
329.58499	0.5
329.70343	0.5
458.39041	0.5
466.70648	0.5
485.13080	12.4
486.13004	0.9
515.15869	3.2
533.16699	19.8
533.24841	1.1
534.17133	1.7
576.59583	0.6
615.20850	50.9
616.21204	9.3
691.03046	0.5
695.21881	5.8
777.26221	66.1
778.26501	13.9
778.40247	0.9
941.41040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	18.9
72.99313	2.4
80.14524	2.3
85.02962	5.5
87.80238	2.4
89.02464	21.5
93.03487	8.0
100.09242	2.6
101.02472	9.5
109.03005	5.5
111.09494	2.3
113.02476	4.1
119.03560	3.2
121.02959	10.5
122.03745	17.8
123.00883	2.6
131.03535	6.0
133.02927	2.5
135.04550	2.6
136.01698	7.8
137.02452	34.2
149.02475	30.6
149.04594	10.8
149.06001	4.0
150.03239	87.0
151.00398	16.3
151.04042	22.0
162.03265	4.8
163.03999	2.9
163.06152	11.0
164.04849	6.1
165.01949	99.7
165.05591	80.4
166.02744	30.9
166.05962	4.9
177.05603	6.4
178.02757	2.6
179.03526	15.4
179.07202	10.1
180.04289	60.7
180.05832	4.9
181.05081	48.6
187.03964	2.6
193.05138	4.2
194.05852	4.6
195.06636	100.0
196.06996	5.2
196.33214	2.9
205.05090	6.8
207.06662	5.7
209.08247	7.7
210.05392	9.0
219.06580	3.0
220.07390	3.3
225.05673	3.8
225.07733	42.6
355.11719	3.1
357.30838	2.5
373.12973	4.0
387.10623	4.2
402.13394	3.6
403.13953	3.5
416.15125	2.5
417.15497	23.2
421.15186	5.3
428.80966	2.8
519.33502	12.1
530.10352	2.6
535.18390	5.0
561.34229	5.7
565.20813	20.5
583.21100	3.6
594.21259	3.8
595.22125	21.0
596.22528	4.5
613.22736	9.4
643.24432	6.8
743.27039	16.8
773.27881	5.6
791.29456	13.9
803.28589	3.5
821.30243	5.8
839.31659	17.6
840.31659	4.2
904.40839	3.1
1032.26514	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	1003.432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47121	7.3
71.01392	11.5
73.02966	2.8
80.82222	2.3
85.02959	12.7
89.02446	5.5
101.02455	3.1
105.88777	2.9
111.75484	2.7
113.02464	12.2
131.03517	8.3
143.03540	3.0
145.05077	5.6
149.04590	3.6
205.74052	2.5
233.06714	4.6
277.09323	7.5
319.10413	4.3
337.11331	18.6
409.13483	18.4
421.27585	6.1
423.28955	31.1
424.29446	5.7
441.30151	21.5
445.11224	34.5
451.14456	9.3
471.31195	55.6
472.31680	6.6
485.28772	2.7
487.12311	100.0
488.12503	6.0
622.40656	2.6
760.79517	3.0
769.96710	2.9
1003.42999	41.6
1004.42877	9.3
1011.09180	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	1003.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	26.7
72.01733	0.8
72.99310	1.7
73.02949	9.7
83.01389	2.7
85.02960	12.3
86.00111	1.4
87.00888	8.6
89.02455	17.8
95.01394	1.2
96.96037	1.3
98.22528	1.3
99.00900	1.9
101.02458	18.5
101.03126	1.2
103.04014	4.3
113.02469	10.4
115.04065	1.2
119.03508	6.9
119.16210	0.5
119.63341	0.5
121.06595	0.7
122.80884	0.6
125.02470	1.8
131.03520	8.6
143.03529	2.4
145.05168	0.6
147.35452	0.6
159.03004	1.4
160.07648	0.6
161.04593	10.1
163.05092	0.6
163.06163	3.5
165.02029	0.9
179.05585	3.1
180.04335	0.7
181.46393	0.7
220.00703	0.6
221.06665	10.8
245.15529	0.7
255.46368	0.7
287.15997	0.7
375.26950	0.7
377.28699	2.2
379.30154	2.7
391.30124	3.5
394.02130	0.6
405.28342	0.8
407.29901	0.8
423.29147	15.5
424.29706	1.9
439.28394	1.0
441.30472	2.0
453.30261	2.1
467.28204	8.2
468.28333	1.0
471.31329	3.5
485.29117	15.9
485.35651	1.1
486.29788	2.4
503.30374	0.7
515.30194	1.0
527.30304	0.8
533.31305	4.9
617.44934	0.7
790.02893	0.7
955.46417	1.7
1003.47668	100.0
1004.27014	1.4
1004.48016	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0246
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
52.16600	3.8
55.01887	50.5
57.03453	83.5
59.01386	63.2
68.99825	9.9
69.10809	19.9
69.11231	13.7
71.01390	61.8
72.99303	4.9
73.02956	81.6
83.01395	13.0
84.95082	4.3
99.92559	5.1
100.94626	100.0
100.95229	3.9
101.02457	81.8
101.06017	4.1
102.05634	36.8
111.15408	4.3
115.92084	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	101.0246
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01879	26.5
57.03449	20.4
59.01384	100.0
71.01385	74.8
71.25811	5.9
72.99306	13.2
73.02956	98.4
77.44236	5.2
83.01418	7.0
99.92531	6.3
100.92637	11.7
100.94627	7.1
101.02454	57.0
101.06119	9.1
102.02821	7.0
102.97272	6.3
115.92096	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	101.0246
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01883	21.0
57.03458	100.0
58.00580	4.4
59.01390	38.4
69.82595	9.2
71.01392	29.4
72.99297	4.5
73.02954	38.7
78.90313	2.2
82.83918	2.4
83.01398	7.2
84.04545	3.6
98.54019	2.8
99.18967	2.5
100.96044	3.5
101.02453	37.7
101.06085	6.5
102.05612	33.4
106.75050	2.3
115.92075	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	101.0245
Annotation	(S)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01885	45.0
57.03451	36.8
58.00596	9.4
59.01384	76.7
68.99830	7.4
71.01385	88.3
71.05036	8.0
71.24886	7.1
72.99307	7.9
73.02953	100.0
83.01389	11.6
87.00862	4.2
95.65112	4.0
99.00896	4.2
100.94643	11.5
101.02458	68.7
101.06103	14.7
101.92492	4.8
102.05633	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	1011.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	1.6
89.02434	1.0
92.31231	0.4
99.04531	100.0
100.04857	2.8
101.02443	1.2
113.02448	0.6
119.03499	0.6
125.02465	1.0
132.05792	0.4
148.24834	0.4
153.81415	0.4
161.02380	0.6
161.04625	2.0
194.56146	0.5
228.86353	0.5
261.09821	24.9
262.10196	1.2
444.17978	0.5
473.73907	0.5
859.17615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	33.3
71.01749	1.7
72.99314	3.0
73.02962	4.0
83.01414	2.6
83.01771	0.7
83.04993	0.6
85.02960	14.4
85.03434	0.6
86.00065	0.6
87.00875	3.4
89.02455	22.3
95.01337	2.4
97.02944	0.8
98.21810	1.2
99.00838	1.4
101.02454	19.0
103.03968	0.6
113.02471	14.0
119.03516	10.5
127.03947	1.1
131.03522	2.7
142.64250	0.5
143.03516	2.8
145.04991	1.7
145.72673	0.6
149.04501	0.7
151.11227	1.1
154.73575	0.5
159.02950	0.7
159.73041	0.5
161.04616	2.5
168.42596	0.5
175.11266	0.5
179.05667	2.8
205.07202	3.1
215.14349	1.5
217.15900	2.3
247.08124	0.9
285.03955	0.6
289.09256	1.7
375.26907	1.2
377.24512	0.7
377.28659	1.4
379.26349	1.5
391.26758	0.9
393.28091	2.1
395.29535	4.4
405.28030	1.0
409.27518	1.2
421.27725	1.2
423.29413	2.9
425.30688	10.5
426.31186	1.4
437.27109	4.0
439.28574	100.0
440.28989	13.1
443.31635	2.1
453.26630	2.3
457.29611	0.8
464.10104	0.6
497.32272	0.8
511.30261	0.6
525.28394	0.5
555.29712	9.4
556.29901	1.3
564.89673	0.6
575.36322	0.8
585.34418	0.9
587.35944	6.3
588.36536	1.3
605.37195	3.2
619.35071	1.6
620.35229	0.6
649.36206	3.9
650.36200	1.1
660.15790	0.7
693.34760	0.7
743.50061	0.6
761.37048	0.7
803.38647	8.4
804.38928	1.5
983.44928	13.6
984.45880	3.3
1013.46069	92.1
1014.46417	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.6
73.02944	0.7
81.03465	0.3
83.01337	0.2
83.05039	0.3
85.02959	7.3
87.00884	1.7
87.01353	0.3
88.04539	0.2
89.02443	0.7
93.03469	4.1
93.85178	0.1
94.02290	0.2
95.01408	0.2
99.04532	24.3
100.04874	0.5
101.02467	0.9
109.02975	1.0
111.04517	1.1
113.02451	0.5
117.03477	0.2
119.03491	0.5
119.05032	0.9
125.02504	0.2
126.86585	0.2
127.04025	1.9
133.01054	0.2
143.03517	0.3
145.02992	0.9
155.03554	0.3
159.11351	0.2
161.04558	0.8
163.04024	1.0
168.91373	0.2
171.02997	0.5
172.66270	0.2
173.04546	1.8
175.04037	0.2
178.06261	0.2
179.05649	0.3
191.05632	100.0
192.05971	3.2
211.09691	0.2
228.69864	0.3
261.09814	8.0
262.10202	0.4
291.28235	0.2
337.09329	19.2
338.09698	1.4
621.95203	0.2
629.23108	0.2
902.92554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	23.1
72.99329	3.9
73.02967	2.2
81.35346	1.5
83.01411	3.5
85.02956	10.8
87.00901	3.3
89.02462	17.8
94.83299	1.5
95.01450	1.6
98.21809	3.0
101.02463	14.8
113.02470	12.6
119.03529	6.3
131.03552	2.2
143.03534	3.8
179.05620	2.6
184.14575	1.7
188.19458	1.7
205.07188	3.1
273.11945	1.9
379.30371	2.6
391.30289	3.3
392.96179	1.7
409.31241	2.3
423.29117	21.2
467.28018	11.5
471.31207	10.5
485.29141	51.7
486.29675	4.8
508.64456	1.6
557.31036	8.6
558.30463	2.1
617.53015	1.8
633.36810	2.6
805.40601	2.0
985.47473	8.2
986.47174	3.2
1015.47644	100.0
1016.48297	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	26.1
72.99315	2.2
73.02953	9.3
75.00878	0.8
83.01404	2.5
85.02962	13.1
86.00111	1.1
87.00899	8.6
89.02454	16.8
94.62675	0.7
95.01434	2.6
98.22581	1.1
99.00904	1.8
101.02460	21.7
103.04050	3.0
111.00962	0.6
113.02464	9.9
115.04013	0.8
119.03512	6.0
125.02442	2.0
131.03513	7.9
140.99617	0.7
143.03531	1.7
159.03038	1.0
161.04584	10.5
163.06149	4.0
179.05638	4.1
191.05602	1.0
221.06674	10.9
228.74486	0.7
261.15097	0.7
395.29883	1.2
407.29736	0.9
423.29559	0.7
439.28732	7.8
440.29010	1.2
451.28799	1.7
457.29858	2.0
465.27066	0.7
469.30002	1.6
483.27545	16.2
484.28156	1.8
487.31018	2.3
501.28754	10.5
502.29205	1.8
531.29785	8.0
532.30865	0.7
549.30566	3.6
1019.47198	100.0
1020.47308	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	1019.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	75.8
72.99321	6.0
73.02953	17.9
83.01384	3.6
85.02960	22.2
87.00881	6.2
89.02455	87.3
97.02984	1.8
98.22522	3.2
99.00888	4.0
99.04507	1.4
101.02456	55.7
103.04021	15.4
113.02462	11.8
119.03513	13.1
125.02467	8.7
127.03966	2.4
130.53711	1.3
131.03522	35.3
132.03784	1.3
145.05087	6.0
149.04581	78.8
150.03133	1.5
163.06143	100.0
164.06461	2.7
179.05600	3.2
191.05641	17.3
205.07100	2.7
247.08226	6.3
247.82150	1.2
251.07669	5.4
275.07693	6.1
285.04053	5.3
293.08847	8.7
320.08484	1.2
355.12436	3.8
364.83994	1.3
375.27487	2.5
377.28366	1.9
379.29929	2.1
391.30066	9.5
407.29572	4.3
409.31055	1.6
435.29092	4.4
439.14508	11.9
453.30084	2.5
457.15900	6.3
457.33408	1.7
471.31305	1.6
473.32639	1.9
495.30865	2.8
501.32327	16.0
502.33035	1.9
519.33331	73.8
520.33728	9.7
533.34686	1.4
561.34418	53.2
562.34644	8.1
591.35443	3.4
605.37030	11.3
606.37421	1.8
651.37213	2.1
665.38739	2.1
693.38727	6.3
707.39929	3.8
829.54309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	34.9
72.99327	1.5
73.02956	9.2
75.00858	1.1
83.01392	6.0
85.02956	15.1
87.00877	2.8
89.02454	13.2
95.01384	2.9
97.02959	2.1
99.00895	3.2
101.02455	21.8
106.96030	0.9
109.57487	0.8
113.02459	19.2
113.03190	1.6
119.03503	4.8
125.02491	2.3
131.03531	3.5
138.05641	1.0
138.71175	0.8
143.03523	3.3
149.04626	1.0
159.02986	2.2
161.04588	18.2
179.05638	12.2
189.12886	3.1
221.06697	12.4
228.08360	0.9
263.07748	5.6
288.06192	1.0
296.42169	0.9
337.07779	2.3
369.19208	1.9
387.20270	4.9
429.21268	8.8
433.27838	0.9
531.24683	2.2
547.24091	1.8
549.25580	14.1
550.26080	1.5
591.26648	100.0
592.27002	15.2
800.44446	0.9
1022.33844	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	1025.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	28.6
72.99309	2.5
73.02960	6.9
83.01405	1.6
85.02966	8.2
86.00116	0.9
87.00903	4.9
89.02456	32.9
95.01421	1.8
97.02957	0.9
99.00917	1.1
101.02456	23.9
102.02761	0.8
102.72156	0.6
103.04037	7.0
113.02457	10.6
114.41026	0.8
119.03513	13.3
125.02483	2.6
127.04012	0.9
131.03519	5.1
143.03532	3.7
145.05080	1.7
161.04591	11.3
162.04996	0.8
163.06142	30.5
164.06454	0.7
179.05637	40.9
221.06671	16.3
251.20634	0.9
281.08746	0.8
285.03979	0.8
305.08786	3.3
323.09940	2.1
363.26968	0.9
375.27112	2.4
377.28659	2.3
379.30325	2.5
385.13574	3.4
389.16156	1.8
391.30188	9.0
407.29675	2.9
409.31299	2.2
423.29721	0.8
435.29089	0.9
457.33405	1.7
469.15778	5.3
470.16196	0.7
473.32962	1.9
487.16843	2.6
501.32181	5.0
502.32788	0.9
505.13470	5.7
519.33331	48.9
520.33502	6.2
533.12421	0.9
561.34296	8.9
562.35187	1.5
723.40356	1.7
835.94177	0.8
989.50336	1.2
1025.47388	100.0
1026.47607	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	52.8
71.28580	9.0
73.02945	25.5
83.01402	9.1
85.02962	90.7
87.00878	14.7
89.02446	30.1
99.04553	7.9
101.02469	53.3
113.02469	100.0
117.55402	7.4
127.04032	9.1
131.03532	66.7
143.03502	13.7
145.05061	24.0
149.04591	36.4
187.06151	8.0
191.05692	24.2
233.06735	13.2
235.08203	10.0
242.01141	7.8
277.09290	36.7
319.10275	19.5
337.11444	67.2
363.09335	10.5
364.10385	7.9
379.12537	11.5
402.74512	8.3
409.13361	11.1
423.28946	33.2
433.60449	8.1
441.30258	13.3
471.31122	61.1
967.35486	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	1027.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00987	2.5
71.01389	49.3
71.05032	2.0
72.88164	1.2
72.99271	2.8
73.02957	19.1
75.00874	4.5
81.03416	1.5
83.01402	7.0
85.02961	92.5
86.00095	1.2
86.03305	1.9
87.00896	11.0
87.04542	4.9
89.02459	33.6
92.24831	1.1
95.01398	1.5
97.02970	3.6
99.00909	4.6
99.04535	4.7
101.02453	43.2
109.02972	1.4
111.00868	1.5
111.04552	2.0
113.02464	100.0
114.02802	2.2
115.04030	5.3
119.03556	3.3
125.02464	4.1
127.04021	11.1
128.03546	1.1
131.03514	58.7
143.03493	17.3
145.05092	34.6
145.06273	1.4
149.04562	28.7
155.03575	2.2
169.05136	1.2
173.04620	6.1
187.06148	9.2
191.05643	15.8
205.07199	9.9
209.06633	2.7
217.07167	17.3
233.06694	15.8
235.08235	14.1
259.08197	5.8
259.88129	1.4
277.09308	44.5
278.09760	2.4
285.04114	2.5
295.10306	7.3
301.09213	1.5
319.10342	16.2
321.08310	4.4
337.11423	62.3
338.11862	2.5
361.11572	1.7
363.09433	7.6
379.12427	8.3
386.67926	1.4
391.12537	1.9
393.28091	4.0
395.29871	2.3
405.10327	3.9
407.25900	4.4
409.13638	8.4
421.13705	3.6
421.27539	7.5
423.29105	32.5
424.29504	4.4
435.11404	1.8
441.30118	17.4
442.30469	1.4
451.14621	5.5
469.29675	5.2
471.31183	66.7
472.31445	8.6
485.29077	4.0
509.28708	2.6
513.31885	1.5
543.32916	2.1
557.31311	2.7
690.57288	1.6
774.11426	1.4
925.44470	2.6
967.44409	1.6
995.08716	1.5
1051.74658	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	1031.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02955	0.2
81.03434	0.2
85.02945	0.3
89.02454	0.2
98.22144	0.3
99.04533	100.0
100.04862	1.9
101.02457	0.3
113.02464	0.4
119.03532	0.2
125.02482	0.8
131.05035	0.6
143.03519	0.5
145.02975	1.2
149.02443	1.3
151.03969	0.3
159.04535	0.6
161.02467	0.4
161.04590	1.3
163.04123	0.1
164.04823	2.5
173.02448	2.4
174.03235	0.6
176.04836	0.2
178.06406	0.2
179.05707	0.3
179.07143	1.8
186.03244	0.3
187.04028	5.8
188.04819	1.6
189.01805	0.1
189.05583	0.6
191.07169	0.2
200.04875	0.2
202.06378	4.7
203.06731	0.4
217.08713	3.1
233.13075	0.1
261.09811	11.2
262.10104	0.6
281.02478	0.1
281.08316	0.1
295.06256	0.4
305.04617	0.3
307.06061	0.3
310.08759	0.2
322.04904	0.2
323.05722	1.0
323.09039	0.2
337.07251	0.4
337.10825	0.3
338.07983	0.9
353.10352	4.9
354.10721	0.5
367.11749	1.1
368.12683	3.7
369.12997	0.4
383.15048	30.0
384.15366	3.0
384.20087	0.2
447.19568	0.2
483.20285	0.4
485.07574	0.1
545.20465	0.7
645.25391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
79.25587	0.6
85.02953	1.0
89.02462	0.8
98.22631	0.6
101.02464	0.9
109.02966	2.9
123.00889	1.2
124.46835	0.6
125.02501	0.8
136.01695	1.9
137.02460	28.7
138.03227	1.0
139.04030	1.2
147.00902	0.7
148.01707	0.6
149.02429	1.9
150.03252	1.7
151.00407	6.4
151.04045	2.6
152.01149	0.9
152.04765	0.8
153.01973	0.8
153.05591	0.9
161.02420	1.2
162.03191	0.8
163.06128	1.0
164.01184	2.8
164.04807	1.8
165.01947	100.0
165.05624	2.2
166.02737	15.6
167.03432	1.7
173.02275	0.6
175.04005	1.5
177.01930	2.3
177.05612	0.9
178.02663	0.7
179.03514	21.0
179.07149	1.5
180.04303	46.8
181.05084	39.9
181.06770	0.9
182.05446	1.4
187.04074	0.6
191.07053	0.8
192.04268	1.8
193.05038	1.6
194.05827	4.4
195.02994	2.5
195.06642	55.6
196.06989	2.3
205.05087	1.8
207.06664	2.5
209.08220	6.2
210.05345	7.7
211.06042	1.0
220.07436	0.9
223.06145	0.7
225.07701	38.1
226.08105	1.4
285.03879	0.7
359.11609	0.6
371.11206	0.8
387.10669	1.0
387.14963	0.9
403.13959	2.4
416.14752	1.3
417.15570	12.5
418.15955	0.7
451.16125	0.8
497.50925	0.7
501.32266	1.4
565.17932	2.0
579.18176	0.7
594.21014	4.6
595.21857	23.2
596.22284	3.5
625.23163	1.8
642.23395	1.8
643.23859	8.4
644.24512	0.8
697.25635	1.0
773.28284	8.1
774.29053	1.7
792.79224	0.6
803.29004	1.7
821.30463	8.2
822.30121	1.5
833.29456	0.8
851.31268	1.3
869.32385	9.3
870.31873	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	1032.503
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	4.7
73.02952	17.0
75.00851	1.3
77.98284	0.9
80.36693	1.1
83.01397	3.8
85.02962	19.4
86.00076	1.1
87.00889	11.1
89.02455	74.1
90.02793	1.7
95.01411	3.8
98.22530	2.4
99.00915	2.4
101.02457	50.0
103.04031	18.5
106.19850	0.9
107.03541	1.1
113.01654	1.1
113.02463	24.4
119.03523	37.6
125.02452	7.9
127.04005	2.1
129.34242	1.2
131.03514	10.1
139.03972	1.1
143.03514	9.1
145.05077	4.6
149.04546	2.4
151.60570	0.9
159.03008	1.5
161.04575	21.0
163.06140	82.6
164.06569	1.3
179.05630	100.0
180.05943	2.4
186.91821	1.0
221.04494	2.0
221.06679	39.7
221.08752	2.3
245.15533	1.2
247.08292	4.7
247.62831	1.2
268.14133	1.0
281.08850	4.5
285.03912	1.0
305.08759	8.3
323.09875	6.2
377.28311	1.6
379.30301	2.6
385.13583	6.8
389.28455	1.6
391.30173	9.9
407.29630	3.2
409.31415	1.9
435.29150	3.5
453.30334	3.8
457.33276	1.8
469.15527	7.7
473.32639	1.2
487.16687	7.3
495.30927	1.8
501.32278	15.2
502.32562	2.5
515.67725	1.0
519.33344	96.9
520.33734	13.6
561.34320	44.8
562.34778	6.3
591.34778	2.8
603.35620	1.2
605.37231	6.6
723.39758	5.3
885.69464	1.3
989.47290	1.6
1013.90887	1.3
1065.11377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50121	1.1
71.64217	1.1
72.99326	6.8
73.02952	15.2
83.01394	3.9
85.02955	19.8
87.00890	8.0
89.02454	75.4
90.02776	1.8
95.01407	4.7
97.02964	2.3
99.00919	2.8
101.02453	53.4
103.04019	16.0
107.03481	1.2
109.02960	1.2
113.02463	22.7
119.03510	35.4
120.74178	1.4
125.02474	8.3
127.04005	2.0
131.03549	8.2
137.02467	5.2
138.02760	1.4
143.03531	8.2
144.03815	1.0
145.05084	5.6
145.35008	1.1
149.04578	2.8
151.00362	1.4
161.04564	19.7
163.06142	89.3
164.06435	2.6
165.01935	17.1
166.02342	6.0
179.05630	100.0
180.04259	7.8
180.05862	2.3
181.05034	5.9
181.47997	1.1
182.05339	1.4
195.06657	8.1
196.07011	2.4
210.05357	2.5
221.06693	32.5
222.07303	1.2
225.07715	5.7
226.08011	2.6
227.08366	1.5
240.39455	1.1
247.08327	4.1
281.08722	2.9
305.08804	7.8
309.40720	1.0
323.09836	4.2
325.11111	1.2
385.13629	6.2
391.30316	2.2
405.89835	1.3
409.31067	2.7
417.15640	1.2
421.31006	1.7
441.33606	1.4
457.33481	1.3
469.15393	6.7
485.32675	4.5
487.16763	5.2
495.30695	1.3
503.33835	48.8
504.34225	7.2
545.34894	15.4
546.35095	3.0
596.22137	3.4
597.21942	1.9
625.23615	1.4
645.24536	1.5
707.39954	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	1035.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
80.59262	0.5
83.01392	0.6
84.31160	0.5
85.02973	1.3
87.00873	0.9
89.02431	0.8
89.03983	0.9
93.03454	1.3
95.01376	0.4
95.05007	1.1
99.00877	0.6
99.04533	24.4
101.02448	1.3
105.03456	2.8
106.04242	0.6
107.05029	1.0
107.56443	0.4
108.02171	0.9
109.02969	1.8
111.00904	0.8
113.02489	1.9
117.03432	2.4
119.05021	1.4
121.02971	3.3
122.03726	1.0
123.04523	1.2
125.02487	0.8
129.05260	0.4
131.05040	0.6
132.02206	5.0
133.02979	53.1
134.03798	14.3
135.04546	55.6
136.01669	0.5
136.04886	1.9
137.02452	10.2
139.04015	3.0
145.03036	2.3
146.03760	25.4
147.04611	2.8
148.05319	1.5
149.02429	2.6
149.06113	6.0
150.03249	7.2
151.04013	1.0
153.05545	0.4
159.03296	0.6
159.04536	3.6
160.01678	4.7
161.02467	100.0
161.06064	11.2
162.02875	3.8
163.04041	2.0
164.04810	15.9
165.01984	0.6
165.05574	4.8
171.04501	0.4
173.06000	0.5
174.03163	0.6
175.04001	4.3
176.04758	1.4
177.01923	5.5
177.05591	8.3
178.02742	8.0
179.01883	0.9
179.03535	39.8
179.07147	50.4
180.03923	2.2
180.07472	2.5
186.03214	0.6
187.04042	1.2
189.05594	1.4
191.03514	1.6
191.05238	0.4
191.07097	0.7
192.04251	2.5
193.05031	1.8
194.05885	3.3
195.06651	2.8
203.03517	3.9
203.07260	0.5
204.04280	0.5
205.05106	2.0
207.06737	2.6
209.08217	3.5
215.03535	1.9
217.08423	0.5
219.02954	0.5
219.06628	0.5
220.03772	1.6
221.04564	7.7
221.08086	0.6
233.04547	2.7
235.06099	1.1
245.04655	0.6
251.05585	1.1
263.05676	1.5
264.06335	0.6
265.07193	1.2
275.09726	0.5
280.05951	1.4
284.03336	0.9
285.04068	0.6
290.11713	1.7
296.47916	0.5
305.06647	0.6
307.08121	3.5
309.07794	1.1
313.10764	0.5
321.06174	1.5
322.06955	5.9
323.07751	47.1
324.08063	3.1
337.09396	0.6
339.08841	3.4
339.12619	0.6
344.04147	0.4
351.50421	0.5
377.08762	3.1
381.10046	0.5
421.11539	1.1
455.53693	0.5
471.13123	3.9
483.12994	3.7
484.13419	0.6
489.10483	0.9
490.15146	1.3
501.14069	6.6
502.14597	0.7
503.15857	1.8
515.15735	5.1
516.16370	0.5
519.15295	2.3
522.56744	0.5
530.14337	3.0
531.15094	1.7
532.15918	9.8
533.16663	27.5
534.17242	3.1
570.20776	2.1
575.18066	1.0
587.17767	7.6
588.18286	1.0
613.19348	0.5
614.20099	47.8
615.20831	42.8
616.21167	5.0
646.18707	0.7
669.21948	8.7
670.22034	1.4
677.20624	0.8
681.21881	2.9
682.21875	0.6
711.22809	9.6
712.23438	1.4
729.11005	0.7
729.24011	13.0
729.36115	0.9
730.24268	1.9
763.26581	3.4
793.27148	20.4
794.27252	4.1
811.28113	10.0
812.27948	2.3
987.63141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01733	0.7
72.73851	0.6
72.99317	5.1
73.02580	1.2
73.02958	16.5
79.01498	0.7
83.01414	2.3
85.02964	18.8
87.00895	3.2
89.02460	69.5
90.63066	0.6
97.02968	1.8
99.00911	1.4
101.02457	42.3
102.02807	1.0
103.04028	17.9
113.02474	6.1
119.03529	8.3
125.02489	5.1
126.02809	0.7
127.04050	2.1
131.03526	23.9
132.03961	0.7
143.03499	1.2
145.05080	5.1
149.04582	68.5
150.04938	1.5
161.02528	0.8
163.06149	100.0
164.06480	2.4
191.05659	10.0
205.07147	1.0
220.28322	0.6
241.96870	0.6
247.08269	7.3
251.07651	3.0
275.07764	5.1
293.08725	4.9
355.12448	2.2
439.14557	6.9
457.15793	2.9
468.72437	0.6
568.08124	0.7
663.19928	0.7
1065.97278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.253
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	1.2
107.01399	2.1
109.02930	0.7
121.03033	0.3
132.02158	0.4
133.02966	4.6
134.03717	0.8
149.02434	1.3
151.00388	4.9
167.19284	0.3
171.04524	0.3
175.04021	2.0
177.01889	0.3
187.03987	0.5
198.03250	0.5
199.04031	1.5
200.04657	0.6
201.01991	0.8
211.04103	0.9
213.05548	0.4
215.03484	0.5
217.05078	0.6
227.03510	1.2
239.03497	0.8
241.04892	0.7
243.03067	0.5
255.02939	1.0
256.03784	3.5
257.04416	0.6
283.02426	0.7
284.03296	57.1
285.04059	92.3
286.04413	7.0
309.04111	0.8
327.05072	0.9
429.08228	0.6
447.09378	29.2
448.09662	3.4
456.08353	0.3
518.86774	0.3
593.15192	100.0
594.15515	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	1041.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99320	2.9
73.02955	7.7
75.00900	1.0
75.07270	0.5
75.25816	0.6
83.01393	2.5
85.02961	12.8
86.00076	0.8
87.00885	4.9
89.02457	38.4
90.02814	1.0
95.01405	2.4
97.02982	0.8
99.00900	1.4
101.02455	30.5
103.04020	8.9
105.25532	0.6
113.02470	14.2
113.03267	0.7
119.03514	18.3
125.02460	3.3
127.04042	0.7
131.03522	8.0
143.03522	5.3
144.10403	0.5
145.05145	2.5
149.04588	2.4
149.54489	0.5
159.03023	1.2
161.04573	13.0
161.05881	0.9
163.06146	51.7
164.06514	1.1
173.23088	0.6
179.05627	63.6
180.06023	1.4
190.99004	0.6
209.82742	0.6
221.06688	22.6
247.08301	2.0
267.07266	1.0
281.08807	2.0
305.08771	5.2
323.09961	4.7
325.11380	0.7
361.25891	0.6
375.27203	0.8
379.26218	0.8
385.13727	6.1
391.26614	1.9
393.28235	2.1
395.29715	1.4
405.28452	0.6
407.29727	6.3
423.29373	1.9
425.30630	0.9
451.28912	0.8
469.15686	7.1
487.16791	4.8
489.32208	0.9
505.13177	5.4
507.39270	0.7
517.31787	2.2
535.32825	36.8
536.33020	3.5
835.53558	0.6
906.03241	0.6
1041.46936	100.0
1042.47241	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03462	0.5
83.01389	0.5
85.02957	0.9
87.00900	0.5
89.02473	0.7
91.01901	1.5
93.03464	1.0
96.81639	0.3
99.00873	0.4
99.04533	59.7
100.04884	1.5
101.02448	1.5
107.05049	0.3
113.02461	0.7
119.01395	3.6
121.02985	2.6
125.02472	5.5
133.02988	0.4
134.03767	1.0
135.04526	1.1
143.35197	0.3
147.00887	2.6
147.04466	0.6
149.02470	10.4
150.03181	0.6
151.04034	0.7
152.01184	0.8
161.02452	1.7
161.04529	0.5
162.03238	1.0
163.04048	2.2
164.04819	11.0
165.01967	1.2
166.02716	0.3
175.00385	20.8
176.00937	0.9
176.04831	1.0
177.01953	0.4
177.05530	0.7
179.03526	2.6
179.07126	3.6
180.03972	0.3
189.01927	0.8
190.02740	51.7
191.03233	2.8
191.07208	0.6
192.04308	0.6
193.01436	1.1
194.02254	0.4
194.05859	2.8
205.05077	61.8
206.05467	3.2
207.02982	0.7
207.06702	0.5
208.03822	2.2
209.04552	1.1
209.08208	3.9
221.08273	0.8
223.06145	14.9
224.06557	0.7
227.54082	0.3
232.03784	0.5
247.06087	1.0
249.76620	0.4
265.07117	1.5
347.56424	0.3
352.08014	1.7
353.08801	0.6
367.10361	61.0
368.10724	4.4
451.04352	0.3
509.16733	0.4
577.19312	24.4
578.19531	2.6
629.20886	1.0
659.23523	100.0
660.23828	16.4
685.21710	0.7
774.11450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.373
Annotation	Unknow
Peak:m/z	Relative Intensity
104.80405	0.9
119.05045	9.2
122.03696	1.3
129.03490	11.5
130.04263	3.1
134.03770	26.2
135.04501	3.6
145.02957	4.1
146.03763	22.2
147.04539	79.4
148.04880	3.4
149.04906	2.0
149.06108	36.3
150.03239	3.2
150.06525	1.7
161.06116	13.5
163.04044	24.1
164.04819	33.3
165.05589	100.0
166.05954	4.2
179.07156	65.9
180.07474	2.1
191.07118	1.3
195.06638	1.4
219.06635	12.0
237.07729	2.8
313.10834	38.6
314.11182	3.3
325.10822	6.4
327.10895	12.0
328.11209	1.0
343.11911	27.3
344.12360	2.0
361.12982	45.2
362.13251	4.3
428.00137	0.9
476.04568	0.9
506.55139	1.1
992.88281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.373
Annotation	Unknow
Peak:m/z	Relative Intensity
104.80405	0.9
119.05045	9.2
122.03696	1.3
129.03490	11.5
130.04263	3.1
134.03770	26.2
135.04501	3.6
145.02957	4.1
146.03763	22.2
147.04539	79.4
148.04880	3.4
149.04906	2.0
149.06108	36.3
150.03239	3.2
150.06525	1.7
161.06116	13.5
163.04044	24.1
164.04819	33.3
165.05589	100.0
166.05954	4.2
179.07156	65.9
180.07474	2.1
191.07118	1.3
195.06638	1.4
219.06635	12.0
237.07729	2.8
313.10834	38.6
314.11182	3.3
325.10822	6.4
327.10895	12.0
328.11209	1.0
343.11911	27.3
344.12360	2.0
361.12982	45.2
362.13251	4.3
428.00137	0.9
476.04568	0.9
506.55139	1.1
992.88281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1048.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99323	4.6
73.02955	11.8
74.33246	0.5
81.03471	0.8
83.01389	2.5
85.02959	17.3
86.00108	0.7
87.00900	5.8
89.02457	67.6
90.02796	0.7
95.01401	3.8
97.02982	1.7
98.21794	0.9
99.00896	1.9
101.02460	44.0
102.02823	1.0
103.04021	18.3
104.04360	0.5
104.48320	0.4
107.03517	0.9
109.02994	0.6
113.02467	19.0
115.03986	0.6
119.03521	28.6
120.03860	0.7
125.02458	6.4
127.04027	2.5
131.03505	6.2
143.03514	7.9
145.05106	5.1
149.04562	2.6
159.03032	0.6
161.04582	16.2
162.04817	0.5
163.06146	100.0
164.06468	2.9
179.05634	95.5
180.05910	2.3
191.05659	0.6
221.06688	21.0
222.07109	0.8
234.92372	0.5
247.08258	4.1
281.08868	2.3
305.08865	7.0
323.09930	4.7
325.11526	0.6
370.65125	0.5
385.13614	9.4
407.29681	0.4
465.40146	0.5
469.15613	6.2
470.16089	0.5
487.16721	3.4
488.17255	0.6
494.69315	0.7
533.15063	0.6
622.69891	0.5
690.11450	0.5
767.48553	0.5
873.10168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99293	0.6
73.02934	1.3
76.91752	0.6
83.01394	1.1
85.02962	3.4
87.00887	1.4
89.02438	4.2
93.03463	4.4
95.01412	0.9
97.02932	0.6
99.00863	0.8
99.04532	79.3
100.04905	1.5
101.02464	5.2
103.04028	0.9
105.03459	0.8
105.58499	0.6
107.05042	0.7
108.02224	0.8
109.02998	0.8
113.02488	4.3
117.03477	1.3
119.03523	1.9
119.05047	0.9
121.02187	0.9
121.02982	12.2
122.03776	8.3
123.04622	1.3
125.02462	4.5
132.02197	19.6
132.03198	1.1
133.03021	4.8
134.03761	40.6
135.04488	2.3
136.01669	1.6
137.02451	2.8
137.84807	0.7
139.04019	0.9
140.02602	0.6
143.03520	1.3
147.04539	4.0
148.05292	1.3
149.02460	18.2
149.06099	9.8
150.03249	51.0
151.00177	0.8
151.03816	1.9
154.02608	0.6
159.69933	0.6
160.01683	81.2
161.02345	4.1
161.04555	1.6
162.03229	1.3
163.06122	5.3
164.04756	3.3
165.01950	1.4
165.05595	45.4
166.05893	1.3
175.04022	100.0
176.04669	7.9
177.01926	1.8
177.05547	2.6
178.02719	5.4
179.03496	5.0
179.05634	6.1
180.04283	3.7
189.05728	0.7
191.05653	1.1
191.07179	8.2
192.04227	1.0
192.74045	0.7
193.05081	42.1
194.05768	5.3
195.06650	21.8
196.06937	0.7
202.02705	1.0
205.06689	1.2
206.02542	0.7
207.06662	1.4
209.08215	5.6
217.05045	2.3
218.50270	0.6
221.06236	2.0
233.06129	1.8
234.06874	1.5
235.06123	43.7
236.06459	1.4
238.06284	0.9
239.07147	3.3
250.06415	4.6
251.07082	1.0
253.08707	2.0
254.09494	1.3
259.05972	0.6
265.08740	0.9
267.06656	2.6
277.07162	1.5
282.08975	8.6
283.59802	0.6
285.73367	0.6
295.08249	3.9
295.11270	0.7
297.11374	1.6
322.06857	0.8
337.09329	98.8
338.09665	6.7
341.10315	29.9
342.10678	2.4
371.11520	2.6
383.11374	2.2
389.12421	9.5
401.72546	0.7
413.12476	0.8
428.24228	0.7
431.13538	13.9
432.13876	1.1
455.13440	1.6
473.14429	3.7
485.14560	13.5
486.14798	1.8
515.15308	0.9
533.16681	55.5
534.17035	8.0
547.18268	26.2
548.18549	3.2
629.22449	71.5
630.22888	11.2
743.25507	2.3
825.29724	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	1049.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99298	5.3
73.02956	16.8
76.10473	1.0
83.01411	3.2
85.02963	24.4
86.00126	1.2
87.00880	11.2
89.02455	76.1
94.29046	1.0
95.01405	4.6
97.02970	2.6
99.00897	2.5
101.02457	53.1
102.02776	1.2
103.04021	16.6
109.83029	1.0
113.02460	31.1
119.03513	34.3
125.02459	7.3
127.04037	2.4
131.03517	12.1
143.03529	9.5
145.05112	4.7
149.04591	2.1
152.81870	0.9
159.03018	2.3
161.04578	21.8
163.06140	83.2
164.06488	1.5
179.05634	100.0
180.05981	3.1
184.55315	1.1
199.37274	0.9
221.06682	38.0
222.07143	1.2
243.58875	1.1
247.08253	3.2
249.49205	0.9
272.15894	1.2
281.08942	2.1
305.08838	7.3
306.09509	1.1
323.09769	5.4
344.44461	1.3
358.01529	1.0
363.26651	1.1
375.27209	1.9
377.28665	2.0
379.30133	2.8
382.99170	1.0
385.13541	9.0
391.26270	1.1
391.30255	10.5
392.30652	1.2
407.29797	4.5
409.31079	2.3
423.29462	1.4
435.29083	2.6
453.30096	2.0
457.33237	3.5
469.15588	7.1
473.32681	1.8
487.16595	4.5
495.31305	1.1
501.32349	16.7
502.33051	1.7
513.32111	1.5
519.33325	97.1
520.33728	13.1
533.34827	1.9
561.34357	47.7
562.34869	7.6
591.35602	3.1
592.35065	1.4
605.37012	6.6
621.36267	1.1
665.38666	1.2
723.39532	3.8
724.39801	1.4
989.48749	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	1049.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	6.0
73.02953	12.8
81.03471	1.9
83.01378	5.3
85.02960	23.3
87.00887	8.9
87.90757	1.5
89.02454	74.2
95.01408	3.4
97.02962	2.4
99.04531	33.5
101.02452	47.1
103.04021	18.8
109.93259	1.6
113.02460	25.4
119.03512	33.8
121.02961	5.0
122.03751	4.7
125.02457	7.5
131.03499	7.7
132.02141	8.0
133.02911	2.3
134.03758	18.4
137.02423	2.5
143.03563	10.4
145.05075	5.5
147.04539	1.7
149.02475	8.2
149.04514	3.4
149.06058	4.1
150.03242	23.7
160.01663	37.3
160.02896	2.9
161.02332	1.7
161.04594	20.5
163.06139	100.0
164.04819	2.1
164.06340	1.9
165.05585	20.0
175.04021	45.4
176.04689	4.8
178.02654	3.0
179.05629	99.8
180.04317	3.5
180.05930	3.3
191.05638	2.6
191.07199	3.4
193.05058	18.9
194.05676	2.6
194.24103	1.6
195.06738	9.8
206.67366	1.6
209.08224	3.9
221.06702	26.3
233.26576	1.8
235.06110	18.7
247.08215	3.4
250.06317	2.0
251.17131	1.7
281.08655	2.8
282.08917	3.3
295.08420	2.3
305.08664	8.8
323.09875	4.7
337.09314	39.9
338.09637	3.6
341.10330	12.3
383.11292	2.4
385.13519	6.8
389.12512	4.0
431.13452	6.5
469.15396	6.7
485.14508	6.9
487.16995	3.5
503.33997	2.4
519.32880	3.8
533.16693	26.2
534.17383	3.4
547.17944	10.0
548.17841	2.2
629.22504	29.1
630.22931	8.4
695.36407	3.1
825.30048	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	1049.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
72.97432	1.6
72.99321	6.4
73.02956	16.6
83.01402	5.1
85.02962	22.7
87.00885	7.4
89.02456	76.7
95.01417	5.1
99.00911	2.5
99.04520	9.5
101.02455	49.9
103.04044	18.1
113.02470	26.3
119.03513	37.0
125.02489	6.2
127.04051	2.2
131.03523	7.3
132.02155	2.3
134.03795	2.9
143.03558	10.1
145.05109	5.1
149.04594	4.5
150.03261	5.4
154.99969	2.2
160.01665	9.7
161.04604	19.0
163.06148	95.1
164.06502	3.0
165.01929	2.2
165.05586	3.9
175.04024	10.0
178.02777	1.8
179.05637	100.0
180.04439	2.3
180.06003	4.0
186.88414	1.9
193.05072	5.7
195.06656	3.4
221.06686	26.0
235.06250	3.9
236.52580	1.8
247.08263	4.7
281.08844	3.0
305.08801	9.7
323.09790	5.4
337.09268	5.3
384.82806	2.3
385.13580	8.8
432.21539	1.9
469.15628	8.8
487.16541	6.2
499.14636	5.5
501.32623	2.2
519.33362	8.8
561.34149	5.8
629.22284	6.3
921.04492	2.7
1054.13733	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	1049.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	3.7
73.02959	11.4
85.02958	19.4
87.00890	7.0
89.02454	66.9
95.01427	3.4
99.00871	1.7
99.04543	2.5
101.02451	41.1
101.03118	2.1
103.04023	17.7
113.02468	19.4
113.92052	1.6
119.03519	30.5
125.02457	6.9
127.04059	1.9
131.03511	4.7
143.03485	8.0
145.05086	6.1
161.04573	16.3
163.06139	100.0
164.06538	2.7
179.05629	96.4
180.04440	2.3
180.05960	2.5
221.06677	19.3
247.08179	4.5
281.08966	2.5
305.08911	7.5
323.09894	3.9
385.13675	7.8
460.19125	1.7
469.15686	5.4
487.16528	2.8
733.24921	1.6
942.14282	2.0
973.60504	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	105.0196
Annotation	D-Glycerate
Peak:m/z	Relative Intensity
59.01382	20.0
66.01768	11.4
67.94689	9.1
70.08327	9.4
70.18516	33.7
72.82230	9.3
72.99324	86.6
75.00872	31.8
87.92566	25.2
92.26514	9.2
92.83748	10.2
104.92796	22.9
104.99449	9.9
105.01950	100.0
113.59536	11.3
123.94631	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	1051.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	2.6
83.01405	1.3
85.02974	4.2
87.00891	0.6
89.02452	3.5
95.01452	1.0
97.02985	0.6
98.22613	1.5
99.00907	1.3
101.02463	6.3
105.75655	0.4
107.01388	1.4
113.02466	3.3
117.03464	2.2
119.03533	0.9
120.18739	0.5
131.03575	0.5
143.03525	0.9
149.02470	1.1
151.00354	1.4
153.46939	0.5
159.04544	1.1
161.02423	0.8
161.04607	2.7
179.05772	0.8
183.04651	0.7
197.06128	1.0
201.05685	0.8
211.04013	1.0
225.05638	0.8
227.03372	0.7
239.03490	1.0
240.04356	1.4
255.03076	1.7
268.00916	0.8
268.03790	20.9
269.04578	100.0
270.04874	6.7
273.02374	0.5
283.02502	1.1
284.03293	2.7
285.04056	4.4
302.25052	0.5
325.03571	0.6
369.19315	1.2
387.20270	7.3
405.87402	0.5
413.09048	0.6
429.21371	11.2
430.21964	0.9
487.09161	0.7
489.10425	5.4
490.10950	1.1
546.34094	0.6
577.15680	72.4
578.16077	9.9
608.00092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	53.1
73.27900	0.8
83.01401	20.8
84.01708	1.2
85.02962	10.1
87.00893	1.6
89.02457	15.6
95.01395	3.1
97.02975	2.0
99.00875	1.0
101.02456	65.8
113.02470	29.9
119.03508	9.1
123.08182	2.6
125.02454	3.6
131.03519	8.2
134.03754	1.5
143.03519	8.0
149.04587	13.7
155.03462	1.7
161.04582	27.1
167.10802	7.7
179.05611	1.6
191.05690	0.8
203.05597	3.0
221.06686	8.8
269.10364	1.3
307.80719	0.9
357.56528	1.1
363.10370	1.0
387.20306	6.9
401.14478	6.8
405.21341	7.0
447.22394	100.0
448.22821	7.2
491.21283	2.1
563.19879	28.1
564.20117	3.9
803.03656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
74.71311	0.1
83.01395	0.3
101.02432	0.2
105.03485	0.3
107.01414	1.4
107.36598	0.2
109.02979	0.8
120.73912	0.2
121.02943	0.5
133.02972	4.4
134.03717	0.2
147.04532	0.2
149.02461	1.3
151.00398	3.6
165.05551	0.4
171.04541	0.3
175.04034	1.7
177.01945	0.5
183.04576	0.3
185.06075	0.5
187.03999	0.3
197.06119	0.3
198.03191	0.2
199.03996	1.7
200.04471	0.2
201.01961	0.7
211.03983	0.4
212.04692	0.3
213.05534	0.6
215.03568	0.4
217.05049	0.9
224.04739	0.2
227.03583	0.5
228.04346	0.2
229.05080	0.3
232.45050	0.2
239.03372	0.2
241.05136	0.6
243.03023	0.7
256.03802	1.0
257.04575	0.4
267.03052	0.5
283.02628	0.3
284.03290	14.1
285.04068	100.0
286.04437	6.8
286.07654	0.3
297.04221	0.2
327.05255	0.3
361.16611	1.7
375.88348	0.2
429.08469	0.3
439.16211	0.2
447.09390	14.6
448.09796	1.3
609.14648	48.1
610.14996	6.4
882.68042	0.2
1005.31195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	0.6
75.46346	0.5
79.24838	0.5
79.76903	0.5
83.01402	1.2
85.02963	7.5
87.00901	1.2
89.02459	13.4
95.01396	1.4
99.00919	1.0
101.02456	11.9
109.47677	0.5
113.02470	9.4
119.03525	4.6
125.02499	0.6
125.23608	0.5
131.03517	3.8
133.06714	0.5
141.22815	0.5
143.03523	1.5
145.05109	1.3
161.04562	2.0
163.06129	2.9
179.05698	3.3
205.07246	1.3
212.00475	0.6
247.08333	1.5
379.26199	0.7
389.28680	0.9
391.26437	2.1
393.28152	1.6
395.29544	1.5
405.28162	2.1
407.29565	9.6
408.30237	0.8
421.27734	0.7
423.29175	3.6
425.30630	6.2
426.31396	0.8
473.32782	15.9
474.33514	1.3
541.31494	0.6
561.32312	0.5
587.36182	1.1
589.33984	1.8
617.36847	4.5
635.38068	100.0
636.38434	13.9
639.08704	0.6
647.37982	0.7
649.35938	1.4
677.38818	8.7
678.38995	1.1
689.38892	0.6
707.40649	0.7
721.38092	1.5
733.38379	0.9
734.39581	0.5
751.39240	13.7
752.39349	2.2
867.43726	0.6
905.50696	0.7
909.45038	0.7
999.48016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
74.95194	1.0
75.00883	3.7
81.14085	1.1
83.01380	5.1
83.05076	1.1
85.02960	47.7
86.00096	2.2
86.03268	1.2
87.00886	11.5
87.04530	4.1
89.02449	24.1
92.95553	1.1
95.01412	2.1
97.02979	4.4
99.00893	7.7
99.04556	3.2
101.02455	19.1
102.34443	1.2
105.31794	1.1
106.73278	1.0
113.02461	47.2
115.04015	6.4
121.06576	1.1
125.02461	5.1
127.04048	3.0
129.01978	1.6
131.03522	50.2
137.02563	1.2
143.03522	17.8
145.05070	7.3
149.04567	7.4
167.03514	1.1
173.04666	3.2
191.05586	1.6
205.07195	8.6
263.07751	9.8
281.08881	8.8
285.04126	1.6
320.82617	1.1
323.10110	4.4
330.58255	1.3
337.11469	18.6
347.09879	6.3
349.11575	1.5
361.25491	1.9
363.27271	2.7
365.11008	1.2
367.12619	4.7
375.26910	9.2
377.28473	7.7
379.30084	8.8
387.27856	1.1
389.28717	2.9
391.30139	38.6
392.30380	5.9
407.29688	9.6
408.29831	1.2
409.13541	14.1
409.31625	5.4
423.28827	1.1
427.14456	5.4
427.32483	1.7
453.30215	1.2
457.33350	4.3
469.15680	100.0
470.15942	7.4
473.32965	3.5
501.32513	1.5
519.33337	87.4
520.33856	10.7
523.16583	1.2
541.17847	23.2
542.18604	2.1
559.19250	2.8
591.36029	1.4
971.48737	12.7
972.48834	2.7
1017.52649	1.6
1043.51306	3.2
1061.51892	90.6
1062.52258	24.2
1068.02271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.389
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00896	0.3
81.03500	0.6
81.52570	0.2
83.01389	1.6
83.05054	0.4
85.02959	6.5
87.00893	1.4
89.02455	8.8
93.03497	0.4
95.01396	1.6
95.05049	0.3
97.02968	1.4
99.00895	5.8
99.04532	20.9
100.04848	0.4
101.02458	6.5
107.05039	0.3
109.02993	0.6
109.06613	0.4
111.04464	0.3
113.02465	8.1
118.68389	0.2
119.03514	4.4
119.08675	1.3
121.06621	0.6
123.04539	0.3
125.02473	2.9
131.03532	0.4
133.10265	0.7
135.08212	1.1
135.11780	0.4
137.02499	0.8
137.09740	6.0
137.10707	0.4
141.05589	0.5
143.03535	2.6
149.04622	0.4
149.09779	0.4
151.04094	0.2
161.02509	1.2
161.04562	2.2
161.09709	2.2
162.03264	1.2
163.07675	2.8
176.04768	0.4
177.05611	1.7
179.03632	1.5
179.05640	3.8
179.07214	0.3
179.10788	4.5
181.08723	8.0
182.09146	0.3
190.41434	0.2
190.49965	0.2
191.05629	0.3
194.05843	1.5
195.06648	0.4
197.11861	8.7
205.08659	0.3
209.08163	1.6
218.08084	0.3
221.11932	0.3
223.09804	4.1
233.11975	0.2
241.10835	13.4
242.11261	0.6
246.15430	0.2
265.10846	0.3
277.10837	0.6
283.11984	1.3
295.11993	0.5
323.09845	2.6
325.13104	0.7
349.12952	0.3
367.13943	2.0
385.15067	0.3
430.06549	0.3
431.85410	0.3
487.18103	1.4
502.16681	0.3
529.19531	0.8
547.20355	11.4
548.20892	1.1
572.13379	0.3
600.05530	0.2
757.29352	6.3
758.29279	0.7
821.32507	1.1
839.33514	100.0
840.33783	19.6
883.32257	0.5
1063.39307	1.2
1064.39697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00882	8.8
81.03472	0.8
83.01398	24.9
84.00433	0.7
85.02966	2.2
85.41803	0.8
87.00898	1.1
89.02450	2.8
97.06600	3.6
98.22526	2.4
99.00898	1.7
99.04532	100.0
100.04854	2.2
101.02457	15.0
109.06615	1.4
113.02455	4.7
119.03494	1.1
125.02472	4.0
135.03011	10.0
136.12904	0.7
136.79289	0.7
143.03516	5.9
151.04054	1.3
161.02496	2.1
161.04550	1.3
162.03261	3.4
165.12859	2.0
167.10789	7.9
176.04860	1.5
177.05513	4.8
177.66312	0.7
179.03487	4.7
179.05643	1.2
191.10715	0.8
194.05853	4.1
195.06531	0.8
203.05574	1.5
207.13963	4.9
209.08234	4.5
209.11836	8.9
213.72589	0.8
223.13420	2.0
223.27710	0.8
225.14998	11.2
227.12918	43.8
228.13258	3.1
228.94429	1.0
233.11832	3.9
243.31981	0.9
251.12906	6.1
257.97525	0.9
269.13980	17.8
270.14441	1.0
275.12839	1.2
285.04080	2.1
287.15039	46.4
288.15366	2.7
293.13971	2.2
311.15054	2.9
312.15677	0.9
323.09848	3.1
329.16150	6.5
341.16064	1.0
345.15622	0.9
353.16205	1.9
359.17169	2.9
371.17044	6.2
387.16602	1.4
405.17975	2.3
413.18323	1.6
431.19238	34.8
432.19443	2.3
447.09485	2.3
453.05542	0.8
531.24664	2.1
549.21973	6.5
593.14227	1.0
641.28278	6.4
705.31061	1.9
723.32404	81.5
724.32849	14.6
759.31079	6.5
760.30847	1.3
841.35095	50.1
842.35541	10.7
867.11487	0.8
885.34009	7.0
886.33691	1.5
925.37329	0.8
947.37988	1.4
1065.18677	1.5
1065.40430	24.2
1066.40723	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	1065.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
73.99619	0.8
75.00883	0.8
75.91405	0.7
83.01408	3.1
83.01857	0.7
85.02956	20.7
87.00878	6.8
89.02456	68.1
90.02825	0.8
95.01410	2.7
97.02994	1.8
101.02455	46.8
102.02798	1.0
103.04016	19.1
103.04678	1.4
103.53387	0.7
107.03552	1.1
109.20036	0.9
113.02458	18.5
116.44396	0.8
119.02678	1.8
119.03518	30.4
125.02448	4.8
127.04050	2.3
131.03519	7.1
143.03517	8.2
145.05081	4.5
149.04588	2.7
159.03040	1.4
161.04568	19.5
163.06142	95.2
164.06470	3.1
179.05629	100.0
180.06036	2.1
214.26646	0.8
221.06685	21.5
221.08737	1.6
247.08203	4.6
262.02225	0.8
271.89868	0.8
281.08817	3.6
305.08792	8.2
323.09860	5.9
336.96994	0.8
362.56079	0.9
385.13568	8.2
469.15613	8.0
471.47052	0.7
487.10544	0.9
487.16464	3.9
535.32892	1.2
641.23755	1.1
907.22125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	0.8
85.02956	0.9
89.02445	1.5
101.02409	0.8
102.31569	0.5
107.01395	1.4
113.02506	0.8
119.03529	0.7
125.02464	0.8
133.02969	3.3
149.02354	1.0
151.00359	3.2
151.51180	0.5
175.04045	1.7
183.04533	0.6
199.04019	1.7
215.03647	0.5
217.05093	0.7
256.03729	1.1
267.03384	0.6
269.04568	2.3
284.03287	13.8
285.04080	100.0
286.04437	5.9
327.05154	0.7
429.21115	0.8
485.37668	0.6
568.52026	0.6
593.15198	85.2
594.15521	10.2
647.55811	0.7
657.67841	0.6
720.53522	0.6
882.79932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
74.23231	0.5
76.42362	0.5
83.01388	0.6
85.02944	0.8
89.02454	1.5
99.42394	0.6
101.02440	1.5
107.01382	1.2
111.02939	0.5
111.42994	0.5
113.02484	1.1
118.14326	0.5
119.03499	1.1
121.02908	0.9
132.29710	0.6
133.02975	4.2
141.39244	0.6
149.02483	1.2
151.00395	3.0
175.04024	1.5
179.03748	0.7
179.05569	0.6
191.05652	0.7
199.04002	2.1
201.02046	0.6
215.03450	0.7
217.05008	0.8
236.65257	0.6
239.03688	0.6
241.05090	0.7
255.02951	0.8
256.03696	0.9
258.59448	0.6
269.04657	2.6
283.02533	0.7
284.03323	13.2
285.04074	100.0
286.04395	6.9
305.31931	0.5
387.20340	1.2
429.21423	2.1
578.70361	0.6
593.15192	79.9
594.15350	10.5
682.91034	0.6
716.73358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00906	1.5
83.01401	1.8
85.02961	10.0
87.00890	4.1
88.00928	0.9
88.61160	0.8
89.02454	5.8
95.01420	2.7
97.02978	0.9
99.00879	7.3
101.02456	8.9
111.00929	1.9
113.02484	9.3
113.99598	15.1
115.00386	5.6
119.03542	2.8
125.02468	2.1
127.00429	1.6
129.01964	2.2
131.03525	2.1
139.00476	0.9
141.02061	0.9
154.94658	0.9
157.01485	3.6
161.04529	4.0
167.14461	7.8
179.05687	1.2
211.13351	5.4
217.07748	0.9
221.06763	3.3
221.24992	0.8
229.14517	5.9
254.17653	1.5
265.21661	0.9
272.18625	8.4
274.25967	0.9
277.05655	23.0
277.08527	1.3
278.06125	1.0
319.06665	0.9
410.29749	0.8
434.23840	4.0
578.28223	1.5
596.29382	4.2
748.29071	0.6
748.41357	17.5
749.42542	1.9
905.40381	1.1
959.01447	1.0
1068.48755	100.0
1069.49231	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	1.8
76.83778	1.3
78.49663	1.4
83.01397	1.9
85.02950	8.9
87.00889	3.0
89.02446	6.8
89.37497	1.2
94.63611	1.3
95.01395	3.2
97.02978	1.3
99.00893	6.4
101.02449	10.6
111.00916	2.3
113.02462	10.9
113.99590	16.9
115.00379	5.7
119.03531	2.9
119.64459	1.6
119.66575	1.3
125.02468	1.6
127.00387	2.4
129.01936	1.7
133.21844	1.3
139.00406	1.3
143.03494	2.1
157.01457	2.9
158.11844	1.5
161.04585	4.0
167.14452	4.3
180.95020	1.4
182.85144	1.4
211.13451	3.8
229.14482	5.7
265.18137	2.7
272.18704	2.3
277.05698	25.1
278.06134	1.8
285.03876	1.8
339.09744	1.5
395.54514	1.2
510.03064	1.4
521.59711	1.5
613.53925	1.6
650.33905	2.4
748.41394	17.9
748.54114	2.1
749.41382	3.1
971.98517	1.6
1068.48853	100.0
1069.49255	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	1069.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	7.5
83.30143	1.9
85.02966	22.3
87.00876	5.1
89.02449	57.5
95.01407	3.3
99.00902	3.2
101.02448	47.1
113.02460	34.4
116.04224	1.6
119.03505	32.3
121.03182	1.5
125.02525	1.9
131.03482	3.8
135.04573	2.2
143.03519	7.4
149.04610	2.4
151.00443	2.1
161.04547	14.2
173.09697	2.7
177.05573	1.7
179.05638	28.8
189.12894	15.6
207.13885	3.6
227.59163	1.7
272.65622	1.6
272.69043	1.8
279.50275	1.7
285.04041	11.2
286.04419	6.9
287.04984	4.1
369.19189	10.5
373.12686	2.5
379.72336	1.8
387.20288	24.9
415.23508	5.8
429.21323	42.6
430.21658	5.6
433.15118	3.1
433.24582	8.3
532.17621	1.9
593.15497	3.0
594.15314	6.5
595.15723	6.0
595.19977	4.5
595.29730	100.0
596.29944	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	1069.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	7.5
83.30143	1.9
85.02966	22.3
87.00876	5.1
89.02449	57.5
95.01407	3.3
99.00902	3.2
101.02448	47.1
113.02460	34.4
116.04224	1.6
119.03505	32.3
121.03182	1.5
125.02525	1.9
131.03482	3.8
135.04573	2.2
143.03519	7.4
149.04610	2.4
151.00443	2.1
161.04547	14.2
173.09697	2.7
177.05573	1.7
179.05638	28.8
189.12894	15.6
207.13885	3.6
227.59163	1.7
272.65622	1.6
272.69043	1.8
279.50275	1.7
285.04041	11.2
286.04419	6.9
287.04984	4.1
369.19189	10.5
373.12686	2.5
379.72336	1.8
387.20288	24.9
415.23508	5.8
429.21323	42.6
430.21658	5.6
433.15118	3.1
433.24582	8.3
532.17621	1.9
593.15497	3.0
594.15314	6.5
595.15723	6.0
595.19977	4.5
595.29730	100.0
596.29944	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	1071.43
Annotation	Unknow
Peak:m/z	Relative Intensity
74.68903	0.9
75.00889	6.2
83.01397	11.3
85.02940	5.6
87.00900	1.7
89.01991	1.3
89.02451	5.5
91.71139	0.7
92.70144	0.9
95.01458	0.9
96.96011	5.4
97.02991	1.0
98.21739	1.9
99.00923	2.1
99.04517	1.9
101.02459	12.2
113.02474	5.2
121.03011	2.6
125.02454	1.6
134.03769	0.8
135.03014	13.4
135.04562	1.3
147.04561	1.2
150.03328	1.0
151.52206	0.9
159.04604	1.7
159.69940	0.7
161.04593	1.2
165.01990	1.3
165.05568	1.2
167.10864	3.3
177.04182	1.5
179.05617	1.4
189.05566	1.4
191.05673	3.0
195.06754	1.1
207.13998	2.6
207.48247	0.9
209.11818	6.1
220.57787	0.8
225.14919	4.7
227.12901	35.4
228.13287	1.8
233.11877	1.8
251.12894	1.7
255.06770	1.3
267.06830	1.0
268.07455	1.3
269.08310	3.3
269.13971	6.8
270.08917	1.3
275.07178	0.8
280.07663	0.9
281.08182	4.0
282.09158	2.1
282.91895	0.9
283.09912	2.6
285.04129	4.6
287.15002	11.4
287.17633	0.9
295.09845	1.6
296.10672	0.9
299.09464	1.6
314.08212	1.6
314.11441	3.8
315.12555	2.6
326.11652	6.9
327.12405	5.0
329.13861	7.4
341.13974	6.0
355.12039	3.5
385.14929	1.3
413.18173	1.2
431.19479	5.7
447.09140	1.4
476.16855	6.6
477.17825	2.8
488.17130	4.3
489.18585	0.9
491.19296	32.3
492.19562	4.7
503.19232	18.8
504.20029	2.6
521.20532	4.9
533.21130	1.0
731.98163	1.0
935.39526	7.1
953.40295	100.0
954.40540	23.4
1039.36377	1.1
1071.42871	51.7
1072.43103	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	1073.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00705	4.2
75.01166	1.4
83.01202	5.5
83.01745	1.5
85.02762	3.3
86.30569	0.7
87.00744	1.1
89.02280	2.5
93.03342	1.0
95.01241	1.3
95.01784	1.1
97.02798	1.0
97.06413	1.4
99.00756	1.6
99.04331	2.3
101.02246	7.3
101.02950	1.3
109.02740	3.1
113.02225	4.0
119.03352	1.0
121.02729	7.5
121.03657	1.1
122.03511	6.5
123.04382	0.9
124.01480	1.2
125.02254	1.2
135.02757	8.8
135.03877	1.6
135.04393	2.3
137.02307	1.3
143.03235	0.7
147.04259	5.2
148.05026	0.8
149.05978	0.7
150.03004	0.8
153.01753	1.0
154.02507	1.7
161.05782	2.0
161.07011	0.8
163.07324	0.9
165.05289	18.5
165.06789	1.4
165.12608	1.4
166.05775	0.8
167.10603	1.7
168.95792	0.7
175.07510	1.0
179.06845	5.3
191.05415	1.4
191.06981	1.6
207.13753	1.4
209.07916	0.8
209.11821	4.1
225.14984	4.2
227.12904	26.0
228.12973	1.2
233.11569	1.3
251.12595	1.8
269.13602	3.0
285.03848	1.8
287.15088	5.5
313.14191	1.9
315.12094	2.2
328.12817	2.0
329.13565	1.4
343.15402	3.7
346.14236	6.2
347.14975	3.8
361.16586	54.7
362.17050	5.2
393.96808	0.9
431.19116	2.7
505.20508	2.9
509.20493	4.0
523.21893	39.2
524.22369	4.7
565.22687	2.0
659.60266	0.8
937.40967	8.8
938.41168	1.6
955.41876	100.0
956.42230	19.5
991.26642	0.9
1073.44629	49.1
1074.44897	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	108.0214
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
58.56205	2.6
64.61386	3.0
65.03951	3.0
66.03497	5.6
67.03009	4.3
71.25066	5.1
74.82417	2.8
80.05056	9.9
81.03452	6.5
107.03757	5.7
108.02189	75.0
108.03828	6.9
108.04564	98.2
109.02256	6.7
109.02973	100.0
109.04062	14.0
109.04860	3.8
120.17112	2.9
120.82040	3.1
126.01488	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	1083.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	0.5
83.17739	0.3
83.80704	0.3
91.30917	0.4
100.50841	0.5
107.01420	1.5
109.02951	0.7
121.02940	0.7
128.72806	0.3
133.02974	3.9
143.55786	0.3
149.02428	1.3
151.00378	2.8
168.17764	0.3
175.04005	2.1
185.06062	0.5
199.04037	1.9
201.01973	0.6
211.04053	0.6
213.05647	0.4
215.03514	0.4
217.05106	0.8
227.03568	0.4
241.05109	0.8
243.03127	0.4
255.03001	0.6
256.03870	0.8
257.04495	0.4
284.03296	9.2
285.04074	100.0
286.04419	7.8
299.05676	0.4
318.39252	0.3
327.05026	0.5
429.08298	0.5
446.82159	0.3
447.09290	1.4
553.47412	0.3
609.14667	69.9
610.14984	8.3
1039.48767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	4.2
85.02964	17.2
87.00888	2.1
87.04543	3.4
89.02441	5.1
95.01410	4.3
97.13815	1.1
99.00877	4.8
101.02454	17.6
113.02460	22.8
119.03533	3.0
138.13600	1.0
143.03497	1.6
159.03046	1.7
161.04601	10.3
165.01892	0.9
179.05640	2.2
195.06630	1.1
202.72990	1.1
245.62129	0.9
255.19868	1.3
285.03967	1.2
399.23898	100.0
400.24213	8.3
417.25012	22.3
418.25388	2.2
459.26041	39.7
460.26385	5.8
579.30231	40.3
580.30493	4.5
720.13263	1.1
1084.48352	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	1084.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00884	1.2
83.01402	2.2
84.64149	0.4
85.02958	7.5
87.00888	3.6
89.02462	6.6
95.01397	2.1
97.02981	1.5
99.00891	5.6
101.02451	9.5
111.00919	2.0
113.02464	8.5
113.03181	0.7
113.85480	0.4
113.99603	11.8
115.00381	4.7
119.03519	2.7
125.02483	1.5
127.00402	2.6
129.01974	1.7
131.03563	1.5
132.18748	0.5
139.00406	0.9
141.01952	0.9
141.70616	0.4
143.03557	1.2
148.05400	0.8
149.02505	0.4
157.01463	2.5
161.04547	2.3
163.07745	0.7
165.05806	0.5
167.14427	6.4
168.14917	0.4
169.01520	1.1
179.05666	1.7
181.05159	0.5
210.15137	0.4
211.13408	6.9
221.06702	3.2
229.14468	5.8
252.59943	0.4
254.17564	1.9
271.24234	0.5
272.18695	8.4
273.19278	0.5
277.05670	20.1
278.06146	0.9
281.21344	2.1
284.03189	0.6
285.04062	3.0
319.06607	1.1
325.20374	0.7
337.07828	2.1
416.23148	1.7
417.11960	0.4
434.23978	5.1
435.24719	0.5
531.55286	0.4
578.28497	0.6
596.29224	5.2
597.30194	0.7
746.39191	0.5
764.40759	13.4
764.54364	0.8
765.40997	2.0
861.28790	0.5
921.41937	0.6
922.41919	0.7
969.59204	0.5
1084.48218	100.0
1085.48718	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
79.37153	0.3
79.41734	0.2
83.01297	2.0
84.02087	0.5
85.02862	16.8
85.03425	1.3
86.00005	0.8
86.55719	0.3
87.00784	5.9
87.04421	2.3
89.02354	14.0
89.02958	1.1
95.01291	1.1
96.95876	0.4
97.02964	1.4
99.00797	1.0
99.04418	1.5
101.02455	13.9
101.03050	0.7
101.03419	0.5
112.43745	0.3
113.02467	14.1
113.03186	0.8
114.54440	0.3
115.04032	2.9
119.03516	4.1
121.06522	0.4
125.02328	1.4
127.03906	0.9
129.01891	0.3
131.03523	13.2
135.08101	0.3
143.03517	6.1
145.05099	8.7
145.06139	0.4
148.03423	0.3
149.04593	3.7
159.02859	0.4
161.04498	0.4
179.05492	1.2
191.05457	1.0
205.07207	4.8
212.63632	0.4
215.05521	0.3
217.07033	1.1
235.08205	0.4
245.15515	0.5
277.09311	3.7
295.10342	2.7
337.11438	27.9
338.11581	1.4
363.26996	0.9
373.25018	0.4
375.26923	1.7
377.28723	1.5
379.30142	1.9
380.30402	0.4
387.71039	0.3
391.30118	9.7
392.30338	1.0
407.29645	2.2
409.13666	3.2
409.31412	2.6
410.31168	0.5
423.29318	0.4
425.30640	0.4
427.32043	0.9
435.29327	0.5
453.30414	1.4
457.33243	4.8
458.33746	0.5
471.31201	4.5
472.31479	0.4
501.32382	2.3
519.33295	2.5
619.38800	0.5
627.20868	0.3
635.38184	1.3
663.37463	6.7
664.37811	1.0
681.38617	100.0
682.38934	15.3
723.39447	1.7
724.40582	0.4
753.40662	1.9
777.95178	0.4
855.43768	0.4
1001.49927	1.8
1091.52893	38.1
1092.53174	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	1099.498
Annotation	Unknow
Peak:m/z	Relative Intensity
84.00325	0.8
85.02963	8.7
87.00870	1.4
89.02444	4.4
97.03075	0.7
98.21765	1.4
99.00904	1.4
101.02467	2.1
106.97203	0.8
113.02495	5.9
131.03554	4.8
143.03537	2.7
190.67950	0.9
205.07196	1.4
215.05531	0.8
263.07852	1.7
285.04352	1.2
337.11655	3.2
342.53760	0.9
361.25510	1.6
363.26871	1.3
375.26926	5.3
377.28842	3.6
379.30084	6.4
391.30081	10.0
392.30420	1.4
407.26196	2.3
423.29111	26.8
424.29575	2.7
439.28766	1.6
441.30457	1.2
453.30185	5.5
454.30899	1.0
467.28104	4.8
469.15720	5.2
485.29147	31.7
486.29688	3.5
515.30145	9.3
541.16901	1.0
1069.48535	12.6
1070.48975	2.5
1099.49792	100.0
1100.50012	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	2.4
85.02956	41.1
86.00111	1.8
87.00871	7.7
87.04582	2.0
87.67378	1.3
89.02460	16.8
89.03001	2.3
97.02977	5.8
99.00882	7.7
99.04571	4.1
101.02442	14.4
113.02457	49.3
115.04048	4.3
125.02496	3.6
127.04044	3.9
129.02032	1.8
131.03506	51.2
135.47774	1.2
143.03526	13.3
145.05069	7.4
149.04570	9.9
165.39763	1.3
173.04570	3.2
191.05655	2.9
205.07249	6.3
263.07742	15.0
281.08786	7.8
285.04028	1.9
305.08850	3.3
323.09906	7.7
337.11319	9.7
340.11072	1.4
347.09912	4.6
349.11621	5.5
357.78299	1.6
363.27084	3.8
365.11008	3.7
367.12851	3.4
375.27164	5.7
377.28302	6.5
378.29114	2.4
379.30237	6.1
381.45969	1.3
389.28522	2.6
391.12253	3.4
391.30121	31.3
391.34723	2.2
392.30807	3.5
407.29803	6.4
409.13538	17.2
409.31430	4.2
427.14957	1.9
451.14685	11.7
457.33453	5.8
467.30493	1.6
469.15622	79.6
470.10526	1.7
470.15771	7.8
473.32877	3.2
501.32455	2.8
511.16721	13.0
512.17426	2.3
519.33307	100.0
520.33435	11.5
523.16632	1.5
529.87402	1.7
541.17719	17.6
546.98779	1.4
561.34406	21.8
562.34467	3.7
583.19122	7.7
953.47681	2.6
966.82977	1.7
971.48370	5.5
972.48950	2.5
1009.79150	1.8
1013.49951	7.2
1014.49707	2.7
1043.51062	8.9
1044.52747	2.0
1061.51819	21.4
1062.52588	6.2
1086.50781	1.8
1103.53064	47.0
1104.53198	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	1105.508
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	0.9
84.02225	0.4
85.02957	10.0
86.00116	0.6
87.00890	3.6
87.04537	1.3
89.02457	6.7
89.02973	0.5
91.78854	0.3
95.01419	0.8
97.02982	1.0
98.21774	0.5
99.00893	0.7
99.04562	0.4
101.02451	6.5
113.02464	6.5
115.04047	1.5
119.03487	1.8
124.91789	0.3
127.04021	0.6
131.03505	4.0
137.93170	0.3
143.03523	3.8
145.05125	1.2
149.04588	0.9
191.05632	0.8
205.07158	3.1
234.10956	0.3
277.09564	0.7
285.04111	0.9
337.11423	5.1
337.14764	0.4
361.25449	0.6
363.27155	1.0
375.27121	1.0
377.28680	1.6
379.30118	2.8
380.30807	0.4
391.30246	2.2
393.28040	0.4
405.28214	1.4
407.30276	0.4
409.31274	1.0
421.27945	0.4
423.29117	17.8
424.29379	1.9
425.30618	0.5
439.28836	1.1
441.30243	3.3
467.28116	6.1
471.31107	5.5
472.31522	0.6
485.29135	25.9
486.29379	3.5
557.31818	1.0
633.36859	1.3
651.37872	0.7
665.35718	1.7
695.36304	1.8
696.37616	0.4
895.43372	18.2
896.43805	3.0
1075.49731	12.5
1075.72778	0.7
1076.49182	2.8
1105.50818	100.0
1106.51123	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	0.4
83.05036	0.6
84.02201	0.4
85.02963	16.3
86.00113	0.5
86.03368	0.3
87.00888	6.5
87.04530	0.5
89.02466	2.5
93.94702	0.3
95.01424	1.2
97.02981	0.6
99.00887	3.9
99.04540	0.4
101.02455	2.2
103.00393	0.5
112.01723	0.4
113.02465	12.9
114.02782	0.5
115.00404	1.4
115.04054	1.2
116.01200	0.6
117.01974	1.0
125.02450	0.5
131.03513	3.0
135.71768	0.3
143.03510	2.2
145.05099	0.4
157.01462	0.8
161.04591	0.4
165.02017	0.6
175.02477	1.6
181.04985	0.4
187.22093	0.3
191.05675	0.4
193.03479	0.4
205.07265	1.5
251.83574	0.4
276.50082	0.3
337.11383	1.8
361.25525	0.4
363.27185	0.8
375.27054	2.1
376.27756	0.4
377.28601	1.8
379.30170	1.8
389.28656	0.4
391.30173	9.2
392.30612	1.2
407.29764	2.6
409.31497	1.2
425.30899	0.5
435.29379	0.8
453.30142	2.6
457.33472	0.9
469.29733	0.4
471.31296	3.7
473.32898	0.5
501.32294	0.5
503.34048	0.8
519.33313	4.9
609.09460	0.3
633.36835	2.0
651.38098	0.7
677.36017	1.0
695.36523	24.2
696.36731	3.3
1105.50854	100.0
1106.51135	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.466
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	3.5
85.02957	14.8
87.00886	4.5
89.02454	14.2
95.01403	3.2
97.02995	1.3
99.00900	5.0
101.02457	26.5
111.01745	1.4
113.02470	19.6
119.03537	4.9
125.02452	3.1
131.03516	4.9
143.03525	3.3
159.02986	2.5
161.04585	16.9
176.70938	1.2
179.05634	13.2
189.12843	3.0
191.05894	1.1
221.06654	13.7
242.10345	1.3
247.54460	1.2
263.07733	8.8
369.19275	2.6
387.19928	6.4
429.21378	15.1
430.21588	1.3
433.13312	1.5
449.15021	1.4
531.23743	2.3
549.25629	17.4
550.25592	3.0
591.26678	100.0
592.26935	12.2
625.88409	1.3
866.04590	1.5
1055.26270	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
59.08532	1.6
67.01902	79.6
68.02206	3.2
70.88220	4.7
73.76922	1.8
78.95912	28.0
81.63794	1.7
83.01384	5.0
85.86581	1.6
110.63100	1.7
111.00896	100.0
112.01218	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	1111.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.8
83.77319	0.1
85.73598	0.1
87.98577	0.1
91.66729	0.2
105.03468	0.3
107.01417	1.8
109.02950	0.4
110.00157	0.1
121.02983	0.4
125.02402	0.2
133.02974	3.3
134.03786	0.8
147.04443	0.2
148.01622	0.3
149.02461	1.1
150.03271	0.2
151.00392	2.9
165.01965	0.2
165.05537	0.2
169.01382	0.2
171.04483	0.4
175.04027	1.5
177.01904	0.2
183.04503	0.3
185.06277	0.2
187.03987	0.5
188.04796	0.2
195.04564	0.2
198.03239	0.4
199.04013	1.6
200.04707	0.6
201.01938	0.4
211.03998	0.8
212.04762	0.3
213.05586	0.3
215.03523	0.4
217.05049	0.7
227.03497	1.2
228.04161	0.2
239.03441	0.4
240.04178	0.2
241.05038	0.6
243.02982	0.5
255.03023	1.2
256.03778	3.6
257.04440	0.3
267.02979	0.4
268.03873	0.3
269.04486	0.8
283.02423	0.7
284.03302	50.0
285.04062	81.2
286.04425	5.2
297.03937	0.5
299.05768	0.3
327.05164	1.0
337.14417	0.2
447.09323	1.5
448.09344	0.2
487.09268	0.2
489.10452	100.0
490.10776	10.3
577.15894	0.3
578.28491	0.2
798.22333	0.2
878.50568	0.2
1132.56238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.7
84.02206	0.5
85.02960	17.1
86.00120	1.0
87.00887	6.4
87.04541	1.0
89.02450	3.6
89.02913	0.4
95.01420	0.7
97.02980	0.5
99.00906	4.0
99.04542	0.8
101.02460	2.2
103.00419	0.4
113.02464	13.5
115.00414	1.6
115.04055	1.0
116.01200	1.1
117.01978	1.0
125.02484	0.6
131.03514	4.4
143.03535	3.2
145.05116	1.3
157.01430	0.9
175.02548	1.6
191.05725	0.5
193.03606	0.6
205.07187	2.4
217.07249	0.5
220.61745	0.4
249.76155	0.4
272.07770	0.4
277.20276	0.4
331.11343	0.4
337.11459	2.8
379.26648	0.7
391.26572	1.1
393.28250	1.0
395.29758	0.9
405.28409	0.5
407.29660	4.9
423.29373	1.5
425.30597	0.5
451.28668	2.4
467.28433	0.6
469.29443	3.2
485.29657	0.5
487.30624	3.7
517.32019	1.0
535.32654	3.2
536.32513	0.4
649.36469	1.3
693.34918	10.2
694.35626	1.5
711.36017	23.4
712.36200	2.4
740.36041	0.5
785.34784	0.4
1121.50330	100.0
1122.50525	23.7
1122.75732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1121.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
78.55682	0.4
81.03376	0.5
81.63240	0.4
83.01289	3.2
84.02100	0.5
85.02853	18.8
85.03414	1.7
86.00021	0.7
87.00780	4.7
87.04464	0.7
89.02344	19.2
89.02954	1.6
95.01288	2.2
97.02846	1.5
98.21921	0.6
99.00765	1.8
99.04406	1.6
101.02339	27.8
101.03062	1.7
101.03361	1.2
102.02706	0.4
109.02892	0.5
111.49001	0.4
113.02464	23.2
113.03170	1.5
115.03892	1.7
119.03513	11.2
125.02330	1.4
127.03902	1.1
129.01837	0.5
131.03516	10.5
132.03650	0.4
143.03516	5.8
145.05080	8.9
149.04474	0.6
159.02893	1.1
161.04576	6.9
169.64735	0.4
175.27534	0.4
179.05621	12.2
180.05818	0.4
191.05559	0.6
205.07193	3.3
221.06529	0.8
229.01993	0.4
247.08055	1.5
263.07516	1.6
265.09106	0.5
269.62601	0.5
285.03915	0.9
307.10352	8.8
325.11353	2.8
363.26855	1.7
367.12457	48.1
368.12753	2.6
375.26831	2.5
377.28653	2.3
379.29974	2.0
387.26923	0.6
389.28546	0.6
391.25677	0.8
391.30161	10.0
392.30246	1.0
407.29752	3.5
408.29700	0.5
409.31235	3.0
423.29013	0.9
427.32297	0.5
435.29062	1.1
439.14548	5.8
453.30060	1.6
454.31281	0.4
457.33389	5.8
458.33456	0.9
471.31274	3.8
501.32327	1.5
503.34033	0.8
519.33246	3.5
553.36334	0.5
635.37830	1.4
663.37579	4.2
664.37781	1.1
681.38599	100.0
682.38867	14.9
723.39783	2.4
724.39789	0.7
753.41193	0.7
1031.50244	2.5
1121.53955	67.5
1122.54187	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	1131.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03371	0.7
83.01282	4.0
83.04962	0.4
84.02090	0.8
85.02849	42.3
85.03668	1.5
85.99997	1.6
86.00462	0.4
86.03221	1.1
87.00777	9.7
87.01345	0.8
87.04424	2.5
89.02341	26.2
89.02953	2.0
95.01290	2.3
97.02846	2.7
98.22646	0.5
99.00878	2.6
99.04408	2.4
101.02335	28.3
101.03060	2.0
109.02905	0.9
111.00802	0.6
111.04442	0.7
112.54603	0.5
113.02465	38.7
113.03172	2.3
113.03556	1.4
113.17712	0.4
114.02724	0.9
115.04016	3.9
119.03513	7.3
125.02309	2.4
127.04028	5.1
129.01842	0.9
131.03522	32.1
131.04462	1.5
143.03514	12.6
145.05093	18.8
145.06169	1.0
149.04579	13.3
157.51176	0.4
161.04558	3.2
169.04974	0.9
173.04567	1.0
175.11082	0.4
179.05618	5.0
181.37410	0.5
187.06160	3.0
191.03934	0.6
191.05603	3.7
205.07198	8.3
215.14294	0.9
217.07188	6.5
217.15863	0.9
233.06686	5.1
235.08284	3.5
239.14024	0.4
259.08093	1.6
269.04410	1.2
277.09283	14.8
278.09595	0.4
284.03036	1.0
285.04068	3.5
286.03961	0.5
295.07401	0.5
295.10373	4.1
319.10345	5.5
321.08160	1.1
337.11435	44.8
338.11697	2.3
363.09201	1.7
373.25494	0.8
379.12723	2.2
379.26193	0.9
389.24197	0.6
389.28546	1.4
391.12408	0.7
391.26373	3.5
393.28040	2.6
395.29706	3.1
405.28104	3.1
406.28439	0.5
407.24393	0.8
407.29590	15.2
408.29834	2.2
409.13513	5.4
421.13449	0.6
423.29193	4.9
424.29535	0.8
425.25473	0.6
425.30719	9.1
426.30957	0.7
439.28702	0.6
443.31577	0.9
451.14584	1.0
469.29962	1.0
471.30991	0.6
473.32776	26.0
474.33148	3.5
587.35968	0.8
589.33838	0.8
617.37286	2.6
633.36700	1.2
635.38080	100.0
636.38434	15.4
649.35748	2.4
677.39325	5.0
678.39453	0.8
692.38922	0.5
721.37946	3.5
722.38977	1.0
734.22546	0.5
751.38983	4.6
752.39282	0.6
913.06274	0.5
1041.48840	0.6
1071.50061	3.3
1089.51245	22.5
1090.51648	5.9
1131.52454	37.6
1132.52771	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	1131.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.4
83.01398	5.3
83.05019	0.6
84.02164	0.8
85.02961	48.9
85.48691	0.3
86.00108	2.7
86.03294	0.9
87.00879	11.5
87.04529	3.5
89.02455	28.6
93.03437	0.3
95.01402	2.6
97.02975	2.9
99.00895	2.5
99.04525	3.8
101.02454	32.2
102.02781	0.6
103.10238	0.3
109.02955	1.0
111.00960	0.6
111.04553	1.1
113.02465	42.1
114.02776	0.9
115.04021	5.7
119.03516	8.1
125.02464	3.0
127.04032	5.5
129.01927	0.5
131.03522	32.9
132.03819	0.6
140.01256	0.4
143.03526	12.3
143.04643	0.6
145.05084	17.2
146.05446	0.4
149.04575	13.6
151.03998	0.4
151.11250	0.6
155.03452	0.4
159.02930	0.5
161.04573	3.4
169.05101	0.9
173.04550	0.9
179.05609	5.9
185.04553	0.6
187.06133	2.6
189.04152	0.5
191.05646	5.3
205.07195	9.0
205.09024	0.6
209.06709	0.6
215.05745	0.4
215.14444	0.8
217.07187	7.1
217.16029	1.3
229.07199	0.4
233.06717	5.4
235.08241	3.4
239.14423	0.5
241.15912	0.5
259.08255	2.4
275.07605	0.4
277.09308	16.9
278.09662	0.7
295.10364	4.1
319.10400	5.6
321.08319	0.9
337.11429	47.4
338.11832	2.1
363.09296	2.1
373.25354	1.0
377.24765	0.6
379.12610	1.9
379.26379	1.1
379.30441	0.6
381.14328	0.4
389.24268	0.5
389.28989	1.6
391.26517	3.4
392.26819	0.4
393.24017	0.4
393.28165	3.0
395.29541	3.9
405.10455	0.7
405.28159	2.8
406.28134	0.5
407.29648	17.2
408.30078	2.4
409.13574	4.4
409.27814	0.5
410.13937	0.6
421.13690	0.7
421.27313	0.7
423.29007	4.9
424.29315	0.6
425.30658	7.4
426.31128	0.8
439.28354	0.6
443.31601	0.9
451.14810	0.8
451.29016	0.4
455.32083	0.4
469.29617	1.5
471.31323	0.8
473.32755	29.7
474.33194	4.0
587.36218	0.8
589.33990	1.0
608.53534	0.4
617.37079	2.9
618.37048	0.5
633.36017	2.3
635.38068	100.0
636.38373	18.1
636.49231	0.5
649.35864	2.6
667.36780	0.8
677.39050	5.4
678.39923	0.9
721.38477	3.2
722.38599	0.4
751.39154	4.2
752.39362	0.7
763.38373	0.9
999.48346	0.4
1041.49072	0.5
1071.50330	3.0
1072.51917	0.8
1089.51343	20.8
1090.51343	5.0
1131.52466	30.9
1132.52441	8.5
1150.49084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5391
Annotation	Platycoside B
Peak:m/z	Relative Intensity
83.01298	2.1
84.02117	0.5
84.70237	0.2
85.02863	17.2
86.00086	1.2
86.03227	0.3
87.00786	4.6
87.04432	1.4
89.02355	13.0
89.02951	0.9
90.02712	0.3
95.01297	1.4
97.02955	1.5
98.21687	0.3
99.00880	1.6
99.04538	1.3
101.02454	17.2
101.03078	1.0
111.00880	0.3
111.04482	0.2
113.02463	16.8
113.03177	0.9
114.02695	0.3
115.04021	2.3
119.03510	5.5
125.02435	1.5
127.04021	1.2
131.03517	12.0
143.03519	6.5
145.05081	7.2
145.06134	0.3
149.04559	3.8
159.02855	0.3
161.04546	1.4
173.04469	0.4
175.47968	0.2
179.05615	2.1
185.04518	0.3
191.05663	1.2
205.07196	3.5
217.07202	1.4
229.18405	0.3
233.06635	1.4
235.08173	0.4
277.06546	0.3
277.09335	4.2
285.03781	0.3
295.10385	2.4
319.10397	1.9
337.11429	28.1
338.11807	1.5
347.27301	0.4
359.23618	0.3
363.26776	1.0
373.24951	0.3
375.27029	2.2
377.28635	2.3
379.12573	2.6
379.30072	2.7
380.12595	0.3
380.30545	0.4
389.28494	0.6
391.11987	0.2
391.30157	10.7
392.30676	1.1
393.27817	0.4
405.28186	0.5
407.29721	3.4
408.30075	0.5
409.13583	2.7
409.31265	3.6
410.31317	0.4
423.28912	0.8
425.30707	0.4
427.32123	0.9
435.29166	1.1
441.30197	0.5
451.14655	0.3
453.30106	2.3
454.30316	0.3
457.33344	6.9
458.33447	0.9
469.15991	0.3
471.31207	5.2
472.31226	0.5
501.25488	0.4
501.32303	4.0
502.32462	0.5
513.31616	0.3
519.33356	3.2
520.33722	0.4
561.34314	0.8
591.35345	0.6
619.38361	1.6
633.36597	1.3
634.36780	0.4
635.38354	1.3
636.37561	0.3
645.36444	0.3
663.37610	14.4
664.37878	2.6
681.38605	100.0
682.38928	15.7
705.38403	1.2
723.39691	32.2
724.39972	5.6
753.40668	4.0
754.40656	0.6
765.40387	0.6
795.41711	0.4
983.49335	0.6
1001.49097	1.2
1043.50366	1.5
1073.52136	3.0
1074.51953	0.9
1091.52856	14.8
1092.53320	3.5
1133.53906	20.9
1134.54224	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	1133.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03372	0.2
83.01240	2.4
83.01778	0.5
84.02048	0.3
85.02804	15.0
85.03375	2.8
85.03667	0.7
85.99939	0.7
86.00438	0.3
86.03175	0.3
87.00723	3.4
87.01315	0.6
87.04361	1.2
89.02291	12.3
95.01224	1.3
97.02785	1.1
98.22474	0.5
99.00716	1.3
99.04359	1.1
101.02276	14.6
101.03018	1.9
102.02631	0.3
109.02827	0.5
109.06438	0.2
110.89081	0.2
113.02271	14.5
113.03147	1.7
114.02633	0.4
115.03835	1.9
119.03315	4.7
119.04733	0.3
125.02253	1.3
127.03808	0.8
131.03308	10.5
131.04382	1.0
135.02869	0.2
136.01517	0.5
143.03297	5.8
143.04492	0.5
145.04860	6.4
149.02248	0.5
149.04335	3.5
149.05634	0.4
150.03004	1.0
151.03880	0.5
161.04346	1.3
164.04587	0.3
165.05365	1.0
166.02454	0.2
173.04413	0.3
179.05659	1.7
181.04912	0.4
185.04376	0.4
189.12624	0.3
191.05600	1.3
195.06390	0.5
205.07178	3.9
217.06937	0.7
225.32196	0.2
227.12946	1.2
233.06430	0.8
235.07993	0.4
245.15215	0.4
264.20554	0.2
267.71716	0.2
275.07626	0.2
277.09265	3.2
284.51904	0.2
285.03860	0.2
287.15005	0.4
295.10388	1.7
319.10297	1.9
337.11420	26.2
338.11560	1.4
363.27008	1.2
373.25317	0.3
375.27097	2.4
376.26941	0.3
377.28445	1.9
378.28598	0.4
379.12491	2.1
379.30093	2.5
380.30392	0.4
387.14365	0.3
389.28656	0.5
391.30148	11.6
392.30481	1.1
393.28159	0.3
395.29443	0.5
405.28012	0.3
407.29733	3.7
408.29675	0.3
409.13492	3.0
409.31226	4.0
410.31299	0.4
423.29028	0.4
425.30524	0.4
427.32016	0.4
431.19006	0.3
435.29196	1.1
441.29916	0.4
451.14264	0.3
451.28406	0.3
453.24261	0.2
453.30161	2.6
454.30496	0.4
457.33243	7.4
458.33548	1.1
471.31204	4.6
472.31528	0.5
501.32272	4.0
502.32437	0.5
513.31927	0.3
519.33264	3.3
520.33600	0.4
561.34235	0.7
583.21478	0.3
587.76288	0.3
591.35602	0.6
619.38403	1.6
633.36487	1.7
635.37463	1.2
636.38971	0.3
645.36194	0.5
663.37561	14.2
664.37714	2.4
670.37982	0.3
681.38580	100.0
682.38898	15.3
682.56323	0.4
695.40283	0.4
705.38953	1.1
723.39661	32.2
724.40027	5.4
753.40662	3.6
754.40210	0.5
765.40552	0.5
791.42023	0.4
795.41858	0.3
809.42975	0.3
855.44147	0.3
941.48273	0.3
959.48743	0.3
983.49030	0.8
1001.49725	0.9
1002.50555	0.3
1015.42181	2.3
1016.42072	0.7
1043.50537	1.3
1044.52124	0.4
1073.51843	2.5
1074.52295	0.8
1091.34741	0.2
1091.52844	14.6
1092.53223	3.5
1133.54004	17.5
1134.54138	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	1135.7138
Annotation	Unknow
Peak:m/z	Relative Intensity
80.05056	0.1
81.03467	3.4
83.01400	4.8
83.05034	7.2
84.05377	0.1
85.02963	1.5
87.00900	0.4
89.02460	1.8
92.27621	0.1
93.64186	0.1
95.01395	0.6
97.02966	0.3
99.00911	0.2
99.06003	0.1
100.07740	0.1
101.02454	12.2
102.02820	0.3
107.06195	0.2
108.04591	0.2
113.02456	5.0
114.02796	0.1
119.03520	1.4
122.03765	0.1
125.02466	0.6
125.07239	0.5
126.05595	0.3
131.03519	1.5
135.04469	0.1
143.03534	1.4
143.08281	0.2
147.03001	0.2
149.02505	0.3
149.04567	2.4
150.03229	0.8
151.03987	0.2
155.03548	0.7
161.04578	4.5
162.03157	0.1
162.04739	0.1
165.05615	0.5
166.05940	0.1
177.05597	0.1
179.05695	0.2
181.04961	0.1
189.28716	0.1
191.05620	0.2
195.06631	0.5
199.18108	0.1
203.05638	0.6
207.15022	0.8
221.06699	1.2
224.17706	1.3
225.16104	8.9
226.16423	0.4
242.18796	0.5
250.15599	0.2
251.25017	0.1
268.16641	0.2
285.04062	0.2
290.22321	0.2
309.21722	0.6
324.26691	0.4
333.22964	0.6
335.07941	0.1
341.29370	0.8
351.24359	0.2
367.27155	1.1
385.28232	0.2
407.33838	0.2
433.31781	1.0
450.34607	1.3
451.32928	5.7
452.33209	0.6
462.66180	0.1
468.35822	0.1
514.09174	0.1
521.20435	0.1
533.20300	0.2
550.43665	0.8
559.39484	0.5
565.44513	0.3
567.46002	0.1
577.40759	0.2
593.43549	0.6
632.48071	0.2
659.48566	2.1
660.49109	0.3
677.49725	100.0
678.50024	17.8
679.50281	0.3
763.27252	0.2
811.30078	0.2
827.44550	0.6
828.44104	0.2
1046.94141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01390	2.2
85.02960	13.0
86.00056	0.9
87.00887	4.7
87.04514	1.5
89.02454	9.0
95.01401	1.6
95.05064	0.3
97.02961	1.4
98.22533	0.6
99.00823	0.9
99.04524	1.3
101.02454	9.7
109.02979	0.3
110.01546	0.2
111.04571	0.3
113.02464	9.2
115.04016	2.5
119.03515	3.1
125.02485	1.5
127.03963	1.1
131.03522	8.0
133.18137	0.3
138.81535	0.3
143.03522	7.1
145.05000	1.1
149.04610	1.7
151.11246	0.4
161.04539	0.5
187.06061	0.5
191.05519	0.8
203.14412	0.4
205.07188	3.9
215.14314	0.9
216.87476	0.3
217.07138	1.1
217.15981	1.5
233.06583	1.1
239.14383	0.3
241.15984	0.3
277.09302	1.1
319.10339	0.5
337.11453	9.1
338.11600	0.6
359.23450	0.4
361.25250	1.1
375.26898	0.9
377.24408	0.5
377.28564	1.5
379.12518	0.4
379.26306	0.9
391.26443	0.7
393.28119	2.5
394.28241	0.5
395.24753	0.4
395.29596	4.7
396.29901	0.6
405.28104	0.5
407.29941	0.4
409.27533	0.8
413.30579	0.4
421.27621	0.9
423.28964	0.8
425.30728	3.6
426.31387	0.4
437.26785	3.6
437.31573	0.3
438.27518	0.5
439.28571	61.0
440.28952	8.0
440.35049	0.3
441.30161	0.3
443.31876	0.5
445.35394	0.3
453.26364	1.6
461.05981	0.3
471.27075	0.3
525.28815	0.3
540.26837	0.3
540.35059	0.3
555.29523	1.1
556.30127	0.3
575.35858	0.5
585.34283	0.4
587.35803	2.3
588.36383	0.4
601.35565	0.3
605.37262	0.9
619.34991	3.7
620.35535	0.7
649.36041	5.1
650.36493	1.0
781.43909	1.9
782.44269	0.4
823.45270	0.5
893.42004	2.8
894.42444	0.4
935.42896	34.9
936.43262	7.6
1115.49268	20.5
1116.49585	6.1
1116.70630	0.2
1145.50269	100.0
1146.50562	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1145.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	1.9
85.02962	12.9
85.03446	0.5
86.00050	0.9
87.00883	5.4
87.04456	1.2
89.02456	8.0
95.01327	1.4
97.02891	1.2
99.00810	1.2
99.04477	1.0
101.02457	8.6
113.02465	10.1
115.04037	2.2
119.03492	1.9
125.02407	1.2
127.03942	1.1
131.03519	6.9
132.03870	0.5
143.03503	6.0
145.04988	1.2
149.04501	1.3
151.11227	0.4
191.05544	1.2
205.07185	4.0
215.14349	1.0
217.07184	0.8
217.15955	1.3
225.71022	0.3
228.14803	0.3
233.06699	0.7
235.08292	0.6
259.08292	0.3
277.09210	1.2
285.04227	0.4
319.10220	0.5
337.11426	8.2
338.11514	0.4
359.23569	0.4
361.25385	1.0
375.26880	0.9
377.28555	1.2
379.12778	0.4
379.26312	0.7
391.26187	0.8
393.28009	2.2
395.29565	4.3
396.30136	0.4
405.28317	0.4
407.29401	1.0
409.13385	0.5
409.27261	0.6
421.27402	1.1
423.29340	1.6
425.30768	4.1
437.26974	3.5
439.28571	53.6
440.28937	7.0
453.26471	1.4
457.29532	0.4
473.33194	0.5
553.97003	0.4
555.29755	1.1
575.36371	0.5
587.35730	2.5
605.37103	0.4
614.86255	0.4
619.34839	2.8
649.35889	6.2
650.36542	1.3
780.84454	0.4
787.30951	0.5
893.41614	2.5
935.42938	30.4
936.43353	6.9
1115.49219	19.1
1116.49512	4.4
1145.50281	100.0
1146.50610	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.1
85.02957	7.6
85.03426	0.4
86.00076	0.3
86.03252	0.3
87.00880	2.4
87.04445	0.6
89.02452	5.9
89.02965	0.3
95.01408	0.9
95.04971	0.3
97.02884	0.7
98.22469	0.3
99.00904	0.9
99.04452	0.5
101.02456	5.9
104.91288	0.2
113.02467	5.7
113.03191	0.2
113.83748	0.2
115.04023	1.0
119.03521	1.5
120.34274	0.2
121.61246	0.2
125.02355	0.6
127.03930	0.5
128.04337	0.2
131.03516	3.9
140.66624	0.2
143.03526	3.0
145.04976	0.7
149.04478	0.7
151.11263	0.2
161.04504	0.4
175.11194	0.3
187.06071	0.2
191.05510	0.6
205.07193	2.1
217.07080	0.6
233.06580	0.2
245.15367	0.4
259.97101	0.2
277.09183	0.7
285.03885	0.3
319.10083	0.2
337.07529	0.3
337.11438	6.4
338.11658	0.4
361.25253	0.5
363.26813	0.6
375.27051	1.0
377.28662	1.5
379.30255	2.4
380.30496	0.5
391.26300	0.2
391.30206	1.9
392.30307	0.3
393.28290	0.2
395.29608	0.4
396.68106	0.2
397.31345	0.2
405.28000	1.1
407.25031	0.2
407.29810	0.4
409.31033	1.1
421.28226	0.2
423.29099	17.3
424.29391	2.2
425.30453	0.3
437.26907	0.2
439.28525	1.4
440.28928	0.2
441.30325	2.5
442.30933	0.3
453.30200	0.2
467.28085	8.0
468.28271	1.0
471.24667	0.3
471.31186	4.8
472.31598	0.6
485.29138	26.3
486.29553	3.0
503.30313	0.4
527.30096	0.7
557.31256	1.7
558.31372	0.3
579.69836	0.2
617.33746	0.3
621.36902	0.3
633.36407	1.5
634.37653	0.2
650.36621	0.3
651.36951	1.1
665.35657	1.5
666.35126	0.3
695.36615	2.6
696.36560	0.4
725.47717	0.2
895.43427	2.4
896.43604	0.4
936.09210	0.2
937.44464	19.9
938.44818	4.1
1117.50818	16.2
1118.51062	3.5
1147.51831	100.0
1148.52087	25.3
1178.10071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01388	1.3
85.02965	8.7
85.03430	0.4
86.00056	0.3
87.00895	2.2
87.04439	0.7
89.02460	6.6
89.02966	0.4
95.01406	1.0
97.02911	0.5
98.49658	0.2
99.00816	0.8
99.04488	0.5
101.02460	6.8
108.02194	0.3
109.06564	0.2
113.02460	5.9
113.33656	0.2
115.04045	1.2
119.03519	1.7
125.02351	0.6
127.03974	0.5
129.01889	0.3
131.03534	3.6
143.03516	3.3
145.05157	1.0
145.05989	0.2
149.04570	1.0
151.11176	0.3
161.04498	0.4
189.12883	0.2
191.05594	0.4
205.07211	2.5
205.99286	0.2
217.07117	0.5
233.06558	0.4
259.08054	0.3
277.09320	0.9
285.03842	0.4
319.10278	0.4
322.26468	0.3
337.11447	7.0
338.11765	0.3
361.25269	0.5
363.26889	0.6
373.25388	0.3
375.26932	0.7
377.28522	1.6
379.12347	0.2
379.26074	0.3
379.30188	3.0
391.30170	2.1
393.28250	0.3
395.29623	0.4
397.30884	0.3
405.28061	1.2
407.29877	0.3
409.13651	0.3
409.31360	1.4
423.29117	19.8
424.29419	2.0
425.30728	0.2
435.29208	0.3
439.28851	1.5
440.28253	0.3
441.30118	2.6
442.30392	0.3
453.30121	0.3
467.28049	8.5
468.28476	0.8
471.31287	5.6
472.31616	0.6
485.29153	26.9
486.29538	2.9
527.30316	0.7
557.31024	1.4
617.33539	0.4
621.36261	0.5
633.36438	2.0
634.36945	0.3
651.38147	0.6
665.35675	1.1
677.35583	0.4
695.36554	1.8
736.77338	0.3
895.43274	2.8
896.44409	0.6
937.44495	23.3
938.44757	4.9
1028.97668	0.2
1117.50940	16.8
1118.28918	0.3
1118.51135	3.6
1147.51892	100.0
1148.52087	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0039
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
59.01378	8.7
69.30043	8.1
69.30459	12.0
71.01390	100.0
72.01750	4.2
87.00904	7.6
88.68349	2.9
89.59981	2.8
98.21774	5.0
100.60786	3.1
111.29922	3.3
112.44765	2.8
115.00350	6.9
116.07159	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	1159.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	1.3
85.02951	1.8
85.53996	0.2
87.00846	0.4
89.02450	3.6
90.55002	0.3
95.01358	0.5
98.22261	0.9
101.02466	5.0
103.46861	0.3
107.01395	1.2
109.02947	0.7
113.02464	3.0
119.03510	2.3
133.02991	3.0
134.03644	0.4
149.02443	1.1
151.00397	3.2
161.31915	0.3
171.04449	0.3
175.03981	1.6
176.01222	0.3
177.02008	0.3
180.47408	0.3
183.04637	0.5
185.06061	0.4
198.02968	0.4
199.04091	1.9
201.01912	0.6
211.03998	0.4
212.04819	0.3
213.05621	0.3
217.05034	0.6
218.16814	0.3
226.90614	0.3
227.03503	1.2
239.03404	0.4
241.05092	0.6
243.02956	0.3
255.02940	0.5
256.03809	3.1
257.04498	0.5
283.02432	0.6
284.03299	46.9
285.04071	100.0
286.04446	6.7
297.04089	0.4
327.05154	1.1
421.27438	3.3
422.27762	0.5
439.28738	0.5
447.09378	93.1
448.09717	9.2
601.34125	0.4
663.33966	7.9
664.33929	1.5
710.19299	0.4
711.36041	64.3
712.36292	10.5
1043.19556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0508
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
59.01376	1.7
70.97416	1.4
71.05022	1.3
73.02957	14.8
80.59770	0.7
82.34289	0.5
89.01470	2.3
91.78551	0.6
99.00926	1.3
99.92596	45.5
115.92094	2.3
116.02580	6.5
116.05083	55.3
116.07175	6.8
116.92876	100.0
117.01954	2.3
117.04649	1.0
117.05440	3.5
117.07579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1164.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02970	29.0
87.00894	13.3
89.02476	22.8
97.02975	4.5
101.02453	39.5
113.02481	18.9
115.03990	4.2
119.03529	4.1
123.54875	2.9
125.02480	5.9
131.03511	21.1
141.90785	3.1
143.03580	14.9
145.05086	35.5
149.04568	20.1
161.04521	5.3
165.05482	3.5
179.05676	23.5
191.05627	6.5
205.07251	8.8
217.07178	9.8
221.06709	3.2
224.58276	2.8
260.19684	3.5
266.86368	3.0
295.10480	15.5
337.11444	81.2
378.37671	3.1
391.30283	6.9
466.21753	3.8
501.32858	3.4
502.32111	3.3
519.33380	100.0
520.33789	13.0
561.34326	11.3
591.02887	3.9
601.19733	14.9
619.20789	11.5
815.53448	3.6
839.44238	7.5
869.45428	19.2
870.45911	6.0
877.76947	3.3
950.92310	3.4
1121.53076	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
53.59752	0.4
55.01873	0.5
58.35388	0.4
59.01388	0.4
59.75277	0.3
71.01414	0.5
71.12299	0.7
72.00896	0.6
73.02955	100.0
74.02481	1.1
74.03287	3.1
99.00896	7.7
99.92592	0.5
109.02909	0.3
116.92906	1.1
117.01123	0.6
117.01953	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	117.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
56.20635	0.4
59.02378	0.4
61.15638	0.4
62.26268	0.4
69.43700	1.4
69.44109	1.4
73.02954	100.0
74.03290	3.7
78.97749	0.4
99.00897	7.8
99.92608	3.0
116.92881	7.4
117.01958	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	1181.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	2.0
85.02963	27.1
86.00102	1.9
87.00890	10.9
87.04508	3.3
89.02449	29.5
97.02950	2.4
99.04523	3.8
101.02453	39.3
113.02467	11.3
115.04025	5.2
119.03496	7.4
125.02436	4.4
127.04076	3.5
131.03529	22.0
143.03502	14.6
145.05084	43.9
146.05504	1.9
149.04578	19.2
161.04565	5.7
166.48857	1.4
179.05623	29.6
182.44917	1.5
191.05641	6.2
195.06557	1.8
205.07207	10.7
217.07198	10.7
221.06558	3.3
228.25935	1.4
235.08307	3.6
252.08339	1.5
269.04620	2.0
295.10355	17.2
305.08801	5.9
337.11438	83.9
338.11798	3.8
375.26968	2.4
391.30273	11.0
407.29935	1.9
457.33481	2.7
473.32291	2.1
501.32391	4.4
519.33350	100.0
520.33441	18.6
561.34253	14.1
562.34723	1.9
601.20081	15.9
619.20898	10.9
647.38135	2.8
839.44086	8.7
1121.54565	9.4
1122.54114	3.6
1191.05457	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	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51083	4.6
54.31483	4.7
54.94963	5.6
59.01387	100.0
71.01395	45.5
72.99295	11.4
89.80599	5.0
101.92435	19.6
118.92651	39.0
118.93420	9.2
119.02522	13.9
119.05047	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51083	4.6
54.31483	4.7
54.94963	5.6
59.01387	100.0
71.01395	45.5
72.99295	11.4
89.80599	5.0
101.92435	19.6
118.92651	39.0
118.93420	9.2
119.02522	13.9
119.05047	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
65.03993	1.0
66.39124	0.8
68.99178	7.9
80.48648	0.9
91.05521	0.9
93.03465	5.5
97.66679	0.8
117.03451	0.9
118.92751	0.9
119.05041	100.0
120.05353	7.0
127.25174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63747	0.7
59.01390	1.1
65.03966	1.1
69.30387	4.8
71.22413	0.6
91.05537	1.6
93.03476	5.2
98.98669	0.7
101.92409	0.9
104.02671	0.7
117.03499	1.0
118.92715	2.2
118.96505	1.3
119.05044	100.0
120.05373	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	121.0298
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
60.15427	0.2
64.59223	0.3
66.03494	2.0
69.12781	2.5
91.01910	1.2
92.02187	0.3
93.03474	3.6
94.02999	6.7
95.01402	1.5
98.21810	0.6
108.02192	4.3
121.02975	100.0
122.02491	5.0
122.03319	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.76809	1.0
64.65472	1.1
66.03493	9.3
68.10416	1.2
71.27616	1.3
85.42510	1.2
93.03481	5.3
94.02999	32.5
95.01378	1.9
98.62988	1.2
106.13268	1.2
108.02198	4.2
121.02973	100.0
122.02494	25.2
122.03321	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	125.9961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	21.4
59.01381	9.7
59.79723	7.0
59.98532	100.0
65.70274	7.1
68.99821	25.4
70.03792	8.1
70.78523	23.2
71.81335	9.0
79.99091	7.8
82.00610	57.4
83.01441	8.0
96.99335	10.5
103.64198	10.6
106.75882	7.6
111.31169	7.4
113.27633	9.4
125.99609	89.6
126.01981	11.8
126.02785	36.1
126.90473	50.7
127.00375	27.3
127.04022	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	127.004
Annotation	5-hydroxyfuran-2-carboxylic Acid
Peak:m/z	Relative Intensity
54.32347	5.1
55.01891	31.3
55.83043	5.3
56.70028	4.9
59.01381	6.8
59.99835	5.3
69.12399	14.9
69.12798	36.0
71.01389	76.7
81.03463	10.1
83.01389	48.5
83.05039	10.6
85.02956	18.6
96.03590	5.4
98.21810	11.9
99.00893	13.5
110.90865	6.2
112.15951	5.0
117.27676	5.6
126.90457	78.2
127.00397	100.0
127.04058	17.5
128.00772	9.4
128.03554	42.8
128.07185	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	129.0197
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
57.03460	2.5
58.27403	1.5
67.01891	5.7
68.99827	2.6
73.02940	1.7
85.02966	100.0
86.03300	5.6
88.04046	7.9
89.30128	1.6
101.02480	1.9
120.22711	1.4
129.01999	7.6
130.08806	10.0
141.09082	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00271	7.6
55.01889	21.7
57.03463	44.6
57.26352	9.3
67.01894	100.0
67.06786	7.8
68.99829	23.5
71.01392	38.5
71.24595	12.8
72.99304	11.6
73.02946	11.5
85.02972	53.2
87.00922	11.4
88.04060	19.6
93.41535	8.0
95.23013	7.8
113.85110	7.7
129.01987	41.4
129.05672	7.8
130.08775	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16479	5.7
53.56137	6.3
55.01897	6.5
56.59156	6.4
57.03456	26.5
65.92933	5.8
67.01902	59.5
68.99821	6.4
70.93190	13.1
72.99297	7.4
75.04802	5.7
85.02968	100.0
88.04044	12.5
99.00955	6.3
124.22970	6.7
128.90143	12.9
129.01964	18.8
130.08755	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64853	1.1
51.42754	1.1
58.28080	1.1
70.61037	2.4
76.51427	1.0
130.08757	100.0
131.09096	6.3
145.98216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0716
Annotation	Ethyl 4-hydroxybutyrate
Peak:m/z	Relative Intensity
57.03447	4.1
59.01388	100.0
60.01747	2.3
69.34216	2.5
69.83395	3.3
69.83805	7.4
71.01379	3.1
75.69781	2.1
80.38179	1.9
85.02960	12.7
85.06615	4.0
131.03500	2.5
131.07159	4.5
131.09058	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
59.40650	1.3
62.82772	1.7
66.72485	1.4
70.87142	3.2
71.01390	98.6
72.01723	2.4
72.99312	23.6
89.02440	7.6
107.74729	1.6
115.00389	100.0
133.01433	17.9
134.04707	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
53.19712	1.1
53.21330	1.2
56.12349	1.2
59.01369	1.8
69.36243	5.4
69.36644	2.7
71.01391	84.1
72.01733	2.2
72.99314	19.4
75.35547	1.2
77.43576	1.2
87.00899	1.4
89.02460	7.8
98.21844	2.0
113.64637	1.1
115.00388	100.0
116.00743	5.2
121.93104	1.4
133.01454	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	133.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	92.1
71.81824	13.2
72.99296	29.6
75.95374	14.0
76.75993	16.9
84.35294	15.4
107.03622	18.1
115.00369	100.0
115.61214	14.1
133.01477	20.7
134.04729	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0297
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
50.47948	1.7
51.34246	1.9
59.01389	2.6
65.00323	5.6
65.03989	1.9
69.09191	13.0
69.09603	5.0
71.01395	73.3
72.01762	2.4
72.99316	21.9
77.03974	18.7
79.29800	1.9
80.65726	1.8
89.02451	6.6
89.03982	6.8
92.02568	5.5
93.03460	4.6
95.05043	30.5
105.03483	56.2
106.03823	3.3
107.03644	16.2
114.99579	4.4
115.00391	86.5
116.00741	3.4
121.03007	3.1
123.04560	4.6
124.21141	2.2
132.02202	26.7
132.86839	3.3
132.90050	5.9
133.01512	15.0
133.02989	100.0
133.04030	4.8
134.02492	4.6
134.03581	6.5
134.04716	38.9
134.05858	2.2
134.06165	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	134.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08194	0.5
56.52228	0.4
65.01455	1.4
66.44732	0.5
68.02543	0.9
69.68287	2.8
80.02550	0.5
92.02034	1.0
92.02564	12.7
93.02898	0.5
107.03661	43.6
108.04002	1.4
134.04761	100.0
134.86592	0.7
135.04434	2.2
135.05139	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	134.0476
Annotation	Adenine
Peak:m/z	Relative Intensity
51.19792	0.4
61.64000	0.4
65.01448	1.5
68.02530	0.5
69.80842	1.5
69.81216	0.8
80.02569	0.5
92.02560	11.0
107.03654	42.7
108.03989	1.4
134.04752	100.0
135.05214	4.3
140.62614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Erythronic acid
Peak:m/z	Relative Intensity
59.01387	12.1
69.15634	5.5
71.01391	5.0
72.04665	0.6
72.99313	17.9
75.00880	100.0
76.01207	2.4
89.02464	7.0
98.21848	1.6
108.04575	6.3
113.05373	0.6
117.01967	1.5
133.52675	0.8
134.03746	1.1
134.89473	4.0
135.03015	18.6
135.04538	5.5
136.03261	1.0
149.08446	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0168
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
56.24987	1.4
67.01892	1.7
68.99799	1.7
70.47068	1.5
71.26109	3.0
79.55993	1.7
93.03464	45.3
94.03052	2.0
95.01386	14.1
97.02959	3.1
108.02186	100.0
109.02444	4.4
109.03082	2.4
123.00921	2.0
135.89516	2.9
136.01674	73.2
136.03972	2.6
136.04924	2.1
136.89195	5.2
137.02505	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0407
Annotation	4-Nitrotoluene
Peak:m/z	Relative Intensity
61.07711	1.1
64.01920	4.0
64.37337	1.1
64.81283	0.9
65.00326	1.4
65.03976	2.0
70.06104	4.2
78.95915	1.2
81.03477	2.5
88.10445	1.1
92.05077	4.2
93.03474	56.2
94.02991	3.9
95.05045	1.6
108.02181	7.8
108.04598	2.2
109.02962	4.1
120.79601	1.0
121.05405	1.1
135.89499	3.2
136.00581	1.9
136.01697	8.0
136.04059	100.0
136.86270	3.1
136.89194	8.6
137.02466	34.5
137.04353	6.5
137.06104	2.1
137.07153	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	137.0248
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
65.03975	1.4
66.03500	0.5
69.13812	4.4
78.95934	0.7
81.03446	0.6
93.03478	100.0
94.03009	1.1
94.03822	5.2
108.02197	9.4
109.02986	1.8
123.00914	2.2
123.03286	1.5
136.01675	0.9
136.86336	2.7
136.89211	1.8
137.02480	14.7
137.03532	0.9
138.01022	0.8
138.01999	11.8
138.02838	0.7
138.05577	0.8
158.58548	0.5
158.73828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0247
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
65.03967	1.6
69.25078	4.7
73.92998	0.6
74.00596	0.7
79.31367	0.7
81.03461	3.7
81.95863	0.6
91.01903	1.5
91.10577	0.6
93.03468	66.3
94.03053	0.6
94.03783	3.6
95.05061	0.8
108.02178	12.0
109.02983	5.8
115.80915	0.7
119.01409	2.8
123.03286	13.9
136.01680	13.4
136.02652	1.1
136.89195	2.6
137.02470	100.0
137.94234	0.6
138.01869	4.5
138.02892	5.5
138.05637	13.3
151.41269	0.7
154.27611	0.7
159.96466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
51.88067	1.4
67.01891	2.3
71.12788	3.3
94.03011	1.7
94.03783	2.6
108.02186	17.6
111.00890	4.4
117.71036	1.6
122.02465	3.3
123.03282	75.5
124.03597	5.4
138.01993	25.7
138.05627	100.0
139.00432	1.8
139.05977	5.5
145.66359	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	141.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07894	0.9
59.01387	4.2
59.98521	1.9
63.58946	0.7
65.00333	100.0
66.00671	3.1
69.53354	4.7
73.03117	0.8
82.00625	2.9
97.02978	3.5
98.21841	1.0
125.99604	12.7
141.02034	1.1
142.06642	1.3
158.53902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60693	1.4
51.28655	1.4
53.00307	8.8
55.20580	1.6
55.85959	1.4
57.87939	1.6
58.02981	14.3
59.01375	2.5
68.99759	1.8
69.03451	3.7
69.45977	9.9
71.01394	21.1
72.99316	2.8
80.99804	2.4
85.02946	6.1
85.03418	1.7
87.00872	9.4
96.99329	11.2
97.02937	1.9
98.06130	7.9
98.22372	2.5
99.04531	20.0
100.04060	100.0
101.04398	4.0
112.98849	12.2
115.00417	2.5
124.98820	26.9
125.02442	1.9
140.98303	3.4
142.05101	4.4
142.99878	32.8
143.03551	2.9
143.07297	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23653	4.1
53.00314	30.4
59.01387	13.5
62.47116	5.5
69.34418	19.0
69.34837	12.7
70.72062	3.8
71.01390	58.1
72.99290	7.4
76.89790	5.3
80.99822	10.7
87.00883	20.5
91.32854	4.0
96.99316	40.5
98.21873	6.8
112.98828	50.6
114.14009	4.4
115.00372	8.5
124.98827	100.0
125.99241	6.2
140.98337	14.3
142.99870	91.0
144.00230	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	26.7
59.01374	8.6
68.99812	11.1
69.39677	21.8
70.90194	3.0
71.01389	62.9
72.99297	6.7
80.99837	8.5
85.02961	7.3
87.00880	22.5
96.99329	38.3
98.22489	6.4
99.04536	3.7
112.98821	44.7
115.00364	7.5
124.98824	86.7
125.99166	6.6
140.98299	14.7
142.99886	100.0
148.16545	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57988	3.3
53.00316	31.3
59.01390	9.8
68.99815	6.1
69.71247	14.6
71.01392	52.9
73.44107	3.4
76.46688	3.8
80.99839	11.0
87.00890	15.9
89.12786	3.4
96.99310	35.1
97.86540	3.4
99.04508	17.1
112.98811	43.0
115.00360	8.0
121.83508	4.1
124.98817	73.1
124.99648	6.4
125.99165	4.2
134.28334	3.5
140.98318	10.6
142.99893	100.0
144.00206	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	143.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99453	10.0
53.00299	14.4
59.01385	100.0
67.01933	8.5
69.03451	21.2
69.21291	8.4
71.01392	80.3
71.25759	13.8
71.26123	12.7
72.99311	12.9
73.02951	12.3
81.03470	13.5
85.02953	48.2
87.00872	33.9
87.04524	22.1
96.99325	24.4
97.02946	11.0
99.04526	17.2
115.00370	15.9
115.04017	9.6
116.02530	16.2
116.05006	10.0
117.00513	12.9
124.98855	47.9
125.02438	17.7
140.98300	11.0
142.99873	34.9
143.02513	20.8
143.03571	46.2
143.10774	29.0
144.02075	12.7
144.04558	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.7
58.00605	9.2
67.56040	6.9
69.03464	18.9
69.22001	7.0
71.01396	38.8
71.21321	6.3
72.99307	7.2
73.02950	10.3
79.81898	5.9
81.03461	8.9
83.01366	6.4
83.05056	25.2
84.02178	29.1
85.02966	36.1
85.06608	100.0
86.57987	7.2
87.00895	20.2
95.01425	7.5
95.05058	21.4
97.02966	13.3
97.06607	13.0
98.22541	30.2
103.58542	6.7
115.05569	7.9
115.07582	10.2
125.06055	7.6
129.45090	6.3
139.86223	7.2
143.02559	8.7
143.03586	18.4
143.05045	53.5
144.04549	50.6
144.05464	6.4
151.99973	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	143.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	5.2
58.00589	8.8
69.03468	6.9
69.51920	25.0
70.79251	4.0
71.01389	15.6
72.00872	6.1
80.81913	4.9
83.05042	13.9
84.02165	9.1
85.02962	12.6
85.06595	46.7
95.05049	14.4
96.60757	4.9
97.06587	9.1
98.21912	5.8
99.00889	5.7
100.00442	10.6
114.11642	4.2
116.02554	4.3
143.02541	4.5
143.03569	8.6
144.04581	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	144.0458
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.93108	0.9
59.68363	1.0
61.98855	1.3
71.25553	1.7
87.00871	1.2
94.73149	1.0
99.00926	1.0
99.92617	2.7
116.05074	2.6
126.03554	1.5
143.86531	2.0
144.04573	100.0
145.02989	1.1
145.04959	9.6
154.16417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
68.72623	0.3
69.07355	1.8
69.07759	0.6
74.17451	0.3
74.96434	0.2
98.22552	0.6
115.19213	0.3
116.05085	2.7
117.03506	0.7
126.03529	1.7
139.19707	0.2
142.02971	0.5
144.04568	100.0
145.04926	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	144.0458
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
52.11568	0.3
66.33167	0.3
68.77853	0.3
70.77855	0.9
77.95930	0.3
81.03469	0.4
83.05027	0.6
101.06096	0.5
116.05091	4.5
117.03506	0.4
117.04578	0.4
117.05383	0.5
126.03490	1.7
142.02997	0.9
144.04570	100.0
145.04950	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	145.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30778	2.7
55.01876	3.3
57.03441	3.9
58.02978	8.2
59.01377	7.5
65.91866	2.9
68.66099	2.7
71.01382	20.7
72.00888	5.2
72.99323	5.7
73.02951	4.9
74.02494	16.1
78.34776	2.4
83.01392	5.7
84.04574	18.5
86.02464	4.7
87.00855	15.5
98.02504	3.7
99.00891	3.4
101.02470	14.1
101.07218	7.4
101.32097	2.8
102.05619	100.0
107.02539	4.3
109.04078	11.8
110.47463	3.0
115.00373	9.9
117.30042	2.7
125.03584	3.8
127.00465	5.7
127.04368	3.5
127.05167	35.5
128.03561	45.5
137.21590	2.7
145.01395	4.9
145.06213	13.3
146.04588	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	145.0622
Annotation	Glutamine Analogue, 1
Peak:m/z	Relative Intensity
57.40233	2.4
58.02985	9.5
58.34344	2.5
60.57987	2.6
62.27420	2.9
67.03016	6.6
69.78737	2.7
70.02988	3.8
72.00909	6.5
72.83085	3.3
74.02492	24.8
74.74638	2.4
76.22770	2.3
82.03002	7.3
84.04561	37.4
84.83798	2.8
86.02499	7.9
89.23101	2.8
98.02491	4.2
99.05687	2.8
101.07207	18.4
102.05627	100.0
107.02528	6.0
109.04096	26.0
125.03613	7.5
127.05161	71.0
128.03574	60.5
128.05542	2.8
144.87018	4.1
145.06224	30.1
146.04626	10.8
161.01007	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	145.0621
Annotation	Glutamine Analogue, 1
Peak:m/z	Relative Intensity
58.02973	14.5
66.38811	2.8
67.03022	5.0
69.24211	20.8
69.24619	5.8
70.02982	2.9
72.00916	8.0
74.02489	25.2
82.02984	12.8
84.04558	44.0
85.02961	3.2
86.02502	8.4
88.04036	3.3
97.04105	3.4
99.05676	3.8
101.07230	15.1
102.05626	100.0
107.02547	3.8
109.04088	25.4
125.03570	9.6
127.05147	63.5
128.03557	62.8
128.05484	6.0
145.06203	36.4
146.04602	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	146.0463
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
59.01408	1.1
70.37123	3.0
71.01395	1.5
74.02484	1.2
82.02962	1.1
85.02972	1.9
85.04933	1.3
94.29025	0.9
100.04099	1.1
101.02568	0.9
102.05630	100.0
103.05965	4.8
127.14415	0.8
128.03568	35.8
128.05544	2.7
129.03941	2.9
146.04642	8.9
146.06514	1.7
146.86734	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54187	0.9
57.03448	1.4
59.01390	4.7
61.74413	0.9
63.86506	0.9
66.17351	1.1
66.22242	0.8
69.49359	1.7
69.49766	4.2
71.01398	6.2
74.02463	1.6
75.00874	1.8
80.25968	0.8
84.04533	1.3
85.02943	1.9
87.00875	2.0
99.00895	2.0
101.02393	1.1
102.05617	100.0
103.05978	3.0
123.41367	0.9
128.03555	28.2
129.03885	2.1
146.04590	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54187	0.9
57.03448	1.4
59.01390	4.7
61.74413	0.9
63.86506	0.9
66.17351	1.1
66.22242	0.8
69.49359	1.7
69.49766	4.2
71.01398	6.2
74.02463	1.6
75.00874	1.8
80.25968	0.8
84.04533	1.3
85.02943	1.9
87.00875	2.0
99.00895	2.0
101.02393	1.1
102.05617	100.0
103.05978	3.0
123.41367	0.9
128.03555	28.2
129.03885	2.1
146.04590	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	147.0301
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
57.03185	2.0
57.03453	28.9
59.01385	9.9
65.84875	1.2
70.87978	2.9
71.01385	2.9
71.05012	4.3
72.99301	8.1
73.02946	12.1
75.00868	1.7
85.02960	92.0
86.03291	3.4
87.00884	100.0
88.01208	2.8
99.00867	2.5
101.02456	7.9
101.06077	3.3
103.04020	14.0
124.92747	1.7
129.01961	21.6
133.64201	1.6
146.96205	1.5
147.03008	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	147.0301
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
50.96214	1.3
52.57074	1.3
57.03460	24.7
59.01387	9.8
69.04613	3.6
69.05026	9.7
71.01379	2.9
71.05013	2.4
72.99329	6.8
73.02956	7.2
78.17125	1.2
85.02962	76.7
86.03303	3.2
87.00885	100.0
88.01217	3.6
93.45071	1.4
99.00890	1.7
101.02447	4.9
101.06078	2.5
103.04015	12.6
113.71190	1.4
129.01956	20.0
143.46971	1.4
147.03020	21.7
148.68874	1.5
169.97127	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	147.0302
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03456	34.2
59.01380	18.8
71.01391	24.4
72.99325	11.8
73.02940	14.7
75.00887	6.1
85.02965	100.0
87.00891	94.4
95.33032	5.2
101.02451	9.0
103.04066	20.7
103.05939	8.5
115.00396	10.5
129.01970	32.2
147.01961	7.4
147.03032	20.1
151.95526	4.2
166.30159	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	147.0456
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
69.05730	100.0
71.01373	23.1
81.83789	9.6
103.05595	11.8
147.04544	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08230	1.0
55.01875	2.4
55.56771	1.1
57.27017	1.0
59.01376	8.6
59.98203	1.2
61.25166	1.1
68.50215	1.2
69.03455	2.8
71.01390	34.7
71.10028	1.5
72.01727	1.4
72.99296	1.5
73.02951	26.2
74.03277	1.7
75.00867	5.2
75.64894	1.0
87.00889	11.1
89.02454	100.0
90.02812	1.6
101.02444	1.9
103.04038	4.8
110.52423	1.1
131.03500	10.3
149.04587	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	xylulose
Peak:m/z	Relative Intensity
55.01868	1.6
59.01390	9.6
62.72245	1.5
69.03449	2.0
69.60281	8.0
71.01392	33.1
73.02963	21.7
75.00872	5.5
75.94545	1.3
80.20051	1.4
85.02972	2.4
87.00890	13.0
89.02456	100.0
90.02774	2.3
101.02451	1.9
103.04031	5.2
131.03543	9.5
149.04573	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.061
Annotation	m-CRESYL ACETATE
Peak:m/z	Relative Intensity
59.01375	0.8
69.63796	3.2
93.03481	2.1
94.99332	2.3
102.04765	0.7
104.97772	0.9
106.04210	0.6
108.02170	3.2
121.02964	2.7
122.03755	5.9
124.01655	1.1
129.03490	0.9
130.04251	1.3
131.05075	1.2
134.03764	1.5
137.02504	1.9
147.04546	7.8
148.05344	15.1
149.06100	100.0
150.00206	2.0
150.06499	7.4
151.05563	0.6
152.99796	0.6
154.02734	1.9
157.02444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0404
Annotation	Vanillin
Peak:m/z	Relative Intensity
57.64145	0.2
57.71096	0.2
66.03477	0.4
69.03456	0.3
79.01894	0.3
89.02470	0.3
95.01410	1.8
96.02545	0.2
97.02959	0.3
98.22617	0.4
98.65417	0.2
107.01392	0.3
107.05045	0.2
108.02188	7.6
108.04548	0.3
108.84024	0.2
122.03738	0.4
123.00888	0.4
123.04553	0.5
136.01682	100.0
137.02013	5.1
151.04034	6.8
151.05069	0.2
151.07654	0.2
152.03474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0356
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
57.88801	0.8
66.03500	1.6
70.42332	2.3
108.02193	2.4
108.04572	2.2
109.02969	18.2
121.02979	1.6
122.03761	47.2
123.00889	1.1
123.04118	2.8
137.02046	2.2
152.03554	100.0
153.01993	4.7
153.03935	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	153.0197
Annotation	3,5-DIHYDROXYBENZOIC ACID
Peak:m/z	Relative Intensity
57.14706	1.7
59.62810	1.8
66.03499	2.9
67.03027	4.9
68.99820	2.9
71.25626	2.9
72.00909	5.5
72.99315	8.9
78.95970	1.7
80.03786	4.5
81.03461	6.3
81.04594	6.5
82.02991	3.4
83.01424	4.1
83.05050	2.1
93.04603	38.6
95.01429	2.5
96.99345	3.6
97.02979	2.6
102.97459	1.6
108.02210	4.4
108.05678	4.5
109.02968	59.7
109.04101	4.3
109.06580	2.0
110.00115	100.0
110.07240	8.9
110.92639	2.8
111.00461	3.4
118.04108	3.0
119.85723	1.7
123.00887	2.2
124.04053	2.1
125.02477	31.3
135.04477	2.5
136.05193	3.5
137.03583	23.5
137.99605	43.7
138.03235	2.6
151.00389	2.8
153.01959	45.7
154.05077	2.5
154.06242	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57931	1.2
55.01893	1.7
57.14292	1.1
61.98830	3.9
68.01432	1.2
68.75013	1.4
71.28297	1.4
81.03439	1.2
82.02988	5.4
83.01383	3.7
83.05015	1.7
91.93439	1.2
93.03483	5.7
95.05038	17.8
96.96022	6.7
110.03314	3.7
111.04536	1.7
124.01672	1.4
127.93165	2.6
139.04031	100.0
140.04375	5.1
153.86888	67.3
154.01408	7.0
154.05154	2.4
154.06363	18.3
154.86902	2.6
154.90675	1.8
154.99855	1.4
155.67929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9989
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01885	100.0
56.02233	2.6
67.01890	1.5
70.41994	4.3
71.01389	11.3
83.01393	39.7
84.01755	1.4
85.10264	1.3
89.65266	1.3
90.76919	1.3
93.03498	3.5
99.00886	2.0
111.00916	2.2
111.04527	2.2
114.05624	3.8
127.00397	15.5
154.99892	51.3
156.00211	1.6
156.06741	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	100.0
57.82658	2.6
69.27631	2.6
71.01381	7.0
71.28662	3.2
73.02996	2.8
76.99610	2.8
83.01408	37.5
87.00900	2.8
93.03460	9.9
108.12114	2.6
127.00375	9.6
131.64590	2.8
154.99878	43.1
155.10733	3.3
156.00278	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	154.9989
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.40078	2.7
55.01884	100.0
56.02210	3.7
59.01371	3.3
70.80347	8.2
71.01390	9.6
83.01399	34.9
83.05024	4.3
84.00903	4.9
85.02937	3.6
93.03470	29.3
98.00112	5.8
111.00927	5.4
111.04557	5.3
111.08146	6.1
127.00394	13.4
127.93179	8.4
154.99873	45.4
155.07141	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	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.59843	2.1
50.85661	2.7
55.01885	100.0
55.95660	2.5
65.04801	2.9
69.07053	22.4
71.01385	10.2
73.02942	2.9
83.01403	31.7
86.25867	2.2
93.03478	6.5
113.06129	3.0
127.00385	11.2
154.99886	50.8
172.40198	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	157.0508
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.02174	0.6
59.01377	1.7
69.03430	0.7
69.08472	6.0
79.23978	0.6
84.99339	0.7
113.06104	100.0
114.06427	3.0
127.00407	1.1
135.69377	0.7
157.01463	0.7
157.05057	6.4
157.08723	1.5
157.12372	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01725	1.5
63.30093	0.4
69.17934	3.4
71.01406	1.0
72.99317	0.5
73.02957	1.5
74.99371	0.4
80.18745	0.4
85.03001	0.7
87.00880	1.1
98.22506	1.0
99.92612	0.8
101.02487	0.4
115.02545	5.3
116.02641	0.6
116.92873	2.0
116.98692	1.3
117.00465	10.7
117.12399	0.4
117.95541	7.2
117.96326	0.6
118.00528	0.6
129.01990	1.2
132.06989	0.5
137.01743	0.4
142.99362	0.5
158.84734	0.7
158.89348	0.5
159.01549	5.9
159.03062	1.5
159.89438	0.5
159.96622	1.6
160.01747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03628	1.6
65.03971	30.4
67.01881	2.3
69.67678	3.3
69.68087	4.8
80.44064	1.8
81.03475	4.2
87.64032	1.4
88.42664	1.6
91.05559	2.0
102.04758	4.3
103.05547	5.5
111.73159	1.5
115.05566	6.1
116.92855	3.8
117.07130	11.7
128.07910	1.6
129.07123	2.6
130.04240	4.0
131.05046	4.4
131.08681	6.2
141.07143	2.5
143.05043	7.1
144.05830	4.1
157.06586	7.1
159.08173	100.0
160.08521	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	159.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06808	1.4
65.03969	35.2
67.01881	2.6
67.09240	1.4
69.68552	8.4
79.02651	1.6
79.05567	1.4
81.03446	7.3
83.56263	1.6
89.94875	1.5
91.05552	2.3
99.92487	1.6
102.04758	2.5
103.05536	4.4
107.51101	1.6
115.05551	7.2
116.92894	1.7
117.07112	11.4
129.07112	3.3
131.05029	4.8
131.08673	6.2
135.93964	1.4
141.06999	1.7
143.05042	6.7
144.05777	3.4
157.06590	7.6
159.08176	100.0
160.08534	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	161.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.7
57.03457	2.8
58.00594	0.5
59.01390	8.8
69.03448	0.8
69.19001	4.5
71.01389	10.4
72.99319	2.1
73.02957	5.8
75.00868	1.0
77.03991	1.2
81.03446	2.5
83.01390	3.3
85.02961	13.8
87.00896	1.9
89.02454	2.6
89.03983	1.3
95.01405	0.7
95.05029	0.8
97.02950	0.8
99.00945	0.7
99.04538	1.2
101.02431	1.2
104.02699	1.1
105.03477	2.5
107.63842	0.6
113.02483	1.4
115.01894	1.8
115.04012	0.9
116.92892	1.1
117.03521	0.8
118.03014	0.9
125.02519	0.6
129.01935	0.6
131.03514	6.3
132.02182	12.6
133.02977	100.0
134.03308	5.1
146.03793	1.0
160.01747	0.9
160.89291	1.7
161.02470	58.6
161.04601	8.5
161.06075	1.4
162.03059	2.7
162.05606	0.8
164.59834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0247
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
55.01891	0.2
57.03446	0.5
58.76487	0.2
59.01385	2.0
65.00320	0.6
68.98754	2.1
71.01389	2.7
72.99297	0.2
73.02952	1.3
75.00865	0.2
76.35892	0.2
77.03988	0.2
81.03479	0.4
83.01392	0.7
85.02966	2.5
85.17708	0.2
87.00867	0.3
89.02487	0.3
89.03979	1.5
95.04995	1.2
95.41616	0.2
101.02441	0.6
105.03455	0.8
113.02483	0.5
117.03482	3.8
119.97684	0.2
123.04544	5.1
131.03528	0.7
133.02975	20.2
134.03326	0.9
161.02464	100.0
161.09644	1.0
162.02823	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	161.0247
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
57.03435	3.0
58.00582	1.2
59.01389	10.4
63.02407	13.5
65.00336	13.5
65.54734	0.8
69.41562	6.6
71.01388	10.7
72.99300	1.2
73.02955	4.8
77.03963	3.4
81.03477	1.9
83.01401	3.3
85.02959	10.5
87.00897	1.3
89.02464	2.7
89.03972	1.2
93.03477	3.1
94.58565	1.0
95.05040	29.1
96.05388	1.6
97.02973	1.7
101.02466	1.4
105.03474	52.1
106.03847	1.2
113.02464	2.3
117.03446	2.0
118.03036	0.9
119.34922	1.2
121.02985	2.9
131.00264	0.9
131.03511	5.0
133.02974	100.0
134.03293	4.5
136.78641	0.9
146.03738	3.3
160.84210	7.2
160.89313	1.1
161.02475	36.1
161.04529	9.6
161.05968	2.1
162.02969	3.1
172.09184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	9.0
57.03452	25.7
58.00591	3.8
59.01388	62.0
69.03462	7.2
70.19714	7.5
70.20097	11.9
71.00998	4.5
71.01392	92.2
71.05032	42.4
72.01719	4.3
72.99319	8.8
73.02956	52.4
81.03470	10.1
83.01414	16.1
85.02964	77.0
85.04932	4.0
87.00887	69.0
88.04060	11.2
89.02451	4.8
89.03826	4.9
89.04423	13.2
95.01421	12.8
97.02966	9.8
99.00910	14.0
99.04533	68.5
101.02456	100.0
102.02779	4.5
113.02471	16.3
115.04031	11.7
117.05602	11.5
125.02518	4.1
131.03474	17.4
131.05493	5.6
133.03024	4.3
137.04018	3.4
137.05128	3.4
143.03514	31.2
161.04590	94.4
162.01942	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	161.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	11.7
55.57323	2.5
57.03446	14.0
59.01385	60.5
69.03481	5.1
71.01391	100.0
71.25724	5.3
72.99275	2.9
73.02954	30.1
75.05793	2.8
81.03472	3.3
83.01405	14.0
85.02477	5.7
85.02966	69.4
87.00871	7.1
89.02457	8.8
95.01418	9.4
97.02988	4.5
99.00908	8.9
101.02449	22.3
113.02461	15.3
116.40108	2.8
131.03500	12.8
132.98218	3.9
133.02913	3.2
141.27757	3.0
159.02956	3.1
161.04575	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	(1R,3R,4S,5S,8R)-2,6-dioxabicyclo[3.2.1]octane-3,4,8-triol
Peak:m/z	Relative Intensity
52.61665	7.9
55.01851	10.2
57.03453	16.1
59.01379	83.0
70.26831	31.5
71.01383	99.7
73.02945	68.8
83.01385	33.6
85.02951	100.0
95.01403	18.7
101.02425	17.3
106.53125	8.0
113.02451	30.6
131.03482	20.6
141.92361	9.6
148.25981	8.5
151.44467	9.5
161.02425	11.4
161.04538	29.3
161.09735	20.7
162.01955	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	162.0326
Annotation	Benzoylacetate
Peak:m/z	Relative Intensity
50.59954	1.1
51.27956	1.0
59.01358	1.4
65.88538	1.0
70.96088	1.0
71.26807	1.2
71.49775	1.1
73.02969	1.2
88.01953	1.2
91.01914	2.5
93.03466	2.3
105.46531	1.0
106.04250	4.3
114.17664	1.2
115.92103	2.4
118.03008	4.0
119.01371	1.6
119.05043	100.0
120.02162	2.7
121.02992	2.8
123.04501	3.6
133.02953	4.7
134.03767	21.8
134.06192	1.4
135.00851	1.4
135.04576	5.7
136.92860	1.2
145.02972	2.0
147.03308	1.1
152.28024	1.1
161.02457	6.5
162.01997	8.3
162.03235	78.0
162.05533	3.5
162.82584	2.3
162.83919	22.9
162.89365	1.5
163.00388	2.7
163.04044	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16039	0.7
55.01879	3.7
55.53188	0.8
57.03462	5.2
59.01350	0.9
67.33849	0.8
71.01384	2.8
71.26500	0.9
72.00923	7.3
72.99322	4.0
73.02962	1.9
80.50021	0.7
83.01392	3.2
85.02938	0.9
91.01878	1.2
93.03471	2.5
99.00894	55.8
100.01213	2.2
101.02455	12.2
117.01956	24.2
119.05043	100.0
120.05389	5.3
121.02923	1.9
134.03810	0.9
135.04553	2.4
145.01448	92.3
146.01779	2.7
147.04539	16.2
148.05272	0.9
156.64194	0.7
162.83902	2.8
162.89265	0.8
163.00369	2.8
163.02492	16.0
163.04016	9.0
163.06111	1.0
164.03543	1.3
164.07156	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	163.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
69.42778	1.7
69.43185	1.3
72.00909	1.4
75.30447	0.5
79.50083	0.5
93.03459	3.0
117.03512	0.8
119.05043	100.0
120.05377	5.3
121.02965	0.9
134.03735	0.8
135.04567	1.4
147.04538	4.3
163.00439	0.7
163.04025	11.6
164.07204	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
70.61130	1.2
76.12596	0.4
93.02957	0.4
93.03442	2.5
119.05043	100.0
120.05378	5.5
122.09534	0.4
135.04549	0.9
147.04518	0.6
163.04030	8.8
163.05261	0.9
181.46883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
75.48939	0.2
79.45827	0.2
91.05540	0.3
92.05046	0.5
93.03460	1.5
100.32082	0.2
110.22154	0.2
117.03484	0.3
119.05041	100.0
120.04581	0.4
120.05363	4.9
121.02995	0.4
147.04518	0.6
152.11932	0.2
162.89386	0.3
163.04012	6.3
163.06117	0.2
163.07613	0.4
163.11310	0.4
164.03423	0.2
164.92607	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36769	0.6
69.51740	2.9
91.05511	1.1
93.03477	2.8
116.81799	0.6
119.05042	100.0
119.11901	0.6
120.04609	1.0
120.05373	5.4
135.04521	0.8
136.67140	0.6
149.78519	0.6
163.04025	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	163.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01927	0.4
69.66959	1.9
73.53445	0.4
81.57957	0.4
91.05536	1.3
93.03487	1.5
98.22459	0.7
118.22731	0.5
119.05042	100.0
120.05380	6.2
121.02991	0.5
134.03748	0.5
135.04553	1.0
147.04489	0.4
148.01642	0.8
148.62207	0.4
151.82901	0.4
162.83911	1.4
163.04008	6.3
163.06175	0.6
163.07639	0.4
176.02666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1123
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
56.81272	2.1
69.52363	5.1
69.52769	5.5
78.48114	2.3
80.07978	2.0
93.73265	2.1
98.03554	1.8
103.85941	2.0
116.92120	4.5
119.05053	13.2
131.15611	2.0
140.61841	2.1
142.05583	1.7
142.92392	1.9
162.83919	24.4
163.11305	100.0
164.11674	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	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.72440	0.4
61.33996	0.5
61.91903	0.5
71.28507	0.8
71.46984	0.4
72.00930	0.8
80.05069	3.3
85.86362	0.5
89.43356	0.5
93.03465	0.6
96.04584	0.8
108.08215	1.7
109.02978	0.7
117.03465	0.7
120.04550	1.9
120.05390	4.0
121.02969	11.6
121.05367	3.0
123.04527	0.5
124.04046	1.1
135.03296	0.8
136.04095	2.5
136.07704	18.2
137.02472	0.6
137.04865	2.8
137.08075	0.7
147.04532	3.2
149.01054	1.0
149.04831	4.3
150.03235	1.1
152.03633	0.9
153.04332	2.2
164.03557	7.2
164.07187	100.0
165.01942	0.9
165.07610	5.1
181.03822	6.1
182.04224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0721
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
69.37843	3.9
69.38252	1.6
72.00925	45.5
79.21710	0.8
91.05548	3.0
93.02100	0.8
103.05561	4.2
119.05038	2.4
121.02938	1.1
127.72289	0.8
134.89168	1.0
147.04555	100.0
148.04930	5.1
164.07205	41.0
165.07590	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	165.0196
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
51.44654	0.5
51.59386	0.5
53.91671	0.4
55.10017	0.5
59.01373	1.9
67.01884	0.7
69.44382	1.0
69.44788	1.6
71.01381	1.4
72.99297	1.3
75.00882	13.3
77.03964	1.1
84.65141	0.4
87.00887	3.9
93.03452	3.7
95.01438	0.6
98.22558	0.9
104.95251	0.5
105.01920	2.5
108.02161	1.0
109.02962	0.6
119.05044	0.9
121.02972	100.0
122.03271	5.2
122.06139	0.7
123.05634	0.8
129.01987	2.8
136.01680	0.8
137.02487	1.5
149.00961	2.1
150.03223	1.6
151.00377	0.9
164.83635	0.9
164.89867	0.5
165.01956	7.8
165.04065	6.0
165.05563	1.6
165.09131	0.7
166.01443	1.2
166.05122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Lyxonate
Peak:m/z	Relative Intensity
57.03448	2.8
59.01388	8.2
64.51830	0.5
67.01891	1.0
68.99831	0.5
69.03603	1.9
69.04022	3.4
71.01398	4.6
72.99318	9.0
75.00881	100.0
76.01209	1.4
77.03966	2.7
85.02972	3.4
87.00877	5.8
89.02455	2.4
93.03496	1.0
99.00898	2.9
101.02451	1.1
108.02197	0.7
119.04987	1.4
121.02972	39.9
122.03352	1.9
129.01952	13.9
137.02475	1.4
147.03020	0.9
147.04535	2.6
149.00978	1.5
150.03249	1.5
150.72232	0.5
151.00418	0.9
165.02032	4.3
165.04070	30.5
165.05444	1.1
166.01477	1.6
166.05199	0.9
182.23386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
58.97803	0.6
64.14807	0.6
66.03484	1.0
67.57071	0.6
70.16254	1.3
70.16618	1.1
70.20579	0.6
72.99287	0.8
75.00866	1.0
79.95734	0.9
80.05092	0.9
82.02984	1.0
87.00907	1.3
88.01242	1.3
92.05083	3.8
93.03453	0.6
94.02981	1.8
95.01389	2.1
97.02917	0.6
104.05099	1.1
105.01871	0.6
106.02271	0.7
107.03821	0.9
108.02196	4.4
108.04568	100.0
109.01671	0.6
109.04898	3.2
110.02507	1.5
110.06158	0.8
116.79707	0.9
120.04578	7.5
122.02491	2.1
122.03323	1.7
122.06141	3.6
123.00906	1.6
123.03258	1.7
123.04559	3.0
124.01656	0.8
124.04046	2.3
124.98454	2.8
136.01741	1.1
136.04070	11.4
136.05165	1.1
138.05627	97.3
139.05994	5.5
148.04068	2.8
151.00415	2.2
151.02652	1.2
152.01154	6.5
152.03584	1.7
166.01453	3.6
166.05116	44.7
167.02316	0.5
167.03412	3.2
167.05699	1.0
190.00165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
66.03478	0.5
69.54097	2.0
93.03486	1.0
95.01414	0.8
98.22523	0.4
108.02199	1.7
112.28896	0.3
121.02978	14.5
122.02522	0.4
122.03280	1.7
122.06143	0.6
123.00922	0.8
123.04546	0.8
124.04038	0.4
124.98473	1.9
136.01749	0.8
136.05318	12.0
137.05669	0.6
139.07405	0.4
151.00340	0.7
151.02765	21.8
152.01146	2.3
152.03105	1.0
152.04739	0.3
165.83742	0.6
166.01474	2.8
166.05115	100.0
166.83377	0.6
166.99568	0.7
167.03589	1.0
167.05441	4.8
168.36821	0.3
183.01747	14.9
184.02156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
71.27946	1.0
75.17567	0.6
94.03008	0.8
95.01417	1.2
95.95521	0.8
108.02183	4.2
121.02913	0.7
121.05344	1.1
122.03309	2.1
122.06132	1.5
123.00885	1.6
123.04500	1.6
124.04027	0.9
124.98439	4.1
125.02489	0.7
125.51516	0.7
135.04549	1.2
136.01682	2.4
136.04219	1.0
136.05315	29.9
137.05692	1.7
151.00395	2.0
152.01178	4.6
166.01460	4.2
166.05112	100.0
166.83331	2.2
166.99425	0.9
167.03580	2.9
167.05460	5.7
183.81218	0.7
185.60646	0.6
189.91919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	2-amino-2-(4-hydroxyphenyl)acetic acid
Peak:m/z	Relative Intensity
60.99296	2.4
63.02411	3.9
68.68923	2.9
69.34487	13.8
69.34901	4.4
77.23649	2.8
81.60035	2.3
85.25851	2.4
95.01371	3.4
107.50733	2.8
108.02207	13.5
121.02946	6.3
121.05316	3.4
122.02512	2.4
122.03310	9.4
122.06154	5.5
123.00864	6.4
123.04565	5.7
124.98434	18.7
133.01753	2.7
136.01686	10.0
136.05305	24.5
151.00381	5.4
152.01183	19.1
157.70702	2.7
165.83719	8.9
166.01521	20.1
166.03741	5.8
166.05130	100.0
166.83366	16.8
167.03574	9.7
167.05484	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	167.0354
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
70.77692	1.6
78.95911	0.8
80.02704	1.2
91.01915	1.6
95.01414	1.7
95.05025	0.9
96.04590	0.7
108.02198	59.9
109.02513	1.4
121.03004	1.0
123.00921	2.4
123.04554	15.4
124.01653	1.4
125.02489	1.1
132.86821	0.9
146.50009	0.8
152.01183	100.0
153.00533	1.7
153.01695	3.9
166.83330	1.5
167.03529	18.5
168.03041	1.4
168.06703	1.0
179.30676	0.7
181.07062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
58.67646	0.9
59.18032	0.9
59.75537	0.9
65.00331	6.6
65.59982	0.8
67.01843	0.9
68.40429	0.8
69.03453	1.2
69.15294	7.0
80.02669	1.3
81.03472	2.5
83.01392	1.1
91.01906	36.6
93.89256	0.9
95.01396	3.4
97.37985	0.8
108.02190	67.2
109.02458	2.1
111.00894	4.0
121.02981	1.8
122.03706	0.9
123.00894	4.1
123.04545	70.5
123.08170	3.4
124.01685	3.8
124.04860	5.1
125.02496	1.3
139.00417	1.2
152.01173	100.0
152.04811	2.4
153.00517	2.0
153.01526	3.8
167.03516	34.7
167.07201	2.2
167.10771	2.6
168.03926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02071	0.5
58.21019	0.4
61.84240	0.4
66.03461	0.6
68.99831	0.6
69.03448	0.9
70.18789	0.4
71.28024	0.7
83.05046	0.6
89.06168	0.4
91.10133	0.4
95.01408	4.3
97.02966	1.4
101.06105	1.7
107.05041	0.5
123.00903	19.2
125.02470	5.5
125.09752	0.8
126.02010	0.6
142.45612	0.4
149.90057	0.5
153.00699	100.0
154.01077	3.5
167.87131	1.2
168.03056	13.2
168.06683	0.8
169.01425	1.6
169.02913	0.4
169.12340	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15673	1.1
50.52998	1.0
58.02982	100.0
61.98820	3.9
66.03494	1.4
69.03453	2.0
69.50005	4.0
69.50424	2.5
70.02990	1.3
82.06576	0.9
82.95418	3.5
96.04543	1.2
97.02950	2.6
122.89419	1.8
123.00883	6.0
125.02471	17.5
125.09774	1.8
125.98509	3.3
126.02026	1.7
126.90324	1.6
132.86806	10.6
153.00702	23.4
167.87128	10.0
168.03049	4.9
168.13872	6.1
168.83752	1.1
168.91449	1.3
169.01442	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	169.0509
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
57.80416	1.0
61.81374	0.9
65.00336	1.2
69.03443	1.5
69.21882	8.6
69.30835	1.0
74.49935	0.9
81.03479	1.3
83.01371	2.4
97.02974	3.5
98.22472	2.4
98.48984	1.1
99.00893	1.1
107.05041	2.6
111.00919	19.9
113.02487	1.6
125.02470	15.4
125.06110	3.2
125.09750	3.6
125.99677	1.4
126.02754	1.0
126.90411	4.5
126.98908	2.9
132.08170	1.2
138.02077	1.4
139.00407	100.0
140.00749	3.0
141.99997	1.5
151.00397	3.3
153.01993	1.5
153.99100	1.3
154.02756	33.7
155.03061	1.4
168.83662	6.8
168.91394	1.4
169.01451	9.3
169.05165	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	169.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
67.01897	0.8
70.44920	1.9
83.01402	1.5
97.02976	1.5
97.06570	0.8
107.05059	2.3
111.00896	32.0
112.01278	1.0
113.02463	0.9
125.02467	9.9
125.06107	1.6
125.09744	2.2
126.90369	3.3
132.86810	0.9
134.86555	2.2
139.00394	100.0
140.00705	4.2
153.01961	3.4
154.02734	39.2
155.03094	1.9
157.25328	0.6
168.83606	5.2
168.91368	0.7
169.01485	5.8
169.05087	4.3
169.08731	0.7
172.72212	0.7
186.39848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1026
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.40383	2.9
62.33745	2.7
65.00317	2.8
65.03973	100.0
68.43826	3.0
68.99811	5.1
69.03449	6.0
70.18916	5.7
70.19307	4.8
81.39532	2.9
89.03986	31.6
91.05582	5.0
96.65269	2.9
98.21880	3.2
107.05043	6.7
110.02469	2.9
115.05579	5.9
122.89423	4.6
125.02467	63.7
125.09741	12.1
126.90387	6.5
126.98232	5.1
128.06317	5.8
132.86761	3.0
134.86571	6.0
141.99867	5.2
150.03149	2.8
153.07014	4.8
154.01065	5.4
154.07907	20.6
162.20921	3.0
163.62340	3.2
167.08659	7.0
168.83612	6.2
169.01430	25.3
169.08765	5.0
169.10225	55.0
169.86775	7.6
170.10493	3.8
187.49181	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
59.01376	1.2
61.98826	2.4
69.27991	3.5
69.28411	3.8
78.95906	0.9
98.21795	2.0
99.92594	10.3
124.89092	1.5
125.09730	3.4
127.03950	0.9
127.07675	2.4
127.11286	8.4
128.90074	1.6
136.86261	1.4
142.99995	1.2
153.09290	2.5
170.88365	1.9
171.02060	7.9
171.10289	100.0
171.91023	1.3
172.10629	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	171.1029
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
51.36505	2.7
59.01383	5.1
61.98819	7.8
69.38038	7.8
69.38461	12.4
81.04558	3.5
90.89380	2.7
99.00893	4.3
99.92595	17.9
109.35476	2.9
121.27105	2.9
125.09691	6.4
127.03969	2.7
127.07615	7.9
127.11320	10.0
128.90085	5.1
130.08755	5.5
136.86348	5.4
170.83385	4.5
170.88364	10.1
171.02031	40.0
171.06769	3.4
171.10283	100.0
171.13852	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	171.1029
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
59.01376	2.1
62.04346	1.1
63.29092	0.8
64.87877	0.9
67.11443	0.9
68.29391	0.9
69.00021	10.8
71.01383	1.1
78.23933	0.9
79.94322	1.0
98.22553	1.6
99.00847	1.1
99.92586	6.3
100.01089	0.9
103.79974	0.9
109.02916	1.4
125.09718	3.9
127.07648	5.9
127.11320	9.1
153.09200	1.8
167.26326	1.0
170.83330	4.2
171.02010	14.4
171.10287	100.0
171.13878	5.6
171.91019	1.4
172.10626	5.7
179.84782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00304	2.4
55.01883	9.1
57.03455	6.6
59.01389	7.3
67.01894	12.1
67.04496	1.2
68.99821	3.8
70.68918	3.0
71.01389	100.0
72.65965	1.4
72.99319	15.0
73.02951	16.1
83.01395	9.6
83.05025	6.5
85.02959	54.2
85.06593	1.9
87.00890	8.0
93.03470	49.9
96.99331	5.2
99.00891	34.3
99.04537	3.8
101.02425	3.0
111.00899	58.0
111.04527	17.2
112.01204	1.6
112.98828	29.2
115.00389	6.0
124.98814	31.1
129.01996	10.3
137.02470	4.5
140.98236	1.5
142.99887	55.8
144.00180	2.0
154.99873	6.1
155.03517	6.7
173.00926	11.3
173.04546	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00308	4.6
55.01884	7.9
57.03431	4.2
59.01387	9.0
64.38162	1.7
67.01884	5.8
68.99833	3.2
69.03448	2.0
69.37685	13.1
70.46452	2.1
71.01391	100.0
72.01703	3.5
72.99312	8.2
73.02950	9.3
74.02480	3.7
79.05338	1.8
80.99827	1.9
83.01380	9.1
85.02957	20.1
87.00888	8.4
88.45174	1.8
93.03465	17.1
96.99312	4.0
99.00889	38.3
111.00893	25.4
111.04491	5.4
112.98824	37.6
112.99715	2.7
112.99931	2.9
115.00391	5.8
122.34763	1.9
124.98819	36.7
129.01930	4.8
129.10384	5.8
131.08287	47.9
140.98383	3.5
142.99878	91.0
144.00253	2.1
155.00005	2.0
173.00911	9.3
173.04559	3.1
173.09296	2.7
174.01003	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	173.0246
Annotation	Juglone
Peak:m/z	Relative Intensity
57.03445	1.1
58.00595	0.4
59.01377	1.5
60.99308	0.6
67.01896	5.0
69.03463	1.2
71.01392	2.9
71.05038	0.6
71.26795	0.3
72.99310	0.5
73.02957	4.8
81.03468	1.1
83.05027	2.4
85.02979	1.7
87.00886	0.7
87.08874	0.3
93.03469	27.8
94.03830	0.8
99.00882	2.0
99.04530	1.5
101.02440	0.6
101.03988	2.4
109.02996	0.4
111.00905	2.9
111.04550	4.4
111.08164	0.8
130.06673	0.4
130.08754	0.4
131.09114	0.8
137.02426	2.1
141.13197	0.3
142.99918	0.4
144.04565	0.5
145.02971	100.0
146.03322	5.0
147.04454	0.4
155.03494	1.3
172.83096	0.6
173.02454	89.3
173.04558	8.8
173.11806	0.4
174.02809	5.8
174.05701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0456
Annotation	Shikimate
Peak:m/z	Relative Intensity
55.01880	1.0
57.03448	3.9
59.01382	6.1
60.99298	1.9
63.60921	0.6
65.03964	1.0
67.01543	1.3
67.01894	20.7
69.03475	4.0
71.01388	11.5
71.05014	0.9
72.99329	1.5
73.02953	9.2
80.29349	0.8
81.03465	4.2
82.14663	0.7
83.01400	0.9
83.05042	6.1
85.02959	4.1
87.00899	3.3
93.03467	100.0
94.03817	2.5
99.00889	3.9
99.04529	3.5
99.08330	0.7
109.02953	3.3
111.00902	6.8
111.04529	13.8
111.08186	1.7
113.02499	0.7
115.00373	0.7
127.04072	0.8
129.01944	1.6
130.08766	1.7
131.09087	5.9
137.02483	4.5
142.99910	0.9
144.04587	2.2
145.02982	5.0
146.06123	2.1
154.99863	0.9
155.03526	4.0
164.76175	0.7
173.02492	3.7
173.04567	78.4
174.05023	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	174.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16747	0.2
53.53740	0.2
57.03442	0.5
59.01385	100.0
60.01722	1.2
67.01902	0.4
68.99834	0.3
69.03468	0.4
69.36235	0.6
69.36660	0.9
71.01391	2.6
72.99312	2.6
73.02962	0.4
75.00876	0.3
81.03503	0.2
83.05022	0.3
85.02978	0.8
85.06598	2.8
87.00888	9.9
90.97147	3.8
91.05594	0.2
92.05099	0.6
93.03495	1.0
95.05050	0.4
95.87851	0.2
96.99347	0.3
99.44843	0.3
100.98804	0.5
101.02447	1.0
109.02977	0.3
111.04552	0.7
113.06096	2.3
115.00391	2.6
115.04036	0.6
118.96646	0.5
124.98837	0.9
127.97530	0.5
129.01959	0.3
129.05559	0.2
131.03638	0.2
132.98218	25.9
133.98625	0.4
134.03764	0.2
135.04547	4.0
157.01465	0.3
157.05133	0.3
157.07718	1.6
174.99269	8.0
175.02577	0.5
175.03918	0.4
175.06181	4.6
176.03616	0.7
176.06729	0.2
176.97182	1.1
179.03496	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	175.025
Annotation	5-Dehydro-4-deoxy-D-glucuronate
Peak:m/z	Relative Intensity
53.48010	0.4
59.01385	100.0
59.72434	0.5
60.01723	0.8
67.01891	0.5
68.99820	0.9
69.03483	0.8
70.00135	1.7
71.01388	5.1
72.99311	3.2
73.02969	0.8
75.00877	0.5
83.76512	0.4
85.02965	0.6
85.06601	2.4
87.00887	14.1
87.04520	0.5
90.97146	4.1
93.03489	1.5
96.99374	0.6
100.98806	4.1
101.02493	1.2
111.04546	0.6
113.02442	0.5
113.06089	2.6
115.00389	4.6
115.04095	0.5
118.96664	0.9
124.98843	1.8
127.97555	3.4
129.01945	0.5
132.98216	23.6
135.04538	6.2
135.05385	0.5
142.99901	0.6
148.98685	1.8
152.86313	0.5
157.05086	0.6
174.99254	7.4
175.02605	0.8
175.06198	4.7
176.03821	0.5
176.97235	0.7
179.03526	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	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03455	1.8
59.01386	42.1
60.01703	1.1
63.50260	0.9
69.03454	1.6
69.10407	2.4
69.10828	6.0
71.01400	2.0
71.05040	0.9
72.99321	0.8
77.54967	0.8
85.02962	1.8
85.06600	45.2
87.00892	3.1
87.04552	1.1
90.97162	1.8
93.03473	2.3
109.02959	0.9
113.06107	40.4
114.06465	1.6
115.00410	2.2
115.04027	100.0
116.04386	2.3
129.05626	1.4
131.07166	7.7
132.98216	9.1
135.04549	8.5
148.04247	1.0
157.05112	7.1
174.82848	3.4
174.89046	2.7
174.99281	2.7
175.06155	40.9
176.03615	1.2
176.06465	1.6
179.03549	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	175.0615
Annotation	alpha-Isopropylmalate
Peak:m/z	Relative Intensity
51.89985	0.3
58.29855	0.3
59.01392	39.9
60.01733	0.4
62.45186	0.4
69.03465	0.9
70.97034	0.4
70.97348	0.4
71.01396	1.5
72.99303	0.5
73.02968	0.6
83.05048	0.9
85.02967	0.9
85.06608	22.2
86.06935	0.8
87.00895	100.0
87.04529	6.4
88.01225	2.0
90.97143	1.1
93.03476	2.4
101.02473	1.9
111.04555	1.1
113.06116	16.1
114.06396	0.6
114.58282	0.4
115.00409	1.1
115.04073	0.4
124.98844	0.4
129.05605	3.0
131.07184	1.7
132.98222	10.0
135.04559	6.5
137.52354	0.4
146.89665	0.4
147.04547	0.6
151.92513	0.4
157.05104	1.6
157.76332	0.4
160.01639	0.4
171.22847	0.4
174.82848	1.0
174.88928	0.8
174.99246	2.9
175.06166	25.6
175.53537	0.4
176.03551	0.9
176.06522	1.2
176.97363	0.4
179.03542	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	177.0195
Annotation	5,7-Dihydroxycoumarin
Peak:m/z	Relative Intensity
54.07974	0.7
54.36904	0.6
57.94029	0.6
59.01374	1.0
64.40883	0.7
70.98257	0.7
71.01389	1.3
75.39841	0.8
77.03973	9.8
81.03454	0.8
85.02988	1.7
87.00887	0.9
89.02409	0.8
89.03974	4.4
93.03473	3.6
94.03848	0.9
95.05039	17.1
99.00888	1.3
105.03477	47.2
106.03791	0.9
108.02206	0.8
109.02979	0.8
121.02953	3.5
123.04530	3.9
132.02196	3.4
133.02977	100.0
134.03290	5.1
135.01025	0.8
135.04538	8.6
136.04878	6.1
149.02472	1.9
149.06107	1.4
162.03200	4.2
177.01926	9.8
177.05557	1.8
177.06889	0.8
177.09187	0.9
178.05083	1.1
179.03511	3.7
180.03862	4.2
186.45584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0196
Annotation	Esculetin
Peak:m/z	Relative Intensity
58.03944	0.3
59.01373	0.4
63.02409	2.8
65.00341	2.1
66.33899	0.4
67.01893	1.1
68.99791	0.6
69.16097	2.8
69.16489	0.7
70.20630	0.3
72.21709	0.3
77.03975	1.5
88.55843	0.3
89.00346	0.7
89.03982	4.8
91.01904	4.7
93.03461	1.0
95.05037	2.6
105.03476	5.0
107.01408	2.4
107.05051	0.3
109.02960	2.9
121.02972	2.3
123.04565	1.8
123.05355	0.5
127.45091	0.4
131.05081	0.4
133.02985	16.2
134.03687	0.4
135.00911	2.9
139.04083	0.3
145.33044	0.3
147.04498	0.4
148.05325	1.0
149.02446	1.2
149.06163	1.9
151.00635	0.6
159.04485	0.5
162.03264	2.0
162.77502	0.3
166.28409	0.4
166.29675	0.4
177.01959	100.0
178.02325	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	177.0196
Annotation	Esculetin
Peak:m/z	Relative Intensity
50.94252	0.2
55.16297	0.2
63.02407	2.6
65.00330	2.5
65.03978	0.2
66.14204	0.2
66.87774	0.2
67.01904	1.2
68.99802	0.5
79.01870	0.2
89.00336	0.6
89.03983	4.4
91.01905	4.4
93.03452	0.4
95.05057	1.0
105.03461	1.3
107.01413	1.9
109.02973	2.5
121.02984	0.9
123.04546	0.8
133.02972	6.7
134.03319	0.3
135.00905	3.3
143.84833	0.2
147.00864	0.3
149.02449	1.2
151.00389	0.3
153.02008	0.4
162.03203	0.4
174.81668	0.2
177.01950	100.0
178.02301	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	177.0559
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
59.01386	0.4
75.00887	0.4
77.03948	0.5
93.03469	1.9
95.05064	0.7
105.03474	1.0
106.04258	1.2
117.03471	0.4
120.02193	0.6
121.02954	1.5
123.04513	1.3
133.02983	1.3
134.03746	5.3
149.02472	1.9
161.02481	1.6
162.03246	100.0
163.03618	4.8
177.02036	2.2
177.05574	9.2
177.09166	0.6
178.02675	0.4
178.06067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.056
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
64.88168	0.3
69.20223	1.9
69.62703	0.3
72.15068	0.4
92.56433	0.3
93.03471	0.6
93.73719	0.3
105.03484	0.9
117.03477	49.3
118.03675	0.8
118.04262	2.6
121.02972	30.3
122.03303	1.1
123.04536	8.9
124.04866	0.6
129.02022	0.3
133.02980	6.4
134.03773	2.8
145.02971	62.2
146.03305	2.9
147.04550	0.4
149.02505	0.9
162.03244	11.2
163.03644	0.5
177.05585	100.0
178.05946	5.7
180.19316	0.3
199.38029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49675	0.3
59.01401	1.6
60.97169	0.4
61.98835	0.6
62.77287	0.4
69.48590	1.5
69.49000	1.0
70.45007	0.4
71.01401	1.0
78.95917	20.1
85.02972	0.5
87.00874	1.9
99.00914	0.6
119.93739	0.5
134.96109	25.9
135.96199	1.9
136.94028	100.0
137.94098	7.8
141.55919	0.3
151.92735	15.9
152.92775	1.0
154.95074	0.4
161.04562	1.0
178.95056	49.1
179.05591	1.4
179.95161	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	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21010	0.1
59.01384	0.7
60.59861	0.1
61.98842	0.4
69.13990	0.7
69.70480	0.1
71.01393	0.2
78.95920	0.3
79.95768	0.3
85.02971	0.2
87.00887	1.0
89.02438	0.1
95.17104	0.1
95.95252	0.2
98.16094	0.1
99.00890	0.2
101.02443	0.1
102.94380	0.1
117.01949	0.2
118.59782	0.1
119.93703	0.6
125.02445	0.1
134.96109	22.8
135.96184	1.5
136.94026	100.0
137.94096	7.1
138.94469	0.2
141.01935	0.1
151.92737	17.0
152.92801	1.2
154.95132	0.5
154.96152	0.1
161.04578	0.4
164.01250	0.1
178.95081	40.9
179.05661	0.6
179.95183	3.6
187.54716	0.1
196.96194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01389	1.8
61.99610	0.2
71.01390	1.0
72.99296	0.3
73.02923	0.3
75.00877	2.1
78.95913	0.2
81.03470	0.4
83.01412	0.3
85.02962	0.7
87.00885	2.8
89.02456	0.5
89.03987	0.3
91.05545	0.3
93.03485	0.4
95.01413	0.3
95.05028	0.3
97.02974	0.2
99.00895	0.7
106.04254	0.3
107.05053	1.6
108.02208	0.2
109.02980	0.3
109.40586	0.2
117.01958	0.3
117.03482	0.6
123.00852	0.3
123.04528	0.2
125.02483	0.4
134.03763	7.2
135.04543	100.0
136.01665	0.5
136.04874	4.3
146.03734	0.7
153.41498	0.2
161.04568	1.3
164.04808	0.8
179.03525	13.8
179.05588	2.0
179.07050	0.4
180.03828	0.6
180.06635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11585	0.2
57.03462	0.3
59.01383	3.7
62.72993	0.2
63.02391	0.3
65.00324	0.2
69.03436	0.6
71.01392	3.2
71.26900	0.3
72.99313	0.4
73.02955	0.7
75.00867	1.0
78.95913	0.3
81.03466	0.3
82.61003	0.2
83.01401	0.7
85.02511	0.3
85.02959	2.0
87.00888	8.6
89.02454	1.0
89.03975	0.5
91.05544	0.8
93.03470	0.4
93.36269	0.3
95.01420	0.3
95.05051	0.3
95.58598	0.2
96.95990	0.2
97.02979	0.8
99.00891	2.2
101.02470	1.1
106.04276	0.3
107.01412	0.5
107.05054	1.8
108.02201	0.4
108.04565	0.3
109.02977	0.4
113.02466	0.3
117.01947	1.6
117.03464	0.9
121.02956	0.7
125.02417	1.3
129.01952	0.3
134.03763	8.1
135.04543	100.0
136.03909	0.5
136.04880	4.4
136.07712	0.4
136.24567	0.3
137.02478	0.3
141.01962	0.5
146.03764	1.2
149.02437	1.0
151.00423	0.4
151.04047	0.7
151.07669	0.3
159.03008	0.3
161.02539	0.3
161.04588	4.1
161.05888	0.4
164.01186	0.6
164.04781	1.6
166.19563	0.2
178.99951	0.5
179.03534	14.3
179.05618	4.8
179.07072	0.5
180.02957	0.4
180.06526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	Sorbose
Peak:m/z	Relative Intensity
57.03431	4.7
58.00606	3.7
59.01385	92.7
66.48434	2.6
68.95316	23.3
69.03487	5.0
71.01390	63.8
72.99325	6.5
73.02947	7.3
75.00883	4.2
81.03472	4.8
83.01399	7.9
85.02966	28.9
87.00888	46.2
89.02459	32.0
93.03495	6.0
95.01421	8.3
95.05034	5.5
97.02982	7.1
99.00889	11.7
101.02463	11.4
107.05059	4.0
108.02198	3.3
113.02490	4.9
117.01946	7.7
118.99352	3.4
119.03487	2.8
121.02982	7.6
123.00895	3.8
123.04578	5.9
125.02489	4.6
131.03479	6.5
134.03772	3.5
135.04543	65.5
136.01720	3.0
136.04912	2.9
141.01962	2.8
145.02960	4.2
146.03761	100.0
147.04256	7.8
149.02448	22.6
150.05602	4.0
151.04027	6.9
152.87094	2.2
159.02982	3.0
161.04591	39.6
161.06105	13.8
163.03987	4.6
164.01181	8.4
164.04811	77.3
164.06177	3.9
165.05101	3.1
178.99950	3.8
179.03468	15.2
179.05634	29.6
179.07169	12.9
180.06610	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	179.0565
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
51.68908	1.7
55.01875	2.6
57.03438	2.9
58.00590	3.2
59.01097	3.6
59.01392	62.0
59.63510	2.0
67.65411	1.9
69.03477	3.6
69.04181	16.0
71.01395	57.3
71.89559	2.0
72.99329	15.1
73.02956	14.4
73.99373	1.9
75.00885	93.8
81.03477	6.5
83.01409	6.3
85.02966	24.6
87.00892	100.0
89.02475	20.3
95.01406	2.4
97.02962	6.8
99.00899	27.2
99.04523	2.9
101.02473	9.1
105.16225	1.9
113.02470	6.9
117.01955	12.4
119.05024	2.9
121.96012	2.4
125.02459	13.3
129.01976	3.0
135.04568	5.1
141.01988	7.5
143.03525	7.6
159.03012	4.0
161.04588	46.9
177.03951	2.6
179.05644	91.3
180.06415	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	179.0564
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
52.96574	0.9
55.01887	1.2
57.03424	1.0
58.00602	5.0
59.01389	76.3
60.01725	1.1
63.04998	1.0
71.01395	59.9
71.05033	1.9
71.24728	1.6
72.99319	14.0
73.02969	9.0
75.00886	100.0
76.86153	1.0
79.54098	0.8
81.03461	5.9
83.01410	2.3
85.02972	8.4
87.00895	22.7
89.02464	24.9
95.01411	1.4
97.02952	3.0
97.85268	0.8
99.00900	9.7
99.04549	2.0
100.30364	0.9
101.02468	4.8
113.02461	5.7
117.01962	3.6
120.14644	0.8
125.02489	3.0
125.53915	0.9
141.01924	1.2
141.80391	1.1
143.03542	10.8
161.04617	15.0
179.05646	51.0
180.06013	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	179.0564
Annotation	Sorbose
Peak:m/z	Relative Intensity
50.80176	1.6
55.01888	2.0
58.00603	3.3
59.01383	61.7
67.01903	1.9
69.03455	6.5
69.42843	8.4
71.01389	55.4
72.00906	5.5
72.99301	4.5
73.02958	10.9
75.00887	10.7
78.95920	7.6
80.02547	3.5
81.03494	1.5
83.01402	5.3
85.02962	20.6
87.00883	100.0
89.02458	24.2
93.03487	4.9
95.01381	3.0
97.02971	9.2
99.00885	21.9
101.02441	14.0
102.59933	1.8
108.02056	2.2
108.28564	1.4
113.02470	6.0
117.01968	14.8
119.05041	16.3
119.63219	1.6
123.03151	9.4
125.02445	12.9
129.02048	2.1
135.04550	8.1
136.94072	8.1
136.94896	1.5
141.01950	5.9
150.04221	17.1
159.03015	4.6
161.04572	44.9
163.04024	19.5
177.04147	2.7
178.95064	2.8
179.05637	51.3
180.05298	21.6
180.06706	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	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61323	0.9
54.58781	0.9
55.01873	1.9
57.03450	15.0
59.01373	4.4
63.04247	0.9
69.03447	3.4
71.01365	3.1
71.12762	1.7
71.13091	1.2
87.00884	2.9
92.21302	1.0
95.05037	9.7
97.02966	2.3
97.06604	13.6
100.26138	1.1
100.52871	0.9
107.05026	2.3
108.02180	4.6
109.06629	5.9
112.05273	1.0
117.01968	1.4
121.06567	1.5
122.03788	1.3
123.04543	33.4
123.08177	4.8
125.06106	2.2
133.06581	1.3
135.04503	3.9
135.08224	6.0
137.09746	1.9
149.09727	14.3
151.11295	18.7
152.04791	1.0
161.04520	2.3
161.09766	9.0
163.07657	13.3
164.08449	13.0
167.76022	0.9
179.05667	2.3
179.10796	100.0
180.11171	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	179.108
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
55.01872	2.0
57.03456	16.3
59.01371	2.0
60.78381	0.9
69.03455	3.2
69.22881	6.4
69.23270	1.6
70.52311	0.9
71.01397	1.3
75.83103	1.0
79.05546	1.1
81.03482	1.1
82.98339	0.9
83.79292	0.9
87.00869	2.6
89.02473	1.0
95.05032	12.2
97.02966	3.5
97.06599	13.9
102.33838	0.9
108.02191	2.9
109.06615	6.5
109.10303	1.1
119.08678	1.0
123.04543	33.4
123.08178	4.0
124.04855	1.5
125.06095	1.2
133.06578	2.2
135.04573	1.9
135.08202	4.0
137.09753	1.4
149.03329	0.9
149.09749	14.4
149.32625	1.2
151.11292	18.2
152.04854	1.6
161.04506	1.2
161.09708	9.4
163.07693	13.3
164.04875	1.8
164.08437	10.4
179.05594	1.9
179.10794	100.0
180.11134	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	179.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61323	0.9
54.58781	0.9
55.01873	1.9
57.03450	15.0
59.01373	4.4
63.04247	0.9
69.03447	3.4
71.01365	3.1
71.12762	1.7
71.13091	1.2
87.00884	2.9
92.21302	1.0
95.05037	9.7
97.02966	2.3
97.06604	13.6
100.26138	1.1
100.52871	0.9
107.05026	2.3
108.02180	4.6
109.06629	5.9
112.05273	1.0
117.01968	1.4
121.06567	1.5
122.03788	1.3
123.04543	33.4
123.08177	4.8
125.06106	2.2
133.06581	1.3
135.04503	3.9
135.08224	6.0
137.09746	1.9
149.09727	14.3
151.11295	18.7
152.04791	1.0
161.04520	2.3
161.09766	9.0
163.07657	13.3
164.08449	13.0
167.76022	0.9
179.05667	2.3
179.10796	100.0
180.11171	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	180.0669
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
59.01386	19.9
60.01720	4.0
68.01765	2.2
69.88985	8.6
71.01391	19.0
72.00916	40.5
72.01720	3.5
73.02950	5.7
74.02472	6.3
78.95910	21.1
80.02535	2.5
85.02964	2.5
87.00896	7.8
88.01228	7.6
89.02466	9.2
93.03468	32.6
94.03015	2.2
101.02465	11.3
107.05009	4.1
108.04588	3.1
109.02985	4.0
110.02501	2.9
114.84496	1.9
119.05041	89.2
120.05408	4.4
123.03175	6.3
134.06145	2.4
136.07692	3.2
137.02518	2.9
137.94109	5.3
138.93744	3.3
150.04247	12.1
151.00369	5.4
162.05638	3.2
163.04037	100.0
164.04370	4.4
166.02727	8.1
180.03111	3.1
180.05310	17.0
180.06703	88.3
181.07153	7.8
195.20500	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	181.0509
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
55.89675	0.3
56.84746	0.4
57.02613	0.4
59.01388	1.8
60.45892	0.3
65.00327	0.5
67.01904	1.4
71.01369	1.0
84.73268	0.4
89.02454	0.7
93.03481	0.7
95.01414	1.5
98.21769	1.4
101.02439	0.9
105.20419	0.4
109.02986	0.7
113.47306	0.4
123.00902	20.2
123.03272	0.6
124.01202	0.7
125.02480	0.5
137.02489	0.6
138.05582	0.7
140.11630	0.5
151.00386	95.6
151.03983	1.3
152.00734	3.4
153.03058	0.8
162.82997	0.4
165.01970	2.5
166.02731	100.0
167.03049	4.6
181.01463	0.4
181.05084	13.3
181.08678	0.4
182.05524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0665
Annotation	Antiarol
Peak:m/z	Relative Intensity
51.08696	1.7
59.01380	2.3
59.63175	1.6
64.46341	1.9
67.01884	5.2
69.03458	5.8
69.10374	14.9
81.03479	3.2
83.01367	1.8
95.01411	4.6
95.05083	2.6
97.02969	6.4
98.02446	2.1
107.01390	5.4
107.05032	1.9
111.00878	6.7
120.02213	2.1
121.02946	9.7
122.03774	22.4
123.00919	5.3
124.01661	5.4
124.98846	4.2
125.02441	18.8
135.00926	9.7
135.04596	2.0
138.03169	2.4
139.00433	2.5
149.02469	6.7
150.03236	24.4
152.98320	7.9
153.01964	100.0
153.05574	34.4
153.34821	1.9
154.02309	4.4
167.99370	10.5
168.00577	11.0
168.04309	98.9
169.00098	2.5
183.00531	4.0
183.03059	5.0
183.06653	98.8
184.01004	2.0
184.07059	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1393
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01380	2.0
61.98821	1.5
64.96088	1.4
71.07214	1.3
71.28019	1.6
78.16716	1.3
81.51570	1.3
82.41588	1.3
95.01407	2.7
97.08244	1.3
111.00883	4.0
114.75587	1.5
123.00896	3.7
124.04044	1.8
136.60327	1.2
139.00368	3.1
139.03987	1.6
167.99394	8.3
168.00667	3.0
182.86102	1.5
183.00475	4.8
183.03020	2.2
183.04874	2.9
183.13916	100.0
184.06122	3.8
184.14288	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	184.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.3
61.51035	6.1
68.31211	5.8
99.66267	6.1
102.40787	6.3
108.92669	6.7
118.99007	6.9
140.02083	51.1
141.99979	15.3
184.01022	100.0
185.01025	7.2
192.96873	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	184.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85159	6.0
59.01392	38.9
65.00333	34.4
69.70176	23.6
78.95905	6.3
88.99229	6.0
98.02612	5.7
98.22417	8.3
99.00906	8.0
100.72124	6.2
112.04034	11.9
124.04021	13.4
125.99622	23.2
126.03015	6.5
140.02052	44.6
140.07191	8.2
141.99994	23.7
142.96655	20.8
157.95279	7.1
159.01558	7.4
160.97635	5.9
184.01013	100.0
184.02524	5.1
184.06238	14.6
184.97736	9.5
185.00940	5.8
185.03078	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37591	0.4
59.98534	1.9
65.00333	100.0
66.00675	2.1
69.52808	2.2
69.53194	0.9
75.13516	0.4
82.00609	5.9
87.66521	0.4
97.02962	13.3
98.00137	1.1
98.03306	0.7
98.21716	0.4
115.84429	0.5
125.99611	76.7
126.99935	2.2
141.00876	0.7
141.01959	13.4
158.24606	0.4
185.00957	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	185.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75613	1.1
61.43347	1.1
63.65890	1.2
64.06094	1.1
65.03967	3.4
69.03452	2.0
69.15506	9.9
69.15817	1.3
70.87488	1.1
79.05537	3.2
93.03454	1.4
102.04774	1.3
106.04272	15.8
117.03521	1.9
119.05043	2.5
129.07086	3.4
130.04263	16.7
132.05846	1.9
141.07124	3.8
143.05057	5.7
143.08694	1.9
155.08728	1.8
156.05838	24.6
157.06514	3.9
157.10229	6.9
167.08691	5.5
169.06610	12.9
170.07381	11.2
183.08139	11.2
184.08846	2.4
185.09738	100.0
186.10083	5.8
188.17451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55529	0.2
58.02739	0.3
58.02985	4.2
59.01383	1.8
66.03488	0.8
68.05061	2.7
70.85094	0.2
71.94941	0.2
90.78909	0.3
98.21809	1.0
98.22522	1.0
114.09263	100.0
115.09597	2.8
125.09732	0.6
130.60332	0.3
144.10323	30.0
145.10674	1.1
186.11374	2.3
187.09750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	94.4
60.01730	0.7
61.98838	13.3
69.43680	4.1
80.01192	0.6
90.97147	1.8
115.02524	5.6
117.00454	7.2
117.64373	0.6
125.09735	1.7
127.87049	6.5
132.98247	1.0
141.86833	17.0
142.88336	1.3
142.89394	21.8
142.99475	0.7
143.01991	3.0
144.97444	1.1
144.99915	1.1
159.01512	100.0
159.86003	4.5
159.87878	4.6
160.01656	8.1
186.88382	4.7
186.95639	1.2
187.01027	11.2
187.86127	0.9
188.00734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02986	1.5
59.01387	85.2
60.01706	1.2
61.98824	2.7
68.99819	5.9
69.52528	4.1
71.01394	6.2
71.05022	0.8
74.02480	6.8
74.99363	1.1
83.01390	1.9
84.04546	1.0
85.02962	0.9
87.00859	0.9
90.97152	5.2
91.79376	0.6
97.06592	1.2
99.00893	13.1
101.02472	0.6
111.00912	0.8
112.98837	0.8
115.00354	0.7
115.02576	4.5
115.08819	0.8
115.09579	1.5
117.00455	9.4
125.06120	2.2
125.09697	2.3
127.00388	9.0
128.03560	1.0
131.08250	0.8
132.98230	4.4
143.02026	2.4
143.07207	1.9
143.11913	9.1
144.04541	1.3
144.10352	1.3
144.99994	1.3
154.99883	1.1
159.01514	100.0
160.01636	7.7
169.05121	0.7
169.09853	1.4
184.99382	1.0
186.95627	3.5
187.01010	10.5
187.02539	4.3
187.06216	1.4
187.09537	1.1
187.10924	11.6
188.00819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0978
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03458	4.1
69.03481	0.6
69.28281	2.4
71.05042	0.3
80.02818	0.3
83.05021	0.4
95.05019	0.7
97.06597	12.8
106.04231	0.5
123.08179	5.8
125.09737	100.0
126.10082	3.9
143.10811	2.3
169.08722	3.3
187.09773	39.6
188.10078	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	187.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	9.1
59.01100	2.1
59.01383	40.6
61.98814	2.3
62.83593	1.4
70.78206	2.9
70.78561	2.0
74.02481	81.5
82.06639	7.5
85.04090	6.6
90.97127	5.3
97.06599	1.5
99.00920	2.6
112.07676	3.3
114.09274	1.6
115.02534	2.4
117.00446	4.3
125.06106	2.1
125.09724	2.4
126.08392	1.2
126.09258	28.4
127.09599	3.2
132.98238	2.6
142.89479	1.5
143.11914	84.9
144.12201	2.8
159.01509	40.7
160.01663	1.9
168.89001	1.6
169.09740	1.3
184.10356	1.7
186.95607	3.5
187.01036	4.5
187.10902	100.0
188.11201	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	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.55458	0.2
59.01387	1.2
61.98828	0.9
69.06828	2.0
72.99309	0.3
79.49255	0.2
80.05478	0.2
87.00891	0.2
98.05598	0.2
101.62631	0.2
102.03508	0.7
103.94349	0.2
116.05069	0.6
118.03010	0.3
127.07683	0.3
128.00722	0.3
141.86867	2.3
144.04568	100.0
145.04909	4.4
159.03285	0.6
159.87848	1.4
160.04205	0.2
187.85966	0.2
188.03532	3.6
188.07239	0.5
189.05540	0.3
189.07649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	6.6
58.06338	0.3
59.01379	1.4
67.01892	3.4
69.57911	2.1
71.01389	1.0
71.70251	0.4
73.02973	0.4
81.03465	0.4
83.05043	0.4
85.02959	37.1
86.03308	0.5
87.00887	46.8
88.01239	0.6
90.12845	0.4
90.48048	0.3
93.03487	2.4
101.02448	0.8
109.02967	0.6
109.70318	0.5
111.00897	100.0
112.01243	2.5
127.04024	2.1
129.01955	5.4
130.02287	0.4
130.99911	0.9
137.02541	0.4
147.03017	0.6
154.99913	0.9
169.92345	0.4
171.02992	0.4
173.00981	1.7
173.04523	0.8
173.09105	0.4
191.02022	9.1
191.05635	39.8
192.05968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01482	0.5
53.24445	0.5
54.94584	0.5
57.03453	5.1
59.01389	5.0
67.01893	5.0
69.00964	0.7
69.01360	5.1
69.03436	0.9
71.01408	2.6
72.99302	1.1
73.02945	1.0
81.03461	1.1
83.05046	1.2
85.02962	49.7
85.25279	0.6
86.03311	0.6
87.00888	49.4
88.01210	0.9
93.03464	8.1
94.59934	0.6
97.02940	0.7
98.22476	1.2
99.04520	1.3
101.02473	0.6
101.06107	1.6
109.02959	2.0
111.00896	90.4
111.04514	2.5
112.01251	1.8
115.04050	0.8
127.04031	4.7
129.01964	4.4
129.05562	0.6
154.99863	0.6
171.02957	1.2
173.00932	1.6
173.04559	2.7
191.02077	7.0
191.05634	100.0
192.06004	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	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81233	1.6
57.03445	6.7
60.13881	1.3
67.01902	3.6
67.85139	1.6
69.06652	4.7
69.07077	8.4
85.02481	2.8
85.02963	37.3
87.00878	45.5
91.61803	1.5
93.03464	3.8
96.63290	1.6
101.33088	1.6
101.90276	1.4
104.71037	1.3
105.05262	1.3
111.00894	100.0
112.01215	2.7
113.80264	1.5
129.01952	5.1
130.99934	2.1
132.66347	1.4
140.31384	1.7
173.00964	1.9
178.58054	1.3
191.01981	10.5
191.05637	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0353
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.11603	0.2
57.03452	0.3
59.01369	0.6
65.54731	0.2
67.01901	0.3
68.16928	0.2
69.18549	1.7
70.09145	0.2
70.52754	0.2
71.01385	0.4
83.05046	0.2
83.97162	0.2
85.02961	4.3
87.00890	3.1
93.03473	1.2
95.01395	0.4
98.22594	0.3
101.02428	0.2
104.02698	23.5
105.03028	0.9
109.02978	0.3
111.00901	5.2
111.04533	0.3
120.02200	2.1
123.00900	0.9
127.04036	0.7
148.01689	22.3
149.02034	0.8
163.00352	0.3
173.04616	0.3
176.01169	100.0
177.01505	4.9
180.00658	0.6
183.45308	0.2
190.99916	0.2
191.01964	0.7
191.03545	7.4
191.05638	12.8
192.03847	0.5
192.06000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
57.52092	0.2
59.01383	0.3
61.63078	0.2
67.01861	0.3
69.04500	2.1
69.91548	0.2
85.02959	3.7
87.00890	2.8
89.47924	0.2
93.03475	0.7
95.01440	0.2
95.76632	0.2
98.69101	0.2
104.02695	21.5
105.03033	0.5
111.00893	4.5
115.16881	0.2
120.02174	1.9
123.00909	0.6
127.04005	0.4
147.04503	0.3
148.01689	20.5
149.02037	0.7
173.04492	0.3
176.01173	100.0
177.01535	4.8
180.00694	0.6
191.02173	0.6
191.03537	16.9
191.05624	7.6
192.03860	0.6
192.06458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
57.52092	0.2
59.01383	0.3
61.63078	0.2
67.01861	0.3
69.04500	2.1
69.91548	0.2
85.02959	3.7
87.00890	2.8
89.47924	0.2
93.03475	0.7
95.01440	0.2
95.76632	0.2
98.69101	0.2
104.02695	21.5
105.03033	0.5
111.00893	4.5
115.16881	0.2
120.02174	1.9
123.00909	0.6
127.04005	0.4
147.04503	0.3
148.01689	20.5
149.02037	0.7
173.04492	0.3
176.01173	100.0
177.01535	4.8
180.00694	0.6
191.02173	0.6
191.03537	16.9
191.05624	7.6
192.03860	0.6
192.06458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
55.54547	0.3
57.03453	1.2
59.01385	2.4
60.34246	0.3
60.53514	0.2
67.01951	1.1
69.03493	0.5
70.82394	0.6
71.01384	1.5
72.99347	0.4
73.03008	0.7
81.03516	0.6
83.01405	0.3
83.05096	0.8
85.02470	0.7
85.02956	20.4
86.03309	0.6
87.00885	11.8
87.33833	0.2
93.03463	5.2
95.01418	0.4
99.04604	0.9
101.02505	0.3
104.02692	21.5
105.03080	0.8
109.02963	1.4
111.00895	18.8
111.04533	1.6
112.01260	0.5
113.02522	0.3
113.19609	0.3
118.99364	0.3
119.05077	0.6
120.02193	2.0
120.13937	0.2
123.00954	0.7
127.04024	3.2
127.04874	0.3
129.01974	1.0
133.03014	0.9
133.36592	0.2
135.04573	0.4
137.02518	0.5
145.04883	0.3
147.04547	0.3
148.01682	21.2
149.02034	0.6
161.02452	1.3
161.06197	0.4
163.00375	0.3
163.04053	0.5
164.04393	0.4
171.03001	0.9
173.04561	1.5
176.01163	100.0
177.01508	4.5
180.00653	0.7
191.01964	1.4
191.03589	7.9
191.05614	61.1
192.04042	0.5
192.05981	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	191.0352
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
55.68143	0.2
57.03444	0.8
58.06045	0.2
59.01379	1.6
67.01887	0.8
69.03445	0.3
71.01395	0.8
71.27170	0.4
73.02950	0.6
81.03461	0.4
83.01349	0.3
83.05034	0.5
84.79008	0.2
85.02964	11.5
86.03300	0.2
87.00887	6.1
93.03468	3.1
99.04549	0.3
104.02697	20.8
105.03034	1.1
109.02961	0.5
111.00898	9.4
111.04526	0.8
120.02183	2.1
123.00917	0.7
127.04018	1.4
127.28665	0.2
127.29842	0.2
129.01962	0.7
132.02196	0.3
147.04536	0.5
148.01683	20.3
149.01978	1.2
161.02493	0.4
171.02968	0.6
173.01059	0.3
173.04543	0.9
176.01167	100.0
177.01515	5.1
180.00658	0.5
191.01978	0.9
191.03578	8.1
191.05635	36.8
192.03972	0.5
192.06024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
57.03448	1.3
59.01371	1.4
64.84140	0.4
65.00328	3.6
67.01884	1.1
69.03442	0.6
71.01385	1.6
71.33891	0.7
73.02950	0.7
75.94171	0.4
79.05550	0.9
81.03465	9.6
83.05053	0.8
85.02961	18.7
86.03285	0.5
87.00887	9.6
90.41866	0.5
93.03467	5.8
99.04560	0.7
103.05527	0.7
105.03496	1.4
107.01434	0.8
109.02961	1.1
111.00896	19.0
111.04565	1.0
118.99326	0.6
119.05052	1.9
123.04545	6.0
127.04031	2.4
129.01982	0.7
147.02789	0.6
147.04547	7.1
148.01662	1.0
149.02457	14.5
163.00380	1.5
163.03952	0.6
171.03012	0.5
173.04559	1.0
176.01178	4.5
177.01768	0.5
189.49150	0.5
191.03526	100.0
191.05611	45.8
191.10735	1.3
192.03844	5.0
192.06023	2.2
194.17909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0353
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03439	0.5
59.01378	1.1
67.01904	0.8
71.01387	0.7
72.99314	0.4
73.02960	0.4
81.03467	0.4
85.02959	7.3
87.00898	4.2
88.65241	0.3
91.01921	0.5
93.03477	2.4
98.22524	1.0
109.02959	0.7
111.00894	6.0
111.04572	0.4
118.99321	0.6
119.05037	1.4
121.02973	100.0
122.03305	3.0
127.04002	0.8
129.01947	0.3
147.04538	6.7
148.01616	0.4
163.00401	1.8
163.04057	0.7
173.04512	0.5
176.01149	1.2
176.48737	0.3
190.99947	1.3
191.01962	0.8
191.03575	7.0
191.05643	24.0
191.10782	0.5
192.04065	0.3
192.05956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03449	0.9
59.01385	3.8
67.01882	1.1
69.03458	0.9
69.07460	0.7
69.07880	1.5
71.01388	2.3
73.02948	1.1
81.03469	1.2
83.01341	0.3
83.05030	1.0
85.02961	25.6
86.03283	0.6
87.00886	5.6
93.03470	8.7
98.21788	0.4
99.00854	0.3
99.04520	0.9
102.35223	0.2
108.02200	0.3
109.02978	2.2
111.00900	1.3
111.04536	2.8
113.02457	0.4
125.02408	0.3
127.03200	0.2
127.04028	5.5
134.13745	0.2
135.63443	0.3
137.02469	0.6
143.03593	0.3
153.01985	0.3
155.03545	0.4
171.03004	1.6
173.04570	2.7
176.01128	0.4
191.05630	100.0
192.05980	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	191.0566
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03451	0.5
59.01389	4.0
59.44044	0.1
60.99319	0.2
61.20947	0.1
67.01902	0.9
69.03469	1.0
70.30597	0.2
70.30959	0.3
71.01392	2.2
71.05009	0.2
72.49426	0.1
73.02957	1.0
81.03479	1.4
83.01378	0.2
83.05028	1.0
84.79913	0.2
85.02967	27.2
86.03280	0.7
87.00895	4.7
88.01199	0.1
93.03476	7.8
94.03819	0.3
95.01403	0.2
99.00912	0.4
99.04536	1.2
101.02452	0.2
108.02164	0.3
109.02983	2.2
111.00915	0.3
111.04542	2.3
113.02474	0.3
114.64358	0.1
115.04038	0.2
125.02437	0.2
127.04037	5.2
137.02452	0.4
153.02028	0.2
155.03598	0.2
171.03033	1.1
173.04533	2.0
191.05644	100.0
192.06007	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.1
57.17081	0.4
58.46059	0.4
59.01387	3.5
59.24287	0.4
67.01888	2.2
69.03464	0.6
70.68361	0.5
70.68689	0.8
71.01382	1.4
72.99306	0.5
73.02943	1.0
78.82015	0.4
81.03468	1.1
83.05039	1.0
85.02962	35.4
86.03301	0.7
87.00887	26.2
92.00392	0.4
93.03467	7.6
94.03822	0.4
99.04502	0.8
101.02508	0.6
109.02985	2.0
111.00897	44.7
111.04546	2.1
112.01225	1.0
113.62025	0.4
125.02421	0.4
127.04016	4.9
129.01987	2.5
155.03546	0.6
160.05818	0.4
171.02992	1.1
173.00868	0.6
173.04604	2.0
191.02107	3.2
191.05632	100.0
192.05991	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
55.98090	0.3
57.03446	1.0
59.01387	3.3
66.72739	0.3
67.01886	1.4
69.03458	1.2
69.63951	1.0
69.64359	0.5
71.01385	2.0
73.02940	1.2
73.97934	0.2
81.03461	1.2
81.12083	0.2
81.43621	0.2
83.05037	1.0
85.02959	27.2
86.03273	0.4
87.00886	6.8
93.03468	7.9
94.03829	0.3
94.41972	0.3
98.22515	0.4
99.04536	1.2
108.69946	0.3
109.02969	2.4
111.00897	4.5
111.04530	2.5
125.02469	0.3
127.04028	5.1
129.01907	0.3
129.90668	0.3
137.02480	0.5
161.02354	0.4
171.03021	1.4
173.04579	2.2
176.01157	1.0
176.04735	0.3
191.05635	100.0
192.05971	3.5
192.47183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37599	0.3
57.03444	1.0
57.76315	0.3
59.01383	3.2
67.01888	0.9
69.03458	0.8
69.52169	1.3
69.52583	0.6
71.01391	2.1
73.02944	1.0
78.54148	0.3
81.03468	1.0
83.05050	0.7
85.02962	27.1
87.00895	6.8
93.03474	9.0
99.00887	0.6
99.04541	0.9
109.02972	2.3
111.00896	4.0
111.04538	3.0
113.02454	0.5
119.05070	0.3
125.02438	0.5
125.65344	0.4
127.04036	5.0
129.01952	0.5
136.16832	0.3
149.07942	0.3
171.02939	1.4
173.04538	1.9
176.01114	0.9
189.03703	0.3
191.05634	100.0
192.05994	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	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.44409	0.3
52.07426	0.4
53.91967	0.4
54.11893	0.3
57.03441	0.5
59.01377	3.5
60.99291	0.3
67.01890	1.3
69.03449	0.8
69.52467	1.3
71.01389	2.6
73.02949	1.0
81.03468	0.8
83.05027	1.3
85.02962	27.6
86.03295	0.7
86.12823	0.3
87.00889	5.5
88.00083	0.4
88.15425	0.4
93.03473	8.0
99.00877	0.4
99.04507	1.0
104.02651	0.5
104.48221	0.4
109.02970	2.3
111.00884	2.2
111.04528	2.7
127.04044	5.5
171.03030	1.2
173.04550	2.2
176.01173	1.4
191.05632	100.0
192.05975	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	191.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01385	3.4
60.09205	0.3
67.01875	1.3
69.03469	0.6
69.04547	0.7
69.04952	2.1
71.01402	1.7
72.98544	0.3
73.02950	1.2
81.03456	1.2
83.05039	1.1
85.02962	25.2
86.03299	0.9
87.00891	6.9
93.03465	8.4
96.77451	0.3
99.04538	0.8
109.02982	2.4
109.68517	0.3
111.00884	3.6
111.04534	2.3
113.02514	0.4
118.96604	0.3
125.80975	0.3
127.04041	5.3
137.02466	0.4
143.63910	0.3
144.65323	0.3
144.68712	0.4
155.03487	0.4
171.03024	1.7
173.04539	1.9
176.01140	0.7
191.05630	100.0
192.05951	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
65.00334	0.5
66.03535	0.6
71.01389	0.6
71.26781	0.7
85.02959	0.7
89.03968	3.6
93.03483	2.5
95.01376	0.5
104.96193	0.4
106.04243	1.1
108.71087	0.4
109.02966	1.4
111.00917	0.8
113.01282	0.7
117.03474	5.7
121.03001	2.5
123.04563	0.6
133.02986	2.3
134.03766	100.0
135.04085	3.8
137.02460	6.4
137.34810	0.5
139.04086	2.5
149.02492	1.5
149.06087	6.6
150.03198	1.2
150.94841	2.2
151.04019	0.7
151.94814	0.5
164.01198	0.5
164.99513	0.5
165.01979	1.5
172.30371	0.5
178.02753	18.8
179.02179	0.9
192.95941	0.6
193.01387	4.3
193.05002	11.6
194.08270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
54.75528	0.4
56.18367	0.3
58.02863	0.4
68.31409	0.3
70.31127	0.8
76.29274	0.4
89.03986	5.1
106.04266	1.2
117.03484	9.4
121.02960	1.2
133.02985	1.4
134.03766	100.0
135.04109	3.7
137.02478	3.1
138.77116	0.4
139.04076	0.9
140.49706	0.4
149.02469	0.6
149.06090	5.6
150.03224	1.0
150.94803	0.4
177.01950	0.5
178.02736	14.6
179.03481	0.6
193.05066	10.3
193.96416	0.3
194.05487	0.6
194.08189	0.4
200.69868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93867	0.4
66.89960	0.4
69.06849	2.4
69.07264	1.1
73.86678	0.3
89.03982	5.2
99.24229	0.3
99.77699	0.3
106.04263	1.3
117.03477	10.6
118.03787	0.4
121.02967	1.0
133.02995	1.2
134.03757	100.0
135.04059	3.0
137.02464	3.7
139.04016	1.1
149.06096	4.9
178.02745	9.6
193.01375	0.6
193.05061	10.7
193.06783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
51.47097	0.4
53.86694	0.4
59.51221	0.3
60.93247	0.4
87.00885	0.4
93.03483	1.3
106.04275	0.9
109.03012	0.4
111.00907	0.9
121.02988	2.9
133.02974	24.2
134.03767	21.4
135.04054	0.7
136.01633	0.4
136.25606	0.5
137.02461	17.8
138.02766	1.0
139.04025	5.8
148.40225	0.4
149.02448	0.9
149.06107	1.3
150.03273	1.9
161.02463	29.7
162.02826	1.1
165.01967	0.6
174.61981	0.4
178.02739	6.5
179.02213	0.8
193.05072	100.0
194.05435	4.6
194.08212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0872
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
71.28297	0.4
74.25182	0.4
82.53164	0.4
85.16307	0.4
93.03490	0.5
107.05034	0.9
109.02967	0.5
121.02964	0.8
131.13060	0.4
133.02859	0.5
134.03767	4.4
135.04544	29.6
136.04869	1.4
137.02458	1.6
149.02493	0.6
149.06102	1.6
163.04027	100.0
164.04378	3.9
177.05679	0.6
178.02896	2.7
178.06374	54.1
179.02258	0.8
179.06699	2.4
193.01462	1.5
193.04961	2.3
193.08702	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	194.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
63.20468	0.9
64.01936	5.2
66.03482	1.0
69.13760	2.6
69.14165	6.2
75.00860	0.9
78.95898	3.2
81.02196	1.8
82.03017	1.2
85.02995	1.0
87.00874	1.6
94.03001	2.2
95.01361	1.5
105.01922	1.7
106.03026	2.2
108.00926	2.4
108.02191	3.1
109.01726	4.7
109.02956	2.1
110.00076	1.7
110.02470	3.4
111.00877	5.3
121.02965	2.4
122.02494	15.2
122.03282	1.9
122.06133	1.1
123.00889	9.9
123.03285	16.5
123.04541	2.2
124.01696	4.7
128.01170	1.1
129.01945	1.0
133.01636	1.4
133.06812	1.0
134.02493	3.2
134.03720	2.4
135.00888	2.2
135.03238	1.4
135.04070	7.7
136.00414	15.1
136.01660	3.2
136.04105	1.9
137.02461	2.1
138.01976	9.8
138.03215	2.9
149.01199	4.0
149.02390	1.7
150.01981	46.6
150.05566	1.5
151.02773	63.5
152.01190	6.1
152.03131	2.0
152.91774	14.2
152.94472	2.8
155.02307	1.3
158.84660	2.6
162.02014	5.4
163.00398	6.7
164.03493	2.0
165.01895	1.2
165.04306	4.3
165.05597	1.4
166.02724	2.6
166.05089	8.0
167.03539	1.5
167.90488	6.1
178.01401	4.7
179.02229	100.0
180.02625	4.3
180.04199	1.6
194.04565	16.6
194.08253	4.8
194.92827	6.6
194.95584	1.6
195.03107	1.3
195.05077	2.0
201.98685	1.1
211.93047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
60.08309	1.0
61.79958	1.0
64.01930	4.7
64.40309	0.9
65.99847	1.4
68.01425	1.0
69.81342	4.5
75.00900	2.2
78.95901	2.5
80.05053	1.3
82.02956	1.3
94.03020	2.9
95.01418	1.6
96.02202	1.0
98.22539	1.1
106.02983	1.4
108.00948	2.5
108.02194	3.9
108.04592	2.3
109.01723	7.0
109.02961	1.7
110.02501	4.2
111.00921	5.8
122.02499	13.3
122.06088	1.8
123.00910	8.2
123.03287	12.5
123.04565	2.2
124.01675	3.8
128.01169	1.6
129.01901	1.6
129.92368	1.5
132.04565	3.7
133.01685	1.6
134.02496	2.7
134.03732	2.7
135.00909	2.7
135.03230	1.9
135.04123	6.5
136.00417	14.6
136.01514	1.6
136.04028	1.7
137.02489	1.3
138.01988	8.8
138.03059	1.4
139.04004	1.2
149.01202	3.2
150.01997	40.2
150.03210	3.9
150.05550	5.3
151.02771	64.3
151.03859	2.4
152.01160	5.0
152.03148	1.7
152.91765	13.1
152.94576	1.7
155.02274	2.7
158.84717	4.8
162.02031	4.1
163.00391	7.4
164.03593	1.3
165.02031	1.9
165.04295	3.2
165.05643	2.6
166.02742	2.2
166.05099	6.8
166.99635	1.0
167.03528	1.1
167.90524	2.8
178.01447	3.5
179.02231	100.0
180.02657	2.9
180.04305	2.5
194.04555	17.1
194.08174	6.5
194.92908	4.3
195.03062	1.7
195.05040	2.9
195.13867	1.2
210.75365	1.0
212.93834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
58.00594	12.9
59.01385	13.7
60.30647	1.7
61.98847	2.5
63.55347	1.4
66.03511	2.5
69.05169	15.7
71.01388	3.2
72.99306	2.6
75.00903	12.1
77.76180	1.7
78.40957	1.7
78.95908	14.5
87.00889	13.2
89.02456	2.7
93.03471	5.9
96.96039	2.7
105.01965	14.9
107.05042	17.6
108.02198	4.8
109.02960	6.0
111.00883	2.6
121.02970	47.4
122.03787	17.0
123.00897	2.5
123.04547	3.4
124.01674	5.0
126.09577	1.6
129.02011	8.5
133.02977	2.5
134.02534	1.7
134.03706	2.3
135.00919	3.3
135.04582	2.2
136.05354	1.6
137.02463	13.6
147.02975	3.9
150.03247	19.7
151.04033	10.9
152.90511	2.6
152.91780	52.7
152.94450	12.0
154.02756	3.1
162.03159	2.0
163.04033	2.1
165.01967	29.0
165.05560	18.2
167.03578	1.7
167.90485	21.5
170.92860	1.9
177.04080	3.3
180.04301	100.0
181.00266	9.0
181.04622	3.4
194.92845	23.5
194.95581	6.8
195.02986	5.2
195.05055	9.5
195.06644	31.2
196.02481	2.0
196.06316	3.6
212.93802	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	195.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.3
64.45311	0.3
71.27119	0.5
75.00885	0.4
105.01973	0.3
108.02174	1.3
122.02927	0.5
122.03756	7.5
123.04588	1.3
137.02455	0.3
149.02531	0.3
150.03246	100.0
151.03560	3.4
164.82185	0.3
165.01915	0.9
165.05588	48.5
166.05919	2.3
180.04311	16.9
181.00197	0.8
181.04704	0.5
195.06648	10.1
195.10327	0.4
196.06975	0.3
213.85164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0665
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
71.27451	1.0
71.27906	1.0
83.01398	1.1
83.24509	0.9
83.69653	1.0
93.02887	0.8
93.03477	4.6
107.05053	3.2
109.02977	1.7
121.02927	4.8
121.40254	0.8
122.03767	16.7
123.00881	3.2
123.04550	0.9
124.01680	2.5
125.02521	1.2
125.37716	1.1
127.12553	0.9
128.57626	1.0
133.03017	1.1
135.00816	0.9
136.01691	1.8
137.02518	2.1
142.24055	0.9
149.02457	23.7
150.03252	100.0
151.03719	4.9
152.91800	1.8
164.04774	5.0
165.01904	4.4
165.05589	81.1
166.06082	1.9
180.04312	11.3
181.00145	4.5
195.03004	6.2
195.04729	1.0
195.06654	5.3
195.13943	1.7
196.02599	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	195.0664
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
59.01375	2.6
61.98843	2.6
63.96574	0.7
70.14371	2.3
70.14711	0.7
78.95913	6.5
89.51350	0.9
90.34003	0.7
108.02215	3.0
109.02938	1.2
110.02441	1.0
114.76391	0.8
121.02949	1.0
122.03763	8.5
123.04525	2.1
125.02444	1.4
135.00896	1.6
137.02441	1.4
150.03244	100.0
151.03625	4.2
152.91786	18.9
152.92946	1.4
152.94504	3.2
153.01878	1.0
158.84700	1.1
160.84233	57.1
165.01962	2.4
165.05582	50.3
166.05977	2.2
167.03604	0.9
167.90527	7.5
177.01945	3.7
180.04298	22.1
181.00165	3.8
181.04634	1.0
194.92711	7.2
194.95593	2.2
195.04980	1.0
195.06606	11.6
195.13933	1.8
195.81113	16.4
196.02516	1.7
212.93881	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	195.1392
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
61.98820	0.7
70.17014	1.6
82.29726	0.4
93.55251	0.4
98.22475	0.7
109.06602	4.3
111.08182	3.9
112.25345	0.4
122.03745	0.7
125.09736	0.9
127.90783	0.4
133.72052	0.4
135.11818	0.8
138.06914	0.6
152.91789	0.6
160.84224	11.0
167.14435	6.3
167.90549	0.4
179.10786	5.2
180.11459	0.5
191.42015	0.4
195.13919	100.0
195.81119	3.7
196.14258	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	197.0207
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
59.01397	0.6
60.82961	0.5
61.98827	1.5
63.02384	0.6
64.01926	1.7
65.00331	0.6
65.03960	2.3
69.05425	3.0
69.05844	1.8
72.92957	0.6
77.56915	0.5
79.80184	0.5
93.03490	1.2
95.01402	1.7
99.24437	0.5
107.06174	0.7
109.02968	13.9
116.92894	1.0
117.01050	0.5
119.00796	0.5
121.02980	1.6
122.02477	0.8
123.00903	6.2
123.03474	0.5
123.79282	0.5
125.02428	0.6
125.93623	1.2
126.90540	0.8
137.02460	22.3
138.01945	0.9
138.03181	0.6
140.03564	4.3
143.97005	0.6
150.02005	3.5
153.01894	0.6
153.05530	1.0
160.84230	11.3
161.84285	1.1
162.83936	30.2
166.01494	1.0
166.99925	3.3
167.02237	11.6
167.99390	7.1
180.01776	14.9
182.00769	1.0
182.02219	7.0
183.01735	7.2
195.46765	0.6
196.81096	0.5
197.02055	100.0
197.11839	0.8
197.80803	16.1
198.02359	3.6
198.04196	1.4
199.01208	1.0
212.00764	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	197.0458
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
54.03966	0.8
59.01387	1.1
59.01677	0.7
61.98822	1.8
67.01893	1.1
68.09363	0.6
70.62866	2.3
95.01398	18.9
95.01955	1.5
107.06148	1.2
109.02970	1.5
113.02438	0.8
116.92871	1.5
121.02971	4.5
123.00906	68.7
124.01236	1.9
125.02472	1.1
137.02467	1.0
137.07292	1.0
138.03242	16.6
138.04172	0.6
148.50894	0.8
153.01929	1.2
153.05612	7.3
160.84264	2.8
162.83897	8.2
165.75380	0.7
166.99879	49.5
167.99310	7.6
178.99728	0.9
181.01436	1.3
182.02228	100.0
183.01582	7.9
197.04579	23.2
197.15359	0.8
197.80861	3.1
198.03961	1.8
204.71556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1186
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
69.03438	0.6
70.23409	0.5
70.32202	1.2
71.05023	1.1
82.81981	0.5
95.01412	1.4
97.06600	16.1
99.08164	4.8
107.05092	0.6
107.06213	0.6
121.02953	1.1
121.41373	0.5
122.03754	3.1
123.00903	6.6
125.09747	0.9
126.90482	0.8
137.09743	1.5
138.03227	1.3
151.11284	1.5
153.05600	1.1
153.12871	100.0
154.13214	3.4
166.99860	4.2
167.99380	6.4
179.10799	21.2
180.11134	1.5
182.00671	0.8
182.02231	7.7
183.01733	7.7
193.74431	0.5
197.02115	1.4
197.04553	1.4
197.11855	7.2
198.04114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03440	2.4
59.01362	1.7
68.95271	0.8
71.32166	0.9
85.06642	0.9
95.01386	2.6
95.05062	2.6
98.21737	2.2
107.06165	2.0
111.08170	29.7
112.01680	15.5
116.92862	1.2
121.03000	1.3
123.00906	11.1
125.02431	1.2
125.93618	0.9
137.02425	1.2
137.09746	54.9
138.03258	2.9
138.10069	2.0
153.12872	62.1
154.13199	2.9
154.19650	0.9
160.84303	1.4
162.83934	3.8
166.99864	9.5
167.99403	11.9
179.10905	1.2
182.02226	20.0
183.01724	10.4
197.04553	4.0
197.06462	2.0
197.08176	11.6
197.11847	100.0
198.04053	2.7
198.12193	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	198.945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30540	0.7
59.01399	0.8
70.81841	1.2
70.82156	0.8
87.92530	0.7
90.45251	0.6
94.98203	0.6
125.87363	1.4
126.79134	0.7
127.93172	100.0
128.93359	0.8
129.92343	4.5
139.93182	1.5
154.95525	64.0
155.87169	2.9
155.95703	1.0
157.97676	0.9
162.83943	8.2
163.83923	0.7
164.83620	8.3
171.92201	0.7
198.80875	0.8
198.94513	10.1
199.80536	6.4
210.67189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87832	1.6
59.01380	11.5
69.13999	4.4
69.14420	9.5
70.02979	14.3
71.01382	3.6
71.93612	1.7
72.04560	8.7
72.99302	7.0
73.02939	2.1
75.00877	2.1
81.16073	1.8
82.02997	8.6
83.01383	2.9
83.05038	3.3
84.04580	8.8
86.06120	2.4
86.68047	1.5
88.04040	3.2
88.30034	1.5
94.03007	9.4
94.06626	3.1
95.05043	8.5
96.04558	3.0
98.02489	24.3
98.06118	2.3
108.04567	4.9
109.69717	1.6
110.02487	35.6
110.06107	6.6
111.04523	3.0
112.04060	19.2
112.07704	8.2
113.06085	2.6
115.34392	1.5
123.03267	4.3
124.04041	5.9
126.05639	5.2
128.03529	6.2
128.07172	6.6
136.04060	10.0
138.05624	60.8
154.05106	40.3
155.03526	4.3
156.06673	35.2
157.05057	2.1
172.06146	4.9
182.04613	38.7
200.05664	100.0
200.09276	3.2
201.05908	3.7
201.12460	2.0
205.04684	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	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30506	0.3
57.81501	0.3
59.01384	100.0
60.01715	0.9
60.02000	0.4
69.11909	2.4
75.90179	0.3
81.81465	0.3
85.67493	0.3
99.18835	0.4
108.86202	0.4
113.04635	0.5
115.02536	0.4
126.94584	0.3
157.03595	6.5
157.74811	0.4
159.01498	1.6
201.02563	11.1
202.02823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01719	1.2
60.83059	0.4
66.03484	0.4
69.75127	1.7
72.04562	0.4
82.03015	1.0
83.03326	0.7
88.04062	1.1
100.04093	0.5
110.02480	0.6
111.02821	1.8
116.07203	0.5
157.03577	6.4
159.01518	2.5
160.01665	0.5
201.00848	0.4
201.02556	9.8
201.04260	0.7
201.12492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30717	0.3
59.01385	100.0
60.01713	0.5
69.55588	0.5
69.55991	1.4
88.04060	2.3
103.99770	0.3
115.02493	0.3
122.37098	0.3
123.54502	0.3
151.68922	0.3
157.03571	5.8
157.13531	0.5
159.01494	1.8
172.97801	0.4
174.57565	0.3
201.02557	9.6
201.04253	0.6
201.10902	0.4
201.12498	1.8
202.02809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
56.27784	0.8
57.03453	7.4
59.01387	18.0
69.03485	0.7
69.29325	1.9
69.29742	3.6
74.89774	0.6
87.65836	0.7
99.92619	2.6
111.08173	5.2
137.09770	3.2
139.11311	100.0
140.11635	4.8
141.93156	3.7
157.12373	1.2
175.30399	0.6
183.10291	45.0
184.10608	2.1
201.02127	2.3
201.11345	90.4
202.11699	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	203.0829
Annotation	Tryptophan
Peak:m/z	Relative Intensity
51.44849	0.8
57.01714	0.7
58.17508	0.8
59.01381	2.5
63.43827	0.8
65.28291	0.7
67.85132	0.9
69.76551	0.7
70.46896	1.2
70.47276	1.6
72.00917	24.2
74.02486	31.8
76.72285	0.9
116.05080	100.0
117.05444	2.8
130.06630	2.7
142.06641	28.0
143.07036	1.1
159.09308	14.5
160.09691	1.1
162.71103	0.9
164.93062	0.7
174.99287	1.5
186.05620	2.8
194.82857	0.8
203.08290	51.9
204.08604	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	7.3
59.01383	83.7
68.99822	18.6
70.47276	12.0
70.47620	8.7
71.01035	7.5
71.01392	100.0
72.99311	52.7
73.02941	12.8
75.00875	50.9
83.01375	17.6
85.02950	8.2
85.40931	4.6
87.00885	50.3
89.02454	13.9
94.60900	4.8
94.64249	4.6
96.99284	11.0
98.00044	5.2
99.00893	48.6
101.02454	10.5
103.00379	12.3
111.00896	20.3
111.19523	5.0
112.98832	56.0
115.00381	99.0
117.01955	13.3
124.98833	13.0
125.02434	9.2
127.00388	10.2
129.01927	22.6
136.67761	4.7
142.99873	21.4
145.01424	16.9
154.99867	10.8
157.01433	4.6
160.99472	5.4
169.65767	4.2
173.00951	7.4
175.02510	9.0
184.42104	5.8
198.81598	4.2
205.03578	6.5
205.16148	7.5
208.96353	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.5
58.00571	4.0
59.01390	89.7
67.01874	4.3
68.99825	14.6
69.29927	2.7
69.64922	10.7
69.65326	6.2
71.01390	100.0
72.99310	60.7
73.02965	21.1
73.03308	3.8
75.00880	44.6
83.01396	20.5
85.02966	7.1
87.00886	60.8
89.02438	10.9
92.19724	3.5
96.99290	9.1
99.00903	44.1
99.04532	7.8
101.02457	12.1
103.00391	4.2
111.00898	67.2
112.98817	19.4
115.00387	97.5
117.01941	17.3
124.98820	16.4
125.02472	17.2
127.00421	15.5
129.01981	18.0
132.88257	2.8
142.99890	20.1
143.03551	4.4
145.01433	15.3
154.99908	17.6
157.01472	5.9
173.00935	12.2
175.02559	4.9
187.02364	3.8
205.03535	11.9
205.09187	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	205.0356
Annotation	Homoisocitrate
Peak:m/z	Relative Intensity
54.26232	1.3
55.01885	3.8
55.76235	1.2
55.78589	1.1
57.03452	1.4
59.01379	6.3
61.98825	1.8
66.26946	1.0
66.92633	1.2
69.03477	3.0
70.59098	2.2
70.59451	1.5
71.01385	11.1
72.99312	45.5
75.00882	12.9
81.03468	39.1
81.03963	1.8
85.02100	1.1
85.02969	6.5
87.00897	3.3
96.99338	1.5
97.02961	1.5
99.00898	32.7
101.02419	1.3
111.00912	2.2
113.02487	3.3
115.00404	4.7
117.01917	5.5
124.98814	2.4
125.02462	100.0
126.02824	2.4
128.32112	1.2
129.01976	1.7
131.03528	4.0
137.02510	1.1
138.79372	1.3
142.99916	1.4
143.03500	9.7
145.01437	1.7
154.99814	1.3
159.04564	1.4
161.02487	2.0
161.04568	3.4
162.89291	1.8
172.46426	1.1
177.01848	1.5
177.05611	2.5
189.07394	1.1
190.06473	1.5
205.03534	29.8
205.05151	10.1
205.15987	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	205.1235
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.26162	0.6
57.03455	13.3
58.02967	0.6
59.01375	1.2
69.03464	1.4
69.14147	4.3
71.01390	1.4
71.09889	0.6
72.99317	0.7
81.03433	0.8
85.02969	1.0
93.03448	0.9
95.05057	1.7
95.20202	0.6
97.06599	2.2
103.13926	0.5
106.04286	1.3
106.45548	0.6
107.05057	3.5
109.06593	0.6
111.08125	0.7
115.00415	0.7
116.60231	0.6
121.06589	3.6
123.08172	2.4
131.05038	1.1
135.08194	3.1
145.10187	0.6
147.04543	0.6
147.08182	29.4
148.08484	1.1
149.06042	1.3
149.09744	5.8
149.24042	0.6
151.07631	0.9
159.08151	1.1
160.08954	1.4
161.09743	5.5
163.11305	11.2
164.07277	0.7
171.08194	4.4
172.08914	2.0
173.06058	0.8
175.07674	1.4
175.11304	5.3
176.08466	1.3
176.11609	0.6
177.12874	8.3
187.07736	1.0
187.11305	27.8
188.08475	3.9
189.09238	15.1
190.09998	5.6
190.99838	0.9
203.10791	11.5
205.12357	100.0
206.08334	0.7
206.12735	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	205.1235
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
57.03191	1.0
57.03453	14.2
58.02987	1.0
59.01373	2.9
62.00694	0.9
69.03438	2.3
71.01369	3.5
71.26933	1.4
72.99329	1.3
75.00898	1.3
83.05018	2.2
86.31516	1.0
95.05021	2.6
97.06595	2.2
97.40939	1.1
99.00833	1.4
101.10973	0.9
106.04279	1.1
107.05032	4.3
115.00392	2.5
119.05048	1.0
121.06610	4.0
123.08171	3.0
133.06615	2.0
135.04576	1.2
135.08202	3.9
136.05495	1.0
138.06960	0.9
138.66722	0.9
145.01427	1.1
147.04550	1.9
147.07089	2.0
147.08179	27.5
149.09720	4.0
151.07623	1.9
160.08940	2.3
161.09755	4.2
163.11308	12.3
164.07173	4.0
171.08192	5.6
172.08926	4.6
175.07669	2.3
175.11336	5.3
176.11305	0.9
177.12875	9.2
187.11298	27.3
188.08487	2.5
188.11697	1.2
189.09227	17.1
190.02785	1.0
190.09985	7.8
203.10789	11.0
205.05060	2.1
205.12352	100.0
206.08163	1.3
206.12714	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	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02980	100.0
59.01371	3.0
69.24575	6.9
70.02987	9.3
72.00909	5.4
82.03810	0.9
87.17600	0.8
91.05539	5.6
108.59163	0.9
119.04986	1.0
126.02829	1.7
135.04550	1.9
147.04538	29.3
161.27228	0.9
162.09250	1.5
164.07176	89.7
165.07506	4.5
177.01929	3.4
192.04266	2.8
206.08218	36.8
207.06645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34486	0.9
58.02982	39.8
69.51766	2.4
69.52178	1.9
70.02991	13.9
72.00920	6.5
73.70199	0.8
91.05542	12.7
103.05582	1.3
112.48557	0.9
135.04596	1.1
138.22606	1.0
144.73398	0.9
147.04541	36.5
148.04851	1.5
158.95911	0.9
162.09254	1.8
164.07184	100.0
165.07527	3.6
166.73802	1.0
206.08255	32.7
207.08667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.09177	0.7
59.01389	0.8
65.79154	0.7
65.94717	0.7
66.61656	0.6
69.69662	3.0
77.03978	1.3
84.59874	0.7
85.21905	0.7
93.03471	2.7
95.05033	6.4
98.22506	1.3
105.03456	2.6
107.53838	0.7
121.02973	7.7
135.04539	9.4
139.70911	0.7
149.02463	18.2
150.03166	1.4
163.00404	1.0
163.04013	2.7
164.04770	1.1
166.77415	0.7
174.03242	1.1
177.01945	100.0
178.02318	3.7
183.65382	0.7
185.38898	0.7
191.03503	1.9
192.04306	97.0
193.01512	0.8
193.04625	4.4
207.03003	1.0
207.06638	22.0
207.08499	1.3
208.06966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
54.77307	0.3
59.01395	0.9
71.27852	0.5
75.51429	0.3
95.05056	1.0
105.03460	4.7
105.82594	0.4
109.06589	0.6
116.98373	0.4
123.04589	0.7
133.02971	37.2
134.03323	1.4
149.02429	2.4
151.03978	0.4
163.00334	0.6
163.59906	0.3
164.03563	0.6
164.04779	2.7
177.01942	12.8
177.09203	1.6
178.02193	0.6
192.04298	100.0
193.04639	4.7
207.03329	0.6
207.06641	15.4
207.13914	14.1
208.06888	0.5
208.14195	0.5
224.10582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09177	0.7
59.01389	0.8
65.79154	0.7
65.94717	0.7
66.61656	0.6
69.69662	3.0
77.03978	1.3
84.59874	0.7
85.21905	0.7
93.03471	2.7
95.05033	6.4
98.22506	1.3
105.03456	2.6
107.53838	0.7
121.02973	7.7
135.04539	9.4
139.70911	0.7
149.02463	18.2
150.03166	1.4
163.00404	1.0
163.04013	2.7
164.04770	1.1
166.77415	0.7
174.03242	1.1
177.01945	100.0
178.02318	3.7
183.65382	0.7
185.38898	0.7
191.03503	1.9
192.04306	97.0
193.01512	0.8
193.04625	4.4
207.03003	1.0
207.06638	22.0
207.08499	1.3
208.06966	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
71.27925	0.2
75.22509	0.2
77.03980	0.9
79.01928	0.3
81.16222	0.2
93.03480	3.3
94.02965	0.2
95.05043	3.0
104.72299	0.2
105.03484	1.4
107.01427	0.5
108.93718	0.3
112.51732	0.2
121.02971	6.5
123.04542	7.4
135.04568	0.5
138.07314	0.3
142.52275	0.2
149.02460	19.0
163.04015	1.5
177.01955	100.0
177.34946	0.2
178.02309	3.6
191.03522	2.6
192.04311	91.8
193.04630	3.8
207.03401	0.5
207.06650	17.4
208.06970	0.8
208.09741	0.3
218.76149	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0458
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
52.03548	0.4
53.35305	0.4
54.38496	0.3
66.01093	0.6
73.02962	0.5
91.01915	1.9
95.01382	0.7
120.02184	2.1
121.02975	100.0
122.03306	2.9
123.00906	0.8
133.02974	8.5
136.01680	1.6
151.00470	0.5
154.36005	0.4
181.05110	0.5
194.02309	0.6
194.05782	0.8
195.02895	0.7
209.04556	13.8
209.11855	0.8
217.02097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82964	0.5
54.70609	0.6
59.01367	0.5
65.00341	0.6
67.01891	0.6
70.24879	1.2
71.01366	0.6
73.52948	0.5
81.03477	0.7
84.77768	0.4
92.32296	0.5
93.03471	1.4
94.03771	0.6
95.01389	0.9
95.05024	2.5
105.03474	6.9
107.01401	1.1
108.02177	0.5
109.01713	0.6
109.02940	0.8
111.00897	0.6
115.45171	0.5
120.99528	0.4
121.02969	9.5
122.03269	0.7
123.00946	1.1
123.04566	2.7
124.01685	0.5
124.04080	0.5
133.02966	16.9
134.03366	0.6
135.04498	1.0
147.04526	1.3
151.00366	1.9
151.04042	3.2
161.02467	100.0
162.02821	3.8
166.02707	1.8
168.97218	0.5
176.04811	69.1
177.05170	2.3
179.03520	15.7
191.07158	30.5
192.07463	1.2
194.02135	2.4
194.05864	12.4
195.06154	0.6
209.04733	2.5
209.06343	0.7
209.08199	7.0
229.30969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0822
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
55.90040	0.4
68.97002	4.6
75.46827	0.5
76.55058	0.4
77.03976	0.6
81.03471	0.6
93.03471	1.0
95.01453	0.5
95.04551	0.5
95.05042	2.7
105.03475	7.3
108.02203	0.5
116.42642	0.4
121.02982	9.6
122.03291	0.5
123.00934	0.7
123.04538	2.0
125.02458	0.4
133.02969	15.9
135.04599	0.5
147.04573	0.8
148.05289	0.5
151.00441	0.6
151.04024	3.0
161.02470	100.0
162.02837	3.4
163.45187	0.4
176.04810	68.8
177.05165	2.4
179.03525	15.2
180.03813	0.5
191.07167	32.1
192.07532	1.7
194.02267	0.5
194.05859	10.9
209.04680	1.1
209.08208	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	209.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
63.48767	0.5
65.00352	0.7
66.78085	0.5
69.24503	4.6
72.92768	0.5
72.99323	1.3
77.03974	0.6
85.02996	1.1
86.41611	0.5
91.01900	1.3
93.03485	1.2
95.01412	1.3
95.05048	2.7
105.03476	5.5
108.02225	0.6
109.02974	0.9
120.02164	2.6
121.02975	100.0
122.03310	2.3
122.93508	0.6
123.00907	1.3
123.04581	2.9
124.04086	0.9
132.70699	0.6
133.02974	14.4
134.70520	0.6
136.01703	1.5
147.04541	2.2
151.04010	3.2
153.75093	0.5
161.02466	80.1
162.02835	2.9
174.68105	0.5
175.04079	0.6
176.04805	62.6
177.05173	2.7
179.03526	13.2
187.09055	0.5
188.71402	0.5
189.40715	0.7
191.03574	2.9
191.07164	26.2
192.07455	1.0
194.02217	1.2
194.05870	11.9
195.06133	0.6
205.53377	0.5
209.04584	13.1
209.08183	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	209.1185
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03452	3.1
59.01385	100.0
60.01719	1.0
61.98834	0.8
67.24016	0.7
81.03470	1.8
97.06628	2.3
98.22541	2.1
109.06623	2.8
121.02972	22.9
124.04106	1.4
137.07362	0.7
165.12909	4.1
209.00999	1.0
209.04587	2.0
209.11873	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	211.0615
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
50.11966	1.4
53.82591	1.1
54.00197	1.1
58.87832	1.1
59.01373	2.8
61.92857	1.1
68.99831	1.2
69.18832	1.8
69.19247	7.2
72.04547	2.5
72.37508	1.1
80.92027	1.0
82.02985	3.6
90.72890	1.1
95.01406	3.5
100.04079	1.6
103.14725	1.1
107.05003	2.0
108.02205	7.9
109.02969	17.7
120.02209	11.2
123.00886	2.2
123.04534	6.1
124.01645	1.9
131.80951	1.1
134.03699	1.8
135.04485	1.3
136.01688	7.2
137.02461	3.3
138.03278	2.0
148.01691	93.5
149.02206	4.2
149.04430	1.3
151.03983	4.7
153.05605	90.7
154.05934	2.4
163.04039	92.1
164.04428	2.7
165.01964	3.6
166.02747	10.3
166.91106	1.1
167.05399	1.4
179.03493	2.2
181.05099	100.0
182.05379	2.6
196.03792	9.0
209.86533	1.2
211.06142	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0615
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
57.47357	2.4
58.09858	1.9
59.01381	8.1
61.82858	2.2
69.03472	2.0
69.06547	10.6
69.06971	8.7
78.95920	10.0
79.43627	2.1
83.93127	1.8
95.01421	3.5
108.02211	7.3
109.02952	16.3
120.02198	14.4
120.35394	2.0
123.00957	2.2
123.04538	9.2
128.17256	1.9
136.01704	7.7
148.01683	91.3
149.02226	2.3
151.04051	2.5
153.05603	90.8
154.05997	4.8
163.04036	100.0
164.04417	2.3
165.02003	2.7
166.02737	7.3
166.91110	2.4
167.08286	7.9
167.33226	2.3
179.03467	3.2
181.05090	98.8
182.05450	3.0
196.03764	12.3
211.06017	26.8
211.13391	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	211.1342
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
57.03446	1.3
59.01376	1.9
61.98842	0.5
65.00323	0.4
66.64901	0.4
75.52677	0.4
82.07573	0.4
85.00449	0.8
95.01397	0.7
106.83002	0.4
127.00591	0.4
141.86676	0.5
151.04034	0.5
151.11296	3.9
165.12830	1.0
165.18845	0.4
167.10799	0.7
167.14430	10.0
183.13911	0.7
184.87726	0.4
193.12347	6.8
211.03671	4.5
211.13412	100.0
212.13739	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	211.1344
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.87040	0.5
52.63905	0.5
70.61331	1.1
70.61678	0.9
83.05034	0.6
85.02975	0.6
95.01410	0.6
103.42576	0.5
151.11290	2.0
165.12801	0.6
167.10794	0.6
167.14442	20.2
168.14821	0.8
181.04994	0.5
183.13933	3.8
193.12341	1.6
196.36557	0.5
198.08882	0.5
210.43491	0.5
211.13417	100.0
212.13766	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	211.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70216	0.6
53.77266	0.7
59.01389	0.9
61.98825	2.1
69.03477	0.9
70.82790	1.5
82.64734	0.8
85.00454	1.7
89.98059	0.6
90.40444	0.7
121.07704	0.7
141.86836	3.1
144.12076	0.8
152.91789	1.0
167.10866	0.8
167.14436	1.6
178.06960	0.8
181.12321	0.8
183.13913	15.8
192.76292	0.6
193.12317	4.5
211.13422	100.0
212.13730	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01385	0.4
61.98818	1.2
68.02182	0.5
69.21886	0.5
69.53296	1.3
69.53705	1.3
81.03491	0.4
81.07101	1.0
85.00444	1.0
97.06597	5.2
101.06106	1.0
109.06598	1.2
111.04556	0.5
111.08183	1.4
125.09782	0.6
135.27171	0.4
139.04018	0.6
141.86804	1.1
145.02972	0.6
154.06387	3.2
164.98302	0.4
167.14439	4.5
181.05161	0.5
183.13953	1.6
186.05341	1.7
195.10297	2.5
206.35352	0.5
211.13417	100.0
212.13762	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	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
61.98830	4.0
71.28535	4.1
83.46787	2.1
85.00446	3.2
95.01384	3.2
104.99268	2.1
119.08939	2.0
141.86838	5.7
167.10811	4.7
167.14491	4.6
183.13918	18.4
193.12300	3.9
211.13423	100.0
212.13792	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	213.0925
Annotation	3,5-Dimethoxybiphenyl
Peak:m/z	Relative Intensity
51.02393	1.9
63.02407	94.2
67.01903	2.0
69.17342	11.2
69.17754	4.2
77.03969	8.7
86.01639	9.6
87.02404	27.5
89.03983	5.5
93.03529	2.2
97.03001	2.0
104.67899	2.2
106.04274	3.0
115.05554	7.6
117.03426	2.3
119.05037	26.3
123.04582	3.4
125.06168	2.4
129.07115	7.7
130.04253	9.3
139.05609	2.4
141.07088	5.7
143.05061	13.3
146.74342	2.3
154.04277	8.3
155.08690	6.4
156.05858	3.4
157.06613	100.0
158.06990	6.9
167.05017	9.6
168.05803	7.3
169.06577	8.6
169.60571	1.9
173.06189	2.5
180.05795	2.4
181.06552	4.5
182.07265	2.6
183.08157	26.7
193.06418	2.6
197.99130	2.7
213.09204	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	213.1136
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.01374	0.7
73.66674	0.6
93.44740	0.6
111.00861	0.8
132.52426	0.6
151.11328	1.3
169.12361	100.0
170.12695	3.3
195.10202	1.4
197.99208	3.3
213.01672	1.3
213.11345	95.1
214.11659	5.2
228.83223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80147	0.7
75.39867	0.7
91.38626	0.7
169.12311	0.9
183.13916	28.7
184.14191	0.8
195.13916	21.4
196.14185	0.8
197.99174	3.3
211.13348	1.7
213.01613	1.3
213.14975	100.0
214.15338	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	213.1501
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.36408	1.1
69.20747	2.8
69.21149	9.6
98.21781	2.7
123.05691	2.5
131.62909	1.2
142.40355	1.2
142.60799	1.6
177.90352	1.9
183.13870	5.9
195.13907	14.2
197.99191	6.1
211.13319	1.6
213.01680	2.9
213.03770	3.4
213.14978	100.0
214.15436	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	215.1079
Annotation	NAPROXOL
Peak:m/z	Relative Intensity
55.01833	1.8
65.03970	11.3
66.33768	2.0
69.03474	2.0
70.33878	2.1
70.69787	3.3
70.70123	2.4
81.03430	2.7
81.83881	2.0
89.03978	18.3
91.05505	3.1
93.03451	3.5
103.05563	2.6
106.04253	6.7
107.05057	3.8
117.07104	1.7
119.05019	5.8
130.04265	10.0
131.05038	2.9
131.08644	2.6
132.05809	2.4
141.07130	2.4
143.05023	6.3
144.00929	3.7
156.05820	16.6
157.06589	5.4
159.08170	34.0
167.08661	4.3
169.06596	6.8
170.07352	3.6
182.07391	2.4
183.08171	5.8
185.09741	67.6
186.10127	2.8
195.08145	2.0
197.09711	3.9
215.00992	26.2
215.10777	100.0
216.11168	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	215.1079
Annotation	NAPROXOL
Peak:m/z	Relative Intensity
65.03968	25.6
67.72688	2.1
69.33221	9.5
69.33638	7.3
69.83148	2.3
70.11528	2.3
78.80882	2.0
79.05524	3.2
81.03477	5.1
89.03977	39.7
93.03497	5.3
95.05032	4.5
106.04277	17.1
107.05037	4.1
115.05522	3.3
117.07122	6.1
119.05067	13.0
125.06088	2.9
129.07109	4.6
130.04254	16.9
131.05048	4.2
131.08682	3.9
133.06581	2.0
141.07129	6.6
143.05011	8.6
143.08624	3.4
144.05829	4.3
145.06561	3.1
152.61237	2.6
156.05835	23.8
157.06641	6.9
157.10216	5.5
159.06868	3.8
159.08160	57.8
167.08656	3.0
169.06639	19.4
170.07333	10.8
171.07971	2.6
182.07394	3.9
183.08121	10.0
185.09743	100.0
186.10117	3.8
187.11227	2.7
197.09666	4.7
215.01039	6.3
215.10788	97.5
216.11110	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	217.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44121	0.5
59.01387	100.0
60.01707	0.5
90.97156	1.7
98.22531	1.3
118.96626	0.9
123.22798	0.5
132.98228	1.9
174.99271	28.1
175.99614	0.6
188.10144	0.4
217.00327	20.3
218.98038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70474	0.2
53.51474	0.3
56.30456	0.3
59.01379	3.4
71.01393	0.5
91.01885	0.5
95.01390	0.6
119.01387	0.6
132.39005	0.3
133.06950	1.8
135.00919	0.4
147.00932	0.3
163.00389	17.4
164.00754	0.6
178.98553	0.5
190.99876	100.0
192.00212	4.1
205.01364	0.9
206.02217	39.2
207.02490	1.8
221.04561	11.0
221.07950	0.4
221.11810	0.4
221.15527	0.5
222.04774	0.5
225.03398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09691	0.3
59.01385	6.5
59.77114	0.3
60.37938	0.3
62.89936	0.3
71.01395	2.1
73.02951	1.1
75.62303	0.4
88.12363	0.4
89.02507	0.4
91.01874	0.7
95.01415	0.4
101.02459	1.3
111.47327	0.3
113.02455	1.2
119.01438	0.4
143.20880	0.3
163.00389	16.1
164.00717	0.6
170.99338	0.4
177.01981	0.5
177.09125	0.4
178.98557	0.9
190.99883	100.0
191.14413	0.4
192.00232	3.8
205.01411	0.6
206.02225	40.7
207.02669	1.7
221.04570	11.6
221.15504	0.4
222.04881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07285	3.4
59.01387	87.5
69.29375	23.3
71.01386	39.6
73.02578	3.8
73.02956	38.4
74.12144	2.4
75.00874	4.9
83.01401	4.1
85.02947	12.4
98.20631	3.0
98.21805	5.2
101.02460	18.0
113.02463	18.5
131.03534	3.3
145.68178	2.8
161.02513	5.2
161.04579	3.5
162.03262	15.9
163.00349	21.1
163.04048	4.3
177.05568	3.9
189.01944	3.4
190.99876	100.0
192.00201	6.3
206.02232	42.8
221.04584	13.2
221.08194	3.1
221.11824	7.7
222.07999	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	221.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42385	2.3
51.56356	2.3
53.18634	2.7
57.87080	2.4
59.01387	100.0
63.91333	2.2
68.55787	2.3
69.16759	5.3
69.17163	16.2
71.01391	43.2
73.02962	46.1
73.03342	4.8
75.00880	4.0
78.69422	2.7
83.01408	12.2
85.02957	10.2
89.02453	5.4
101.02457	32.0
113.02470	24.4
119.28431	2.8
131.03548	3.9
135.00977	2.6
142.64012	2.6
146.28351	3.1
190.99852	2.9
221.04521	4.7
221.11803	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	221.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98795	7.3
63.27998	5.7
63.75909	5.7
71.01380	27.7
71.05030	9.4
71.26938	9.0
73.02952	18.0
82.06891	7.4
85.02950	14.2
98.99456	6.4
101.02455	9.1
113.02471	12.3
134.03697	13.4
149.47601	6.4
149.74696	6.0
163.54173	6.2
178.98540	16.2
181.73523	7.3
190.05151	6.5
218.04790	7.1
221.15291	8.6
222.07666	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	221.067
Annotation	Ethyl glucuronide
Peak:m/z	Relative Intensity
55.01887	1.2
57.03478	1.1
58.00603	1.0
59.01385	15.8
60.99310	1.0
66.08350	1.1
71.01396	12.4
71.26157	1.7
71.81194	1.1
72.68380	0.9
72.99317	10.7
73.02953	48.1
75.00879	2.2
83.01434	1.5
85.02972	6.7
86.00126	1.3
87.00888	4.7
89.02462	1.6
93.03503	1.2
99.00911	1.6
101.02465	6.5
103.04024	100.0
109.53049	1.1
113.02470	3.8
117.01984	1.6
129.01959	1.2
131.03497	1.7
133.01485	1.4
133.05075	1.5
161.04585	2.4
205.54343	1.1
220.93089	1.1
221.04790	1.5
221.06680	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	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
54.29496	2.8
56.21167	3.2
59.01093	6.2
59.01384	100.0
61.32721	3.5
62.16146	3.2
69.03453	4.0
69.12440	17.8
69.12865	10.4
71.01389	57.7
72.99326	3.9
73.02959	50.2
75.00858	3.0
83.01386	8.5
83.05029	3.6
85.02956	18.7
89.02477	6.6
101.02456	30.8
113.02462	23.3
131.03488	3.9
149.06076	3.9
206.02184	5.0
221.04401	4.2
221.11998	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	221.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86593	7.2
53.54219	5.7
57.03426	6.4
57.40556	6.2
59.01388	100.0
68.97009	13.8
68.97418	53.1
69.03420	7.8
71.01393	45.9
73.02973	53.0
75.00907	6.7
83.01388	12.4
85.02959	15.3
95.36236	7.0
98.21822	14.0
101.02441	18.2
113.02470	56.1
131.03456	8.0
149.17200	7.0
164.80803	5.9
206.02263	15.8
221.11844	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	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
59.01385	100.0
62.77222	3.5
63.95753	3.6
65.59813	3.2
71.01386	48.0
73.02959	48.1
75.00882	7.7
76.58803	3.2
82.40881	3.6
83.01402	8.3
85.02969	16.1
87.74150	4.6
89.02469	4.7
89.59962	3.7
95.01446	4.8
95.81956	4.7
101.02467	26.5
113.02456	33.9
126.76994	3.6
159.90134	4.0
229.01100	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	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.20076	3.8
51.94210	3.8
52.47284	4.1
52.59057	4.0
59.01386	100.0
70.44542	4.2
71.01392	38.8
73.02961	39.9
75.00905	4.2
81.49902	3.9
83.01394	7.1
84.32039	4.9
85.02969	11.3
94.79300	4.5
95.71211	4.5
101.02495	21.4
113.02444	33.1
131.03557	5.8
149.20757	4.1
166.33797	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	221.0669
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
51.86593	7.2
53.54219	5.7
57.03426	6.4
57.40556	6.2
59.01388	100.0
68.97009	13.8
68.97418	53.1
69.03420	7.8
71.01393	45.9
73.02973	53.0
75.00907	6.7
83.01388	12.4
85.02959	15.3
95.36236	7.0
98.21822	14.0
101.02441	18.2
113.02470	56.1
131.03456	8.0
149.17200	7.0
164.80803	5.9
206.02263	15.8
221.11844	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	221.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33683	6.0
58.31843	5.4
59.01382	100.0
61.98828	8.4
71.01392	59.7
73.02940	11.2
74.76645	5.1
83.01388	13.2
85.02954	29.0
86.00105	6.5
87.00890	15.5
98.21794	17.0
100.89304	6.1
101.02448	35.7
113.02467	18.7
121.45033	6.0
127.05456	5.2
131.03529	13.2
143.39944	6.1
161.04573	11.9
177.05577	6.3
178.98549	16.5
197.17238	6.6
221.15378	10.6
222.07678	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	221.0822
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
52.36311	1.1
59.01381	3.6
69.03461	47.0
69.09134	10.3
71.01383	1.3
71.05029	100.0
71.17223	1.0
75.02384	3.2
78.61638	1.2
93.03463	3.5
107.05056	2.9
108.97400	1.2
113.02439	2.0
121.02968	47.8
122.03294	1.9
134.03764	17.9
135.04506	1.2
147.00882	9.8
147.08160	4.0
149.09712	12.9
165.02048	2.4
173.69353	1.2
177.09225	15.5
190.99889	2.4
193.08676	2.6
221.08197	24.7
221.11633	1.9
227.81844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.155
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01382	0.6
59.47007	0.1
61.98845	0.3
70.88997	0.2
89.55912	0.1
95.28886	0.1
100.00013	0.1
101.06107	0.2
107.54336	0.1
112.27457	0.1
119.75389	0.1
127.07668	1.4
142.01102	0.1
148.05307	0.5
149.05992	0.4
151.07683	0.7
162.83890	0.5
162.91165	0.3
164.07094	0.1
164.08455	2.4
165.09065	0.2
178.13379	0.1
178.98589	0.3
185.87679	0.2
202.88647	0.3
205.12364	2.1
206.12683	1.1
207.13922	2.2
220.14709	4.8
220.84549	0.4
221.15474	100.0
221.84230	2.0
222.07671	0.3
222.15822	4.8
223.98802	0.1
235.13416	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
52.86757	0.1
59.96730	1.0
61.98819	0.3
65.27055	0.1
70.09644	0.6
74.99079	18.4
75.96220	0.9
75.99022	0.2
76.96150	0.2
88.97263	0.1
93.00146	6.6
98.22488	0.2
114.97248	0.1
149.00969	13.5
150.01099	0.2
150.98911	0.7
167.02026	0.2
206.99709	5.8
207.99904	0.3
208.97580	0.2
220.61771	0.2
223.02855	100.0
223.13451	0.7
224.02904	6.2
225.00682	0.3
241.03918	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	223.0462
Annotation	Nifuradene
Peak:m/z	Relative Intensity
55.01868	2.1
56.23642	1.1
57.03442	5.3
59.01379	4.5
62.19974	1.2
69.03441	2.3
69.09724	10.4
69.25666	1.1
71.01382	4.2
72.98921	2.5
72.99321	48.7
74.99084	1.3
75.00889	8.0
81.03474	20.2
85.02963	42.4
87.00884	4.7
93.03495	3.1
97.02959	3.2
99.00304	1.6
99.00903	25.6
99.04501	1.1
111.00917	2.3
113.02467	7.9
117.01955	4.6
121.02961	5.2
125.02470	69.9
126.02819	1.9
129.01964	94.3
130.02255	2.2
131.03520	1.1
135.04552	1.8
143.03537	9.8
147.03017	36.1
149.02489	5.9
152.01154	1.6
161.04636	1.6
163.04074	2.0
164.04805	3.4
165.01959	1.6
169.01399	1.9
179.07153	1.9
193.01433	8.0
205.03558	45.1
206.03867	1.6
208.03799	11.2
223.02798	7.8
223.04593	100.0
223.23309	1.2
224.04955	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	223.0615
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.14274	1.4
56.57706	1.2
59.01372	1.8
68.28973	1.5
69.06090	13.2
71.67072	1.5
75.74290	1.6
78.85316	1.2
85.02934	2.2
89.13927	1.5
93.03459	18.0
98.22593	2.5
99.00895	1.6
109.02943	2.8
111.92086	1.4
118.70607	1.2
121.02969	28.8
125.02539	1.5
132.96788	1.4
135.04550	12.1
137.02478	2.8
149.02467	57.1
150.02872	1.8
152.01175	19.3
163.04048	17.9
164.04814	38.8
165.01968	14.9
167.03520	3.2
169.05092	8.6
179.07172	13.8
193.01445	71.5
208.03793	100.0
209.04091	4.2
223.02673	4.0
223.06152	45.0
224.06633	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78481	0.8
57.03443	1.2
57.62860	0.8
59.01374	0.9
65.00321	1.2
67.01903	2.4
69.24797	6.0
85.02966	3.1
93.03471	18.1
95.01374	1.4
96.41717	0.9
101.02468	0.8
109.02968	2.1
109.58228	0.8
110.93417	0.9
111.00906	1.7
119.01443	1.3
121.02967	31.8
123.00948	1.2
123.04557	1.0
135.04527	12.5
136.01701	0.9
137.02448	3.7
149.02458	74.8
150.02823	1.7
151.00403	1.2
151.03946	1.4
152.01155	20.8
163.04021	19.9
164.04814	41.4
165.01941	15.7
167.03502	4.3
169.05092	9.2
179.03638	1.5
179.07169	14.1
180.04277	1.4
193.01434	77.4
194.01801	2.6
195.03098	0.9
208.03780	100.0
209.04114	3.1
223.02695	1.6
223.06157	51.2
223.13385	2.3
224.06401	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	223.0614
Annotation	Sinapate
Peak:m/z	Relative Intensity
54.84549	0.7
63.02405	1.1
63.08111	0.8
63.75470	0.6
65.00348	2.2
67.01920	2.1
71.01376	0.8
71.27448	0.8
93.03474	18.1
106.84649	0.7
109.03010	1.7
114.70619	0.7
121.02975	29.5
123.04504	0.7
134.03793	1.1
135.04558	10.1
137.02504	2.8
142.01692	3.7
143.44894	0.9
149.02461	62.9
150.02785	1.6
151.02853	0.6
151.04021	1.8
152.01170	20.2
163.04039	18.7
164.04816	35.2
165.00710	1.4
165.01964	14.6
165.05087	1.2
167.03470	3.5
169.05083	8.0
179.07181	11.8
180.04260	1.0
193.01436	68.3
194.01782	2.6
207.02991	1.5
208.03793	100.0
209.04105	3.7
218.94569	0.7
223.02719	2.5
223.06143	45.2
224.06458	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	223.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76231	0.9
55.97806	1.0
59.01378	1.6
65.00323	2.8
67.01873	1.5
69.20503	4.7
69.20929	3.2
72.99295	1.4
74.99046	1.2
82.61847	1.0
85.02953	2.5
87.81573	1.0
91.40927	1.1
93.03473	23.8
93.72643	1.1
98.21760	1.2
107.01433	1.0
109.02917	1.7
121.02981	35.1
121.23351	1.1
124.33834	1.0
129.01945	2.4
134.03740	1.1
135.04552	13.4
136.01607	1.1
137.02460	3.6
148.01695	1.3
149.02455	78.1
150.02751	1.4
151.04065	1.9
152.01164	19.4
163.04027	18.7
164.04810	40.3
165.01967	15.8
165.05191	1.2
167.03537	3.7
169.05086	10.8
179.07149	15.2
182.38589	1.1
193.01434	88.9
194.01743	2.8
205.03525	1.7
207.02934	1.3
208.03792	100.0
209.04086	4.2
223.02724	4.6
223.06137	50.9
224.06532	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	223.1343
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.38626	1.4
59.01392	8.8
61.98832	16.5
69.03474	7.6
70.16318	5.7
71.05020	2.5
74.99093	1.8
78.95912	1.6
80.57430	1.5
90.12338	1.4
95.05021	1.6
96.96008	2.2
109.06596	2.5
141.86830	6.2
151.04002	3.3
164.83633	3.3
165.01927	3.0
166.06375	10.0
167.10785	8.0
176.83737	12.3
177.12822	2.5
179.10826	6.1
179.14403	10.6
193.01352	2.3
195.13922	35.0
205.12350	18.4
208.03828	3.9
222.84322	3.8
223.02831	20.5
223.13416	100.0
223.83937	5.1
224.13712	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	225.0771
Annotation	Ficusol
Peak:m/z	Relative Intensity
56.06766	0.8
59.01377	3.5
59.11827	0.9
59.47398	0.8
68.63613	0.8
68.70725	0.8
69.91871	1.9
69.92268	2.0
84.62530	0.7
85.02907	0.8
93.03473	3.6
95.01411	1.2
109.02971	3.5
123.00870	1.5
123.04553	1.1
136.98935	1.2
137.02461	29.0
138.03285	1.3
141.60725	0.8
165.01950	98.9
166.02249	2.2
179.03554	1.6
180.04303	100.0
181.04660	3.3
195.03015	36.7
195.06639	80.2
195.40152	0.8
196.06966	2.5
210.05359	52.7
211.05753	1.9
225.07706	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58525	0.8
57.03465	0.9
59.01387	26.0
60.02132	0.8
63.62587	0.7
65.36364	0.7
69.34921	4.5
70.41633	0.7
81.03482	1.6
93.03497	2.4
95.01392	4.8
95.05050	1.3
97.06609	1.9
100.61192	0.8
109.02982	0.9
123.00899	29.7
123.04579	1.0
125.02441	3.5
130.05350	0.8
137.02502	2.9
138.03246	1.1
139.00415	2.0
139.04027	0.9
139.79247	0.8
149.02499	2.1
150.03217	1.9
151.00380	12.1
151.01576	0.8
151.04083	1.2
152.01225	4.6
153.01973	2.6
153.05586	1.0
164.04805	1.1
165.02011	1.6
167.03531	5.2
177.01932	4.9
180.04370	1.2
191.82809	0.8
192.04320	3.7
195.03008	74.0
196.03322	1.3
207.06670	1.4
209.04610	2.1
210.05362	100.0
211.05682	3.7
225.07712	52.2
225.11046	6.7
226.08150	1.7
237.95401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74533	0.7
57.03457	34.1
59.01377	3.3
69.03465	6.0
71.05027	8.1
71.28455	1.0
81.03454	1.4
83.05024	1.7
92.99817	1.9
93.03462	0.9
95.05038	0.8
97.03033	0.9
97.06585	2.8
100.92260	0.8
107.05048	0.8
109.06606	6.0
115.07655	1.0
121.06596	3.3
121.10217	2.1
121.58651	0.7
123.08178	9.2
124.94257	0.8
125.09763	2.0
135.08153	1.7
137.09746	29.5
138.10072	1.0
147.08229	0.8
149.09763	1.1
151.07649	1.2
151.11307	10.4
153.09218	1.4
153.12868	12.7
163.11314	8.7
164.11644	0.8
179.10880	1.0
179.14412	5.7
181.12379	11.6
189.12857	2.4
190.13132	0.9
191.10721	1.0
192.97795	1.8
195.13933	27.0
195.51833	0.8
196.14203	1.1
197.15486	26.6
205.12335	1.4
207.13919	17.5
208.14262	1.3
214.34077	0.8
225.14987	100.0
226.15405	4.9
241.14670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76281	1.1
55.01877	1.0
57.03451	26.5
59.01374	5.3
59.12685	1.2
69.03466	5.4
69.04592	8.9
69.12277	0.9
71.05033	6.6
83.05038	1.6
85.25940	0.9
93.79678	0.9
97.06612	2.8
98.21264	1.0
98.21803	2.2
107.05051	1.3
109.06583	6.7
121.06617	2.0
121.10257	3.5
123.08207	7.1
125.09734	1.5
129.61755	0.9
135.04524	1.0
135.08231	1.5
137.02480	0.9
137.09747	26.3
138.10008	1.2
151.04039	1.5
151.07634	1.3
151.11313	12.1
153.12869	13.4
163.11340	9.6
165.01974	2.2
179.10837	1.7
179.14449	4.3
180.04301	1.4
181.12366	10.2
189.12920	1.7
191.10896	1.8
195.06660	3.0
195.13907	21.1
197.15497	22.9
205.12343	1.2
207.13939	17.9
210.05373	1.3
225.11415	2.4
225.14986	100.0
226.15344	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	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54019	0.9
54.69884	1.1
57.03188	1.6
57.03458	31.1
58.48608	0.9
59.01384	12.9
59.10346	0.9
62.38403	0.9
63.72853	1.1
66.52138	0.9
69.03452	4.7
71.05035	7.1
71.27283	1.6
81.03437	1.4
83.05048	2.0
93.03483	1.4
95.05043	1.1
97.06602	1.9
109.06603	5.8
110.47343	1.0
119.47604	0.9
121.06650	2.0
121.10267	1.9
123.08200	8.2
125.09731	1.6
135.04515	1.0
135.08192	1.6
137.02466	1.2
137.09740	25.8
149.09729	1.3
151.07571	1.4
151.11305	11.3
153.09219	1.8
153.12869	12.3
163.11299	9.4
179.14384	5.0
181.12344	12.5
182.03418	1.0
189.12836	2.3
191.10820	2.1
195.13925	19.8
196.14253	1.1
197.15485	25.4
207.13945	18.7
217.03636	1.1
225.11389	3.0
225.14981	100.0
226.15398	5.5
241.14430	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	225.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03187	2.0
57.03455	33.1
59.01393	11.8
64.91274	1.3
66.55372	1.1
69.03075	10.6
69.03443	5.7
71.05031	7.9
74.33535	1.1
81.03477	1.2
83.05019	2.9
83.27789	1.3
93.03453	1.4
95.05071	1.5
97.06608	2.2
107.05016	1.5
109.06593	7.4
111.04552	2.2
121.06585	2.5
121.10258	2.9
123.08177	10.1
125.09740	2.0
128.09549	1.1
135.04572	1.6
135.08209	1.7
137.09741	27.4
147.08130	1.7
151.11302	9.6
153.09306	1.1
153.12865	12.4
163.11295	10.0
165.01950	1.9
166.59630	1.1
179.10818	1.6
179.14465	4.8
181.12360	11.4
189.12885	2.4
195.13927	27.1
197.15491	23.9
205.12265	1.6
207.05211	2.7
207.13931	19.7
208.14165	1.7
225.14990	100.0
226.15350	4.2
241.14584	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	225.1499
Annotation	MKN-003C
Peak:m/z	Relative Intensity
57.03443	3.7
59.01097	1.9
59.01382	28.7
61.98822	3.1
70.71947	1.6
70.72286	1.5
72.91574	1.0
77.07764	1.1
88.98898	1.0
93.03479	3.2
103.19395	1.1
109.75912	1.0
113.10752	1.0
136.35652	1.1
137.02452	1.5
139.13918	1.0
165.12872	5.2
178.83398	2.7
181.15990	29.6
193.12360	4.5
195.06636	1.2
207.13892	12.8
225.00571	1.5
225.05788	1.3
225.14983	100.0
226.15331	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
58.02963	0.5
59.01381	1.6
59.21467	0.4
69.40005	1.2
69.40413	1.9
78.75512	0.4
80.05097	0.7
81.03465	16.5
83.05037	90.4
84.05379	1.7
93.03471	2.2
93.19553	0.5
95.01404	0.8
98.21863	0.9
101.22499	0.5
107.06118	0.7
108.04549	0.9
113.04789	0.5
119.05051	1.0
123.00909	4.8
125.07214	4.5
126.01628	0.5
135.04547	0.8
137.02460	1.4
143.08244	3.8
148.75453	0.5
151.00366	0.8
152.01186	0.9
153.01994	0.7
163.03969	0.6
165.01892	2.3
178.36571	0.5
180.04309	2.4
181.04990	0.5
195.03024	10.8
195.06721	2.0
196.03389	0.7
207.15088	11.5
210.05373	13.1
211.05721	0.8
222.03889	0.5
225.00458	0.7
225.02386	0.5
225.07709	6.7
225.16115	100.0
226.16473	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	226.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.6
59.01376	4.6
67.45183	3.4
71.01392	28.0
72.99320	4.4
73.02944	8.0
76.60086	3.7
77.43455	3.1
80.55983	3.4
83.01382	12.8
85.02956	7.6
99.00891	37.4
103.83500	3.3
111.00882	28.8
112.98827	100.0
124.98891	4.3
129.01965	18.4
142.99864	10.4
151.04033	4.7
173.00928	24.2
178.62846	3.6
225.34154	3.6
226.99565	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.37054	0.7
57.03456	1.7
59.01385	100.0
69.46536	2.5
69.46954	1.3
91.02365	0.7
98.21832	0.7
99.25567	0.6
109.06648	0.7
142.22517	0.8
156.81694	0.6
165.12895	0.9
227.09398	0.8
227.12914	19.1
227.15076	1.0
227.20334	1.1
228.13226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51660	0.6
57.03454	1.4
57.03813	0.6
59.01385	100.0
60.01736	0.8
60.96354	0.6
68.98546	6.6
74.20767	0.7
92.16256	0.6
97.06658	1.0
98.22493	1.1
131.34584	0.7
163.55380	0.7
165.12894	1.7
227.09445	0.8
227.12897	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	227.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70200	0.2
57.03451	1.3
59.01385	100.0
60.01715	0.7
60.99318	0.4
65.16251	0.2
69.27770	1.4
70.06652	0.2
72.30089	0.2
95.05033	0.5
97.06625	0.6
109.06602	0.5
134.55267	0.2
136.69658	0.2
154.89056	0.2
160.95729	0.2
165.12909	1.0
167.10786	0.7
181.12404	0.3
183.13815	0.2
196.30038	0.2
227.12914	17.5
227.20224	0.3
228.13249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
59.01381	2.8
70.18440	1.6
71.28419	1.8
71.28783	2.1
73.90018	1.8
77.94302	1.4
92.09666	1.8
139.11302	1.5
153.12924	1.8
165.12869	20.3
183.13924	100.0
184.14262	2.7
197.29904	1.8
209.11848	8.6
225.57585	1.8
227.12910	23.4
227.16533	3.9
227.20184	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	227.1293
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
59.01379	1.5
70.84252	1.6
70.84586	1.3
80.02686	2.8
81.03477	2.0
83.05039	5.9
84.02202	3.6
85.02882	1.2
95.05065	1.2
96.18777	1.0
97.06567	1.3
97.83479	1.0
139.11333	2.4
163.11334	4.3
165.12860	4.1
181.12434	1.2
183.13895	1.2
191.10887	2.6
200.09012	0.9
209.11855	100.0
210.12180	3.3
227.12955	3.2
227.20274	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	227.1293
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.22541	0.5
53.66323	0.4
59.01385	1.2
69.03466	0.5
72.05735	0.5
88.84946	0.5
111.08160	1.3
165.12860	16.8
166.13162	0.8
183.13916	100.0
184.14229	1.9
195.18556	0.5
209.11894	1.8
227.12918	15.9
227.16528	1.0
227.20184	1.1
228.13187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.84205	0.6
54.91053	0.3
59.01371	0.4
63.60690	0.4
69.63834	2.2
93.03521	0.3
98.21857	0.6
114.98658	0.4
160.09633	0.3
165.12856	0.8
183.13919	100.0
184.14270	3.5
209.11891	0.6
212.80569	0.4
227.12912	72.2
228.13237	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	229.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62892	0.8
59.01386	100.0
60.01716	0.9
60.55215	0.7
62.61927	0.7
70.42487	2.2
75.59228	0.8
85.00449	2.7
86.27861	0.8
88.25517	0.8
91.12209	0.8
103.01511	67.9
105.60370	0.8
124.26825	0.7
140.60628	0.7
159.62817	0.8
167.87094	4.8
167.99583	0.8
176.45390	0.7
182.93108	2.1
186.94493	1.3
196.99405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.087
Annotation	Senoxepin
Peak:m/z	Relative Intensity
59.01378	13.7
61.08389	2.8
61.98833	3.2
71.25446	4.9
86.43781	3.5
94.34035	3.2
103.01508	7.5
105.51295	3.9
116.92874	9.5
156.92305	2.9
159.06839	5.1
159.08167	100.0
167.87140	11.2
170.88373	23.1
172.81676	3.5
185.09708	5.4
229.08679	7.5
230.15422	3.9
237.04156	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03448	1.9
57.42389	0.4
62.42469	0.3
71.05012	1.2
73.90163	0.3
84.02147	0.7
85.02962	0.9
85.42316	0.3
97.06605	0.7
97.13150	0.3
98.21774	1.1
102.51197	0.3
109.71821	0.4
115.93709	0.4
125.09753	4.3
127.11306	5.6
155.14453	2.9
159.08148	0.5
165.12854	0.9
167.14436	2.2
171.10315	0.6
183.13921	0.7
185.15530	0.8
209.11827	2.2
211.13423	3.6
229.14464	100.0
230.14809	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	229.1448
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.98070	1.0
59.01372	4.2
60.00019	0.9
70.37776	4.0
77.08364	1.0
82.90037	1.0
94.92485	1.0
103.01537	1.1
137.06287	1.1
153.12859	3.9
157.67006	1.2
165.12813	1.1
167.14432	32.0
167.87160	1.2
170.88341	1.9
197.11816	3.0
211.13406	38.6
212.13802	1.4
215.12965	2.7
229.14462	100.0
230.14853	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
55.01879	0.2
57.03457	1.6
59.01402	0.2
66.03455	0.2
71.05016	0.7
83.05032	0.5
84.02178	0.5
85.02967	0.8
89.92171	0.2
95.05034	0.2
97.06595	0.5
97.07240	0.2
123.08181	0.3
125.09743	2.8
127.10372	0.3
127.11314	4.8
128.11609	0.2
134.75977	0.2
155.14415	1.9
165.12914	0.9
167.14424	2.1
169.55884	0.2
171.10289	4.5
182.49524	0.1
183.13914	1.2
185.15529	0.3
190.51395	0.2
193.12373	0.4
194.80727	0.2
201.14975	0.4
209.11856	2.9
211.13423	7.7
212.13795	0.3
227.12924	0.2
229.14459	100.0
229.56691	0.3
230.14789	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.40238	0.3
57.03432	1.3
58.75079	0.3
59.01374	0.6
59.51508	0.4
70.77539	0.3
82.85396	0.3
83.05019	0.8
84.02181	0.5
85.02955	0.6
94.66414	0.3
98.21710	0.6
112.51985	0.3
123.08163	0.3
125.09747	2.2
127.11298	3.7
155.14398	1.4
159.08208	0.6
165.12831	0.7
167.10802	0.4
167.14421	2.7
171.10298	4.5
183.13889	1.7
185.07161	0.8
185.11816	0.7
193.12297	0.9
209.11833	3.6
211.13409	10.6
212.13596	0.4
229.14461	100.0
230.14821	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.02621	0.3
57.03441	1.3
59.01370	0.9
60.38446	0.3
66.45027	0.3
69.26721	0.9
69.27151	1.7
71.05020	0.6
76.53954	0.3
83.05047	0.4
84.02190	0.4
85.02954	0.6
91.25146	0.3
96.87988	0.3
97.06631	0.4
113.23151	0.3
119.52314	0.3
125.09738	2.8
127.11311	5.1
132.15654	0.3
143.10725	0.3
155.14420	1.8
165.12837	1.0
167.14424	3.0
171.10295	4.0
172.80852	0.3
183.13950	1.0
193.12300	0.4
199.13327	0.3
201.14986	0.3
209.11818	3.3
211.13409	8.0
218.38493	0.3
229.14461	100.0
230.14841	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	229.1559
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
57.03439	0.9
59.01396	0.7
68.99886	0.7
69.06878	5.7
71.01382	1.0
79.86012	0.7
93.03487	1.8
102.57550	0.7
105.03495	0.8
114.09251	1.6
115.08773	6.0
116.39883	0.6
130.08754	41.8
131.09103	0.8
185.11937	1.3
185.16605	33.5
186.17021	1.0
221.55283	0.7
229.10997	4.7
229.15590	100.0
230.15871	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37550	0.9
56.09545	0.9
56.75996	1.1
60.29075	1.0
66.03509	1.7
70.66484	2.3
72.99321	2.5
73.01180	7.4
73.04073	3.8
80.05077	2.9
81.45866	0.9
82.03011	7.1
90.45506	0.9
96.04576	26.8
98.50999	1.1
98.99129	4.4
108.03835	1.6
108.04581	30.6
114.00218	88.4
115.00600	1.0
121.73430	1.0
130.08766	26.2
130.66412	1.1
132.98241	1.4
142.03352	100.0
143.03670	1.5
143.10965	1.0
143.11937	5.1
186.02339	35.3
187.10912	26.3
188.97238	3.8
230.01328	68.8
230.15527	2.1
231.01558	2.3
231.08810	1.1
231.13522	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	231.0876
Annotation	Jioglutin C
Peak:m/z	Relative Intensity
50.53193	1.5
52.37417	1.5
57.03456	30.4
59.01093	2.6
59.01383	41.3
64.16458	1.8
67.01902	2.0
67.05542	2.7
69.03466	9.8
69.35111	8.8
69.35516	2.5
71.01353	1.8
71.65175	1.6
72.37366	1.6
72.99307	14.9
73.02956	4.6
73.04071	2.9
78.95908	3.5
82.36855	1.6
83.05046	2.6
85.02936	1.5
87.00885	7.1
101.02447	19.1
103.04024	1.9
107.08678	5.3
109.06602	100.0
110.06940	2.0
111.04540	19.2
111.13284	1.5
112.15751	1.6
112.66703	1.3
129.05559	2.6
130.08742	13.4
132.98232	6.9
143.11879	4.9
145.01445	3.2
151.07643	2.0
163.18059	1.5
169.08734	6.0
170.88278	3.3
171.06633	22.7
184.43208	2.1
187.10986	14.6
188.97182	14.5
213.07779	2.0
230.97945	1.9
231.02913	5.9
231.08751	52.6
231.13632	2.3
232.08942	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	231.1352
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.88874	0.7
56.28613	0.7
57.03444	2.1
59.01387	6.0
60.21437	0.8
61.08481	0.7
62.63295	0.6
69.53622	3.1
72.99324	6.3
73.02939	1.0
73.04080	16.5
75.98126	0.8
78.95888	1.7
84.42861	0.7
96.04558	1.2
97.04882	1.6
101.02442	1.4
102.18820	0.7
105.87416	0.7
108.04562	1.4
109.04898	1.3
109.06609	5.0
114.00199	3.4
114.09238	0.9
115.00528	2.1
115.99812	1.6
130.08757	88.3
132.98224	2.9
141.10310	1.0
142.03287	0.9
143.03682	4.3
143.11909	24.8
145.01367	1.3
163.76363	0.8
164.07185	1.2
170.88301	1.2
171.06697	1.3
187.02654	2.5
187.10899	100.0
188.11246	3.2
188.97214	5.7
231.01582	3.9
231.08838	4.3
231.13515	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	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12036	3.7
59.01377	47.1
67.01897	4.8
69.20396	3.7
71.01398	21.1
72.99317	5.4
83.01385	7.1
85.02941	3.8
87.00883	9.1
93.03472	27.9
99.00867	5.4
101.80244	3.4
111.00873	7.3
111.04543	9.8
120.96498	4.0
129.01953	8.4
145.00877	8.5
156.97171	3.7
173.04575	20.7
180.49693	3.6
191.05594	4.8
207.50436	3.5
232.98770	7.4
233.06662	24.5
233.15495	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22038	0.5
56.29100	0.4
59.18777	0.5
59.70911	0.5
59.96737	0.7
60.97514	0.6
69.06066	2.9
69.06474	0.7
74.99080	8.2
75.96241	0.4
91.02219	0.7
93.00136	3.0
98.06946	0.5
104.11033	0.4
118.96270	1.3
123.07931	0.4
134.99425	8.3
135.00453	0.5
136.97334	3.2
143.05377	0.7
149.00974	75.0
150.00931	2.1
150.98878	1.5
156.79610	0.4
159.08479	1.6
161.06421	4.5
215.05717	1.0
217.07228	100.0
218.07339	5.1
233.10361	99.7
233.12924	1.2
233.15407	20.2
234.10527	6.0
234.15776	0.7
235.08359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11645	0.7
59.01382	43.9
59.37836	0.8
69.40157	1.5
69.40562	3.2
71.01378	2.4
72.99303	1.2
73.02962	5.4
75.00865	1.0
85.02951	1.3
88.04056	7.1
90.26435	0.7
99.05630	0.9
101.02473	1.3
113.02493	1.3
117.05594	100.0
119.05038	1.4
120.05450	0.8
122.44964	0.8
144.04558	1.0
145.83151	0.8
147.04565	1.6
163.04057	1.1
164.07242	1.8
164.37750	0.9
174.05721	1.0
176.39293	0.8
228.77989	0.8
235.02681	1.1
235.08191	2.9
235.10936	4.6
235.13289	1.4
235.16537	1.3
236.09326	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	235.1342
Annotation	Lemnaliadione
Peak:m/z	Relative Intensity
52.77085	1.3
57.03439	5.4
65.03958	4.5
66.32057	1.4
69.03456	2.2
79.05518	2.0
79.33973	1.3
81.03462	4.9
83.05031	19.8
85.06567	3.3
93.03458	4.4
93.07097	3.6
95.05029	14.1
97.06607	7.9
105.07108	1.4
106.04254	6.6
107.05083	2.6
109.02984	2.5
109.06613	3.7
111.04526	3.1
113.06092	4.0
119.05011	2.8
120.05802	1.8
121.02964	4.0
121.06608	58.9
121.27003	1.6
122.06883	1.6
123.04591	1.7
123.08195	22.9
127.07612	2.5
129.09247	5.3
133.03062	1.4
135.08182	3.1
137.09732	2.4
139.07687	1.5
147.04518	3.3
147.08134	2.3
148.05345	2.6
149.06050	1.9
150.06770	1.7
153.09203	4.1
155.10873	1.5
155.29387	1.4
161.06168	1.9
161.09743	2.5
162.06892	7.0
163.07640	2.3
163.11348	2.0
167.10803	3.5
167.78499	1.5
175.07550	1.5
177.09267	2.2
179.10767	2.1
187.11319	3.8
193.12396	1.5
205.12315	5.4
207.13858	3.2
217.12387	4.9
220.11115	2.7
235.13412	100.0
236.13730	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	235.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06797	3.8
57.03467	3.8
59.01390	20.5
65.03967	4.4
69.22564	30.7
77.97112	3.6
81.03471	4.5
83.05027	23.2
85.02956	4.8
93.03489	6.3
95.01370	3.8
95.05031	12.0
97.06607	9.7
106.04267	6.5
113.06091	5.6
121.06599	56.5
123.08202	26.7
167.10756	6.7
205.12427	7.0
207.13937	6.0
217.12273	4.8
235.13460	100.0
235.15845	6.4
235.16805	4.7
257.33658	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	235.1342
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
51.44788	1.5
54.65676	1.5
59.01383	100.0
75.78079	1.5
76.63637	2.0
88.40410	1.6
90.44775	1.4
94.03023	2.0
95.05019	2.1
98.22719	3.5
109.06647	2.6
110.69311	1.8
116.88863	1.6
163.11293	36.1
163.12564	2.9
191.14421	17.5
195.75197	1.7
207.14064	2.2
214.49255	1.8
217.12309	3.1
235.07942	3.6
235.13440	39.1
235.15826	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	236.093
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
51.71278	0.6
59.01382	2.7
61.98831	0.7
69.46658	4.0
71.01379	2.6
72.00912	1.6
73.02943	2.9
78.95908	4.2
86.02474	0.9
87.00887	2.5
88.04050	100.0
89.04379	1.1
90.02728	0.7
91.05528	2.2
96.49725	0.7
98.22527	1.0
100.04057	11.5
101.02445	1.1
108.04582	1.0
109.02808	0.7
117.05607	0.9
118.06651	1.4
135.04575	1.1
138.01981	1.4
144.04517	1.4
144.08134	0.7
146.06081	0.7
146.09770	5.9
147.04546	19.4
148.04004	0.8
149.06075	2.2
152.35211	0.6
162.05598	2.2
164.07185	17.5
168.52283	0.8
172.04086	1.1
174.05627	1.3
174.09282	3.4
182.59369	0.7
190.08734	3.6
192.06720	0.9
192.10321	16.8
193.13705	0.6
196.18452	0.6
213.10872	0.9
229.28308	0.7
236.05524	1.8
236.09305	65.2
237.09683	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	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57431	0.2
61.98843	0.2
70.27667	0.5
81.80840	0.2
97.01750	0.2
111.04530	0.3
134.03786	0.7
135.04581	0.4
136.05287	0.4
147.04518	0.2
148.05315	10.8
149.06000	0.6
149.09743	1.6
162.06938	0.3
175.07668	0.6
176.08461	1.2
177.09230	50.6
178.09593	2.0
179.10767	0.2
179.90686	0.2
180.07864	0.3
190.09995	2.1
191.07260	0.2
191.10818	1.0
192.11584	35.0
193.11993	1.8
201.09183	0.5
203.07138	1.0
217.08725	4.1
218.09509	9.7
219.09891	0.4
224.10492	0.2
236.10565	100.0
237.10931	4.7
237.14865	0.2
251.92409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.01864	1.2
57.03446	3.1
59.01395	9.7
70.43643	3.6
71.01382	5.1
72.99309	2.2
75.00883	38.2
76.92808	1.3
78.95911	12.5
79.27240	1.2
85.02956	5.0
87.00890	100.0
89.02462	4.0
94.92570	1.2
96.14230	1.2
101.02442	3.0
113.02479	3.2
119.03503	1.4
129.01956	17.6
130.46951	1.1
138.69814	1.2
154.91599	3.6
155.64264	1.2
177.01125	1.2
218.86809	1.9
237.06183	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03445	2.7
59.01380	26.4
69.24013	14.0
71.01388	17.6
73.02956	2.6
75.00883	100.0
78.95905	10.6
83.01401	4.1
85.02963	4.1
87.00887	84.1
87.18707	1.9
89.02457	9.7
101.02432	12.9
113.02442	5.6
119.03565	3.2
125.23441	2.0
125.61590	2.2
129.01974	15.2
137.80582	1.9
161.04617	2.0
193.81964	2.3
194.93669	2.3
201.71188	1.9
232.73854	1.8
237.03796	3.9
237.06186	81.5
238.06548	2.0
245.34668	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	237.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.5
57.03458	6.9
58.00592	3.1
59.01385	88.4
59.33123	1.4
70.66778	2.9
71.01392	100.0
72.99301	3.8
73.02955	41.0
75.00861	5.2
83.01396	18.3
85.02960	49.1
87.00883	5.1
89.02457	12.7
94.27151	1.4
95.01393	7.1
97.02956	2.3
99.00897	13.7
101.02454	98.8
111.00885	2.2
113.02461	41.4
119.03498	2.6
125.02412	2.5
129.01913	1.8
130.19893	1.4
143.03505	3.9
159.03041	8.5
159.49333	1.4
161.04579	35.2
198.91611	1.3
237.09834	19.6
257.66525	1.3
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	Rumphellolide C
Peak:m/z	Relative Intensity
59.01387	3.4
66.23508	1.1
69.03446	4.9
70.40797	1.3
70.41115	1.8
71.01373	1.6
108.45657	1.3
116.92831	1.4
121.02963	1.3
133.34363	1.4
134.05556	1.4
135.79236	1.5
144.69907	1.2
161.68518	1.1
165.12822	1.4
167.10789	5.5
177.12878	17.8
179.10748	1.5
193.12355	1.6
193.15996	7.9
219.13965	8.5
237.14966	100.0
237.18639	2.5
238.15361	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1499
Annotation	(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Peak:m/z	Relative Intensity
54.23252	0.8
57.03432	1.0
58.36162	0.7
59.01385	20.5
69.70478	0.8
70.38723	1.7
78.95916	0.8
80.02673	3.5
80.03105	0.7
81.03468	6.3
84.94139	0.7
87.04532	1.0
89.90923	0.7
108.44791	0.9
123.08183	10.5
125.09732	11.7
135.08171	1.0
137.09705	3.9
149.09731	4.3
153.84627	0.8
163.11263	1.7
165.12866	12.3
166.13054	0.9
169.08806	1.4
179.10756	2.1
185.54713	0.8
191.14430	2.9
193.16075	4.6
237.14975	100.0
238.15346	4.0
243.90833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60400	1.3
69.70355	6.0
71.01387	9.7
72.99308	19.7
79.63916	1.6
92.05076	16.5
99.00875	2.4
114.56273	1.2
118.06665	3.8
120.04565	24.7
128.04233	2.1
128.05093	22.4
130.06644	100.0
131.03770	11.8
131.06967	3.7
138.11003	1.2
143.81416	1.2
144.04555	4.4
146.06133	38.3
148.04070	16.2
148.07718	4.6
158.06136	13.9
172.04010	3.9
174.05626	4.9
176.07173	31.7
210.07739	8.0
220.06152	29.9
221.06381	1.6
238.04808	2.9
238.07230	51.8
239.07448	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	239.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.2
59.96717	0.7
69.28007	1.4
74.99082	11.4
75.96232	0.6
82.48324	0.2
91.02225	9.3
93.00148	4.5
98.21813	0.4
107.27235	0.2
149.00977	5.7
150.00928	0.2
206.99707	3.0
221.11874	0.2
223.02861	100.0
224.00642	0.4
224.02908	4.9
225.00763	0.2
239.06235	0.6
241.03900	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	239.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40575	5.2
59.01383	100.0
62.56801	6.4
70.71864	5.8
71.01394	18.7
71.25864	7.9
72.99338	7.3
78.95933	15.1
85.02954	31.1
87.00887	24.2
89.02467	22.9
99.00835	7.3
105.31049	5.6
107.37481	5.7
130.52739	5.3
131.03548	14.9
150.78778	5.3
161.04567	19.5
171.12587	5.0
178.96019	10.7
179.05621	79.3
199.66656	5.4
221.06725	48.5
223.02853	7.6
226.23892	5.2
234.24425	5.1
239.07799	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83688	0.7
53.97086	0.7
57.24349	0.6
59.01388	3.6
69.07351	1.7
69.07757	5.4
72.39893	0.7
74.99079	0.8
74.99505	0.7
87.00851	0.8
91.05532	0.8
119.05057	8.3
129.03482	11.8
130.04251	1.7
135.04478	0.9
145.02994	2.1
146.03741	3.0
147.04539	59.3
148.04903	1.8
160.05225	1.2
163.04031	1.1
164.04814	13.8
165.05588	100.0
166.05917	3.3
179.05626	1.5
196.06137	0.8
206.06007	0.8
223.02858	2.8
239.05762	0.8
239.06865	1.0
239.09242	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	239.1655
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
53.45985	3.3
59.01379	14.4
60.08357	3.1
61.98836	5.4
71.27808	4.2
73.06358	3.6
85.46884	3.5
96.96011	5.1
137.25826	3.9
143.16228	4.2
151.58128	4.9
154.04240	3.5
160.84222	11.4
179.14436	37.9
195.13957	8.4
195.17548	14.3
221.15524	27.6
223.02708	19.0
235.89908	3.9
238.87802	4.7
239.06779	7.1
239.12854	6.1
239.16560	100.0
240.16968	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	241.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73846	1.0
57.30754	1.0
59.01387	5.0
69.13722	2.9
69.14149	5.2
95.01402	1.5
97.02934	1.2
98.22548	2.1
109.02969	1.4
123.00899	8.8
124.01624	0.9
125.02406	1.4
135.00902	7.3
138.03252	4.6
139.00400	2.2
139.04013	4.4
149.02495	1.8
150.03230	3.4
151.00357	1.2
153.01952	25.8
153.05585	4.6
163.00385	72.7
165.05617	1.2
166.02765	1.0
167.07114	2.1
178.02731	90.5
179.03336	3.0
181.01443	40.9
182.01886	1.6
183.06633	25.1
184.06966	1.3
193.05067	63.1
194.05479	2.3
195.03014	1.3
196.03784	10.3
209.04558	1.3
211.02582	4.7
211.06128	100.0
212.06464	3.7
226.04892	14.7
241.07208	43.0
241.10976	3.1
241.21745	2.3
242.07574	2.4
264.51379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.145
Annotation	A factor
Peak:m/z	Relative Intensity
54.10038	0.6
55.46480	0.7
56.23605	0.6
60.91117	0.6
72.99292	0.8
77.18914	0.8
78.82570	0.6
98.14069	0.7
113.28058	0.7
134.89516	0.7
135.52858	0.6
163.11307	3.9
165.54477	0.6
177.12874	1.4
179.14439	53.5
180.14769	2.1
197.06131	0.8
197.15497	48.1
198.15840	1.6
213.14973	1.1
223.13484	3.7
241.14488	100.0
242.14845	4.1
242.17035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65993	2.0
54.78651	1.8
55.01865	5.8
57.03439	2.4
59.01375	5.8
62.06325	1.6
66.23621	1.7
69.03474	2.0
71.25939	3.7
82.02993	18.1
83.01388	8.1
84.04553	2.9
85.02940	2.2
85.06587	8.4
91.28064	1.7
94.02993	3.4
97.02946	4.9
98.02496	6.5
99.04541	2.1
100.04055	8.2
107.05047	26.2
110.02493	8.4
110.06134	6.6
111.03264	4.2
112.04040	17.5
112.07693	80.4
124.04039	9.1
124.07683	8.9
125.06091	8.3
126.05585	2.0
126.09254	6.1
132.98204	2.4
134.06075	5.1
136.07695	20.1
137.06061	7.5
138.05646	3.7
140.03577	2.3
140.07207	34.8
142.05125	1.9
150.05623	1.8
151.15038	1.7
152.07181	4.4
153.05571	4.4
154.08765	5.9
155.07121	3.3
168.06639	3.1
170.08244	12.3
171.99069	1.9
174.99249	1.8
180.06676	7.1
196.06169	35.6
198.07730	49.4
201.50418	1.9
211.88432	2.0
214.07220	15.0
242.06721	100.0
243.06866	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	242.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19489	1.3
58.02971	1.4
62.57804	1.3
70.16885	2.9
70.17271	3.5
74.99082	1.4
82.06636	2.5
100.07693	1.7
134.89526	2.7
160.84180	1.5
170.15514	16.8
190.92776	1.6
198.15007	100.0
199.15227	2.3
226.02657	19.4
227.02461	3.1
241.79451	2.9
242.13945	3.0
242.17706	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0625
Annotation	Uridine
Peak:m/z	Relative Intensity
60.54802	0.8
66.03164	1.3
66.03495	13.8
68.01407	3.3
68.40916	0.7
70.66791	1.4
71.01380	2.2
71.63534	0.8
79.50494	0.8
81.00657	0.7
81.02226	1.0
82.02998	28.3
83.01405	1.3
83.32632	0.7
94.02999	2.5
96.04585	1.4
108.04585	1.9
110.02496	100.0
111.02024	5.9
111.02804	1.9
122.02489	8.2
124.04048	3.0
130.88266	0.9
138.05608	1.2
140.03551	10.3
152.03558	16.4
153.03084	8.3
179.11464	0.9
182.04607	1.1
200.05670	35.6
201.06033	1.5
243.06239	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40195	1.2
57.03453	3.3
59.01385	85.0
68.98098	5.2
68.98513	9.7
71.50064	1.4
73.02947	5.2
98.35411	1.4
129.05573	1.6
139.11311	48.0
140.11594	2.4
157.37692	1.3
163.11281	2.4
165.09215	2.4
181.12370	31.3
182.12666	1.5
183.10287	74.2
184.10622	1.9
199.13420	27.2
202.71208	1.5
211.95845	1.9
212.44725	1.8
225.11343	18.2
243.12396	100.0
244.12712	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01388	63.8
59.15984	1.0
69.03451	1.5
71.26785	1.8
72.99314	9.8
79.39991	1.1
82.02968	1.2
83.05057	1.6
85.00464	1.3
85.06591	2.7
107.08679	4.3
110.02448	1.5
125.09722	2.5
139.11284	5.1
155.10794	3.6
158.76143	1.2
166.05969	1.1
175.03964	1.2
181.12416	2.0
183.10291	69.3
184.10626	1.5
199.03995	1.9
201.11354	100.0
202.11734	3.0
223.02126	1.2
243.02988	5.6
243.12318	6.1
256.69684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
53.52621	2.4
57.03445	5.0
59.01096	4.6
59.01385	81.0
61.32849	2.6
65.85050	2.8
67.71873	3.0
73.02947	3.8
85.00465	3.0
98.22623	5.7
101.05966	3.0
133.55338	2.6
139.11295	39.6
155.10820	3.5
181.12352	31.5
183.10272	68.1
184.10515	2.7
199.13440	32.1
207.10258	7.4
225.11360	37.7
229.05101	3.4
243.06682	3.2
243.12390	100.0
244.12709	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	243.1239
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
58.46679	0.8
59.01376	1.1
69.07226	7.6
71.05008	3.5
77.51643	0.8
83.05055	1.3
89.03963	1.2
89.42867	0.7
96.68015	0.7
97.02956	4.5
97.06572	1.4
98.21680	1.3
99.00890	18.1
109.06616	0.9
110.03728	1.4
123.08204	1.1
125.09719	5.5
129.79095	0.7
135.08234	0.8
142.02690	1.4
155.14417	1.3
156.05771	1.1
162.57021	0.8
163.11319	5.6
181.12379	16.6
182.12675	1.0
197.11707	0.9
199.13419	12.7
207.10283	38.9
208.10625	0.9
225.11351	76.3
226.11720	4.5
243.12381	100.0
244.12816	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.40585	1.1
57.99118	1.1
59.01373	4.3
69.05217	10.4
71.05021	5.5
75.29498	1.4
91.01930	2.6
97.02953	7.3
97.06599	1.9
99.00888	26.9
100.01215	1.6
108.02210	2.9
109.06585	2.7
110.02530	1.3
110.03765	1.5
116.07261	1.0
123.08160	1.4
123.54092	1.2
125.09731	8.2
127.11323	1.4
136.05263	2.1
142.02747	2.3
152.01132	1.9
153.12936	1.6
155.14377	1.4
163.11267	10.3
181.12354	34.4
183.10306	1.7
197.11838	1.9
199.13411	25.0
207.10272	58.0
208.10692	1.8
215.03377	1.2
225.11343	100.0
226.11636	5.0
240.76299	1.1
243.06929	8.3
243.12387	96.2
244.12700	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	243.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52565	0.4
51.09620	0.4
65.54580	0.5
66.03474	0.5
69.14036	1.0
69.14436	3.5
78.56767	0.4
82.06628	0.5
84.08181	0.6
98.21811	0.9
110.02440	0.4
110.58694	0.4
112.07751	0.5
114.09258	1.2
118.22633	0.4
129.10374	5.2
130.08755	48.9
131.08975	0.5
135.04530	0.5
182.15512	1.0
199.18179	27.5
200.18469	1.3
243.17152	100.0
244.17464	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	243.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43471	0.5
55.79318	0.5
59.01373	0.8
60.49709	0.6
62.47991	0.5
82.06640	4.6
83.96637	0.6
84.08202	0.8
88.04057	0.9
105.41923	0.5
112.07700	1.3
114.09261	1.1
122.20173	0.6
129.10371	4.4
130.08757	45.0
131.09129	0.7
141.10368	1.1
182.15533	4.6
199.18179	27.7
232.06880	0.6
243.17146	100.0
244.17484	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	243.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51556	0.6
59.01392	0.7
59.21415	0.7
66.03502	1.3
69.41116	4.6
80.05062	0.7
82.02961	0.9
82.06622	3.8
98.21849	1.3
110.02487	0.8
112.07702	1.6
114.09223	1.1
127.26929	0.7
129.10345	2.6
130.08755	42.2
141.80389	0.6
182.15535	5.1
199.18185	30.9
200.18553	0.8
243.17165	100.0
244.17606	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	244.1307
Annotation	GLY-GLY-ILE
Peak:m/z	Relative Intensity
54.16582	0.7
57.76186	0.8
58.02985	7.4
59.01382	1.6
64.29435	0.8
66.03484	0.9
66.70078	1.0
70.02979	2.9
70.74519	2.0
70.74860	1.5
71.01426	1.0
73.04085	9.9
74.02489	26.7
78.95930	1.6
82.03005	1.4
82.06630	2.0
83.02521	2.2
84.08208	1.1
87.00887	1.8
89.63725	1.0
98.01854	1.2
98.02496	22.0
109.01730	2.4
112.07709	1.2
113.03594	32.8
116.07121	1.3
124.04095	1.1
125.09346	0.9
126.04433	0.9
126.09295	1.2
130.08772	100.0
130.28685	0.9
131.09103	1.9
133.38924	1.0
139.08791	4.2
140.07181	4.4
141.10359	16.3
142.14909	0.8
143.11929	20.1
155.11966	0.9
156.10358	1.6
165.10335	2.9
166.08693	1.5
169.09901	8.1
182.12978	2.2
183.11383	8.1
200.14088	11.3
200.17807	1.5
202.12013	1.5
210.07803	5.6
226.11919	0.9
227.10406	20.2
244.13055	50.9
244.16861	3.9
245.09900	1.2
245.13419	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	245.0458
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
54.03909	0.3
59.01365	0.3
69.19830	1.4
69.20244	0.8
94.04499	0.3
102.27446	0.3
102.63250	0.2
118.04280	0.8
129.03441	1.0
131.05055	2.0
145.06599	0.7
146.03813	0.7
147.04561	0.6
147.99002	0.3
148.63844	0.3
149.06021	0.3
157.02937	1.4
159.04503	0.8
161.02461	0.6
162.03255	1.1
163.07620	0.6
173.06107	5.3
174.03232	4.0
175.04030	6.6
185.02504	0.8
189.01906	1.8
191.86093	0.3
202.02765	0.8
203.03522	1.8
217.05078	36.3
218.05400	1.7
245.04573	100.0
246.04915	5.1
250.64337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0935
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02697	1.4
58.02979	23.9
70.02985	17.8
71.26361	1.1
71.26752	1.0
72.00925	4.7
72.04546	3.9
72.34916	0.8
74.02483	100.0
98.02493	24.5
112.74509	0.7
116.03561	31.6
116.05072	39.0
117.05387	1.0
130.06653	4.4
142.06635	8.6
156.08185	1.4
159.09280	7.3
175.07762	1.7
183.09296	2.7
186.05618	1.7
201.10390	10.0
203.08287	88.9
204.08585	4.0
245.09343	70.0
246.09647	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	245.1551
Annotation	6-Methoxyprimnatrienone
Peak:m/z	Relative Intensity
62.01622	3.0
63.02408	1.7
65.03952	1.6
69.02062	7.8
69.02480	2.1
79.05550	5.0
91.05547	8.3
93.03452	1.2
95.05042	1.2
98.22619	1.7
98.67552	0.9
101.04015	1.0
102.04741	1.8
115.05544	5.8
117.07124	100.0
118.07489	1.5
119.08656	2.7
129.70721	0.9
143.05060	7.1
157.06615	3.9
158.07382	2.0
171.08197	1.2
177.12796	1.3
215.14587	1.5
230.13260	2.4
237.45424	1.1
243.13896	2.2
245.15498	97.9
246.15736	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	247.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69103	0.4
62.01593	1.9
63.02401	8.7
64.71159	0.4
69.66105	0.4
72.51308	0.3
89.03984	9.2
98.21746	1.0
102.75781	0.3
106.80197	0.4
133.02937	0.7
133.55168	0.5
141.36194	0.4
145.00940	0.4
177.09227	100.0
178.09592	4.3
221.08182	4.3
247.02628	0.5
247.05350	0.8
247.09769	14.3
247.16978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1706
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
52.14294	0.1
53.70538	0.1
57.52797	0.1
59.01381	0.2
63.61828	0.1
64.13639	0.1
69.92321	0.3
69.92711	0.3
70.41237	0.2
79.70351	0.1
112.08178	0.1
149.86136	0.2
205.15961	0.3
220.17058	1.3
231.13927	0.5
247.17053	100.0
248.17393	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	249.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.3
57.03456	4.4
58.00584	1.5
58.91672	0.4
59.01387	33.5
60.31789	0.4
67.01904	3.2
68.15598	0.4
68.96159	5.0
68.99827	11.1
69.03462	8.4
71.01390	48.4
72.98920	0.6
72.99318	10.3
73.02950	6.4
75.00883	32.1
81.03464	2.0
82.73194	0.5
83.01392	3.8
83.05011	0.6
85.02962	23.9
87.00887	9.0
89.02461	9.2
91.04018	2.9
93.03481	2.7
94.20218	0.5
95.01403	7.8
97.02957	1.8
97.85625	0.4
99.00891	14.5
101.02449	0.7
103.00388	1.9
103.04020	1.0
105.04939	0.5
109.02967	1.1
111.00903	3.2
111.04532	1.1
112.01682	1.6
113.02467	24.9
114.02826	0.7
115.00371	2.9
115.04053	1.2
117.01963	6.1
129.01942	2.7
130.99883	1.1
133.05020	0.6
139.00400	0.5
147.04552	0.4
157.01407	0.9
164.07140	1.0
169.05049	0.5
175.02448	2.1
186.46509	0.4
189.04092	2.3
231.05127	5.4
242.54698	0.4
249.06174	100.0
250.06471	2.9
250.14465	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	249.1135
Annotation	Illioliganone A
Peak:m/z	Relative Intensity
52.00073	2.1
57.03444	4.1
58.70599	1.8
58.77342	2.1
59.01397	9.8
63.13608	1.8
65.03961	6.2
67.01897	19.8
68.99821	1.8
69.03458	17.6
69.44103	13.3
71.01401	13.1
73.02945	2.5
73.48182	1.9
75.00850	5.0
79.05531	3.8
81.03469	5.4
83.05027	1.9
85.02966	7.5
87.00896	5.8
89.02430	3.6
93.03459	25.7
95.01398	4.8
95.05038	69.8
97.02975	2.9
98.22498	4.0
100.00343	2.2
101.02374	2.5
101.06075	9.3
105.03481	4.3
106.04227	2.8
107.05042	85.5
108.02165	3.0
109.02959	15.1
109.76820	2.1
113.02477	4.9
116.18632	2.3
119.05029	8.7
121.02959	5.4
121.06606	2.4
122.03793	1.9
123.04513	7.1
125.06088	2.6
130.04324	3.0
131.05063	3.1
133.02922	4.4
133.06625	6.6
134.04771	2.1
135.04538	8.2
135.08153	2.5
137.06090	3.5
141.05579	7.6
141.68303	2.3
143.05040	5.4
145.06570	9.1
145.72549	2.3
146.03731	3.4
147.04480	6.1
149.06097	4.0
157.06529	2.7
159.04475	2.4
161.04666	2.7
161.06084	12.0
163.04018	2.5
163.07645	7.6
171.89055	2.0
172.05354	2.2
173.09703	2.5
175.03970	3.5
175.07681	6.9
179.07031	2.0
183.08269	2.3
187.07654	3.6
193.08714	3.6
201.09245	8.5
203.10768	2.5
204.04257	16.7
205.08722	13.7
213.09192	3.1
219.06679	9.1
221.11729	3.2
231.10231	15.1
249.05975	11.3
249.11337	100.0
250.11868	3.6
250.14467	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1135
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
57.03440	2.8
59.01390	18.5
59.11512	2.5
60.04645	2.6
63.09874	2.9
65.03960	3.8
67.01903	19.8
68.99806	3.8
69.03466	15.1
71.01385	28.2
71.05031	2.9
71.26767	3.4
72.56985	2.4
72.99316	2.8
73.02950	3.6
75.00877	11.3
79.05542	4.0
80.42226	2.6
81.03462	6.6
83.05050	2.9
85.02966	14.1
87.00867	5.8
87.09488	2.9
89.02448	3.1
93.03468	16.2
95.01406	4.3
95.05035	68.9
95.05642	3.9
99.00879	6.1
99.04534	3.0
101.02463	3.4
101.06117	14.7
104.17323	2.6
105.03497	2.9
107.05042	72.7
108.05354	3.0
109.02962	11.4
111.04539	2.8
113.02456	11.6
119.05055	10.2
121.02989	4.4
123.04552	7.9
125.06046	3.0
131.05017	4.0
133.06612	6.3
134.03722	2.8
135.04556	9.3
141.05586	3.1
145.06618	8.1
147.04536	6.5
147.08113	2.8
149.02510	3.1
160.05304	3.2
161.06178	6.9
163.07648	6.5
173.09781	5.4
175.03995	4.1
175.07742	3.9
176.04190	4.1
179.07158	3.6
183.08235	4.2
191.05721	3.0
193.08688	3.7
201.09288	8.1
204.04340	4.5
205.08755	14.4
213.09253	4.8
219.06577	4.1
231.10326	19.4
240.06375	2.8
249.06052	29.2
249.11353	100.0
249.14191	4.6
249.15056	4.2
250.06590	4.3
250.11807	6.2
250.14467	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1498
Annotation	(1R*,3Z,7E,11R*)-(-)-7,10,10-Trimethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene-3-carboxylic acid
Peak:m/z	Relative Intensity
50.92978	1.2
51.43820	1.3
54.82161	1.2
55.64331	1.2
55.96460	1.2
61.98825	1.5
69.42097	7.2
69.42526	2.5
70.39971	1.2
71.05025	3.2
75.24628	1.2
98.22634	1.3
108.05845	2.2
121.06601	27.4
123.08180	3.7
123.30036	1.2
133.06586	2.0
135.56883	1.3
137.09738	7.0
177.12845	2.8
189.12848	18.3
205.15990	100.0
206.16325	5.4
218.11861	1.8
234.11407	1.9
249.00214	1.4
249.14977	76.4
250.14482	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
60.32886	0.3
61.98832	0.8
69.03462	5.2
70.89048	0.7
71.39764	0.3
71.61054	0.3
85.00449	0.4
91.05540	1.0
119.05046	6.5
119.08737	0.6
136.05339	0.5
147.08195	1.0
150.06914	0.4
151.11322	2.1
164.08392	0.5
164.83614	0.7
177.05594	1.5
177.16492	2.7
191.07202	2.4
192.08052	0.3
193.12367	2.4
203.14444	3.4
205.16010	1.8
221.15498	21.0
222.15868	0.7
233.11890	0.7
247.13454	6.0
248.97289	0.5
249.14989	100.0
250.14714	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	249.1861
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.60085	1.0
57.43378	1.0
59.01379	4.8
64.58041	1.0
69.07826	2.3
69.08233	8.0
76.71516	1.3
92.53722	0.9
190.56972	1.1
205.15973	12.5
205.19606	2.3
229.94292	1.1
231.17603	2.1
234.11343	1.7
238.17722	1.1
249.15024	8.7
249.18625	100.0
250.11833	1.6
250.14502	34.0
250.18945	3.7
268.57092	1.0
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
51.57513	0.4
52.60897	0.4
55.25716	0.4
59.01394	4.0
61.98828	0.9
69.13678	3.6
69.14079	0.7
71.01377	0.5
83.05045	0.8
115.25694	0.4
146.11148	0.5
159.33029	0.5
174.77922	0.5
177.16656	0.5
189.12881	0.9
198.49745	0.5
205.15999	24.1
205.19518	2.3
206.16280	1.4
231.17526	1.3
234.11407	1.1
247.16995	0.9
248.97365	0.6
249.14984	33.6
249.18619	100.0
250.14511	30.3
250.18575	4.9
267.11075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1041
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
58.06670	1.0
69.21070	1.1
69.36703	6.2
69.37108	1.6
71.01391	1.6
71.02495	1.6
73.04082	100.0
101.02436	1.2
103.05134	5.9
147.04544	17.3
164.07185	29.4
177.10333	1.5
221.09341	50.3
221.11536	2.7
233.09306	1.9
251.10422	44.0
251.14676	15.1
252.10536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94535	1.6
52.69750	1.5
55.01882	10.9
57.03444	5.2
58.00578	3.8
59.01385	88.9
63.14948	1.6
69.57669	9.9
71.01389	100.0
72.99304	4.4
73.02953	35.9
83.01398	16.8
85.02958	52.4
87.00875	3.0
89.02453	23.9
95.01390	6.5
99.00891	14.4
101.02451	88.8
111.00851	1.7
113.02464	35.4
119.03503	5.3
133.05046	2.8
143.03508	3.1
159.02960	4.7
161.04572	33.5
189.58299	1.7
216.33073	1.7
251.11433	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	251.129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	21.0
57.19305	4.3
59.01378	16.7
65.03958	16.4
66.62177	4.6
67.01888	10.8
69.03461	9.9
71.01395	32.6
71.05032	8.1
71.26482	7.9
73.02942	5.2
80.02689	14.3
81.03461	6.0
83.05041	10.4
85.02964	21.0
87.04506	21.9
89.02447	7.1
91.05544	95.3
93.03465	8.7
95.05051	19.9
96.96011	60.3
99.04533	5.3
101.02450	9.4
106.04259	6.4
107.05046	19.5
109.06606	16.4
117.03488	5.0
117.07124	5.9
119.05005	23.6
121.02981	7.6
121.06613	100.0
122.03775	10.7
123.04561	6.7
123.86018	5.6
130.04295	8.7
134.03737	5.4
135.04561	12.6
135.08211	8.1
143.05040	7.1
145.06613	38.5
147.04498	6.1
148.05292	27.9
149.06137	9.5
159.06667	9.4
161.02496	5.9
161.04532	4.8
163.04022	12.6
163.07657	76.9
165.05710	4.4
177.05539	7.2
179.03522	8.8
191.03569	10.1
193.05042	11.2
221.04546	13.4
233.11964	8.7
236.06989	13.4
251.05656	10.9
251.09326	8.1
251.12436	34.7
251.15100	53.1
252.05403	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0507
Annotation	Chrysin
Peak:m/z	Relative Intensity
50.10220	1.3
50.68588	0.9
58.27092	1.1
63.02407	7.2
65.00330	3.7
71.26836	1.3
71.27213	1.3
81.83203	0.9
93.03470	0.9
94.88360	1.0
101.03937	1.0
102.80714	1.0
107.01402	2.7
119.05039	2.3
121.02982	1.5
136.05399	1.1
143.05066	5.7
145.02977	2.1
180.05824	1.3
181.06610	1.5
209.06091	4.1
253.05089	100.0
254.05420	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	253.051
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.01881	1.7
53.83219	1.7
59.01372	2.8
61.98820	2.4
63.02419	8.1
65.00308	2.8
71.27503	2.1
71.27848	1.9
101.75397	1.6
107.01376	3.1
111.36198	1.7
119.05029	2.3
129.09937	2.1
136.93959	1.9
143.05028	5.6
152.91806	3.3
165.96576	1.6
167.05081	2.5
170.88321	4.3
194.92772	4.2
205.79887	2.0
209.06026	4.1
209.15465	3.0
217.84972	4.7
253.05081	100.0
253.14691	2.1
254.05418	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	253.0932
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01877	4.9
58.00593	1.8
59.01384	100.0
66.96121	1.5
69.06261	15.6
70.44793	1.6
71.01392	54.9
72.99316	5.9
73.02957	10.2
75.00842	2.4
83.01397	4.7
85.02943	12.1
87.00885	5.0
89.02457	41.1
91.04018	2.3
95.01392	4.3
99.00899	3.8
101.02451	46.6
113.02472	19.7
118.36562	1.5
119.03513	10.1
121.02973	3.2
135.04568	1.9
143.03525	4.8
154.97495	4.0
161.04602	18.7
175.04073	2.1
176.04895	1.8
179.05647	3.3
194.05951	2.4
212.18867	1.6
251.00555	1.6
253.09337	43.4
254.09612	2.5
255.67354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0298
Annotation	Purpurin
Peak:m/z	Relative Intensity
59.01365	0.2
60.29514	0.1
63.02403	6.9
65.00327	2.9
74.28671	0.2
83.01395	1.4
89.03973	0.2
91.01913	0.2
93.03464	0.3
103.01927	0.6
104.02687	0.3
107.01402	4.3
115.05569	0.5
117.03481	1.2
119.01420	0.6
121.02946	0.2
123.00919	0.1
127.05550	0.3
129.03462	0.2
131.05034	0.4
135.00969	0.1
139.05525	1.1
141.03479	1.0
143.05051	1.2
145.02985	1.2
145.06580	0.2
147.00908	1.2
147.04543	0.2
148.01733	0.6
151.00383	3.4
154.04271	0.3
155.05037	1.8
157.02971	0.3
158.03751	0.2
159.04538	1.7
161.02403	0.2
167.05029	0.7
169.01442	0.4
169.02953	0.9
171.04532	1.1
173.06061	0.3
178.10210	0.1
182.03743	1.8
183.04527	4.9
184.04872	0.2
185.02458	2.1
187.03987	0.9
189.01892	0.3
194.12549	0.1
195.10260	0.2
198.03235	0.2
199.04004	1.3
201.01985	0.4
210.03233	0.2
211.04010	1.1
213.01883	0.3
214.07996	0.1
226.02802	0.2
227.03490	2.3
237.01936	0.2
255.03000	100.0
255.23318	1.8
256.03384	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	255.1144
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
55.66655	0.7
56.67083	0.8
64.58867	0.8
64.90073	0.9
70.14938	2.1
81.14718	0.7
95.05042	1.6
97.98878	0.9
98.00360	0.8
98.98232	0.8
108.04596	1.0
112.71472	0.8
120.04551	1.4
122.06113	1.5
132.04562	1.4
134.06140	9.3
145.05334	1.7
156.20595	0.8
159.05673	4.9
182.06071	2.4
186.70724	0.8
196.07718	3.8
197.08527	1.4
201.40086	0.8
212.10797	9.8
225.06744	2.8
226.07513	5.6
239.08302	5.9
240.09059	12.1
255.02992	1.9
255.11420	100.0
255.23337	24.3
256.11795	5.5
256.23737	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	256.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
59.01378	1.4
69.03459	2.5
70.02998	1.2
70.19023	1.2
70.60207	2.2
71.01388	1.4
71.05016	2.7
72.04560	12.2
76.04107	1.2
78.95914	1.3
82.02985	28.2
83.01388	4.2
83.05029	1.2
83.52898	1.3
84.00902	3.7
84.02211	1.5
91.31371	1.3
93.03461	4.3
98.02486	18.0
98.06122	8.0
99.00949	1.6
99.08159	3.1
100.04055	16.9
107.04965	1.4
108.04582	1.3
110.02480	3.1
110.06128	1.6
111.03261	2.6
111.04520	5.8
113.06078	2.1
121.06609	11.1
124.07722	2.6
126.05624	11.2
126.09264	32.5
128.07190	13.3
137.14218	1.2
138.05608	4.4
138.09286	4.1
139.07684	1.4
140.10815	4.4
142.05879	1.3
148.07683	9.3
150.09254	26.7
151.07570	1.4
154.08743	10.9
166.08751	4.0
167.07187	1.7
168.10277	5.7
176.03951	1.2
183.24400	1.3
184.09766	10.1
194.08241	5.1
210.07735	32.8
212.09308	38.3
228.08813	6.8
255.23331	14.5
256.08279	100.0
256.23679	13.3
257.08734	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	258.1462
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
58.02983	7.9
59.01377	1.0
59.05688	0.8
70.02985	7.9
70.76952	1.6
73.02929	0.8
73.04066	1.4
74.02488	24.4
78.95918	2.7
80.35065	0.9
82.02999	2.3
82.06662	1.1
83.01404	1.1
87.05650	6.5
88.04056	17.5
96.96938	1.2
97.04098	2.3
101.07218	4.6
103.04019	0.9
126.09269	1.8
127.05160	3.2
129.10326	1.2
130.08760	66.9
131.09084	1.0
140.07127	1.0
141.10353	4.0
143.11935	14.5
147.96652	0.9
153.10327	2.5
155.11929	5.7
167.18056	0.9
169.09816	5.3
183.11366	5.8
196.14529	9.2
197.12991	11.0
214.05084	0.9
214.15614	11.2
214.19380	1.5
232.65825	0.8
241.11977	4.2
243.05257	1.6
257.99350	1.0
258.14621	100.0
258.18134	6.9
259.14929	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	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44223	1.4
58.84192	1.1
66.87042	1.2
69.73846	5.1
71.01405	1.8
72.36069	1.5
73.59610	1.3
78.95920	100.0
82.03044	1.2
87.00873	1.3
96.96981	62.1
99.00903	2.3
112.98853	2.2
128.03584	5.1
129.02075	1.5
130.08745	7.2
133.76244	1.3
138.98070	3.0
142.96648	1.8
168.99030	1.5
172.57582	1.4
202.98746	1.4
241.01219	1.6
241.12042	2.6
259.02283	31.7
259.13046	5.7
259.18613	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	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96407	0.2
71.24527	0.2
74.02498	0.2
78.95914	100.0
82.25571	0.1
96.96973	24.2
136.77597	0.1
138.98035	2.4
150.97974	0.2
159.96744	0.2
168.99037	0.3
178.95956	0.3
198.90526	0.3
198.92093	0.2
199.00192	0.4
203.63368	0.2
214.93658	0.4
216.90622	1.6
231.03525	0.2
240.91536	0.4
241.01192	2.6
241.03664	0.2
241.04636	0.2
258.92218	1.1
259.02258	31.9
260.02722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96407	0.2
71.24527	0.2
74.02498	0.2
78.95914	100.0
82.25571	0.1
96.96973	24.2
136.77597	0.1
138.98035	2.4
150.97974	0.2
159.96744	0.2
168.99037	0.3
178.95956	0.3
198.90526	0.3
198.92093	0.2
199.00192	0.4
203.63368	0.2
214.93658	0.4
216.90622	1.6
231.03525	0.2
240.91536	0.4
241.01192	2.6
241.03664	0.2
241.04636	0.2
258.92218	1.1
259.02258	31.9
260.02722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1189
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03436	1.3
59.01387	64.1
67.64027	1.0
71.05009	1.1
71.25256	1.1
71.27227	1.2
73.02954	48.2
79.05515	1.4
83.05035	2.4
87.00874	1.3
95.05042	1.0
97.06585	5.7
99.04559	1.6
107.05049	3.9
110.03741	1.0
111.08164	1.0
115.04102	1.1
123.08172	9.7
125.06098	19.5
137.09743	2.3
141.05566	1.5
141.09225	4.4
164.27412	1.0
167.07195	8.3
179.10782	1.2
181.08723	3.4
185.08211	100.0
186.08586	2.5
195.20013	0.9
196.57112	1.1
197.11855	11.2
199.09776	10.0
199.96335	1.1
215.12953	2.5
241.10855	3.0
259.11893	63.6
260.12228	3.0
267.51630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17376	1.0
59.01135	1.4
59.01386	17.2
65.85684	0.9
70.91798	1.5
70.92117	1.8
98.22109	1.4
128.59172	1.1
128.63902	1.0
137.09732	9.2
155.10799	100.0
156.11090	1.5
171.10297	25.8
181.08731	1.6
188.51077	1.0
197.11880	1.4
199.09782	35.4
200.10086	1.9
215.13058	2.3
217.10825	88.3
218.11177	3.7
259.11859	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	259.1302
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
53.99878	0.6
59.01386	1.5
64.08080	0.5
65.20951	0.6
69.81573	2.8
71.01391	2.0
73.04094	0.7
78.95911	3.7
82.02995	5.0
82.06621	1.2
84.04559	2.3
86.09045	0.6
88.04032	2.9
89.04393	0.6
96.96966	1.9
98.78544	0.6
100.04071	1.8
101.07234	1.4
102.05635	1.0
112.04110	0.6
114.09231	0.8
119.64883	0.6
127.05126	3.4
128.03566	8.2
130.08754	100.0
131.09114	2.4
138.97974	0.8
140.07240	0.8
141.10330	4.6
154.12401	1.9
167.11873	0.8
168.08949	0.7
169.13461	0.7
170.10126	0.6
171.15031	7.4
180.10281	2.7
197.12967	21.1
198.13341	1.0
208.28978	0.6
215.14006	2.4
221.84526	0.7
241.11954	41.8
242.12309	0.8
259.02231	1.1
259.12955	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	259.1302
Annotation	gamma-Glu-Ile
Peak:m/z	Relative Intensity
51.46850	0.8
59.01370	3.8
66.03482	1.7
69.26580	5.7
71.01411	1.1
71.71279	0.9
72.99296	1.7
78.95910	16.5
80.05061	0.9
82.02987	1.1
82.06621	4.0
84.04563	4.4
84.08130	1.5
85.02934	1.3
86.06118	2.1
88.04030	4.2
89.04395	1.2
96.96985	8.2
100.04047	1.2
101.02429	1.2
102.05616	23.6
112.07683	2.4
113.07215	1.8
119.00180	1.2
128.03560	47.6
128.07094	0.9
129.09447	1.6
129.10362	23.5
130.08755	100.0
131.09096	4.0
141.10202	0.9
141.12227	1.0
145.09799	1.1
146.04617	4.9
154.12384	6.9
158.99701	1.7
171.15039	22.5
180.06534	0.9
197.13011	9.7
197.14731	1.1
198.99263	2.1
215.12082	1.9
215.14024	29.6
215.16069	1.6
229.07465	2.0
231.09067	5.1
241.11937	30.8
259.02283	4.6
259.08621	10.0
259.12964	75.2
259.18610	3.5
260.08035	2.3
260.13333	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0078
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
51.44890	0.6
53.89569	0.7
59.01396	1.2
62.15232	0.6
66.46880	0.6
70.15207	0.6
70.82690	1.1
72.98912	1.2
72.99319	17.4
74.02502	0.8
75.00889	2.2
79.95741	8.0
80.96552	1.5
81.03472	2.1
82.32642	0.6
93.03468	27.8
96.96036	2.4
99.05569	0.7
103.92052	1.4
106.51672	0.6
107.05039	2.3
119.05042	50.7
120.05370	1.7
134.03766	1.8
135.04544	34.0
136.04858	0.8
137.06111	1.3
163.04031	39.2
164.04362	1.0
181.05089	94.8
182.05418	3.6
187.09734	0.7
199.00723	17.7
200.01001	0.9
215.00215	9.7
261.00757	100.0
261.22256	0.9
262.01147	3.9
283.95224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.3
69.91217	1.0
71.01391	1.6
71.26363	1.4
71.36806	1.1
73.02946	3.0
81.50301	1.1
99.04531	100.0
100.04876	1.6
101.02368	1.0
109.01691	2.5
158.10374	1.0
161.04597	1.3
165.01303	1.0
169.59889	1.0
174.38072	1.0
178.93622	1.0
187.09712	2.0
208.33507	1.2
227.30525	1.1
261.13364	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	263.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55113	4.0
54.61229	3.5
59.01391	100.0
59.49207	3.6
70.83519	7.9
71.01386	9.3
104.02785	4.1
114.19668	3.7
152.28087	4.0
157.21600	3.0
163.83478	3.8
175.07750	3.7
264.16052	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	263.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01390	62.4
72.99304	4.4
73.37619	3.4
74.81225	3.2
83.01402	5.3
85.02957	11.7
89.02464	57.9
91.20689	3.2
98.21777	6.4
99.00893	11.1
100.01224	7.4
101.02450	39.0
113.02430	18.2
119.03507	18.3
125.03770	2.8
137.58330	3.2
241.22189	3.7
263.09552	3.9
263.12854	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1138
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01884	7.9
57.03448	5.8
58.00585	1.5
59.01387	31.9
59.56069	1.3
63.51799	1.2
69.30455	1.3
69.61748	7.0
71.01388	100.0
71.05024	26.5
72.99302	2.4
73.02954	28.3
73.06596	7.5
75.00890	1.7
83.01403	13.3
83.05037	13.6
83.34364	1.6
85.02959	48.6
85.24693	1.3
87.00854	3.1
89.02454	9.9
94.34421	1.3
95.01392	7.8
97.02942	2.0
98.21841	1.8
99.00875	11.8
101.02452	48.9
101.06091	51.6
102.06486	1.3
108.60246	1.3
113.02461	35.8
119.03485	2.9
125.02500	1.8
129.01953	1.3
142.37019	1.6
143.03511	2.2
159.03008	7.2
161.04567	16.8
180.67348	1.2
263.11078	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	263.1292
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.29932	2.0
57.03445	3.1
59.01390	6.4
69.12255	7.4
69.12675	11.6
71.01397	9.0
83.05035	5.3
85.02956	3.3
95.05051	3.9
97.02934	11.3
98.97650	2.2
100.00063	2.0
101.02431	2.8
107.05040	2.6
107.58283	2.1
108.05820	6.5
109.02979	6.2
109.06629	4.2
110.13296	1.9
111.04536	18.7
111.08225	2.4
113.06099	10.2
119.08664	5.0
121.06599	3.1
122.03744	19.7
123.04520	3.0
123.08162	11.5
125.06113	20.7
135.08208	6.2
136.05325	22.9
137.06116	6.7
137.09735	3.1
138.06863	17.2
139.07669	42.4
142.75830	2.1
148.05350	10.5
149.06079	6.7
151.07671	87.8
152.04840	9.8
152.08461	43.2
153.09241	10.0
159.11809	4.5
161.09770	9.1
163.07693	16.5
167.07159	3.7
170.05904	2.5
175.11195	2.9
177.12881	3.7
186.10573	3.3
188.08514	3.4
189.09241	13.4
201.12852	38.8
201.14542	2.6
203.10811	35.2
204.11575	73.4
205.11998	3.6
219.13921	100.0
220.14314	3.0
245.11935	2.4
248.10666	2.2
261.46054	2.1
262.76563	2.4
263.12778	13.5
274.99835	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	263.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78088	0.6
59.01378	2.6
59.17788	0.6
71.01380	2.0
71.26038	1.0
72.00907	1.4
85.02982	1.1
85.06574	0.7
91.05546	3.5
98.06165	0.7
113.02393	0.8
115.08788	91.0
116.09164	1.7
121.71655	0.8
122.03765	0.8
125.07212	0.8
131.07169	1.3
136.94011	0.7
147.04546	25.7
159.04466	2.2
160.05089	0.8
164.07181	13.1
175.07668	4.7
178.05075	0.8
191.03525	1.1
219.06665	1.1
219.15114	6.8
263.05795	5.7
263.14023	100.0
264.14273	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	263.1656
Annotation	Pallescensolide
Peak:m/z	Relative Intensity
59.01390	28.1
59.29537	5.0
59.29861	4.7
61.98837	18.3
64.78265	4.5
66.50156	5.5
69.82910	5.1
78.95882	5.1
105.28903	5.0
130.99664	5.8
134.89430	8.6
136.04164	5.5
136.89194	6.8
152.91832	17.1
163.11360	6.4
165.12888	36.8
180.91322	7.5
186.79471	5.0
191.14478	14.9
194.92795	11.4
219.17625	15.6
263.16574	100.0
264.16684	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	265.0932
Annotation	8-Oxodeoxycoformycin
Peak:m/z	Relative Intensity
55.01883	1.2
57.03455	4.2
58.00590	2.1
59.01383	49.0
61.97958	0.7
65.25745	0.7
71.01387	27.4
71.25909	0.9
72.99310	2.2
73.02950	2.2
77.97962	0.8
78.95895	0.6
83.01408	1.9
85.02959	28.2
87.00896	2.0
89.02455	26.5
95.01398	2.7
99.04482	0.8
101.02449	19.9
101.06094	0.8
103.04022	36.0
103.68742	0.7
113.02463	11.0
117.05570	2.6
119.03508	11.5
129.10703	0.7
130.08742	1.6
134.04741	2.1
135.04604	1.0
137.08279	1.1
143.03477	1.5
144.03008	0.7
145.05058	1.5
161.04559	1.6
179.05685	1.5
198.53442	0.7
265.03598	4.5
265.09308	100.0
266.02921	3.9
266.09531	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	265.1238
Annotation	Magnolol
Peak:m/z	Relative Intensity
56.54730	0.5
57.93776	0.4
59.86471	0.5
61.98809	0.8
62.33995	0.5
69.80922	1.6
73.07116	0.5
96.96030	1.7
128.10117	0.5
132.45169	0.5
223.07651	0.8
245.09756	5.8
246.10228	0.6
247.11284	17.3
248.11649	1.4
265.12363	100.0
266.12729	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.0
57.03453	6.5
58.00600	3.8
59.01386	73.1
65.64506	1.3
69.17790	5.2
69.18217	6.2
71.01390	100.0
72.01723	2.5
72.99310	4.5
73.02953	30.9
73.61758	1.3
75.00859	2.5
78.95920	2.9
83.01398	15.7
85.02961	47.4
85.03481	2.8
87.00876	4.8
89.02457	27.4
95.01408	6.0
97.02966	1.6
99.00898	15.3
101.02457	88.6
102.02785	1.8
108.14568	1.5
111.00929	2.0
113.02461	43.5
119.03525	7.6
125.02466	2.0
129.01952	3.0
135.04697	1.5
142.36137	1.3
143.03482	4.8
145.03018	1.8
155.56538	1.7
159.02994	7.3
161.04568	37.1
163.04047	1.5
179.05550	2.4
215.53891	1.4
231.70277	1.4
235.21393	1.5
235.75703	1.5
265.12936	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.7
57.03454	8.2
57.67142	1.3
58.00583	2.3
59.01384	73.8
63.71053	1.5
66.20966	1.7
70.43327	3.3
71.01389	100.0
72.99299	5.2
73.02954	38.9
75.00850	1.7
75.31139	1.5
83.00935	2.2
83.01396	19.2
85.02959	50.1
87.00888	6.1
88.79568	1.2
89.02453	20.4
95.01401	8.9
97.02958	3.1
99.00897	15.8
99.41895	1.5
101.02453	90.2
102.02776	1.4
103.07652	4.9
107.03654	2.1
111.00874	4.2
113.02460	38.4
117.05589	9.7
119.03508	6.6
123.04411	1.4
125.02466	1.3
129.01956	3.0
134.04739	44.3
143.03468	4.0
159.03001	9.5
161.04570	40.2
162.04945	1.6
165.20454	1.4
189.91411	1.5
191.05638	1.9
265.09698	2.4
265.12903	21.0
266.08951	4.7
266.13339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47036	0.3
55.94548	0.3
69.47265	0.7
69.47672	1.1
79.95744	3.0
95.95254	0.4
96.96024	100.0
97.96004	0.3
98.21773	0.5
98.34571	0.3
102.01012	0.3
201.82423	0.3
250.94595	0.3
265.14813	73.1
266.15228	2.8
278.93716	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1812
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
53.07380	1.7
61.98845	2.0
69.52208	5.6
69.52617	3.5
80.02676	2.4
81.03439	1.9
97.06599	3.2
98.22600	1.9
121.10237	10.2
143.07178	13.2
143.69981	1.5
151.11305	2.7
153.12830	2.5
165.12822	1.7
191.14316	2.0
195.98543	2.0
197.11826	1.8
212.43784	1.6
221.19191	3.1
247.17012	9.0
265.18127	100.0
266.18524	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	266.0897
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.69962	0.2
57.03453	0.3
58.68118	0.2
59.01378	0.8
64.12856	0.2
65.84120	0.2
69.08562	0.9
69.08989	1.1
71.01387	1.1
72.01729	0.3
73.02934	0.3
78.95891	0.2
85.02961	0.7
87.00902	0.3
89.02453	0.4
92.02551	1.9
101.02453	0.6
107.03651	6.1
113.02451	0.6
119.03462	0.3
134.04744	100.0
135.04250	0.3
135.05254	1.1
161.04524	0.3
176.05743	0.3
176.63029	0.2
266.01157	0.2
266.08966	8.2
267.07159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	formycin b
Peak:m/z	Relative Intensity
53.00328	0.3
55.01888	1.3
57.03456	5.1
58.00601	1.2
59.01386	28.1
63.96677	0.3
67.01910	0.7
68.99837	0.8
69.03469	1.2
69.19448	2.3
69.19732	0.2
71.01391	43.2
72.01732	0.4
72.99319	5.7
73.02953	0.9
75.00883	18.8
81.03484	0.4
83.01377	1.3
84.02191	0.9
85.02962	42.3
86.03313	0.6
87.00887	16.8
89.02458	12.1
91.03516	0.3
91.04021	1.5
95.01401	6.8
96.01723	0.3
96.96042	0.7
99.00895	11.8
99.04554	0.3
101.02457	1.3
103.00391	3.7
109.02994	0.4
111.00919	0.5
112.01682	1.0
113.02466	56.7
114.02782	0.7
115.00394	1.9
117.01946	3.5
120.13516	0.3
129.01971	2.8
131.03517	1.2
134.03729	0.3
139.00365	0.3
149.04579	1.2
157.01460	1.7
170.67650	0.3
175.02521	2.8
189.21146	0.3
191.05620	0.3
205.07176	1.3
207.05096	2.1
207.98448	0.3
223.13260	0.4
249.06189	6.5
267.07242	100.0
268.07581	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	267.0727
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01886	1.1
57.03456	5.8
58.00603	1.0
59.01391	28.0
60.10205	0.3
61.32733	0.4
67.01895	0.6
68.99812	0.8
69.03454	0.7
69.44121	2.5
71.01395	41.8
72.01722	0.4
72.99323	5.3
73.02957	1.3
75.00889	17.7
78.95912	0.4
83.01405	0.8
84.02186	0.6
85.02966	38.9
86.03291	0.6
87.00896	15.0
89.02464	12.3
91.04035	1.2
95.01402	6.6
98.21812	0.6
99.00899	9.8
101.02456	1.9
103.00397	3.3
111.00915	0.5
112.01702	1.1
113.02473	52.7
114.02810	0.8
115.00390	1.8
117.01967	3.6
119.03551	0.4
124.21327	0.4
129.01979	3.7
131.03548	1.5
149.04576	1.1
157.01416	1.2
175.02525	2.9
205.07272	1.0
207.05072	2.5
236.73872	0.4
249.06178	5.8
267.07260	100.0
268.07623	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0736
Annotation	Inosine
Peak:m/z	Relative Intensity
51.15162	0.3
59.01387	2.3
61.98834	0.3
65.99856	0.2
66.45448	0.2
71.01389	2.6
72.99306	0.3
73.04081	1.3
74.27718	0.3
75.00881	1.0
78.48262	0.3
78.95918	0.8
80.03830	0.5
81.04585	1.3
85.02974	2.0
87.00869	1.4
89.02453	0.8
92.02557	5.9
93.04616	0.5
93.60801	0.3
95.01429	0.5
99.00909	0.5
101.02453	0.4
102.24778	0.3
108.02069	3.3
108.05700	0.5
109.04082	0.3
110.07256	0.8
111.47669	0.2
113.02462	2.8
119.05083	0.5
126.03107	2.0
128.07227	0.4
129.01945	0.3
130.08763	3.3
131.09106	0.4
135.03151	100.0
136.03575	1.7
139.86711	0.3
149.04698	0.6
151.02757	0.3
152.58789	0.3
154.06201	0.4
163.04022	0.2
177.04196	0.3
180.06717	0.8
193.09837	1.0
194.04541	0.4
206.12990	0.7
221.65150	0.3
223.15681	1.0
229.54990	0.3
231.97304	0.5
237.08865	1.2
267.07358	42.1
267.09747	1.8
267.14581	3.8
267.94937	0.4
268.07706	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	267.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
57.03449	4.5
58.00586	3.2
59.01383	93.5
60.01691	1.4
69.03460	1.5
71.01387	100.0
71.25852	2.6
72.99306	2.2
73.02576	2.9
73.02950	27.6
81.74787	1.5
83.01377	10.2
85.02956	37.4
87.00909	4.1
87.04548	1.8
89.02455	47.0
95.01393	7.6
97.03001	2.3
98.99979	1.4
99.00880	9.9
101.02452	80.7
101.07111	1.5
102.02821	2.4
105.05590	12.8
109.36866	1.5
113.02466	36.9
119.03493	16.3
119.71392	1.6
125.02438	2.6
131.03485	1.8
141.21225	1.6
143.03499	4.2
159.03011	5.3
161.04572	41.5
179.05641	4.1
267.07315	2.4
267.10880	42.6
268.11157	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	267.1241
Annotation	Papyracon B
Peak:m/z	Relative Intensity
57.03445	9.2
58.00592	5.4
59.01374	14.0
63.40327	3.7
65.03963	5.6
67.01546	5.6
67.01897	85.8
68.99812	18.1
69.03454	17.9
69.13605	8.7
69.14004	29.5
70.41538	3.3
71.01386	21.9
72.99306	5.4
73.02943	6.8
77.03976	5.1
79.05530	4.6
81.03484	22.8
81.98547	4.3
83.05032	11.3
85.02959	23.6
87.00883	4.5
87.02437	5.3
87.04536	10.1
93.03480	26.4
95.01398	8.5
95.05019	23.1
96.96006	12.7
97.02956	10.4
97.06567	4.5
101.02469	11.6
105.01936	5.9
105.03474	100.0
107.05048	59.0
108.02209	6.0
109.02956	45.3
109.06606	12.5
111.04521	7.4
113.02460	7.0
119.05003	6.9
121.02959	11.0
122.03749	4.9
123.04531	16.8
125.06078	9.9
131.04941	3.7
133.06583	11.2
135.04536	42.9
137.02434	7.5
137.06096	8.1
149.02264	4.8
149.36189	4.1
151.04051	6.6
153.05576	7.4
154.76604	4.5
156.55957	4.7
161.02405	4.8
161.06065	16.5
163.04074	4.2
179.07150	5.9
184.75845	4.0
190.02707	4.7
205.08647	5.1
223.09691	4.5
249.11299	13.4
267.07126	8.4
267.12411	58.7
268.12735	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	269.0459
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.00851	0.1
54.70983	0.1
63.02402	1.7
64.53320	0.1
65.00330	5.0
66.00666	0.1
68.99837	0.1
70.06741	0.3
77.03991	0.2
79.01919	0.2
81.03477	0.3
83.01399	2.0
86.39765	0.1
93.03471	0.5
95.05017	0.1
95.50903	0.1
105.03489	1.3
107.01404	7.8
108.01759	0.2
117.03477	29.9
118.03809	1.0
121.02971	2.0
122.03297	0.1
123.04536	0.2
135.04556	0.1
139.04039	0.2
141.03467	0.2
145.02919	0.1
148.01692	0.2
149.02461	10.9
150.02782	0.3
151.00388	12.5
152.00728	0.4
155.05038	0.2
155.07108	0.1
157.06609	0.3
159.04547	2.4
160.04863	0.1
161.02396	0.1
163.93431	0.1
168.05777	0.2
169.01418	0.3
169.06583	0.5
171.04585	0.2
173.06026	0.1
180.05843	0.6
181.06609	1.8
182.03821	0.2
182.06943	0.2
183.04530	2.0
184.04961	0.1
185.02431	0.5
186.95605	0.1
196.05319	0.3
197.06111	0.9
199.04001	0.2
201.05595	2.2
202.05876	0.1
209.02498	0.2
210.03250	0.1
213.05629	0.2
224.04718	0.5
225.05594	4.7
225.14923	1.0
226.05928	0.2
227.03522	2.0
241.05095	0.3
269.04572	100.0
270.04913	5.4
271.48032	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02402	5.0
65.00333	2.8
70.56984	0.4
76.66431	0.2
78.12418	0.2
79.68752	0.2
81.03470	0.2
83.01391	0.7
86.93200	0.2
93.03448	0.9
102.09138	0.2
105.03473	0.7
107.01404	4.3
117.03481	14.0
118.03822	0.4
121.02983	0.9
133.02928	0.2
135.04532	0.8
141.03436	0.3
142.00795	0.2
149.02457	3.5
151.00378	4.0
155.05067	0.5
157.06589	0.5
159.04552	3.2
161.02499	1.5
169.06592	1.0
171.04517	0.3
180.05891	0.4
181.06589	1.2
182.03766	0.4
183.04538	1.6
195.04480	0.3
196.05232	0.5
197.06123	1.3
199.04063	0.5
201.05591	1.2
210.56764	0.2
212.04669	0.2
223.94621	0.2
224.04753	0.6
225.05592	2.6
227.03551	1.2
241.04901	0.3
268.03799	0.2
269.04572	100.0
270.04910	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	269.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.4
57.03455	6.6
58.00597	2.1
59.01387	48.4
59.78554	1.1
69.03455	1.9
71.01390	100.0
71.27126	1.6
72.01710	1.1
72.93458	1.1
72.99309	4.0
73.02956	32.8
74.02463	3.5
75.00871	2.5
83.00929	1.9
83.01396	18.1
85.02964	51.5
87.00878	5.7
89.02446	4.7
89.60361	1.1
95.01402	7.4
97.02966	3.1
98.02494	1.9
99.00896	13.6
101.02456	74.7
113.02464	38.6
125.02458	1.3
135.04526	1.0
143.03540	2.0
159.03036	7.0
161.04584	22.4
179.05460	1.2
181.29958	0.9
187.84158	1.4
202.99782	1.3
228.47249	1.1
269.04510	2.3
269.10379	4.5
269.21484	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	269.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	11.3
57.03452	10.9
58.00597	2.3
59.01387	65.6
67.05227	1.1
69.03458	1.7
69.19208	4.6
69.19629	3.6
71.01393	100.0
72.99301	3.5
73.02956	42.5
73.03308	0.7
73.03377	1.4
75.00872	1.8
83.01397	18.8
85.02960	52.7
86.00618	1.2
87.00886	5.3
89.02446	4.8
89.49434	1.0
95.01401	9.0
95.63857	1.0
96.96056	1.9
97.02968	3.1
99.00897	14.3
101.02457	77.7
107.05064	1.3
113.02467	39.5
125.02440	1.9
129.01964	1.1
143.03514	3.1
159.03030	8.6
161.04588	21.2
166.80922	1.1
209.11847	2.5
225.14943	3.5
259.88971	1.3
267.79150	1.2
269.04691	1.9
269.10287	7.0
269.13562	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	269.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64788	0.7
57.03460	1.1
59.01386	100.0
66.94208	0.7
71.26719	0.8
97.06606	0.9
99.04535	4.7
109.06606	1.0
117.03461	1.5
118.10783	0.9
133.59225	0.8
146.21666	0.7
163.11220	1.0
165.12860	9.3
165.48877	0.8
189.12938	1.4
207.13916	18.2
209.11852	23.8
210.12227	1.4
225.14987	12.9
251.12927	10.6
269.04578	9.1
269.13977	68.1
270.14319	3.4
276.80713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0615
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
56.01706	0.8
59.01384	2.5
60.31789	0.8
70.98624	1.9
71.01398	1.1
87.00874	1.0
93.03464	3.0
95.03735	0.9
97.06615	1.4
98.18617	0.9
101.02437	1.7
111.08198	1.8
117.03477	1.8
119.05028	1.1
127.05850	1.5
140.61909	1.0
141.07109	1.7
143.05042	17.0
157.06587	4.4
159.08199	3.4
167.05048	4.5
167.14514	1.2
169.06618	2.2
171.10172	1.4
180.05846	3.2
181.06615	7.3
182.07339	2.3
183.04533	4.1
183.08176	5.7
185.06084	21.1
197.06126	4.1
208.05307	3.3
209.06122	13.9
210.06503	1.1
211.04066	4.7
211.13475	1.3
212.04846	2.5
216.68159	1.0
224.04860	1.3
225.05634	12.0
227.07161	63.2
227.16487	1.0
228.07550	3.3
252.04266	2.1
253.05080	100.0
254.05457	5.9
271.06158	58.2
271.15543	9.5
271.19162	4.8
271.22174	1.2
272.06491	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	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01871	0.7
61.65799	0.7
70.56689	0.9
70.57039	1.0
82.87978	0.6
84.02187	0.7
181.08279	0.6
197.19150	0.8
205.40076	0.6
221.19083	0.8
223.20601	4.3
225.22250	62.1
226.22610	3.9
253.21849	1.0
271.22806	100.0
272.23187	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	272.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.5
69.03479	0.3
69.17100	0.9
69.17516	1.5
74.99385	0.3
78.95915	0.6
82.06636	0.3
110.98550	0.5
117.00421	1.7
128.07242	1.4
130.08755	100.0
131.09094	2.5
144.75262	0.3
146.99840	0.4
165.37979	0.3
168.05212	0.3
172.01035	0.4
174.99287	0.4
189.00819	0.3
195.01573	0.4
212.07666	0.4
228.07338	3.1
230.08861	8.2
231.09135	0.5
260.60480	0.3
272.09949	43.1
273.04623	2.1
273.10114	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	273.0388
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
50.65683	0.3
69.03319	3.3
78.95918	95.3
87.00900	0.5
96.96980	4.4
96.97549	0.5
110.98554	70.1
111.98882	0.4
128.72748	0.4
197.92632	0.4
240.98726	0.8
241.01225	19.6
273.03854	100.0
274.04266	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	275.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85324	0.7
52.55425	0.7
53.63395	0.7
54.43052	0.8
59.01389	4.0
60.87260	0.7
64.37994	0.8
69.66247	3.4
71.01363	0.9
76.81789	0.7
79.91373	0.7
107.80419	0.7
129.27934	0.7
177.16470	3.3
203.18202	0.7
205.12527	0.9
231.21205	8.8
232.21561	0.9
257.19034	1.1
275.20172	100.0
276.20465	6.1
292.51563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11602	26.0
71.28209	47.1
152.91777	33.4
175.02901	29.0
181.83784	40.2
191.05684	30.2
194.92784	100.0
198.51935	29.7
276.84537	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1245
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
51.39828	1.7
55.72017	1.9
67.82867	1.7
70.25481	3.9
71.36043	1.6
89.20087	1.7
109.47563	1.8
118.06615	2.1
118.62630	1.7
128.06319	2.3
128.07193	34.2
178.11531	1.8
191.05576	3.3
194.92786	3.2
232.13445	100.0
233.13770	6.0
276.12186	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	277.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77575	1.4
69.20885	10.1
78.95921	51.5
91.81991	1.3
96.96980	100.0
98.22564	2.6
98.23294	1.2
102.30617	1.3
128.03584	2.1
144.04567	2.1
148.04214	2.8
180.87891	1.2
181.23508	1.3
277.08429	1.6
278.94974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06168	1.2
58.02985	19.6
59.01387	4.7
69.12405	2.5
69.12821	7.0
69.84734	1.0
71.01384	1.8
82.74318	1.2
84.04563	4.5
90.66668	1.0
92.05061	2.5
97.06625	1.4
109.95759	1.1
118.03014	4.5
118.06653	4.8
120.04575	3.5
125.14648	1.1
127.49197	1.2
128.05090	10.2
129.05861	4.9
130.06647	100.0
131.03796	12.8
131.05002	2.7
131.07024	2.8
133.03059	1.2
144.04572	44.1
145.05356	1.4
146.06133	27.9
146.08125	1.1
147.06493	2.1
148.04071	1.7
159.03227	1.6
159.06673	3.6
161.04852	2.8
162.05605	1.2
172.04037	4.0
173.07191	1.1
174.05626	98.5
175.05956	3.7
175.83305	1.1
178.69646	1.1
185.03719	1.2
190.05125	71.0
191.05493	2.7
215.08302	5.1
216.20415	1.1
218.04620	10.6
277.08261	3.7
277.12460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52814	0.4
59.01386	4.1
60.42796	0.5
61.98845	1.0
69.24110	3.2
69.59727	0.4
70.73969	0.4
71.01377	0.4
73.52996	0.4
79.95715	0.5
83.05040	0.6
89.28516	0.4
91.07602	0.4
134.89464	1.5
152.91704	0.4
194.92850	1.1
205.16072	0.6
233.19051	0.9
241.79446	1.2
259.20715	0.9
275.20187	0.7
277.18307	5.8
277.21744	100.0
278.18887	0.8
278.22067	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	277.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.6
61.98836	2.3
65.30302	0.8
67.46354	0.8
70.45961	2.2
70.46327	1.7
73.30992	0.9
79.95721	1.0
105.87818	0.9
115.46492	0.9
121.02969	1.4
121.09491	0.8
129.53467	0.8
134.89513	3.7
152.91737	1.5
190.74306	1.0
194.92769	2.2
205.15979	2.3
218.86621	1.0
241.79280	1.5
277.18179	15.3
277.21735	100.0
278.22018	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	277.2176
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
58.68436	1.4
59.01385	9.0
61.98832	2.5
68.20631	1.5
70.44260	3.0
70.44624	3.6
77.81142	1.6
82.84724	1.6
121.02937	2.0
134.89497	2.9
164.61638	1.5
170.71695	1.6
194.92787	2.1
205.15987	1.9
218.86665	2.1
241.79382	1.9
277.18167	12.1
277.21725	100.0
278.22046	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	277.2174
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01366	1.4
66.27330	0.8
68.97975	0.7
70.61218	1.3
70.61554	1.2
71.70200	0.8
78.20683	0.8
90.85760	1.0
91.18958	0.9
101.86937	1.0
140.26366	0.7
188.22092	0.8
219.78482	0.7
253.94417	0.9
257.63776	0.9
277.21741	100.0
278.22040	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	277.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34524	2.4
59.01389	18.0
61.98827	8.1
71.27224	5.2
78.95920	3.2
83.01207	2.4
100.54693	2.3
116.28890	2.3
116.92827	2.8
121.02961	7.0
134.89491	7.3
150.75432	2.2
152.91757	4.5
194.92799	5.4
206.82335	2.6
233.19116	2.8
241.79361	6.2
260.67728	2.4
276.84854	2.8
277.18173	33.4
277.21750	100.0
277.24762	5.5
278.22131	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	277.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01561	0.6
59.01389	3.7
65.00531	0.6
68.98222	7.3
77.20614	0.6
98.21746	1.1
106.96842	0.7
121.02931	1.8
134.89464	0.9
144.62338	0.7
147.08449	0.7
159.10410	0.6
160.38243	0.8
165.00456	2.8
182.47195	0.7
191.05666	2.8
233.10365	16.8
234.10619	1.9
277.16974	11.6
277.21732	100.0
278.22137	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	279.1089
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.05475	1.2
55.01884	1.6
58.00588	3.0
59.01386	100.0
60.01725	1.3
68.04145	1.2
69.50974	6.2
70.71801	1.2
71.01390	51.5
71.05025	2.6
72.99308	4.0
73.02940	2.1
83.01402	2.1
85.02966	9.3
87.00894	3.0
89.02457	61.7
90.02814	1.7
95.01386	4.0
99.04536	10.6
101.01816	2.3
101.02451	31.1
113.02464	17.8
115.08770	1.3
117.05587	16.6
119.03522	30.2
131.03519	4.0
143.03474	2.0
143.40430	1.3
149.04552	3.0
161.04649	1.5
179.05637	3.4
279.10870	67.1
279.13464	3.7
280.11081	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01395	1.0
61.98817	0.6
71.27532	0.9
88.16171	0.6
107.63860	0.6
116.03655	0.6
134.89503	1.2
279.23337	100.0
280.23657	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
70.60912	2.1
85.90652	0.8
87.28362	0.9
116.03655	1.0
133.89317	0.8
134.29807	0.8
138.19765	0.9
138.42290	0.8
168.46738	0.9
279.23325	100.0
280.23734	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69348	1.1
59.01373	4.1
69.59632	1.3
70.86890	1.9
70.87195	1.2
71.01391	2.3
72.99302	5.1
75.00883	33.2
87.00916	1.6
89.02456	7.3
93.03487	2.3
95.38436	1.2
117.01945	4.1
119.05038	66.2
120.05366	3.5
122.69889	1.3
135.03015	100.0
145.02985	1.6
163.04033	98.7
164.04353	3.5
281.06763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.8
71.08599	1.5
72.99304	1.0
73.02940	3.5
75.00871	8.3
82.03003	7.2
87.00887	7.1
89.02470	1.5
98.02483	3.1
100.04063	2.6
117.01955	10.3
119.05044	69.0
120.05377	1.9
124.07684	1.9
124.15166	0.8
131.10625	0.9
135.03012	32.7
136.07693	2.7
136.87662	0.7
144.06140	1.1
145.02963	0.9
163.04028	100.0
164.04387	3.9
172.31638	0.8
180.98352	0.8
201.32483	0.8
235.10843	1.3
281.11490	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.3
60.05215	1.6
68.01397	1.6
69.03463	3.3
71.01378	4.3
71.27132	2.4
71.42285	1.2
72.99310	2.5
75.00882	28.6
83.05042	1.4
85.02975	2.0
87.00872	1.5
89.02461	6.1
93.03486	1.8
96.95970	1.5
98.02193	1.2
117.01952	2.1
119.05042	57.3
120.05379	2.3
130.01115	1.4
134.03760	7.5
134.30275	1.3
135.03015	100.0
138.05644	10.5
139.11319	2.5
145.02910	1.8
158.50282	1.3
163.04034	94.1
164.04376	5.0
179.11128	1.4
192.06650	5.5
193.05084	5.1
235.66640	1.5
237.38367	1.3
281.09555	4.0
282.09897	5.1
303.24530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	0.9
55.01888	1.0
57.03452	2.1
58.07470	0.8
59.01381	2.5
60.31176	0.8
69.03430	0.9
69.70348	4.0
71.01400	1.9
72.99326	1.4
73.02950	3.5
74.25503	0.9
75.00884	3.5
82.02994	26.4
83.05041	3.0
87.00887	27.3
93.03468	1.9
95.05054	1.1
98.02500	10.7
100.04069	10.5
111.04528	1.3
117.01960	30.8
119.05041	61.0
120.05357	1.7
121.06634	1.9
123.08182	6.2
124.07664	4.8
126.01946	1.1
135.03026	15.8
136.07700	11.7
137.02473	1.4
137.09741	1.3
138.04866	0.8
138.06873	1.0
139.07646	1.2
145.03040	1.2
145.10249	1.4
153.09261	1.3
157.07950	0.8
157.83882	0.9
163.04034	100.0
164.04346	3.4
171.11830	6.6
189.12875	3.8
201.12839	3.0
207.13950	1.4
219.13887	1.7
235.11043	4.8
237.14989	11.8
276.81119	1.0
279.56015	1.0
281.11417	14.4
281.14078	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	281.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62785	0.9
52.69097	0.9
54.95572	0.9
59.01397	5.5
70.92014	1.4
71.01375	2.6
72.99301	1.7
73.02949	1.0
75.00877	6.7
89.02464	2.3
93.03502	1.1
96.96036	1.3
104.23476	1.0
113.02502	0.9
117.02045	0.8
119.05047	60.1
120.05354	1.8
121.03011	1.1
123.08186	1.1
133.02959	1.6
134.03754	2.0
135.03017	23.1
135.04556	5.4
137.02367	1.2
138.63980	0.9
145.02989	1.1
149.06117	1.9
161.02493	3.9
163.04036	100.0
164.04333	4.0
164.44070	1.3
177.05582	2.3
179.03519	4.8
221.04585	3.7
237.15060	1.7
281.06738	1.4
281.10278	0.9
281.14087	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	281.0882
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
52.43932	1.4
55.01865	2.0
57.03458	11.5
59.01385	19.1
69.03458	2.5
69.45107	2.8
69.45513	6.2
71.01392	66.5
72.99290	3.2
73.02937	1.7
75.00855	1.7
78.95909	4.0
83.01392	4.4
83.21670	1.4
85.02963	71.0
87.00896	26.6
92.92795	3.1
95.01385	9.0
96.96989	3.3
98.22501	2.7
101.02463	4.7
103.00396	5.5
108.90232	15.4
108.93740	6.7
111.00902	4.5
112.01694	3.5
113.02468	100.0
114.02798	3.2
127.04037	2.6
127.05135	4.0
129.01978	7.4
130.88969	3.3
131.03508	2.6
132.88664	1.9
132.94633	1.9
139.00415	3.7
145.06201	12.8
146.04544	2.9
164.92732	12.2
205.07193	10.4
206.93831	10.9
207.05109	1.7
249.06250	6.9
281.08829	85.4
282.09027	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	281.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.9
57.01858	2.9
57.03460	22.0
59.01385	32.0
65.03965	12.0
68.99831	3.4
69.03458	12.0
71.01392	68.7
72.99310	13.6
73.02936	4.1
79.05513	4.1
80.02708	3.5
81.03458	19.2
83.01387	7.3
85.02960	100.0
89.02480	3.7
91.05552	9.8
92.79423	2.9
93.03485	18.5
95.01411	6.6
97.02965	9.8
98.22581	9.4
99.00893	3.3
100.95819	3.2
101.02467	10.4
105.07136	3.6
106.04276	7.3
106.73738	3.6
107.05043	18.7
108.02185	10.7
109.02981	3.9
109.06600	19.4
113.02480	21.1
117.07143	7.9
119.05049	31.4
121.02975	21.5
121.06617	11.9
122.03697	3.7
123.08176	5.0
130.04254	3.1
131.05083	3.8
132.05875	3.8
133.06616	51.8
135.04568	25.8
135.08177	6.9
137.06104	41.8
143.05031	3.1
146.03749	3.9
147.04506	3.5
147.08159	8.6
149.06047	6.6
150.03252	6.7
150.06938	4.0
151.07672	28.7
157.06654	7.4
159.04527	13.6
161.06105	48.3
173.06073	4.8
173.99500	3.0
175.07701	10.2
175.96420	2.9
179.07091	15.2
181.08745	3.4
185.06050	4.5
191.07147	7.3
203.07156	8.9
281.09955	9.4
281.13715	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	281.1187
Annotation	2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydrodibenz[b,f]oxepin
Peak:m/z	Relative Intensity
52.72709	0.5
61.98829	0.4
65.03976	0.4
80.70066	0.3
86.90132	0.2
91.05552	2.6
93.03483	0.7
95.01414	0.3
95.05047	0.3
107.05065	0.3
116.92884	0.3
117.03514	0.5
117.07154	0.3
119.05042	3.6
123.00904	0.6
124.01691	0.3
131.05205	0.3
133.06619	7.2
134.06953	0.2
135.04558	3.2
136.04942	0.4
137.02461	3.4
138.03242	0.4
145.02972	1.0
146.03757	0.6
147.04543	1.9
148.05310	1.0
155.86505	0.3
163.04030	7.1
164.04813	75.8
165.05435	3.6
171.10321	0.6
196.09113	0.3
217.87325	0.3
228.64523	0.3
240.07990	1.1
243.79216	0.2
263.20157	1.1
281.11853	100.0
281.20764	1.7
282.12213	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	281.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59256	0.9
55.01892	5.2
57.03440	4.4
58.00590	3.0
59.01385	90.4
67.21935	1.1
67.80262	1.1
69.54713	0.9
69.71897	2.0
69.72289	2.2
69.96310	0.9
71.01389	84.4
72.99303	3.0
73.02953	18.3
75.00899	1.1
83.01392	10.4
83.55598	1.1
83.72388	1.0
85.02951	29.7
85.03423	1.9
87.00897	6.5
87.04519	5.4
89.02454	50.1
95.01393	6.3
95.81519	0.9
97.02939	1.7
99.00902	6.6
99.59126	1.0
101.02457	71.5
102.02834	1.6
107.03638	2.5
108.02049	8.9
110.43044	1.0
113.02455	33.4
113.46307	1.0
114.02802	1.2
117.01932	2.9
119.03519	18.7
119.04996	6.9
119.07161	10.5
126.03110	3.9
131.03502	3.0
133.00616	2.0
133.01576	24.4
133.04190	1.2
143.03485	3.8
149.04492	1.4
150.04225	100.0
159.02979	4.2
161.04572	33.2
163.04021	10.2
179.05592	3.6
220.32599	1.0
281.12421	20.2
282.05255	1.4
282.08441	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.2
57.03439	3.0
58.00581	3.5
59.01384	100.0
65.64352	1.0
70.60082	2.0
71.01390	92.4
72.97533	1.0
72.99300	3.9
73.02953	18.1
83.01384	8.4
85.02959	35.7
85.03490	1.7
87.00899	5.8
87.04510	3.9
89.02454	57.6
95.01395	7.5
97.02956	1.9
99.00887	7.6
101.02451	65.4
106.05356	1.2
110.80283	1.1
113.02465	40.9
119.03518	23.3
119.07144	10.6
125.02442	2.4
129.01950	1.3
131.03503	1.5
133.05070	2.2
135.35117	1.0
143.03473	5.1
159.02988	5.4
159.74265	1.3
161.03256	2.0
161.04568	34.2
162.04974	1.7
163.04030	2.5
179.05597	2.1
180.81049	1.0
257.18033	0.9
281.12418	34.8
281.68207	1.0
290.87741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1398
Annotation	Carolenalol
Peak:m/z	Relative Intensity
52.00695	1.4
55.01865	3.4
57.03456	20.9
59.01395	7.5
65.03963	4.6
69.22493	11.1
71.01385	1.8
71.05025	2.0
73.02927	1.9
83.05039	22.4
85.02968	3.9
87.00890	25.5
93.03488	3.6
95.05041	6.6
98.02519	1.6
98.21676	1.4
109.06625	1.9
111.04548	7.4
111.08172	7.1
113.06133	1.6
118.66326	1.7
119.05057	10.6
119.08666	4.4
121.06613	13.6
123.08182	43.1
124.05321	3.4
124.08482	2.2
129.07079	2.5
135.03026	3.8
135.04532	1.5
135.08189	2.4
137.06129	2.1
137.09715	6.3
138.06871	2.2
139.07674	6.0
140.32774	1.5
145.10249	4.5
149.02412	1.9
149.92950	1.6
151.07668	6.0
153.09235	5.2
159.11758	1.7
160.37390	1.5
163.04031	14.3
169.08760	3.9
169.10228	5.2
171.11815	52.4
172.12195	2.6
189.12872	20.5
190.13078	1.8
196.11516	1.5
201.12868	16.7
207.13902	11.6
219.13907	9.5
237.14996	73.5
238.15295	4.0
281.13971	100.0
282.14374	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	281.1398
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01867	3.3
57.03450	20.7
59.01376	6.9
61.89080	2.3
65.03964	3.6
69.03468	2.5
70.42357	6.7
83.05041	17.8
87.00887	21.6
93.03469	2.2
95.05025	4.9
97.02924	2.6
109.06570	2.4
111.04547	6.9
111.08183	5.6
119.08665	3.7
121.06596	10.0
123.08182	43.3
127.57480	2.1
137.09717	5.5
139.07674	9.2
145.10213	5.5
151.07651	4.1
153.09230	4.8
169.08774	3.7
169.10225	7.2
171.11810	48.7
189.12857	18.3
201.12837	17.2
207.13979	10.9
219.13887	5.8
237.14960	65.9
238.15100	2.8
281.13959	100.0
282.14264	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	281.249
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
50.51038	0.8
52.92654	0.9
56.20483	0.7
60.97455	0.8
69.29665	5.2
72.93292	0.8
89.96096	0.7
91.31934	0.7
97.51858	0.9
130.50337	0.8
174.89838	0.8
186.59662	0.8
199.21147	0.8
203.37971	0.8
228.73416	0.8
281.24902	100.0
282.25238	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	282.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.01712	0.5
66.00965	0.6
68.23548	0.3
69.43986	1.8
71.01390	1.9
72.01715	0.3
73.02956	0.4
82.04128	1.2
85.02951	0.6
89.02460	1.1
90.02808	0.3
98.21828	0.5
101.02448	1.6
102.02782	0.3
107.03651	4.4
108.02051	9.5
113.02472	0.4
114.02784	0.4
119.03522	0.7
120.03826	0.4
126.03107	4.3
128.48824	0.3
133.01579	28.4
134.01985	0.4
150.04228	100.0
151.02711	0.3
151.04703	1.8
161.04552	0.6
196.39203	0.3
236.04019	0.4
279.71942	0.3
282.08459	27.3
283.08835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0691
Annotation	Xanthosine
Peak:m/z	Relative Intensity
56.48357	0.2
59.01390	4.8
62.95351	0.2
70.81500	0.5
71.01389	1.5
72.99326	0.3
73.02946	0.2
78.95930	0.4
85.02982	0.4
87.00906	0.3
89.02465	1.2
94.82800	0.2
101.02469	0.8
102.98631	0.5
108.02060	10.9
113.02457	0.6
113.07259	0.5
114.05633	0.3
117.00478	0.9
119.03503	0.4
121.05054	0.5
123.46683	0.2
126.03120	0.6
133.01564	0.2
135.04480	0.3
142.00002	1.1
150.04305	0.2
151.02646	100.0
152.03078	1.9
161.04565	0.4
180.11452	0.6
184.01004	0.3
198.12585	0.5
201.02588	2.5
202.02721	0.4
205.59033	0.2
208.39156	0.2
224.10233	0.2
262.40897	0.2
266.11584	0.3
283.06927	14.2
283.10312	0.8
283.26498	5.8
284.07220	0.6
284.12546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77133	1.0
55.01877	4.6
57.03439	3.3
58.00592	4.4
59.01384	100.0
60.01710	1.2
68.95806	0.9
71.01392	78.5
71.24512	1.3
72.99310	5.9
73.02950	12.7
83.01383	6.4
85.02960	21.9
87.00871	5.8
89.02457	70.6
95.01371	5.2
97.03014	1.9
99.00892	3.9
101.02452	51.8
102.98621	5.4
113.02463	27.8
119.03518	24.9
121.05080	35.9
121.05929	2.1
129.01990	1.9
131.03473	1.6
143.03554	6.2
149.04568	1.9
159.03049	2.4
161.04570	22.8
179.05634	12.2
180.11415	1.3
187.87158	1.1
198.12599	1.3
209.06694	4.0
223.08191	2.6
224.10146	1.4
252.76418	1.1
269.10181	1.1
283.10370	48.8
283.26440	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	283.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.4
57.03442	4.0
57.37268	1.1
58.00588	4.4
59.01386	100.0
60.01705	1.1
60.65334	0.9
71.01391	76.5
71.02175	2.0
72.01714	1.3
72.99295	4.0
73.02961	11.8
79.77216	0.9
80.97951	0.9
83.01392	6.5
83.92928	1.2
85.02960	20.3
85.93987	1.0
86.51154	1.1
87.00883	4.5
89.02457	76.8
89.48404	0.9
95.01389	5.1
97.02957	1.6
98.81072	1.2
99.00905	4.2
101.02459	52.6
102.98566	2.3
113.02465	28.7
113.07143	1.2
119.03521	27.5
121.05096	34.7
131.03543	2.4
143.03503	4.7
149.04555	1.5
151.04491	1.6
159.03021	3.4
161.04578	22.4
179.05605	12.2
198.12393	1.4
209.06642	1.4
253.79984	1.1
283.10385	46.2
283.26483	2.1
284.10693	1.7
303.02335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1707
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
50.72294	0.4
52.61118	0.5
58.27200	0.5
60.05793	0.5
63.02406	0.7
72.18101	0.5
83.37170	0.5
99.92617	0.6
107.01405	1.0
107.05044	100.0
108.05386	2.1
122.37506	0.5
123.04487	0.7
151.00439	0.6
163.11311	99.2
164.11609	3.6
183.04546	0.6
199.33781	0.5
255.03004	19.1
256.03387	1.4
283.02527	7.7
283.17068	80.3
283.22824	6.8
283.26416	1.9
284.02991	0.9
284.17435	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	283.1919
Annotation	Koninginin C
Peak:m/z	Relative Intensity
50.61243	4.6
59.01387	10.3
60.37574	5.0
61.98812	6.0
64.32343	5.3
70.20872	17.7
86.73920	5.0
97.06606	10.4
111.08167	9.7
127.07668	13.5
127.11307	9.0
139.07640	9.7
139.11307	8.6
143.07161	44.4
152.91768	8.6
155.07166	17.9
157.08725	18.7
173.08273	5.8
173.56052	4.7
197.90314	15.6
203.18134	6.6
255.03012	39.5
265.18246	25.9
283.02582	13.7
283.10458	6.5
283.16110	9.7
283.19208	100.0
283.26434	41.5
284.19507	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	284.078
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
50.59296	2.9
59.01392	5.8
63.53968	3.1
69.41518	21.0
71.01366	6.6
87.00896	6.7
98.02512	4.3
98.21809	5.9
104.55600	3.1
108.02191	13.9
109.01733	10.3
113.08691	3.0
114.05624	71.2
122.02533	3.2
123.03233	6.0
123.04537	6.5
124.00400	5.8
130.08748	3.2
135.04558	2.9
136.00372	4.1
137.01199	23.7
138.01984	13.7
138.02998	3.6
139.02788	9.1
139.08806	5.2
139.57744	2.9
141.10402	5.7
142.51324	2.7
146.07422	3.0
149.53563	3.2
150.01978	17.5
151.02766	21.0
152.01157	14.1
152.03558	100.0
153.01944	7.4
153.21484	3.1
154.05179	4.1
162.01881	3.0
163.02704	3.5
164.03549	4.1
166.05141	8.3
167.03505	5.8
169.09821	10.7
178.05099	3.5
179.02274	32.3
191.02219	4.2
194.04587	56.7
195.05090	3.4
206.04526	3.8
208.06149	5.1
236.05623	4.3
240.17046	6.6
254.06734	3.6
267.09940	7.0
283.26431	29.8
284.07990	4.5
284.16171	12.6
284.26825	13.6
285.03683	5.6
285.06421	6.8
302.41531	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	285.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
63.02407	3.3
63.14454	0.1
64.02744	0.2
65.00331	3.1
66.00635	0.2
70.72273	0.1
81.03471	0.2
83.01411	1.6
84.01709	0.2
89.03961	0.1
93.03460	0.1
95.01381	0.1
103.21297	0.1
104.82011	0.1
105.03465	0.8
107.01403	5.1
108.01749	0.4
109.02971	1.5
115.05560	0.2
119.05032	0.2
121.02958	1.6
132.02229	0.6
133.02972	23.8
134.03299	0.8
135.04501	0.2
143.05061	0.3
145.39978	0.1
147.04599	0.3
148.01660	0.2
149.02461	3.7
150.02794	0.2
151.00386	7.9
151.04024	0.4
152.00668	0.4
157.03014	0.2
161.06108	0.1
167.05034	0.2
169.06673	0.2
171.04536	0.9
173.02515	0.3
173.06029	0.2
174.03215	0.2
175.04008	4.9
176.04321	0.3
177.01898	0.4
184.05019	0.2
185.06084	0.8
187.04057	0.2
189.05568	0.4
195.04544	0.2
196.05240	0.3
197.06068	0.5
198.03296	0.7
199.04031	3.5
200.04407	0.2
201.01923	1.4
201.05511	0.2
207.62396	0.1
210.81772	0.1
211.04039	0.5
212.04535	0.4
213.05583	0.7
214.02759	0.2
214.27284	0.1
215.03497	0.7
217.05074	2.1
223.04028	0.5
226.02634	0.2
227.03568	0.3
228.03888	0.7
229.05078	0.5
229.54976	0.2
239.03514	0.3
240.04163	0.3
241.04997	1.2
242.02237	0.2
243.03024	1.0
256.03491	0.3
257.04398	1.1
267.02985	0.4
268.03665	0.2
284.03250	0.3
285.04034	100.0
286.04385	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	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
59.01373	0.4
63.02412	1.3
65.00333	3.0
66.07928	0.1
69.25336	1.1
71.01383	0.2
77.03967	0.2
78.87746	0.1
79.01897	0.2
83.00948	0.2
83.01399	1.8
93.03461	0.2
101.02466	0.1
103.00690	0.1
104.14608	0.2
105.03513	0.9
107.01405	5.8
109.02976	0.3
115.05539	0.2
119.05040	0.1
121.02972	1.3
132.02213	0.6
133.02972	29.6
134.03349	0.7
141.07210	0.2
143.05003	0.4
145.03027	0.2
147.04588	0.3
149.02463	3.4
151.00386	9.9
152.00739	0.3
163.03961	0.2
169.01503	0.2
169.06575	0.3
171.04485	0.8
173.06123	0.2
174.03221	0.2
175.04016	6.4
176.04283	0.2
177.01860	0.3
183.04565	0.1
185.06113	0.5
187.04015	0.2
195.04433	0.1
197.02368	0.2
197.06096	0.6
198.03224	1.0
199.04022	4.4
200.04463	0.3
201.01971	1.9
211.04007	0.4
212.04675	0.2
213.05457	0.7
213.99750	0.1
214.02629	0.2
215.03459	0.9
217.05096	2.9
223.04063	0.3
224.04626	0.2
226.02713	0.3
229.05023	0.6
239.03503	0.3
240.04298	0.3
241.05119	1.5
242.02171	0.2
243.03012	1.2
256.03720	0.2
257.04440	0.5
267.02985	0.5
285.04077	100.0
286.04416	6.8
286.07623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	1.2
65.00334	4.2
69.02244	2.7
69.02647	0.7
74.68856	0.3
74.82790	0.3
83.01398	1.9
96.30353	0.3
98.22549	0.6
105.03461	0.8
107.01398	5.5
110.36375	0.3
117.65237	0.4
121.02962	1.3
132.02199	1.0
133.02972	35.3
134.03314	1.3
149.02460	4.1
151.00386	9.3
152.00691	0.5
171.04541	0.5
174.03160	0.4
175.04021	6.2
176.04359	0.4
185.06064	0.5
189.05708	0.4
197.06058	0.4
198.03224	0.9
199.04044	4.3
200.04385	0.3
201.01927	1.9
211.04044	0.4
213.05589	0.8
215.03488	0.9
217.05072	2.9
241.05043	1.4
243.03014	1.4
257.03836	0.4
267.02939	0.6
285.04068	100.0
286.04437	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	285.0409
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.24615	0.7
59.01376	1.8
60.14666	0.6
63.02401	0.9
65.00340	3.1
65.22994	0.6
70.78841	1.4
78.95895	1.3
80.48154	0.6
83.01395	2.2
86.08956	0.6
92.92856	0.9
104.15717	0.7
105.03484	0.9
107.01411	4.7
121.02925	0.9
132.02177	0.8
133.02969	27.4
134.03256	1.2
149.02444	4.4
151.00385	9.3
175.04037	5.9
185.06129	0.7
198.03195	0.8
199.04016	4.3
200.04330	0.8
201.01996	1.4
202.98741	2.0
217.00313	0.9
217.05046	2.0
241.05058	2.1
243.02963	1.7
257.04498	0.7
267.02908	0.8
285.04068	100.0
285.20737	2.2
286.04443	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	Luteolin
Peak:m/z	Relative Intensity
56.63468	0.2
63.02397	1.1
65.00332	2.6
65.21911	0.1
69.04820	1.4
80.64985	0.2
83.01395	1.5
93.03436	0.2
98.21870	0.3
105.03484	0.8
107.01399	4.4
116.93182	0.2
121.02975	0.9
132.02156	0.9
133.02969	24.7
134.03308	1.0
143.05040	0.5
147.04550	0.2
149.02451	3.6
151.00386	8.4
152.00716	0.3
169.06635	0.2
171.04544	0.4
175.04027	5.9
176.04300	0.2
177.01942	0.2
185.06125	0.8
189.05499	0.3
197.06087	0.4
198.03204	0.5
199.04019	4.0
201.01942	1.7
203.32732	0.2
211.04047	0.2
212.04887	0.2
213.05556	0.9
215.03546	0.6
215.16811	0.2
217.05078	2.7
217.58626	0.2
223.03992	0.6
229.05058	0.3
239.03694	0.3
240.04353	0.4
241.05110	1.3
242.02086	0.2
243.03061	0.9
244.03377	0.1
257.04498	0.7
267.02957	0.5
285.04062	100.0
286.04404	7.1
286.07654	0.2
302.22995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60588	0.4
58.97002	0.4
59.01376	0.7
65.00324	1.8
69.34339	1.8
69.34760	1.4
69.37438	0.3
71.01383	0.7
73.04074	0.6
75.00872	1.9
83.01398	0.5
85.02970	0.6
91.01910	12.2
95.01384	0.6
99.04579	0.6
108.02164	3.2
109.02969	0.4
111.00897	1.2
116.07178	0.9
117.01949	0.5
123.00917	0.8
123.04539	41.0
124.01649	0.7
124.04848	0.9
130.08745	1.9
135.03000	5.4
143.11913	0.6
152.01152	3.1
167.03513	100.0
168.03825	3.6
175.04073	0.6
185.16612	0.7
242.18660	1.0
243.65103	0.5
247.59767	0.5
257.04666	0.6
266.37320	0.5
284.26892	0.4
285.04004	1.8
285.06494	1.0
286.17682	2.7
292.97635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	4.5
59.01385	100.0
69.37737	10.9
71.01391	49.5
72.99284	3.5
80.64500	1.6
83.01398	4.0
83.05016	1.8
85.02966	6.5
85.89506	1.6
87.00896	2.3
89.02457	85.5
94.01932	1.6
95.01396	3.8
101.02460	19.4
113.02462	22.7
119.03528	23.4
119.04978	1.7
123.04539	5.6
131.03491	2.2
133.03017	2.3
143.03561	4.4
145.16383	1.8
147.24524	1.9
161.04610	2.9
167.03490	14.5
179.05649	10.6
225.16064	1.9
285.04178	8.7
303.39505	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	285.1348
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
57.03455	7.7
59.01385	100.0
62.06289	0.6
64.18659	0.6
65.74316	0.7
69.05270	5.2
71.05025	1.1
81.03455	0.7
81.14164	0.6
83.05036	14.0
84.85554	0.6
87.00881	7.6
90.86790	0.6
93.07119	0.7
95.05050	1.0
97.06609	2.6
99.60165	0.6
107.01405	0.8
109.06597	2.0
111.04533	15.1
111.08164	2.5
123.08167	4.5
124.73189	0.6
130.08719	0.7
133.02975	2.9
137.09715	0.9
147.08197	0.7
151.00415	1.2
161.13341	0.8
163.11281	7.6
165.09248	5.4
181.12383	5.4
197.11862	8.7
198.66914	0.7
199.03911	0.8
199.43059	0.7
207.10320	2.6
223.13432	17.8
225.11339	60.6
226.11684	2.2
241.14496	3.5
267.12411	5.7
285.04117	12.9
285.13458	92.3
286.04309	0.8
286.13779	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	285.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.8
57.03448	6.8
59.01384	100.0
60.01735	1.5
60.99336	0.6
62.81524	0.6
63.02385	0.9
65.00319	1.0
65.62217	0.6
69.42381	2.1
69.42791	1.6
71.05018	2.2
83.01409	1.0
83.05032	12.9
87.00883	8.5
95.05053	0.8
97.06606	2.2
97.27683	0.6
98.22492	1.2
107.01378	1.2
107.05051	0.7
109.06624	1.7
111.04530	15.3
111.08151	2.1
122.49458	0.6
123.08176	5.3
133.02968	5.2
137.09746	1.0
141.05641	0.7
151.00397	1.9
158.41585	0.7
161.13455	0.8
163.11290	7.6
164.82341	0.7
165.09224	6.4
175.04071	1.4
181.12387	4.0
197.11818	7.1
199.04071	1.5
207.10303	3.6
209.00925	0.6
217.05133	1.0
223.13414	16.8
224.13701	1.2
225.11343	55.8
226.11708	2.9
241.14430	3.8
267.12415	4.2
285.04086	25.6
285.13458	90.6
286.04404	2.3
286.13824	5.4
291.11215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1347
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
53.92997	0.8
57.03435	4.2
59.01384	100.0
66.10146	0.9
68.99818	0.8
71.05021	1.0
83.05034	2.7
87.00885	11.4
87.04504	1.0
95.05051	0.9
97.06561	1.8
99.04539	1.6
111.04571	1.2
111.08171	0.9
116.07190	1.9
123.08195	1.1
125.06065	1.1
133.02969	4.4
149.02606	0.9
150.21834	0.9
151.00345	1.0
161.13315	1.3
163.11281	5.2
165.09248	2.6
167.44035	1.0
181.12370	2.1
193.58809	1.0
197.11885	9.6
207.10330	1.8
223.11293	2.0
223.13388	25.2
224.13936	1.1
225.11340	19.5
267.12421	19.1
285.00937	1.3
285.04105	20.3
285.13449	49.2
286.04254	2.0
286.13852	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	286.2393
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.94566	0.5
61.98833	1.1
65.00336	0.5
70.02962	0.8
70.79728	1.0
74.06107	1.9
82.88692	0.6
94.92500	0.5
112.24428	0.6
118.05120	1.6
133.02982	1.0
134.03271	0.7
219.16714	0.6
240.23407	3.6
242.21292	2.1
265.22482	0.5
268.22952	1.3
286.04398	6.7
286.23923	100.0
287.04782	0.9
287.24298	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	287.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96872	0.9
59.01383	47.3
61.98838	7.3
67.24691	0.8
69.18877	7.2
74.99380	1.8
94.67549	0.9
95.64566	0.9
98.22523	1.8
101.00964	6.1
110.73424	0.9
115.02522	4.0
117.00459	91.9
118.00560	3.6
141.99971	1.8
143.00153	4.9
143.02029	1.8
143.99730	7.2
144.87280	2.1
144.97502	8.3
144.99950	100.0
145.99377	3.3
146.00142	3.1
159.01512	58.9
160.01631	3.4
174.99509	2.2
185.01147	1.2
186.00836	1.2
186.98573	4.2
187.01003	33.0
188.01265	1.8
198.99496	1.0
200.42110	1.1
201.02643	1.5
202.99007	1.4
217.00511	9.3
241.00565	2.2
243.02188	4.5
245.00099	4.4
259.01611	31.9
260.01721	4.4
263.14529	0.9
287.01132	56.5
288.01041	10.3
291.53745	0.9
293.83972	0.9
299.49524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03443	0.3
59.01372	0.4
60.88642	0.2
63.02406	2.6
65.00333	12.9
68.68245	0.1
71.28207	0.2
72.09258	0.2
73.26660	0.2
81.03456	0.3
83.01398	5.3
93.03491	0.3
107.01408	16.9
107.05027	0.5
108.01759	0.5
108.99361	0.3
109.02968	2.2
125.02473	3.9
133.02975	1.6
134.03847	2.0
135.04547	100.0
136.04869	3.4
136.95961	0.2
137.02467	0.2
151.00391	80.7
152.00720	2.7
153.00832	0.3
159.04538	0.4
161.02501	0.9
165.01932	0.7
169.01427	2.0
175.04062	0.2
176.04338	0.2
177.01988	0.5
269.04608	0.5
287.05276	14.2
288.05377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	15.3
59.01388	25.4
63.02411	4.0
65.00333	9.4
67.02601	0.8
73.17680	0.7
75.54785	0.9
81.03468	3.3
83.01402	11.1
93.03466	4.0
95.01414	1.0
96.74784	1.1
107.01408	6.5
107.05049	0.8
109.02962	3.2
111.00912	1.6
114.90550	0.7
116.92902	1.0
117.03531	0.8
123.04565	2.8
124.01677	3.5
125.02464	100.0
126.02796	2.2
131.05043	2.4
133.03009	3.8
134.03702	1.1
135.04559	1.9
139.00455	0.9
145.03014	0.8
145.06650	0.8
149.06123	1.0
151.00385	11.3
152.01190	8.0
153.01938	3.2
156.05870	1.0
157.06601	0.9
158.03763	1.3
159.04562	2.0
165.01994	1.9
171.04575	1.2
172.05287	2.3
173.06070	7.2
175.04012	1.0
176.02666	0.9
177.05594	16.3
178.99908	7.6
199.07709	3.2
200.04576	1.0
201.05620	9.2
203.03554	1.6
209.11940	1.4
211.04053	1.0
213.05608	1.9
215.07098	5.2
225.05548	0.8
225.15179	2.0
227.12880	11.1
228.75691	1.0
239.03423	1.3
241.05150	1.4
243.06677	14.2
257.04736	1.7
259.06143	73.3
260.06439	3.4
269.04565	2.6
269.14041	3.0
287.05658	46.8
287.08862	1.5
287.15054	16.6
288.06049	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	287.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68851	0.7
57.03443	1.3
59.01384	100.0
60.99305	0.9
88.70706	0.8
94.74376	0.7
97.06627	0.9
98.22619	1.5
99.04514	2.9
151.00365	0.9
155.27750	0.8
165.12869	1.4
174.04083	0.9
176.66357	0.7
207.13954	2.7
209.11891	8.2
210.12022	0.9
222.40245	0.8
225.15022	6.5
227.12904	55.8
228.13268	2.9
231.22701	0.9
251.12939	2.1
269.13937	18.1
270.14456	1.4
275.94748	0.9
287.15027	75.8
288.15390	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	287.1505
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03454	0.9
59.01387	100.0
60.01722	0.8
65.44742	0.4
69.11211	4.4
97.06640	1.0
99.04540	1.9
110.93848	0.4
134.75848	0.5
139.74533	0.5
156.35641	0.5
160.19675	0.5
163.50127	0.6
165.12885	1.9
167.10835	0.9
171.71159	0.5
207.13962	3.0
209.11862	8.1
225.14996	6.7
227.12921	52.6
228.13347	2.6
251.12917	2.1
269.13971	16.6
270.14374	1.2
287.15048	75.1
288.15317	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	288.0771
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
58.65142	0.3
59.01385	8.4
59.94119	0.3
69.37222	2.4
72.83066	0.4
74.02477	0.7
82.06657	0.5
84.08183	0.4
88.04057	3.4
90.97169	1.0
93.83982	0.3
130.08755	100.0
131.09082	3.2
132.98218	1.0
141.98215	0.9
142.96674	0.4
143.11902	0.9
160.97655	0.9
174.99232	0.7
184.97668	0.6
187.98769	0.6
202.98703	0.5
244.05045	2.9
244.12985	1.5
246.06601	3.4
288.07681	53.2
288.15665	1.0
288.74338	0.4
289.08118	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	288.1609
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01377	1.0
61.98826	1.1
69.37759	0.8
69.38165	2.4
81.03461	1.5
92.05087	0.9
93.03488	1.1
108.02178	1.0
108.04556	5.3
109.02978	5.1
121.02963	0.5
134.02495	41.3
135.03310	8.3
136.04057	39.7
136.07489	0.4
137.02512	2.2
137.04405	0.8
139.43335	0.4
148.04062	1.2
149.04832	1.2
176.03546	5.6
177.04218	0.7
181.03835	0.5
190.05141	0.5
226.53795	0.5
288.16080	100.0
289.16357	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	289.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11474	1.1
59.01385	100.0
69.03465	1.3
71.01383	16.1
73.02945	8.5
73.69119	1.2
83.01377	2.8
85.02972	2.2
89.02437	10.1
89.18065	1.2
95.01372	1.4
98.22614	3.2
101.02433	8.8
101.33354	1.2
104.05909	1.4
111.83067	1.5
113.02492	3.5
119.03531	1.3
120.25399	1.2
131.03560	1.4
175.26900	1.2
183.56902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20984	1.1
53.53823	1.1
59.01381	1.7
68.14098	1.0
69.06352	4.9
69.06779	5.4
70.02983	2.2
70.12784	1.1
71.01398	3.1
73.02951	1.4
78.95934	2.1
84.04546	2.2
87.33160	1.1
90.93757	1.1
101.02460	5.0
107.66302	1.2
113.66605	1.1
115.00373	1.2
126.05615	2.9
128.03568	100.0
129.03909	2.8
133.01514	2.0
134.01796	1.3
160.61049	1.2
170.04620	8.4
170.05873	1.1
200.03932	2.3
200.05690	29.3
212.05669	1.3
230.06641	1.8
290.09006	13.2
290.12244	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	291.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13773	0.3
59.01394	1.5
69.48874	1.7
71.01389	0.5
85.02946	1.7
93.03464	0.6
96.61687	0.3
107.78403	0.3
117.03484	2.0
119.05043	100.0
120.05369	3.3
121.02877	0.3
123.17839	0.3
127.34949	0.3
132.17807	0.3
145.02988	5.3
161.00829	0.3
163.04031	85.0
164.04362	3.1
165.77440	0.3
193.99463	0.3
198.20535	0.3
247.06145	0.4
282.26740	0.3
285.16379	0.3
291.08786	7.0
291.13672	0.3
292.09131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15924	0.4
59.01384	1.5
67.91655	0.5
71.01387	0.5
72.99305	0.5
81.14845	0.5
85.02972	2.9
87.00917	0.5
93.03493	0.4
96.18075	0.4
97.80843	0.4
101.02431	0.8
117.03475	4.5
118.03738	0.6
119.05044	100.0
120.05364	3.5
145.02972	16.7
163.04028	86.2
164.04381	3.2
273.07672	0.5
291.08795	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03800	0.1
54.79042	0.1
59.01369	0.2
60.97491	0.4
68.99584	1.6
73.31245	0.1
74.99080	1.4
75.96220	0.2
78.19994	0.2
78.66975	0.1
84.37003	0.1
87.83831	0.1
90.66297	0.2
93.00150	0.6
94.95393	0.1
97.43112	0.2
119.05004	0.4
121.02972	0.4
134.99400	0.2
136.97293	0.2
143.05394	0.2
149.00984	2.6
161.06393	1.1
163.04027	0.3
164.56931	0.2
192.98172	1.6
206.99799	0.4
209.01299	4.8
210.01292	0.2
210.99174	0.3
217.07239	1.9
223.03055	0.2
225.00761	0.6
235.02832	0.2
261.04419	0.2
275.05823	0.8
289.07578	2.6
290.07669	0.2
291.09140	100.0
291.19745	1.6
292.09250	9.3
292.12704	0.3
309.10309	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	291.1089
Annotation	Itoside L
Peak:m/z	Relative Intensity
55.01875	7.2
57.03450	4.5
58.00592	2.8
59.01385	100.0
61.98832	2.8
69.62766	2.1
70.42563	5.8
70.42915	2.3
71.01389	97.5
71.05005	2.2
72.99310	7.8
73.02946	27.1
75.00869	2.9
83.01398	10.0
85.02960	30.8
85.06576	2.1
86.71276	2.3
87.00894	7.2
89.02456	69.8
95.01404	7.8
99.00905	7.7
101.02452	61.8
103.04005	13.2
111.00918	3.5
111.04554	17.7
113.02471	40.1
113.06108	3.3
119.03514	28.7
119.05006	11.5
127.00332	2.2
129.05588	25.0
131.03571	2.2
133.05115	2.2
143.03514	4.2
145.03056	2.2
146.04564	2.5
154.99913	5.0
159.02988	4.3
161.04591	12.8
163.04001	5.4
169.01344	2.9
173.04564	2.7
173.08221	2.7
179.05634	5.3
187.02487	3.1
247.11906	5.6
276.98969	2.4
290.97198	2.5
291.10962	48.9
292.13531	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	291.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51134	0.5
57.03433	1.7
59.01370	1.4
61.97411	0.4
70.90657	0.5
70.90975	0.9
71.05012	0.7
76.73137	0.5
83.05029	0.6
89.13010	0.5
93.07104	0.9
95.05019	0.5
97.06588	2.0
99.76957	0.5
111.08167	2.5
119.05016	1.3
121.10242	10.8
123.08145	1.3
125.09734	5.6
141.12874	0.6
147.08154	0.7
162.31108	0.4
163.04028	0.9
165.12849	0.6
171.10295	0.5
177.13013	0.5
185.11852	14.0
195.13925	1.9
197.11888	2.8
209.11852	1.6
211.13432	1.3
223.13423	1.1
224.98903	0.4
226.60408	0.4
247.20679	1.6
255.50174	0.5
273.18658	1.0
289.18115	0.7
291.19693	100.0
292.20044	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	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78225	1.2
59.01372	3.6
61.98829	2.7
66.00310	1.1
70.10193	2.3
70.10605	1.9
71.05031	20.2
97.06599	5.7
97.44739	1.0
98.21898	1.3
111.08176	1.4
116.77616	1.1
119.05026	1.7
121.02970	3.0
136.39182	1.1
137.74149	1.1
145.03000	1.6
163.04143	1.9
165.12891	1.9
165.54958	1.2
170.12633	1.2
176.29256	1.1
181.12381	1.7
207.13983	1.3
209.04631	1.7
219.13857	2.7
235.16978	2.8
247.20677	3.4
291.19690	100.0
292.20007	8.8
307.54727	1.3
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	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01392	7.6
63.03647	3.9
69.65714	16.6
70.44507	3.5
73.96088	3.4
90.64202	3.7
98.22465	5.6
103.01472	4.1
118.63188	4.0
119.05138	3.4
121.02964	4.7
163.03973	6.5
209.04622	4.7
291.19687	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	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
70.89413	2.0
86.56799	0.8
89.75890	0.8
148.08974	1.6
150.10518	0.9
165.12860	23.6
166.13159	1.2
180.89244	0.8
247.20700	12.5
248.21172	1.5
273.18625	7.3
291.19681	100.0
292.20004	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42274	0.6
55.27700	0.6
57.03437	1.9
58.89724	0.7
59.01332	0.7
60.85368	0.6
69.23335	4.9
74.60178	0.6
83.05058	0.8
85.06586	0.9
93.07072	0.9
97.06587	1.4
98.22562	1.5
121.10249	16.6
123.08190	1.0
125.09746	7.0
147.08124	1.3
159.44698	0.8
163.50339	0.7
165.12807	0.7
185.11856	16.6
186.12122	0.9
197.11847	4.2
209.11862	1.0
211.13361	1.3
223.13506	1.2
247.13454	1.0
247.20587	1.2
291.19690	100.0
292.19977	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	292.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01893	2.3
58.48566	1.8
67.01878	3.4
69.28178	7.3
69.28597	5.1
71.01384	3.1
72.00932	9.5
72.04535	5.4
76.96545	2.0
82.02991	99.6
83.01392	16.4
83.03276	2.0
84.04565	8.8
91.05569	3.8
94.02996	8.1
98.02484	31.6
99.00906	3.7
100.04059	16.9
106.73813	1.9
111.03263	25.4
118.06633	7.5
119.05061	7.2
120.05388	9.7
126.01992	4.2
127.00368	10.4
143.08736	2.8
147.04532	44.9
156.08244	2.8
156.72166	2.2
163.04019	7.8
164.04370	8.4
164.07184	53.1
184.07706	29.6
186.09294	14.2
202.08746	24.2
203.09138	2.1
230.08260	19.7
230.10324	2.4
230.11237	1.7
231.31143	1.9
246.07718	100.0
246.10266	5.0
247.08078	4.7
274.07230	36.8
275.07553	2.2
279.60037	1.8
292.08368	9.6
309.24313	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	292.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
58.00599	1.3
58.93560	0.8
59.01092	1.4
59.01385	24.3
63.98074	0.8
65.67537	0.7
70.90823	1.6
71.01387	15.2
72.99315	4.4
73.02945	2.8
82.02991	9.4
83.01408	3.4
84.04528	1.3
85.02950	7.9
85.06590	5.3
87.00890	5.5
88.01176	1.1
89.02454	11.4
89.93496	0.9
93.03441	2.1
94.02949	1.1
95.01379	1.6
98.02502	2.8
99.00890	1.7
100.04063	2.7
101.02456	14.1
102.05624	24.2
102.06287	1.7
107.05056	0.9
111.03298	2.0
113.02462	7.2
113.06081	2.6
117.03481	4.7
119.03580	4.7
119.05042	100.0
120.05366	5.6
127.07657	1.8
128.03554	38.1
129.01959	1.2
130.08711	1.7
131.06137	1.1
131.07149	25.8
145.02983	31.9
145.04146	1.7
145.08714	1.0
146.04610	81.0
147.04469	4.5
161.04546	3.7
162.05591	0.9
163.04039	16.9
164.04384	4.4
164.07153	4.3
172.02487	1.7
173.08249	1.4
174.05588	1.6
174.08540	1.2
176.03595	1.6
177.01930	1.0
184.07726	2.5
186.09311	1.3
188.07063	1.1
202.08780	9.2
204.10335	3.4
206.02760	1.3
225.83026	1.0
230.08266	5.5
246.07768	11.6
248.09319	3.4
274.07254	13.4
275.07599	1.3
292.04959	1.3
292.08289	25.5
293.12436	42.0
293.15475	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	293.0883
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.51143	2.4
55.01875	4.8
57.03448	4.2
58.00600	5.4
59.01386	100.0
64.56866	2.1
69.03456	2.3
71.01390	89.0
71.25628	3.1
72.99312	7.4
73.02950	42.7
83.01395	9.2
85.02948	30.2
87.00853	2.7
89.01324	2.5
89.02462	52.7
95.01384	6.9
99.00909	9.4
101.02454	62.9
103.04031	7.9
113.02465	32.7
117.05975	2.9
118.71680	2.4
119.03526	19.1
130.08694	3.5
131.03525	43.8
131.07211	5.9
131.09062	3.7
143.03586	4.2
159.03030	3.9
161.04584	22.3
208.74216	3.5
208.97923	5.0
226.99084	3.1
250.98935	7.2
265.20178	2.7
275.18427	2.4
293.00159	10.5
293.08804	78.0
293.12387	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	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
58.00597	1.8
59.01384	50.8
70.61069	1.7
71.01391	23.1
72.99321	2.2
83.01396	2.9
85.02946	4.7
85.06597	19.0
87.00880	2.0
89.02454	25.6
95.01382	3.0
101.02449	15.3
105.42349	0.9
113.02467	8.8
113.06117	4.4
115.07651	2.0
119.03512	9.2
127.07677	2.8
129.92986	0.9
131.07156	73.1
132.07539	1.1
161.04626	0.8
173.08185	2.8
179.05576	0.9
201.30359	0.7
214.63284	0.8
216.27054	0.8
293.12442	100.0
294.12903	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03423	0.9
58.00587	1.7
59.01385	43.6
68.08526	0.9
69.51551	4.5
71.01389	20.3
72.71255	0.7
72.99306	1.1
73.02966	1.5
83.01395	1.7
85.02953	5.6
85.06598	14.3
87.00883	2.5
89.02456	21.4
93.73956	0.7
95.01411	1.4
98.22591	1.5
101.02462	14.1
108.91790	0.7
111.82582	0.7
113.02452	9.6
113.06115	4.9
115.07653	2.0
119.03525	7.5
127.07683	2.3
131.07159	66.1
132.07492	2.0
143.03549	0.9
160.98953	0.8
161.04572	1.1
173.08203	1.7
179.05618	0.8
293.12448	100.0
294.12650	6.0
309.98370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47659	1.0
59.01337	1.1
70.90353	1.7
70.90665	1.3
71.01337	1.9
74.73786	1.0
75.72533	1.1
82.00916	1.1
96.96028	13.4
123.23977	1.3
145.10588	100.0
146.10867	3.6
148.05313	1.4
149.06091	17.8
180.04144	2.8
193.15895	2.2
220.14566	4.4
221.15498	5.0
231.86441	1.2
236.10420	4.9
253.69995	1.2
261.18420	1.1
293.15607	37.1
293.21103	4.5
294.15884	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	293.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66767	0.2
61.98820	0.5
70.12840	0.9
71.01389	7.0
98.22552	0.2
108.57714	0.2
121.02990	0.3
127.07673	1.4
148.05299	1.2
149.06023	0.3
151.07690	0.8
157.13647	0.3
164.08414	1.6
176.53947	0.2
177.09242	6.5
177.10707	0.5
178.09642	0.3
190.10071	0.6
192.09825	0.4
192.11589	7.2
193.12061	0.5
194.10786	0.2
205.12350	7.5
206.12794	0.6
207.13937	2.0
217.08636	0.4
218.09496	2.1
220.14709	49.9
221.15479	100.0
222.15822	6.6
235.13432	1.9
236.10562	68.6
237.10939	4.6
249.22592	0.2
253.14461	0.4
260.51624	0.2
293.17654	6.9
293.21005	0.3
294.17847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	0.5
69.03438	0.6
69.23335	2.1
69.23767	1.4
73.02924	0.5
94.42251	0.4
136.08957	0.7
146.98569	0.5
162.51921	0.5
171.10310	1.2
192.11533	1.3
193.16061	1.0
220.14673	1.4
221.15460	4.0
236.10446	2.6
249.18524	0.6
249.22302	2.1
265.21774	6.8
275.20172	1.8
293.21255	100.0
294.21594	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	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.52752	0.6
51.13025	0.6
69.03430	0.8
69.12767	4.6
69.13177	1.4
72.99304	1.4
75.53249	0.8
121.08218	0.7
125.09617	0.8
139.11276	4.0
153.12804	2.0
173.30573	0.7
177.03381	0.7
191.18097	3.9
220.14622	0.9
225.04097	0.7
229.19508	1.0
245.19054	1.0
247.20659	3.4
275.19980	0.8
293.21252	100.0
294.21576	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.5
61.98832	3.1
62.60189	3.1
70.25255	3.1
70.79090	7.1
70.79449	7.4
71.01379	5.2
75.14563	3.3
81.87992	3.8
82.02961	3.9
111.88834	3.6
135.11827	16.5
136.08931	18.0
157.08711	50.1
177.09201	13.0
192.09966	3.5
192.11559	18.1
193.15979	30.7
205.12373	4.5
209.15526	6.0
220.14687	11.5
221.15463	43.8
231.68826	4.0
233.15454	13.1
236.10577	13.8
237.11261	7.5
249.18657	42.4
275.20190	65.0
276.20578	3.9
293.12436	3.4
293.17621	71.9
293.21225	100.0
294.18170	4.2
294.21307	10.2
300.31754	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50904	1.8
59.01385	2.7
59.02234	1.6
65.30956	1.7
70.77510	3.4
70.77844	3.8
78.35756	1.8
103.96104	2.1
121.10254	45.2
122.10532	2.7
171.10289	100.0
172.10582	5.3
185.11809	5.0
231.21230	5.9
275.20184	97.0
276.20544	10.3
278.98660	2.2
293.21268	57.9
294.21588	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
70.44878	3.2
71.22905	1.1
71.46854	0.9
85.15726	0.8
85.98732	1.0
110.44333	0.9
118.93642	1.0
131.59190	0.9
165.11578	0.8
169.45929	0.9
170.51442	0.9
171.10301	1.5
179.14476	1.8
195.13928	14.8
196.14722	1.3
200.00299	0.9
205.12416	1.1
211.13513	1.2
223.13440	12.0
224.13876	1.2
228.13733	1.9
256.13358	4.3
275.20203	12.5
293.21259	100.0
294.21573	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	293.2128
Annotation	Colneleate
Peak:m/z	Relative Intensity
54.93528	0.9
59.01384	2.1
59.26371	0.9
61.98826	3.9
65.19163	1.0
68.19546	1.0
70.83312	2.1
71.01404	0.9
74.89116	0.9
82.03005	1.2
82.43925	0.9
83.05045	1.2
92.92793	1.3
93.19736	0.8
101.29020	1.1
110.02480	1.5
141.09113	1.0
151.11282	2.1
153.09198	1.4
153.12881	1.5
166.78287	1.0
169.12338	3.4
174.28825	1.1
193.15970	1.9
197.11855	35.9
198.12184	1.3
213.15121	1.1
220.14713	2.1
221.15483	3.9
231.21121	1.1
236.10562	3.5
249.18639	1.2
259.90887	0.9
260.16672	1.0
275.20181	16.7
276.20496	1.4
292.88229	1.0
293.21262	100.0
293.94501	0.9
294.21329	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.1
59.01381	3.3
66.98674	0.7
69.08767	6.4
89.95035	0.9
97.83755	0.9
113.09741	16.1
114.91441	0.9
121.10247	14.6
139.11334	2.0
149.09764	1.1
166.85384	0.7
167.10825	1.7
171.10289	36.6
172.10641	2.5
179.10869	1.1
185.11826	2.4
195.13925	1.6
231.21129	2.6
244.22208	0.9
249.22171	1.5
275.20172	36.8
276.20432	2.7
293.21265	100.0
294.21628	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	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
71.29188	0.3
71.29537	0.5
72.80764	0.3
73.16923	0.3
74.41050	0.3
78.54138	0.3
86.00090	0.3
97.06603	1.1
123.08191	1.0
125.09748	4.1
127.07726	0.4
141.12891	1.6
149.09734	1.5
151.25613	0.3
185.11853	9.5
197.11903	2.2
211.13680	0.4
221.15494	0.8
249.22420	0.6
275.20114	1.0
293.21259	100.0
294.21613	7.6
298.14838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
59.01389	11.5
63.36307	1.5
65.09038	1.3
69.99818	1.2
71.01380	4.0
71.27893	1.9
72.99283	2.0
73.02936	4.5
75.00875	2.1
77.03983	2.7
77.29567	1.4
80.78922	1.4
85.02946	3.0
86.56306	1.5
89.02413	1.9
93.03461	5.8
95.05038	6.9
96.96036	2.1
99.00915	7.8
101.02444	4.7
105.03467	22.1
107.05063	2.0
108.02103	1.5
109.02963	3.9
110.02490	1.8
117.03491	1.7
119.05048	10.9
121.02946	7.4
123.04537	42.7
131.03502	5.0
132.02086	1.9
133.02972	100.0
134.03334	2.7
134.04732	4.6
135.04530	3.2
137.02477	1.6
139.04008	4.3
147.04555	3.7
148.05258	2.9
149.02478	16.5
149.04475	1.8
149.06079	5.4
150.03236	8.4
151.04036	7.7
159.03008	9.2
159.04512	4.2
161.02420	1.7
161.05963	1.4
163.04053	17.0
175.03976	3.3
177.01968	29.2
177.05571	15.2
195.02950	6.8
202.66470	1.5
207.06638	5.6
217.13208	1.5
223.06075	2.0
251.05435	1.6
295.04538	3.5
295.08151	3.0
301.12408	1.4
317.75272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.3
59.01389	11.5
63.36307	1.5
65.09038	1.3
69.99818	1.2
71.01380	4.0
71.27893	1.9
72.99283	2.0
73.02936	4.5
75.00875	2.1
77.03983	2.7
77.29567	1.4
80.78922	1.4
85.02946	3.0
86.56306	1.5
89.02413	1.9
93.03461	5.8
95.05038	6.9
96.96036	2.1
99.00915	7.8
101.02444	4.7
105.03467	22.1
107.05063	2.0
108.02103	1.5
109.02963	3.9
110.02490	1.8
117.03491	1.7
119.05048	10.9
121.02946	7.4
123.04537	42.7
131.03502	5.0
132.02086	1.9
133.02972	100.0
134.03334	2.7
134.04732	4.6
135.04530	3.2
137.02477	1.6
139.04008	4.3
147.04555	3.7
148.05258	2.9
149.02478	16.5
149.04475	1.8
149.06079	5.4
150.03236	8.4
151.04036	7.7
159.03008	9.2
159.04512	4.2
161.02420	1.7
161.05963	1.4
163.04053	17.0
175.03976	3.3
177.01968	29.2
177.05571	15.2
195.02950	6.8
202.66470	1.5
207.06638	5.6
217.13208	1.5
223.06075	2.0
251.05435	1.6
295.04538	3.5
295.08151	3.0
301.12408	1.4
317.75272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.8
59.01385	4.2
60.99310	6.5
61.00377	0.8
62.24857	0.8
67.01550	1.0
67.01899	12.2
67.95966	0.9
69.03470	4.0
71.01400	6.9
71.27106	1.0
71.94600	0.7
73.02953	0.9
78.38683	0.8
81.03471	3.8
83.05026	2.2
85.02955	1.3
87.00887	21.0
93.03467	100.0
94.03819	1.6
95.01392	1.7
96.45004	0.8
96.96021	1.0
97.03008	0.8
99.00869	2.2
99.04523	1.2
101.02451	2.8
105.03413	0.8
109.02909	1.2
111.04539	16.2
113.02502	1.9
115.04000	0.9
119.05023	1.2
121.02970	38.9
123.00935	1.0
123.04517	2.7
129.01918	4.1
133.02957	4.5
134.03775	5.9
135.04578	1.2
145.01399	2.3
147.04469	1.5
149.06123	0.9
155.03474	4.2
161.02441	1.1
163.04027	2.4
173.04568	75.7
174.04897	1.9
175.04019	1.4
177.01949	1.8
181.06218	2.0
191.03448	1.5
193.05029	6.4
203.03400	1.8
221.04636	1.0
235.02342	1.5
235.06177	2.0
250.04887	0.9
265.03488	6.7
265.07269	1.1
267.39691	0.9
280.05859	9.5
295.08240	56.9
296.08734	4.0
298.67093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.20975	1.0
57.03446	1.6
58.00605	5.2
59.01384	100.0
60.01707	1.4
60.05179	0.8
70.02822	0.9
70.60707	1.6
71.01389	54.1
72.99311	3.0
73.02946	2.5
83.01395	2.4
84.55089	0.9
85.02960	14.8
85.97609	0.9
87.00891	2.5
89.02454	61.5
95.01408	3.8
99.00863	1.9
101.02453	32.6
113.02466	21.9
115.04002	1.4
119.03512	29.7
131.03584	1.4
133.05072	2.6
137.17622	1.0
143.03485	3.5
149.04572	1.5
161.04573	3.6
179.05605	3.5
240.42416	0.9
272.11517	0.9
295.10376	94.4
296.10739	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03448	1.2
58.00589	2.5
59.01385	65.3
69.03454	0.8
70.86988	0.6
70.87337	1.4
71.01389	32.5
71.05030	4.1
72.99298	3.0
73.02953	2.3
73.23628	0.6
74.21407	0.6
75.00886	15.9
83.01404	1.8
85.02964	6.8
87.00875	1.9
87.02780	0.7
87.04496	0.8
89.02455	45.9
95.01402	2.1
99.00927	0.6
101.02454	21.1
113.02464	11.5
115.00417	1.4
115.04018	11.3
117.01946	0.6
119.03511	18.6
119.04359	1.1
131.03529	1.4
133.05064	6.4
143.03482	1.0
149.04584	0.9
151.82239	0.7
161.04567	1.9
171.03647	0.7
179.05629	2.4
233.84119	0.6
237.06165	9.4
251.07832	4.5
288.89801	0.8
295.10364	100.0
296.10620	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	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03438	2.1
58.00581	2.6
59.01386	55.6
62.38142	1.3
64.96138	1.6
71.01392	35.0
71.05018	1.2
71.26037	1.8
72.99294	4.6
73.02940	2.9
75.00870	10.1
78.79433	1.3
83.01408	1.7
85.02958	12.0
89.02457	43.2
92.86993	1.5
93.42747	1.1
95.01398	2.9
99.00906	1.3
101.02459	21.9
110.49313	1.2
113.02467	14.1
115.00394	2.5
115.04000	6.7
116.82059	1.2
119.03523	19.4
129.90175	1.3
131.03532	2.3
133.01457	1.6
133.05092	11.3
143.03462	1.9
161.04564	3.3
179.05649	3.5
237.06213	4.4
295.10367	100.0
296.10730	4.6
310.85507	1.3
317.89749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.6
55.40668	0.9
57.03448	3.9
58.00602	4.4
58.06812	1.0
59.01384	100.0
59.85011	0.9
60.01723	1.2
66.41029	0.9
71.01389	81.9
71.11201	1.8
72.01744	1.3
72.99316	3.7
73.02956	13.6
73.09429	1.1
75.00861	2.3
79.54700	0.9
81.18315	0.9
83.01389	8.3
84.02196	1.0
85.02957	26.5
87.00887	4.5
87.04540	1.3
89.02456	55.9
95.01405	6.1
97.02940	1.6
99.00890	5.2
101.02454	61.4
107.39594	1.0
113.02461	36.8
115.04101	2.2
119.03507	26.3
131.03564	2.5
133.05101	7.6
133.08723	7.4
143.03523	4.3
149.04553	2.0
159.03041	5.3
161.04562	29.1
162.04973	1.0
179.05605	4.6
295.10382	32.2
295.14020	30.5
296.11063	1.3
296.14337	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01381	1.1
69.41809	0.7
70.89375	1.3
73.50071	0.7
76.68391	0.7
95.67490	0.8
97.66285	0.6
123.20451	0.7
125.09769	1.0
141.12889	1.2
142.95251	0.8
144.96411	0.7
150.81259	0.7
169.12361	2.5
191.50639	0.7
197.11917	2.5
251.23955	1.0
277.21799	10.3
278.22028	0.9
295.22818	100.0
296.20059	0.8
296.23215	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.89130	0.5
56.77384	0.6
57.03444	0.8
59.01366	1.4
70.83485	1.0
70.83810	0.6
78.72704	0.6
91.75026	0.6
92.66171	0.6
99.08143	1.0
125.09740	1.8
141.12825	0.7
168.68382	0.6
171.10292	40.8
172.10651	1.8
183.10318	0.7
195.13971	0.8
208.67975	0.6
275.20114	0.6
277.21768	50.3
278.22144	4.2
294.41080	0.8
295.22818	100.0
296.23151	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	295.2282
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03439	1.0
59.01394	1.6
70.71432	0.6
70.71786	0.4
72.55532	0.3
78.35968	0.3
84.95650	0.3
99.75925	0.3
108.32734	0.3
113.09731	2.2
113.40604	0.4
114.35023	0.3
171.10268	1.0
177.12885	0.6
179.14517	0.7
181.12318	0.6
195.13913	19.4
196.14256	0.9
251.23918	0.3
273.36765	0.3
277.18399	0.7
277.21729	20.1
278.22110	1.4
286.23816	0.3
295.22809	100.0
296.23114	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	295.2282
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03443	1.8
59.01385	1.9
70.60217	3.0
70.81053	1.0
77.41462	1.0
102.43587	1.2
125.09844	1.2
155.14397	1.8
171.10294	47.8
183.10281	3.2
195.14052	1.7
196.72188	1.0
277.21756	53.3
278.22128	3.6
295.22821	100.0
296.23083	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	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
62.53235	0.6
71.05013	1.2
73.18344	0.6
79.12208	0.6
95.05011	0.8
98.56783	0.5
98.95590	1.1
119.94710	0.7
127.11330	1.2
141.12874	9.2
155.14438	3.4
160.01625	0.7
165.87497	0.6
166.42126	0.6
176.83757	0.6
194.03398	0.6
225.69318	0.7
249.22238	9.5
250.22577	0.7
277.21725	0.7
295.22821	100.0
296.23132	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	295.2281
Annotation	Moniliforminol B
Peak:m/z	Relative Intensity
59.01375	3.9
61.98819	1.4
62.04471	1.5
66.12743	1.0
70.62566	1.5
70.62897	2.9
88.30553	1.3
111.08125	2.8
113.09750	2.7
115.04221	1.2
119.79143	1.2
123.58064	1.2
139.07672	1.7
140.91470	1.3
149.93443	1.4
157.08722	81.0
158.09100	2.3
195.13994	2.5
217.54962	1.4
233.22845	2.2
234.78030	1.4
258.34598	1.2
277.21750	66.6
278.22064	4.9
291.80145	1.2
295.22809	100.0
296.23233	10.3
314.11514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16824	7.2
74.99073	6.4
87.61863	2.1
89.04285	9.5
93.00136	4.1
109.58364	2.1
112.39546	2.1
121.06604	25.8
149.00966	59.4
163.11284	20.8
163.26567	2.5
183.01245	7.2
183.04892	2.1
185.99728	2.5
204.61284	2.3
223.02878	8.2
235.31685	2.2
264.98395	23.9
281.01572	7.9
282.99594	5.0
297.04733	100.0
297.15305	12.3
297.18646	17.6
297.24307	28.9
298.04794	12.7
299.02707	12.2
301.00455	3.0
315.05820	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	297.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58297	1.3
55.01891	2.7
55.04577	1.4
56.45201	1.4
57.49509	1.4
58.00589	3.6
59.01385	100.0
70.18937	2.7
70.19308	2.6
71.01391	63.5
72.99338	3.7
73.02949	7.3
75.00881	7.5
81.03448	1.5
83.01403	4.2
85.02965	17.5
87.00903	5.5
89.02455	67.7
93.65392	1.3
94.35061	1.4
95.01402	5.0
98.21864	2.0
98.25707	1.4
99.00904	2.1
101.02459	33.9
113.01714	2.8
113.02455	23.1
117.01963	2.8
119.03520	28.4
131.03540	2.4
135.03017	3.9
135.03563	1.6
135.04550	17.7
135.05478	2.0
135.05673	2.5
135.06651	25.6
143.03552	5.0
149.04509	1.8
159.03004	1.7
161.04558	13.9
173.62753	1.6
179.05653	15.7
192.72920	1.8
237.06207	2.3
297.08331	11.8
297.11951	35.0
299.39624	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	297.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
58.00591	3.1
59.01386	100.0
69.07993	1.2
69.58134	6.7
71.01389	60.8
72.99319	2.4
73.02967	7.8
75.00873	4.8
81.03528	1.6
82.37347	1.2
83.01374	3.7
84.79460	1.2
85.02957	15.7
86.37440	1.2
87.00877	4.4
89.02454	69.8
91.59062	1.1
94.03836	1.2
95.01405	3.5
98.22536	1.6
99.00901	2.3
101.02448	35.7
108.95347	1.2
113.02459	22.5
113.03191	1.9
117.05596	1.8
119.03516	29.7
131.03537	4.2
135.03033	3.0
135.04530	16.3
135.05470	1.5
135.05669	1.9
135.06650	19.6
143.03519	4.0
149.04619	2.3
159.02998	1.6
161.04584	12.8
179.05649	14.9
237.06213	1.6
237.09781	2.5
296.28577	1.3
297.08340	10.7
297.11923	33.2
298.12335	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	297.1347
Annotation	Tehranolide
Peak:m/z	Relative Intensity
50.28644	0.4
59.01389	3.1
61.70039	0.4
64.75003	0.4
68.01420	0.6
69.03452	0.6
69.15042	3.2
71.01388	1.3
72.99314	9.5
75.00880	100.0
76.01216	0.7
81.97236	0.4
85.02958	0.7
87.00890	0.6
89.02467	2.1
91.01910	0.6
93.03505	0.7
95.05071	0.6
96.96030	1.1
101.02475	0.8
107.05050	1.0
108.02210	0.8
109.02970	7.1
117.01934	0.6
121.02958	0.8
121.06590	0.5
123.00896	0.4
123.04559	1.6
125.02554	0.4
133.02980	0.9
134.03795	0.7
135.00917	1.0
135.03044	21.8
135.04584	5.3
136.04097	3.6
145.03061	0.4
145.17259	0.3
147.08195	0.5
151.07664	0.4
153.01993	1.3
154.64844	0.5
159.04578	0.4
161.02505	1.1
161.09793	0.8
164.07158	0.5
165.04333	0.7
165.52924	0.4
170.05928	0.5
178.05139	0.8
179.03580	1.3
179.10815	2.4
191.03540	0.5
206.09518	3.2
209.04622	0.7
221.11859	6.8
222.12198	0.5
234.05504	0.5
239.07124	0.8
250.06424	0.6
267.06638	5.3
267.08984	0.5
282.08957	4.5
297.13571	39.0
298.09232	3.7
298.13968	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	297.1712
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
57.03458	1.4
59.01385	100.0
60.01724	0.9
62.83457	0.4
69.18601	2.6
69.19009	0.7
98.21812	1.0
102.61444	0.5
109.40976	0.5
177.12848	3.0
203.63013	0.5
219.13931	4.8
235.17079	1.1
237.14977	19.4
238.15248	0.9
253.18190	0.7
279.15991	1.4
297.17105	32.3
298.17413	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	297.2438
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.31802	0.9
53.54667	0.7
59.01375	1.1
68.78856	0.7
69.04079	8.3
70.11089	0.8
78.26354	0.8
85.30067	0.8
98.22537	1.8
104.73959	0.8
141.12820	1.0
155.10791	13.7
159.85628	0.8
172.43456	0.7
183.01204	3.4
191.08148	0.8
279.23315	12.7
280.23642	0.9
297.15384	7.6
297.24371	100.0
298.24796	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	297.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
64.30235	0.6
69.09092	6.5
75.25506	0.6
78.03062	0.6
101.60303	0.7
127.11294	2.9
171.10292	11.8
183.01268	2.4
279.23334	12.6
280.23682	1.2
295.22891	0.9
297.03952	0.8
297.15323	4.7
297.24384	100.0
298.24734	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	299.0564
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.62233	0.3
52.82934	0.3
53.85268	0.3
63.02402	2.6
64.24755	0.3
65.00333	1.1
67.53402	0.3
71.17257	0.6
72.85198	0.3
83.01426	1.5
96.63692	0.3
107.01407	3.6
112.62213	0.3
116.17178	0.3
132.02174	0.5
133.02919	1.6
134.03781	1.8
148.01665	0.5
149.99634	0.9
151.00389	5.0
177.17421	0.3
181.23448	0.3
183.04503	1.2
187.04012	0.8
188.04929	0.6
193.36642	0.3
199.04010	1.0
200.04755	0.9
211.04008	2.2
212.04825	0.4
213.01445	0.3
227.03516	2.8
228.04312	0.4
239.03561	0.7
255.02936	2.2
256.03790	10.5
257.04102	0.5
273.61182	0.3
283.02542	1.1
284.03278	100.0
285.03635	5.4
297.47934	0.3
299.05621	67.1
300.05957	5.1
310.16101	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0565
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.03596	0.3
59.01376	1.2
63.02402	0.7
64.27389	0.3
65.00322	0.6
69.08871	2.6
72.85220	0.4
83.01413	0.5
95.85047	0.3
104.02704	0.3
107.01426	1.4
125.02446	0.4
132.02164	1.4
133.02951	0.4
134.03728	0.4
151.00397	3.1
152.00883	0.3
170.08386	0.3
174.03252	0.4
177.12878	0.4
183.04521	0.5
188.04776	0.6
195.13895	0.5
199.03954	0.6
200.04822	0.4
211.04010	0.8
214.02679	0.3
227.03516	3.0
237.14954	0.5
239.03642	0.4
239.12856	1.0
243.80998	0.3
249.76033	0.3
255.02994	1.6
256.03787	35.1
257.04138	1.9
283.02515	0.5
284.03284	100.0
285.03619	5.8
285.06583	0.5
299.05630	69.7
299.14813	2.6
300.06006	5.1
302.77039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01387	0.9
67.99033	0.2
69.12951	1.1
69.13364	0.5
71.01376	0.4
73.53419	0.2
81.03475	0.3
85.02956	0.3
88.03989	0.2
93.03469	6.6
98.21819	0.4
101.02457	0.2
104.86595	0.2
108.02193	0.7
109.02969	0.5
136.01680	2.3
137.02461	100.0
138.02802	3.3
138.05646	0.9
141.13533	0.2
204.53113	0.2
213.49312	0.2
217.00308	0.6
299.07785	7.6
300.08170	0.5
300.19391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01380	3.5
68.01418	0.4
69.61762	0.3
70.57275	0.8
71.01379	3.8
73.02953	0.9
73.83349	0.4
83.01389	0.6
85.02969	1.6
89.02470	1.9
93.03468	66.6
94.03799	1.6
101.02441	1.3
102.81137	0.3
113.02450	1.3
119.03540	0.6
119.05003	0.6
122.78155	0.4
123.03277	8.2
137.02461	100.0
138.02809	3.9
138.05627	78.5
149.36914	0.4
152.07147	0.9
161.04601	0.4
165.04362	0.4
167.05927	0.5
180.06705	1.1
217.00345	0.7
248.51808	0.4
299.07791	1.0
300.10925	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	299.0777
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01381	6.9
60.30017	0.6
62.93334	0.7
69.68918	2.3
71.01382	1.9
83.26187	0.7
83.86201	0.7
85.02966	1.0
93.03468	82.5
94.03810	1.8
98.21785	1.2
103.93890	0.8
117.00542	0.7
137.02461	100.0
138.02809	2.6
138.05615	2.9
174.99222	1.7
181.04951	0.9
182.90794	0.8
217.00291	6.5
294.35135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99450	1.8
56.32681	1.6
57.65363	1.6
59.01381	10.1
60.68200	1.9
69.37422	6.7
69.37840	5.1
71.01379	2.5
74.99107	1.7
76.71068	1.7
93.03468	100.0
94.03823	2.0
97.34461	2.0
98.21826	2.2
121.02953	3.8
136.04878	2.2
137.02460	98.9
138.02809	3.7
138.05579	2.5
174.99284	2.0
176.52568	1.7
188.73186	1.6
190.90231	1.8
193.70564	1.9
217.00317	8.3
270.65570	2.3
301.55908	1.8
316.87198	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	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
58.00594	5.5
59.01384	100.0
60.01690	1.6
71.01389	67.6
72.99314	5.3
73.02953	3.3
74.99100	4.5
75.79729	1.6
81.26501	1.3
83.01405	4.1
85.02955	15.9
87.00883	4.8
89.02454	85.2
93.03461	9.8
95.01357	3.6
98.21725	3.0
101.01812	3.4
101.02450	37.4
107.05038	2.8
113.02457	27.2
116.07220	1.7
116.61829	1.6
119.03503	34.4
119.04969	13.8
130.08749	6.2
131.03487	4.6
136.07706	2.7
137.02452	6.6
137.06102	8.6
138.05626	14.1
143.03474	3.0
147.40756	1.4
154.08023	1.4
161.04546	1.6
169.09906	1.6
179.05626	3.5
214.15639	2.0
228.64171	1.7
299.11301	12.7
299.14774	2.1
300.11108	1.6
300.15768	2.2
300.19269	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	299.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79867	1.2
58.00606	5.3
59.01387	100.0
62.17055	1.3
62.30689	1.3
69.74656	4.4
69.75066	2.0
71.01392	68.1
72.99310	7.8
73.02959	3.0
73.45053	1.2
74.02481	5.2
74.99110	2.7
75.00894	1.8
78.37598	1.2
83.01400	2.6
85.02959	13.1
87.00909	4.1
88.04065	4.8
89.02459	79.7
90.02763	1.4
93.03483	4.7
94.81091	1.2
95.01421	3.3
101.02458	32.7
107.05038	14.8
109.57923	1.2
113.02469	27.5
119.03528	32.7
119.05033	30.5
121.02953	1.3
131.03539	2.6
137.02492	11.0
137.06099	20.3
138.05638	11.9
143.03520	3.1
161.04558	2.1
179.05647	3.9
217.00189	1.3
299.11481	3.1
299.15024	2.7
300.16028	1.8
300.19299	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	299.1505
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
57.43785	0.4
59.01386	73.2
60.01714	1.1
61.11494	0.5
64.90981	0.5
65.00330	0.7
69.21419	2.0
69.21840	2.0
70.71096	0.5
71.05027	7.6
75.72683	0.5
83.00944	0.5
107.01425	0.6
130.25493	0.5
132.02287	0.8
139.11328	0.7
145.98395	0.5
151.00418	1.5
164.74023	0.5
167.10780	0.7
167.14429	0.7
177.12863	20.5
178.13243	1.7
183.04584	0.5
195.13921	14.9
196.14243	1.3
199.04073	0.7
200.06606	0.5
212.62592	0.5
213.15012	2.1
217.00298	0.9
221.11786	0.8
227.03593	1.5
235.07985	0.5
237.14981	16.0
237.18564	0.8
238.15405	0.7
239.12910	41.7
240.13208	2.7
255.03021	0.9
255.15916	0.7
256.03799	11.8
257.04190	0.8
271.35376	0.5
281.13965	0.7
284.03296	35.3
285.03619	2.6
299.02240	0.9
299.05679	22.5
299.15024	100.0
300.06088	1.7
300.15448	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	299.1868
Annotation	Achaetolide
Peak:m/z	Relative Intensity
57.03456	2.9
58.00599	0.5
59.01389	8.9
64.95135	0.4
69.03450	1.5
69.22504	0.9
69.22906	2.3
71.01385	1.7
71.05016	1.1
72.04632	0.4
73.02927	0.5
75.11783	0.4
75.65555	0.4
83.01414	0.6
83.05016	1.9
84.02158	1.1
85.02968	5.2
95.05042	3.3
97.02944	0.5
97.06599	12.4
99.04506	0.8
99.08179	4.7
103.04021	0.4
109.06613	1.3
110.03726	1.0
111.04520	0.6
111.08180	0.7
113.06059	0.4
114.32383	0.4
121.06614	1.0
121.10255	0.4
123.08161	0.4
125.06104	0.7
127.03509	0.4
127.07639	0.8
127.11291	2.1
135.08231	1.0
137.09743	3.4
139.07666	1.7
139.11316	5.1
143.07167	9.0
147.08195	0.8
149.09770	4.4
151.07678	0.5
153.30571	0.4
155.10811	7.8
157.08696	1.5
165.09232	1.7
165.12823	0.5
167.10774	0.8
169.08791	0.9
171.10194	0.4
175.07651	1.0
181.08694	2.5
183.10286	26.6
184.10564	1.2
193.08762	2.4
195.13930	1.4
201.11340	15.4
202.11737	0.6
211.09732	1.8
219.17604	1.6
229.10875	0.6
237.15025	1.7
255.16010	0.6
263.16577	3.9
264.16861	0.5
281.17603	2.2
284.03445	0.8
299.18665	100.0
300.15579	0.8
300.19016	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	299.202
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01371	1.6
65.56292	0.3
71.27591	0.6
82.88364	0.4
83.70050	0.3
90.88914	0.3
92.81997	0.4
106.15765	0.4
116.63578	0.4
126.79037	0.4
150.38835	0.4
174.99181	0.4
185.00775	1.2
217.00269	1.1
227.10791	9.2
228.11247	1.0
237.22208	2.1
241.12546	0.5
269.15561	0.9
281.21243	1.4
283.17029	1.0
299.20142	100.0
300.20502	8.6
324.78601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2019
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
59.01377	0.6
71.29762	1.0
72.47379	0.4
86.04427	0.5
88.71304	0.5
181.84483	0.5
287.70480	0.5
299.02243	0.7
299.20200	100.0
299.25861	3.4
300.20486	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	299.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
69.87186	1.2
93.80476	1.1
98.21728	1.8
138.05635	1.6
185.00710	1.3
217.00269	4.2
235.20583	1.3
237.22264	68.3
238.22574	5.2
255.23390	1.9
281.21271	34.8
284.03214	1.8
299.02029	1.4
299.15173	6.6
299.22318	100.0
300.22672	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	300.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39921	0.3
50.92661	0.2
53.73068	0.2
57.45851	0.2
59.01375	0.9
68.01423	0.6
69.28308	0.7
69.28724	0.9
71.01383	0.4
72.99330	0.4
74.02472	1.2
75.00881	2.3
89.02451	0.3
90.89793	0.2
95.05013	0.5
120.04566	0.5
122.02524	0.4
123.03282	18.2
124.03604	0.4
129.10403	0.4
135.03015	9.9
136.03296	0.3
136.07697	0.5
137.04826	0.6
138.05629	100.0
139.04066	0.3
139.05995	2.9
149.02502	0.5
152.07271	0.3
167.03401	0.3
180.06645	1.6
272.72165	0.3
300.07623	0.5
300.10953	3.2
300.19360	0.7
301.11124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86065	0.2
54.02358	0.2
59.01379	0.8
68.01421	0.6
69.81076	1.0
73.02922	0.2
79.93318	0.3
89.02474	0.5
94.85734	0.2
95.05022	0.3
98.21867	0.4
122.02493	0.3
123.03288	10.6
124.03556	0.3
137.04831	0.6
138.05634	100.0
139.05986	3.7
148.16039	0.3
152.07245	0.7
165.04353	0.3
167.06024	0.4
176.79552	0.3
180.06680	2.0
252.27966	0.3
300.10950	4.8
301.11194	0.3
307.56210	0.2
319.63480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.7
64.16707	0.2
68.01408	0.6
69.53928	1.4
71.01367	0.4
73.07525	0.2
81.96825	0.3
89.02432	0.4
93.03480	1.6
94.03809	1.2
95.05043	0.3
95.63155	0.3
122.02486	0.8
123.03279	11.1
136.04018	0.2
137.02472	2.1
137.04843	0.9
138.02838	1.8
138.05626	100.0
139.05957	2.8
149.46442	0.3
152.07196	0.7
165.04317	0.7
167.05917	0.4
168.06708	0.3
180.06660	2.3
209.34213	0.3
233.50229	0.2
300.10919	5.1
301.11496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00346	0.4
50.63874	0.2
58.00616	0.3
59.01374	1.9
68.01424	3.0
68.96192	1.3
68.96626	1.0
71.01398	0.7
73.02946	0.2
82.62427	0.2
85.47979	0.2
87.05652	0.6
89.02475	0.4
89.33141	0.2
94.06641	0.4
96.04573	0.5
98.21776	0.3
109.14339	0.2
110.06179	0.3
113.16870	0.2
116.07208	0.6
122.02491	0.8
123.03283	6.8
123.92839	0.2
124.04025	0.3
124.07687	1.0
125.06103	0.4
130.08755	3.5
136.07706	0.5
137.04860	1.2
138.05627	100.0
139.06001	3.1
139.07703	0.2
140.07179	0.3
141.10356	0.3
152.07196	1.9
166.08727	0.6
167.05888	2.4
168.06680	0.6
169.09810	0.4
180.06682	5.0
185.16618	0.4
210.07759	0.5
214.15608	0.6
242.77367	0.2
256.20398	0.4
300.10898	10.8
300.16165	0.3
300.19226	3.4
301.11194	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1932
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
59.55618	0.8
66.03479	1.5
67.05780	0.9
69.12315	8.0
83.05035	0.9
85.49216	0.9
87.05643	18.3
97.04089	2.2
115.08783	1.4
116.07193	30.4
117.07495	1.1
130.08754	93.1
131.09088	3.0
138.05649	2.2
139.08788	5.8
141.10356	3.8
143.11935	2.5
153.10411	1.2
155.11932	2.3
157.13498	1.7
168.13956	1.5
169.09831	11.3
183.11385	6.1
185.16612	19.7
186.16852	1.1
249.00319	0.8
256.20334	21.1
271.06152	1.6
296.25256	0.9
300.19318	100.0
301.13031	1.5
301.19626	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	300.1935
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
58.26736	0.5
60.01697	0.6
62.76537	0.6
63.80511	0.7
66.03497	0.7
69.23592	3.6
69.24010	1.2
72.00900	0.6
73.04076	16.1
74.02488	0.8
79.31143	0.5
80.05048	0.8
82.06647	1.0
83.02085	0.7
83.02522	3.2
94.15927	0.6
97.06607	1.1
98.22485	1.1
114.09269	0.8
125.10889	0.6
129.10385	1.4
130.08757	100.0
131.09114	1.5
138.05629	0.6
139.08778	5.9
141.10358	6.0
143.11948	5.3
147.00896	1.6
148.01228	1.5
162.03159	0.8
163.03651	0.9
168.11420	0.7
169.09839	20.8
182.15529	1.3
186.12357	1.0
199.18179	38.9
200.18439	1.8
231.12279	0.8
243.17152	1.9
256.20319	14.8
257.20737	1.0
270.04767	1.4
285.07108	1.1
300.09930	3.1
300.19305	88.8
301.19595	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	300.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88395	0.5
57.76068	0.6
57.98375	0.6
63.43926	0.6
69.22312	4.0
73.04078	15.4
74.02503	0.7
82.06658	0.9
82.86323	0.5
83.02519	2.8
89.80758	0.7
91.49001	0.6
94.17411	0.6
97.06633	0.8
98.22601	0.8
114.09235	0.7
129.10339	1.4
130.08754	100.0
131.09085	3.3
134.53038	0.6
138.05647	0.6
139.08786	5.3
140.34996	0.6
141.10387	5.6
142.10695	0.7
143.11897	4.6
147.00943	1.4
149.02005	0.8
162.03172	0.9
163.03598	1.2
168.11385	0.8
169.09839	20.6
182.15497	2.3
186.12543	1.0
199.18175	35.3
200.18567	1.4
225.05566	0.7
243.17076	2.0
256.20334	14.7
257.20715	0.9
270.04956	1.1
285.07309	1.1
300.09952	3.3
300.19299	88.2
301.19571	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	301.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89156	0.3
59.01384	87.9
60.01714	0.6
69.46953	0.5
69.47356	1.0
70.62916	0.3
71.33321	0.4
74.99383	0.3
81.05133	0.3
115.02528	9.9
116.02636	0.4
116.99669	0.5
117.00467	8.6
117.95512	0.4
118.00571	0.4
121.35533	0.3
156.93150	0.4
156.99986	0.5
157.03566	2.4
158.03799	0.3
159.01512	100.0
159.96619	2.0
160.01643	5.2
174.99626	0.3
198.99467	0.4
201.02562	22.7
202.02713	1.7
217.00587	0.9
241.00473	0.6
259.01563	2.9
260.01801	0.4
283.01764	0.5
301.02682	47.0
302.02856	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	301.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	94.8
60.01725	0.9
69.07395	5.4
71.01383	1.1
72.99295	1.3
73.04074	0.6
74.02509	0.8
83.53836	0.5
87.00931	0.7
88.04061	1.1
93.03468	1.0
96.00944	1.6
97.02987	0.5
99.00904	0.6
101.01004	0.6
103.04037	0.9
113.02419	0.5
114.01978	1.1
115.02525	9.6
116.07201	1.1
117.00451	10.8
119.00197	0.8
121.02977	1.0
121.60989	0.6
123.00881	1.3
129.10408	0.9
130.08740	0.5
138.03192	0.7
138.05606	0.7
139.04025	4.1
139.05965	0.6
142.96643	0.7
143.02003	1.4
148.97798	0.6
157.03586	2.9
159.01514	100.0
159.96556	0.7
160.01642	6.9
174.99336	1.2
186.12483	1.9
189.00829	0.6
201.00899	1.0
201.02562	23.4
202.02756	1.5
217.00473	1.3
259.01672	2.6
260.04565	3.0
301.02689	39.2
301.15247	2.2
302.02789	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	301.0357
Annotation	Morin
Peak:m/z	Relative Intensity
52.14050	0.8
57.03452	7.8
63.02406	5.0
65.00323	5.8
69.21333	1.8
69.21737	4.3
80.35793	0.8
81.03426	0.8
83.01398	7.5
83.20753	0.8
93.03475	9.4
95.01398	2.0
96.35187	0.8
98.22498	1.6
105.03430	0.8
107.01398	7.9
107.05044	2.6
108.02206	0.8
109.02959	2.1
117.03453	1.9
119.01436	0.9
119.05009	1.9
121.02972	14.4
123.00897	1.5
124.01692	2.3
125.02460	35.7
131.05054	1.1
135.00833	1.8
135.04523	2.4
137.02449	3.8
139.04008	2.4
143.05020	2.3
145.02960	4.6
147.00880	1.1
147.04533	1.5
148.93878	0.8
149.02441	9.2
151.00371	16.5
152.01082	1.8
155.05060	1.5
157.06613	1.0
158.03661	1.1
159.04507	5.1
161.06105	1.0
163.04013	5.6
164.01106	1.2
165.01967	2.4
167.05022	1.1
169.02982	0.9
171.04529	2.3
173.02472	1.0
173.06081	1.3
177.01930	2.1
177.05551	1.7
178.99855	4.8
183.04475	4.3
185.06050	0.8
186.03139	0.8
187.04024	8.1
189.05554	1.3
191.03484	3.5
194.46289	0.9
199.04004	2.3
201.05606	3.0
203.03485	1.1
205.05019	2.3
211.04066	3.9
214.02603	0.8
215.03526	7.3
227.03481	6.5
229.05011	1.9
231.03062	0.9
232.18202	0.9
233.04567	1.2
239.03519	1.4
245.04463	1.8
255.03035	6.6
257.04596	2.8
273.04077	45.2
274.04437	3.0
283.02493	2.4
287.96512	0.9
301.03561	100.0
302.03922	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	301.0359
Annotation	Anhydrofusarubin lactone
Peak:m/z	Relative Intensity
54.22517	1.0
59.01381	9.2
63.02402	6.6
65.00330	9.1
73.02947	1.2
81.61639	0.9
83.01397	4.7
93.03455	1.2
95.55327	1.0
98.21724	2.1
105.03467	2.2
106.06528	1.2
107.01406	9.5
108.04581	4.9
109.02953	1.3
115.05545	1.2
119.01477	1.2
121.02977	4.6
124.07693	2.4
125.02496	1.6
133.02972	3.2
136.07712	8.1
143.05040	4.2
145.02971	3.3
147.00882	1.7
147.04521	5.2
148.01578	1.3
148.78729	1.2
149.02455	8.9
151.00369	14.8
159.04524	2.0
161.02429	1.4
161.06085	1.8
163.00385	1.5
163.03984	1.2
165.02025	1.5
166.14708	1.1
167.05028	2.3
171.04504	3.8
173.02422	2.6
177.01830	1.1
183.04541	5.3
185.02454	1.6
185.06058	2.6
187.03996	2.9
189.05586	3.5
199.04018	1.4
211.04047	5.0
213.05550	1.9
215.03477	4.3
227.03511	16.6
227.12875	1.7
229.05074	5.4
239.03464	1.4
240.04204	1.2
255.02994	65.8
256.03351	3.5
257.04562	43.5
257.12991	20.5
258.04782	2.3
263.53864	1.3
282.99307	2.5
283.02493	68.5
284.03146	14.1
301.03549	100.0
302.03873	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	301.0721
Annotation	Nanafrocin
Peak:m/z	Relative Intensity
59.01390	3.4
59.86591	2.2
60.37654	2.1
63.02406	3.7
65.00333	2.9
66.85450	2.5
70.26471	7.4
70.26814	2.8
73.40902	2.4
80.59738	2.3
83.01411	4.7
93.03442	2.6
107.01383	10.0
145.03000	2.3
149.02452	3.6
151.00409	9.3
158.56111	2.2
166.73943	2.2
172.05313	2.2
183.04530	3.9
183.13925	7.8
185.06126	3.6
196.05295	6.2
197.06035	3.2
199.04013	5.8
203.25957	2.4
211.04060	9.6
212.04788	12.6
213.05563	5.9
224.04832	10.4
225.05577	4.5
227.03569	8.6
229.05029	4.1
239.01494	2.4
239.03505	13.7
240.04274	61.3
241.05049	67.4
242.05713	9.9
252.04251	9.2
255.03021	33.2
257.04712	20.9
257.08203	27.8
268.03790	34.4
273.03955	4.9
283.02551	31.8
283.06137	100.0
284.03149	7.8
284.06531	6.5
300.99997	7.5
301.03546	43.1
301.07205	59.7
301.10696	3.7
301.16641	6.1
301.20267	13.6
302.07266	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	301.0936
Annotation	Isotachioside
Peak:m/z	Relative Intensity
55.35532	0.4
58.01233	0.4
59.01391	0.7
70.29041	0.7
70.29385	0.6
71.01398	3.4
73.02953	1.2
85.02978	2.0
93.35881	0.4
95.01408	6.9
101.02456	2.1
108.02225	0.9
109.03001	1.2
113.02467	3.0
121.03005	1.9
122.03780	0.4
123.00915	100.0
124.01794	5.0
125.02498	0.5
136.01727	0.5
137.02547	2.8
138.03256	61.7
139.04086	10.9
149.02458	2.4
150.03165	0.4
151.04044	1.6
159.02966	0.9
161.04596	2.5
163.04048	0.9
166.02734	2.0
178.02777	1.2
181.05093	5.5
193.05095	2.7
301.09271	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	301.1084
Annotation	Dalberatin E
Peak:m/z	Relative Intensity
54.92109	1.0
57.03428	1.3
63.02404	0.9
63.60224	1.2
65.00331	2.2
71.25422	1.9
82.57931	0.9
83.01409	1.7
93.03444	1.1
95.01431	1.3
107.01449	1.6
109.02953	1.9
121.02943	3.1
123.00871	2.0
123.04536	1.8
125.02464	4.4
149.02470	9.3
150.03252	7.3
151.00395	2.8
155.05161	1.4
159.04506	1.5
164.04823	1.4
165.05594	12.9
167.05113	1.3
171.04602	1.8
183.04535	4.5
184.05283	4.8
185.06070	2.2
187.04071	8.1
188.04265	1.1
188.26079	1.2
189.05493	1.4
195.04538	7.4
196.05350	2.6
197.06073	5.0
199.04028	1.2
208.05292	1.0
209.06136	1.1
211.04056	6.0
212.04802	11.1
213.05630	6.5
215.03583	2.3
223.03996	3.9
224.04700	2.9
225.05583	28.0
226.06242	3.5
227.03455	1.9
227.07155	6.6
236.04889	1.7
237.05499	2.5
238.06332	1.3
239.03400	1.2
239.07109	2.5
240.04282	47.5
240.07863	11.5
241.05052	15.0
241.08479	2.4
242.05632	1.5
243.06683	2.1
252.04150	1.6
253.05070	22.1
254.05463	2.0
255.06648	100.0
256.07257	16.4
257.04480	2.0
267.06720	1.7
268.07416	14.8
269.07883	1.9
270.08997	89.5
271.06183	8.3
271.09698	35.2
273.04068	3.5
283.06735	1.2
283.09747	5.2
286.08438	8.9
286.11270	1.3
301.00192	1.8
301.03564	15.1
301.10794	27.8
301.16385	1.7
302.11237	1.2
318.16577	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1296
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
54.21230	0.7
57.03449	2.7
59.01096	0.9
59.01387	17.1
69.66492	2.7
71.05025	0.8
72.99318	30.6
73.02953	0.9
75.00885	18.3
81.07074	1.1
83.05030	3.3
85.02966	1.5
86.13197	0.7
87.00890	2.7
87.04523	1.0
97.06623	1.2
107.05011	1.2
109.06595	2.7
125.06097	1.0
129.70381	0.8
129.90619	0.7
137.09760	0.9
139.07693	1.3
161.09749	0.8
163.11325	1.9
165.09247	2.8
172.20950	0.8
178.33865	0.7
183.10271	1.6
191.05632	1.1
213.11340	8.7
223.09798	1.1
225.11383	5.7
239.12924	25.2
240.13281	1.0
241.10838	34.1
242.11215	1.6
283.11899	5.8
284.12418	0.8
296.71780	0.8
301.12970	100.0
302.13281	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	301.1665
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.64797	0.2
56.76998	0.2
60.97510	1.1
63.49683	0.3
63.98461	0.2
64.70124	0.2
70.84727	0.6
74.99094	0.8
91.02213	0.3
118.96297	0.8
120.97839	0.4
134.99428	7.2
135.99326	0.3
136.97336	3.1
141.07465	0.5
143.05353	0.5
150.98883	0.5
159.08498	1.9
161.06425	7.3
193.20836	0.2
201.04094	0.7
203.05663	3.5
204.05746	0.4
205.03566	1.3
206.63115	0.2
206.86198	0.2
215.05742	1.3
217.07233	91.3
218.07365	6.2
235.08261	0.8
256.56876	0.2
261.06253	1.4
280.47910	0.2
283.02689	0.3
283.11868	0.7
283.15109	0.3
285.13513	38.7
286.13715	3.9
300.99963	0.6
301.16629	100.0
302.16843	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	303.0515
Annotation	Taxifolin
Peak:m/z	Relative Intensity
54.32810	0.6
57.03453	17.9
59.01385	11.6
63.02399	0.6
65.00329	3.3
68.96983	6.3
71.01385	1.0
81.03438	0.6
83.01395	5.7
83.01804	0.7
85.02972	0.8
95.01386	1.0
107.01417	2.6
108.04529	0.6
109.02966	2.7
111.00882	1.0
117.03500	0.6
121.02962	1.8
122.03766	0.9
122.06113	0.6
123.00893	0.8
123.04537	7.4
124.01665	2.2
124.07718	1.1
125.02463	100.0
126.02787	3.0
136.07677	1.1
137.02464	1.6
139.04033	1.9
143.05109	1.0
143.07082	0.7
145.02985	1.9
146.03795	0.8
147.04541	2.0
149.02464	5.6
150.03265	6.4
151.00381	8.4
151.04019	9.9
152.01192	3.6
153.01970	6.9
158.03630	0.6
159.04538	0.6
161.02480	1.2
161.06198	1.1
165.05583	1.0
168.06630	0.8
171.04556	2.2
173.02449	0.7
173.06107	0.8
174.03218	4.0
175.04024	17.6
176.04428	0.7
177.01958	17.4
178.99896	9.2
181.01457	2.0
185.06120	0.6
188.04839	2.1
189.05591	4.0
191.03584	0.9
191.07158	0.7
193.05130	3.4
198.03217	0.9
199.04019	9.2
201.01993	2.5
203.07309	0.7
213.05528	1.2
216.04333	1.6
217.05064	10.2
225.14967	0.6
227.12936	2.4
231.06644	1.5
241.05130	7.2
243.03070	1.9
257.04568	0.9
259.06082	5.3
267.03027	0.7
267.67456	0.6
275.05624	5.5
285.04080	57.5
286.04352	4.4
303.05176	5.7
303.10898	0.9
303.13998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0513
Annotation	Taxifolin
Peak:m/z	Relative Intensity
52.84100	0.7
57.03451	17.3
59.01386	0.8
63.67418	0.6
65.00330	3.3
68.99849	0.9
69.11845	5.6
81.03448	1.0
83.01386	5.9
93.03448	1.0
93.35640	0.6
95.01463	0.7
98.22546	1.5
107.01404	3.7
108.02197	1.1
109.02977	3.1
111.00883	1.1
117.87984	0.6
121.02969	2.5
122.03733	0.8
123.04533	8.1
124.01703	2.2
125.02463	100.0
126.02803	2.6
133.02957	0.9
137.02477	1.9
139.04039	2.2
140.07231	1.0
141.07512	1.8
146.03745	1.2
147.04550	2.4
149.02440	6.2
150.03246	7.2
151.00372	9.2
151.04005	8.2
152.01178	4.5
153.01949	8.9
161.06102	1.5
165.05557	1.3
171.04546	1.9
172.05330	1.1
173.02466	0.6
173.06128	0.9
174.03235	4.3
175.04018	16.5
177.01944	19.4
178.99895	9.8
181.01389	1.9
185.06129	0.7
187.19016	0.7
188.04820	2.2
189.05562	3.8
191.03569	0.8
193.05069	2.8
199.04036	10.8
201.01962	3.4
213.05731	1.1
216.04332	0.8
217.05077	10.6
219.03043	1.4
231.06606	1.9
241.05103	7.0
243.02963	1.1
259.06149	5.7
275.05600	6.1
285.04074	65.3
286.04419	4.0
303.05115	6.1
303.14594	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	303.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03456	2.0
58.00604	3.2
59.01385	100.0
60.01730	1.7
61.98837	2.3
65.03979	1.8
68.99816	1.2
69.76328	1.5
69.76720	1.3
71.01389	50.5
72.99313	4.6
73.02959	5.2
74.02478	1.5
75.00876	0.9
81.03451	6.0
83.01395	3.5
84.49200	0.7
85.02957	14.2
87.00889	5.1
89.02457	47.7
90.02810	0.9
90.97147	0.8
93.03452	4.8
95.01398	3.5
95.05028	1.7
96.04579	1.1
97.03013	1.0
99.00918	2.5
101.01005	2.0
101.02451	36.2
109.02982	2.6
111.04551	4.1
113.02457	17.2
115.02570	1.2
117.00475	4.6
117.02248	1.2
119.00222	0.8
119.03519	23.2
121.02974	1.1
121.04114	0.9
123.04534	8.7
125.02480	1.2
129.01912	1.1
131.02072	0.7
131.03587	2.0
132.98209	3.3
138.77151	0.8
139.05182	1.7
141.00536	0.7
141.05661	2.8
143.02066	0.7
143.03561	3.2
143.66199	0.6
144.06781	1.0
145.01480	2.4
145.09863	1.7
146.99788	8.8
149.04636	1.6
159.00150	1.1
159.01512	15.2
159.02872	1.0
159.05290	0.7
160.01646	3.5
160.97777	3.1
161.01225	12.4
161.04610	6.7
172.97771	1.0
174.99280	3.2
179.05611	4.8
185.06798	0.7
201.02640	2.5
201.06158	1.0
202.03069	0.7
203.02408	2.5
212.95569	0.7
213.07692	0.9
218.49193	0.7
243.03598	1.2
261.01505	1.1
274.14017	1.0
274.99396	0.7
285.09875	3.5
289.00824	0.8
300.02591	0.7
303.02524	12.3
303.11075	12.6
304.02960	1.2
304.14563	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	303.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
59.01385	100.0
69.47598	2.2
69.48008	2.2
71.05009	0.7
72.79358	0.8
80.20039	0.7
83.05029	6.8
87.00893	3.1
95.05033	1.6
97.06031	1.0
97.06587	4.6
99.04535	15.3
106.67319	0.8
107.05065	2.4
110.03735	1.7
111.08189	1.2
123.08183	6.6
125.06100	21.6
138.77982	0.9
141.09218	2.1
146.97256	0.7
151.63519	0.9
159.06720	1.6
163.11267	4.5
165.09174	4.4
167.07188	5.5
181.12369	2.7
185.08202	28.2
186.08562	1.5
197.11914	1.0
207.10245	2.1
223.13358	4.1
225.11342	20.5
226.11705	0.9
241.14485	3.0
243.12386	28.0
244.12743	1.4
250.17406	0.8
267.12341	1.3
285.13504	13.8
299.65640	0.8
303.14526	94.6
304.14902	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	303.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06123	0.7
57.03450	5.1
59.01386	100.0
60.01716	1.6
62.31928	0.6
64.39665	0.6
70.86457	0.5
71.05035	1.1
83.05054	5.3
87.00901	2.1
95.05021	1.0
97.06601	4.4
99.04531	13.7
107.05054	1.9
109.06546	0.6
110.03737	2.9
111.08181	1.0
123.08186	6.4
125.06101	23.2
126.06450	0.6
137.09760	1.1
139.07742	0.7
141.08284	0.6
141.09276	2.0
163.11313	3.1
165.09221	3.6
167.07170	5.6
177.80667	0.6
181.12390	2.5
185.08215	25.5
186.08609	1.4
207.10318	2.6
223.13480	2.7
225.11334	19.3
226.11681	1.4
241.14508	2.5
243.12389	24.9
244.12814	1.5
267.12445	1.1
285.13437	12.2
303.14532	79.8
304.14929	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	303.1452
Annotation	Creoside I
Peak:m/z	Relative Intensity
57.03452	6.2
59.01384	100.0
60.22285	0.8
69.43174	5.0
69.64677	0.7
71.05024	1.1
78.22836	0.8
78.85847	0.7
83.05037	6.4
83.46160	0.8
87.00877	1.2
97.06619	5.9
99.04531	14.7
107.05078	1.5
110.03728	3.0
123.08167	8.0
125.06100	26.5
126.06442	1.3
141.09212	2.8
163.11218	4.3
165.09177	3.0
167.07144	5.5
172.99419	0.8
181.12357	3.2
185.08212	35.3
186.08469	1.6
207.10265	1.7
212.74455	1.1
223.13449	3.5
225.11342	21.3
226.11533	1.3
241.14478	3.2
243.12369	27.6
244.12698	1.3
263.72897	0.9
267.12363	1.0
285.13477	15.8
303.14511	89.9
304.14789	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	303.1453
Annotation	Urechitol B
Peak:m/z	Relative Intensity
54.21842	0.6
54.25297	0.7
57.03457	4.0
59.01383	90.5
71.01365	0.9
71.25965	1.0
71.26350	1.2
74.46955	0.8
77.26534	0.8
81.03470	1.6
83.01353	0.7
83.04533	1.4
83.05034	24.5
84.39981	0.6
87.00891	5.5
95.05035	1.5
97.06600	1.9
99.04531	4.9
107.05029	2.6
109.06602	1.3
111.04533	0.8
123.04478	1.1
123.08124	0.9
125.02466	4.3
125.06097	2.6
135.08186	0.8
137.09729	1.6
141.05582	2.9
150.06880	1.3
159.06654	18.3
163.11302	5.6
165.09238	5.6
175.04024	0.8
181.12422	1.1
189.51884	0.8
207.10342	1.0
212.54990	0.7
223.13451	4.1
225.11351	10.1
240.24303	0.7
241.14453	4.1
243.12392	34.2
244.12775	1.0
279.92612	0.8
285.04016	2.0
285.13455	7.6
303.14511	100.0
304.14877	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1452
Annotation	Urechitol B
Peak:m/z	Relative Intensity
57.03452	5.3
59.01385	100.0
60.01738	0.8
65.86483	0.9
69.23773	4.1
69.24211	2.9
70.21636	1.0
71.44231	0.9
81.03485	1.0
83.05035	17.3
87.00856	4.3
93.07113	1.0
95.05036	2.9
97.06585	4.3
99.04521	9.3
107.05021	1.8
109.06626	1.3
110.03762	1.1
123.08186	3.2
125.06090	12.6
133.73244	1.0
141.05603	1.5
141.09268	1.1
147.08061	0.9
150.06923	1.2
159.06656	10.1
163.11272	4.9
165.09218	6.0
167.07117	3.3
181.12302	1.6
185.08215	12.5
207.10291	2.5
223.13556	5.5
225.11311	16.0
241.14461	3.8
243.12393	30.6
243.14912	1.7
244.12842	1.6
280.29752	1.0
285.13461	9.9
303.14523	92.4
304.14835	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	17.4
60.01722	1.7
61.01813	0.5
61.98837	100.0
71.24443	0.4
104.25342	0.3
115.97585	0.3
116.02705	0.6
117.00465	0.3
117.02313	1.0
117.95564	0.9
118.00552	0.4
118.97617	0.8
119.00240	0.8
119.95242	2.1
125.60429	0.3
134.97072	3.7
159.01491	2.9
159.96565	1.8
160.01648	7.5
160.96756	0.4
161.01212	9.0
161.93546	0.3
161.96303	6.2
161.98965	21.1
162.01581	2.0
162.96553	5.8
162.99124	1.1
176.98158	1.3
201.02676	0.6
202.02725	1.8
203.02307	1.4
204.00029	4.1
204.02823	0.6
261.99103	0.4
262.01605	0.3
299.10925	0.3
304.00198	8.4
304.02927	6.2
305.00299	1.0
305.02914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
62.45021	11.0
70.58145	26.0
71.01401	20.4
80.57642	11.3
80.61727	9.4
83.58623	10.6
85.02952	28.0
101.02438	16.5
126.78879	9.7
129.06378	10.6
160.29442	9.8
224.57002	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	304.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	40.8
69.19750	1.4
69.20177	1.5
83.72826	0.3
96.49043	0.4
98.22568	0.8
168.13959	100.0
169.14272	4.1
212.12939	7.0
304.15955	0.4
304.19168	0.7
322.77869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25667	2.7
56.49440	2.4
59.01376	9.3
60.66624	2.9
68.99579	76.6
71.01382	18.4
71.25769	3.7
71.26117	4.2
72.99316	15.7
87.00903	3.6
112.66232	3.1
112.98587	100.0
115.00381	32.5
118.96658	4.1
130.96625	13.0
133.01439	81.8
133.02957	3.8
148.97694	10.6
156.17680	3.4
188.97263	6.5
202.95132	46.7
235.77643	3.0
244.96176	30.9
255.14803	2.8
305.07977	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	305.022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27886	2.1
69.23656	14.3
70.35435	1.7
75.60732	1.7
85.49355	1.7
107.01402	2.5
117.03490	13.2
149.02428	6.0
151.00429	5.5
152.21719	2.1
269.04572	100.0
270.04764	5.6
305.17590	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51456	0.8
51.99726	1.0
57.03453	2.0
58.00605	2.3
58.52567	0.8
59.01382	2.4
62.71720	0.8
69.03474	2.0
71.01393	10.0
71.27784	0.7
73.02967	1.7
81.03465	1.1
83.05038	5.4
84.02193	4.0
85.02963	3.4
85.06604	36.3
86.06951	1.0
86.64262	0.9
87.04510	1.9
87.08173	1.5
89.02431	1.5
93.03484	0.8
94.86279	0.8
95.05038	9.9
97.02970	3.3
97.06602	9.6
97.20859	0.8
101.02473	3.4
107.05064	7.8
113.02466	3.5
113.06083	5.7
115.07662	25.4
120.99674	3.4
125.06099	25.4
131.07132	1.0
143.07158	100.0
144.07494	3.5
159.03055	1.2
161.04608	2.7
175.04028	1.0
277.80881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.95516	0.4
57.03437	1.4
58.00598	2.7
59.01390	3.6
60.28630	0.5
64.52182	0.5
69.03447	1.5
69.06055	4.9
71.01395	9.3
73.02948	2.1
81.03504	0.8
83.01392	0.9
83.05034	5.5
84.02187	4.4
85.02966	3.5
85.06602	40.9
86.06922	1.2
87.04530	2.1
87.08169	1.9
89.02433	0.6
95.05039	10.4
97.02985	2.8
97.06602	10.7
99.00913	0.7
101.02470	3.0
107.05041	7.2
108.65124	0.6
113.02444	2.5
113.06105	4.5
115.07668	26.3
116.07993	0.8
125.06100	24.2
126.06430	0.7
135.01064	0.5
143.07161	100.0
144.07480	4.0
157.48593	0.5
159.02959	0.7
161.04578	3.4
201.47150	0.6
203.06180	0.5
241.36174	0.6
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	Corrin
Peak:m/z	Relative Intensity
58.23982	9.1
59.01397	19.1
61.98831	32.5
63.92585	8.0
70.27824	10.4
70.28156	23.0
71.05038	38.7
88.11449	7.7
95.05038	15.1
109.06567	13.1
116.92869	8.8
130.88475	7.0
142.78809	7.4
162.91216	14.6
165.09276	8.2
181.61980	7.5
189.12886	13.9
205.16090	7.9
219.69826	7.5
243.17439	11.3
246.88416	11.7
257.33331	7.4
272.80792	9.2
287.16531	67.9
305.08316	12.7
305.17609	100.0
326.44730	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	306.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.6
70.96999	18.6
71.01378	23.4
83.53905	11.9
87.00870	16.7
89.02489	13.8
94.80141	8.8
101.02449	16.6
107.19218	12.0
135.04515	34.6
144.04567	100.0
167.48088	11.8
179.03537	34.0
182.42580	9.9
278.48645	10.8
287.81589	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	307.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
70.23344	0.8
70.23710	0.6
71.01383	1.2
84.01388	0.3
84.26268	0.3
85.02969	1.5
87.00902	0.5
89.02449	0.6
91.64714	0.4
101.02467	1.0
107.05048	1.1
109.02970	2.4
113.02441	0.5
117.03529	0.4
133.02951	3.6
134.03780	3.4
135.04538	100.0
136.04852	3.4
161.02446	5.9
161.04526	0.6
175.07684	0.4
179.03513	96.2
180.03871	3.8
265.12927	0.7
289.07123	2.3
307.08249	12.7
308.08450	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94662	0.5
59.01373	1.7
60.64894	0.5
70.07665	0.6
70.88469	0.9
85.02960	5.7
87.00866	0.8
99.65607	0.5
105.91482	0.5
107.05040	1.3
109.02965	0.8
117.03506	0.8
127.04056	0.7
131.51300	0.5
132.02133	1.0
132.03027	2.9
133.02971	14.7
134.03766	4.7
135.04541	100.0
136.04863	3.9
150.03253	1.8
151.04103	0.6
161.02460	39.3
162.02809	1.9
169.62062	0.5
177.05634	1.2
178.02603	0.8
179.03516	96.4
180.03835	4.6
203.03506	1.1
259.27341	0.6
261.00360	0.5
289.07318	3.2
307.04718	1.2
307.08261	23.7
307.13675	1.1
308.08408	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	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07389	0.2
59.96747	0.5
60.83603	0.2
69.20798	1.7
74.99081	7.0
75.96219	0.3
78.93313	0.2
91.02216	2.6
93.00142	3.0
99.72901	0.2
135.04532	0.4
141.07431	0.3
143.05402	0.4
149.00978	3.1
159.07202	0.5
159.08487	7.6
160.08810	0.3
161.06439	2.3
192.98184	0.9
206.99757	1.5
209.01268	2.8
217.07224	0.8
223.02861	54.8
224.02921	4.7
241.03830	1.2
275.06152	0.3
289.07669	1.8
291.09143	100.0
292.09253	11.2
296.87332	0.2
307.12198	2.1
308.12167	0.4
309.10138	1.4
310.10181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
59.96709	0.5
63.41990	0.7
74.99080	6.6
85.73125	0.4
91.02233	2.3
93.00137	2.2
118.19006	0.4
135.04520	0.8
138.89519	0.5
149.00934	2.3
159.08484	6.7
161.06348	2.0
179.03549	0.9
182.85867	0.4
192.98061	0.9
193.87009	0.4
206.99706	1.8
209.01199	2.7
217.07301	0.7
223.02852	48.8
224.02908	3.8
228.76436	0.4
241.03822	1.1
268.20462	0.4
283.64365	0.5
289.07529	1.8
291.09134	100.0
292.09262	10.8
307.08926	0.5
307.12064	2.6
307.22974	1.0
309.10138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
56.09476	0.9
58.00599	1.2
58.69427	1.0
59.01100	2.2
59.01388	40.4
69.23578	7.7
71.01038	1.5
71.01392	21.5
72.99323	2.0
74.02474	1.3
80.16913	1.1
81.03506	1.0
83.01390	4.3
85.02962	6.3
86.02482	1.3
87.00887	3.2
89.02457	20.2
95.01404	2.8
99.00897	1.5
99.04539	2.8
99.08166	22.3
101.02454	14.2
106.17314	1.0
113.02470	8.8
119.03548	6.0
127.07674	5.0
127.35070	1.1
128.03569	2.2
129.03883	1.7
129.09293	1.3
135.04552	15.0
136.04836	1.2
137.02489	1.2
138.03246	1.2
141.09254	1.2
143.04706	3.9
144.04973	1.5
145.08725	69.2
146.09048	1.8
149.06049	3.9
161.02475	3.4
161.04564	1.2
163.04053	1.1
165.01971	1.9
165.44963	1.0
175.03954	1.3
175.07703	1.4
177.01944	1.7
177.05594	12.2
179.03508	17.4
179.07045	1.1
180.04018	1.2
187.09755	1.5
189.05559	2.4
192.07954	10.6
195.06654	1.2
198.64706	1.2
201.95848	1.1
203.07169	1.3
207.10300	1.8
217.01494	1.2
219.06700	1.3
223.06255	1.7
225.07677	1.5
233.04619	1.1
248.10394	1.3
249.05444	1.2
263.12949	2.0
307.08319	5.1
307.14035	100.0
308.14365	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
56.77457	0.8
57.03459	1.1
58.00593	1.6
59.01385	45.3
60.01683	0.8
66.17883	0.8
71.01392	23.6
72.99310	2.1
73.02940	1.2
83.01402	2.1
85.02971	6.0
86.00131	0.8
87.00878	3.0
89.02455	24.3
95.01405	1.8
99.00854	1.0
99.04522	2.8
99.08171	21.7
101.02464	15.2
104.24082	0.8
112.52879	0.6
113.02458	8.4
113.09781	1.0
119.03523	9.9
127.07687	4.4
129.09200	2.9
129.10104	0.7
131.03511	0.8
135.04562	4.6
141.09218	1.7
145.08723	71.6
146.09044	1.8
159.02988	0.8
161.04572	1.2
165.01930	2.6
179.03490	3.4
179.05571	1.1
180.04195	0.9
187.09735	1.9
195.06615	1.2
197.35156	0.6
203.07156	1.9
225.07640	1.7
229.49797	1.1
248.10640	1.0
263.12985	1.8
277.10764	0.7
280.51224	0.6
307.14029	100.0
308.14380	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98971	0.9
57.03446	1.3
58.00603	1.0
59.01387	100.0
59.20344	0.9
60.01740	1.1
69.29420	6.7
71.01392	14.3
73.02956	3.5
85.02966	5.5
87.00877	0.8
87.04567	1.4
89.02450	8.4
95.01416	1.7
101.02448	8.3
101.46031	0.8
109.03016	0.9
113.02473	4.1
119.03516	2.9
127.07679	1.7
131.15620	0.8
132.03058	4.9
133.02989	4.4
134.03757	1.6
135.04544	48.6
136.04883	2.2
145.08768	3.6
146.04602	1.2
149.04663	0.9
161.02472	11.3
161.04570	3.0
179.03514	44.7
180.03787	2.8
183.34943	0.8
188.02835	0.9
189.11359	2.0
223.84204	1.0
247.76389	1.1
265.12949	4.6
278.18607	1.0
281.12323	0.9
289.07422	1.4
307.08362	8.5
307.14038	18.5
308.08353	1.3
314.48395	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07250	2.1
55.01894	2.7
59.01389	12.1
61.98842	2.2
65.03969	63.2
66.04285	2.5
70.92498	5.2
71.05031	47.1
97.06606	67.6
97.07236	3.7
98.19788	2.1
102.35021	2.2
119.08701	8.4
121.06614	100.0
121.12668	2.2
123.08179	4.4
125.09727	42.2
135.04486	4.6
137.09714	3.4
159.15929	2.0
167.14433	2.0
179.03546	2.7
185.11850	82.1
186.12189	3.6
199.70178	2.1
209.11842	31.0
210.12105	3.0
211.13441	35.6
217.12366	3.4
235.13411	96.5
236.13783	4.9
245.19208	2.7
263.16492	5.7
270.82635	2.2
289.18149	20.8
307.15817	3.6
307.19168	35.1
308.19595	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	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.2
64.40961	4.7
69.13047	22.5
69.13470	17.4
86.86814	3.9
116.40202	4.2
126.01198	7.9
135.04485	9.1
154.00671	32.2
179.03529	11.5
209.11786	8.6
257.65387	4.8
263.20190	4.8
289.18228	9.9
307.15961	9.4
307.19305	100.0
307.22824	20.1
308.19186	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.0
59.01389	3.1
64.42037	0.6
69.03463	1.1
69.77215	2.1
71.01418	0.9
71.05028	5.7
80.02701	1.2
81.03482	2.4
83.05032	1.3
95.05052	2.2
97.06636	1.1
98.03761	1.8
106.04228	0.8
109.06607	13.9
111.04541	8.3
111.08190	1.2
112.05347	0.8
119.05022	0.6
121.06607	0.8
123.08183	1.4
127.07664	3.8
135.04623	1.0
135.08170	1.0
137.06181	0.7
143.10806	2.4
145.06602	2.8
149.06168	0.9
149.09749	1.4
151.11333	0.6
163.11304	0.8
167.10835	2.0
177.12737	0.5
179.03506	1.1
179.10780	1.1
181.12541	0.6
189.89622	0.6
191.14420	1.3
193.16197	0.6
195.13892	4.5
201.05957	0.6
205.15977	1.0
207.17581	0.7
235.13391	1.5
243.17505	0.6
245.19173	5.6
247.26945	0.6
249.14967	0.8
251.16557	1.5
263.20200	0.6
271.17050	2.1
273.15097	0.9
287.16617	3.0
289.18121	100.0
290.18460	8.4
307.16226	0.7
307.19177	19.2
308.19449	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98838	15.9
66.62115	4.6
71.28326	5.5
74.41695	4.7
78.05215	4.7
81.03470	6.3
83.05040	7.4
93.45911	5.1
97.02952	10.9
97.06596	9.3
112.04340	4.9
123.04536	12.6
125.09726	20.1
135.04526	11.9
135.08159	5.9
135.75662	5.2
137.09715	13.1
163.11340	16.1
170.26515	5.0
179.03560	18.6
181.12366	6.7
185.11876	24.7
189.92918	5.4
191.14456	13.1
207.10297	12.5
209.11888	34.8
212.95911	4.9
225.11314	15.7
233.15506	6.1
245.19151	49.3
289.18143	100.0
290.18112	15.9
307.19229	78.6
308.19083	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.6
57.03455	4.1
58.83633	1.4
61.98836	1.3
63.40805	1.3
65.03972	64.8
67.25056	1.3
70.79911	3.4
71.05031	35.3
83.05000	1.7
97.06605	70.6
98.06942	2.2
99.03848	1.5
119.08685	9.7
121.06614	100.0
122.06960	3.8
123.08176	2.5
125.09744	38.5
126.10077	2.2
126.39586	1.4
135.04556	1.5
137.09753	4.4
141.12816	2.4
149.34402	1.4
163.11298	1.6
164.65587	1.2
179.03528	2.2
185.11861	82.0
186.12202	3.2
209.11856	30.9
211.13438	34.3
212.36505	1.5
234.38680	1.4
235.13414	94.0
235.97473	1.3
236.13763	6.3
271.16953	1.6
289.18201	16.3
290.18317	1.5
307.19202	21.5
308.19583	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	307.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78088	0.6
57.03434	2.5
59.01375	1.4
70.84622	1.4
70.84948	0.9
72.99316	1.8
78.12928	0.6
83.05040	1.4
93.07088	1.7
95.05032	0.8
102.16710	0.7
107.08677	2.3
109.06546	1.2
110.47449	0.7
111.08144	1.9
119.08647	0.9
121.10249	32.2
125.09721	1.8
127.11285	1.0
137.09738	2.2
139.07645	0.8
141.09227	1.0
155.10809	5.9
159.36107	0.7
165.12875	2.3
168.52733	0.7
171.12523	0.7
179.03439	0.8
181.12431	0.7
195.94641	0.7
199.09802	2.0
206.74988	0.7
207.36613	0.8
208.27246	0.7
245.19124	2.2
247.13440	3.1
251.06494	0.6
261.18661	9.5
263.20212	1.6
263.85107	0.7
269.65634	0.8
289.18115	5.4
305.17767	0.7
307.19177	100.0
308.19562	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	308.1874
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
57.97320	0.3
58.02975	1.4
59.01365	0.5
69.58953	0.9
69.59373	1.1
77.09335	0.3
81.03469	0.6
85.37603	0.3
95.05061	0.7
97.06613	0.4
98.21706	0.4
109.06605	0.9
114.09258	6.6
114.10018	0.5
114.31481	0.3
116.07185	100.0
117.07518	2.4
122.13429	0.4
155.74783	0.3
156.70360	0.4
158.08299	0.8
165.12862	0.6
291.19809	0.6
308.18710	24.4
309.19370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01875	1.0
57.03448	1.2
58.00587	1.9
59.01385	69.0
67.15294	0.8
71.01389	34.7
71.05016	2.6
72.99305	3.6
73.02948	3.7
75.00874	12.6
83.01406	2.8
85.02958	11.3
87.00904	1.5
89.02451	33.4
95.01398	2.6
98.21640	1.0
99.00889	1.7
99.04533	3.3
101.01822	1.8
101.02454	21.8
101.06107	5.0
111.71929	1.1
113.02460	11.7
119.03508	14.7
129.01962	1.0
129.05579	13.3
131.03484	1.4
143.03519	1.1
147.06662	23.0
158.01738	0.9
161.04514	2.6
170.39827	0.9
172.03783	0.9
179.05557	2.5
237.06288	6.3
251.24289	1.0
309.11942	100.0
310.12384	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	309.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
68.50916	0.4
70.45234	1.0
74.37106	0.4
100.38847	0.3
103.62489	0.3
114.18056	0.3
135.04494	0.4
136.06230	0.4
148.05321	43.6
149.05643	1.7
151.04085	0.5
151.07730	0.5
152.08414	0.6
165.05586	0.7
179.01738	8.1
180.04306	100.0
181.04643	3.9
197.02794	0.7
209.15457	0.9
247.20847	0.4
249.18665	0.5
257.15424	0.8
265.21710	0.9
291.19702	0.5
293.88144	0.4
309.14844	3.4
309.20569	5.2
310.15417	0.5
310.21136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1712
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
51.93559	0.4
56.79634	0.4
57.03371	0.6
59.01271	1.0
59.01570	0.7
60.62598	0.3
71.47923	0.6
74.97784	0.3
75.67128	0.4
80.02611	0.5
82.72338	0.3
85.06474	1.6
96.95906	0.4
97.06516	0.7
98.22629	0.8
125.09628	0.4
131.33449	0.3
137.09673	0.6
163.11252	1.0
165.09111	0.4
165.12746	1.6
171.10211	1.1
179.14462	0.7
181.12241	0.7
183.13994	0.6
191.14352	0.8
205.15950	0.6
207.10161	0.4
209.11824	1.4
219.17442	0.5
221.19139	2.1
222.19380	0.5
223.13370	0.5
227.12883	1.4
247.17142	1.7
247.20724	1.8
265.18121	94.1
266.18457	7.7
266.84671	0.3
271.24780	0.4
273.18756	0.5
291.16122	7.2
291.19742	19.1
292.16602	0.7
292.20117	1.2
309.17200	100.0
309.20804	21.2
310.17535	8.2
310.21072	1.6
313.68237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1712
Annotation	Neobritannilactone A
Peak:m/z	Relative Intensity
57.79960	0.5
59.01385	100.0
60.01726	1.0
66.72541	0.4
70.01580	0.4
71.05023	9.5
83.05046	1.0
86.67348	0.4
98.21713	0.9
121.10236	0.6
123.08182	1.8
137.09756	1.0
144.71751	0.5
151.11316	0.8
154.04750	0.5
171.10297	1.6
185.11839	0.9
189.12784	0.6
205.16016	2.4
207.13948	1.6
223.17067	2.1
223.68097	0.5
237.15031	2.2
238.35477	0.4
249.14934	5.9
251.16585	1.0
265.18106	17.4
266.18393	1.3
273.18292	0.5
291.19717	3.5
293.56311	0.4
294.89838	0.4
309.17136	69.9
309.20651	5.6
310.17447	5.8
310.20752	0.7
316.14682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	8.8
59.01394	3.3
62.78503	1.6
69.03448	6.6
71.05025	3.9
71.28893	3.2
75.15732	1.7
83.05045	3.3
85.02946	2.3
85.06608	3.9
97.02968	36.0
97.06632	3.5
109.06628	4.9
111.04527	2.7
119.08711	1.8
125.09718	4.2
137.09770	9.3
163.06493	1.6
165.12837	4.8
171.10309	17.1
177.12805	2.4
179.10802	2.6
179.14432	5.0
183.13988	2.0
193.12384	3.2
195.13899	18.0
196.73471	1.9
205.12224	2.2
209.11827	1.9
211.13469	3.1
217.16000	3.0
221.11899	2.2
221.15504	16.1
223.13452	6.5
227.12930	2.7
233.15511	2.7
239.16614	6.4
247.20703	6.4
255.79767	1.8
273.18668	4.4
291.19681	90.6
292.19986	7.3
309.20734	100.0
310.20953	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
58.20065	0.5
69.03472	0.6
71.05042	1.0
72.99310	0.7
83.05055	1.5
84.66469	0.5
85.06597	0.6
97.06575	0.6
98.21732	1.2
98.27802	0.5
99.08199	0.7
107.08726	0.6
109.06577	0.7
111.08164	1.8
113.09744	0.7
121.10250	9.3
123.08195	3.1
125.09752	1.1
135.11835	3.0
137.09732	1.1
139.07683	0.6
141.09267	3.4
149.13324	1.2
151.07660	0.7
151.11320	0.6
153.09239	1.0
153.12845	1.3
155.10800	2.0
187.09764	9.4
189.16586	1.4
199.09705	1.0
209.15523	0.9
245.19209	2.5
263.20193	3.3
291.19693	12.3
292.19968	0.6
294.84061	0.6
309.20743	100.0
310.21066	9.3
318.52121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
57.03445	3.9
59.01363	5.0
69.20545	10.2
69.20957	2.8
71.05029	34.3
72.46201	1.4
83.09106	1.5
93.64416	1.7
97.06608	9.4
119.08662	2.2
121.10238	7.1
123.08167	2.7
125.09728	8.2
127.11302	1.9
133.42128	1.9
137.08774	2.8
137.09744	39.0
138.10075	1.8
150.33437	1.7
157.78914	1.9
166.60495	1.5
170.80740	1.7
171.10291	81.9
172.10532	2.0
181.12364	2.1
185.11873	11.1
195.13922	2.0
197.11813	3.5
207.13879	4.2
211.13411	3.2
219.13824	3.5
233.15479	4.5
235.17039	5.1
237.14926	4.5
247.20703	3.9
251.16539	36.0
252.16844	2.3
291.19678	100.0
292.20004	8.8
307.85812	2.0
309.17227	5.5
309.20734	82.9
310.21164	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87027	2.1
57.03462	2.1
59.01385	4.6
59.55932	1.8
68.27043	2.2
69.03471	4.8
69.37331	10.7
69.37748	4.1
77.86891	2.3
85.54234	1.7
85.96569	1.9
102.93416	2.2
107.08652	2.7
108.05831	3.3
119.08677	17.7
125.09722	7.7
127.11312	4.7
137.09732	34.6
140.05791	2.2
151.04056	2.3
151.07700	5.3
152.08423	4.9
153.09338	2.7
155.10803	5.1
167.10776	4.5
171.10287	100.0
172.10631	4.5
180.89111	1.9
183.10301	8.2
185.11847	24.6
194.87424	2.2
195.10291	3.0
197.11836	9.3
201.11383	8.9
209.15523	8.4
213.11331	9.3
223.17084	4.6
225.14922	2.9
247.20699	2.6
251.16574	9.5
258.81870	2.1
273.18582	9.0
291.19672	44.0
309.17099	13.8
309.20746	41.3
310.21091	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86730	0.6
52.53888	0.5
57.03444	2.6
59.01377	0.9
61.98835	0.7
64.60313	0.4
69.03448	1.1
69.04942	5.1
71.05025	8.1
83.05001	1.6
85.06593	2.1
87.02933	0.6
87.04523	4.4
89.97910	0.6
95.05029	1.1
97.06599	1.5
99.08181	1.3
107.08675	0.8
109.06583	0.5
111.08147	1.1
113.09716	0.6
113.63741	0.5
114.64131	0.5
121.10230	1.6
123.08173	0.5
125.09721	1.0
135.11847	2.7
137.09737	0.7
149.13390	3.3
151.03992	1.2
151.07619	2.0
152.08418	1.6
153.12849	0.9
171.10272	0.8
179.14465	0.6
189.16486	1.7
193.15985	1.9
203.14252	0.7
205.15970	2.3
207.17493	0.7
208.11060	0.6
209.15556	2.6
237.81468	0.7
245.19119	1.8
247.20616	0.9
249.14879	0.5
251.16553	6.6
263.20169	2.0
265.21759	2.1
281.21207	0.9
291.19684	13.7
292.19876	0.6
309.17340	5.5
309.20724	100.0
310.21045	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98822	2.4
69.08527	2.0
69.08871	12.3
80.92721	1.2
81.40500	1.3
96.27610	1.2
96.42726	1.4
98.21605	1.2
132.41318	1.3
151.04024	1.7
151.07616	5.0
152.08438	4.1
152.91666	1.3
158.28690	1.2
158.78870	1.4
172.10712	1.5
185.11919	1.6
193.12234	1.5
204.52673	1.3
209.15509	6.5
226.20631	1.3
247.20641	3.2
252.09940	1.5
260.59174	1.5
263.20090	2.4
265.21750	100.0
266.22156	7.7
291.19727	10.5
292.19598	2.4
309.17114	12.0
309.20691	94.8
310.17697	1.5
310.20889	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89638	1.4
59.01373	3.8
69.03463	7.2
70.82938	3.7
70.83282	2.3
71.05019	1.5
72.83956	1.5
119.08684	22.3
121.10239	2.3
125.09758	8.3
127.11287	2.9
135.08171	2.8
136.47769	1.4
137.08771	2.6
137.09740	34.9
139.11295	2.0
151.04031	2.8
151.11263	2.5
152.08395	1.9
155.10796	4.7
166.58734	1.8
167.10796	3.3
171.10292	100.0
172.10580	3.5
183.10258	5.5
185.11836	27.6
195.10188	3.0
201.11301	6.6
209.15453	3.6
211.13510	2.1
213.11392	10.2
229.19637	3.3
273.18796	9.3
280.45352	1.6
282.65433	1.6
291.19736	25.3
292.19937	2.7
309.17163	5.4
309.20715	60.1
310.20905	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
60.83824	0.7
67.71954	0.7
69.50356	4.9
77.44283	0.7
83.05004	1.0
95.05039	0.9
97.06607	1.8
113.09753	4.3
115.07668	1.6
116.29910	0.8
121.74690	0.7
126.06834	0.9
139.11292	1.7
141.09244	3.3
165.12903	4.0
167.10858	1.1
167.14456	1.9
181.12320	4.9
183.13937	1.4
193.12352	2.7
193.15886	1.1
195.13802	1.9
201.30617	1.0
211.13367	5.7
213.15083	1.2
221.15404	2.8
240.13713	3.0
241.14587	1.2
247.20702	4.8
263.20007	1.1
273.18610	4.0
281.21268	2.0
291.19693	53.5
292.19946	5.0
309.20749	100.0
310.21161	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10167	2.1
59.01372	3.7
62.48888	2.1
70.62607	4.8
71.05032	4.9
77.72630	2.6
79.95741	2.8
80.02682	11.0
80.96525	2.2
81.03461	3.2
83.05038	23.8
84.02183	9.9
96.96036	2.6
97.06615	5.8
99.08191	4.4
109.06612	3.2
113.09718	2.9
125.09752	5.3
127.11333	3.2
137.06177	2.5
137.09738	42.0
139.11330	12.0
151.04002	5.0
151.07664	10.0
152.08481	8.8
153.09288	5.6
155.10809	43.1
156.11148	2.5
171.10291	44.3
193.12370	18.3
208.11206	2.4
209.15501	17.8
211.13434	5.6
227.64526	2.6
247.20689	4.5
263.20206	4.6
265.18188	3.5
265.21753	12.5
291.19699	58.5
292.19678	7.3
293.54788	2.5
309.17123	21.1
309.20737	100.0
310.20981	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	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05429	1.7
51.27151	1.9
53.31928	1.6
57.03456	4.5
59.01376	4.1
61.98835	3.5
66.43992	2.1
69.96065	8.0
71.01423	1.7
79.71574	1.8
80.02708	3.2
81.03460	4.2
83.01406	10.4
83.05033	5.4
83.79295	1.7
86.27813	2.2
92.92822	2.3
93.03492	2.0
97.06623	3.1
99.92542	2.4
114.62131	2.1
116.35751	2.0
123.04554	4.4
123.08155	5.8
125.06021	3.5
125.09752	14.8
127.11360	3.0
137.09790	3.1
137.12428	1.9
139.11293	12.5
144.80710	2.2
148.05330	4.7
149.09717	2.5
151.03999	3.3
151.07668	8.6
151.11276	2.5
152.08437	5.6
163.11298	8.9
165.09279	2.1
165.12851	12.5
167.10793	5.6
171.10269	8.6
172.17842	2.3
180.04326	5.5
181.12418	4.0
185.11848	6.3
191.10783	4.2
193.16029	5.8
203.02013	1.8
209.11852	52.4
209.15350	10.6
247.20677	20.2
252.09999	3.4
265.21771	4.9
273.18597	3.2
281.21158	5.1
291.19699	100.0
292.19815	10.2
295.15631	2.4
298.60095	2.0
309.17053	12.3
309.20746	44.9
310.20850	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	309.2077
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03453	4.9
59.01390	4.0
59.33916	0.8
66.26263	0.6
69.21863	5.4
69.64523	0.7
71.04623	0.7
71.05024	11.9
83.05013	2.2
85.06595	2.3
96.44459	0.7
96.96021	2.2
97.06590	5.2
97.95910	0.8
98.35013	0.6
102.05515	0.6
109.06613	0.9
111.08167	1.3
125.09728	1.1
137.09732	0.9
164.71196	0.7
171.10229	0.8
181.15977	3.6
191.14449	0.8
198.72600	0.6
237.18715	0.9
247.16963	1.7
249.18718	0.9
263.20166	2.2
265.18591	1.1
265.21750	17.8
265.64426	0.7
266.22113	1.3
283.06299	0.8
291.19690	24.2
292.20001	1.8
309.13434	2.8
309.17352	5.4
309.20724	100.0
310.21094	9.4
328.69547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55371	3.3
59.01386	99.6
69.79689	15.6
71.01392	50.6
74.10384	3.2
78.95915	62.1
85.02964	5.5
89.02457	100.0
90.02753	3.8
101.02454	13.0
113.02470	10.2
119.03520	5.8
119.05033	5.1
120.95487	19.6
130.08757	90.9
131.03490	10.4
136.94984	7.4
140.94040	2.9
148.06319	8.4
149.04546	23.7
161.04567	10.5
161.94469	3.2
163.04059	12.2
172.97723	4.0
174.75264	3.4
178.96078	26.7
179.05611	4.5
224.50024	3.4
224.96718	4.2
250.03380	45.7
268.04376	25.0
269.04706	3.5
292.04474	6.9
310.12244	19.7
311.09787	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
59.01376	3.0
69.51471	1.4
69.51894	4.4
71.01386	2.5
72.99303	1.8
73.02952	6.1
75.00885	13.8
85.03004	1.1
87.00888	26.9
89.02470	2.3
89.03985	3.1
96.04050	1.0
98.21815	1.1
106.28638	0.8
117.01121	1.7
117.01958	32.6
117.03439	8.4
119.05061	8.6
129.01984	1.4
129.88506	0.9
134.03761	98.1
135.03032	23.3
135.04135	3.0
137.02458	1.5
149.06104	9.8
163.04025	9.8
165.04063	14.5
165.05370	0.7
166.04544	1.0
175.03970	1.7
178.02711	4.9
193.05080	100.0
194.05406	3.8
229.54480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96075	0.8
57.80195	0.8
59.01384	1.1
64.23280	0.6
69.52588	4.6
71.01402	1.1
72.99286	1.0
73.02959	5.8
75.00874	2.2
75.13345	0.8
87.00896	8.2
89.03980	2.5
101.02663	0.7
117.01958	15.9
117.03458	7.7
119.05054	1.1
134.03755	87.0
135.03003	10.1
135.04095	3.2
136.15018	0.7
137.02426	0.9
146.04785	0.7
146.38972	0.6
148.45158	0.8
149.06081	7.3
149.61278	0.9
178.02747	6.1
193.05072	100.0
194.05420	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59414	0.8
57.03447	1.6
59.01397	3.8
71.01376	2.7
72.99323	3.8
75.00879	35.6
77.30599	0.9
85.02962	3.6
87.00885	1.6
89.02418	1.7
93.03449	1.6
98.94859	0.7
99.00900	3.0
101.02449	0.9
119.05041	38.2
120.05370	1.9
121.02963	2.2
129.01982	9.4
134.03754	1.2
145.02956	1.8
147.03004	7.2
149.04596	1.4
163.04030	51.7
164.04352	2.2
165.04059	100.0
166.04404	3.2
193.05019	0.8
199.12546	0.8
208.98886	0.7
229.04321	0.7
229.54456	1.3
247.78716	0.8
311.07758	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84103	0.4
59.01373	2.9
61.65282	0.4
64.54765	0.5
64.65964	0.4
69.03505	4.4
71.01385	1.3
75.00890	1.9
81.86157	0.4
87.02409	0.5
89.02453	1.0
89.03985	3.7
106.04253	0.8
117.02113	0.6
117.03476	10.5
133.02960	0.5
134.03757	100.0
135.03014	9.3
135.04091	4.0
149.06100	6.7
193.05074	85.0
194.05397	5.7
208.05498	0.5
311.07855	1.6
325.20187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48181	1.7
53.78510	2.1
59.01384	6.5
69.18151	12.7
71.01383	4.3
72.99303	1.9
75.00883	29.3
81.07895	2.0
85.02983	2.0
89.02441	6.4
89.03989	3.4
93.90369	1.5
98.21802	3.6
117.01926	1.8
117.03504	11.3
134.03764	97.4
135.03021	100.0
135.04004	5.1
135.44196	1.6
136.03285	2.4
149.06071	4.3
193.05078	69.6
194.05399	3.0
229.20984	1.7
260.09805	1.5
311.14093	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	311.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.9
62.89645	1.0
66.79133	0.9
69.16763	5.6
70.50676	0.8
71.01374	3.1
72.99297	1.5
73.02935	1.4
75.00887	10.8
79.29945	0.7
86.39947	0.9
87.00892	2.4
87.02397	0.9
89.02455	2.6
89.03990	2.7
109.02968	1.7
111.00887	1.8
117.01940	4.7
117.03474	10.7
119.05039	6.9
134.03760	100.0
135.03024	26.1
135.04036	2.8
139.01967	0.7
147.03036	1.2
149.06059	7.3
163.04022	7.9
165.04094	6.5
174.56245	0.8
177.05687	1.5
178.02684	0.9
193.05080	92.3
194.05383	4.3
221.04630	3.9
225.64964	0.8
311.07797	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	311.0929
Annotation	CHEMBL1945702
Peak:m/z	Relative Intensity
54.17683	1.4
59.01390	2.1
69.00970	4.3
69.01379	10.5
71.01356	1.6
89.02454	1.9
98.68320	1.3
125.72976	1.3
136.01671	2.5
151.03993	3.5
181.06546	5.1
197.06021	6.0
208.05229	2.1
209.06142	11.4
224.04865	4.7
225.05577	14.4
235.03874	1.5
236.04785	3.2
237.05559	12.0
238.06453	2.6
240.07880	7.2
252.04456	3.5
253.05093	94.9
254.05418	6.5
264.04349	2.6
265.05084	39.4
266.05798	10.9
267.06494	3.2
268.07358	9.8
279.06677	4.4
280.07422	28.0
281.04602	100.0
281.07831	7.3
282.04919	7.9
295.06158	20.0
296.06921	63.7
296.09665	1.2
297.07330	5.6
311.09271	54.7
312.09653	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	311.0986
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.80503	0.9
55.01889	1.1
58.00588	3.2
59.01384	82.3
69.03461	0.9
69.06279	4.8
69.06696	3.4
71.01388	56.0
72.99312	2.6
73.02948	4.0
75.00873	2.7
83.01414	1.0
85.02938	6.4
87.00913	1.7
89.02455	100.0
90.02801	1.3
95.01414	1.2
98.22467	1.9
101.02451	12.2
113.02475	9.4
119.03507	6.4
131.03511	13.0
149.04567	27.5
149.05714	1.7
159.02972	1.1
161.04578	11.1
251.07660	2.4
311.09879	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26082	0.7
50.36948	0.8
53.79796	0.8
56.14486	0.7
58.00584	1.5
58.06117	0.9
58.38994	0.8
59.01387	71.9
62.25010	0.8
71.01392	48.5
71.02596	1.6
72.99322	2.8
73.02956	3.9
75.00898	1.5
83.01435	1.0
85.02952	4.5
87.00892	1.1
89.02456	100.0
90.02799	1.4
101.02440	8.1
113.02455	6.2
119.03532	1.7
119.05010	2.2
120.57958	0.9
126.98824	1.5
131.03532	10.2
149.04581	32.9
150.04918	1.2
156.99951	2.0
161.04584	9.8
163.04095	2.6
207.42274	0.9
251.07721	2.6
311.09921	23.4
312.10260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02087	0.2
52.81545	0.2
55.01883	0.5
56.99838	0.2
57.03444	0.5
58.00599	3.4
59.01385	72.2
60.01728	0.8
63.72216	0.2
67.30600	0.1
69.03472	0.2
69.55383	0.3
69.55790	0.7
71.01389	53.3
72.01725	0.5
72.99319	2.6
73.02959	3.2
75.00871	0.6
83.01412	0.8
84.49837	0.1
85.02960	4.9
87.00886	1.1
89.02454	100.0
90.02801	1.5
91.04430	0.2
95.01418	0.3
96.81351	0.2
98.22431	0.3
99.00914	0.6
101.02454	7.5
102.02809	0.3
113.02463	7.0
114.02820	0.2
116.05794	0.2
117.01959	0.3
119.03516	2.9
119.04961	0.2
131.03520	11.3
132.03854	0.4
143.03464	0.3
149.04573	29.8
150.04895	0.9
159.03038	0.6
161.04576	10.2
162.04951	0.3
163.03998	0.6
179.05717	0.3
192.88306	0.2
197.42178	0.2
221.06743	0.9
251.07768	2.4
311.09875	21.0
312.10089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0989
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.35733	22.4
59.01384	92.3
59.15547	19.1
62.15813	18.1
63.14408	16.7
69.56641	100.0
71.01380	79.4
71.93623	18.0
89.02463	80.2
92.00606	17.0
98.22569	23.8
101.02440	56.2
131.03438	22.1
131.83289	19.9
149.02477	29.7
149.04514	32.4
184.47061	19.3
191.05591	31.7
267.06693	22.4
296.06787	23.6
311.09265	78.4
311.22052	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
56.82315	0.8
59.01387	100.0
71.01390	8.6
71.27245	1.3
73.02969	2.1
85.02960	2.4
89.02437	2.7
93.33806	1.0
96.96045	2.9
99.00948	0.9
101.02438	7.3
105.01881	1.0
107.01411	1.3
113.02479	2.1
117.03488	2.5
121.02921	0.8
134.03766	22.6
135.03047	1.7
149.06174	1.3
161.04611	3.6
166.02707	3.9
187.03960	1.0
193.05074	21.4
194.05492	1.3
214.28693	1.0
269.10306	2.7
311.07489	1.0
319.52951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1868
Annotation	Methynolide
Peak:m/z	Relative Intensity
59.01390	3.8
69.20403	4.0
69.20826	1.4
71.01394	1.2
71.98666	0.8
78.87568	0.7
80.41942	0.5
85.47942	0.6
86.47038	0.6
89.02473	0.6
98.22514	1.2
105.89783	0.6
154.90001	0.6
178.69359	0.8
194.34404	0.7
249.18634	2.5
267.19684	84.3
268.20035	6.6
293.17633	5.9
311.18674	100.0
312.19061	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	311.1869
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
56.88322	0.5
61.98748	0.6
70.74209	0.7
70.74527	0.8
97.06476	0.8
99.08105	0.6
119.94605	0.8
121.02853	1.8
122.03681	1.3
136.05215	0.6
152.01175	0.5
161.02588	0.5
167.14268	1.8
168.04262	0.9
184.29922	0.6
188.37325	0.5
193.15944	0.8
193.53258	0.6
201.11266	0.6
223.20625	2.6
249.18584	4.6
267.19684	100.0
268.20050	7.7
275.16583	8.0
293.17633	38.0
293.20880	1.3
294.17899	3.1
311.18759	28.5
311.22333	5.8
312.19025	2.3
312.22452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1869
Annotation	Methynolide
Peak:m/z	Relative Intensity
52.13315	0.5
53.19897	0.5
57.03461	0.6
59.01386	78.4
60.01727	1.1
67.33115	0.5
69.03479	2.0
69.60886	1.5
69.61280	1.1
71.01389	0.7
71.43208	0.5
116.85818	0.7
124.77195	0.6
129.60342	0.5
139.31209	0.6
149.28540	0.5
154.76762	0.6
162.92606	0.6
170.86241	0.6
191.14444	6.9
204.08406	0.6
207.17593	2.4
225.18683	1.0
233.15498	10.7
245.03452	0.6
251.16557	28.0
252.16940	2.2
293.17731	2.9
311.18689	100.0
312.19046	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	311.1868
Annotation	Methynolide
Peak:m/z	Relative Intensity
57.03435	0.8
59.01387	34.4
60.99300	2.2
69.79691	3.2
89.02431	0.6
104.09851	0.7
104.75003	0.6
112.46432	0.8
115.17823	0.7
133.31175	0.6
139.11238	1.0
191.14363	3.2
205.15950	0.9
207.17615	2.3
223.93593	0.6
233.15460	5.8
249.18629	2.0
251.16537	14.9
252.16837	1.0
258.88519	0.8
265.17935	1.3
269.35773	0.7
282.66995	0.8
293.17706	1.6
293.21008	0.8
311.18686	100.0
311.21933	5.2
312.19043	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.27605	0.5
57.03450	0.6
61.98836	1.0
64.52682	0.6
64.54652	0.5
67.92252	0.6
69.84692	2.3
76.37917	0.6
95.79710	0.6
127.11321	1.4
129.09247	1.6
135.11177	0.7
153.12836	3.5
169.12321	2.1
181.12360	10.5
197.11865	0.9
199.13435	1.3
228.13683	1.4
249.22273	0.6
265.21613	1.0
267.23328	1.3
283.22562	0.6
293.21353	6.4
294.21283	0.5
311.22314	100.0
312.22641	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01379	2.3
60.28362	2.1
61.98820	3.2
69.22878	5.6
69.23280	14.9
71.79666	2.5
100.21342	2.4
101.74397	2.6
102.14904	2.1
105.08403	2.4
109.47282	2.3
116.92960	2.7
119.94743	3.0
155.10797	3.3
215.97830	2.3
231.71552	2.2
265.21780	5.9
293.19382	4.3
302.97989	2.5
311.16876	4.5
311.22321	100.0
312.22635	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03444	2.5
58.00597	7.9
59.01371	5.2
60.45139	1.8
61.98831	2.6
68.22698	1.7
71.28355	3.9
73.02943	2.6
80.67713	1.9
84.39293	2.0
92.96577	1.8
97.03004	2.0
109.06576	1.9
127.07658	8.9
138.03625	1.7
171.10268	4.5
172.10580	2.3
175.36070	2.0
183.13908	25.3
195.13850	2.7
200.40773	1.8
201.11398	4.0
213.14967	5.4
241.14493	6.3
275.19919	2.2
280.61130	1.9
293.21198	13.5
311.22275	100.0
312.22620	6.3
329.10425	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.38786	0.4
57.03456	0.4
66.86092	0.5
70.32014	0.9
70.32405	0.7
79.81441	0.5
83.05022	0.5
85.23942	0.4
97.06579	0.7
98.22422	0.6
99.08156	0.6
113.09713	1.2
114.04114	0.4
115.07658	1.2
127.07663	0.6
128.08440	0.5
139.11293	0.6
157.08746	0.5
167.14435	4.6
167.23888	0.4
183.13939	3.0
190.57700	0.5
195.13904	10.2
211.13397	1.3
213.14996	1.7
241.14523	0.8
242.15288	0.7
249.22260	0.7
265.21841	1.3
267.23441	0.6
275.20166	1.0
281.21375	0.5
293.21298	8.2
294.21622	0.6
309.21024	0.5
311.22305	100.0
311.94510	0.6
312.22659	9.5
329.02878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.46107	0.8
57.03445	1.6
59.01394	0.8
61.98821	1.6
69.20231	6.2
77.98952	0.7
97.06636	1.0
98.22465	1.3
123.08190	0.8
125.06084	0.9
125.09717	3.6
141.09204	1.5
141.12766	1.4
143.10803	1.0
148.05319	5.2
149.05785	0.7
153.09187	1.2
155.14426	1.6
157.12450	1.2
167.10780	1.4
171.10341	3.4
180.04301	12.9
181.01384	1.1
181.04620	3.0
182.04839	2.0
200.10558	2.9
249.22301	2.7
265.21793	1.1
267.23264	1.6
268.23730	0.7
275.19962	0.9
293.21344	8.8
294.21432	1.3
311.22308	100.0
312.22598	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	311.2232
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.59235	0.5
57.03450	1.2
58.00599	9.0
59.01337	0.6
61.98819	0.6
69.59196	3.3
73.02946	1.5
83.05021	0.6
96.50095	0.6
98.22470	0.9
109.06611	0.6
121.10214	1.4
125.09736	5.0
127.07667	4.2
127.11319	8.7
137.09729	1.9
139.11278	1.3
155.10796	3.4
165.09187	2.8
171.10298	11.7
183.10309	1.5
183.13914	14.7
195.13864	1.0
199.09750	2.3
201.11351	59.7
202.11627	2.9
202.73837	0.7
211.16240	0.7
213.14906	3.3
223.13353	1.3
241.14470	4.1
256.13205	0.8
275.20181	5.9
293.21234	8.5
311.22305	100.0
312.22672	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	311.2232
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
51.18473	0.8
53.66173	0.7
57.03440	1.3
63.22321	0.8
64.11789	0.8
69.03506	1.0
69.39182	0.7
70.83319	1.3
70.83654	1.1
71.05041	0.9
71.51453	0.7
97.06594	0.9
98.61300	0.9
101.55676	0.8
102.01917	0.8
108.84132	0.9
113.09723	1.3
121.10213	1.3
125.09734	3.0
127.11285	1.1
139.11322	8.3
155.10918	1.1
163.11336	4.5
165.12901	1.4
167.10806	1.6
168.11551	2.1
171.10295	22.0
172.10550	1.0
185.11894	2.4
195.14058	0.8
201.11327	4.1
215.53122	0.8
246.10579	0.9
246.68785	0.8
249.22354	5.3
270.33755	0.9
293.21271	85.7
294.21680	6.2
311.22314	100.0
312.22699	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	311.2232
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.87461	1.2
51.85208	1.2
57.03451	2.2
59.01389	1.5
59.39827	1.3
70.40172	1.4
70.40517	3.6
80.17056	1.1
80.66274	1.1
91.54166	1.2
97.06585	1.7
98.23862	1.1
99.08170	1.7
103.02204	1.1
113.09744	2.9
121.10262	2.9
125.09750	3.1
127.11338	3.1
129.09225	3.0
139.11298	14.1
153.09282	1.2
155.10786	2.6
169.12413	1.5
171.10291	64.0
172.10686	1.7
172.94089	1.4
181.12321	2.2
183.10323	4.6
184.60574	1.3
185.11835	13.4
193.12296	3.9
197.11848	3.5
199.13380	1.6
201.11369	8.8
211.13411	9.5
275.20306	5.8
293.21243	27.8
294.21597	3.7
311.22311	100.0
312.19370	1.3
312.22614	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	311.2233
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.01971	1.0
57.03443	1.7
70.46249	2.6
71.01421	1.1
77.49877	1.2
87.23543	1.1
87.83343	1.0
92.92846	0.9
121.10275	1.9
125.09731	3.8
127.11311	7.5
137.09727	2.2
139.11307	17.9
141.12802	1.2
141.29182	1.1
155.10785	4.1
165.09259	1.5
171.10301	90.8
172.10612	2.8
183.10272	6.6
185.11835	11.5
187.28703	1.2
201.11348	16.1
211.13512	1.2
275.20135	6.3
293.21274	19.1
294.21606	1.5
311.22308	100.0
312.22598	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	311.2233
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03445	1.1
57.20530	0.4
58.00606	8.6
59.01377	1.0
60.24773	0.4
60.95870	0.4
61.80814	0.6
61.98838	0.6
69.96623	1.8
71.05018	0.7
73.02951	2.1
73.96074	0.4
76.08590	0.5
97.06593	0.8
109.06606	1.5
109.66438	0.5
111.02312	0.5
119.94723	0.5
121.10217	0.9
122.63739	0.5
125.09738	4.5
126.80388	0.4
127.07644	4.5
127.11303	7.6
128.11644	0.4
137.09796	1.1
139.11317	1.0
155.10742	2.7
157.12309	1.2
165.09225	2.7
171.10272	8.2
173.08165	0.7
183.10341	0.8
183.13925	19.1
184.14243	1.0
195.13908	1.3
199.09720	2.3
201.11349	52.5
202.11703	2.6
211.13503	0.9
211.16183	0.8
213.15007	4.5
223.13402	1.1
223.16983	0.6
225.14949	1.0
231.21223	0.5
241.14496	4.8
265.28116	0.5
275.20181	5.4
293.21252	9.6
294.21521	1.1
311.22318	100.0
312.22650	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	311.2231
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.16210	0.6
57.03450	1.4
57.85290	0.7
59.01380	1.8
69.03459	1.3
69.80920	2.9
81.03471	0.8
81.96803	0.8
83.05028	2.0
97.02956	2.7
97.06594	2.1
99.08162	2.7
111.08145	0.9
113.09743	4.7
121.10290	3.8
125.09733	2.8
127.11300	2.6
137.09727	1.0
139.11311	8.4
143.07159	1.8
155.10846	0.9
162.10075	0.8
163.11290	1.1
165.12833	1.4
171.10283	38.7
172.10606	1.4
175.11197	1.2
183.10294	1.4
185.11873	3.0
193.12349	14.9
194.12892	0.7
199.09758	0.7
201.11360	1.8
206.94394	0.8
209.11981	1.1
211.13419	7.8
226.32637	0.7
249.22131	0.9
275.20123	2.4
286.52325	0.8
293.21259	27.0
294.21463	2.1
311.22305	100.0
312.22693	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	312.0066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74308	0.6
58.49212	0.6
59.01374	3.0
61.98832	2.6
63.11649	0.6
65.05783	0.6
69.09766	0.6
71.01383	1.2
79.56793	0.6
83.05827	0.7
87.01949	0.7
99.98903	1.6
114.00139	0.6
117.00455	3.6
125.98447	0.8
126.00485	4.7
126.98195	1.4
128.97943	1.1
138.63034	0.6
140.02075	1.2
141.99980	64.3
143.00052	3.8
149.31496	0.6
154.93369	0.8
159.01454	1.3
166.99571	0.7
167.99681	1.4
168.91560	0.9
168.99286	2.3
169.89494	0.8
169.99477	100.0
170.97849	9.8
170.99239	6.0
171.01527	4.0
184.01045	23.5
185.01193	2.2
209.14172	0.6
251.26036	0.6
257.97693	1.1
259.01584	1.7
265.91223	0.7
312.00742	1.7
312.98944	0.8
313.02600	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	312.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	45.1
71.01382	53.3
75.00861	55.4
83.99057	20.3
85.02966	31.4
118.03922	22.4
119.05027	29.7
120.05372	28.1
121.02996	24.9
134.03720	80.0
135.04091	100.0
151.03993	27.5
164.04431	30.5
165.04085	91.7
166.04390	33.5
171.65373	20.4
172.01637	23.2
193.05193	28.2
194.05360	89.9
198.21582	23.5
201.01366	24.4
217.64044	21.5
253.04527	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0721
Annotation	Sylpin
Peak:m/z	Relative Intensity
51.34303	0.3
53.45047	0.3
59.01384	0.6
70.56946	1.0
71.30849	0.3
77.04001	0.3
107.65571	0.3
110.88527	0.3
121.02971	100.0
122.03307	3.6
132.30156	0.3
177.69681	0.3
180.05800	1.5
181.06606	4.0
225.05614	6.5
226.05905	0.6
313.07220	11.4
313.20166	0.6
313.23795	0.9
314.07568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0936
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
59.01379	20.2
64.44326	7.5
67.13631	7.6
69.04240	18.0
69.04649	61.2
71.01398	55.5
71.37998	7.5
77.51788	7.8
81.94548	8.3
85.02970	27.7
89.02470	12.9
101.02441	17.3
107.05038	83.4
109.02988	8.5
113.02468	12.9
114.05632	20.1
151.04036	100.0
153.01987	10.0
203.10771	8.7
253.89948	8.2
295.57660	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24889	2.3
59.01383	37.1
69.35503	18.8
71.01051	2.7
71.01389	41.1
72.65718	2.5
72.99292	4.1
73.02932	10.3
73.98733	2.4
75.00860	10.1
83.01373	3.3
84.04581	2.5
85.02963	16.3
87.00880	6.5
89.02446	16.0
93.03469	43.4
99.00872	5.1
100.96883	2.7
101.02444	27.5
107.05060	14.1
109.02937	4.5
111.00816	2.4
113.02457	13.5
119.03487	9.4
121.02934	9.0
123.04501	8.4
126.24370	2.8
133.02957	5.1
134.03709	3.2
135.03012	2.9
135.04547	5.7
149.02411	14.4
151.04024	61.9
151.05998	3.1
161.04515	10.5
163.03967	3.5
179.05608	6.3
219.72342	2.8
313.09210	100.0
314.09354	9.1
314.16913	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	313.1084
Annotation	p-Hydroxyphenethyl trans-ferulate
Peak:m/z	Relative Intensity
54.41241	0.4
62.51664	0.5
70.10432	0.4
71.27319	0.9
73.01802	0.4
91.05537	0.6
101.03989	1.0
103.05560	0.8
103.91407	0.4
105.03504	0.6
107.05064	1.0
108.02194	0.5
119.05058	8.2
121.02997	0.7
129.03494	10.1
129.61594	0.5
130.04265	1.6
131.05011	0.5
132.02191	0.7
133.02995	3.7
134.03761	78.0
135.04485	3.4
145.02982	6.3
146.03777	4.8
147.04546	54.7
148.04883	2.5
149.06104	100.0
150.03188	0.5
150.06439	3.4
151.04050	0.9
158.03781	0.4
163.04041	9.1
164.04822	31.3
165.05595	28.2
165.07047	0.8
166.05940	1.4
217.27020	0.4
295.09717	0.9
313.10870	13.3
314.11145	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	313.1085
Annotation	Leridol
Peak:m/z	Relative Intensity
54.13378	1.0
68.97825	10.8
70.47411	1.1
71.33788	1.2
73.08192	0.9
93.03458	2.4
93.56212	1.0
108.02187	5.0
109.02943	3.2
116.74223	1.0
117.03457	1.5
121.02961	13.3
123.04530	2.4
131.05055	1.9
134.03725	3.0
135.04558	2.1
143.05034	1.3
145.02989	3.1
146.03760	3.1
147.04512	4.1
149.06059	1.9
158.03748	75.7
159.04524	11.8
171.04533	3.5
174.03204	1.2
175.03966	2.8
176.04823	13.0
177.05583	2.6
189.05630	5.9
190.02736	1.7
207.08186	1.3
208.03687	5.7
209.06110	2.6
223.07898	4.9
233.05936	1.9
234.06807	1.4
235.07541	2.2
237.05537	2.9
239.43359	1.1
251.07179	8.2
252.07986	2.5
253.08664	1.5
255.06578	6.1
261.05588	2.3
262.06354	3.2
263.07123	8.4
264.07840	2.5
264.13486	1.0
265.05182	1.9
267.06659	2.0
268.07422	11.7
269.08148	6.3
277.08585	1.3
279.06650	10.7
280.07428	71.0
281.07822	8.1
283.09811	18.9
295.09784	100.0
296.10059	8.0
297.07681	5.9
298.08411	11.1
313.10843	33.0
314.11057	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	313.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.8
59.01384	40.8
73.02976	1.6
98.22681	2.1
109.64581	1.3
121.02945	1.5
134.06091	6.3
152.07198	3.6
171.10303	3.1
179.14420	47.4
180.14857	2.5
191.14372	2.3
205.16006	6.1
207.17598	10.8
207.35857	1.5
209.15511	3.2
223.13350	10.2
223.16931	1.5
225.18622	11.1
251.16571	22.9
252.16898	2.1
253.14403	3.0
263.52075	1.4
269.17593	15.9
285.29474	1.3
295.15533	37.6
296.15839	1.9
313.03711	2.6
313.16599	100.0
313.19913	3.9
314.16898	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	313.1661
Annotation	Resiquimod
Peak:m/z	Relative Intensity
57.03455	2.0
59.01097	1.4
59.01386	25.4
71.01375	1.7
95.18580	1.0
97.06599	3.6
112.01643	2.2
155.07144	2.7
157.08676	2.0
169.12372	2.0
191.14420	14.3
197.11859	1.2
205.15999	2.8
207.17555	11.5
208.17955	1.6
209.11752	1.5
213.66660	1.0
225.18610	15.3
235.13518	1.2
251.16553	39.9
252.16922	3.9
253.14462	5.2
269.17618	5.6
295.15463	9.3
296.15939	1.4
313.16623	100.0
313.20135	9.9
314.17010	8.3
338.89938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.166
Annotation	Resiquimod
Peak:m/z	Relative Intensity
57.03455	2.0
59.01385	72.1
61.10061	1.0
65.52079	0.9
69.02715	2.4
69.03122	6.5
84.02172	2.3
97.02979	1.5
97.06602	3.2
98.21711	2.0
101.94382	0.9
109.06602	5.3
111.08183	1.0
113.14829	1.1
125.06139	1.4
126.54705	1.0
130.08740	0.9
143.07167	9.3
155.10820	1.5
182.08240	1.3
183.10320	5.0
190.07135	0.9
191.14449	14.0
197.11810	2.6
198.03453	1.0
200.44481	0.9
209.15479	19.3
210.15756	1.1
215.12950	2.1
223.67989	1.0
227.16515	3.8
241.01346	1.5
242.02171	1.2
251.16518	18.6
252.16862	2.1
253.14455	12.6
263.16342	1.3
269.17584	5.6
270.01794	3.8
285.04184	2.3
295.15399	1.7
313.03549	8.4
313.16602	100.0
313.20233	25.3
314.04099	2.3
314.16931	7.9
314.20410	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
57.73959	0.5
59.01376	2.4
63.02408	1.2
69.03431	1.6
69.25653	4.7
71.01394	1.1
78.39886	0.6
81.03435	1.1
83.05042	9.6
85.02953	4.2
95.05032	1.3
97.02984	0.6
97.06588	1.1
98.22546	1.2
115.06784	0.6
117.03464	1.6
123.08174	0.8
125.09766	2.0
127.11308	2.7
135.20500	0.6
136.78369	0.6
141.09253	1.0
141.57356	0.5
155.14420	0.9
165.12805	2.0
167.14412	1.4
171.10271	7.4
174.75114	0.5
177.12791	1.3
181.12431	0.7
183.13898	5.8
185.11858	0.9
189.13351	0.6
193.12328	2.2
197.11815	1.0
199.13362	0.8
209.11829	2.0
211.13417	31.3
212.13741	1.4
221.11900	3.6
227.12982	0.7
229.14473	20.4
230.14639	1.0
239.12907	3.0
269.04605	8.3
270.05057	0.6
277.18103	3.6
295.19131	0.9
313.03510	1.5
313.20236	100.0
314.20581	9.1
314.26694	0.5
324.90878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	2.6
59.01384	1.3
61.98820	1.1
70.80505	1.0
70.80840	0.6
72.92799	0.7
85.49786	0.5
97.06595	1.4
99.08173	18.7
100.08525	0.8
111.08192	0.7
120.76103	0.6
127.07656	2.8
129.09241	21.2
142.95396	0.6
183.13933	38.3
184.14258	2.2
195.13931	3.4
210.43524	0.5
277.21692	3.1
295.22815	10.1
313.23874	100.0
314.24231	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	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40773	0.6
57.03441	0.9
58.00587	2.0
59.01394	0.6
61.98843	1.1
70.74548	0.9
70.74907	1.3
73.02940	1.0
97.06589	0.6
125.09740	6.0
127.11320	10.0
137.09717	1.5
139.11285	1.5
155.10812	2.6
157.12387	0.6
165.09247	2.9
168.46570	0.6
171.10304	7.6
183.10281	1.1
199.09720	2.9
201.11346	55.7
202.11601	2.8
277.21707	6.3
295.22797	5.0
296.23315	0.7
300.75226	0.6
313.23880	100.0
314.24225	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	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	3.5
59.01369	0.9
61.98826	2.1
70.71027	1.4
92.49864	0.6
94.46889	0.5
94.92555	0.7
97.06582	1.6
99.08170	22.1
113.09711	0.8
127.07679	3.2
129.09239	24.2
130.09557	0.8
168.91422	0.7
169.15375	0.5
170.88380	1.4
183.13924	36.9
184.14287	2.0
195.13942	4.4
207.10056	1.2
213.14992	0.9
255.86185	0.7
256.58640	0.7
277.21790	5.0
288.51602	0.6
295.22827	11.8
296.23029	1.4
313.23865	100.0
314.24234	10.2
337.46121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36715	0.3
53.73858	0.4
61.04771	0.3
71.05018	1.7
74.70226	0.4
80.02682	0.4
83.05044	1.2
84.02202	0.5
92.87661	0.3
98.33007	0.3
113.09744	2.0
114.20813	0.4
125.09736	2.1
127.11316	3.0
139.11311	0.4
141.12875	1.7
142.94304	0.3
151.11340	0.4
155.14488	0.9
171.10286	3.3
183.13986	0.9
194.44618	0.4
201.11360	1.1
249.22275	0.5
251.23831	1.3
293.21210	1.4
295.22733	2.7
296.23114	0.5
311.22424	1.0
313.23883	100.0
314.24216	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	313.2389
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.03446	0.8
57.54099	0.7
69.04674	1.4
69.05083	4.8
76.69418	0.6
105.72757	0.7
113.68794	0.6
116.56670	0.7
124.65830	0.6
154.52391	0.7
155.14438	1.1
183.36861	0.7
184.01494	0.7
185.00781	1.6
203.46078	0.6
223.20642	0.8
249.22238	1.2
251.23831	63.1
252.24155	5.4
267.23410	0.8
269.24866	2.1
295.22836	24.1
296.23218	2.5
313.16370	3.8
313.23889	100.0
314.24298	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.87496	0.5
69.91762	2.4
71.01384	2.1
74.18182	0.6
79.52906	0.6
80.04623	0.6
81.03469	1.0
85.02946	1.6
93.03472	0.9
94.98019	0.5
95.01394	1.3
101.02461	0.9
101.54597	0.5
108.02187	100.0
109.02991	27.0
110.03288	1.0
113.02470	0.8
121.02969	1.0
123.04528	0.7
141.02875	0.6
151.04015	1.5
152.01169	61.8
153.01962	23.4
154.02330	1.3
155.72635	0.6
159.58150	0.6
163.04036	1.6
165.01859	1.4
195.02951	0.6
220.40994	0.6
225.03996	0.8
315.07254	62.5
316.07632	3.9
317.04620	0.6
321.87405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0727
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.36183	0.3
59.01357	0.4
69.49767	0.3
70.67817	0.9
71.01398	2.1
73.02946	0.8
81.03452	1.2
81.24999	0.4
83.01442	0.5
85.02972	2.1
85.29156	0.3
91.32114	0.3
95.01388	1.3
101.02457	0.9
108.02193	100.0
109.02989	36.5
110.03299	1.0
113.02451	1.2
121.02984	1.1
123.00886	1.2
123.04542	0.7
133.02994	0.5
133.64699	0.3
134.03787	0.4
135.04543	0.8
151.00444	0.4
151.04039	1.5
152.01180	67.2
153.01968	33.0
154.02284	1.2
158.69901	0.3
163.03993	1.6
165.01968	1.3
166.02319	0.3
182.95563	0.4
195.03009	0.4
203.94740	0.3
207.02953	0.4
225.04039	0.4
315.07263	76.5
316.07651	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	315.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.5
65.00344	1.0
68.42467	0.4
70.24334	0.8
71.01382	1.0
71.03179	0.5
75.00876	1.9
78.01122	0.6
78.80769	0.5
83.01425	1.0
84.64468	0.5
89.00329	3.5
89.02465	0.5
91.01915	1.8
92.99835	0.5
106.00614	3.8
111.00909	1.1
116.92893	1.4
121.02968	61.9
122.03323	2.3
123.00916	1.6
127.00422	1.5
130.08717	0.6
134.03761	0.7
135.03014	5.9
136.98810	1.5
137.02495	0.6
138.03220	2.3
139.00410	2.1
149.06163	0.6
153.01962	1.0
153.05591	39.5
154.01532	1.0
154.05904	1.8
182.02292	0.9
197.04568	100.0
198.04932	5.4
286.17523	0.5
315.07285	1.2
316.18698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64494	1.3
55.01881	5.8
57.03455	3.4
58.00609	2.5
59.01386	40.8
69.31828	9.4
71.01389	100.0
72.01734	2.9
72.99323	3.8
73.02953	23.7
74.47416	1.6
75.00897	1.7
83.01406	12.4
85.02959	42.0
87.00899	3.0
89.01943	2.9
89.02454	25.5
94.70589	1.5
95.01410	5.7
99.00889	13.8
101.02451	53.0
113.02456	40.7
119.03509	7.3
121.05459	1.6
125.02488	1.6
139.11444	1.4
143.03516	2.2
159.03018	6.3
161.04581	15.8
205.03427	2.2
219.77876	1.6
222.80659	1.4
256.94171	1.6
284.03217	8.7
285.03851	2.1
303.72299	1.7
315.05069	4.1
315.18079	1.8
315.21768	3.9
325.72620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70939	0.9
57.03440	1.1
58.25811	0.8
59.01366	1.2
61.63452	0.9
74.54393	0.9
75.21161	0.8
83.05016	1.7
85.06586	6.1
91.16077	1.1
125.09711	2.6
127.11316	1.9
165.69481	0.9
171.10275	6.0
183.13918	7.0
193.12312	1.9
194.99138	1.1
209.11774	1.1
211.13406	32.8
212.13763	1.9
229.14470	18.5
233.61510	1.0
271.10852	2.1
298.28943	1.0
315.21793	100.0
316.22195	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	316.188
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
50.26550	0.8
51.79223	0.8
52.91764	0.7
54.79233	0.8
54.96564	0.8
69.24118	3.5
69.24544	3.4
71.02513	0.9
73.04077	9.7
80.13242	0.8
82.06626	1.9
83.02538	1.3
84.08196	1.2
89.02475	0.9
103.05135	1.8
115.08789	2.1
116.07193	37.9
116.92850	3.0
117.07520	1.2
125.07233	2.6
126.05602	4.8
126.31885	0.8
127.08791	1.7
129.10344	2.3
130.08757	83.6
131.09113	1.7
139.08804	1.4
140.07219	2.3
141.10345	1.6
143.11906	1.0
148.75586	0.8
154.01512	1.6
155.08240	5.2
157.07726	1.0
167.08260	1.7
168.13896	2.0
169.09818	3.7
172.10944	1.3
185.09331	6.6
185.16605	60.2
186.16992	3.3
195.15007	1.5
199.10976	4.6
229.15627	3.2
231.12236	1.2
242.18773	22.8
243.19193	1.4
286.17767	21.4
287.18109	1.4
297.04620	1.0
298.17764	3.8
316.18793	100.0
317.19232	7.4
335.44821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37801	0.5
51.62107	0.5
59.01379	1.4
70.55956	0.5
70.67351	1.3
70.84263	0.5
73.04079	1.7
74.02483	4.5
88.43033	0.5
96.00924	1.2
99.66651	0.4
111.00890	2.3
114.02048	0.7
116.03623	0.5
120.99696	0.9
128.03540	0.7
138.05646	0.7
139.00375	6.5
140.01172	90.5
141.01469	2.5
143.11935	2.1
153.01944	1.3
154.02702	1.0
155.03522	100.0
156.03836	3.8
159.85823	0.6
169.09814	0.6
199.10939	0.8
200.14043	1.3
244.13066	1.0
274.14069	3.2
282.90189	0.5
287.18216	1.0
299.14560	0.9
317.08862	5.1
317.15515	0.8
317.18820	0.9
318.16855	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	317.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77432	0.7
53.05691	0.5
57.30194	0.6
59.01384	2.4
69.30659	2.9
69.31066	1.1
69.36674	0.6
71.01393	2.0
73.03004	0.7
74.02500	1.2
74.57420	0.7
78.95893	0.6
83.01411	0.8
85.02958	1.4
88.04064	0.8
89.63814	0.6
90.97169	0.7
95.01386	0.8
108.02197	2.3
109.02993	0.7
111.00881	7.8
123.00908	1.0
130.08781	1.7
133.01556	1.0
139.00392	38.0
140.01180	88.3
141.01534	2.4
150.04237	3.5
152.01161	1.0
153.01944	7.3
154.02747	16.5
155.03529	100.0
156.03883	3.5
157.07776	0.7
159.01546	1.0
179.03409	0.6
182.02226	0.8
192.39784	0.6
197.04559	1.1
246.06644	0.9
258.03165	0.8
262.15765	0.7
267.25586	0.6
282.08499	1.8
317.08594	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	319.0803
Annotation	Flustramine E
Peak:m/z	Relative Intensity
60.76746	16.8
65.74137	17.3
69.29533	100.0
69.29934	39.0
71.01401	21.4
76.38303	14.9
81.62387	18.1
97.96469	18.3
101.02465	21.1
126.12506	16.5
130.20293	15.3
180.35696	16.3
190.58820	19.3
283.10532	84.3
319.07990	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89637	1.1
59.01382	10.2
71.01396	6.8
71.27133	1.5
72.36909	1.2
81.19274	1.2
85.02964	1.8
89.02459	2.4
96.95995	1.4
98.92238	1.4
100.37886	1.1
101.02452	1.7
110.02431	1.1
112.04057	12.8
119.05059	1.4
120.04583	2.4
121.05350	3.3
122.06126	5.0
123.03275	19.8
124.04064	15.8
126.04783	1.5
136.07698	41.5
136.62190	1.4
137.06116	2.4
137.08040	1.1
138.05629	100.0
139.05937	5.3
140.07185	4.8
150.05666	1.6
166.05139	1.4
182.04633	10.1
183.05333	7.7
184.06178	25.6
214.12424	1.3
215.04381	2.9
242.10661	1.9
255.57816	1.4
257.13074	8.2
257.33713	1.4
319.13113	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	319.14
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01878	2.3
57.03447	2.2
58.00587	3.4
59.01386	100.0
66.54394	0.8
71.01390	62.8
71.27068	1.5
72.01736	0.9
72.99306	5.5
73.02956	2.4
83.01399	4.0
85.02968	11.6
87.00893	3.3
89.02457	63.0
90.02812	1.4
95.01385	4.7
99.00906	1.1
101.02455	38.4
107.21532	0.9
113.02470	20.1
115.00359	1.0
116.07158	1.0
119.03519	34.8
131.03549	2.7
139.07681	2.9
143.03537	3.2
147.98994	0.8
149.04558	1.8
157.08731	4.0
159.10275	1.0
161.04590	2.5
179.05623	2.1
196.67201	0.9
201.11331	4.8
213.17990	0.9
228.35448	0.8
257.12970	1.7
268.94159	1.0
310.36801	0.9
319.14029	37.1
319.17328	1.2
319.27496	1.1
320.14093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01889	7.0
57.03448	5.6
58.00596	3.4
58.74953	1.2
59.01385	100.0
69.03467	2.3
71.01389	85.3
71.05025	2.0
71.27991	1.4
72.99311	5.0
73.02953	18.6
75.00897	1.6
82.02970	1.9
83.01401	12.1
83.05022	1.3
85.02956	33.1
87.00886	4.3
89.01902	2.4
89.02453	49.8
89.83770	1.4
93.03484	3.0
95.01400	5.2
98.02505	4.2
99.00906	6.1
101.02455	58.3
111.04540	3.5
113.02470	32.4
118.06676	4.4
119.03516	23.7
131.03485	1.7
135.02989	1.5
139.07715	2.7
143.03499	2.9
145.53197	1.3
149.04579	1.9
151.43756	1.3
157.08711	12.1
159.03011	4.5
161.04556	15.3
164.07179	2.3
172.10953	2.0
179.05666	3.5
201.07803	2.7
201.11369	5.1
222.09259	2.1
257.13150	1.6
275.14838	6.2
301.12039	1.9
319.09839	2.5
319.13983	53.2
320.11206	8.4
320.14609	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	319.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90851	1.0
58.02988	8.1
58.41502	1.1
64.98740	1.0
71.13219	1.8
72.00923	6.6
77.18587	1.0
79.22375	1.0
82.06625	2.3
91.05557	8.7
99.87535	0.9
112.07680	4.1
116.05068	1.6
116.88942	1.1
118.06624	3.6
126.09249	2.4
129.10364	85.9
130.10672	3.2
138.08759	1.0
145.02985	1.1
147.04543	30.4
148.04907	1.6
153.10320	5.1
153.60254	0.9
154.03510	0.9
154.08775	15.3
164.07187	80.1
165.07494	3.2
171.11418	69.1
172.11787	1.8
216.13939	1.2
233.16602	43.4
234.16957	3.0
275.17615	6.8
277.15540	4.2
319.16660	100.0
320.16995	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88656	0.9
57.03454	1.3
59.01096	2.0
59.01389	36.4
69.09468	8.3
71.01395	23.2
72.99323	3.1
73.00677	1.0
73.02948	1.7
78.81092	0.8
83.01392	2.1
85.02952	6.2
87.00893	1.5
89.01952	1.8
89.02453	19.5
95.01408	2.7
98.22549	2.0
99.00985	1.0
101.02462	14.4
103.13039	0.8
113.02449	8.5
113.09745	30.0
114.10052	0.8
119.03524	7.5
125.35131	0.9
125.81559	0.8
128.02135	0.9
141.09247	5.5
143.03552	1.1
143.10805	1.4
155.10796	3.0
159.10287	76.5
160.10658	2.8
179.05620	1.2
188.72842	1.0
201.11339	1.5
321.15576	100.0
322.15918	9.1
334.65292	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
58.00590	1.4
59.01384	100.0
64.20226	0.9
64.20589	0.8
69.27585	6.6
69.63009	0.8
71.01389	15.5
72.99313	2.5
83.01379	1.0
85.02980	4.3
87.00871	1.7
89.02454	20.8
95.01369	1.0
98.22546	1.9
101.02448	9.9
113.02473	6.7
119.03509	10.9
131.03491	1.3
134.03802	1.0
139.75609	0.8
141.09267	1.2
161.04559	0.8
179.05701	1.0
190.17807	0.8
193.05128	1.9
223.13794	0.9
254.94672	1.0
262.34796	0.8
321.15628	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	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03439	2.2
58.00604	6.0
59.01386	100.0
71.01391	69.1
71.26347	2.9
72.99313	6.8
73.02953	2.1
83.01409	2.8
85.02960	11.7
87.00879	3.0
89.02455	80.8
95.01430	6.8
97.03023	1.7
100.22388	1.7
101.02453	53.1
113.02464	26.2
113.03177	2.3
119.03519	43.3
126.81992	1.4
131.03586	2.9
134.03818	3.3
141.09258	2.0
141.40640	1.6
143.03526	2.7
149.04568	3.3
149.06076	2.5
159.10292	1.8
166.01512	1.9
179.05577	1.9
193.05124	5.1
321.09930	2.4
321.15561	39.8
336.45721	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	321.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.1
57.03445	2.0
58.00583	4.0
59.01385	97.8
60.01710	1.4
60.75611	0.8
61.69704	1.1
64.68777	0.9
67.85603	0.8
71.01389	56.4
71.27476	1.4
72.99315	4.6
73.02940	2.8
83.01405	3.1
85.02954	12.9
87.00861	2.3
87.04533	1.0
89.02454	61.8
95.01389	3.6
98.94753	0.9
99.00888	1.3
101.02456	37.8
107.00314	0.9
113.02468	19.5
113.09731	2.6
119.03507	26.2
122.03947	0.9
131.03484	2.2
134.03731	3.6
135.04485	1.5
137.02507	1.1
141.09250	15.8
143.03525	1.7
149.04561	1.1
149.06128	1.0
157.08730	1.1
159.10342	4.9
161.04643	1.2
178.02657	2.4
179.05580	1.7
187.03961	1.0
193.05115	4.9
197.04216	1.2
200.02859	1.3
209.03410	1.0
251.68150	0.9
255.03203	1.0
289.08652	1.1
305.76627	1.1
321.15555	100.0
322.15912	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2075
Annotation	Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
57.03444	2.3
69.73142	9.1
70.35551	1.8
71.01381	9.0
71.46575	2.0
87.05494	1.9
128.13016	1.8
231.17517	6.6
233.19122	2.7
247.20605	19.4
249.22218	15.0
257.97546	2.0
261.18735	3.8
277.21765	29.7
278.22195	2.0
282.31985	2.1
291.19730	2.0
321.20734	100.0
322.21133	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	321.2075
Annotation	3alpha-Hydroxyayapanonic acid
Peak:m/z	Relative Intensity
51.51357	0.9
51.70079	1.0
57.03457	7.9
59.01377	4.1
69.03461	1.9
70.02138	0.9
70.50096	1.1
70.79741	2.1
91.91231	0.8
121.62595	1.0
160.97649	1.0
191.14455	14.6
197.98888	1.0
210.22066	0.9
210.74240	0.9
215.38657	1.0
230.79829	0.8
259.16925	1.3
261.18622	17.6
262.19107	1.2
271.06601	0.9
277.21725	3.5
303.16147	1.8
303.19693	35.5
304.19986	3.2
321.20743	100.0
322.21036	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	321.2074
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01385	100.0
60.22418	0.6
61.60099	0.6
68.50463	0.7
69.01977	5.3
69.02374	1.1
73.69307	0.6
103.04031	2.0
105.07288	0.7
119.72751	0.7
140.81140	0.7
154.71317	0.6
162.50089	0.7
182.42442	0.7
190.42511	0.7
234.82759	0.6
249.22258	0.7
277.17813	0.9
277.21637	2.4
321.20724	54.7
321.24042	2.0
322.21017	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	322.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46321	0.7
51.08171	0.6
59.01382	19.4
60.33067	0.7
67.06847	0.6
70.60860	2.2
71.01386	2.5
71.29092	0.6
72.00521	1.5
72.00913	27.1
85.02925	1.2
89.02464	1.7
89.78283	0.7
97.63909	0.6
101.02496	1.2
103.05542	2.1
113.02493	1.3
119.03543	1.3
119.05045	1.1
123.36918	0.7
127.96702	0.7
141.98235	6.0
143.07249	0.9
147.04535	66.8
148.04837	3.7
151.21115	0.8
164.07176	100.0
165.07593	4.5
174.99254	1.5
175.95244	0.8
187.98792	7.8
202.97539	1.1
209.27650	0.8
229.99741	1.0
322.06100	73.9
323.06583	5.5
323.13531	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	322.0935
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
58.00583	4.3
59.01385	100.0
69.11265	9.2
71.01387	47.4
72.01735	1.5
72.99303	4.1
73.02923	1.4
83.01414	2.8
85.02962	10.9
87.00903	1.3
89.02454	57.6
90.02794	2.3
95.01402	3.1
96.96029	2.0
98.21078	1.2
98.21793	2.9
99.04507	2.1
101.02457	27.2
113.02470	19.4
116.05074	34.3
117.05400	1.4
119.03512	20.0
131.03604	2.7
143.03528	2.6
159.74890	1.2
160.04057	61.5
161.04510	6.3
167.03548	2.2
172.07217	1.3
179.05632	3.5
193.05009	1.4
202.05122	25.7
232.06219	5.2
262.07248	35.1
263.07510	2.0
322.09378	44.6
323.09561	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	322.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.9
62.53632	0.9
71.01390	1.2
72.94417	0.8
85.02966	2.9
85.65716	0.7
89.02448	1.4
101.02468	1.6
101.95770	0.8
102.05619	43.2
104.19817	1.1
112.26874	0.8
113.02415	0.8
116.37862	0.8
117.03488	1.3
123.04565	1.3
128.03560	54.0
129.01939	0.9
129.03844	0.9
132.02171	2.7
134.03760	56.8
135.04349	1.9
146.04616	100.0
147.04968	2.6
149.06099	25.5
150.06462	1.0
160.01671	12.3
172.02557	2.4
175.04030	20.6
193.05083	13.5
214.08795	1.0
217.07425	1.0
232.09854	5.0
278.10333	3.4
287.41748	0.8
304.08313	10.6
305.08710	1.2
322.09399	23.5
323.09723	1.8
339.76602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2028
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02985	1.7
64.11549	0.2
70.91631	0.3
70.91979	0.4
75.24780	0.2
81.03469	0.4
95.05032	0.6
97.06591	0.3
109.06577	0.7
109.73205	0.2
128.09889	0.3
128.10838	7.2
130.08757	100.0
131.09105	3.0
165.12868	0.9
172.09831	0.7
267.66385	0.2
322.20264	27.7
323.20663	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	323.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	0.5
59.01386	8.2
61.44804	0.4
65.25930	0.3
68.58105	0.4
68.67398	0.3
69.10855	3.2
71.01388	4.7
72.95038	0.4
85.02950	0.9
89.02457	6.5
95.05013	0.6
99.04532	100.0
100.04858	2.8
101.02478	2.3
110.02127	0.3
113.02453	1.4
113.80972	0.4
119.03510	3.1
123.05965	0.3
126.70602	0.4
143.03519	26.1
144.03870	0.6
161.04572	0.8
179.05531	1.9
180.85600	0.4
181.83565	0.4
259.75739	0.3
314.67133	0.3
323.09842	4.6
323.18802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68107	0.5
55.01875	0.7
58.00608	0.9
59.01385	29.7
60.01720	0.8
71.01386	11.4
71.22810	0.5
71.25946	0.8
72.99330	1.1
73.02948	1.6
83.01383	0.9
85.02982	3.0
87.00949	0.6
89.02454	9.7
93.03482	1.0
95.01414	0.7
99.04532	100.0
100.04874	2.4
101.02471	4.9
111.00854	1.2
111.04515	0.7
113.02466	5.3
119.03499	4.1
121.22543	0.6
142.99821	0.9
143.03526	24.0
143.07147	1.0
161.04518	1.6
161.08189	1.8
173.04561	1.4
179.05649	2.8
245.32674	0.7
323.09808	7.3
323.13541	5.6
333.93420	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17007	0.1
55.05506	0.2
57.03435	0.2
58.00586	0.3
59.01387	8.8
69.05583	0.3
69.05973	1.3
71.01395	5.4
72.15668	0.1
72.99321	0.3
73.02946	0.3
83.01391	0.2
85.02962	1.1
87.00903	0.7
87.04480	0.2
89.02455	7.4
95.01408	0.4
99.04533	100.0
100.04858	2.3
101.02464	2.3
113.02460	2.0
119.03523	2.9
119.71400	0.1
131.03519	0.3
134.03807	0.2
143.03519	22.0
144.03850	0.8
149.04550	0.3
161.04619	0.8
161.05772	0.1
162.03259	0.4
179.05647	2.0
221.16081	0.2
232.58080	0.1
233.64450	0.1
323.09903	4.4
324.10147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.5
58.76011	0.4
59.01384	10.1
69.62367	1.5
71.01392	5.4
85.02965	0.8
89.02460	7.4
99.04531	100.0
100.04861	2.5
100.47852	0.4
101.02463	2.7
113.02473	1.9
119.03502	2.7
143.03519	27.1
144.03864	1.1
161.04536	0.8
179.05699	1.9
189.20950	0.3
236.59433	0.5
323.09860	5.9
323.13293	0.6
324.10251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.7
69.88943	3.0
70.41135	0.7
71.01389	8.0
76.38566	0.6
83.98182	0.7
85.02962	1.6
89.02448	8.2
91.82851	0.7
98.21896	1.1
99.04529	100.0
100.04860	3.2
101.02454	4.0
107.48446	0.7
113.02466	3.2
119.03498	3.0
143.03519	27.1
143.04648	1.4
144.03815	1.0
144.27322	0.7
161.04509	1.4
162.07744	0.9
179.05627	2.9
217.70380	0.7
247.94583	0.9
271.98163	0.8
323.09845	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	323.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45768	2.6
55.01866	2.9
56.68735	2.8
57.03429	3.8
58.13476	3.1
59.01094	5.0
59.01384	100.0
62.63540	2.8
66.97012	2.5
69.03456	4.4
70.44847	2.6
71.01391	80.4
71.28503	4.6
72.99318	5.7
73.02937	9.9
79.41665	2.8
81.03463	6.2
83.01396	7.8
85.02948	20.6
87.00871	6.9
89.02457	63.8
95.01380	5.4
95.78839	2.7
96.96036	2.7
97.02976	7.1
99.00886	4.6
99.04518	4.4
101.02446	43.9
111.00866	3.8
113.02461	24.0
119.03519	22.4
123.20807	3.2
125.02481	24.0
131.03560	5.9
143.03558	2.9
153.07526	2.9
161.04567	11.0
163.04694	2.8
179.05626	3.6
191.20042	2.9
221.06682	3.6
231.44554	2.9
261.98471	3.5
309.07727	5.2
323.15112	4.7
323.18604	7.1
324.10016	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	323.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98709	1.4
57.03432	1.8
59.01386	88.1
68.99815	5.2
70.48470	4.4
71.01393	21.7
72.99307	2.1
73.02968	17.0
75.00874	2.4
78.95882	2.1
81.03439	1.7
85.02962	15.1
87.00896	2.3
89.02456	22.3
94.99786	1.5
95.01408	3.8
96.99339	4.3
97.02999	2.4
99.00909	2.5
99.04533	100.0
100.04868	2.9
101.02431	12.0
111.00900	5.6
113.02476	14.2
119.03534	8.3
120.23145	1.5
121.02959	5.3
123.00860	3.4
123.04540	3.1
125.02471	2.1
133.03004	11.5
143.03516	31.1
143.07140	2.4
145.08672	4.0
148.00502	2.2
149.02475	4.6
151.04027	9.8
154.77682	1.6
161.04585	3.4
161.08188	4.9
163.02692	2.4
165.01944	3.5
177.01987	7.6
178.05070	1.8
179.05646	3.9
195.03012	4.8
263.11438	3.4
264.04953	1.8
273.08496	1.7
323.09799	11.5
323.13470	11.6
323.16788	2.9
324.07156	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.9
52.05268	0.9
55.01856	1.1
57.03442	1.8
58.00598	4.6
58.13370	1.0
59.01387	100.0
60.01707	1.0
68.28165	0.9
69.03422	0.8
69.03768	9.0
71.01390	54.6
72.99318	5.4
73.02939	3.2
83.01395	2.9
85.02959	19.2
86.44455	0.9
87.00879	2.7
87.04505	1.0
89.02459	58.0
93.03491	1.0
95.01404	4.4
99.00916	1.4
99.04519	3.8
99.08167	1.5
101.02455	34.4
105.03508	1.0
107.05052	2.7
113.02462	19.9
119.03517	29.2
123.04547	3.6
129.01938	1.0
131.03526	2.2
133.02974	2.5
138.47595	0.9
143.03497	4.3
143.07158	1.0
147.03040	3.4
149.04527	1.6
151.04039	9.3
156.76295	1.2
160.01697	1.5
161.04590	2.9
161.08214	1.3
177.01918	1.2
179.05618	2.8
195.03027	4.7
276.05231	0.9
323.07449	2.3
323.13510	79.0
324.13809	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21203	0.7
59.01385	100.0
60.01706	0.9
69.69287	4.6
71.01391	6.6
71.67832	0.8
73.02956	1.1
78.95925	0.8
83.01423	0.9
85.02937	2.8
89.02444	5.4
89.51902	0.9
95.01387	0.9
96.99308	0.9
98.21752	0.9
99.04532	23.4
99.09170	0.7
101.02444	4.3
101.06079	1.4
108.64787	0.8
113.02457	2.9
119.03492	2.0
131.10809	0.8
133.02980	1.2
143.03540	6.4
151.03981	3.5
161.04530	3.4
177.01880	1.5
179.05617	1.6
263.11426	1.4
270.12881	0.9
310.63367	1.0
323.13232	0.9
329.28241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03459	1.0
58.00577	3.5
59.01387	100.0
67.13561	0.9
71.01393	47.3
71.07780	1.7
72.99303	3.5
83.01382	2.0
85.02960	11.3
87.00893	1.0
89.02457	58.8
95.01390	3.9
101.02454	34.5
113.02467	17.9
115.80807	0.9
119.03514	30.1
126.42660	1.2
126.48973	1.0
131.03488	2.1
143.03513	2.4
149.04559	2.4
161.04530	2.3
161.08208	2.2
179.05623	2.5
323.13498	85.9
324.13867	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
57.03437	2.5
58.00591	3.5
58.49920	0.8
59.01385	100.0
60.01724	1.1
60.82332	0.9
65.73944	0.9
70.69583	2.0
71.01390	63.0
72.99300	3.0
73.02957	11.5
75.00882	1.6
83.01418	4.4
84.02151	1.3
84.65568	1.2
85.02966	21.4
87.00916	4.6
87.01334	0.9
89.02454	50.7
90.81502	0.8
95.01389	4.8
99.00880	3.4
99.04546	1.5
101.02455	42.0
106.37499	0.8
113.02465	25.1
114.02689	1.0
119.03510	21.6
121.52674	0.8
122.21647	0.9
125.02464	1.2
128.13695	0.8
131.03505	1.5
143.03535	2.1
149.04593	1.9
151.04053	1.2
159.02986	3.5
161.04584	19.4
161.11841	5.8
163.34134	0.9
179.05600	3.1
268.01196	0.9
275.49634	0.8
323.13458	5.2
323.17114	35.6
324.17426	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	323.1869
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
57.03446	0.5
57.28847	0.5
59.01382	4.9
63.65494	0.5
69.01423	4.1
69.01830	1.0
72.43087	0.6
77.21072	0.6
78.52902	0.4
78.95836	0.5
85.02937	0.6
89.02512	0.5
95.05029	0.6
95.08368	0.6
97.06613	1.3
99.07442	0.6
101.02431	0.7
107.81124	0.5
119.02289	0.5
137.09756	0.6
189.12854	0.9
205.15910	1.1
235.20668	0.5
245.15338	0.8
259.17154	1.1
261.18604	66.3
262.18967	5.4
279.19675	15.5
280.20023	1.5
284.86377	0.5
305.17575	2.8
323.18652	100.0
324.18973	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	323.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29018	1.2
55.01887	1.5
59.01387	8.7
61.98842	2.2
66.30558	1.2
67.01881	3.5
69.78400	4.7
69.78813	2.4
71.01416	1.5
71.05021	4.9
73.02946	4.5
73.67149	1.3
83.05035	28.9
93.03471	5.3
95.05039	47.2
107.05021	1.8
113.06102	1.6
121.02957	1.8
136.94141	1.2
151.07672	37.2
151.24533	1.2
166.87642	1.2
167.06810	1.3
171.10295	100.0
172.10619	4.5
180.46451	1.2
210.55893	1.2
303.98587	1.3
323.18695	30.1
324.18933	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	323.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87823	0.5
57.03440	1.5
59.01381	2.8
69.03386	2.4
69.03809	1.7
71.01385	0.7
73.02952	1.3
75.00793	0.4
78.91531	0.4
92.64904	0.5
94.90650	0.4
98.22504	1.0
198.70781	0.5
209.11862	0.6
220.83824	0.5
261.22256	17.7
262.22638	1.4
279.23340	18.7
280.23621	1.5
302.96439	0.5
305.13159	0.4
305.21243	1.9
323.22305	100.0
324.22675	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.11030	2.0
58.43985	2.0
59.01387	10.3
69.26996	8.4
69.27424	8.2
73.79879	1.9
77.61185	2.0
90.10741	2.2
92.72259	1.8
110.27807	2.1
115.63375	2.0
123.04482	2.6
165.09192	3.5
219.09718	2.0
247.46733	2.3
261.22238	4.9
305.21234	100.0
306.21582	10.1
323.18713	3.5
323.22266	27.3
324.22772	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	323.2231
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01389	1.5
61.98839	1.0
70.81841	1.1
72.66622	0.4
96.96015	0.6
98.30650	0.5
113.09711	0.5
117.83967	0.5
123.04561	0.7
137.06139	1.3
137.09726	1.0
139.11375	0.5
151.11273	0.6
156.04375	1.1
161.82552	0.4
162.10481	0.6
165.09232	1.5
165.12891	1.7
167.14407	0.7
184.35655	0.5
193.12471	0.8
233.19220	0.5
235.13504	0.5
235.44824	0.5
261.22223	4.5
279.23404	0.7
287.20294	0.7
305.21255	100.0
306.21597	10.8
323.22314	18.3
324.22601	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	324.0728
Annotation	Pancratistatin
Peak:m/z	Relative Intensity
51.45139	0.9
54.31016	1.0
59.01400	1.6
62.86773	0.9
68.99827	84.8
69.46801	2.5
69.47211	4.1
70.00148	3.0
74.03734	1.0
80.86584	1.0
83.00284	1.1
85.74048	1.2
94.90382	1.0
96.99327	66.6
97.99677	1.6
99.53394	1.1
120.00932	11.8
127.97276	1.2
130.79117	1.2
133.02992	2.0
133.09897	0.9
135.03217	1.2
148.00429	43.4
149.01102	4.1
150.01959	2.1
162.02013	4.7
163.02776	45.1
163.03918	1.5
164.03503	7.3
165.04338	1.6
171.45987	1.0
178.01549	2.3
178.05119	49.1
179.05435	3.1
180.06601	1.6
185.76183	1.1
189.00609	1.5
190.01514	4.3
191.02237	5.9
204.02982	1.3
205.03784	2.9
206.00972	4.0
206.04654	3.5
209.71295	1.0
219.01541	1.4
221.03322	1.9
224.05792	1.3
230.14519	1.1
232.02339	1.3
233.03368	2.5
234.04080	4.4
236.05670	11.7
264.05164	59.0
265.05441	4.0
309.05002	5.2
324.07288	100.0
325.07568	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04133	0.7
59.01371	3.1
59.33675	0.7
65.90602	0.7
69.04782	3.9
69.05212	3.7
71.01379	2.2
72.99294	1.0
75.00867	1.6
77.03964	1.2
85.02947	3.9
87.00908	1.0
89.02460	1.6
93.03494	2.2
95.05050	5.2
99.00914	1.8
101.02465	2.3
105.03480	12.0
109.02961	1.6
114.05632	3.0
117.03499	0.9
119.05044	100.0
120.05363	3.1
121.02959	2.4
123.04545	12.2
131.03560	0.9
133.02975	70.3
134.03441	1.4
135.04553	3.4
139.04037	1.1
145.02950	1.1
146.03743	1.0
147.02977	1.6
147.04544	1.5
148.05263	1.2
149.02478	10.1
149.06055	1.4
150.03226	2.8
151.04018	2.6
161.02405	1.5
161.06107	1.8
163.04030	71.9
164.04382	3.9
165.05496	0.8
176.04759	6.0
177.01949	26.8
177.05464	4.3
178.02318	0.9
179.03477	3.9
191.07111	6.4
192.07845	1.4
193.05026	1.5
195.03061	2.7
235.05981	0.9
237.07735	2.4
251.09283	2.2
294.08945	1.2
309.07639	1.6
310.08511	2.7
325.05533	1.5
325.10611	4.0
325.14188	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	325.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.0
71.01376	6.0
71.26182	1.7
72.99331	2.3
77.03973	2.6
85.02953	4.5
89.02453	3.4
95.05035	9.0
99.00933	1.9
101.02462	4.2
105.03474	17.1
108.02180	1.5
108.57375	1.3
109.02947	2.1
114.05611	23.5
117.03472	21.6
119.05051	17.2
121.02961	3.5
123.04551	20.7
131.03531	3.7
132.02159	1.4
133.02971	94.4
134.03690	4.8
135.04510	4.4
138.84729	1.3
145.02971	100.0
146.03532	4.4
147.03036	1.6
147.04488	2.7
148.05280	1.4
149.02498	6.3
149.06094	1.6
150.03252	5.2
151.04010	4.1
159.04608	1.6
161.02419	2.2
161.04770	1.3
161.06119	5.2
162.03247	1.3
163.04025	24.1
164.04767	2.3
165.05499	2.5
176.04799	11.5
177.01936	37.9
177.05432	1.7
178.02522	1.7
187.04022	3.2
189.05644	1.2
191.07169	11.1
193.05064	6.0
195.02954	4.0
203.03513	2.3
205.05031	1.5
211.14523	5.2
220.03741	3.3
235.06096	6.8
265.07330	1.7
292.07413	1.7
294.09094	3.0
300.97293	1.4
309.07788	3.1
310.08490	4.6
325.05838	1.7
325.10184	4.5
326.20914	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	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68387	1.3
55.01885	1.3
57.03444	2.5
59.01390	4.5
69.03461	1.8
69.33995	8.7
69.66977	1.3
71.01380	5.1
73.02947	2.1
74.02482	3.6
87.04504	1.2
89.03997	2.3
101.02451	31.3
113.02480	3.1
113.41726	1.2
117.03471	9.6
117.22500	1.2
119.05059	4.8
131.03529	44.3
132.03845	1.5
133.02939	2.7
134.03760	89.5
135.04102	3.6
137.02452	3.3
145.02982	5.0
149.04614	1.6
149.06107	9.1
162.06892	1.5
163.04044	5.4
163.06313	2.0
164.07214	2.3
178.02696	10.4
180.03519	1.5
193.05077	100.0
194.05385	4.0
206.01485	5.4
222.07747	2.1
233.03325	1.3
235.06158	3.4
325.09470	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	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32530	0.8
57.03451	1.7
59.01089	1.7
59.01388	26.8
69.03443	1.2
69.23413	2.0
69.23816	4.6
71.01400	2.2
72.99309	2.3
73.02959	1.2
75.00889	2.0
78.52364	0.9
83.01387	2.0
85.02970	6.4
89.04004	1.3
95.01442	1.0
95.05023	1.6
101.02443	1.9
101.46285	1.1
105.03471	4.5
117.03497	5.6
119.05039	14.5
123.04566	7.6
129.01988	1.2
131.03535	16.3
133.02982	28.8
134.03772	54.3
134.27130	0.9
135.04105	1.8
137.02484	1.0
147.04543	1.2
149.02525	3.0
149.04579	100.0
149.05945	3.4
150.03185	1.5
150.04907	2.2
160.01700	3.2
163.04039	18.7
175.04015	2.9
177.01959	10.8
178.02664	1.6
179.05608	1.6
183.62421	1.1
193.05087	53.3
194.05482	1.9
195.03079	1.4
214.19913	1.0
234.95346	0.9
236.65591	0.9
282.08994	1.7
293.08249	1.0
294.08868	2.4
303.97208	0.9
309.07617	2.1
310.08472	4.2
325.05740	3.3
325.10965	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	325.0933
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.62095	0.5
56.07757	0.5
59.01388	1.1
59.77238	0.5
69.44527	2.7
71.01405	1.0
82.26015	0.6
89.02512	0.5
93.03480	0.6
101.02497	0.7
105.03507	1.9
114.05654	3.2
117.03464	0.6
119.05044	100.0
120.05363	3.8
123.04530	1.2
131.03485	0.7
133.02966	6.8
134.03786	0.8
145.02992	0.7
149.02443	0.6
163.04030	72.1
164.04390	2.8
168.05724	0.5
177.01970	2.9
203.30905	0.5
211.59518	0.5
261.98660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
59.01392	5.6
66.79159	0.5
69.26273	4.2
71.01389	3.3
85.02959	1.2
89.02467	2.8
98.21781	1.0
99.98872	0.6
101.02446	0.8
105.03490	1.0
113.02438	1.3
114.05584	2.9
117.03484	20.7
118.03835	0.7
119.03475	0.7
119.05035	5.5
123.04534	0.6
125.59746	0.5
129.83861	0.5
131.03551	0.8
133.02986	4.7
133.06610	0.9
134.03697	1.0
143.45485	0.5
145.02972	100.0
146.03316	4.7
159.04410	0.9
161.04646	0.6
161.06096	1.2
163.04013	8.7
176.04720	2.8
177.01965	2.3
187.04028	3.0
187.29675	0.5
191.07159	2.7
193.05072	1.5
205.05142	1.1
235.06226	1.5
235.72957	0.8
256.04126	0.5
263.12552	0.5
265.07178	1.6
289.83203	0.5
325.09415	4.2
326.09464	0.6
326.20764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.01376	1.9
69.03447	2.8
69.31926	5.0
69.32330	1.6
71.01387	6.9
73.02954	2.2
75.05094	1.0
83.01395	1.7
85.02957	1.5
89.03997	2.0
95.01410	1.2
98.21738	1.7
99.00878	1.2
101.02453	6.5
101.53765	1.1
105.03487	1.4
106.04268	0.9
113.02460	1.9
114.95456	0.9
117.03483	8.1
121.02960	1.5
131.03528	55.6
132.03871	1.4
133.02974	7.4
134.03761	100.0
135.04155	2.8
137.02464	3.2
139.04079	1.5
145.01410	1.5
145.03029	1.2
146.03751	1.7
149.04570	10.7
149.06105	12.5
161.06096	2.1
163.02611	1.3
163.04021	2.2
164.04825	1.7
165.05566	1.1
177.01962	2.5
178.02742	15.2
193.05086	96.0
194.05453	3.8
235.06149	1.9
241.34712	1.0
264.61649	0.9
274.42276	1.1
300.29233	0.9
310.98785	1.0
325.10815	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	325.1085
Annotation	Moracin O
Peak:m/z	Relative Intensity
58.20988	0.6
59.01371	1.4
60.83886	0.6
69.14532	0.6
69.46790	2.1
69.47202	1.2
93.03452	1.4
101.83926	0.6
108.02200	0.7
109.02944	1.7
117.03473	0.9
121.02927	1.5
133.02928	0.5
133.68636	0.6
133.76990	0.5
135.04492	0.7
136.01740	0.6
137.02477	3.5
145.02942	1.2
145.92178	0.6
146.03711	0.9
147.04601	0.7
149.02538	1.1
159.04518	1.8
161.02406	0.9
169.06494	0.7
173.02458	2.4
174.03264	0.9
175.04059	1.2
183.04573	0.8
183.08186	1.2
187.03957	2.4
188.04787	1.1
189.05463	0.9
193.06557	1.9
195.04503	2.6
195.08147	3.3
196.05283	2.7
197.06003	1.5
207.04565	1.1
209.06006	2.2
210.06856	0.9
211.03993	1.3
211.07600	3.7
212.04790	0.7
213.05495	0.8
219.04539	0.8
220.05370	1.3
221.06142	6.5
222.06757	2.5
223.03938	2.3
223.07635	3.7
224.04855	3.3
225.05458	1.3
233.05978	0.9
237.03406	1.1
237.05583	13.3
238.06345	4.9
239.07111	10.5
241.57359	0.6
248.04826	2.3
249.05574	9.6
250.06200	3.8
251.03543	4.0
251.07169	3.1
252.04051	1.4
253.05092	1.3
265.05075	4.6
266.05826	3.6
267.06635	40.2
268.06946	2.5
277.05060	3.0
278.05795	2.0
279.06671	2.7
281.08179	2.3
294.05362	1.7
294.09018	1.6
295.06128	100.0
296.06445	8.9
309.07693	3.2
310.08505	75.8
311.08798	7.2
325.10831	89.9
326.11063	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.166
Annotation	Botryaloic acid acetate
Peak:m/z	Relative Intensity
50.40273	1.3
51.93769	1.4
52.57568	1.4
57.03448	2.3
59.01387	37.4
63.79380	1.3
65.94688	1.6
69.14281	4.9
69.14702	8.0
71.01405	2.4
71.05032	2.2
71.45673	1.5
81.03416	1.4
83.05039	3.5
95.05067	1.6
97.06611	2.5
98.21834	3.5
114.05630	10.1
125.81306	1.4
127.07683	3.8
166.12428	2.9
171.10341	4.4
185.11832	2.5
203.14471	2.7
209.11835	15.0
210.11440	6.2
211.13460	2.3
221.15486	59.2
222.15884	5.1
239.16547	3.9
249.14943	2.9
251.16611	3.3
263.16547	16.3
265.14716	1.5
265.18195	1.7
267.16098	2.3
269.04434	1.7
281.17609	68.4
282.17969	5.2
289.18152	3.2
289.32590	1.5
307.15567	9.2
307.19269	15.7
308.19482	1.7
315.96149	1.7
325.16656	100.0
325.20325	21.0
326.16989	6.6
326.20395	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49227	0.8
58.43350	0.7
68.78877	0.7
69.30238	1.1
69.30640	4.4
79.95738	1.1
103.97267	0.7
117.28874	0.7
183.01227	27.3
184.01810	1.5
197.02757	2.0
202.62814	0.7
216.00804	0.8
309.79880	0.7
325.18445	100.0
326.18823	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	325.2024
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03451	5.6
58.00586	0.7
59.01398	3.7
67.05538	1.4
69.03449	1.8
69.17689	6.6
71.01393	4.4
71.05007	1.0
73.02962	1.4
80.02684	1.2
81.03484	1.6
82.93417	0.7
83.05045	5.4
84.02174	2.6
85.02956	30.9
93.03465	1.5
95.05049	11.2
97.02941	3.2
97.06626	1.8
99.04528	1.0
106.04257	2.0
109.02994	1.2
109.06587	2.2
110.03729	4.0
111.04538	1.2
123.04478	1.0
123.08170	3.3
125.09737	3.0
127.11329	2.0
133.06584	1.0
135.08174	6.0
137.09691	1.1
138.89571	0.9
146.26932	0.8
147.08076	0.8
153.09290	1.0
161.09560	0.9
163.11311	2.9
165.12843	1.7
167.14450	1.8
171.10289	52.3
172.10629	2.5
174.59549	0.7
175.11319	2.1
177.09279	0.9
177.12869	9.4
180.05899	0.9
181.12350	1.8
183.13947	5.2
185.11832	9.6
191.14517	1.6
193.12311	2.8
195.13919	2.8
197.11847	4.3
203.10875	4.8
207.10202	1.0
209.11848	22.6
210.12219	1.6
211.13403	15.5
212.13683	1.2
216.75912	0.8
221.11855	35.7
222.12222	2.4
225.11298	1.4
227.12833	2.2
229.14435	8.6
239.07083	1.6
239.12907	38.1
240.13222	3.2
242.11630	1.1
245.19125	3.8
257.13882	1.4
267.06754	4.3
271.17041	1.0
289.18137	11.4
290.18600	1.4
295.06110	10.9
296.06326	1.1
300.95453	0.8
307.19196	6.3
310.08453	7.8
311.09320	1.1
325.11121	10.0
325.20230	100.0
326.11206	1.9
326.20517	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	325.2024
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03436	4.4
59.01381	6.0
68.99847	1.3
69.03449	5.1
70.60365	2.7
70.60716	1.4
71.01393	2.1
71.05025	7.5
72.99311	1.5
73.02959	1.7
74.65187	1.1
81.03480	1.3
82.53519	1.1
83.05028	4.2
83.96844	1.1
85.06591	1.6
95.05054	1.4
96.30189	1.2
97.02955	3.0
97.06594	3.8
106.65347	1.2
107.08636	1.4
109.06597	5.8
111.08187	2.9
119.08656	2.0
121.10247	3.7
123.08173	4.5
125.09599	1.1
137.09750	7.3
141.09230	5.3
151.11299	1.9
153.09268	1.9
155.10806	2.1
167.10806	1.5
171.10281	5.0
179.14430	1.7
181.12357	1.3
185.11824	1.4
187.09792	12.3
197.08589	1.1
197.11862	8.1
199.09717	1.5
199.13339	1.6
201.11424	3.1
202.90874	1.3
209.11742	1.8
211.13467	5.9
221.15611	2.2
223.13426	2.7
225.15028	1.8
237.15065	1.8
241.14583	1.3
253.14296	2.0
265.18207	1.7
267.16064	4.6
288.07938	1.3
289.18073	2.4
307.19272	11.1
308.19650	1.9
325.03561	1.7
325.20230	100.0
326.20621	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	325.2024
Annotation	(+)-O-Methyldihydrobotrydial
Peak:m/z	Relative Intensity
57.03441	0.7
58.05659	0.5
59.01386	63.2
60.01692	0.8
70.15197	1.1
70.15579	1.6
71.05019	3.4
83.05003	0.9
88.31023	0.5
123.08170	0.6
167.14426	0.8
183.18019	0.5
193.62633	0.6
205.15941	2.4
213.11339	1.2
223.17026	2.2
239.20154	3.2
263.20242	0.6
265.18124	36.5
266.18439	2.9
271.11459	0.6
281.21249	1.7
285.45923	0.6
307.19119	1.1
309.16992	2.0
325.20233	100.0
326.20560	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	325.2024
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
52.16618	1.8
57.03446	2.3
58.00587	4.4
59.01386	13.6
61.98816	2.2
68.21395	2.2
69.03449	1.9
69.51431	4.1
69.51835	7.7
71.01394	9.6
72.78767	2.0
73.02959	3.2
81.03461	2.1
83.05018	4.5
84.02180	5.2
97.06609	3.3
109.06637	3.1
111.08165	38.7
123.08171	13.0
123.40979	1.8
125.09737	8.4
125.89011	2.5
127.07658	5.5
127.11325	5.3
135.08162	7.6
137.09743	2.7
139.07635	2.6
153.09227	6.4
155.10811	9.0
157.12419	2.3
163.11331	2.8
165.12805	2.9
167.10793	4.8
169.12314	5.1
171.10284	45.1
183.10352	5.1
185.11856	38.7
191.14510	2.3
195.10196	3.7
197.11861	27.6
199.13387	2.7
201.11375	47.5
202.11641	2.2
207.10252	3.0
209.11856	26.6
213.11394	12.6
214.01830	2.1
217.55539	1.7
225.11382	3.6
227.12889	5.3
231.64333	2.1
238.12122	4.1
245.19131	7.1
253.99091	2.1
263.20313	3.5
289.18109	9.4
307.19180	36.6
308.19357	4.1
325.20233	100.0
326.20609	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	325.2026
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01378	1.5
61.98830	1.7
63.96246	5.3
68.99537	8.8
73.62283	0.8
80.68514	0.9
96.59266	0.8
97.06604	1.2
99.08150	1.0
121.02966	6.2
122.03766	5.3
128.87625	0.9
136.05312	2.5
160.84224	3.5
165.13008	1.0
167.14426	7.0
168.04288	1.8
177.09549	3.1
193.15982	3.5
207.17615	3.5
231.17552	2.7
233.15504	1.1
247.17101	1.0
249.18631	36.4
250.18979	2.3
275.16547	26.1
276.16891	1.6
281.21265	6.5
293.17624	100.0
294.17981	9.2
307.19165	4.4
325.20261	64.3
325.86243	2.2
326.20569	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	325.2025
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03472	2.4
59.01389	3.0
69.03449	1.9
70.18663	2.9
70.19063	4.1
71.01378	6.4
71.05018	3.1
73.02958	2.3
80.02695	1.7
83.05030	6.2
84.02176	3.9
95.05047	4.0
97.02991	1.5
97.06610	6.6
99.04553	2.4
99.08163	3.6
109.06603	2.7
111.08135	2.1
112.05367	2.1
115.07651	3.4
123.08183	2.0
125.09743	11.0
127.07674	15.6
127.11329	2.4
135.08189	3.0
139.07684	3.2
153.09216	20.1
154.09644	1.9
155.10791	2.9
163.11328	5.5
165.12860	2.5
171.10286	23.9
178.10014	3.9
181.12318	1.7
185.11868	21.0
191.10669	3.1
197.11842	18.2
201.11249	2.3
209.11861	78.5
210.12296	4.3
235.53427	1.7
236.10448	1.9
237.14929	5.2
238.12106	5.7
245.19141	2.8
256.13303	3.5
263.20139	2.5
281.21268	2.1
289.18118	12.9
290.18341	2.1
307.19189	100.0
308.19473	10.9
325.16425	3.4
325.20239	58.9
326.20627	4.3
348.68466	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	325.2026
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.51698	1.2
57.03460	9.4
58.00582	1.4
59.01370	5.3
62.52483	1.4
63.00833	1.3
69.01514	14.6
69.03470	2.8
71.01389	2.0
71.05007	5.4
73.02946	1.4
80.02679	1.6
81.03423	2.5
83.05024	3.9
84.02164	1.8
85.02953	1.6
95.05052	2.0
97.02953	1.7
97.06596	3.7
98.21709	2.7
109.06589	9.7
110.96275	1.5
111.04565	1.8
111.08158	16.0
123.08154	4.0
125.06031	2.0
125.09740	23.8
127.07674	3.0
127.11297	11.7
130.08737	1.8
135.08182	2.2
137.09743	7.4
141.09314	2.6
151.11279	4.1
153.09207	4.5
155.10783	3.6
165.09224	3.3
167.10770	3.9
169.12349	3.2
171.10303	15.9
177.12845	2.1
181.12401	3.2
183.13947	1.6
184.33469	1.5
195.10310	4.6
197.11790	10.9
199.09767	3.4
199.13426	2.5
201.11346	67.4
202.11668	4.2
209.11852	3.8
211.09767	2.2
211.13385	11.5
213.11334	38.3
214.11499	1.8
227.12840	2.1
235.13525	1.4
237.14954	17.9
245.19171	4.0
249.14917	1.4
281.17676	2.2
282.89270	1.5
289.18127	29.0
290.18292	2.0
307.19168	40.2
308.19452	4.6
325.20215	100.0
326.20581	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	325.2176
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
68.57413	0.6
69.04316	5.9
81.26638	0.7
98.21807	1.4
98.86668	0.5
99.88602	0.5
106.76740	0.5
149.09740	90.2
150.10062	4.6
163.11308	100.0
164.11639	5.4
183.01239	9.7
184.01851	1.3
248.08926	0.7
325.18390	14.6
325.21762	91.7
326.18695	1.2
326.22052	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	326.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55392	1.7
69.55792	1.8
76.63956	0.6
93.33475	0.7
98.22472	1.2
99.45834	0.6
107.52261	0.6
114.01557	0.7
128.93739	0.6
128.98727	0.6
140.02080	3.5
184.01038	100.0
185.01160	8.0
186.27049	0.7
200.92509	0.7
254.87341	0.7
261.86710	0.7
263.04617	0.8
326.02316	1.3
340.63434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.7
60.03621	2.3
61.97831	2.5
69.18651	17.1
69.19063	3.4
70.93881	2.2
71.01395	3.3
75.00868	4.2
75.74783	2.7
78.95906	2.3
83.82572	2.2
86.17088	2.4
90.00230	3.4
101.02470	2.8
134.04764	100.0
146.02496	3.9
148.84904	2.3
150.03235	3.1
165.04205	5.8
165.05652	5.7
168.91484	3.4
169.00117	2.4
184.01057	18.2
266.09128	2.4
271.78967	2.6
279.12741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
59.01378	5.1
63.65448	1.1
70.98035	2.1
71.01376	4.9
72.99293	1.4
75.00881	34.9
80.31100	1.1
85.02972	2.5
87.00872	2.9
89.02470	1.7
92.96091	1.1
99.00877	1.9
101.02461	2.4
114.05618	4.0
129.01958	15.1
129.96976	1.2
133.02946	1.6
135.04556	7.7
135.05481	1.5
137.02454	1.4
147.03017	1.3
161.02481	1.5
163.01784	1.1
165.04066	100.0
166.04507	2.2
179.03494	3.2
200.36911	1.1
327.21988	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03448	3.7
57.92848	2.2
58.06156	2.6
59.01387	100.0
67.08421	2.4
71.01391	57.1
71.24844	3.8
72.99316	8.9
73.02946	9.4
74.02466	2.2
75.00882	20.9
83.01400	3.5
83.21799	2.8
84.72086	2.2
85.02963	15.8
86.36745	2.4
87.00898	13.8
89.02454	69.2
95.01412	3.1
99.00928	2.9
101.02460	36.4
111.50784	2.2
113.02472	18.7
115.00399	3.0
119.03525	27.6
121.47373	2.2
128.70160	2.3
129.01926	5.9
142.96622	5.1
143.03520	5.9
147.03006	9.4
161.04561	8.4
165.05566	2.5
165.07706	40.3
172.97711	5.5
172.99463	2.9
179.05605	12.3
180.93004	2.5
191.05658	6.4
262.28934	2.4
266.94006	6.9
267.10809	2.6
326.94379	3.4
327.09354	34.0
327.13043	37.8
328.13342	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	327.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.1
63.87933	0.2
69.04549	1.6
69.04967	0.7
71.01405	0.5
75.00896	0.3
76.45661	0.2
77.03954	0.3
91.05592	0.6
93.03468	0.6
93.15329	0.2
95.01436	0.4
95.05014	0.7
101.03998	0.6
103.05566	0.4
105.03499	0.3
109.02947	0.6
116.07189	1.1
119.05044	8.1
120.05328	0.4
121.02969	2.9
123.04549	0.4
129.03482	11.2
130.04343	1.8
132.02161	0.3
134.03749	0.4
135.04553	0.5
145.02972	1.0
146.03734	3.4
147.04539	60.2
148.04887	2.7
149.02455	17.7
150.02864	0.7
161.06137	0.6
163.03989	0.4
164.04823	3.0
164.08423	0.3
165.05585	100.0
166.05954	4.4
167.07106	0.3
173.02443	0.8
175.03967	0.2
267.06647	0.4
268.07504	0.3
269.08090	0.3
280.04547	0.4
280.07394	0.4
283.09686	0.3
297.07727	0.4
312.06705	0.5
312.10025	5.3
313.10486	0.5
327.12546	4.0
328.12604	0.4
328.22440	0.9
331.00049	0.3
341.97858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1091
Annotation	Androsin
Peak:m/z	Relative Intensity
55.00401	0.9
58.00592	2.0
59.01387	54.9
71.01391	25.7
71.26832	1.3
71.37366	1.1
72.99337	5.3
73.02940	2.3
75.00885	1.5
83.01401	3.0
85.02965	5.3
87.00887	1.1
89.02462	22.4
95.01421	2.2
101.02457	14.9
103.05505	1.2
113.02470	8.4
114.05625	1.6
119.03534	10.5
119.05003	7.8
122.40894	1.2
124.24839	1.2
131.03505	1.4
133.02983	1.4
136.07782	1.0
147.04546	100.0
148.04900	4.3
148.07689	1.7
149.02417	1.9
152.07239	1.5
154.99352	1.1
163.04044	1.5
165.04193	2.4
165.05563	18.2
167.03464	2.1
180.06691	1.9
191.03534	3.7
209.04576	5.8
210.07735	4.4
233.08354	1.2
327.10880	72.5
328.11270	7.7
331.15469	1.1
341.73917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54601	0.2
59.01389	1.3
61.63568	0.2
65.00320	0.5
67.01892	0.2
71.01390	0.8
71.27699	0.3
72.49383	0.2
77.03969	1.4
89.02469	0.7
93.03470	2.6
95.01425	1.6
95.05026	2.4
98.22106	0.3
102.89059	0.2
105.03490	0.7
107.01373	0.2
109.03034	0.3
119.05062	0.3
121.02975	16.3
122.03261	0.4
123.04558	1.2
129.03488	0.4
130.04189	0.4
132.02190	0.9
133.02977	0.9
134.03729	0.3
146.03757	1.8
147.04558	3.5
148.01682	0.4
149.02461	100.0
150.02785	3.9
153.05623	0.4
161.06096	0.6
163.04010	0.5
164.04819	15.8
165.05589	6.2
179.07135	1.3
198.67825	0.2
235.07607	0.4
247.82001	0.3
251.07161	0.8
254.05925	0.4
257.84067	0.3
263.07172	0.3
264.07898	0.3
265.08643	0.4
267.06607	0.4
268.07443	2.2
269.05060	0.3
269.08109	1.6
279.06610	0.3
280.07507	1.6
281.08218	1.0
283.09778	2.3
284.03226	1.3
284.10349	0.6
295.09659	0.4
297.04105	1.0
297.07697	1.5
299.05673	0.6
312.10071	30.9
313.10391	2.9
327.05765	2.8
327.12415	25.4
328.12695	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
52.70029	0.8
59.01365	1.9
65.56990	0.7
65.61949	1.0
68.79164	0.9
69.03583	1.3
69.03992	6.1
71.01376	0.9
76.11531	1.0
83.05030	2.2
84.26500	0.8
87.04507	2.5
93.03446	2.5
97.95657	0.7
98.22589	1.2
108.02168	1.1
109.02942	2.4
110.39528	0.9
119.04999	2.7
121.02965	20.9
123.04510	0.9
135.04486	1.7
146.03789	1.2
147.04546	6.6
158.03761	2.3
159.04489	1.9
163.03996	3.6
171.04596	1.4
175.02533	1.4
175.04016	24.4
176.04425	1.3
187.03972	2.0
189.05447	1.0
190.04811	1.2
190.06378	7.2
191.07097	1.9
193.06685	1.1
195.08173	1.8
196.05302	1.3
197.06032	1.5
203.07138	2.0
205.06610	2.1
207.08061	1.8
209.06061	2.0
210.26738	0.9
211.04060	1.4
211.07582	3.3
212.04640	1.3
221.06081	2.0
222.05190	9.0
222.06612	1.4
222.07172	2.0
223.07613	6.3
225.05495	3.3
225.09216	1.2
232.05339	0.9
233.06104	5.7
234.06668	1.5
235.03931	1.1
235.07590	2.8
237.05569	2.2
238.06274	1.4
239.07124	8.7
240.07886	1.9
241.05061	2.2
241.08728	2.5
248.04630	1.4
249.05466	4.0
250.06328	3.7
251.07129	10.7
252.07616	2.0
253.05026	2.4
253.08597	2.2
254.05827	2.2
261.05533	7.4
262.06195	2.1
263.07129	1.3
264.04193	2.3
264.07770	0.9
265.04852	0.9
265.08441	0.9
266.05789	1.1
267.06647	9.6
268.07306	4.0
269.08200	22.7
270.08530	1.3
278.05823	2.4
278.09372	1.0
279.06638	26.0
280.07074	3.7
281.08133	1.0
282.08899	2.5
283.09772	7.0
293.08231	0.9
293.48181	0.9
294.09003	10.8
295.06183	1.4
295.09247	1.5
296.06866	2.4
297.07718	100.0
298.08005	9.6
299.33688	0.9
309.11313	29.3
310.11368	2.2
311.09268	4.7
312.10062	63.9
313.10431	5.3
320.61676	0.9
327.12329	94.6
328.12653	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1241
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01938	1.1
66.40508	1.0
70.78980	1.8
70.79322	1.8
75.84452	1.2
77.03971	2.5
79.40132	1.1
84.78929	1.1
93.03468	4.5
95.05032	2.3
108.02197	1.2
109.02972	1.8
119.05080	1.7
121.02972	30.8
122.03352	2.1
123.04506	1.4
132.02199	1.7
145.02946	1.9
146.03786	1.6
147.04541	8.2
149.02452	96.8
150.02776	2.6
159.04506	1.9
163.04073	2.6
164.04810	17.4
165.05569	4.6
169.48227	1.4
171.10336	2.0
175.04002	15.7
190.06328	2.7
196.05266	1.4
197.06111	1.3
200.01985	1.1
203.07146	1.3
207.08128	1.7
209.06129	1.3
211.07564	2.7
213.05571	1.2
221.06122	1.6
222.05296	4.4
223.07683	3.9
225.05428	1.8
233.06094	3.3
235.07639	1.4
237.05600	1.5
239.07129	3.2
240.07788	1.4
241.04951	1.6
241.08675	1.5
249.05643	3.1
250.06210	1.5
251.07068	7.7
252.07652	1.5
253.08788	1.4
254.05920	1.9
261.05606	5.1
262.05957	1.3
263.07129	1.1
264.04205	1.3
264.07883	1.1
267.06656	8.3
268.07394	5.9
269.08215	17.4
270.08786	1.4
278.05713	2.1
278.09546	1.1
279.06680	15.9
280.07327	3.1
281.08142	1.5
283.09753	6.1
291.19760	1.2
294.09055	6.3
295.09918	1.3
295.17819	1.2
296.06805	2.4
297.07706	63.3
297.11191	4.2
298.08093	5.2
309.11420	15.6
310.11908	2.0
311.09314	3.1
312.10062	73.0
313.10431	6.9
327.12415	100.0
327.21539	9.7
328.12607	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	327.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22483	2.0
55.01867	2.8
57.03430	2.3
58.00598	4.3
59.01386	100.0
65.20545	1.7
71.01392	64.0
71.24695	2.4
72.99313	8.6
73.02958	9.3
75.00881	31.9
78.09258	1.8
83.01399	3.9
85.02953	18.6
87.00893	16.5
89.02459	72.9
90.02745	1.9
93.03503	2.3
95.01428	4.1
101.02453	40.3
111.04517	2.4
113.02466	22.2
114.05591	2.2
115.00388	1.9
115.42397	2.2
119.03512	25.2
119.04930	3.6
129.01974	2.9
133.01433	3.0
133.05087	2.1
142.96648	13.1
143.03496	6.4
147.03062	3.7
149.04530	1.9
160.97742	5.0
161.04608	8.7
165.07701	39.9
166.97533	2.7
172.99458	4.9
174.32913	2.2
179.05637	15.1
184.97728	2.5
191.05603	20.3
210.95029	3.5
215.00635	2.1
228.97594	4.3
240.94359	5.1
266.94092	7.8
266.97650	2.2
267.10883	5.6
284.95279	2.1
327.09326	39.9
327.13016	39.0
328.09756	3.9
328.13266	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	327.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22483	2.0
55.01867	2.8
57.03430	2.3
58.00598	4.3
59.01386	100.0
65.20545	1.7
71.01392	64.0
71.24695	2.4
72.99313	8.6
73.02958	9.3
75.00881	31.9
78.09258	1.8
83.01399	3.9
85.02953	18.6
87.00893	16.5
89.02459	72.9
90.02745	1.9
93.03503	2.3
95.01428	4.1
101.02453	40.3
111.04517	2.4
113.02466	22.2
114.05591	2.2
115.00388	1.9
115.42397	2.2
119.03512	25.2
119.04930	3.6
129.01974	2.9
133.01433	3.0
133.05087	2.1
142.96648	13.1
143.03496	6.4
147.03062	3.7
149.04530	1.9
160.97742	5.0
161.04608	8.7
165.07701	39.9
166.97533	2.7
172.99458	4.9
174.32913	2.2
179.05637	15.1
184.97728	2.5
191.05603	20.3
210.95029	3.5
215.00635	2.1
228.97594	4.3
240.94359	5.1
266.94092	7.8
266.97650	2.2
267.10883	5.6
284.95279	2.1
327.09326	39.9
327.13016	39.0
328.09756	3.9
328.13266	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	327.1818
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
57.03437	1.9
57.94653	0.9
58.00594	5.7
59.01371	2.9
59.86962	0.9
68.20383	1.0
69.03458	1.9
70.90860	1.9
72.21657	1.0
72.83033	0.9
73.02951	1.4
83.05045	1.2
85.02958	4.3
91.80164	1.2
97.06589	2.9
109.06635	1.8
116.07159	2.9
127.07653	4.8
127.11353	1.6
137.09680	1.8
153.12875	6.2
162.83775	0.8
168.91364	1.4
171.10281	9.1
176.87234	1.0
179.18878	1.0
183.13910	4.2
193.15971	1.3
199.13480	4.7
201.11443	2.2
202.40756	0.9
209.11913	1.0
211.13420	10.8
211.17036	2.3
219.17601	1.1
221.11916	1.8
221.19131	19.3
222.19466	1.1
229.14465	3.9
239.12766	1.1
239.20137	6.6
257.14066	2.0
265.18103	30.2
266.18436	1.8
283.19196	26.4
284.19501	2.7
289.65237	1.1
291.16095	2.7
291.19681	1.9
309.17145	47.0
309.20624	2.9
310.17444	4.9
327.18112	97.7
327.21814	100.0
328.18491	9.9
328.22165	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	327.1818
Annotation	Botryoloic acid
Peak:m/z	Relative Intensity
51.50005	0.8
57.03443	2.2
59.01387	8.3
68.99808	5.3
69.00233	3.9
69.03447	1.4
71.01385	6.4
75.99091	1.0
79.97540	0.8
85.02953	5.8
85.63249	0.8
86.75093	0.8
97.02982	1.1
97.06603	4.3
108.26630	0.9
125.09661	1.0
127.11303	1.3
171.10297	10.1
177.12894	1.8
183.13963	4.1
185.11810	1.3
191.14478	3.2
193.15993	31.1
194.16280	2.5
201.11356	2.8
205.15942	7.5
209.11848	1.2
211.13409	13.5
211.16873	4.5
221.11861	1.4
221.19168	10.5
229.14468	6.5
239.12874	1.1
239.20192	14.6
265.18143	12.0
266.18280	1.2
283.16428	0.9
283.19177	5.8
291.19641	2.6
309.17130	1.9
309.20569	2.1
327.18112	100.0
327.21808	60.3
328.18457	9.3
328.22220	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	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
69.08895	11.8
69.09314	11.3
71.32570	2.2
85.02955	4.8
97.06601	6.0
98.22519	5.6
111.27943	2.7
111.38957	2.4
125.09777	3.6
127.11295	5.0
156.97493	2.5
164.17047	2.6
165.12776	3.2
168.91432	3.6
171.10304	12.1
183.13911	5.3
201.11336	13.8
211.13440	22.3
223.26703	2.5
223.46745	2.7
229.14462	8.8
309.20834	3.4
320.23181	2.6
327.21823	100.0
328.22125	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03432	0.9
58.00598	1.3
59.01380	1.6
69.03451	4.1
69.88449	3.8
71.04951	0.9
87.72766	0.8
98.97293	0.8
99.08147	0.8
119.08668	5.0
125.09721	5.8
127.11303	3.8
128.12976	0.8
135.08124	2.3
137.09746	26.5
138.10107	1.0
141.95781	0.7
155.10786	1.2
165.91496	0.8
171.10289	100.0
172.10675	4.1
183.13982	0.9
201.09540	1.7
201.11345	23.7
201.13213	1.4
202.11691	1.2
211.13509	1.5
213.11285	4.5
221.11638	0.8
273.18546	2.3
284.03366	2.0
291.19629	4.0
309.20737	6.9
327.05206	3.5
327.21783	49.5
328.22186	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	327.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03453	2.3
58.00600	0.9
61.56308	1.0
69.78368	4.1
71.01373	0.9
71.05029	2.7
73.02949	1.2
80.02694	2.6
84.02181	24.5
97.06584	2.4
98.21793	1.0
99.08147	1.7
104.95788	1.0
111.08151	2.0
113.09740	6.9
113.17496	1.0
121.10212	1.4
123.08158	3.3
125.09753	8.6
127.11304	10.9
132.49226	1.0
135.08229	1.0
137.09738	24.2
141.09224	4.7
153.09233	9.9
155.10806	53.2
156.11113	3.4
171.10291	100.0
172.10629	4.8
201.11322	20.3
202.11699	1.9
213.11349	11.5
217.10782	3.5
288.73013	1.0
291.19687	2.1
309.20670	4.5
327.21796	71.2
328.22015	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	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
58.10741	1.0
59.01381	1.8
69.03448	1.4
71.05011	1.2
73.02950	3.5
74.68504	0.9
97.06609	2.5
98.03777	2.2
99.08170	4.2
112.05305	2.2
115.07661	3.5
125.09743	2.5
127.07664	4.5
127.11310	3.3
129.09245	42.2
139.11327	1.2
141.09233	16.9
141.12793	1.2
148.84048	1.1
153.12881	1.6
153.14139	1.0
155.10797	28.4
156.11086	1.5
165.12871	1.6
171.10312	24.3
173.08226	1.3
173.22678	1.1
183.13988	2.2
185.11850	54.5
186.12160	2.0
193.12418	1.6
197.11847	48.1
198.12202	2.3
209.11824	8.9
211.13400	1.9
238.12366	1.1
247.20630	1.2
291.19672	14.0
292.19995	1.1
309.20740	29.7
310.21280	2.5
327.21786	100.0
328.22086	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	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.8
58.00601	0.9
59.01383	0.8
67.31193	0.6
69.03460	0.6
69.80231	3.0
71.01383	1.0
72.88328	0.6
73.82944	0.5
81.03458	0.7
83.05040	0.9
85.02952	4.8
95.05060	1.5
97.02982	0.6
97.06597	6.5
98.21826	0.7
103.40051	0.6
110.03751	0.6
125.09713	1.6
127.11304	2.3
150.43117	0.6
155.10831	1.4
155.14458	1.2
165.12874	1.1
167.14389	1.6
171.10284	9.9
175.11282	0.7
177.12837	1.6
183.13890	5.4
185.11865	1.0
193.12376	2.7
197.11844	0.8
203.10980	0.6
209.11774	2.0
211.13411	32.2
212.13757	1.2
221.11829	4.2
229.14459	16.9
229.16716	1.0
230.14745	0.6
239.12877	3.4
247.20659	0.8
291.19684	4.1
309.20682	1.5
327.21780	100.0
328.22131	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	327.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
57.79825	0.7
58.00605	1.6
58.18258	0.7
58.82486	0.8
59.01388	3.9
69.03466	0.9
71.01395	1.1
73.02953	1.8
80.00256	0.7
83.05030	0.9
85.02946	1.5
93.07086	0.9
97.06605	2.9
107.08660	3.3
111.67915	0.6
119.08638	1.2
125.09750	7.1
127.11307	9.6
137.09712	2.2
139.11334	1.1
152.28987	0.7
154.03477	0.7
155.10826	4.2
157.12363	1.0
162.57175	0.7
162.58572	0.8
165.09187	3.2
170.42587	0.7
171.10287	14.7
172.10583	0.8
183.10294	1.8
183.13924	2.0
193.15958	1.9
199.09778	3.3
201.11342	79.1
202.11694	3.5
211.13481	3.9
229.14398	2.1
261.18475	1.3
273.18631	2.6
283.19290	0.9
291.19714	1.9
297.20755	2.4
302.40506	0.9
309.20755	4.7
312.06485	1.2
327.18234	9.0
327.21762	100.0
328.18658	1.1
328.22137	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	327.2181
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
56.60124	1.5
59.01403	2.2
68.10168	1.5
71.01403	2.3
80.97546	1.5
83.05018	2.5
85.02946	4.6
97.06593	5.3
125.09716	1.8
127.11285	3.3
149.02483	3.5
163.11581	1.7
167.14397	1.7
171.10342	10.2
175.04095	3.0
183.13940	3.4
184.86626	1.6
191.46771	1.7
193.12375	1.8
198.46584	1.4
201.52396	1.7
209.11871	2.2
211.13400	29.8
213.13641	1.7
221.11906	2.5
229.14465	15.1
239.12924	2.9
242.54347	1.5
251.07304	1.8
269.08206	1.8
279.06760	1.8
291.19669	5.8
297.07693	8.9
309.11279	2.9
309.20459	1.6
312.09991	6.1
327.12567	8.3
327.21786	100.0
328.22165	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	327.2544
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
52.40533	1.8
56.65904	1.6
57.78572	1.7
60.24863	1.5
69.14200	14.9
91.51096	1.8
118.91605	1.7
124.51055	1.6
133.03935	1.7
133.69397	1.6
146.87598	1.7
156.17465	1.8
185.00797	2.4
192.16817	1.7
211.92146	1.6
265.25378	80.9
266.25720	10.3
309.24393	24.4
310.24698	3.5
327.18222	3.7
327.18854	3.0
327.21964	5.4
327.25430	100.0
328.25668	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	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35988	0.7
59.01382	40.2
61.98840	2.3
64.71539	0.7
70.78531	1.1
102.10195	0.7
115.02530	2.3
117.00461	2.3
141.00380	0.7
143.02028	4.5
144.02040	0.6
157.03615	1.6
159.01514	59.7
160.01712	3.6
170.97874	1.9
185.01184	3.9
186.00743	6.0
187.01004	100.0
188.00998	8.8
201.02579	13.8
202.02817	1.4
244.30138	0.7
290.07498	0.7
329.02206	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	329.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53148	0.5
51.75038	0.4
55.01864	0.5
57.03449	0.5
58.99555	0.5
59.01388	3.8
64.04152	0.4
69.63687	2.2
71.01389	10.0
72.84491	0.4
73.02950	3.3
83.01420	0.9
85.02968	3.6
87.00893	0.9
87.05686	0.6
89.02457	1.1
95.01361	0.5
98.21868	0.5
99.00908	1.2
99.04524	0.6
101.02454	5.4
107.04996	0.5
108.02205	3.2
109.02967	1.2
113.02475	4.0
121.02970	1.8
122.03760	100.0
123.04615	12.4
127.05121	0.5
129.10332	0.6
135.04552	1.5
136.07733	0.8
137.02464	1.3
137.06088	1.8
143.03563	0.5
147.04567	1.3
150.05664	4.2
152.01167	1.0
152.07225	0.4
159.01514	1.7
159.03012	1.2
161.04593	9.5
165.05618	5.3
167.03505	2.6
171.01463	0.8
177.05603	2.0
186.98628	0.5
187.00990	3.0
229.00259	0.5
269.10037	0.8
285.09909	1.3
312.11060	1.1
329.08920	3.4
329.18292	0.7
330.12064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.12494	0.5
59.01368	0.9
69.94504	2.2
71.01380	1.5
77.04299	0.5
88.04043	1.3
91.95675	0.4
93.99624	0.6
98.83549	0.6
108.02188	65.1
109.02522	2.1
120.97626	0.5
123.04543	23.9
124.04887	1.7
132.96950	0.5
136.64755	0.6
152.01169	44.7
153.01512	1.9
167.03513	100.0
168.03848	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1147
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
52.52020	0.8
53.00856	1.1
57.03455	1.4
59.01102	1.2
59.01383	19.5
64.80692	0.9
69.94128	0.9
71.01376	3.1
71.87612	0.9
73.02930	2.8
81.73522	1.0
82.02990	10.5
82.64406	0.8
83.01395	3.0
87.00887	1.3
93.98212	0.9
99.12760	1.0
101.02486	1.2
106.06647	10.8
108.04567	2.1
110.02495	2.1
113.02509	0.9
122.06138	2.3
131.09534	1.1
132.04564	34.5
133.05373	1.5
134.06136	46.3
135.06447	1.7
136.04054	3.2
138.05681	1.2
148.04106	2.2
149.02545	1.6
149.04826	2.8
160.04054	23.3
161.04834	35.0
162.05627	98.3
163.05960	5.0
176.03566	4.4
193.03813	63.4
194.04271	2.2
207.13892	3.0
210.05624	1.0
212.07224	7.3
213.07930	3.1
214.08777	6.4
225.15033	1.7
226.08873	1.8
227.12894	7.2
240.10243	1.4
241.06181	9.4
242.06801	1.6
242.11909	5.3
243.11372	4.6
255.07793	1.1
257.09332	11.4
268.09744	3.7
269.09335	7.8
285.12473	100.0
286.12787	7.7
293.14087	1.5
311.10376	11.4
329.11469	92.0
330.11801	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	329.1244
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	1.8
56.78981	0.9
56.89555	0.9
57.03452	1.7
58.00598	4.3
59.01386	100.0
69.30862	7.1
71.01389	60.1
72.01709	1.1
72.99307	5.4
73.02944	2.6
79.95757	3.1
80.96532	1.4
83.01385	3.6
84.02193	0.8
85.02971	11.4
85.18375	1.0
87.00877	3.6
89.02454	78.0
95.01401	4.4
96.89789	1.0
101.02457	32.6
101.06107	2.9
113.02463	21.3
116.07178	1.8
119.03522	27.9
131.03517	2.1
134.03758	17.7
135.04031	1.5
136.99199	1.4
142.62238	0.9
143.03532	1.6
146.16925	1.1
149.04843	1.7
149.06102	19.8
152.01144	1.4
152.04846	2.8
161.04591	2.1
164.98727	1.7
167.03499	4.2
167.07112	6.0
179.05626	2.2
182.99696	4.1
329.12576	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	329.1247
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	2.8
57.03434	2.8
58.00581	1.9
59.01384	58.3
60.01682	1.4
60.24789	1.0
65.03963	2.7
67.01881	1.4
71.01387	31.9
72.99299	3.8
73.02921	3.8
74.25657	0.8
75.00844	1.2
79.05529	4.0
81.03445	3.0
83.01396	4.3
85.02962	17.2
87.00865	2.8
88.04028	1.7
89.01958	1.4
89.02455	20.7
95.01373	3.4
101.02449	16.8
105.07074	3.3
109.06631	1.0
113.02457	9.8
119.03511	7.9
121.02944	3.3
121.06593	4.0
123.08188	4.5
130.08727	2.5
133.06538	1.0
139.07619	3.3
147.04521	1.2
149.06076	9.9
150.03156	2.6
158.03648	1.2
159.04546	5.5
160.05324	11.3
161.06094	5.2
163.03976	2.2
163.07645	1.5
166.02727	2.0
167.07153	38.5
168.07516	1.6
173.06091	1.0
175.07661	8.9
176.08081	1.2
177.05537	2.8
178.06407	1.7
185.08176	2.8
207.13879	1.5
209.08131	1.8
209.11760	1.5
216.48724	0.9
218.43935	1.0
225.14975	1.4
227.12828	3.4
243.10550	1.5
291.54962	1.0
329.12390	100.0
330.12836	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26701	0.7
53.95500	0.7
57.03478	0.8
59.01386	100.0
60.01741	1.0
65.00309	0.9
69.70480	1.8
69.70867	1.7
71.01389	7.6
73.02963	1.5
83.04939	0.8
85.02963	3.5
87.00877	1.6
89.02460	3.9
93.03471	1.8
94.42353	0.6
95.01421	0.7
99.00900	0.9
101.02455	5.4
106.79883	0.8
110.50782	0.7
113.02478	4.5
115.45206	0.7
119.03557	1.2
130.07817	0.8
130.08813	2.1
161.04643	4.4
167.03539	2.6
168.03049	3.1
173.04628	1.6
178.20474	0.8
231.73160	0.7
269.10474	2.4
286.17725	1.2
329.12570	2.1
330.08447	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
51.20866	0.7
56.47432	0.7
59.01392	2.5
69.36117	3.6
71.01376	0.7
74.25473	0.6
93.03463	1.2
95.09303	0.7
98.21822	0.7
107.05040	0.7
109.03014	0.8
111.00915	1.2
111.53051	0.6
112.10475	0.6
115.05564	2.0
121.02963	15.7
122.03782	3.9
123.00901	2.5
123.04562	1.9
124.01682	2.5
130.04260	1.2
131.05040	1.9
132.05844	0.8
136.01672	0.7
136.05330	3.0
137.02484	1.8
137.06105	1.6
143.05049	2.9
145.02982	2.5
146.03781	1.0
147.04539	12.3
149.02469	5.0
149.06110	0.9
150.03241	17.3
151.03926	1.2
153.05573	1.7
154.02771	0.8
158.03748	17.1
159.04533	45.6
160.05315	100.0
160.84998	0.8
161.06102	42.2
162.03354	0.8
162.06430	1.9
163.04027	17.0
164.04808	16.8
165.05328	0.7
168.04283	1.1
173.06093	13.8
174.06810	1.0
175.07657	79.4
176.04811	1.1
176.08023	4.1
177.05585	20.8
178.06374	19.9
179.06717	1.0
191.07162	1.3
192.07906	2.1
193.08704	9.6
207.10068	0.8
211.55391	0.6
227.12938	0.9
228.47562	0.7
229.67377	0.8
229.84026	0.7
241.40379	0.7
299.13086	0.8
314.11511	2.7
329.13962	97.0
330.14386	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	329.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13770	0.9
55.01880	1.0
57.03456	2.1
59.01387	100.0
60.01719	1.0
69.21292	0.7
71.01397	8.0
71.28506	1.5
71.41559	1.0
73.02962	11.5
78.46375	0.8
83.01398	16.5
87.00887	1.6
101.02455	1.9
104.53594	0.8
109.06609	3.3
165.12863	1.2
189.12817	2.1
191.10951	0.9
207.13910	25.1
208.14281	1.4
209.11925	1.8
225.14986	15.3
226.15382	1.4
227.12921	49.4
228.13263	3.0
231.13910	1.0
233.11833	2.5
249.15016	1.7
251.12959	7.3
269.13980	4.7
293.14026	9.7
294.14493	1.7
311.15073	4.1
325.07190	1.1
329.15994	3.2
337.61060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.67467	1.3
59.01371	1.7
59.52845	1.2
61.98833	2.5
71.28355	2.6
79.76431	1.3
93.21244	1.5
106.40005	1.3
119.94777	1.5
132.19972	1.2
156.76324	1.4
159.93935	1.3
201.09184	3.9
214.09950	1.7
224.68863	1.2
285.18640	100.0
286.18921	9.9
290.49350	1.4
329.17639	5.5
329.23361	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92208	0.6
58.00598	0.9
59.01395	1.0
70.59018	1.1
70.59373	1.4
73.02915	0.8
75.45094	0.6
76.74767	0.6
83.05016	0.6
84.02193	0.7
112.72946	0.6
125.09756	6.2
127.11294	9.5
129.09142	0.6
137.09764	1.1
139.11324	9.6
155.10799	3.5
157.12326	1.0
165.09219	2.5
171.10298	37.5
172.10667	1.8
183.10233	1.3
185.11829	0.9
199.09758	2.0
201.11351	34.3
202.11714	1.6
211.13387	0.8
275.20105	1.4
293.21255	4.6
311.22202	2.0
329.23364	100.0
330.23660	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	329.2339
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
51.75357	0.4
57.03439	1.1
58.00594	0.4
59.01378	1.1
69.03456	1.0
69.13279	3.5
71.01382	0.5
71.05025	0.7
83.05000	0.6
84.02133	0.4
85.02950	0.5
85.06580	0.4
91.49034	0.4
96.96100	0.3
97.06588	0.5
98.22593	0.7
99.08169	4.5
101.54162	0.5
103.84722	0.4
124.08511	0.4
125.09715	1.4
127.11323	2.3
129.09244	0.7
139.11320	1.2
155.14421	0.7
158.02473	0.4
167.14403	1.2
171.10280	5.5
183.13933	6.9
193.12349	2.0
199.13451	0.9
201.11375	0.5
209.10039	0.4
209.11852	1.8
211.13414	32.8
212.13737	2.0
229.14452	18.6
230.14883	0.9
239.16539	0.6
259.15555	1.2
293.21228	1.5
311.22244	2.3
329.23361	100.0
330.23712	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	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
52.78277	0.6
58.00596	1.3
59.01381	1.6
70.46472	0.6
70.50370	1.4
70.50684	0.7
78.64525	0.6
93.38490	0.7
93.57565	0.6
97.12000	0.6
121.10286	0.9
125.09769	3.4
127.11311	9.1
137.09761	0.9
139.11331	5.4
155.10771	4.9
157.12402	1.0
165.09203	1.3
171.10292	41.0
172.10608	2.1
183.10284	1.1
185.11774	0.9
199.09761	1.4
201.11343	27.3
202.11662	1.7
275.20187	1.7
293.21289	2.2
311.22366	2.1
313.00812	0.8
329.23355	100.0
330.23651	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	329.2337
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03457	1.3
69.43000	5.3
97.44735	0.7
99.08173	6.6
102.93001	0.8
125.09777	1.9
127.11288	3.4
167.14444	2.1
171.10287	4.0
183.13925	5.4
193.12372	2.2
209.11821	2.0
211.13419	39.8
212.13757	3.5
225.15022	0.8
229.14465	19.7
230.14899	1.5
236.36008	0.8
269.21985	0.9
311.22272	1.3
329.23364	100.0
330.23685	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.64518	0.4
57.03454	1.2
59.01381	1.6
69.40693	3.1
70.06873	0.5
97.06598	0.7
98.22607	0.6
99.08170	3.0
113.02379	0.5
125.09730	4.7
127.11321	6.3
137.09718	0.7
139.11302	1.9
155.10764	2.4
155.14482	0.7
157.12387	1.0
165.09195	2.0
167.14352	1.1
171.08983	0.9
171.10309	10.2
177.45364	0.5
183.10342	0.8
183.13922	3.3
191.03622	0.6
193.12405	1.2
199.09846	1.5
201.11339	28.1
202.11726	1.6
209.11919	0.8
211.13416	17.9
212.13809	0.9
229.14482	7.8
237.52864	0.5
263.20255	0.6
286.80066	0.6
293.21280	3.0
311.22287	3.7
329.23367	100.0
330.23709	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	330.12
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.01875	0.8
57.73834	0.8
59.01396	9.9
59.79827	0.8
68.99817	2.1
71.01395	6.6
71.25055	0.9
71.72996	0.8
72.99334	1.4
73.02957	1.7
73.74342	0.7
83.01399	1.0
85.02975	4.9
86.00131	3.9
87.00893	19.6
89.02459	3.8
93.03469	0.8
96.00917	0.9
99.00901	2.5
101.02454	3.2
101.54657	0.7
103.08375	0.7
107.03780	2.1
108.04568	1.8
111.00885	1.3
113.02467	3.0
114.72128	0.7
121.05342	2.3
122.02517	0.7
122.06145	41.5
124.00426	1.7
124.04066	1.4
125.02496	1.4
129.01958	1.2
130.08728	1.2
134.06140	4.8
135.03284	1.1
136.04065	1.6
136.07707	17.2
137.08109	1.0
138.05666	1.5
140.03564	1.0
146.06085	1.7
148.04173	1.0
148.07721	1.0
149.04836	2.4
150.05634	100.0
151.05983	3.5
152.07199	8.2
153.01945	3.1
157.18863	0.8
158.06148	1.3
159.03165	1.3
161.04752	0.9
162.05620	3.4
164.07188	3.5
168.03032	1.4
168.04294	1.3
168.06697	1.7
174.05663	1.9
175.06410	4.4
176.07170	7.1
192.06798	1.2
194.08266	4.1
201.49292	0.9
204.06668	2.8
222.07718	4.8
252.08784	2.1
270.02560	1.9
300.10999	1.5
312.10956	51.5
313.11246	3.8
330.04840	6.5
330.11978	23.6
330.14963	0.9
331.12454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2039
Annotation	Ile Leu Ser
Peak:m/z	Relative Intensity
54.79002	2.7
57.97568	2.8
59.01378	5.8
70.56747	8.8
71.01407	4.3
72.00923	5.6
74.02486	100.0
82.06628	5.9
86.02497	3.0
104.02913	3.8
104.03559	45.6
107.52811	3.0
113.02482	3.3
116.07193	9.6
124.07708	3.1
129.10364	47.2
139.08797	9.2
139.95494	2.7
143.11934	32.3
152.07164	5.7
153.01952	5.6
153.05087	3.7
155.11940	36.6
167.03505	4.3
168.04358	3.4
173.12962	3.4
195.15059	11.1
197.16661	15.8
225.16077	35.1
243.17137	16.7
256.20364	31.6
268.20309	34.8
285.84433	2.8
286.21387	7.2
295.13083	14.8
300.19363	87.5
301.19666	6.1
312.15686	7.0
312.19220	3.7
330.20422	89.1
331.20654	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	330.204
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
59.01352	0.5
66.03465	0.4
70.79009	0.5
71.02510	1.0
71.27421	0.8
72.00935	0.6
72.14737	0.4
73.04079	12.3
82.06634	2.9
83.02532	2.0
84.08185	1.1
97.06602	0.7
103.05157	1.1
112.07730	0.9
112.52917	0.5
114.09227	0.6
125.10943	0.5
129.10356	2.3
130.08760	100.0
131.09123	2.6
139.08791	2.2
140.07185	7.3
141.10373	4.2
143.11920	2.0
155.86435	0.5
167.03432	1.0
168.03990	0.7
169.08519	0.8
169.09850	7.5
172.84911	0.5
181.09882	1.7
182.08295	1.2
182.15509	4.6
186.12540	0.7
199.10922	12.5
199.18190	37.4
200.11336	0.7
200.18477	2.0
204.35426	0.6
238.13315	0.6
243.17210	2.8
256.20343	16.0
257.20660	0.6
300.19345	14.7
301.19571	1.2
312.19336	2.7
315.52368	0.4
330.20380	80.1
331.17316	0.7
331.20764	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	330.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45497	0.5
61.49349	0.5
70.76147	0.5
71.02525	1.2
73.04076	14.8
82.06630	3.6
83.02532	2.4
84.08189	1.0
85.34251	0.5
93.48309	0.5
97.06618	0.7
98.22640	1.0
99.30631	0.5
103.05175	1.5
104.03544	0.6
112.07712	1.2
129.10370	1.7
130.08757	100.0
131.09102	3.3
139.08771	4.1
140.07199	7.7
141.10391	3.8
143.11906	2.3
153.01959	0.6
168.03859	0.6
169.09850	8.1
170.10118	0.7
181.09959	2.5
182.08202	0.7
182.15538	3.4
186.12563	1.0
198.12404	0.6
199.10899	11.6
199.18178	42.4
200.18480	2.7
243.17142	3.0
256.20361	15.9
257.20761	1.2
263.70578	0.6
300.19324	14.4
301.19641	1.5
312.19330	2.7
330.20380	82.7
331.20721	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	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.04730	0.7
55.44770	0.8
57.03453	0.9
63.12180	0.7
69.03460	1.8
69.38415	5.3
75.17188	0.8
79.01962	0.7
80.53916	0.8
81.03462	1.7
81.08137	0.8
83.01419	4.1
93.18001	0.8
95.01401	1.2
97.02962	2.8
98.21848	1.2
102.52690	0.8
103.45796	0.7
107.01384	3.6
108.40668	0.8
110.00135	1.4
123.00906	4.3
124.01688	15.1
125.02474	70.9
126.02833	1.7
128.03548	1.5
137.02440	1.1
137.99591	1.0
149.99619	25.0
151.00407	10.9
153.01967	18.3
154.02541	0.9
165.01872	0.8
167.03535	2.3
168.00671	61.2
168.04309	8.1
169.01451	9.4
169.05098	1.6
175.00389	0.9
179.03709	0.9
182.99359	0.8
193.01474	1.9
259.69730	0.8
280.47522	1.0
302.34381	1.0
313.05786	6.6
331.06769	100.0
332.07138	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	331.104
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03470	0.4
59.16891	0.3
69.36992	2.2
69.86846	0.3
71.01384	1.9
72.99330	0.4
73.02959	0.7
82.00608	0.7
83.01437	0.4
85.02969	1.9
97.02966	0.6
98.21790	0.4
101.02483	1.3
110.00120	7.5
113.02516	1.6
113.82695	0.3
114.02843	0.4
118.57938	0.4
123.00910	0.7
124.01668	2.8
125.02478	14.7
135.52254	0.4
137.99626	9.2
139.00423	3.2
148.14647	0.4
149.02509	0.3
149.17032	0.3
149.99634	3.9
151.00296	0.6
152.01180	1.6
153.01973	100.0
154.02530	5.1
155.03540	1.1
161.04556	1.5
166.02797	0.5
167.03523	8.7
168.00674	8.3
168.04318	47.6
169.01366	1.0
169.05098	10.8
170.05402	0.8
179.03511	0.7
181.01442	0.4
191.03514	0.6
196.03813	0.5
209.04549	0.7
211.06134	0.7
280.52075	0.4
313.05661	0.9
314.06326	0.4
316.07837	0.5
331.06738	13.5
331.10458	2.9
332.07037	0.9
332.10675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56591	0.5
59.01388	0.4
64.78366	0.4
69.37726	1.1
69.38149	1.6
71.01383	1.6
72.07648	0.4
82.00603	0.7
83.01387	0.5
85.02947	2.4
86.96745	0.4
98.22421	0.6
101.02461	0.7
110.00113	6.4
113.02483	2.2
123.00858	0.6
124.01632	0.8
125.02469	6.8
136.01642	0.6
137.02530	0.6
137.99625	9.8
138.03236	0.7
139.00447	2.3
140.01170	0.8
143.93044	0.4
151.00412	0.5
152.01134	3.0
153.01958	100.0
154.02524	4.7
155.03496	1.5
161.04646	1.0
164.82047	0.5
166.02740	0.8
167.03506	11.6
168.04303	52.7
169.05087	8.9
177.02074	0.6
179.03484	0.7
181.05020	0.6
191.03461	0.7
209.04573	0.6
211.06207	1.0
299.07657	0.5
331.10446	3.9
344.10162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.7
68.09302	0.5
69.02453	0.5
69.23320	3.6
71.01385	6.7
72.99301	0.7
85.02957	1.5
87.00885	0.8
89.02451	5.1
95.01414	0.6
96.08201	0.9
97.01698	1.0
98.92451	0.5
101.02452	3.5
109.01708	0.6
109.05402	0.8
113.02441	2.3
114.52929	0.5
119.03538	2.3
119.05004	0.9
123.03267	0.7
124.07690	7.5
125.52019	0.5
137.04887	2.7
140.07211	1.5
152.07188	100.0
153.07570	3.4
161.04550	0.6
163.03993	0.6
170.08244	1.7
185.02271	1.0
212.48465	0.5
311.27936	0.5
332.13507	5.1
351.83704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95713	13.1
59.01388	59.2
61.28537	12.3
67.18276	11.3
69.11112	100.0
69.59004	12.3
71.01389	35.5
73.02921	12.6
85.02995	16.6
89.02480	18.2
98.21767	20.0
101.02454	22.1
113.02458	27.0
131.23627	11.4
189.14995	14.4
297.28577	12.7
333.19196	17.4
346.27841	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	333.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	56.1
61.98844	2.0
70.65060	1.1
70.65390	1.8
71.01390	11.2
72.99322	2.1
78.95922	3.9
83.01382	1.7
85.02944	1.7
87.00893	3.3
89.02452	5.4
90.96615	1.1
90.97140	6.7
99.00900	2.3
100.98804	6.4
101.00958	1.1
101.02462	3.4
104.98730	4.1
110.02506	1.8
112.04077	5.6
113.00896	0.9
113.02475	2.0
115.00432	1.2
117.00462	4.1
118.96646	4.1
119.00307	2.4
119.03494	2.9
127.97546	2.7
132.98210	28.1
133.05087	15.2
136.04010	2.2
141.00476	1.5
142.99863	1.8
143.02023	1.1
143.43050	1.0
146.99780	100.0
148.00136	1.5
148.97673	1.6
148.98698	2.0
152.03523	1.3
152.99583	2.6
154.05106	1.4
160.97774	2.5
161.01341	35.5
171.01566	2.3
171.05020	1.2
172.97758	1.4
174.96683	3.1
174.99269	65.3
175.02457	11.5
175.99646	1.4
189.00824	47.5
190.94318	2.5
190.98784	2.9
195.01549	1.8
198.95604	10.4
201.02562	3.0
205.00270	1.6
214.07288	1.5
217.00284	3.9
218.98184	1.9
232.99809	1.9
241.00996	1.5
244.99791	9.0
261.04608	2.1
263.00836	3.3
272.99332	9.9
273.04657	6.0
273.08295	5.3
274.05032	1.1
288.99048	1.3
290.97009	2.0
320.08670	1.0
332.98224	5.7
333.06238	3.7
333.10541	4.0
334.10986	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0599
Annotation	GroPIns
Peak:m/z	Relative Intensity
69.93096	1.3
75.54858	0.3
78.95911	100.0
85.41695	0.3
96.72264	0.3
96.96969	18.0
107.60796	0.3
150.98038	1.2
152.99602	74.6
153.99953	1.3
171.00670	8.0
223.00110	0.5
241.01210	38.6
242.01587	0.9
259.02350	1.9
260.89975	0.3
273.04721	1.0
333.05942	84.7
334.06186	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	333.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97900	5.8
59.01379	34.5
67.14853	6.9
71.01395	24.3
71.25587	7.2
78.95915	88.7
85.02967	11.7
89.02457	24.7
94.22871	6.2
96.96992	28.4
101.02429	8.5
113.02473	12.7
115.00388	8.8
119.03540	7.3
152.99600	83.4
159.01012	8.9
187.79878	6.9
191.05635	15.4
241.01129	37.1
273.04739	13.7
285.38168	6.4
297.11899	16.1
333.06067	100.0
333.09717	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	333.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62387	1.0
59.01391	6.0
66.44373	1.0
71.01383	4.8
73.02957	1.4
78.03468	1.2
85.02974	3.3
92.05077	1.5
94.06643	4.9
101.02468	3.7
104.05051	3.1
105.03499	2.1
106.06645	15.9
107.03693	1.1
108.04556	1.9
113.02441	2.2
115.43309	1.1
120.04568	6.1
122.02479	1.4
122.06142	16.3
123.03343	2.7
131.00836	1.1
132.04568	8.9
138.05621	25.9
150.05650	2.1
153.09253	1.3
175.55127	1.1
177.71246	1.0
215.11801	1.8
217.07512	1.1
226.07628	1.4
229.07620	1.3
241.09842	2.5
243.39114	1.4
271.10760	1.3
279.24246	1.4
289.11966	100.0
290.12396	8.6
333.10910	8.0
333.14645	2.4
356.18396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17279	2.0
59.01384	100.0
70.80733	3.5
70.81066	3.6
71.01399	4.1
85.02938	2.6
91.52576	2.3
96.71252	2.1
101.02467	3.8
127.96414	2.1
291.18152	3.2
333.13663	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.4
59.01384	100.0
65.44782	2.1
65.64852	2.3
69.03455	3.4
69.22457	17.7
71.01384	30.8
72.99303	2.9
78.95912	2.5
79.57951	2.3
85.02965	7.8
87.00874	4.4
89.02445	33.7
93.03473	2.9
95.01403	5.4
96.52422	2.4
97.02964	7.3
101.02446	14.0
109.02937	3.8
111.04526	6.4
113.02457	49.6
119.03511	11.2
134.67538	2.4
137.02455	23.1
143.03606	3.0
154.99883	17.1
155.03531	7.4
161.04544	3.8
179.05646	16.3
200.73833	2.2
335.06146	3.4
335.09763	3.4
335.13580	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	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64832	1.1
55.01883	4.3
55.06108	1.2
57.03444	2.9
58.00597	4.2
59.01386	100.0
67.12154	1.2
69.03459	1.2
70.66103	2.0
70.66451	1.9
71.01391	77.9
71.05040	1.2
72.01711	2.1
72.99305	5.3
73.02950	12.6
75.00874	2.1
75.92125	1.3
76.99522	1.6
78.95962	1.2
81.03439	1.2
83.01385	6.9
85.02962	26.5
87.00899	6.8
89.02454	59.8
93.03485	1.3
95.01406	6.6
99.00900	6.0
99.04530	3.2
101.02457	45.0
102.02795	1.3
107.55725	1.3
111.04539	2.7
111.08170	2.2
113.02469	29.5
115.00577	1.1
115.01575	1.1
115.04017	2.1
119.00195	2.8
119.03511	24.2
129.05605	3.7
131.03551	2.9
131.07170	1.4
137.02477	2.5
143.03525	5.4
147.04716	1.3
149.04532	1.6
150.94872	6.7
151.26709	1.2
154.99931	5.0
155.03500	2.8
155.07149	2.3
159.03067	3.2
161.04591	18.6
173.08197	7.5
176.98091	11.0
179.05626	4.9
185.01190	1.6
191.05659	4.7
192.95872	48.9
218.96521	1.2
245.03523	1.8
271.19894	1.3
275.00882	4.8
275.08362	8.3
275.11093	1.6
289.02405	2.5
318.15729	2.3
323.61914	1.4
335.09998	4.6
335.13556	40.2
336.13791	2.0
336.16891	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	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40027	1.1
57.03444	2.3
58.00585	4.7
59.01387	94.9
60.01690	1.7
70.66231	1.8
71.01390	50.8
71.56773	1.3
72.99310	6.3
73.02956	1.6
75.00879	2.9
76.28004	1.0
76.49355	1.4
83.01406	2.7
84.28768	1.1
85.02961	18.5
87.00890	3.4
88.36848	1.1
89.02457	59.1
95.01411	3.1
99.00888	1.5
101.02456	39.5
113.02470	20.3
114.01944	1.2
119.03513	29.7
124.71465	1.2
131.03569	1.3
137.06056	1.7
143.03487	3.2
149.04613	2.3
154.43854	1.1
155.07149	7.6
161.04532	2.6
173.08208	4.2
179.05652	5.5
192.95932	2.1
249.06133	1.5
277.35291	1.2
335.10092	4.1
335.13507	100.0
336.13812	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	337.0778
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
51.99140	0.4
53.04158	0.5
57.03428	0.9
59.01377	2.0
67.42290	0.5
68.99831	3.2
71.01386	2.7
71.24782	0.7
72.99310	0.6
73.02978	1.2
73.40781	0.5
75.00864	0.9
83.01388	1.8
85.02957	6.4
87.00885	2.2
89.02444	0.5
95.01392	1.4
97.02937	0.6
99.00890	4.6
99.22107	0.6
101.02467	1.1
101.40141	0.5
111.00874	2.1
113.02444	5.4
113.99603	19.3
115.00385	7.4
127.00353	3.0
129.01962	3.0
133.01447	1.6
139.00391	0.7
141.01924	0.5
157.01442	4.4
169.01445	1.1
174.01718	17.2
175.02402	2.2
216.46335	0.5
239.19916	0.6
255.77525	0.6
277.05682	18.6
278.05954	0.9
336.02750	0.6
337.07779	100.0
338.08130	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	337.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33366	0.3
55.01891	0.5
57.03449	0.9
59.01390	2.7
68.98071	3.7
68.99827	2.9
69.03452	0.9
71.01397	2.9
72.99303	0.5
73.02942	1.2
75.00867	1.5
82.30875	0.3
83.01395	2.0
85.02964	5.7
87.00896	2.4
89.02449	0.6
95.01392	1.2
96.99329	0.6
97.02983	0.8
99.00891	5.5
100.12643	0.4
101.02478	2.4
111.00937	2.4
112.98838	0.7
113.02460	6.4
113.99606	20.7
115.00400	7.2
117.01946	0.4
125.02470	0.5
127.00412	2.9
129.01942	2.3
139.00343	0.8
141.01936	0.8
153.97675	0.4
157.01448	4.5
157.06042	0.4
169.01448	1.5
174.01718	19.6
175.02446	2.0
183.09044	0.4
209.06548	0.4
277.05676	21.5
278.06067	1.1
293.72586	0.4
337.07803	100.0
338.08136	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	337.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87971	0.2
57.03458	0.2
59.01384	3.0
60.99302	0.3
63.47671	0.2
65.43373	0.2
67.01888	0.9
68.97509	1.9
69.03456	0.5
69.66177	0.2
71.01385	2.0
73.02935	0.3
74.80137	0.2
75.00889	0.2
78.31683	0.2
81.03481	0.4
83.01373	0.2
83.05042	0.4
85.02959	8.3
86.03269	0.2
87.00885	2.9
89.02438	1.3
93.03466	7.2
94.03810	0.4
99.04517	0.4
101.02460	0.9
109.02964	0.6
111.00908	1.2
111.04551	1.8
113.02472	0.7
116.05030	0.2
119.03533	0.4
119.05039	2.3
120.05392	0.2
127.04012	1.8
129.01962	0.4
145.02959	0.9
155.03526	0.3
155.22516	0.2
160.01678	0.2
163.04015	2.7
171.03030	0.4
173.00885	0.2
173.04546	2.6
191.05629	100.0
192.05968	4.0
236.29602	0.2
337.08978	1.4
337.14868	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	337.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53635	1.3
57.03441	1.5
59.01387	100.0
60.01723	1.8
61.98816	1.5
68.99837	1.4
71.01388	31.4
71.25998	2.0
72.99311	3.6
73.02946	5.3
75.00868	4.7
78.95908	2.6
83.01372	2.9
85.02960	13.2
87.00887	4.2
87.04530	17.5
89.02462	29.9
93.03484	2.2
95.01389	2.6
97.02988	1.3
99.00888	3.9
101.02459	15.3
109.02947	2.0
113.02452	15.9
113.99603	4.6
114.98582	1.7
115.00429	1.6
115.04028	3.8
119.03551	11.6
119.05030	13.7
129.01981	1.7
135.04558	1.9
136.94022	6.3
143.03474	2.0
150.94833	2.9
150.98959	1.8
152.91754	2.9
152.94545	1.9
153.00529	1.7
155.03535	1.3
157.01399	2.0
159.02979	1.8
161.04561	9.6
163.04025	23.6
166.98393	1.4
169.28969	1.2
173.04495	1.4
174.01758	3.7
175.09798	2.9
178.95091	4.2
178.97690	6.8
179.05638	5.0
180.05281	3.3
183.34895	1.4
191.05632	3.5
192.95879	10.6
192.99814	1.4
193.96147	1.4
194.92821	3.9
194.95566	24.2
195.01474	2.9
208.93839	3.7
210.91779	2.6
219.11237	1.2
249.06050	3.0
250.94887	4.1
252.92838	4.3
277.05710	4.6
277.09039	1.7
294.93967	11.2
336.94257	7.1
337.03992	1.8
337.07819	20.1
337.11411	8.6
337.15201	4.8
338.08221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31750	0.8
57.03437	1.2
58.00617	0.8
59.01098	1.1
59.01386	17.4
59.62119	0.7
62.20382	0.7
65.62669	0.8
66.96748	0.6
67.01893	0.7
68.99836	1.1
69.03422	0.8
69.38738	5.0
71.01390	12.3
72.99317	5.1
73.02945	1.4
74.77866	0.7
75.00883	17.5
85.02963	14.6
87.00893	6.6
87.04524	100.0
88.04855	2.5
89.02453	4.5
93.03501	1.0
95.01403	3.1
98.21773	0.8
99.00886	8.1
101.02499	1.2
103.00372	2.0
113.02465	20.3
115.00359	2.1
117.01952	2.9
119.05032	2.1
129.01976	1.3
133.02896	1.1
157.01389	1.1
157.08745	0.8
163.04015	2.5
175.02524	2.0
175.09740	1.0
191.05640	0.9
231.05072	2.3
249.06161	14.6
271.10818	1.9
277.09387	1.3
285.49478	0.7
319.10257	2.7
337.11447	51.3
337.15073	5.3
338.11841	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
66.53931	0.9
67.01891	1.6
69.04659	3.7
69.05089	5.7
71.01387	10.5
72.99313	1.2
73.02937	1.1
78.81625	0.8
83.01389	1.2
84.88686	1.1
85.02956	5.2
86.28233	0.9
87.00868	2.5
87.04522	2.6
89.02447	10.4
93.03458	6.0
99.94629	0.9
101.02439	6.4
113.02444	5.3
119.03522	3.4
119.05035	2.6
134.06145	1.8
136.07675	2.6
143.03532	1.0
157.08661	1.4
161.04599	1.6
161.75352	1.0
163.04018	3.0
164.07213	5.3
171.39108	1.0
173.04539	2.9
175.09779	1.0
179.05696	1.8
191.05641	25.5
192.06018	1.1
206.08168	1.4
211.69485	1.2
233.09291	2.2
234.07765	5.9
235.07945	1.1
248.19617	1.2
254.15588	1.2
260.53619	1.1
276.08136	1.4
277.00467	1.5
277.12820	1.6
319.13016	2.4
337.11609	1.3
337.15030	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.70860	3.5
71.01389	9.4
73.02931	1.0
75.00843	1.9
83.01378	1.0
85.02972	7.2
85.63100	0.9
87.00874	2.7
87.04522	12.1
89.02451	10.2
90.47614	0.9
91.77039	0.9
95.01392	1.7
99.00877	1.4
101.02454	4.7
113.02457	6.3
119.03527	5.5
119.04998	1.3
128.61958	1.0
136.07715	1.6
143.03481	1.4
161.04561	2.0
163.03963	1.9
164.07185	2.0
173.04648	1.1
176.03986	1.5
179.05643	1.5
191.05664	9.1
197.53877	1.1
231.14760	0.9
234.07742	3.6
319.13004	1.6
322.04300	1.2
337.07870	1.6
337.11359	6.9
337.15048	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	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03440	2.0
58.00591	3.9
59.01388	100.0
63.83640	0.9
63.83983	1.0
64.63218	0.9
71.01392	49.4
72.01714	1.0
72.99308	5.1
73.02946	2.0
75.00864	2.3
82.74799	0.9
83.01437	1.1
85.02969	10.4
86.03105	1.0
87.00873	1.9
89.02455	53.4
90.73043	1.0
95.01413	3.1
98.22592	3.1
101.02457	32.1
113.02464	18.1
119.03525	29.4
131.03551	2.1
143.03525	3.2
157.08667	1.6
161.04584	2.1
175.09814	2.1
179.05655	3.7
191.05716	1.5
228.92744	1.0
328.99020	1.2
337.15091	96.2
338.15369	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03453	7.3
58.00591	3.0
59.01387	60.4
60.19267	1.0
62.08852	1.0
67.01888	3.2
69.03456	1.6
71.00983	1.9
71.01389	39.8
71.05031	5.9
71.26864	1.7
72.99319	2.9
73.02954	6.9
75.02414	1.6
83.01396	4.3
85.02965	67.2
87.00877	4.9
89.02456	27.7
93.03461	12.0
95.01416	2.8
97.02998	1.0
99.00893	3.2
101.02458	25.5
104.64465	1.0
111.00876	1.1
111.04558	2.1
111.08211	3.6
113.02466	14.5
113.09734	1.1
115.00407	1.1
119.01328	1.0
119.03528	12.9
119.05022	7.6
124.04063	1.4
129.01924	1.0
133.02968	1.5
136.07680	1.1
138.05649	2.3
139.07637	2.4
141.22820	1.0
143.03508	2.6
147.04436	1.2
149.06102	3.2
155.03525	1.5
157.08736	15.2
159.02982	2.5
161.04584	7.5
163.04048	7.1
173.04590	12.5
175.03966	1.4
175.09792	7.4
175.13426	1.6
182.35486	1.0
191.05646	43.1
192.05952	2.0
193.22438	1.2
219.03036	1.8
237.04036	1.5
337.08606	2.7
337.15094	100.0
337.18713	9.3
338.15512	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03457	6.3
58.00583	2.2
59.01385	72.3
60.01717	1.2
67.01880	3.8
69.03442	2.2
69.29642	5.8
69.93852	0.9
71.01389	44.4
71.05047	5.8
72.99308	3.5
73.02954	8.2
75.02405	0.9
77.11264	1.0
81.03467	1.6
83.01404	4.1
83.05019	1.5
85.02959	61.7
86.03298	1.9
87.00880	7.7
89.02457	31.4
93.03468	25.5
95.01404	3.6
97.02989	0.8
99.00901	3.0
99.04567	1.0
101.02455	29.9
102.02841	1.4
111.00919	2.0
111.04530	5.5
111.08168	2.3
112.62823	0.9
113.01736	1.5
113.02466	18.5
119.01434	1.1
119.03532	13.5
119.05026	11.6
122.27424	1.0
125.02490	1.2
127.04028	1.7
129.01991	1.5
131.03499	1.5
135.04549	2.7
136.07658	1.0
138.05539	1.2
139.07690	3.0
143.03531	2.5
145.02974	1.9
147.59267	0.8
149.04518	1.1
155.03532	1.1
157.08727	15.4
159.02995	1.7
161.04591	10.8
163.04042	11.8
173.00951	0.9
173.04576	19.3
175.09752	6.5
175.13324	1.3
176.04066	1.8
179.03532	2.3
179.05556	2.1
191.05627	100.0
192.06039	2.8
212.69087	0.9
219.12192	1.6
220.09807	2.5
236.39134	0.8
260.05554	0.9
277.12772	1.4
337.08661	3.7
337.15079	82.7
337.18692	10.0
338.12250	1.1
338.15582	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	337.2025
Annotation	(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
Peak:m/z	Relative Intensity
55.78646	1.1
57.03454	17.2
59.01104	1.8
59.01389	34.7
61.98836	2.2
69.10986	1.0
69.48157	3.7
69.48559	2.8
78.40451	1.3
96.96037	1.7
97.06584	1.2
97.91548	1.4
98.22583	1.5
101.88760	1.2
104.54568	1.1
151.43307	1.2
167.11319	1.1
176.85075	1.3
191.05588	2.8
247.03008	1.3
251.20192	3.9
277.18100	7.8
293.21249	9.2
337.20255	100.0
338.20578	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	338.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03787	0.7
51.54950	0.7
52.01951	0.7
58.02983	51.3
59.01377	2.6
60.33400	0.9
60.49086	0.8
67.46233	0.8
68.05042	1.0
70.06610	2.4
71.04659	0.9
71.05028	7.7
71.27785	1.2
71.28150	1.0
80.02685	1.1
81.03439	2.3
83.05025	1.3
97.06612	1.5
98.06121	2.6
100.07681	1.6
109.06600	3.0
112.07696	6.1
126.05628	18.6
130.07892	1.3
130.08768	12.4
140.07191	13.5
144.10329	24.0
146.08250	100.0
147.08585	2.7
149.09726	2.3
165.12906	4.5
170.08241	17.9
209.11742	0.9
320.18637	6.3
338.19766	65.6
339.20441	5.7
346.25537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0726
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
50.67626	1.1
55.01873	1.3
57.03449	4.0
59.01396	5.9
62.20871	1.0
69.16047	7.9
71.01392	6.1
71.26926	1.0
71.80800	1.1
72.99322	4.3
83.01407	3.4
85.02979	1.9
88.29652	1.2
89.02479	3.2
93.03448	1.0
95.63451	1.2
99.00889	33.9
101.02461	15.5
105.03506	1.8
113.02470	1.6
114.05599	5.5
117.01954	15.7
117.03455	1.9
119.03503	1.7
123.04581	1.8
127.64510	1.2
133.02963	7.9
134.02246	1.2
134.03755	27.7
135.04573	1.9
141.97882	1.2
145.01445	100.0
149.06079	1.6
161.06078	1.3
163.02501	71.6
164.02888	1.9
177.01892	1.8
180.26241	1.0
193.05083	14.2
203.33951	1.1
252.16879	1.3
321.02518	1.2
340.22461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03124	1.1
51.86435	1.1
55.01876	2.0
57.03454	3.2
59.01410	1.7
62.63651	1.2
65.89629	1.7
69.17970	2.6
69.18373	8.7
71.01364	2.2
71.29346	1.3
72.99308	1.3
79.76003	1.1
83.01410	4.0
98.22642	1.1
99.00898	27.0
101.02467	11.8
117.01959	10.7
134.03778	29.5
135.04062	1.4
145.01460	96.6
146.01833	1.8
163.02516	100.0
164.02908	3.4
166.27065	1.2
193.05070	13.7
209.80159	1.3
216.53270	1.7
220.63953	1.3
271.13550	1.1
290.90433	1.2
339.15680	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	339.1242
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
70.84451	2.0
81.90797	0.8
117.03510	1.1
125.57365	0.9
133.17645	0.9
134.06140	2.7
145.02985	5.7
163.04041	3.7
173.36406	1.0
178.05103	1.9
179.07347	1.1
179.08876	0.9
185.02481	0.9
191.08606	2.4
197.09679	1.0
205.06497	1.3
207.08231	3.8
217.06596	2.4
219.08200	2.9
220.05367	1.4
221.06119	2.4
223.07768	1.7
225.05556	2.5
225.09177	1.1
233.06064	3.1
234.06769	2.4
235.07697	9.9
236.08090	1.5
237.05576	1.3
237.09286	2.8
239.07065	2.6
240.04100	1.1
245.06166	2.3
246.06804	2.6
247.07661	3.5
248.04723	0.9
251.07056	1.8
252.07988	2.2
253.05086	3.4
253.08745	5.4
262.06381	3.6
263.07150	21.9
264.07657	4.3
265.08710	1.7
266.05930	1.2
268.10965	1.8
273.05698	1.6
274.06232	1.6
275.07217	2.7
279.06448	2.1
280.07474	2.8
281.08218	31.5
282.08502	3.0
291.06726	13.2
292.07315	3.7
293.08243	9.8
294.08987	5.2
295.10028	1.3
296.10562	4.3
306.09036	2.5
307.09705	4.5
308.07211	1.8
308.10443	7.0
309.07736	100.0
309.10962	4.2
310.08005	10.5
323.09259	32.0
324.10034	72.4
325.10373	9.1
339.12405	68.9
340.12683	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	339.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98671	0.9
59.01383	100.0
60.01713	1.5
69.18180	6.9
71.01383	4.2
73.02946	1.3
80.06247	1.0
85.02972	2.9
87.00883	1.1
87.04529	3.1
89.02464	1.3
92.42940	1.2
97.51852	0.8
99.00902	1.6
101.02453	2.5
102.38251	1.0
103.78475	1.0
112.57336	0.9
113.02471	1.1
123.33298	0.9
123.83965	1.1
142.35080	1.0
145.01468	2.3
161.04582	2.2
177.01933	8.1
207.80331	1.0
249.88858	0.9
250.92856	1.0
256.56979	1.1
279.14532	7.5
301.52676	1.1
339.11829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23399	1.0
57.09632	1.1
59.01385	100.0
60.01713	1.8
69.26721	3.0
69.27146	4.5
71.01382	4.1
72.99359	1.2
74.06941	1.0
75.00875	1.2
83.01422	1.2
85.02960	3.2
86.38804	1.1
87.00890	1.2
87.04520	5.8
88.04870	2.3
89.02448	1.6
89.04924	1.4
93.03471	2.2
98.21825	2.1
99.00876	2.4
101.02445	5.4
109.93822	1.3
113.02498	3.1
117.01968	1.5
133.03001	2.4
135.04550	1.7
136.04858	1.3
145.01515	2.5
148.01642	1.6
149.02426	1.2
161.04576	2.6
173.04601	2.0
176.01219	2.0
176.54204	1.3
177.01944	22.8
177.04317	1.2
178.02324	1.4
178.05093	1.4
179.03503	2.1
180.03862	1.2
191.05663	3.4
192.05939	1.2
193.06111	2.1
251.06841	1.6
261.07587	1.1
267.10443	1.0
279.14655	6.0
339.07257	2.8
339.11914	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	339.2179
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
57.03442	5.2
59.01383	11.5
61.82619	1.1
61.98812	1.6
64.03546	1.3
69.03439	2.0
69.92502	2.8
69.92892	2.3
83.01391	4.2
101.21273	1.2
105.67507	1.2
109.07396	1.2
191.14319	2.6
207.17503	2.4
219.17497	11.2
235.20683	5.1
240.81148	1.5
249.18550	1.4
259.20724	1.9
261.18716	1.7
277.21716	6.8
279.16766	1.5
279.19666	27.9
280.19974	3.1
303.19751	1.7
321.20731	33.6
322.21021	4.7
339.18286	6.8
339.21771	100.0
340.22095	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	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
58.98968	1.1
69.51862	2.1
69.52301	4.8
77.37970	0.8
77.55611	0.8
119.78635	0.9
163.11307	100.0
164.11652	6.6
221.30089	1.1
328.98965	1.0
339.19193	1.6
339.23312	29.6
340.23657	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	341.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.0
58.54337	0.7
59.01381	7.5
59.09875	0.7
61.29628	0.8
62.47765	0.8
69.42344	5.0
71.01383	3.7
72.99332	3.8
75.00881	44.3
85.02956	4.4
85.24448	0.7
87.00879	2.3
89.02459	1.6
89.03973	2.3
99.00902	2.6
101.02448	1.5
117.03493	5.0
129.01956	11.3
134.03761	89.9
135.04114	3.4
147.03032	13.1
149.06088	5.1
160.01718	0.9
164.08389	0.8
165.04065	100.0
166.04381	2.7
188.08488	0.9
193.05084	69.3
194.05463	5.5
295.43326	0.9
341.08636	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	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01386	6.4
64.98286	0.6
69.40797	4.0
71.01391	6.1
72.99334	3.6
75.00882	29.7
85.02958	5.4
87.00874	1.7
89.02460	2.7
89.03973	3.3
90.00596	0.8
95.51687	0.7
99.00900	2.5
101.02471	1.6
106.17225	0.7
113.02522	0.7
117.03483	9.9
118.03865	0.8
119.03545	1.2
129.01965	7.7
134.03758	100.0
135.04051	5.1
147.03012	15.2
149.06104	6.4
165.04057	62.9
166.04399	2.1
179.05597	0.8
193.05075	89.1
194.05396	5.8
203.28966	0.7
233.18188	0.7
234.71756	0.8
330.71555	0.7
341.08658	6.8
341.12125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
70.30938	2.7
71.01383	3.1
72.99313	0.8
75.00882	11.2
85.02965	3.5
87.00887	3.3
89.02469	4.5
89.03992	2.8
101.02460	2.8
113.02472	0.9
114.05610	1.4
117.03476	10.4
120.19744	0.8
122.89384	0.7
129.01965	1.5
131.66042	0.7
133.03053	1.0
134.03763	100.0
135.04588	19.7
147.03029	10.3
149.06105	6.8
165.04060	16.7
178.02695	3.9
179.03520	13.4
179.05592	1.9
193.05080	96.9
194.03897	0.8
194.05354	5.4
214.11975	1.0
292.68616	0.8
316.53497	0.8
341.08701	2.3
356.58447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01381	3.2
69.21845	2.0
69.22263	1.9
70.16488	0.5
71.01390	1.9
72.99319	0.5
75.00878	3.8
85.02967	1.1
87.00869	0.9
89.02467	2.5
89.03964	3.4
98.22493	0.8
101.02438	0.7
106.04262	0.8
113.02510	0.6
117.03482	10.3
118.03776	0.6
119.03529	0.7
124.62245	0.5
129.01936	1.0
134.03763	97.7
135.04066	4.5
147.03055	2.8
149.06105	6.6
150.06413	0.8
165.04076	10.9
178.02672	0.9
179.05650	0.6
193.05083	100.0
194.05421	6.2
341.08798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03465	0.8
58.00607	3.8
58.70302	0.6
59.01384	100.0
60.01708	1.0
62.89891	0.7
70.92587	1.5
71.01387	60.2
72.01711	1.0
72.99334	3.5
73.02956	1.8
75.00886	0.8
83.01405	1.9
85.02957	9.0
87.00874	4.0
89.02451	85.9
90.02808	1.1
95.01395	3.2
101.02454	27.1
102.02774	1.3
107.09476	0.7
113.02459	23.7
113.11867	0.6
114.02773	1.1
117.21259	0.7
119.03507	33.8
125.02436	1.1
131.03537	4.6
143.03519	9.1
149.04607	3.9
158.72971	0.7
161.04596	9.6
179.05618	34.8
180.05943	1.1
234.41553	0.7
244.12650	0.7
254.39880	0.7
341.10892	34.6
342.11212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55676	1.1
55.01878	1.3
57.03434	1.5
58.00598	4.0
59.01385	100.0
60.44860	1.0
69.28729	3.9
69.29137	4.3
71.01390	59.8
72.01739	1.0
72.99328	2.8
77.56965	1.1
80.19400	1.1
83.01408	2.3
85.02968	6.9
87.00885	3.2
89.02456	80.3
90.02803	1.3
93.08735	1.2
95.01406	3.3
98.21764	2.0
101.02457	29.5
113.02472	23.9
119.03517	29.1
131.03519	3.9
139.71477	1.3
143.03516	9.4
149.04546	3.7
161.04588	9.7
162.99931	1.1
179.05621	31.0
180.05566	1.0
301.18475	1.2
341.10898	30.3
342.11011	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	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97587	1.1
55.01886	1.2
57.03481	1.6
58.00589	4.7
58.83224	1.3
59.01384	100.0
64.97727	1.3
68.96648	1.3
70.48082	3.4
71.01389	64.0
71.85301	1.1
72.01736	1.6
72.99323	3.0
73.02973	1.6
79.36924	1.2
83.01398	2.1
85.02956	9.6
85.99285	1.2
87.00900	4.0
89.02455	81.7
95.01423	3.2
101.02463	23.4
113.02458	23.9
117.48672	1.2
118.46799	1.3
119.03509	26.6
131.03506	4.3
143.03508	7.9
161.04544	8.3
175.86230	1.2
179.05635	27.8
180.05910	1.5
217.92136	1.4
258.24670	1.2
341.10892	28.4
342.11224	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	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22049	33.7
59.01379	92.0
63.61723	35.7
70.29907	100.0
71.01377	87.8
71.38282	32.6
72.66844	31.8
89.02486	42.9
103.11945	42.2
167.04359	37.9
205.20753	34.0
238.69989	34.0
262.65942	39.6
275.97812	34.6
329.32797	38.4
341.10684	56.3
342.54343	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.12141	1.6
57.03443	3.5
58.00599	2.3
59.01385	93.0
69.00019	4.2
69.00436	10.3
71.01392	60.0
72.21867	1.5
72.99315	4.2
73.02960	2.8
79.05539	3.4
83.01416	3.6
85.02956	15.5
87.00906	2.6
89.02456	53.5
90.37872	1.7
91.05510	1.7
91.48739	1.5
95.01407	5.8
97.02996	8.2
97.06601	3.2
99.00890	2.6
101.02457	27.5
106.04282	2.2
108.02200	1.6
113.02464	23.4
115.03984	1.4
117.07134	7.7
117.70197	1.6
119.03513	19.8
121.03041	1.4
123.04553	11.1
130.08752	2.8
133.06647	4.6
135.08203	6.6
143.03578	2.5
149.02481	1.4
149.09686	4.0
151.11337	5.6
161.04646	4.2
161.06091	37.6
161.09764	2.0
163.07695	3.2
164.08466	2.9
179.05673	3.4
179.07236	3.4
179.10791	100.0
180.11171	6.1
185.14813	1.7
341.11105	1.6
342.24152	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20628	0.5
55.01870	1.2
57.03451	4.6
58.00595	1.1
59.01387	44.5
68.01443	0.5
69.03457	1.4
71.01389	25.1
72.00925	0.7
72.99312	1.1
73.02955	28.6
74.03266	0.6
75.00867	0.7
81.03453	0.9
82.31524	0.4
83.01395	6.8
84.01694	0.5
85.02965	4.0
87.00368	0.5
87.00865	1.1
89.02457	9.2
95.01387	1.2
95.05035	2.8
97.02975	1.5
97.06579	3.8
99.00877	0.8
101.02456	23.8
106.26334	0.6
106.96520	0.4
107.05039	0.8
108.02223	0.8
109.06596	1.4
113.02462	6.7
119.03545	3.4
119.05045	7.6
123.03252	1.1
123.03552	0.8
123.04543	11.1
123.08146	1.0
125.02489	1.2
127.04085	0.5
130.08728	1.9
131.03517	1.5
133.06789	0.5
134.03743	2.3
135.04491	0.8
135.08197	1.0
137.04961	0.4
137.06073	1.3
138.05627	15.6
143.03494	1.5
149.02516	0.7
149.04633	0.6
149.09731	2.9
151.11320	5.0
155.03560	0.9
161.04608	4.3
161.09660	2.2
163.07614	2.4
164.04852	0.5
164.08482	2.6
165.04062	1.1
175.65883	0.4
179.05681	1.2
179.10796	100.0
180.06610	0.8
180.11105	5.9
182.47423	0.4
193.05028	1.9
196.31693	0.5
205.03503	0.5
223.06133	0.6
293.20016	0.5
341.12012	2.0
342.12137	1.0
342.24039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80752	0.2
53.96268	0.1
55.01884	0.9
57.03188	0.3
57.03455	3.8
59.01385	2.4
69.03461	0.8
71.01388	6.9
72.01691	0.2
72.99304	0.3
73.02956	2.1
75.00856	0.2
79.05524	0.6
81.03457	0.5
83.01388	0.7
83.05010	0.2
85.02962	2.6
87.00884	0.4
89.02452	1.3
94.04255	0.2
95.01414	0.7
95.05041	3.2
96.05386	0.2
97.02950	0.9
97.06602	3.6
99.00900	1.1
101.02458	3.1
106.04250	0.4
107.05052	0.2
108.02179	1.1
109.06612	1.2
112.05338	0.2
113.01744	0.3
113.02472	3.7
114.12711	0.1
117.07140	0.2
119.03498	0.4
119.08641	0.2
120.05805	0.3
121.06615	0.5
122.03760	0.2
123.04543	11.7
123.08179	1.3
124.04869	0.5
125.06106	0.4
129.01984	0.2
130.08788	0.4
133.06612	0.4
135.04561	0.2
135.08177	2.0
137.09732	0.3
138.06911	0.3
143.03410	0.3
149.09735	3.8
150.10051	0.2
151.11292	5.1
151.12512	0.3
152.04852	0.2
152.11623	0.4
159.03033	0.5
161.04588	3.1
161.05966	0.2
161.09737	2.3
163.07674	2.4
164.08421	2.6
165.08810	0.2
177.09296	0.3
179.10796	100.0
180.09543	0.3
180.11139	6.7
341.11279	0.2
342.24149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.161
Annotation	Anacine
Peak:m/z	Relative Intensity
53.42864	1.8
57.03450	4.4
59.01387	100.0
65.90868	1.9
68.32507	1.8
69.03458	2.8
71.01402	18.5
73.02944	2.0
84.02193	4.7
85.02978	2.8
89.02445	16.9
96.96024	3.2
97.02962	2.2
98.21792	4.3
101.02467	8.8
113.02450	6.9
119.03516	8.0
135.64995	2.0
143.07262	1.9
161.04594	2.4
171.10225	9.0
179.05640	7.4
181.12230	2.0
183.13916	2.5
189.01978	6.7
215.38014	1.8
219.13950	18.4
220.14230	2.4
235.13499	2.6
237.15027	5.1
251.16528	3.0
279.16052	34.6
280.16498	3.1
295.15649	7.7
297.17047	11.6
323.14972	6.1
341.11084	5.6
341.16116	74.7
341.19629	7.2
341.22751	15.6
342.16504	6.6
342.23608	2.8
361.74274	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	341.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32645	1.2
57.03439	4.2
59.01382	18.1
68.96542	5.2
68.96961	9.1
69.03448	2.5
71.01393	23.4
71.05033	10.7
72.99284	1.4
73.02947	2.6
80.02685	2.7
81.03473	5.3
82.92698	1.4
83.05042	9.5
84.02168	2.2
85.02943	6.2
87.04553	1.6
89.02458	8.2
93.03497	1.5
95.05046	10.0
97.06602	6.7
98.22550	2.3
99.04536	3.5
101.02462	4.2
107.05014	4.0
109.06621	3.4
110.03750	3.5
111.08138	3.1
113.02458	2.7
113.06074	4.0
119.03542	2.7
122.03723	2.4
123.08159	2.4
125.06092	17.6
125.09745	4.1
126.50512	1.4
127.07668	1.6
135.08194	2.9
137.06110	6.7
155.07175	1.9
163.11288	6.1
165.12828	4.6
178.02542	1.6
179.05659	3.5
179.10832	1.6
183.83739	1.4
185.11862	33.3
197.11850	31.4
198.12125	1.4
203.10887	1.7
203.14433	1.9
209.11850	100.0
210.12204	6.4
221.11867	8.2
222.12270	1.9
227.12910	11.4
233.11848	2.1
235.13396	2.8
237.14995	4.1
239.12868	11.2
249.14964	2.0
251.12909	9.1
257.13968	3.5
261.18613	2.2
265.14557	7.5
287.16479	2.9
305.17615	17.3
323.18594	15.4
335.32028	1.4
341.10727	4.1
341.15891	2.4
341.19702	36.3
342.20001	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	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71307	2.6
57.03431	5.2
59.01385	50.0
67.01893	2.7
67.70645	3.0
69.03438	5.1
71.01399	19.9
71.05029	27.1
71.26881	5.1
81.03472	21.2
83.05020	15.2
84.02180	13.0
85.02953	3.0
89.02454	22.1
95.01416	3.4
95.05032	9.1
97.02951	7.8
97.06626	12.4
98.03704	3.1
99.04533	31.7
101.02470	6.8
109.02959	3.5
109.06602	6.6
111.04520	5.0
113.02466	4.9
119.03509	7.7
121.55779	2.7
123.08177	3.7
151.07631	6.0
171.10310	30.0
179.05566	7.0
183.13879	8.9
185.11913	3.5
189.12863	4.2
191.14461	3.3
193.12346	28.9
207.14001	3.0
211.13405	11.8
213.11206	2.7
213.68448	2.6
225.14984	19.1
235.13412	21.9
237.15005	3.2
243.15971	9.1
249.15225	2.6
253.14458	46.4
254.14729	4.5
269.04382	2.8
279.15948	6.6
287.16571	15.4
297.17151	3.6
305.17575	11.6
323.18576	3.7
341.10672	10.7
341.16074	14.5
341.19843	6.7
341.23309	100.0
342.23633	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	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94419	0.7
59.01384	5.7
69.03445	2.1
69.79481	2.7
70.49484	0.7
71.01395	3.5
72.38446	0.7
83.05053	1.6
84.02183	10.5
85.02958	0.9
89.02454	4.5
97.02969	2.5
97.06593	10.8
98.06950	0.7
99.04525	3.2
101.02435	1.0
113.02483	1.6
118.50861	0.6
119.03476	2.0
125.09691	1.7
135.08128	0.7
137.09779	1.2
165.12845	1.2
171.10297	17.0
172.10582	0.9
175.11331	1.0
179.05624	2.3
183.13924	5.5
193.12355	14.1
203.10881	0.8
211.13412	3.7
218.01822	0.8
225.14993	19.3
226.15430	1.3
243.16013	8.8
253.14615	1.1
265.18118	0.9
285.63730	0.7
291.19641	2.1
305.21167	0.9
323.22308	0.9
341.23361	100.0
342.23642	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	341.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27634	1.0
56.39428	0.9
59.01385	5.0
70.15477	4.1
71.01366	2.6
77.30033	0.9
78.84336	0.9
84.02173	18.5
89.02448	2.5
97.02968	11.5
97.06595	7.0
99.04528	3.9
101.02440	1.6
113.02441	1.2
119.08687	2.2
125.09762	2.0
127.11292	2.4
137.09698	2.3
171.10284	59.3
172.10666	2.3
187.52820	1.1
193.12343	6.4
208.27197	1.0
211.13478	1.5
225.14983	10.0
231.46837	0.9
239.12930	1.2
243.16037	3.9
253.14442	1.5
291.19635	7.5
341.23352	100.0
342.23688	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	342.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75196	1.6
51.77782	1.5
55.01865	2.2
57.03458	2.3
58.00578	2.7
59.01385	75.5
69.21077	10.6
69.21480	3.6
69.32766	1.4
70.25987	1.5
71.01391	35.5
72.99307	3.9
76.44885	1.5
83.01405	3.6
85.02961	8.9
89.02451	32.0
95.01411	1.8
101.02460	23.3
106.06628	3.4
113.02471	13.9
119.03521	14.6
130.08763	2.5
134.03729	6.0
134.06158	4.8
135.04134	4.8
136.04886	1.8
138.02068	1.6
138.05708	2.0
162.05627	86.9
163.05962	3.7
166.08752	4.7
180.06409	2.1
193.05019	5.9
194.05435	9.2
208.05504	1.6
342.11969	100.0
343.12347	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	342.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.3
61.49256	8.5
70.24854	32.0
71.01365	11.2
89.02473	12.3
101.02454	10.5
108.91459	9.0
112.12717	8.4
162.06052	8.5
195.62447	8.8
195.89441	9.7
342.20508	100.0
343.20743	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	343.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52658	0.2
59.01387	94.2
60.01725	1.1
62.49908	0.2
70.27580	0.2
70.80350	0.4
70.80701	0.2
80.91758	0.2
83.76919	0.2
96.73677	0.2
108.32523	0.2
113.04633	0.3
115.02506	0.3
127.19753	0.2
157.03583	6.7
158.03723	0.7
159.01540	3.0
185.01265	0.2
199.98860	0.3
201.02576	100.0
202.02751	8.9
253.20219	0.2
267.11441	0.2
323.61066	0.2
343.03613	1.7
344.03787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0825
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
51.09076	3.2
71.27959	3.7
71.28339	5.2
83.01397	94.9
85.35721	3.3
145.06659	3.6
145.50081	3.9
189.05568	5.6
201.51721	3.6
215.03534	5.9
231.06641	60.0
232.06952	5.6
245.33246	3.6
257.04730	6.9
259.06146	58.8
269.04636	4.7
299.09241	10.5
313.03555	36.8
314.03717	4.0
328.05923	100.0
329.06247	10.1
343.08267	97.5
344.08328	8.5
344.16513	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	343.1191
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.40032	2.2
59.01383	13.7
63.17791	2.1
71.01390	13.9
71.26881	3.7
73.02959	4.1
85.02961	4.0
89.02452	6.5
93.35020	2.2
95.05020	2.7
101.02444	6.1
108.02174	3.3
109.02972	2.4
113.02444	5.9
119.03518	3.7
121.02942	3.8
130.08693	2.9
134.62915	2.3
135.04544	2.5
137.02449	3.7
137.09726	8.1
143.05008	3.6
145.02969	9.0
146.03732	7.7
147.04506	8.9
149.02312	2.7
158.03769	24.5
159.04442	5.4
161.06093	4.9
163.04111	2.6
165.05554	6.5
171.04527	3.1
173.73831	2.2
175.04045	2.5
176.04799	3.2
177.05614	2.4
178.06378	3.3
189.05537	3.2
207.06596	7.6
211.27924	2.3
235.07712	2.7
237.09229	2.5
239.07077	2.4
247.07762	3.6
251.07219	5.3
254.09552	11.5
263.07043	8.2
264.07999	3.5
265.08710	7.5
268.07562	2.8
269.07993	2.2
275.07190	3.7
276.07913	3.9
279.06857	4.8
280.07394	26.9
281.08029	8.5
282.08936	12.3
283.09778	6.5
291.06738	3.2
292.07443	3.6
293.08304	10.8
294.09024	29.4
295.09772	46.3
296.10135	3.4
298.08304	4.5
307.09897	2.7
309.07739	30.2
310.08450	43.1
311.09131	5.4
313.10837	19.0
325.10849	100.0
326.11346	11.6
343.11789	6.2
343.21252	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	sibiskoside
Peak:m/z	Relative Intensity
53.30423	1.1
55.01869	2.0
57.03448	1.7
58.00588	4.2
59.01386	100.0
69.23651	2.4
69.24076	5.9
71.01389	63.2
72.01695	1.0
72.99305	4.7
73.02946	3.0
73.25031	1.0
74.60633	1.3
83.01392	1.8
85.02966	10.8
87.00887	3.7
89.02459	66.6
90.02796	1.7
93.41385	1.1
95.01395	4.1
97.02943	1.5
101.02451	34.5
110.09244	1.2
113.01736	1.7
113.02467	22.6
119.03507	26.4
119.08684	55.8
120.09010	3.5
130.08743	4.5
131.03471	2.4
136.07599	1.3
137.09738	8.1
143.03510	3.4
149.02350	1.3
149.04675	1.3
161.04517	2.3
163.07669	6.0
179.05635	4.9
180.06610	1.5
181.07222	1.7
181.08656	6.8
207.58112	1.1
221.60483	1.3
226.12289	1.1
334.79504	1.2
343.13989	14.3
343.24362	1.9
344.21811	1.7
358.81213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2132
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.10794	3.9
59.01376	5.3
61.06750	4.6
69.16467	26.6
93.92609	3.9
97.71062	4.6
100.20576	3.4
111.08125	4.5
125.09728	6.0
153.09190	4.9
157.02359	4.0
167.12541	4.1
171.10291	83.6
172.10669	5.7
185.11819	5.2
201.11404	24.3
213.11337	6.2
293.73444	4.4
343.21295	100.0
343.25314	7.9
344.21695	9.2
361.78171	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	343.213
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03434	1.5
59.01376	0.7
66.48524	0.3
69.03471	1.0
71.01377	1.7
71.05019	1.1
72.99328	0.4
73.02955	0.5
81.03472	0.8
83.05026	2.8
83.66905	0.5
84.02173	2.0
85.02514	0.5
85.02958	3.6
95.05015	1.0
97.02970	0.5
97.06608	3.8
99.04530	0.5
107.11853	0.5
110.03693	0.5
111.08174	1.4
123.08199	1.9
123.32246	0.4
125.09770	2.0
127.82650	0.4
137.09760	1.4
141.09225	1.6
141.71434	0.4
151.11313	1.5
153.12877	1.0
155.10796	0.9
163.11316	1.1
169.12416	0.6
171.10246	1.0
179.10789	0.8
181.12363	8.1
182.04614	0.7
182.12709	0.7
187.09776	1.6
191.10684	0.6
199.13390	0.8
203.26440	0.4
209.11848	1.5
211.13371	0.5
218.41681	0.4
227.12903	3.2
234.12550	0.4
237.14972	1.0
245.13962	1.9
255.12433	0.9
261.18753	0.8
307.18912	0.5
312.86288	0.4
325.20193	0.9
343.21274	100.0
344.21658	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	343.2132
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03437	3.6
57.52877	1.2
59.01384	82.4
65.20304	1.0
69.03442	1.3
71.01369	3.5
73.02959	5.9
78.98615	1.8
83.01401	1.7
83.05036	3.3
84.02162	1.5
85.02979	2.6
85.06602	1.9
89.02428	2.3
95.05023	3.8
97.06590	3.8
99.00905	2.2
101.02416	2.0
107.08671	2.5
109.06606	4.0
111.08189	2.3
113.02487	2.3
115.07658	1.4
123.08195	1.8
125.09734	2.2
131.23743	1.0
133.03003	1.4
135.08145	1.4
136.07607	1.5
137.09770	1.3
139.07664	13.4
139.11293	2.5
153.09248	1.9
155.10812	4.0
163.00381	1.5
163.07687	1.7
163.11302	2.0
171.10294	11.3
181.12402	3.6
183.10268	2.7
201.11331	5.0
209.11839	12.4
211.13412	4.2
225.11368	3.0
229.14442	14.6
237.15009	3.2
241.09840	3.0
243.12383	4.5
249.14931	1.7
257.17361	1.4
258.99902	1.3
265.47949	1.1
267.16180	1.5
283.10938	1.2
292.35400	1.3
297.03961	2.0
315.13474	2.0
325.20142	4.4
343.04620	1.9
343.21289	100.0
344.21713	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	343.2493
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.57616	0.8
53.82608	0.7
69.59822	2.9
69.60226	1.4
81.09366	0.8
83.05029	1.3
85.67367	0.7
87.61369	0.7
98.22475	0.8
99.08183	6.5
108.29875	0.9
121.10220	3.8
125.09705	1.5
129.71692	0.7
137.09705	1.2
139.11255	1.1
140.80016	1.0
149.22446	0.8
161.88458	0.7
165.09244	0.8
171.10286	25.0
172.10561	1.5
190.99487	0.8
193.12372	13.4
203.44867	0.8
211.13406	2.8
225.14970	17.6
226.15228	0.9
243.16045	5.8
244.16512	0.9
293.21240	2.8
299.28195	0.9
311.01990	3.4
325.23828	1.3
343.24915	100.0
344.25275	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	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.49950	1.0
58.88640	1.0
59.01389	2.6
68.99512	9.0
68.99920	2.5
69.03475	2.2
83.05041	1.8
99.08149	5.4
116.82720	1.1
121.10258	6.6
125.09752	1.5
137.09753	2.8
171.10298	40.3
172.10658	2.1
184.10965	1.0
193.12367	11.6
211.13440	1.6
225.14986	13.6
243.16028	4.4
293.21225	4.8
343.24933	100.0
344.25229	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	344.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77120	4.3
59.01390	100.0
60.01723	5.3
61.98832	4.3
62.17025	4.7
69.34267	34.0
71.01396	18.8
85.02999	6.7
89.02460	11.3
101.02454	6.4
123.00899	40.8
124.01702	5.8
138.03276	21.1
139.04042	10.8
139.51054	4.8
159.01505	11.3
161.04555	14.9
168.00615	4.8
174.99278	15.4
176.96918	4.9
186.95659	10.9
187.01050	11.0
191.05588	9.9
201.02556	36.6
202.02754	20.6
202.98825	48.9
203.02362	11.4
248.96074	11.0
290.97171	22.8
293.43738	5.3
301.09244	12.7
344.94400	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	344.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03448	0.5
58.00604	1.6
59.01384	100.0
60.01714	4.6
61.57245	0.4
61.98839	2.4
71.01389	13.0
72.01737	0.9
72.99313	1.5
83.01408	1.0
85.02961	3.0
87.00887	1.0
89.02449	12.5
90.02803	0.6
90.16643	0.4
90.97171	0.9
92.05067	3.4
95.01440	1.2
99.00904	1.6
101.02449	8.7
108.04586	1.5
111.02046	1.0
113.02454	4.2
117.00461	0.8
119.03532	4.9
119.05042	0.7
120.04570	10.1
120.05350	0.7
120.52790	0.4
121.03001	0.5
122.03384	0.7
122.06120	2.1
128.03592	0.5
131.03619	0.4
132.98236	0.9
136.04045	2.9
136.04921	0.5
138.05626	15.4
138.06657	0.8
139.05901	0.5
146.47566	0.5
152.95099	0.5
157.03571	3.1
158.03688	1.3
159.01500	5.1
159.03394	0.7
160.01599	1.1
160.97711	2.0
163.04060	0.5
164.03558	28.4
165.03842	1.2
169.11829	0.4
174.99249	4.4
180.06688	0.9
184.01265	0.5
186.00851	2.3
186.95644	0.8
186.99451	0.7
187.01007	4.6
187.02654	0.7
199.98849	2.5
201.02567	40.0
202.02731	30.9
202.98772	15.5
203.02280	12.2
217.00346	2.7
243.06396	0.5
248.96144	1.3
285.08093	0.8
290.97223	3.2
300.10898	7.4
301.11447	0.6
344.03555	1.0
344.09906	24.1
345.10300	2.5
345.17688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03452	1.2
57.71925	1.1
58.00588	3.5
59.01383	100.0
60.01703	1.6
63.76594	1.5
71.01387	68.1
71.26683	1.1
72.99303	6.3
73.02947	3.2
83.01391	4.6
85.02956	12.2
85.24426	1.3
87.00884	18.5
89.02451	72.4
90.02797	2.0
93.03439	1.7
95.01405	4.8
97.06551	1.3
99.00848	1.4
99.04580	1.5
101.02455	39.0
102.02768	1.4
108.06930	1.2
110.06138	2.1
113.02464	24.9
113.06108	1.3
114.05641	2.7
116.07169	1.8
119.03515	33.3
126.00938	1.1
128.03596	1.6
130.08763	1.6
131.03496	3.4
133.02942	1.3
134.06131	4.6
136.07614	1.1
138.05569	3.1
139.00403	1.1
142.56956	1.1
143.03543	3.9
146.02582	1.1
147.74901	1.2
148.07709	2.7
149.04591	1.9
161.04533	5.9
164.03514	6.4
164.07143	6.9
166.08722	2.0
167.03503	2.1
179.05659	8.9
181.05174	1.7
182.05521	2.0
187.10858	1.3
191.05621	1.6
314.12930	1.6
326.12518	14.2
344.13663	3.2
345.12097	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	344.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68765	4.4
59.01388	63.3
70.55563	11.6
71.01393	57.4
72.00909	10.5
72.99304	6.8
74.02473	8.0
75.00871	8.2
78.95895	4.4
80.15677	3.9
83.01388	5.1
85.02919	5.8
87.00880	11.9
89.02459	49.9
95.01377	6.9
101.02452	17.3
112.98807	10.8
113.02456	10.4
119.03544	13.5
119.05026	8.5
120.05354	10.7
130.08757	5.8
138.05627	7.4
142.33685	4.2
147.04533	40.6
163.04005	11.6
164.04427	9.5
164.07173	100.0
165.05624	10.0
166.01418	5.4
174.99289	6.7
179.05656	7.9
182.05492	5.0
186.95599	10.2
202.98724	7.9
228.17215	10.5
231.05089	5.2
248.96143	10.7
285.07706	5.2
290.97195	24.4
344.06888	8.9
344.10641	16.4
344.18411	6.9
344.94473	8.5
345.07828	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	344.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64756	59.2
54.69892	54.5
71.28424	100.0
79.77634	53.6
88.02222	74.1
96.36417	60.8
176.13870	58.3
195.00136	57.3
219.77571	60.8
260.96896	59.7
283.70703	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30162	0.8
59.01376	2.8
64.52862	0.8
66.03519	0.9
69.12550	8.4
70.02974	1.8
81.02205	6.0
82.02996	1.9
87.05638	2.6
89.53961	0.9
94.06631	1.4
96.00916	7.1
98.02484	21.1
101.25941	1.1
107.35788	0.9
109.01706	3.6
111.03310	1.1
113.03594	7.5
114.01990	2.8
115.08752	1.1
116.06389	1.3
116.07190	19.1
124.07698	9.4
125.07214	2.6
126.05640	3.9
130.08754	43.2
131.04675	1.3
131.09070	1.4
135.72772	0.9
138.05602	1.5
138.09254	12.7
139.08812	1.7
140.07161	2.7
146.03659	1.0
147.04482	4.1
148.04829	2.7
151.08778	1.9
152.07207	20.6
154.08768	1.2
156.06670	1.2
164.04765	3.5
164.09573	2.3
165.05475	4.5
166.05887	2.6
166.08720	10.4
169.09853	1.6
179.07159	2.7
180.07532	1.2
185.16600	7.1
195.07750	1.1
195.15129	0.9
204.09103	1.9
211.14516	6.7
213.08849	1.4
219.15038	2.6
221.16559	7.8
222.10110	1.3
229.15591	7.7
247.14536	7.7
265.15558	7.3
309.14584	100.0
310.14923	9.7
326.17230	37.1
327.17578	1.9
344.11823	1.0
344.18216	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	344.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	22.9
59.01381	2.9
69.57830	6.1
71.01387	2.6
72.00906	1.6
74.02483	76.6
78.83268	1.4
82.06623	3.7
87.05649	31.6
88.04070	2.5
89.02473	2.1
97.04089	3.1
101.07222	3.7
109.01698	3.7
111.05672	1.6
112.04052	3.0
116.07220	2.5
118.05110	6.3
122.09784	1.6
123.00872	1.6
123.04121	1.3
125.21929	1.5
126.09295	3.4
128.03568	5.2
129.06717	36.3
129.10347	5.7
130.08734	3.8
134.03699	1.8
135.03024	1.3
136.38402	1.4
138.01999	2.0
143.11919	21.5
149.52992	1.3
153.10359	8.8
155.11946	5.4
157.13463	5.1
166.08755	22.8
167.09076	1.7
169.09889	1.6
169.13409	2.6
179.11975	1.8
183.11354	7.3
187.10896	5.7
191.05598	2.2
196.06085	3.5
197.04582	4.7
198.04897	1.8
214.15637	58.9
215.15710	1.9
225.12529	8.7
240.17189	2.2
243.13522	8.4
250.65900	1.5
256.16684	7.4
256.20212	1.4
282.18387	2.8
300.15692	100.0
300.19043	4.8
301.16019	7.8
326.17331	1.7
344.18118	24.6
345.18896	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	344.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	1.3
59.01379	4.9
66.03476	1.3
69.46007	6.9
71.01392	5.7
71.02489	1.3
73.02968	2.5
74.02483	100.0
75.00862	1.9
82.06644	3.4
85.02944	2.0
85.04083	1.4
86.25420	1.2
89.02461	4.2
101.02446	1.8
113.02468	3.1
118.05128	5.4
118.98096	1.3
126.09267	4.8
129.10358	52.6
130.08737	1.2
130.10730	1.2
132.39429	1.2
138.50627	1.2
139.07770	1.9
139.08736	6.2
143.11917	36.3
152.01205	4.3
152.07175	3.1
159.68272	1.3
161.08243	1.8
167.03529	5.7
167.08235	1.9
169.13510	5.2
177.02046	2.0
182.05756	3.7
182.09016	2.4
187.10887	3.4
191.05646	5.0
195.15025	5.5
197.16623	9.0
199.18163	3.7
225.16112	22.0
226.08060	1.4
226.16405	2.2
242.96573	1.4
243.17097	7.9
256.20316	29.9
257.20575	2.0
282.21838	2.7
300.19327	97.9
301.19672	8.4
326.11191	1.6
344.21954	26.6
345.06006	1.5
345.12030	2.2
345.15729	1.4
345.22165	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	345.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39249	1.3
59.01384	28.0
67.46017	1.1
67.71682	1.2
71.01387	5.3
71.27328	1.8
74.02476	1.5
83.01394	1.7
85.02967	2.7
87.00900	3.4
89.02439	3.0
93.03476	6.5
101.02455	2.2
104.03597	1.3
121.02977	28.1
122.03302	1.3
123.04543	100.0
123.72207	1.7
124.04893	3.5
135.04543	4.9
138.59947	1.2
140.00722	1.1
142.01668	1.6
147.01604	1.2
149.02502	3.3
155.11916	1.2
173.04568	1.6
183.06688	1.7
191.05618	1.6
196.90239	1.1
229.04408	3.3
285.04047	2.0
285.58353	1.3
286.14032	2.4
292.40051	1.5
305.08112	1.4
316.15149	2.6
345.10529	2.7
346.16147	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	345.1194
Annotation	Iridoid glycoside
Peak:m/z	Relative Intensity
51.51805	4.1
54.58025	3.5
59.01381	36.7
60.82003	3.8
62.60346	4.3
65.03968	6.8
70.82751	9.2
71.01391	53.3
73.02958	6.3
73.04075	8.7
73.24927	4.1
74.02489	5.0
78.71012	3.4
83.01415	4.5
83.05026	5.4
85.02969	16.8
88.04073	4.3
89.02441	22.9
90.25607	4.5
90.80138	4.5
91.05564	21.8
93.07107	4.6
95.01391	7.1
96.00961	5.7
101.02460	32.2
103.05550	19.3
106.04279	16.3
106.38066	4.4
108.20316	4.0
109.06606	56.1
110.02522	6.7
110.03759	19.1
111.08202	6.4
113.02493	19.1
113.03588	6.5
115.06825	3.8
119.03501	11.8
119.05039	11.6
121.06612	100.0
121.07443	6.9
124.04016	4.2
125.02476	6.3
127.05177	4.2
128.03569	16.8
130.08765	36.8
139.07652	48.7
141.06735	3.9
153.01958	15.6
161.04541	11.5
165.05583	21.3
168.04324	20.2
172.00992	6.0
183.06636	40.9
196.48407	3.9
197.13007	5.5
207.90964	4.0
214.08066	4.2
223.10872	6.4
230.30122	4.0
267.09891	32.2
284.12585	12.0
285.07401	9.4
290.97177	5.6
298.14102	7.0
303.08484	7.9
316.14728	4.8
328.14978	7.1
345.12158	6.9
345.18222	6.0
346.16516	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	345.1557
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
57.03450	2.2
57.10167	1.2
58.00600	2.8
59.01385	69.2
60.01693	1.5
61.48629	1.2
71.01390	40.6
71.26763	1.4
72.99310	5.1
80.05198	1.2
83.01379	2.3
85.02974	8.1
89.02455	33.6
95.01397	2.2
99.00878	1.4
99.72089	1.2
101.02448	22.4
113.02457	12.6
119.03529	16.4
119.08732	1.7
121.10252	46.5
122.10597	3.8
126.85776	1.1
137.09744	9.5
143.03519	1.5
154.14780	1.2
161.04599	1.3
165.05542	2.1
165.09221	77.0
166.09546	4.4
179.05658	2.0
183.10287	47.6
184.10654	2.5
196.79314	1.1
225.11351	1.6
345.15549	100.0
345.22568	5.2
346.15820	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.42206	1.3
57.03464	3.2
58.00623	2.7
59.01387	100.0
64.65672	1.3
69.17184	1.5
69.28614	6.0
69.29035	3.7
71.01390	57.0
72.99309	5.6
73.02931	2.1
75.00938	1.4
80.60860	1.3
83.01381	1.6
85.02955	10.9
87.00877	3.6
89.02457	63.0
93.03466	2.9
95.01417	4.0
101.02458	30.8
111.08169	2.1
113.02473	21.1
119.03516	27.9
119.08650	1.5
121.10255	61.6
122.10521	2.0
131.03549	2.2
133.03009	1.9
134.03708	2.1
135.04507	3.0
143.03523	2.7
145.02974	2.7
149.06036	1.9
155.07208	1.5
161.04602	2.8
165.09288	1.6
173.04533	3.3
179.03494	2.2
179.05569	4.2
183.10260	1.6
191.05692	3.9
199.06030	1.4
201.11272	1.9
227.12915	5.7
250.06641	3.5
267.06528	1.9
297.11523	1.9
308.12103	1.5
345.15576	27.3
345.22601	2.6
346.16156	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	345.1558
Annotation	Eucalmaidin A
Peak:m/z	Relative Intensity
54.20020	1.3
55.01870	1.6
58.00605	4.5
59.01386	100.0
67.01901	2.2
69.05595	12.8
71.01392	53.3
71.05039	2.0
72.99321	4.6
73.02946	1.7
75.00861	2.0
81.03450	2.9
81.35603	1.6
83.01399	2.3
85.02980	11.2
87.00882	1.7
89.02454	46.5
95.01408	4.4
97.02964	3.0
101.02455	28.2
102.93181	1.4
113.02464	20.4
119.03502	17.6
121.10254	9.7
139.11322	19.3
143.03479	2.4
161.04575	1.9
163.11324	4.9
165.09222	19.1
169.34840	1.5
179.05708	2.3
181.12367	3.0
183.10304	14.2
194.65363	1.7
201.11342	2.0
207.10309	5.0
227.12946	5.7
301.64325	1.6
345.15710	2.8
345.22815	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01888	1.2
57.03452	1.5
58.00585	4.4
59.01385	100.0
60.01713	1.5
71.01389	57.6
72.01710	1.2
72.99306	4.7
73.02955	2.2
83.01398	1.5
85.02963	10.6
87.00874	3.1
89.02453	69.2
90.02811	1.2
95.01380	4.3
97.38017	1.0
98.21712	2.3
99.00861	1.3
101.02449	30.4
105.09892	1.5
113.02460	23.1
119.03505	28.9
121.09382	2.1
121.10242	32.8
122.03711	1.1
122.10585	1.3
131.03510	3.0
143.03503	2.9
147.04506	2.4
149.04640	2.5
161.04573	3.4
165.05562	3.3
176.96404	1.1
179.05626	5.4
182.56636	1.1
183.10376	1.5
189.97913	1.0
217.63460	1.0
221.79454	1.1
301.50104	1.2
345.15585	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	345.1558
Annotation	Eucalmaidin A
Peak:m/z	Relative Intensity
54.13961	1.9
55.01896	2.7
58.00048	1.6
58.00601	5.0
59.01387	100.0
67.01898	1.8
71.01392	66.6
72.99335	5.7
73.02948	3.1
83.01382	3.4
85.02967	15.6
87.00884	3.6
89.02454	59.7
95.01434	4.4
101.02451	31.5
113.02473	28.9
119.03503	21.1
121.10259	6.5
139.11293	24.2
143.03505	2.4
149.45168	1.8
160.53758	2.0
161.04547	2.7
163.11333	5.3
165.09224	18.9
167.24251	2.0
179.05717	2.4
183.10277	11.6
186.93265	1.8
194.68939	2.2
201.11331	3.1
207.10324	2.7
212.10890	2.0
227.12849	4.2
228.74919	2.5
267.62231	2.4
286.26718	2.2
345.22812	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	345.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12090	8.6
59.01383	13.3
66.48075	10.4
69.57467	44.9
83.05032	100.0
96.95986	13.0
98.22520	11.3
103.05579	27.2
113.06091	12.5
114.87047	9.3
136.31859	10.0
145.05133	15.5
150.60405	11.8
202.98813	11.5
241.10826	16.7
241.20282	9.9
277.44452	10.5
291.19635	17.8
309.20779	19.2
345.20624	14.9
352.75839	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	345.2284
Annotation	oscr#20
Peak:m/z	Relative Intensity
57.03448	1.3
71.05013	0.6
73.02962	0.6
78.78027	0.6
80.13837	0.5
80.81952	0.5
83.05035	2.8
84.02163	0.8
85.02959	1.4
85.06581	0.8
97.06601	1.1
97.92017	0.6
98.21714	0.9
99.08163	3.9
111.08178	1.1
113.09705	1.0
123.08167	1.8
125.09729	2.3
127.07649	0.6
127.11274	0.9
129.09245	0.7
135.85678	0.6
137.09726	1.2
141.09216	1.6
151.11285	1.1
152.01138	0.7
153.12859	1.6
163.11310	1.8
167.03465	0.6
169.12325	0.8
171.10315	1.2
181.12358	11.1
182.12735	0.8
183.60674	0.5
201.11377	1.7
211.67610	0.5
227.12866	3.9
245.13905	2.7
327.21802	0.6
345.22833	100.0
346.23221	10.6
346.27240	0.4
363.57315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.9
58.00591	2.2
59.01379	3.3
59.22072	0.8
68.93236	0.8
69.03468	0.8
69.43175	1.5
69.43501	5.8
69.96736	1.0
71.01385	1.4
73.02946	1.3
75.35162	0.8
80.02695	0.8
84.02173	3.1
99.08163	3.6
113.09740	2.7
123.65143	1.0
125.09734	7.5
126.10123	0.9
127.11276	2.5
129.09241	2.3
137.09792	1.9
139.11346	1.4
141.09239	2.8
141.12852	1.2
143.10730	1.7
155.10789	2.1
171.08809	1.3
171.10292	23.2
185.11827	12.2
197.11845	6.2
199.09756	1.1
199.13370	1.1
201.11339	15.2
202.98694	1.1
203.12950	1.0
209.11867	3.1
213.11450	2.3
215.12897	2.6
243.12460	0.8
291.19659	1.0
291.29578	0.9
327.21860	3.7
345.22852	100.0
346.23196	10.4
362.27151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2286
Annotation	oscr#20
Peak:m/z	Relative Intensity
53.44643	1.1
59.01386	8.2
61.97543	1.0
70.55074	2.5
71.01390	1.3
73.02963	2.1
78.40726	1.2
84.02187	1.9
89.28626	1.1
98.81243	1.0
99.08143	2.4
103.59093	1.1
113.09726	3.9
125.09734	4.3
127.11292	2.7
129.09219	1.4
141.09219	5.6
143.10768	1.4
155.10815	2.2
171.10278	32.2
185.11879	6.6
187.17932	1.2
197.11876	8.1
201.11308	9.3
215.12810	1.8
291.19781	1.7
293.90213	1.1
327.21762	5.2
345.22852	100.0
346.23175	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	346.012
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44752	0.6
59.01385	71.4
59.33868	0.7
60.01722	7.1
61.01802	1.6
61.94091	0.8
61.98838	100.0
69.10667	5.8
130.36064	0.7
158.03809	1.7
159.03278	3.5
160.01732	1.3
160.97693	0.9
161.01340	0.9
174.99266	1.2
189.58502	0.8
201.02577	7.7
202.02742	27.6
202.99013	3.8
203.02299	34.0
203.98308	2.5
204.00076	40.9
204.02802	9.2
205.00235	2.0
217.00339	0.9
225.97711	0.7
346.04083	1.5
363.53592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0561
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
53.02956	0.7
59.01383	15.7
60.01713	1.5
61.98838	21.1
69.36158	1.6
69.36560	4.4
71.01385	2.1
73.52887	0.9
74.02478	3.0
78.95913	62.4
87.00859	1.2
88.04051	0.9
93.03479	0.9
96.96974	15.3
104.03550	2.8
107.03661	2.0
113.02335	1.0
115.00363	0.8
118.98127	1.0
119.76019	0.8
120.96988	6.4
127.05158	1.3
128.03522	2.3
130.08795	1.2
134.04745	36.0
137.02461	1.2
140.40079	0.8
141.01848	1.6
141.06696	1.1
143.11853	0.8
155.11952	1.6
159.01447	1.0
160.97743	0.9
161.04602	1.0
174.99234	1.5
180.10358	1.8
186.12497	2.8
187.10858	1.3
201.02589	1.2
202.02742	4.9
202.98772	6.6
203.02269	5.3
203.98277	4.2
204.00009	8.2
204.02821	1.5
205.02724	1.0
211.00150	100.0
212.00464	2.9
217.00275	0.8
230.15048	0.9
241.11755	1.0
266.15067	1.4
286.07977	1.6
287.06076	1.1
298.13986	1.3
304.07883	2.1
311.10098	1.0
328.15134	1.0
346.05127	6.3
346.09418	1.2
346.16013	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	347.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76843	2.8
59.01382	31.1
63.57006	3.5
67.65692	3.4
68.69980	3.2
68.96773	5.2
68.97176	33.4
70.16284	3.0
71.01399	26.2
83.41169	3.5
85.02943	4.0
89.02457	52.7
101.02470	4.3
111.00888	8.9
119.03430	3.4
128.03545	4.0
131.03540	5.5
133.01361	3.9
149.04588	30.1
160.41982	3.5
161.04587	11.4
182.97946	4.7
287.02512	3.9
311.09888	100.0
312.10431	4.5
347.07455	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	347.1716
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
52.94022	1.8
53.16190	2.0
55.01894	2.4
57.03444	2.9
57.81568	2.7
58.00588	2.2
59.01093	3.7
59.01386	65.6
62.97044	2.6
68.96073	5.5
68.96477	18.9
71.01389	36.1
72.99306	3.9
73.02966	6.3
78.62469	2.0
83.01389	4.5
85.02980	9.9
89.02451	29.9
90.32861	2.0
95.01418	4.3
95.68842	2.0
98.22522	5.5
101.02445	26.0
105.94548	2.0
106.04588	1.9
106.73166	1.9
107.37875	2.0
113.02490	11.7
119.03513	9.7
125.46581	1.9
167.07123	6.3
167.10768	11.5
185.11877	6.7
347.17188	100.0
348.17578	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	347.1713
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01871	1.7
56.27002	0.8
57.03431	1.4
58.00580	1.9
59.01389	46.3
69.21278	0.9
69.27611	1.3
69.28011	6.6
71.01389	30.4
72.99316	8.7
73.02927	1.2
83.01411	1.7
83.28522	0.9
85.02968	6.7
87.00877	2.2
89.02457	28.7
95.01389	2.7
96.03688	1.0
97.46621	1.0
99.08199	1.1
101.02458	22.3
113.02481	9.8
113.71838	0.9
119.03516	14.7
129.05679	0.9
133.38188	1.0
139.11308	5.6
153.71820	0.9
161.04541	1.0
167.10799	100.0
168.11110	6.7
168.91437	0.9
179.05583	1.8
184.75134	0.9
185.11858	22.2
186.12160	1.8
189.02110	1.0
259.93585	0.9
347.17145	73.8
348.17755	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	347.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53612	19.8
58.95204	17.9
59.01376	43.6
61.98823	31.2
69.92577	100.0
80.28137	23.0
100.42053	19.0
162.96992	20.4
202.98747	25.6
219.19432	21.8
265.18167	27.6
305.37460	21.8
315.91797	21.0
347.22058	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19658	22.7
59.01376	100.0
71.01384	50.1
98.21719	50.0
99.26643	25.1
109.66074	24.4
167.59364	27.8
195.58606	25.6
204.60667	22.9
285.03973	94.3
352.38315	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	41.0
69.06868	24.5
69.07277	7.1
71.01392	26.2
73.02948	5.3
78.93365	3.4
85.02959	19.0
89.02456	38.6
93.03480	11.3
101.02424	19.0
113.02481	4.3
119.03514	13.3
131.03459	6.2
138.80103	3.6
141.44978	3.9
142.96637	7.9
149.04555	8.0
151.06071	10.0
158.27783	3.5
160.97662	4.2
161.04556	3.9
166.76955	3.5
179.05606	14.7
184.97679	29.3
191.05612	73.6
202.98755	18.4
210.99290	4.5
258.74426	3.4
289.02469	100.0
311.09885	16.4
313.11404	86.8
315.25403	3.3
324.35422	3.7
349.04703	10.7
349.09210	41.0
349.19022	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1144
Annotation	Prodiamine
Peak:m/z	Relative Intensity
55.59639	0.8
57.03442	3.5
58.65559	0.8
59.01387	20.8
59.08084	0.8
62.56152	0.7
67.01888	1.3
68.99821	2.0
69.03476	1.4
69.45945	3.2
69.46354	1.9
71.01389	17.8
72.99314	6.2
73.02948	1.6
75.00884	20.8
83.01409	1.4
85.02968	21.2
87.00870	7.0
89.02477	4.7
95.01381	5.4
98.21835	1.3
99.00896	11.0
99.04532	100.0
100.04867	2.9
103.00376	2.0
111.00854	0.9
113.02466	26.0
113.48018	0.8
114.02779	0.9
115.00423	1.8
117.01955	3.1
129.01903	2.0
133.13411	0.9
134.68132	0.9
175.02538	2.1
187.56717	0.9
205.07195	0.9
226.15096	1.1
231.05083	2.0
249.06166	25.8
250.06462	1.4
260.72797	0.9
267.07233	11.8
267.09866	1.2
289.09439	1.3
331.10428	3.6
349.11429	52.3
350.11765	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	349.187
Annotation	Rhodioloside D
Peak:m/z	Relative Intensity
55.01884	5.4
55.94393	1.0
57.03448	3.1
58.00591	3.5
59.01386	73.3
60.01709	1.1
71.01392	100.0
72.01737	1.0
72.99308	3.9
73.02956	24.4
75.00873	1.9
83.01392	10.1
85.02963	35.4
85.03492	1.8
86.00124	1.2
86.03331	1.8
87.00891	17.8
89.02454	41.3
95.01413	5.3
97.02947	1.6
99.00898	9.1
101.02454	63.1
102.02782	2.4
113.02460	34.6
119.03512	15.8
129.01976	1.2
131.03506	1.4
141.09242	21.9
142.09546	1.1
143.03523	3.0
143.10747	5.8
159.02986	7.5
161.04581	29.9
179.05623	2.5
185.48895	1.0
187.13414	2.5
258.22308	1.0
259.15475	1.7
317.20374	1.2
328.82391	1.1
349.18726	18.4
350.19391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
57.03437	2.9
58.00609	2.6
59.01385	80.1
69.26028	9.3
71.01391	100.0
72.01735	1.4
72.99311	3.4
73.02956	23.3
76.95325	1.4
83.01401	8.9
85.02963	31.8
87.00885	13.6
89.02456	35.6
95.01399	6.7
97.02940	2.7
98.21779	2.8
99.00919	10.2
101.02454	68.4
101.03124	3.3
102.02767	1.5
113.02468	35.7
115.45105	1.2
119.03530	15.9
125.02419	1.9
128.31322	1.2
129.01961	3.0
141.09235	23.0
143.03561	2.9
143.10812	6.1
159.02998	6.7
161.04575	25.8
179.05705	2.1
187.13464	2.4
257.11749	1.2
264.16550	1.6
349.03342	2.0
349.18777	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	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03457	5.5
58.00586	4.6
59.01387	100.0
60.01705	1.8
68.99809	1.8
69.03469	2.4
69.13254	8.4
71.01389	86.4
72.99325	8.8
73.02955	12.2
73.04071	3.9
73.59166	1.0
75.00883	13.1
79.93970	6.1
80.93896	1.1
81.93549	3.2
82.02964	1.2
83.01403	8.1
85.02962	36.8
87.00893	6.1
87.04514	1.5
89.02455	57.5
95.01402	8.9
96.04559	1.7
98.02496	2.3
99.00895	12.9
99.04532	80.2
100.04869	3.5
101.02455	47.0
102.98623	3.7
103.00356	2.1
109.70462	1.3
111.00868	1.5
112.04101	1.5
113.02464	49.6
113.23330	1.3
115.00397	1.7
115.04002	1.1
117.01978	2.4
119.03523	28.3
125.02433	1.4
128.03542	1.9
129.01938	3.1
131.03462	1.9
136.70288	1.2
139.05154	3.5
141.09206	3.6
143.03520	4.9
147.04524	2.9
149.04640	1.5
151.06332	1.2
161.04584	15.7
164.07167	5.0
166.01418	2.5
169.08649	1.6
175.02499	2.0
177.10336	1.3
179.05641	6.7
187.09825	8.2
187.13409	7.4
231.05022	2.3
231.12390	1.7
243.11372	2.6
249.06169	25.4
250.06451	1.4
267.07230	1.7
267.14203	1.7
272.75464	1.1
287.10342	4.8
303.09964	3.8
331.09927	4.5
349.11258	43.7
349.15082	18.4
349.18716	30.0
350.11707	3.6
350.15536	2.4
350.19055	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	349.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
57.03457	5.5
58.00586	4.6
59.01387	100.0
60.01705	1.8
68.99809	1.8
69.03469	2.4
69.13254	8.4
71.01389	86.4
72.99325	8.8
73.02955	12.2
73.04071	3.9
73.59166	1.0
75.00883	13.1
79.93970	6.1
80.93896	1.1
81.93549	3.2
82.02964	1.2
83.01403	8.1
85.02962	36.8
87.00893	6.1
87.04514	1.5
89.02455	57.5
95.01402	8.9
96.04559	1.7
98.02496	2.3
99.00895	12.9
99.04532	80.2
100.04869	3.5
101.02455	47.0
102.98623	3.7
103.00356	2.1
109.70462	1.3
111.00868	1.5
112.04101	1.5
113.02464	49.6
113.23330	1.3
115.00397	1.7
115.04002	1.1
117.01978	2.4
119.03523	28.3
125.02433	1.4
128.03542	1.9
129.01938	3.1
131.03462	1.9
136.70288	1.2
139.05154	3.5
141.09206	3.6
143.03520	4.9
147.04524	2.9
149.04640	1.5
151.06332	1.2
161.04584	15.7
164.07167	5.0
166.01418	2.5
169.08649	1.6
175.02499	2.0
177.10336	1.3
179.05641	6.7
187.09825	8.2
187.13409	7.4
231.05022	2.3
231.12390	1.7
243.11372	2.6
249.06169	25.4
250.06451	1.4
267.07230	1.7
267.14203	1.7
272.75464	1.1
287.10342	4.8
303.09964	3.8
331.09927	4.5
349.11258	43.7
349.15082	18.4
349.18716	30.0
350.11707	3.6
350.15536	2.4
350.19055	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	349.1873
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01390	34.4
63.11716	1.6
70.16413	5.3
70.16804	3.0
71.01389	19.0
72.11707	1.7
72.99310	1.7
85.02947	3.7
87.00892	2.0
89.02454	15.6
95.01406	2.6
101.02453	14.1
107.37605	2.6
110.53189	1.8
113.02460	5.7
114.02773	1.9
119.03526	4.6
121.22747	1.7
141.12889	31.2
142.13232	2.3
157.45181	1.7
162.73137	1.6
169.12340	6.9
187.13426	62.6
188.13670	4.0
207.42186	1.9
229.14458	2.3
239.87498	1.9
250.66278	1.7
328.88693	1.8
338.74631	1.6
349.18704	100.0
350.19119	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	349.1995
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03447	1.0
59.01384	2.9
59.76067	0.9
60.49518	0.9
64.98306	1.1
68.55139	0.9
69.03458	1.2
71.01393	2.9
71.05042	1.1
71.28069	1.2
77.14967	0.9
83.05044	1.2
83.55638	0.9
84.02193	2.1
85.02984	1.1
89.02475	1.0
95.05066	1.0
97.02953	1.3
97.06663	0.9
113.46445	1.1
127.07683	1.4
137.09724	3.5
139.11316	1.6
139.81818	0.9
141.09288	1.3
141.12881	1.4
151.11287	0.9
153.12859	2.3
155.10825	0.8
163.11273	3.0
165.12871	25.4
166.13196	2.3
170.77156	0.8
179.10632	2.0
187.13432	2.7
191.06935	1.8
193.08470	9.8
193.12296	1.3
201.08919	1.0
203.10556	1.2
205.08496	1.3
205.12100	4.5
207.10042	17.2
208.46317	0.9
209.11821	1.0
215.10577	1.0
219.10016	6.7
221.11607	10.4
231.10045	10.8
233.11613	100.0
234.11975	6.4
235.09523	1.2
243.10020	2.3
247.09604	2.2
248.10345	2.2
249.11139	11.4
250.11499	1.1
251.12750	24.4
252.13133	2.0
254.00801	1.0
261.11115	19.9
262.11548	1.9
284.23721	0.9
313.07959	1.0
313.17783	4.6
324.91812	0.9
331.18994	10.4
349.19833	14.3
350.19943	1.3
374.94193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.9
59.01386	11.9
59.86998	0.8
68.99800	1.2
69.66045	4.1
71.01393	11.1
72.99300	3.8
73.02960	1.4
75.00880	12.7
85.02959	14.5
87.00881	6.8
89.02456	2.3
95.01385	4.6
99.00879	9.0
101.06094	100.0
102.06393	2.1
103.00375	1.6
113.02464	18.9
114.02751	1.0
115.00374	0.9
117.01971	2.7
129.01965	1.3
157.01355	1.4
175.02312	0.9
181.54092	0.8
223.59444	0.9
231.05133	2.7
249.06192	15.2
291.11142	1.2
333.11783	2.4
351.12973	48.3
352.13257	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	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03437	2.3
58.00587	0.8
59.01097	1.2
59.01387	23.0
71.01035	1.2
71.01393	15.2
71.08004	1.5
72.99325	4.2
73.02935	2.1
75.00885	13.9
83.01353	0.9
85.02965	20.3
87.00890	6.7
89.02448	3.0
89.35091	0.7
93.03484	2.6
95.01386	4.2
95.05034	0.8
99.00892	10.4
101.02451	1.8
101.06096	100.0
102.06438	3.5
103.00382	2.3
109.02992	0.8
113.02470	25.1
115.00374	1.6
117.01955	2.3
123.04546	1.7
129.01994	1.8
133.02980	6.1
135.04553	1.4
150.03238	1.0
171.10298	1.0
172.26146	0.8
173.04541	6.2
175.02502	3.4
177.01939	2.1
191.05577	1.6
205.07187	1.1
212.47884	0.8
215.05775	1.0
231.05069	1.0
243.08578	0.7
249.06091	5.2
267.07260	2.0
270.57990	0.9
291.10834	1.0
296.74127	0.7
307.14206	0.9
333.11911	3.1
351.12991	62.9
351.16602	3.8
352.13467	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37358	0.9
59.01384	100.0
69.50612	7.1
87.00832	1.0
133.02969	3.4
140.41949	1.1
173.04669	1.8
177.01913	2.2
186.15601	1.2
191.05666	2.9
254.86003	1.2
308.13474	1.2
351.21677	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	351.171
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01369	18.2
61.98844	17.8
64.15179	8.9
69.41287	37.6
69.41699	17.7
96.96024	8.1
116.92907	8.1
121.10185	9.5
125.31519	8.2
140.65923	8.8
171.10316	20.3
186.95648	8.4
187.68565	9.0
192.95901	13.8
245.33240	8.2
275.20160	16.6
293.21396	21.7
340.08807	9.4
344.94391	9.9
351.17032	100.0
374.15750	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	351.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	12.7
57.03472	7.1
58.00592	3.4
58.01092	1.1
59.01387	68.6
68.08170	1.2
69.03449	1.6
70.42822	4.1
71.01390	100.0
72.99310	4.5
73.02957	35.8
75.00865	4.9
79.79588	1.3
79.90430	1.1
81.03479	1.4
83.01405	18.8
84.02188	1.2
85.02962	56.1
86.00122	3.1
87.00893	7.4
89.02452	16.6
90.25709	1.3
93.03458	4.7
95.01392	8.9
97.02998	2.4
99.00892	16.5
101.02457	78.7
101.06100	11.2
102.02796	1.3
111.00904	10.7
113.02468	42.9
119.03507	5.2
125.02475	5.8
129.01958	2.5
133.02994	6.9
133.03801	1.2
135.04500	2.2
143.03520	4.5
157.12326	2.1
159.03033	12.6
161.04572	36.7
173.04604	3.9
177.01898	1.4
189.14990	7.1
191.05634	8.7
203.34180	1.2
205.03481	5.5
230.98772	1.2
259.15451	1.3
339.04855	1.5
351.13022	5.6
351.20270	89.2
352.20724	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	351.218
Annotation	CAPILLOLIDE
Peak:m/z	Relative Intensity
57.03457	5.1
59.01104	1.7
59.01385	28.6
71.04738	0.6
71.05029	7.7
83.05016	2.4
86.28053	0.7
87.16235	0.8
96.96024	0.8
97.06590	8.9
111.08156	1.7
158.21153	0.7
181.16000	2.3
186.95425	0.7
192.95898	1.3
247.20837	1.6
263.20056	1.0
263.74399	0.8
265.21713	14.9
266.22107	2.3
273.18607	9.6
291.19855	1.8
303.78729	0.7
307.19650	0.6
307.22800	15.6
307.25989	0.5
308.23114	1.7
333.20721	18.6
334.21182	3.1
351.21790	100.0
352.22174	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	2.2
61.86838	0.4
64.31926	0.3
69.03464	0.3
69.12991	2.6
71.01360	0.6
73.02959	0.4
85.02956	8.3
87.00883	2.0
93.03467	3.7
93.76286	0.4
99.04545	0.7
109.02949	0.7
111.04508	1.1
127.04026	1.7
133.02936	0.6
135.04543	2.2
151.57777	0.4
161.02469	1.8
173.04561	1.9
179.03531	1.9
191.05626	100.0
192.05939	5.3
305.50571	0.3
325.68582	0.5
353.08701	1.0
361.41049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.67145	0.4
59.01368	1.4
69.29970	2.1
69.30390	1.4
71.01366	1.2
73.02998	0.5
80.09016	0.5
85.02969	6.3
87.00888	2.1
93.03465	4.3
98.62089	0.4
99.04513	0.8
111.04583	1.1
127.04014	1.9
133.02965	0.6
134.03763	0.6
135.04533	6.1
148.71130	0.5
161.02477	1.6
171.03008	0.9
173.04562	5.3
179.03517	5.3
191.05632	100.0
192.06017	3.9
246.11198	0.5
271.40512	0.5
353.10666	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	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53554	0.3
56.81218	0.3
59.01385	0.9
68.31529	0.3
69.26577	1.1
69.27000	1.2
71.01367	0.6
73.02953	0.4
74.22791	0.3
85.02480	0.6
85.02960	7.8
87.00889	1.6
90.25598	0.4
93.03459	4.0
97.29581	0.3
97.30154	0.3
109.02994	0.8
111.04533	0.8
127.04046	1.9
135.04538	3.5
147.80446	0.4
150.57072	0.4
150.99030	0.4
155.03497	0.3
161.02469	1.9
173.04572	3.2
179.03574	2.6
191.05632	100.0
192.05971	3.5
197.12550	0.3
219.28589	0.4
294.12836	0.4
353.08682	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01378	2.6
64.55973	0.7
67.01901	5.1
69.03470	1.7
69.15204	5.1
71.01384	4.3
74.53774	0.7
81.03468	1.2
83.05014	1.1
85.02966	9.1
87.00876	1.7
93.03471	30.5
94.03773	1.0
99.04511	1.1
99.36215	0.7
101.99180	0.8
107.05047	1.1
109.02969	2.2
111.04545	8.2
117.03501	0.7
127.04041	2.3
133.02933	1.8
134.03766	4.3
135.04547	79.8
136.04872	3.6
137.02457	5.8
146.47919	0.8
155.03502	5.7
161.02441	3.9
173.04572	100.0
174.04916	4.1
179.03522	66.0
180.03874	4.3
191.05638	57.1
191.08176	1.0
192.05983	1.3
240.06674	0.8
353.08850	11.0
354.09265	0.9
363.21576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0882
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
58.53861	0.3
59.01380	1.5
60.08525	0.3
67.01894	0.3
67.52815	0.2
69.37804	1.6
71.01382	0.7
73.02937	0.3
83.05041	0.3
85.02960	8.5
87.00875	1.4
90.33561	0.3
93.03468	3.3
96.54046	0.3
99.04538	0.3
101.02463	0.4
101.06090	0.6
109.02959	0.7
111.04529	1.1
113.02417	0.6
127.04046	1.6
129.13036	0.2
133.02939	1.1
135.04575	0.6
161.02438	2.3
161.38341	0.2
171.02969	0.7
173.04546	1.1
179.03531	0.8
181.84988	0.3
191.05634	100.0
191.57103	0.3
192.05963	3.9
231.17433	0.3
280.58829	0.3
316.18240	0.3
353.08810	1.0
353.13501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0883
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01389	2.6
67.01888	0.8
71.01379	1.5
71.27959	0.6
75.98946	0.3
80.43995	0.4
83.01367	0.5
83.05047	0.7
85.02959	8.4
86.03287	0.4
87.00865	1.8
89.96616	0.4
91.01732	0.3
93.03473	4.7
109.02898	0.9
111.04533	1.8
113.02465	0.5
120.99683	0.6
127.04019	2.3
133.02939	0.9
134.03725	0.7
135.04532	8.3
155.03491	0.7
161.02489	2.3
171.03023	0.5
173.04565	8.2
174.04924	0.7
179.03520	5.9
180.03825	0.5
191.05632	100.0
192.05940	3.8
281.07489	0.4
353.08908	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	353.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83786	1.2
59.01385	17.1
67.01897	2.9
68.17258	1.1
69.03455	5.0
70.61788	2.8
71.01391	10.1
73.02887	1.3
78.95924	1.7
85.02959	5.7
87.00879	3.8
89.02451	7.0
92.92805	2.0
93.03468	38.5
94.03780	1.7
94.92538	2.1
99.00912	1.2
99.04532	5.8
101.02446	5.2
109.02972	1.5
111.00885	2.8
111.04535	10.5
113.02451	5.4
119.03545	2.4
121.95489	1.1
127.04076	1.2
128.89221	2.8
130.88962	2.8
137.02457	2.9
143.03499	2.7
145.06158	1.3
150.26920	1.2
155.03499	1.9
156.36716	1.0
173.04582	31.5
191.05638	10.9
203.02101	1.8
203.99200	1.1
249.00223	2.0
353.10928	100.0
354.11340	7.8
365.05801	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
58.18316	0.7
59.01104	0.9
59.01386	15.8
60.99302	1.8
65.41986	0.6
67.01899	3.9
69.03462	2.3
69.12894	6.3
71.01396	9.4
72.71978	0.8
72.99310	1.2
73.02959	1.5
73.58704	0.7
81.03468	1.7
83.05045	1.4
85.02960	3.5
87.00887	4.1
89.02463	6.1
93.03472	35.4
94.03831	0.8
95.01407	1.3
99.00855	1.0
99.04550	4.3
101.02467	6.5
109.02945	0.9
109.41834	0.7
111.00848	0.8
111.04528	9.1
113.02489	4.3
119.03526	3.0
127.04030	0.9
137.02455	2.9
143.03525	3.4
155.03529	2.2
161.04559	0.8
173.04581	30.3
174.04918	1.6
191.05650	12.8
224.64313	0.7
293.01871	1.3
353.10928	100.0
354.11304	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	353.187
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
53.07133	4.6
54.84177	4.4
59.01369	5.8
61.98836	4.9
71.28403	6.4
75.00874	12.0
94.83035	4.0
97.47261	4.9
156.18103	5.7
163.77998	4.2
171.10303	17.3
191.05554	9.4
266.31519	4.5
272.35797	4.4
277.21811	20.5
295.22745	33.7
317.21054	5.5
353.18616	100.0
354.18839	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1976
Annotation	Hexamidine
Peak:m/z	Relative Intensity
50.80995	1.0
51.89242	1.1
52.99906	1.1
59.01388	9.3
61.10546	1.1
61.36608	1.1
61.98830	2.0
65.41490	1.2
69.64998	6.1
71.97330	1.2
86.85201	1.0
98.22488	1.3
101.45969	1.1
111.78763	1.1
114.44891	1.2
191.05646	3.6
239.96851	1.2
249.18607	34.8
250.18982	3.7
291.19647	2.6
309.20755	83.2
310.21082	10.3
335.18622	6.4
336.19183	1.4
353.19730	100.0
354.20096	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	353.2125
Annotation	Guayulin B
Peak:m/z	Relative Intensity
69.04876	1.1
69.05312	1.1
76.93340	0.2
79.95766	0.2
85.29960	0.2
94.98078	0.3
96.96021	4.5
141.55173	0.2
147.08156	0.5
161.06172	0.3
163.11304	100.0
164.11630	6.6
169.12306	0.4
177.09225	74.1
178.09578	4.5
191.05679	0.4
222.09047	0.7
353.21228	87.9
354.21576	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	353.3065
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
53.10793	3.1
65.95183	2.8
66.29903	2.8
70.32413	3.0
70.33192	11.5
79.95692	3.1
93.62524	3.8
96.96047	4.7
108.50308	3.5
132.93449	3.6
133.92563	3.7
162.68967	3.7
169.08719	3.0
194.24072	3.3
264.67010	3.5
307.30093	53.2
308.30569	9.7
353.20261	5.4
353.30621	100.0
354.30930	10.0
377.10385	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	354.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
55.56699	1.7
56.01231	1.7
57.03443	4.9
59.01384	62.9
70.62555	4.6
71.01387	72.4
72.99298	3.4
73.02958	14.5
83.01395	4.4
85.02957	44.3
86.03326	1.8
87.00877	3.5
89.02453	31.0
93.03461	3.0
95.01403	6.1
99.00903	5.3
101.02451	34.8
113.02462	27.8
116.07800	1.6
119.03519	11.5
119.44083	1.8
128.05069	11.9
129.02002	2.6
130.06638	100.0
131.07005	3.9
134.03775	13.4
135.03787	1.4
135.04575	14.4
136.04861	14.1
144.04565	3.2
146.06107	2.0
147.03030	1.9
148.07709	9.5
149.06117	3.9
159.02963	5.5
161.04593	18.7
161.89832	1.7
172.04048	2.3
173.04555	1.6
173.35226	1.8
174.05663	17.9
178.02750	4.1
179.03490	8.8
179.05713	2.4
180.03860	14.7
191.02058	5.0
191.05627	30.5
191.23746	1.4
192.05946	20.5
193.04932	12.6
209.03079	9.8
252.11948	1.9
354.12347	2.9
355.09952	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	354.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	100.0
66.29442	19.4
71.01392	28.4
71.26997	35.2
71.51452	17.7
72.89863	16.3
74.41785	20.4
85.02959	30.0
120.52185	18.9
130.08786	20.7
134.03735	30.9
141.57408	21.5
170.97913	19.8
177.58641	19.4
191.05597	86.3
192.05991	30.6
193.05032	70.6
199.89685	19.1
202.55829	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26913	9.3
71.74084	7.3
72.99307	11.0
92.88332	5.8
93.72173	7.3
130.08757	55.6
142.08801	7.9
144.10286	18.9
154.75366	6.8
165.09189	12.8
167.10773	8.3
188.09309	20.0
191.05638	6.8
192.05963	8.5
354.19312	100.0
355.12357	9.6
355.19611	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	355.1039
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
55.57008	0.7
59.01390	4.9
69.44170	4.2
71.01384	2.7
73.02950	0.9
73.54579	0.7
75.00511	0.8
75.00868	4.5
75.31641	0.7
81.03456	2.0
81.68591	0.8
85.02955	1.9
85.04181	0.6
87.00865	2.0
89.03951	1.6
99.00922	0.9
99.04525	1.8
101.02460	1.9
113.02453	1.3
114.05656	0.8
117.03497	7.1
134.03761	88.8
135.04051	4.1
137.02472	3.2
139.04083	0.9
149.02483	1.7
149.06113	11.2
155.94743	0.8
161.04561	9.1
164.04752	1.6
178.02757	10.8
179.05618	3.0
179.07079	1.5
186.80893	0.6
191.05605	0.9
193.05087	100.0
194.05447	6.0
223.06285	0.9
297.19788	0.7
355.10257	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	355.1038
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.17284	0.8
51.95480	0.8
57.03443	1.2
58.00587	0.9
59.01384	15.1
62.78968	0.9
64.39323	0.8
71.01394	9.1
71.26311	0.9
72.99313	2.7
73.02953	1.2
81.03459	2.6
83.01386	3.3
85.02954	15.6
87.19319	0.9
89.02466	13.0
97.02970	3.9
99.00915	1.0
99.04491	1.0
101.02471	1.8
111.04597	0.9
117.03503	2.1
123.04535	2.5
131.03526	8.8
134.03761	38.9
135.04132	1.2
142.59798	1.2
145.01497	1.2
149.06093	3.0
154.99840	1.9
159.42113	1.0
160.01672	2.8
161.04584	35.9
162.04836	1.2
167.03462	2.3
172.63190	1.0
175.04053	3.8
177.05563	1.2
178.02701	1.6
179.05637	100.0
180.05927	4.0
191.05722	1.2
192.05740	0.9
193.05035	29.2
194.05353	1.3
213.97920	0.8
219.03209	1.1
237.07785	1.7
377.81674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1037
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.56801	1.7
51.20864	1.5
53.46360	1.7
53.99799	1.4
54.95000	1.8
58.00581	1.8
59.01384	16.3
69.16764	15.1
71.01390	18.0
73.02959	2.7
77.80506	1.9
83.01353	2.0
85.02965	7.2
87.00915	2.4
89.02457	5.7
98.21779	3.9
101.02470	5.5
113.02491	3.0
117.03535	1.9
119.03513	1.6
129.01949	2.0
132.02197	16.2
134.03763	59.1
135.04088	2.0
137.02461	3.5
147.04538	2.1
149.02489	3.0
149.06117	10.1
159.03075	3.0
160.01683	69.7
161.02007	3.6
161.04568	42.0
164.04932	2.0
175.04025	100.0
176.04424	6.0
178.02736	23.0
179.05623	4.8
191.05580	2.9
193.05045	85.1
194.05469	4.0
195.06546	1.9
206.05902	2.0
217.05125	5.9
221.08122	2.9
235.06149	4.1
254.05362	1.7
324.58090	1.9
355.10510	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	355.1036
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.65601	0.5
59.01381	2.6
63.11614	0.5
69.16707	1.2
69.17102	3.5
71.01392	2.2
72.99323	0.7
73.02949	2.0
75.00867	3.3
81.03470	1.5
83.44279	0.5
87.00897	1.6
89.02490	0.7
89.03974	2.2
89.73271	0.5
99.00877	0.9
99.04535	1.5
117.03484	9.7
117.04295	0.6
134.03758	92.2
135.04076	3.5
138.41322	0.5
143.03532	1.8
149.06105	6.5
161.04564	3.7
178.02721	1.8
179.05595	6.6
193.05077	100.0
194.05417	6.1
264.01157	0.6
319.20068	0.6
355.10416	2.5
355.17682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1038
Annotation	1-O-Feruloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.35534	0.9
56.93958	1.1
59.01395	7.2
71.01390	10.9
71.05011	3.9
72.99320	7.9
73.02950	8.6
75.00878	34.2
75.82653	0.8
81.03447	5.2
85.02952	1.8
87.00873	2.7
88.31441	0.9
89.02449	1.5
89.03970	3.3
99.00887	2.8
99.04521	8.0
101.01595	0.9
101.02413	1.7
106.06638	31.5
106.07358	1.6
108.08221	1.9
117.03472	10.3
120.99648	3.0
121.02965	1.2
123.02769	1.8
133.50729	1.0
134.03757	100.0
135.04103	3.4
143.03513	9.9
149.06094	6.3
150.05627	15.8
151.04112	1.2
160.01605	0.9
161.04573	14.9
164.07143	2.9
172.97183	1.0
175.04012	1.1
179.05627	67.6
180.05997	3.0
192.06694	2.0
193.05066	78.1
194.04689	5.4
355.10352	6.0
355.17682	3.3
355.68060	1.3
356.09909	2.5
356.25467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1193
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
59.01369	3.2
74.60960	0.9
87.00852	0.9
108.02178	1.4
119.05051	5.2
121.02908	0.8
147.04549	12.6
148.05272	1.2
149.02438	1.2
150.03264	2.2
160.05350	1.0
164.04781	2.0
175.04022	100.0
176.04787	43.4
177.05150	4.2
188.04785	1.2
189.05605	8.1
190.06372	27.0
191.06898	3.0
202.02477	1.0
203.03584	1.0
204.02353	1.4
204.04289	22.9
205.04645	1.0
208.01913	1.6
208.03792	23.8
209.04111	2.0
216.04239	1.4
217.05064	13.8
218.05836	11.9
219.06645	45.1
220.06926	2.4
222.05353	33.6
223.05641	3.2
228.67168	1.0
231.06555	1.7
235.07561	2.0
239.07054	1.2
251.07106	2.0
267.06647	2.3
268.07315	0.9
278.05725	1.0
279.06689	5.6
280.07214	1.0
291.06641	1.6
293.08353	1.0
294.08887	1.3
295.06152	7.9
296.06931	10.6
297.07281	2.0
306.09033	1.2
307.06149	8.8
308.06424	1.1
310.08578	3.0
311.09259	19.1
312.09921	3.2
322.08475	6.4
323.08789	1.6
325.10812	4.3
327.12463	4.0
337.10852	4.7
340.09619	1.9
355.11880	92.5
356.12262	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	355.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99288	2.0
66.60722	1.9
71.30598	4.7
78.99852	2.4
85.60602	2.1
99.92596	45.8
100.92665	2.9
102.52917	2.2
107.71298	2.0
115.92099	27.2
116.92883	100.0
117.92873	5.5
155.31729	2.2
171.29175	2.3
230.89146	2.1
310.36676	3.1
343.15735	5.4
355.15866	84.8
355.20203	5.5
356.15930	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	355.1768
Annotation	1alpha,5alpha-Dimercaptoandrostane-3alpha,17beta-diol
Peak:m/z	Relative Intensity
51.36426	0.8
57.02670	0.8
57.90134	0.8
59.01386	100.0
60.01711	0.8
69.03455	1.0
71.05006	1.5
111.04534	1.6
125.06124	6.9
137.06116	2.5
148.52908	0.8
191.14462	1.0
192.00668	1.2
193.12361	1.0
207.13988	1.3
222.96761	0.7
233.15503	7.6
235.13361	1.2
249.14966	7.9
251.16585	9.4
252.17000	1.2
259.13358	0.9
277.14545	2.8
293.17624	33.7
294.17932	3.8
295.15558	9.8
296.15939	0.9
311.18741	7.5
337.16534	9.9
355.17654	66.0
356.17960	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	355.2283
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.88307	1.5
59.38014	1.3
65.19920	1.4
65.58912	1.3
69.04109	2.5
69.04512	10.0
85.02944	2.9
111.00912	2.0
122.03748	10.3
127.07637	1.3
135.04530	21.4
135.51715	1.4
140.76537	1.4
147.08173	2.3
149.06110	1.3
149.09717	8.7
151.07661	2.9
154.02672	1.9
161.09737	7.2
163.07675	3.4
163.11307	47.2
164.08437	14.9
164.11572	3.2
165.09190	7.2
177.09227	59.6
178.09976	15.4
179.10794	66.7
180.11140	3.9
183.10332	2.0
187.11357	2.0
191.10785	11.9
193.08696	9.4
194.08186	1.5
257.24649	1.5
298.15753	51.0
299.16150	5.0
307.17297	1.8
337.21780	36.9
338.22086	6.6
340.20447	71.4
341.20807	10.0
355.22806	100.0
356.18933	2.4
356.23138	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	356.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27507	4.0
59.01376	22.9
61.98837	100.0
71.01383	26.5
71.26120	7.1
72.99297	5.7
74.02486	15.4
85.02951	8.7
87.00900	10.1
87.05669	6.1
88.04053	10.0
89.02460	12.2
93.03454	24.4
94.03829	12.3
101.02467	12.1
101.57279	4.3
104.55340	4.6
109.02958	5.8
111.04531	5.5
113.02499	8.9
114.05614	36.7
116.07177	7.1
121.02972	15.0
129.10388	15.0
130.08762	14.0
134.03773	15.7
135.04118	7.9
136.04906	6.9
140.07210	5.9
140.18306	4.2
153.01945	4.0
162.03255	5.6
173.04575	10.0
174.01776	7.5
174.04889	9.0
175.05150	5.4
176.05334	6.1
179.03606	7.2
180.04181	7.2
180.10374	19.1
191.05659	15.1
192.06015	10.2
193.06149	13.0
194.05234	8.8
195.06619	22.2
222.12427	6.9
227.49057	4.8
235.73827	5.2
240.13687	5.7
241.11981	8.6
293.12466	14.4
338.89960	4.5
356.10721	45.0
356.18341	16.8
357.11597	8.3
357.21475	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27647	0.8
57.14048	0.8
59.01393	4.5
70.83725	1.8
71.01373	3.5
73.02946	1.3
84.04543	1.5
85.02943	1.0
85.09191	0.9
87.00890	1.2
88.04034	1.9
89.02492	1.8
93.03487	2.6
101.02452	1.5
102.05611	2.9
108.02186	2.3
109.02978	1.7
112.98771	1.1
113.02374	0.8
115.08750	1.6
116.07166	2.4
120.33408	0.8
121.02959	5.6
122.03728	2.3
123.04539	36.5
124.04868	1.3
128.03563	6.7
130.08755	15.3
133.02974	2.2
133.05107	1.4
136.01668	2.9
137.02452	1.1
140.07213	1.4
144.11403	1.4
146.04581	1.5
149.02425	0.9
151.04025	26.0
152.01125	2.1
152.04338	1.2
153.01924	0.8
165.01952	17.5
167.03398	0.9
176.01201	0.9
177.01959	14.4
178.99889	3.4
179.03560	1.2
185.16586	3.5
194.02274	4.0
195.03004	100.0
195.06671	3.7
196.03383	6.0
226.15663	1.3
229.15555	3.6
313.26108	2.4
314.20987	1.1
357.08249	26.4
357.12680	1.5
357.21265	1.2
357.25162	13.9
358.08398	1.8
358.19861	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	357.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01389	12.4
68.99814	2.9
69.25798	4.6
69.26208	1.5
71.01384	6.6
72.97529	1.2
73.02934	1.5
74.02457	1.6
81.03468	4.2
83.01384	7.5
85.02972	2.8
87.00885	1.5
88.04056	1.2
89.02464	2.9
93.03486	2.8
95.01417	1.3
95.05022	1.5
96.00951	1.3
97.02972	1.9
101.02474	2.1
107.01364	1.3
108.02184	17.3
108.02921	0.9
109.02972	7.3
111.00892	1.3
113.02491	1.9
119.03490	1.0
119.05021	0.9
121.02971	1.7
123.04539	19.2
124.04874	1.0
125.02459	100.0
126.02814	3.5
126.17272	0.9
130.08789	2.5
131.04692	0.9
133.02933	1.1
135.04549	14.3
137.02457	4.2
139.04047	1.3
147.04498	1.0
149.02449	9.5
149.06078	1.4
150.06842	6.2
151.00391	2.4
151.04016	2.9
152.01167	13.3
153.01924	8.6
161.04596	1.5
163.04108	1.3
167.03519	56.4
168.03893	3.0
175.00441	1.0
177.01942	2.2
177.05438	1.1
179.03499	2.7
180.04257	1.3
181.05057	2.0
191.03506	11.4
193.05125	1.7
195.03006	26.2
195.06627	7.9
196.03358	1.7
209.04581	6.2
219.03062	3.4
221.04570	1.5
237.04031	2.0
242.18819	2.1
274.37906	1.1
287.07755	3.6
329.08932	2.7
357.08203	21.0
357.12076	3.1
357.17639	1.1
357.21619	2.5
358.08563	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	357.1195
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
51.57230	1.1
59.01388	30.0
69.01461	6.1
69.01878	3.8
71.01398	13.6
71.70436	0.9
72.01723	0.9
72.98974	1.3
72.99322	15.5
73.02963	1.2
83.01402	1.3
85.02960	3.9
87.00883	1.2
88.04047	1.6
89.02451	8.2
95.05026	1.1
95.27765	1.0
97.03013	1.0
101.02431	5.7
101.07301	1.0
103.70081	0.9
105.07099	1.5
107.05067	1.2
108.02195	3.9
109.02982	2.6
113.02451	3.9
115.04825	1.0
115.05554	5.4
116.07167	3.5
119.03513	3.9
119.05040	2.3
121.02961	4.8
123.04540	2.8
124.01670	2.2
125.02476	1.2
130.08743	10.6
133.02986	2.3
133.06628	3.6
134.03767	4.7
135.04579	8.7
136.05309	8.8
144.53723	1.1
149.06042	4.8
150.03180	1.1
151.03998	2.7
151.07655	3.7
152.01134	1.3
153.01932	1.5
159.04498	5.7
161.04636	1.2
162.03246	2.2
165.04123	1.3
166.08745	3.0
174.68153	1.2
177.05525	5.2
178.02715	1.1
179.03513	1.6
179.05621	1.3
180.04236	1.9
185.16603	3.2
193.05083	3.1
194.05440	1.5
195.06664	100.0
196.06915	4.7
242.18813	1.6
265.16049	1.1
327.12659	1.3
339.10904	3.2
340.18906	3.4
357.08136	1.9
357.11935	7.2
357.21552	5.5
358.19788	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	357.1197
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01868	2.2
57.03452	2.1
58.00616	2.6
59.01385	64.7
66.53055	1.6
71.01393	42.3
72.99312	6.3
73.02945	3.9
77.03982	9.4
80.71732	2.0
81.82615	1.9
83.01392	6.9
85.02947	12.7
86.00073	2.4
86.97953	1.7
87.00877	5.4
89.02454	29.8
93.03490	3.0
95.01397	3.4
95.05038	5.4
97.02969	6.5
98.21758	5.2
99.00876	2.1
101.02455	24.1
105.07114	3.0
105.78228	1.7
107.05058	2.2
108.02156	2.7
113.02466	15.8
115.05552	3.2
116.07188	17.1
119.03529	14.3
121.02972	67.8
122.03298	2.2
123.04530	2.9
124.01679	4.1
130.08762	9.0
133.06606	8.3
134.03711	3.1
135.04515	3.6
136.05292	5.5
139.04095	4.4
140.07167	1.9
145.05084	5.7
149.06076	1.8
151.04001	2.9
151.07693	3.5
159.04543	2.8
161.02484	2.6
161.04527	5.3
162.03246	62.6
163.03772	3.7
176.04784	5.6
177.05594	100.0
178.05956	3.3
180.04176	2.4
185.16595	11.8
194.05632	1.8
195.05048	3.5
195.06656	41.0
196.06976	3.0
209.04520	2.3
217.97554	1.9
228.66902	1.9
235.08217	3.6
242.18919	2.2
339.10663	2.2
357.12164	10.2
357.21365	19.4
358.20120	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	357.1197
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
56.88452	0.6
57.66926	0.6
59.01348	2.3
67.01883	1.0
69.35126	4.5
70.19463	0.6
71.01390	3.7
73.02934	0.9
75.00862	0.7
78.66157	0.7
82.11317	0.6
83.01369	1.1
83.74427	0.6
85.02940	1.6
87.00442	0.6
87.00880	6.9
89.02439	1.6
89.28297	0.8
93.03448	1.9
95.01344	0.6
98.22594	1.0
99.00851	1.1
101.02420	2.2
102.05515	0.9
107.05006	0.8
107.47997	0.6
108.02158	1.8
109.02955	1.4
111.53827	0.6
112.98828	0.9
113.02442	1.3
121.02924	1.1
123.00900	1.0
123.04528	1.7
125.02419	0.8
127.05168	1.2
128.03616	0.7
133.05136	1.2
136.01666	8.6
137.02470	4.6
145.01439	1.6
145.06131	0.8
149.02412	1.6
150.03233	1.0
151.04021	7.1
152.04422	0.7
161.04604	0.8
164.01180	13.1
165.01942	43.3
165.05699	1.5
166.02274	2.3
173.04558	0.9
174.54219	0.7
177.04352	1.5
178.02708	0.9
178.05154	1.5
179.03513	100.0
180.04289	42.9
181.04622	2.7
190.48026	0.7
193.05046	1.4
194.05867	31.9
195.02985	5.4
195.06642	92.9
196.06990	4.1
201.19046	0.6
211.14534	0.6
237.07703	1.2
258.14926	0.7
302.47498	0.8
357.08261	1.1
357.12006	0.9
357.21774	1.9
358.11407	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01373	1.0
61.22797	0.2
61.97166	0.1
64.73873	0.2
65.00335	0.4
69.03461	0.4
69.10678	1.5
71.01392	0.3
81.03408	0.2
83.01405	0.7
84.02184	0.4
85.02949	0.4
86.63496	0.2
93.03461	1.5
95.01394	0.2
101.02398	0.2
107.01395	0.8
108.02187	2.3
108.08222	0.7
109.02959	0.7
121.02969	9.0
122.03776	3.7
123.00896	0.5
123.04581	0.3
124.01668	0.5
125.02473	0.8
126.02874	0.2
133.02968	3.0
134.03807	1.0
135.04573	0.3
136.01678	82.3
137.02127	3.0
145.06601	0.2
147.04492	0.4
149.02463	0.5
149.06096	0.6
151.04024	100.0
152.04367	4.7
152.07213	0.6
154.02739	0.6
159.04543	0.7
160.05283	1.1
161.02435	1.3
161.06062	0.3
162.03276	1.7
163.04056	1.2
163.36734	0.2
164.04800	0.2
164.27425	0.2
175.04001	1.3
175.07658	1.4
176.04779	0.6
177.05576	1.1
179.03543	0.5
187.00432	0.9
187.04068	0.4
188.04713	0.3
189.05562	0.9
190.06371	0.4
193.05061	0.2
196.06163	0.3
199.03999	0.3
201.01929	0.2
203.07155	0.4
217.05118	0.2
241.05054	0.5
256.07385	0.3
267.06967	0.2
285.04068	9.4
286.04462	1.0
290.56146	0.2
295.02362	0.2
311.12857	0.9
313.03503	2.2
314.04187	0.2
327.12299	0.2
342.11087	4.8
343.11588	0.3
357.13467	14.5
358.13831	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47432	0.1
59.01392	1.1
65.00338	0.5
69.03450	0.2
71.01381	0.4
71.28711	0.2
83.01408	0.6
83.05538	0.1
84.02193	0.3
85.02959	0.5
93.03467	1.5
95.01421	0.4
97.02957	0.2
101.02412	0.2
107.01403	0.8
108.02207	1.9
108.08213	0.8
109.02980	0.7
113.02445	0.2
116.54304	0.1
121.02979	9.8
122.03796	2.7
123.00896	0.4
123.04556	0.2
124.01675	0.7
125.02484	1.0
130.08760	0.5
131.01364	0.3
133.02972	3.0
134.03767	1.3
135.04538	0.5
136.01680	82.2
137.02292	2.8
138.03172	0.2
143.05173	0.1
147.04523	0.3
149.02461	0.4
149.06174	0.5
151.00621	1.6
151.04027	100.0
152.04367	4.7
152.07159	0.7
154.02740	0.6
159.04510	0.8
160.05313	1.3
161.02455	1.5
161.06146	0.3
162.03268	1.3
163.04037	1.5
166.08746	0.2
171.04616	0.2
175.04030	1.4
175.07654	1.5
176.04770	0.5
177.05637	1.1
179.03537	0.6
187.00398	0.9
187.04042	0.5
188.04776	0.5
189.05627	0.7
190.06326	0.2
193.05121	0.2
194.08224	0.2
196.06189	0.5
199.04015	0.5
201.01884	0.2
203.07228	0.4
217.05144	0.2
241.05167	0.5
243.02982	0.2
256.07370	0.2
267.06744	0.2
285.04077	11.3
286.04379	1.0
296.10648	0.3
311.12808	0.9
313.03592	2.7
314.03760	0.3
342.11115	4.8
343.11456	0.6
357.02728	0.4
357.13477	15.7
358.13904	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13186	1.8
56.77809	1.6
59.01379	3.9
69.53105	9.5
108.02181	23.0
112.79343	2.3
121.02946	2.6
123.03642	2.4
123.04539	33.6
136.01620	2.1
137.02434	3.2
145.02914	1.8
146.03680	2.4
147.04543	3.4
148.05319	6.7
149.02394	4.3
149.06055	6.0
150.03242	6.9
151.00485	2.0
151.04016	2.9
158.03683	4.1
159.04503	12.1
160.05316	23.6
161.02513	1.6
161.06081	3.3
162.03235	6.2
163.04028	5.4
165.05640	2.6
174.03239	7.5
175.03996	2.0
175.07646	6.7
175.73445	1.8
176.04770	6.6
177.05585	71.7
178.06352	24.6
187.03995	12.3
188.04790	15.1
188.23508	1.7
189.05295	2.7
191.07152	28.9
192.04234	3.6
192.07883	10.7
203.07146	100.0
204.07472	6.5
206.05847	20.1
210.05328	8.2
219.06586	2.4
220.07365	6.3
221.06055	3.5
221.08202	67.1
222.08510	5.9
224.06905	18.9
233.08113	2.1
238.15900	1.6
262.06714	1.8
263.07220	2.3
268.07086	2.2
276.03436	2.0
277.14380	3.1
281.08160	3.4
283.09790	1.9
291.06549	2.1
296.10562	2.1
297.07550	2.9
306.08960	2.7
309.07761	4.1
311.12817	3.8
313.10852	5.5
324.10095	5.7
327.12396	8.8
339.12283	26.5
340.12546	4.5
357.13290	27.7
358.13745	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	357.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
71.28115	4.8
79.17114	3.1
90.50082	3.2
91.41039	3.1
108.02182	7.9
108.80276	3.4
115.58498	3.0
123.04543	8.7
126.77473	3.6
135.04613	3.1
148.05328	6.1
149.06064	14.4
150.03183	8.5
158.03871	5.4
159.04538	18.4
160.05310	18.6
161.06078	7.3
162.03249	9.0
175.07635	6.2
176.04884	3.5
177.05605	56.3
178.06403	21.3
180.04205	4.0
184.89191	3.0
187.04106	6.0
188.04776	12.1
191.07195	17.5
191.08727	3.3
192.07852	7.1
203.07188	36.6
206.05846	19.4
221.08221	100.0
222.08594	5.3
224.06955	9.7
252.71133	3.7
281.08167	3.8
327.12564	6.9
339.12357	7.8
357.13629	32.6
358.14423	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	357.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98809	1.7
59.01382	6.6
65.03965	3.8
65.67064	2.1
71.01394	13.0
73.01175	3.4
73.02942	14.7
77.37863	2.1
83.05030	2.0
83.99706	1.6
85.01181	2.0
87.00891	26.6
93.03441	2.1
97.06699	1.8
103.02245	56.6
106.04269	3.0
108.02183	4.9
109.02950	3.9
113.06110	4.3
119.05054	3.6
120.99677	20.1
121.06638	6.3
123.04526	5.6
123.08183	2.2
125.04365	2.4
132.05798	5.1
134.03706	3.1
135.04538	2.2
137.02461	2.1
147.04889	18.9
147.08179	26.2
151.04039	2.6
155.78261	1.8
161.02419	1.9
162.03201	2.6
163.04024	9.4
165.09245	22.7
175.04039	5.0
176.04771	2.5
190.06361	2.8
191.07240	1.9
213.05772	2.6
227.07091	3.9
235.13379	6.3
237.05676	3.3
239.07088	2.9
240.07980	2.8
253.05052	2.4
253.08862	2.2
255.06665	4.8
256.07465	3.5
259.06247	2.8
267.06622	3.5
268.07349	10.7
269.12259	17.5
283.09827	7.5
284.07010	3.8
291.06934	2.2
294.05261	4.6
295.06223	2.5
297.07559	3.2
299.09290	4.7
309.07620	2.7
312.06400	20.2
327.08759	39.6
328.08905	4.9
339.12558	5.4
342.11105	37.3
343.11487	6.2
357.13641	100.0
357.78189	2.0
358.14023	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	357.1371
Annotation	6-Gingesulfonic acid
Peak:m/z	Relative Intensity
55.98809	1.7
59.01382	6.6
65.03965	3.8
65.67064	2.1
71.01394	13.0
73.01175	3.4
73.02942	14.7
77.37863	2.1
83.05030	2.0
83.99706	1.6
85.01181	2.0
87.00891	26.6
93.03441	2.1
97.06699	1.8
103.02245	56.6
106.04269	3.0
108.02183	4.9
109.02950	3.9
113.06110	4.3
119.05054	3.6
120.99677	20.1
121.06638	6.3
123.04526	5.6
123.08183	2.2
125.04365	2.4
132.05798	5.1
134.03706	3.1
135.04538	2.2
137.02461	2.1
147.04889	18.9
147.08179	26.2
151.04039	2.6
155.78261	1.8
161.02419	1.9
162.03201	2.6
163.04024	9.4
165.09245	22.7
175.04039	5.0
176.04771	2.5
190.06361	2.8
191.07240	1.9
213.05772	2.6
227.07091	3.9
235.13379	6.3
237.05676	3.3
239.07088	2.9
240.07980	2.8
253.05052	2.4
253.08862	2.2
255.06665	4.8
256.07465	3.5
259.06247	2.8
267.06622	3.5
268.07349	10.7
269.12259	17.5
283.09827	7.5
284.07010	3.8
291.06934	2.2
294.05261	4.6
295.06223	2.5
297.07559	3.2
299.09290	4.7
309.07620	2.7
312.06400	20.2
327.08759	39.6
328.08905	4.9
339.12558	5.4
342.11105	37.3
343.11487	6.2
357.13641	100.0
357.78189	2.0
358.14023	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	357.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01728	1.4
69.06561	4.5
69.06995	5.1
71.01402	7.2
72.25772	1.0
73.02945	2.0
74.87505	1.1
83.01425	1.8
85.02975	2.3
98.22552	2.4
101.02460	4.5
111.33826	1.3
113.02464	2.7
119.39054	1.1
151.04025	1.2
151.91977	1.3
161.04593	3.2
205.04951	1.1
276.03558	2.8
313.03653	1.2
349.00684	1.1
357.22897	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	357.2287
Annotation	SB 939
Peak:m/z	Relative Intensity
55.34526	0.5
59.01375	1.9
59.55453	0.5
61.98802	0.6
62.06856	0.5
67.01893	2.1
67.94080	0.7
69.03457	1.3
69.14430	4.2
71.01375	1.2
71.15395	0.5
72.99314	0.7
79.05546	3.9
83.05035	1.1
84.02174	2.3
93.93051	0.6
95.05025	1.6
95.62841	0.6
97.06600	2.4
99.04547	0.8
107.08696	0.7
115.00378	0.5
124.05354	0.9
125.09767	0.8
126.32108	0.6
137.09747	1.1
153.12851	5.2
163.11328	0.9
171.10304	1.7
173.71692	0.5
181.12354	6.7
193.12389	1.1
195.14023	1.0
199.13422	2.4
209.11882	1.2
225.15018	1.8
227.12856	5.0
241.15286	0.8
269.17563	1.2
307.19275	0.7
325.11908	0.7
327.21848	1.0
357.22858	100.0
358.23218	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	358.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72119	1.9
53.40454	2.3
59.01387	29.4
70.88438	4.9
71.01402	7.4
72.99323	5.8
76.49506	2.3
84.04545	2.4
85.03003	2.8
89.02454	8.0
95.01389	4.1
102.05608	17.2
113.02483	3.3
115.08807	2.8
119.03535	3.1
123.00901	40.6
127.05183	2.8
128.03560	39.1
130.08810	4.1
134.03741	2.2
135.04543	5.8
138.03235	47.3
140.01192	2.8
146.04610	8.3
151.04097	2.9
153.05615	22.1
155.03523	3.7
157.13443	4.0
164.04820	4.8
166.99892	14.9
174.99249	4.1
178.05095	2.8
179.03529	4.8
179.07133	3.5
182.02234	37.5
197.04572	100.0
201.02592	3.1
211.14572	8.8
217.00334	15.4
228.17189	3.9
229.15604	13.8
230.77922	2.2
235.71254	2.4
272.88083	2.3
314.20786	4.3
326.56812	2.3
358.11304	3.0
358.19699	30.7
359.09952	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	358.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	40.1
67.01887	3.8
68.99837	2.9
69.00249	12.1
71.01393	19.8
72.00922	5.6
72.99303	2.8
73.02967	2.1
74.02483	100.0
81.17690	1.5
82.03002	2.3
82.06650	3.9
83.01399	4.2
85.02964	6.1
87.00889	3.0
88.04060	3.1
89.02465	14.5
95.01408	2.6
96.04617	1.8
97.02934	1.6
98.02489	85.5
99.00920	5.1
99.02800	1.8
100.00403	3.9
101.02446	8.2
106.06643	2.6
106.19321	1.5
111.03308	2.6
112.02836	2.9
112.04105	3.0
112.07684	1.8
113.02493	8.0
115.00420	2.1
116.03567	4.1
118.05120	12.1
119.03537	7.3
119.05139	1.4
122.06149	3.8
125.03571	6.8
129.10374	2.8
130.08694	2.1
132.03058	1.9
134.06139	15.9
135.08121	1.8
138.09288	2.0
139.08791	6.2
139.50565	1.4
140.07207	6.4
141.10374	4.8
143.04646	4.0
150.09238	4.0
152.07196	4.8
153.10345	2.1
154.08780	2.0
164.10776	1.7
166.08684	2.3
168.10304	11.9
169.09879	6.4
178.05145	4.1
181.09923	1.8
185.09444	1.7
189.10400	1.9
191.05670	1.8
194.08240	16.5
196.06104	3.3
207.11418	17.0
212.09314	3.6
225.12418	10.6
228.41766	1.5
241.07164	1.4
242.18793	3.4
257.11453	5.3
258.11810	1.6
269.11456	71.1
270.11771	6.3
270.14459	1.6
313.14114	19.5
314.13663	23.3
315.13580	2.4
358.11472	12.6
358.16220	35.4
358.20230	2.4
359.12534	1.7
359.16516	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	358.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	22.8
58.24879	22.7
59.01377	100.0
64.96587	25.9
69.77036	22.4
71.01383	28.7
171.10272	26.5
216.43787	27.4
269.76389	26.0
285.04266	46.2
286.04468	35.2
358.23166	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10982	1.1
57.87082	1.2
59.01384	4.1
69.16885	2.7
69.17300	6.3
70.02995	2.7
71.01390	1.4
81.02203	4.7
82.02990	2.0
82.06625	1.3
84.96967	1.2
87.05678	2.1
93.03448	1.4
96.00917	7.9
98.02493	16.3
109.01712	4.9
113.03579	7.2
114.02010	2.8
121.02951	2.0
123.09261	1.5
125.19808	1.3
130.08760	82.9
131.04585	1.4
131.09102	1.6
132.04561	1.3
138.09277	20.1
139.08789	3.8
140.07217	7.3
145.02980	1.2
145.99426	1.0
147.04558	1.2
152.07227	2.6
156.06674	1.4
160.05295	2.7
161.03552	2.1
163.04053	1.9
164.09483	1.5
166.08749	37.6
167.09074	2.8
168.10289	2.6
174.03352	1.4
175.04037	4.4
175.07655	2.7
177.05591	1.8
180.04330	3.2
183.11357	1.7
189.05591	1.3
190.06386	4.2
191.07219	2.3
199.18042	6.0
204.09042	3.1
205.08699	2.6
209.09363	1.9
225.16147	7.2
227.10381	2.5
233.16638	3.3
235.18185	9.5
236.11763	1.7
236.16597	1.5
243.17174	8.9
244.17509	1.3
249.42024	1.2
261.16107	9.9
279.17160	7.6
297.12543	1.5
310.69247	1.2
323.16162	100.0
324.16443	10.0
329.13846	7.7
340.18808	32.8
341.17255	2.1
358.19644	15.1
359.11221	1.4
359.15063	6.9
359.20273	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	358.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55432	1.0
58.55841	1.0
59.01386	2.5
65.14875	0.9
66.03500	0.9
70.02978	1.6
70.30173	2.5
74.39085	0.8
81.02221	4.1
82.03004	1.5
82.06644	3.6
84.08189	2.0
87.05658	2.4
89.02507	0.9
91.57164	0.9
96.00924	11.9
98.02489	26.6
109.01735	2.4
113.03592	7.6
114.01976	1.9
114.17911	0.8
121.04105	1.7
122.09800	1.3
130.08757	56.2
131.09117	2.0
135.03003	1.5
138.09274	17.4
139.08783	5.6
140.07228	5.5
152.07143	1.1
156.06662	1.4
163.08693	0.9
164.09578	1.6
165.10361	1.3
166.08740	26.8
167.09155	1.2
168.10283	1.8
182.15565	1.3
195.15407	0.9
197.11835	1.6
199.18208	3.7
204.09067	1.0
209.09496	2.0
225.16116	8.7
233.16725	3.9
235.18140	6.7
236.11742	1.8
236.16461	1.2
241.10915	0.9
243.17157	6.9
261.16141	6.7
279.17163	6.7
323.16147	100.0
324.16446	9.5
340.18796	33.0
341.18915	3.0
348.05624	0.9
358.19632	7.2
359.14032	1.1
359.20609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59372	1.1
57.03463	1.3
58.02958	1.8
59.01397	7.1
66.03484	1.7
68.05052	1.6
71.01376	5.7
72.00907	2.1
73.04061	2.2
74.02065	1.9
74.02483	29.9
81.02178	1.4
82.02975	4.9
82.06632	7.4
84.04568	2.2
84.08214	1.8
85.02944	2.8
87.00849	1.7
89.02446	3.1
93.03458	2.5
98.02493	27.7
99.00893	1.7
100.04050	6.0
100.07704	2.7
101.02483	1.6
101.07222	8.9
109.04067	1.8
111.05666	2.5
112.04060	3.4
114.05608	1.8
116.07194	100.0
117.07541	2.4
118.05173	3.2
119.05039	2.4
123.03296	4.5
126.09259	2.8
127.05154	10.2
128.03528	4.6
129.10367	1.9
130.08769	12.8
136.11307	4.5
139.08755	2.2
140.07219	15.0
141.10345	1.6
141.92111	1.3
145.02934	3.8
145.06209	8.0
146.04607	2.6
150.09212	2.2
152.10867	1.9
155.08272	1.4
157.13464	2.1
166.08727	4.8
167.11867	2.7
168.10271	2.8
168.13945	2.5
169.09970	1.7
169.13487	2.3
179.11882	3.2
180.10323	47.7
183.11447	7.4
185.16626	23.7
191.05661	18.4
194.08269	5.0
196.05957	1.6
197.13068	7.8
207.11374	4.6
210.07910	1.5
223.10883	16.4
224.09308	8.1
225.12440	3.2
227.10376	2.6
229.15526	10.1
241.11942	10.1
269.11490	23.8
270.11621	1.9
273.75308	1.2
296.19879	7.9
313.14105	5.2
314.13672	7.5
315.13843	1.8
340.18805	44.2
341.19156	5.9
358.16211	7.1
358.19897	90.3
359.07483	5.1
359.12790	1.2
359.20334	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	358.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43559	12.0
66.85901	11.1
69.03997	100.0
83.47953	10.4
83.60258	12.8
84.54144	9.7
85.80247	10.8
86.05014	11.9
89.23968	10.5
102.24344	11.7
164.06642	13.8
169.06659	11.8
276.38873	11.3
322.86270	12.2
333.18829	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	359.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	77.6
60.91568	0.6
70.69868	0.8
70.70198	0.6
79.98981	0.5
86.67724	0.5
90.97173	1.0
93.00642	0.6
93.98161	0.5
96.20996	0.7
117.00601	0.4
132.98195	1.6
142.97404	0.6
157.03603	2.1
174.99272	19.7
201.00670	0.8
201.02574	24.4
202.02745	2.2
217.00327	100.0
218.00671	3.1
359.01416	3.5
360.02185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20568	0.5
59.01385	97.0
60.01734	1.2
61.69470	0.4
61.69874	0.4
64.20102	0.5
69.29102	2.6
69.29509	0.9
87.00924	0.6
90.97160	0.9
98.22550	1.0
101.00960	0.5
105.34834	0.5
111.94286	0.5
118.48205	0.5
119.70171	0.4
132.98224	2.6
135.04506	3.2
141.78490	0.5
157.03563	2.9
159.01585	1.0
174.99265	24.5
175.99698	0.9
201.00696	1.4
201.02568	26.1
202.02716	2.7
217.00322	100.0
218.00679	3.7
223.20721	0.5
257.72922	0.6
299.09250	0.9
359.01498	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.73920	0.5
55.01874	0.6
58.02984	0.5
59.01369	1.0
62.58582	0.5
64.18958	0.5
69.36771	1.0
69.37170	2.5
71.01385	1.1
85.02900	0.6
90.61115	0.6
95.01399	3.2
96.27755	0.5
98.22495	1.2
99.16541	0.5
123.00900	46.8
124.01219	1.6
137.02455	1.3
138.03242	52.0
139.03566	2.9
151.04039	1.3
153.05594	19.3
154.05936	0.7
159.20157	0.6
166.99893	12.1
182.02238	41.6
183.02591	1.7
187.74791	0.5
197.04572	100.0
198.04942	6.0
217.00327	0.7
239.05598	0.7
359.09784	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	359.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
69.02818	3.9
71.01371	0.3
73.02929	0.5
91.05573	0.5
106.04285	0.4
107.05038	2.3
108.02231	0.6
109.02972	1.3
112.45667	0.4
119.05045	0.8
120.02194	0.5
121.02973	2.3
134.03749	4.3
135.03004	0.7
135.04552	6.6
145.02957	1.4
146.03767	1.5
147.04594	0.5
149.06082	0.9
150.03238	1.4
159.04478	0.7
161.02461	2.5
161.06070	1.0
162.03249	46.4
163.04028	100.0
163.52615	0.5
164.04370	5.0
165.05571	0.9
167.65411	0.4
172.59630	0.4
175.04025	1.3
179.07141	4.7
180.04320	0.5
189.05634	1.5
190.06276	0.7
191.07182	1.0
193.05171	0.8
195.06630	0.7
197.11839	0.5
217.05092	2.4
223.09749	0.9
225.14960	0.5
227.12968	2.2
241.05157	0.7
255.06699	0.5
269.14056	0.5
287.15067	3.3
299.09280	0.5
311.09311	2.4
313.10703	0.5
317.19757	0.7
323.09280	1.6
341.10455	0.8
344.12674	1.2
359.14981	3.6
359.20142	0.6
360.15213	0.5
365.23325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
57.03453	3.0
57.51839	1.7
58.00595	4.6
59.01385	100.0
64.03911	1.8
69.03461	2.6
70.98281	2.3
71.01390	84.8
72.99306	7.3
73.02953	16.1
74.02480	6.7
76.96776	1.9
83.01414	9.7
85.02951	24.7
87.00880	10.8
89.02458	39.1
93.03470	5.0
95.01416	4.5
96.23575	1.6
97.02972	3.5
97.38161	1.7
98.02511	4.2
99.00907	4.8
99.02848	2.8
101.02457	46.9
109.02995	3.6
109.06618	3.6
112.98851	2.2
113.02471	28.9
119.03515	18.3
119.05040	7.4
122.03806	11.9
123.04538	6.2
124.01708	2.4
124.57084	1.8
131.03499	2.8
135.03055	2.2
135.04501	3.7
137.02466	5.0
137.06133	2.6
139.07686	3.4
143.03580	2.8
149.04535	1.8
149.06082	1.8
151.04044	1.9
153.01898	3.7
154.02823	2.1
154.99998	2.3
159.03008	2.9
161.02481	6.8
161.04510	11.2
163.04048	3.4
164.04739	2.8
165.05582	4.4
173.04500	3.5
179.05782	2.3
179.07217	6.0
182.05830	31.3
185.02228	3.9
191.05621	5.1
193.08736	2.6
195.03044	3.8
197.04599	20.6
197.08220	73.6
198.08595	4.4
217.00496	2.0
229.97305	2.1
239.07280	2.4
241.10915	2.0
270.11734	3.9
327.10880	37.8
327.14474	3.2
328.11182	3.8
332.42734	1.8
348.80414	1.9
350.91406	2.2
359.09076	5.6
359.13580	29.2
359.20294	2.6
360.13693	4.1
363.19556	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	359.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34450	2.1
57.03434	2.3
58.25983	1.9
59.01099	4.7
59.01389	85.9
61.73236	2.0
69.03465	2.2
70.90847	4.5
71.01397	34.0
72.99304	4.3
73.02949	6.8
74.02493	4.3
75.00897	2.8
79.74040	2.6
79.95728	2.8
84.75600	2.1
85.02969	8.6
86.51818	2.2
87.00864	7.4
88.04057	3.1
89.02453	19.8
93.03487	3.4
101.02473	14.3
107.05042	28.6
113.02453	10.3
116.07211	4.3
119.03497	7.2
119.05033	30.0
120.05360	3.1
131.03491	2.3
134.03690	2.8
135.04558	2.8
135.08185	5.3
137.06105	100.0
138.06459	5.3
152.07155	3.0
153.24460	2.4
164.98732	2.9
178.06363	7.5
179.07120	5.4
191.05612	10.4
243.19083	3.9
286.73889	2.8
336.65161	2.5
359.13550	17.5
359.20126	12.3
374.30045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.5
59.01386	100.0
61.55371	0.8
65.56490	0.9
67.73254	1.0
68.59983	0.9
70.69080	1.3
70.69426	2.1
71.01383	6.0
71.05013	1.0
72.99292	1.7
73.02978	1.6
75.00880	22.6
75.01278	1.6
85.02982	3.0
89.02449	5.0
95.01396	1.4
99.04543	2.8
100.44403	1.0
100.84973	0.9
109.02979	3.0
113.02488	3.6
117.01978	2.6
117.03491	1.2
119.08712	3.0
121.02960	5.3
122.03867	1.2
130.04289	1.3
134.83728	0.9
135.03015	86.2
135.08260	1.0
136.03363	1.4
136.05293	1.2
137.02513	2.6
137.09740	6.0
139.00412	1.8
144.57245	1.0
145.02971	5.1
147.04536	8.6
151.04083	1.8
153.02037	1.3
153.05681	0.9
154.65315	1.0
161.02525	1.4
161.06099	1.0
162.03325	1.3
163.04033	15.0
163.07709	2.3
165.02016	2.3
173.02507	2.8
174.03244	8.9
175.04021	42.4
176.04793	14.2
177.05624	3.5
178.02650	1.2
179.03645	3.0
179.10864	3.0
180.04294	18.2
181.08736	14.7
188.04807	5.4
189.05606	13.1
190.06375	34.1
190.08034	1.9
191.03583	1.4
191.07140	30.9
192.04471	1.3
192.07637	1.6
193.05067	15.3
194.05875	8.5
197.11848	70.5
198.12225	4.9
203.07271	2.9
205.08719	28.6
206.09238	1.7
207.06660	9.4
208.07405	14.6
208.09207	1.4
223.09825	3.4
241.10832	37.9
242.11293	2.4
287.15030	1.4
289.77533	1.1
329.14066	1.3
344.12616	7.0
359.14816	61.2
360.15173	8.4
381.98331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64048	1.0
55.05497	1.1
57.03448	6.0
59.01386	100.0
64.00497	0.9
71.01398	6.1
73.02944	1.7
75.00883	8.5
83.01381	1.2
83.05032	1.1
84.93833	1.0
85.02966	3.7
87.00876	1.3
89.02442	2.5
99.04511	3.2
101.02453	4.7
113.02424	2.5
119.08657	3.4
135.03014	36.8
135.08228	1.6
137.09782	5.6
149.02455	1.1
151.11266	1.1
154.99870	0.9
161.04448	1.4
163.07703	1.2
171.10298	1.2
179.10808	3.0
181.08723	11.3
182.08922	1.0
194.99301	1.1
197.11847	39.7
198.12143	2.5
223.09760	1.6
227.12843	2.2
241.10829	32.7
241.14517	2.4
242.11250	1.9
287.15018	3.1
317.16071	3.6
359.13507	40.7
359.20883	2.6
360.13806	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	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64048	1.0
55.05497	1.1
57.03448	6.0
59.01386	100.0
64.00497	0.9
71.01398	6.1
73.02944	1.7
75.00883	8.5
83.01381	1.2
83.05032	1.1
84.93833	1.0
85.02966	3.7
87.00876	1.3
89.02442	2.5
99.04511	3.2
101.02453	4.7
113.02424	2.5
119.08657	3.4
135.03014	36.8
135.08228	1.6
137.09782	5.6
149.02455	1.1
151.11266	1.1
154.99870	0.9
161.04448	1.4
163.07703	1.2
171.10298	1.2
179.10808	3.0
181.08723	11.3
182.08922	1.0
194.99301	1.1
197.11847	39.7
198.12143	2.5
223.09760	1.6
227.12843	2.2
241.10829	32.7
241.14517	2.4
242.11250	1.9
287.15018	3.1
317.16071	3.6
359.13507	40.7
359.20883	2.6
360.13806	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	359.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28232	2.1
59.01092	4.4
59.01390	90.7
67.03666	2.3
69.35841	2.2
70.45722	2.7
70.46043	5.7
71.01397	16.0
73.02950	4.2
73.04071	3.2
74.02496	4.5
75.00877	7.3
85.02943	5.8
87.05634	2.4
88.04047	3.3
89.02460	6.6
93.03478	3.2
95.01402	3.6
101.02460	7.1
102.05628	4.5
109.03022	3.1
112.98842	4.0
113.02475	7.2
113.03590	2.4
117.03394	2.4
123.00903	40.4
123.04494	3.7
127.05132	3.0
128.03542	4.0
130.08751	9.7
134.03802	4.4
135.04556	8.5
136.01692	15.4
137.02490	3.0
137.06116	32.0
138.02237	4.2
138.03252	43.9
143.11905	7.9
145.20926	2.1
147.03030	6.1
151.04042	34.9
153.01918	3.5
153.05603	18.3
161.04570	7.6
165.04056	4.4
166.67982	2.3
166.99886	12.9
173.04485	3.0
174.99261	6.8
179.07068	3.2
182.02225	34.1
183.02673	2.7
191.05638	10.7
197.04588	100.0
197.08301	3.4
198.04990	5.5
201.00798	2.5
201.02522	4.1
211.06146	23.1
217.00308	19.1
285.70770	2.9
315.16763	15.1
341.05124	3.4
359.09933	11.7
359.14557	6.1
359.19592	11.0
360.05838	2.5
364.38672	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1505
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
54.48162	2.8
69.04754	28.9
71.01387	3.1
77.30238	2.7
77.88537	2.8
81.60801	2.5
82.48676	2.8
109.02952	3.1
121.02940	14.7
122.03793	5.7
123.00920	5.3
124.01630	2.9
137.02475	7.0
145.02930	5.9
147.04561	11.7
147.49709	3.2
149.02397	3.5
150.03247	10.6
158.03780	7.2
159.04486	18.8
160.05319	53.1
161.06091	18.3
161.71228	3.0
163.04042	17.3
164.04787	12.5
168.04285	2.7
173.06139	5.8
174.03189	8.4
175.04015	23.6
175.07655	45.2
176.04755	6.2
176.07964	3.2
177.05573	13.3
178.06328	9.3
180.04289	13.0
187.56969	2.9
188.04843	6.7
189.05617	10.4
190.06380	24.5
191.07161	22.8
193.05074	12.5
193.08685	3.3
194.05800	6.4
203.07114	3.5
205.08731	19.0
207.06694	5.8
208.07420	10.7
228.43561	2.8
295.58264	3.2
329.13965	100.0
330.14297	9.1
359.11469	4.0
359.15106	34.9
360.15317	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	359.1508
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
50.70067	0.8
56.53709	0.5
59.01390	14.1
59.37689	0.5
61.98857	0.5
68.98083	1.2
68.98484	4.4
72.00924	0.6
79.75880	0.5
84.08238	0.5
90.97162	1.9
95.01437	0.7
123.00953	3.3
128.07199	0.7
130.08765	100.0
131.09114	3.6
135.04553	0.8
138.03242	3.3
141.98300	0.8
145.09737	0.6
153.05618	2.0
166.99927	0.6
174.99263	2.4
182.02243	3.8
197.04585	8.4
201.02525	3.2
213.05513	1.0
217.00337	11.7
218.00737	0.8
230.03510	1.0
255.06956	0.6
274.06100	1.0
315.12396	0.7
315.20471	0.9
359.15091	78.4
360.15439	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	359.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01703	1.3
64.35015	1.2
69.04858	12.5
71.01391	9.1
73.02947	6.0
82.82765	1.3
83.01388	11.3
85.02959	2.8
88.22962	1.2
90.57752	1.1
91.29874	1.3
97.06621	1.2
98.22630	2.1
99.04547	2.7
101.02466	2.4
104.98447	1.2
108.08199	2.7
113.02499	3.0
113.99619	1.6
115.00362	2.2
135.03027	5.4
135.04495	2.3
139.11302	5.9
147.03288	2.9
152.07193	1.8
153.07545	2.2
162.03250	8.5
163.04021	21.3
165.12860	1.4
166.88168	1.3
175.04105	1.7
181.08704	2.0
181.12401	3.6
183.10323	6.2
188.11374	1.4
191.05579	2.3
195.62494	1.3
197.11847	8.0
205.08638	1.6
207.13976	2.3
209.11902	7.0
225.11484	1.9
225.14928	7.2
227.04469	1.8
227.12901	43.5
228.13220	1.4
241.10776	4.4
241.14540	4.1
243.07751	3.5
243.12373	22.4
244.12680	1.4
269.13876	13.1
270.14316	1.5
281.09500	1.6
287.15030	72.4
288.15341	7.1
359.08972	4.9
359.14426	3.9
359.20935	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	359.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
59.01386	100.0
60.01704	1.5
65.72225	0.8
66.41114	1.0
69.13333	7.9
69.13747	1.9
71.01394	6.9
73.02944	3.5
75.00871	2.5
82.26967	0.9
83.01402	2.7
83.05048	1.1
85.02972	2.3
87.00906	1.5
89.02459	3.1
93.03453	1.5
97.06657	1.2
99.04563	1.4
101.02449	2.5
113.02478	3.3
119.03503	2.2
124.94087	0.9
129.96628	0.9
135.03009	7.5
137.09639	1.0
152.03580	1.2
167.10709	0.9
176.03484	1.1
191.05643	2.1
197.11873	6.3
198.99376	1.0
209.11655	1.3
225.15088	1.6
227.12929	4.7
241.10855	4.6
269.14014	2.1
287.15009	7.4
303.11090	1.3
317.19641	5.0
359.13559	1.3
359.20847	7.1
360.21225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44223	0.6
55.01871	1.2
55.64499	0.7
57.03449	2.1
57.50677	0.5
59.01368	2.0
68.93127	0.6
68.96380	7.0
69.03461	2.5
71.01398	0.9
71.04676	0.6
71.05036	7.6
72.78021	0.5
81.03467	52.3
83.05022	0.6
84.02171	3.9
85.02963	1.7
87.04527	6.6
97.02965	0.9
97.06580	0.7
98.21809	1.2
99.04531	100.0
100.04858	2.9
109.06604	1.3
111.04549	3.7
115.93789	0.6
123.04517	1.3
125.09743	2.0
127.07692	1.1
127.11308	2.2
127.94070	0.6
135.83040	0.6
151.07658	3.5
151.11331	0.8
169.08664	2.8
171.10287	43.1
172.10625	1.6
187.09857	0.9
201.11336	13.4
213.11328	8.5
235.13435	2.0
251.12961	1.7
253.14484	6.4
271.15515	15.0
272.15900	0.8
287.16708	1.0
305.17645	1.5
323.18600	3.0
341.19812	5.2
359.20938	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03452	3.6
59.01385	37.4
60.01690	0.9
67.05505	0.6
68.82520	0.5
69.03461	2.6
71.01382	1.5
71.05032	6.4
75.00872	2.2
81.03463	54.9
82.03802	1.7
83.01397	0.7
83.05026	1.8
84.02176	4.0
85.02945	2.7
87.04525	7.7
89.02453	1.0
93.03477	0.7
95.05042	1.2
97.02929	0.7
99.04530	100.0
100.04859	2.1
101.06123	0.6
108.02203	0.9
109.06609	1.6
111.04536	1.9
117.01927	0.5
119.08690	1.8
123.04542	2.5
123.08131	0.5
125.09747	1.5
127.11294	1.7
133.06621	0.7
135.03021	11.4
135.08199	0.8
137.09731	2.8
151.07681	4.0
151.11276	0.6
153.09152	0.6
163.07697	0.7
165.09189	0.6
169.08745	2.2
171.10286	42.4
172.10617	2.2
177.09409	0.6
179.10803	1.5
181.08720	5.6
187.09773	0.6
197.11847	18.7
198.12146	1.0
199.09796	0.5
201.11324	12.5
209.11838	1.5
213.11325	7.9
223.09692	1.0
224.00250	0.5
227.13010	0.6
235.13428	1.5
239.12848	0.6
241.10851	22.6
242.11203	1.6
251.12996	1.1
253.14423	4.0
257.13947	0.8
271.15530	12.0
272.15881	1.5
287.16550	0.7
305.17651	0.8
317.19666	0.8
323.18744	2.1
331.08249	0.5
341.19769	4.1
342.19989	0.6
359.13574	10.5
359.20636	2.8
360.13824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.6
59.90020	1.4
69.11370	14.3
70.58499	1.4
84.97884	1.8
98.22564	3.6
99.92632	1.5
102.04385	1.6
243.84111	1.7
249.17844	1.6
264.85294	1.6
277.21750	100.0
278.22089	10.7
359.22110	15.6
360.22461	2.7
378.46002	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	360.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27382	0.5
53.14919	0.5
53.58490	0.4
59.01387	13.6
70.70493	0.5
71.01399	2.7
71.05064	0.5
71.28397	1.0
72.99338	0.7
73.02946	1.0
74.99070	0.7
75.00886	0.9
83.01415	0.7
83.05003	0.5
85.02960	1.3
87.00837	0.6
89.02473	0.7
93.03484	0.5
97.02953	0.6
101.02449	1.9
113.02460	0.8
123.03278	6.6
130.05051	0.5
135.03012	1.0
136.99213	0.6
138.05627	100.0
139.05980	4.4
139.11316	0.8
152.07248	0.8
161.04619	1.3
166.46194	0.5
175.40999	0.5
198.12216	0.8
206.13235	0.6
243.12492	2.8
243.14511	0.6
260.34253	0.5
282.09778	2.0
300.10883	1.2
350.27823	0.5
360.21011	0.8
361.09583	1.2
361.15024	2.3
361.22360	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	361.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46294	1.4
59.01380	5.4
63.93145	1.2
67.01857	1.3
69.28619	2.6
69.29028	6.3
71.01389	2.2
72.00924	2.0
74.02475	3.6
85.02962	1.2
87.00824	1.8
98.21822	1.4
107.27631	1.3
111.00901	2.0
113.02464	2.2
116.05074	13.7
122.85740	1.3
130.06641	59.6
131.07002	2.9
138.03261	1.6
141.98241	6.7
142.06615	4.4
155.22913	1.1
159.09322	1.5
174.99289	1.3
187.98824	4.3
197.04546	1.8
202.98799	3.5
203.08286	8.3
207.95039	1.5
213.03455	6.4
246.04497	3.5
249.06148	1.8
255.04512	3.2
256.03003	1.4
259.03973	2.7
301.05096	100.0
302.05450	8.5
361.07565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.0
58.00606	1.7
59.01381	32.5
59.07719	1.2
61.98842	1.6
67.01897	27.7
68.57468	1.3
68.99814	3.0
69.03449	3.9
69.80084	5.0
71.01390	23.9
72.99309	6.7
73.02949	5.5
75.00884	20.6
75.76947	1.1
81.03462	2.3
83.01389	2.9
85.02959	22.5
85.03429	2.2
86.51007	1.2
87.00877	8.0
89.02448	7.1
93.03486	2.0
95.01417	7.5
99.00880	11.2
101.02457	4.1
103.00415	2.6
111.00892	63.3
112.01208	2.2
113.02459	29.3
117.01970	4.7
119.03497	1.5
119.05028	4.1
129.01961	2.5
137.02443	1.8
137.06102	2.2
160.97699	1.9
161.04535	2.9
163.04024	5.6
174.99248	3.8
175.02502	3.0
189.04028	1.7
189.21735	1.1
191.05582	2.5
202.98720	11.9
203.98416	1.3
217.00304	5.5
231.05077	10.7
249.06174	100.0
250.06586	5.7
273.31662	1.4
361.07782	32.5
361.14798	2.0
362.08051	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	59.4
70.56020	6.4
71.01385	11.5
73.02953	3.5
85.02958	5.0
95.01424	4.4
101.02462	6.7
110.84307	2.9
113.02473	8.6
123.00913	100.0
124.01694	13.0
132.66591	2.8
133.66631	3.1
138.02263	4.6
138.03270	75.7
139.04082	28.7
151.03952	3.5
161.04591	22.0
166.02798	3.4
171.90303	3.0
174.99261	6.2
181.05124	8.3
197.08401	2.9
202.98824	12.5
217.00366	13.0
223.14702	3.4
255.65831	3.2
269.38602	2.9
301.09332	30.6
314.06189	3.2
382.04919	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	361.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33496	0.9
59.01381	7.2
59.55152	0.9
69.68413	5.1
71.01386	5.7
81.79270	0.9
83.01389	2.6
84.31965	0.9
85.02949	2.2
87.00874	2.4
89.02448	3.5
93.07425	1.0
97.02962	100.0
98.03274	2.2
98.21832	1.0
99.44634	0.9
101.02455	3.3
110.03732	1.1
113.02463	1.2
119.05054	9.7
129.03490	11.5
130.04268	1.9
134.03761	10.2
135.04521	4.2
137.09715	3.7
142.02809	1.0
145.02917	3.9
146.03770	20.7
147.04546	59.4
148.04861	2.9
149.06091	23.0
150.03242	2.5
161.06099	9.9
163.04037	11.4
164.04813	31.4
164.06181	1.7
165.05589	76.9
166.05949	4.1
173.02403	0.8
179.07156	50.3
180.07654	3.9
181.08769	5.5
183.10156	1.0
189.05672	0.8
191.07198	1.2
195.06502	1.2
199.09787	1.4
219.06581	6.5
266.38406	1.0
313.10928	4.4
325.10986	5.0
343.14224	1.9
361.15118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98686	8.3
91.05563	1.6
93.70972	0.8
98.22655	1.4
101.03990	1.6
103.05515	0.9
107.05017	1.1
108.02178	1.5
116.10848	0.7
117.03382	0.7
119.05045	14.4
120.05408	0.7
123.04514	1.5
129.02522	1.3
129.03477	20.5
130.04250	3.7
133.36000	0.7
134.02748	1.3
134.03760	23.1
135.04568	5.0
139.73273	0.7
145.03003	5.0
146.03760	33.7
147.04544	98.2
148.04866	4.6
149.06104	42.6
150.03220	3.9
150.06454	1.8
161.06107	15.8
162.03156	1.0
163.04021	17.4
164.04814	47.8
165.05588	100.0
166.05898	5.3
173.06099	0.9
179.07159	71.6
180.07480	4.0
191.07227	1.0
219.06630	13.7
220.07060	1.3
226.53008	0.9
230.02298	0.8
236.35326	0.8
313.10828	7.9
314.11618	0.8
325.10889	8.3
326.11118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
69.32703	3.0
69.33108	8.4
71.01417	2.3
73.30638	1.4
86.43587	1.9
91.05618	2.2
97.01463	1.6
98.22593	3.0
99.79994	1.8
108.02190	2.1
109.02982	1.7
114.94046	1.5
115.75852	1.5
119.05049	9.5
122.03746	2.7
123.00854	1.7
128.54816	1.7
129.03493	14.0
130.04178	2.8
134.03748	11.9
135.04541	3.5
139.11194	2.5
145.02959	4.7
146.03755	22.8
147.04543	65.9
148.04861	2.5
149.06110	28.0
150.03259	3.1
150.06396	1.8
157.06395	1.8
161.06131	9.0
163.04002	15.8
164.04808	36.5
165.05591	100.0
166.05948	4.9
179.07152	46.6
180.07477	2.7
183.10214	1.9
191.07091	2.7
192.30031	1.5
219.06644	9.4
243.12373	7.1
313.10880	3.8
321.38214	1.5
325.10818	5.8
361.09415	2.7
361.15250	2.9
361.22333	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	361.1509
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
57.03460	1.5
59.01384	50.3
61.49338	1.5
64.13053	1.5
71.01386	30.6
71.05036	1.5
71.27859	2.0
72.99298	3.3
73.02955	6.7
75.00878	4.5
79.95738	3.9
80.96535	4.5
81.03505	1.6
83.01403	5.0
83.05035	1.4
85.02950	12.5
87.00884	13.6
89.02451	13.8
93.03461	2.1
95.01403	2.2
97.02961	100.0
97.06596	2.6
98.03294	3.2
99.00890	3.7
101.02467	14.2
105.39032	1.3
110.03755	3.7
111.04549	13.3
113.02466	12.4
115.04023	1.4
117.01928	2.2
118.81598	1.4
119.03502	4.9
119.05050	4.9
119.82756	1.4
129.01958	1.8
129.03487	6.3
134.03773	7.2
134.06172	3.3
135.04562	2.7
137.02441	2.3
137.09740	12.3
138.03236	14.5
138.30870	1.5
139.07681	2.3
140.07224	3.6
142.02754	4.3
145.02953	2.4
146.03770	10.6
147.04538	29.5
149.06090	13.8
161.04651	2.1
161.06010	2.8
163.04056	7.1
164.04845	14.2
165.05585	28.9
166.05875	2.2
171.42326	1.3
178.05136	2.4
179.03598	1.9
179.05673	2.8
179.07150	21.8
180.07959	8.9
181.08720	55.9
182.09181	2.5
183.10292	6.1
185.08253	2.3
186.76389	1.5
196.95871	3.7
199.09746	6.8
214.96909	5.6
219.06607	3.0
225.11229	2.8
243.12439	5.0
249.06328	4.4
303.10962	3.9
313.10941	2.4
325.10855	2.4
343.13968	10.3
361.11020	5.4
361.15112	39.9
361.22189	2.6
362.15323	2.8
373.45160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
56.71288	0.4
59.01382	8.5
67.79989	0.4
68.11320	0.5
68.59298	0.5
69.03473	0.9
69.68013	1.4
69.68412	1.1
71.01393	5.7
73.02940	0.7
75.93691	0.4
83.01392	1.5
85.02960	2.1
87.00890	2.4
89.02451	2.8
93.26408	0.4
97.02961	100.0
98.03307	3.7
98.22453	0.7
101.02453	2.1
105.78681	0.5
108.02222	0.5
110.03723	0.7
111.04526	0.8
113.02471	2.1
119.03510	1.4
119.05022	3.3
120.29005	0.5
121.02934	0.5
129.01950	0.7
129.03494	4.5
134.03758	3.7
135.04576	0.8
137.09760	4.0
138.03288	0.8
145.02977	0.5
146.03757	7.9
147.04543	22.6
148.04898	1.2
149.06096	8.5
150.03239	0.7
161.06110	3.1
163.04027	4.2
163.98825	0.5
164.04811	9.2
165.05588	25.1
166.05901	1.3
179.07152	16.7
180.07819	2.6
181.08755	6.2
199.09766	1.5
208.01601	0.5
219.06656	2.0
223.09798	0.6
313.10846	1.8
325.10776	2.0
343.13831	1.3
361.15244	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
57.28885	1.1
58.03817	1.1
59.01091	2.2
59.01387	37.5
64.25774	1.1
71.01395	2.6
71.27058	1.2
71.27438	1.6
72.99293	1.8
73.02950	4.1
75.00884	2.6
79.01284	0.9
84.77181	1.0
85.02967	1.4
87.00902	1.1
89.02486	2.0
101.02463	1.7
113.02456	1.5
119.05050	4.3
129.03497	3.6
130.83078	1.1
134.03770	3.3
135.03041	3.3
135.04584	1.9
139.11314	20.9
140.11664	1.4
146.03761	7.4
147.04559	22.9
149.06117	9.6
161.06093	3.9
163.04053	3.9
163.11226	1.4
164.04829	10.5
165.05598	26.4
165.09210	1.7
179.07155	15.9
181.12392	12.7
183.10257	27.4
184.10619	1.5
185.55833	1.2
199.13441	8.0
219.06697	3.0
225.11307	8.0
243.12389	100.0
244.12791	5.9
303.10831	2.1
315.08755	3.2
325.10605	1.9
343.08289	1.6
361.09360	4.5
361.15088	20.1
361.22305	2.8
362.09802	1.9
362.15161	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	361.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.5
57.18226	0.4
59.01385	30.5
61.94429	0.4
65.94923	0.4
70.45127	0.4
71.01389	1.2
73.02952	3.5
83.01405	0.5
85.02952	1.1
88.71992	0.4
91.61221	0.4
93.34171	0.4
95.05062	0.5
99.80154	0.4
117.01953	0.9
129.05630	0.5
130.74164	0.5
135.03052	1.0
137.09789	0.5
139.11308	30.0
140.11662	1.1
146.21689	0.4
155.10779	0.6
163.11328	0.9
165.09233	2.0
181.12355	15.4
182.12737	0.7
183.10284	32.1
184.10619	1.9
199.04083	1.0
199.13420	10.7
200.13730	0.9
225.11331	9.6
226.11690	0.8
243.12390	100.0
244.12732	7.8
319.21249	0.6
361.15030	29.2
361.18768	3.2
362.15292	3.2
362.19055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36325	0.2
59.01379	0.4
69.39989	0.4
69.40400	0.5
77.70129	0.2
83.05029	0.2
85.02959	0.3
93.03467	4.3
93.10530	0.1
94.03818	0.2
95.05070	0.2
105.03504	0.2
108.02189	1.2
109.02965	9.0
110.03302	0.2
111.04561	0.5
112.69549	0.1
116.12604	0.2
119.05034	1.2
121.02972	31.3
122.03767	22.4
123.00930	0.3
123.04578	3.8
124.01678	2.3
125.06082	0.2
129.03482	1.9
131.05034	0.3
134.03777	1.2
135.04555	3.9
136.01678	0.4
136.05333	2.0
137.02470	4.0
137.06129	0.2
139.03900	0.2
145.02954	0.2
146.03737	1.6
147.04539	13.1
148.05344	1.3
149.06073	2.3
150.03259	0.8
151.04041	0.4
153.01929	0.5
154.02739	3.9
159.04543	0.7
160.05373	0.9
161.06093	5.6
162.06686	0.8
163.04039	0.7
164.04822	1.1
165.05586	36.1
166.05922	1.9
168.04294	0.5
172.05382	0.2
173.06058	1.0
175.07637	0.9
176.08406	0.3
177.05594	0.3
178.06351	0.9
179.07152	14.5
180.07529	0.7
190.06456	0.2
191.07077	1.0
192.07925	0.2
193.08710	0.5
205.08716	0.3
208.07442	0.4
209.08258	1.3
223.09718	1.4
281.11453	0.2
283.09677	0.4
285.11407	0.5
297.11386	0.3
298.12085	1.5
299.12900	0.2
301.10794	0.6
303.11026	0.4
312.09961	0.2
313.14496	1.7
314.14771	0.2
315.12387	4.3
316.13007	1.2
317.13721	0.3
331.15628	0.6
343.15549	0.6
345.13705	0.4
346.14246	10.8
347.14621	0.9
361.16589	100.0
362.16922	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1663
Annotation	Sauriol A
Peak:m/z	Relative Intensity
53.96724	0.6
55.01847	0.8
57.03432	0.8
59.01385	7.7
70.34331	1.8
71.01388	4.0
73.02911	1.1
80.42817	0.6
83.01374	1.5
85.02925	2.0
87.00809	0.6
89.02417	1.2
90.64063	0.6
93.03466	5.1
101.02386	2.2
108.02126	0.7
109.02964	8.9
109.56306	0.6
113.02412	0.9
119.04964	0.9
121.02972	31.3
122.03773	20.1
123.04593	3.0
124.01612	2.6
129.03413	2.1
134.03680	1.0
135.04561	3.5
136.05206	2.0
137.01485	0.5
137.02437	4.6
146.03674	1.5
147.04532	12.9
148.05193	1.4
149.05977	2.3
154.02782	4.3
159.04466	0.8
161.06100	5.1
162.06860	0.9
164.04712	1.5
165.05586	37.1
166.05821	1.4
168.04135	0.7
175.07542	0.8
178.06235	1.3
179.07153	13.1
180.07390	0.8
191.07025	1.1
199.13229	2.1
209.08144	1.1
223.09587	1.2
243.12286	1.5
274.64136	0.7
290.15826	0.7
297.38272	0.7
298.12000	1.0
313.14233	1.8
315.12411	4.5
316.12790	0.8
319.21060	0.9
346.14261	12.6
347.14203	1.0
361.16342	100.0
362.16763	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	361.2
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61099	3.8
59.01382	7.8
59.82869	3.6
61.98824	6.5
69.26189	8.1
69.26598	22.9
71.64963	4.4
93.64788	4.1
121.10249	26.7
171.10304	66.2
202.98772	10.3
218.86810	5.0
260.87143	5.6
275.20190	100.0
276.20578	9.6
278.11426	6.9
282.27423	4.5
293.21255	65.6
294.21664	6.8
315.19312	20.4
361.20020	36.8
362.19754	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	362.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01712	2.1
63.19358	1.2
69.48473	8.1
71.01385	9.5
71.40459	1.1
73.02961	2.3
85.02951	2.6
86.96573	1.4
89.02454	5.0
101.02451	5.8
113.02501	2.6
119.03527	2.1
119.05022	2.9
140.07193	73.2
141.07550	2.7
161.04556	2.3
163.03984	2.3
165.05569	1.4
183.10223	2.0
201.11490	1.5
302.12598	1.6
363.16708	11.3
389.35895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99604	6.7
59.01386	100.0
61.98840	4.2
66.03487	10.9
68.10264	3.6
71.01389	63.6
71.05038	3.6
71.40915	3.1
72.99335	6.3
73.02956	8.2
83.01398	5.6
85.02972	15.9
87.00864	17.6
89.02457	61.1
89.73658	3.9
95.01393	5.2
98.21803	6.2
101.02470	31.8
102.98599	9.6
112.02261	35.5
113.02473	30.9
119.03505	17.6
119.05024	4.5
122.06163	9.9
143.03603	5.1
161.04630	9.3
167.22762	3.7
179.05638	23.6
233.25484	3.5
249.06133	5.7
275.79388	4.4
283.04797	6.9
362.15213	6.8
363.16638	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
64.78507	0.3
71.01405	1.2
71.26541	0.6
72.91992	0.3
81.90017	0.3
85.02994	0.6
89.02477	0.7
93.03482	1.1
101.02426	0.4
107.05059	0.7
108.02184	1.6
109.02992	0.4
111.04536	0.7
113.02477	0.4
121.02971	13.4
122.03767	12.4
123.04620	0.7
124.01691	1.0
134.03758	13.8
135.04553	7.9
137.02460	1.6
137.06125	1.3
145.02989	0.3
146.03760	19.8
147.04425	1.2
149.06100	26.7
150.03209	3.0
150.06462	1.7
154.02728	1.6
161.06110	9.9
162.03250	1.0
162.06465	0.7
164.04807	9.0
165.05588	14.2
166.06377	15.7
167.07155	100.0
168.07492	5.0
168.08865	0.6
169.39178	0.3
177.05620	0.3
179.07155	44.3
180.07498	3.0
183.10318	0.4
185.70679	0.3
193.08670	1.1
195.06647	0.8
209.08226	0.8
218.51718	0.3
221.08209	8.0
222.08597	0.5
248.40474	0.3
312.10107	0.5
315.09030	0.5
315.12393	3.4
316.12732	0.4
327.12408	5.9
328.12518	0.9
363.16470	2.6
363.21356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35957	0.3
57.32410	0.3
59.01386	2.0
69.53527	1.1
69.53942	0.9
71.01389	1.6
75.68147	0.3
76.01935	0.3
81.14020	0.3
83.05028	0.4
83.79939	0.3
85.02964	0.5
86.31364	0.3
89.02473	0.5
93.03468	0.8
97.00413	0.4
101.02458	1.1
106.36990	0.3
107.05074	1.0
108.02169	1.7
109.03035	0.5
111.04575	1.1
113.02486	0.6
113.06119	0.6
119.03554	0.4
119.05019	0.5
119.94461	0.3
121.02973	14.1
122.03768	13.5
123.04647	0.3
124.01698	0.9
129.59195	0.3
130.58417	0.3
134.03761	16.5
135.04567	7.8
136.01694	0.7
137.02484	2.3
137.03375	0.5
137.06120	1.3
145.02960	0.4
146.03760	20.9
147.04401	1.4
147.41656	0.3
149.02435	0.5
149.06107	27.8
150.03238	3.1
150.06468	1.4
154.02739	2.2
161.06110	10.2
162.03275	0.4
162.06500	0.5
163.04042	0.5
164.04822	10.2
165.05598	16.2
166.06380	16.5
167.07156	100.0
168.07501	5.2
170.04121	0.4
177.05641	0.9
179.07161	44.8
180.07487	2.8
183.10211	0.7
193.08713	1.3
195.06674	0.9
209.08235	0.5
221.08234	9.0
222.08522	0.5
249.80928	0.3
253.39490	0.4
270.64636	0.4
306.79144	0.3
306.82486	0.4
315.12396	4.6
327.12384	5.5
328.12762	0.7
363.16876	3.3
363.21301	0.7
369.57907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01724	2.0
62.83039	1.2
67.09021	1.4
69.08961	5.9
69.09391	6.4
71.01378	4.4
73.02938	2.2
85.02959	2.1
89.02435	2.3
90.42101	1.4
90.47324	1.4
101.02448	1.6
113.02486	1.5
148.73520	1.3
170.31190	1.5
185.46689	1.5
193.32849	1.4
205.82007	1.3
244.12816	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13566	1.0
58.00593	2.1
59.01386	50.2
62.61649	0.9
69.03460	1.2
69.48899	6.0
71.01387	25.4
72.99317	5.2
73.02935	2.4
82.02968	1.2
83.01408	2.7
85.02970	6.4
87.00869	1.9
89.02455	24.8
95.01387	2.4
98.22541	1.1
101.02457	15.5
107.08693	2.0
113.02452	9.2
119.03504	10.6
121.10246	2.0
134.03746	1.7
139.11316	3.0
149.06131	2.4
155.10789	1.7
161.04657	1.8
164.21748	1.0
165.05455	1.1
167.07147	4.6
179.05655	1.4
179.07071	2.2
183.10287	59.5
184.10597	3.8
187.40967	1.4
201.11340	20.5
235.07697	1.0
236.80350	1.0
257.12994	3.8
287.10358	1.6
345.15607	1.2
363.16656	100.0
364.16791	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
57.03433	1.6
58.00594	3.2
59.01387	100.0
67.83328	1.4
69.03461	4.1
69.88931	6.8
71.01392	45.7
72.99308	4.0
73.02950	3.3
83.01406	3.5
85.02959	12.0
87.00881	1.9
89.02457	42.6
95.01379	3.3
101.02451	34.8
111.08181	5.6
113.02471	17.4
113.06141	1.7
117.02007	1.7
119.03526	25.3
121.10248	19.9
139.11302	2.2
143.03481	2.0
149.04546	1.6
161.04570	2.3
163.03957	2.5
179.05666	3.5
183.10292	8.2
197.16972	1.5
201.11328	2.3
217.07133	3.2
287.10437	2.7
303.60983	2.5
363.16718	43.3
363.21173	2.5
364.16864	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	363.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	6.0
69.15701	17.1
69.16111	7.1
69.20444	3.0
85.69411	2.7
89.97594	3.1
96.68300	2.8
96.96013	3.2
137.87817	2.8
171.10280	27.9
277.21793	37.2
277.40897	3.6
278.22235	3.9
295.22812	100.0
296.23080	14.0
317.20917	16.9
361.19882	3.2
363.21564	33.5
364.21280	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	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	1.5
58.88135	1.0
59.01390	4.1
69.97196	1.1
71.01388	3.5
73.02958	1.6
79.20721	1.1
84.02172	1.2
84.91746	1.3
108.54391	1.1
121.02982	4.4
125.09743	4.8
127.11281	4.2
129.09261	2.0
137.09789	1.2
139.07346	1.0
141.09256	3.3
153.09232	1.3
155.10826	1.1
171.10300	28.0
172.10692	1.1
185.11848	4.5
197.11916	2.5
201.11357	23.8
201.81105	1.0
202.11757	1.8
202.53630	1.0
213.09789	1.0
213.11440	9.5
272.07654	1.2
345.22876	7.4
363.23929	100.0
364.24539	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	364.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74520	8.7
59.01394	75.3
61.98846	100.0
62.57860	11.1
71.01370	13.0
71.25169	18.0
72.99327	10.8
78.84791	9.1
78.95928	14.3
97.15681	10.0
100.54992	9.4
101.02466	12.7
135.62393	10.5
364.15579	17.6
365.14334	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	365.0881
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
55.63431	0.6
59.01391	3.6
71.01396	3.4
73.02932	0.8
75.00887	1.7
82.01560	0.6
85.02956	2.0
89.02396	0.8
95.01429	0.6
101.02448	0.9
109.02962	0.6
113.02461	2.7
115.07674	6.4
128.34174	0.6
158.03763	14.1
159.04520	5.1
170.46382	0.6
171.04535	2.3
201.01892	0.7
201.05550	2.9
202.02737	100.0
203.03253	8.4
213.05600	2.3
216.22136	0.7
231.06706	1.0
245.04565	1.3
249.06200	1.9
275.05637	1.9
284.03391	1.7
365.08826	41.6
365.14444	5.1
366.09106	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	365.136
Annotation	Semilepidinoside B
Peak:m/z	Relative Intensity
59.01393	25.4
64.15635	0.9
69.32250	3.3
69.32680	3.8
71.01375	4.1
72.00922	11.3
73.02943	1.5
74.02483	12.1
83.01403	1.4
85.02948	2.5
89.02461	5.5
101.02494	5.6
108.02182	3.5
113.02458	3.1
116.05090	45.0
117.05392	1.3
119.03538	1.5
123.04530	2.7
133.02953	1.8
142.06630	13.3
152.01186	3.5
159.09300	9.8
160.04073	10.5
161.04732	1.4
167.03535	10.9
179.05667	1.5
185.07156	1.5
186.05688	2.1
203.08298	78.7
204.08626	4.6
209.87830	1.2
213.83893	1.0
217.09982	1.5
256.70782	1.0
283.26239	1.0
365.13599	100.0
366.09171	2.2
366.13882	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
57.03448	6.8
59.01381	50.8
69.03468	2.3
69.06758	20.2
71.01389	100.0
72.99335	4.1
73.02962	25.0
75.00883	75.2
83.01408	8.5
85.02960	37.5
85.06602	2.4
86.00097	2.4
87.00888	8.7
89.02460	28.2
95.01417	6.7
97.02935	2.7
98.03747	8.7
99.00900	11.3
101.02454	70.0
111.00821	2.8
113.02464	38.1
119.03539	4.9
123.08191	28.9
125.96755	2.3
129.02000	2.7
131.03520	7.0
133.02974	3.2
141.09232	44.2
143.03517	3.1
145.05080	6.0
149.04607	6.3
159.02991	12.5
161.04578	93.2
162.04852	2.3
191.05705	4.9
205.03545	2.6
235.08258	67.9
237.06213	35.1
237.28285	2.1
243.18683	2.3
279.07184	4.7
365.14615	46.9
365.19534	5.7
366.15091	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	365.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94007	0.7
57.03435	2.7
59.01384	14.9
61.28942	0.6
61.67752	0.6
63.99729	0.6
67.01890	1.0
67.40611	0.6
71.01396	14.6
71.27300	1.3
72.17806	0.7
72.99303	4.1
73.02956	1.5
74.81946	0.8
75.00881	14.0
82.62112	0.7
83.01415	1.1
85.02960	15.5
87.00875	7.2
88.49691	0.6
89.02451	3.4
90.86783	0.7
95.01395	4.6
97.24705	0.7
99.00882	8.6
101.02448	1.0
103.00385	2.0
108.35909	0.8
113.02467	22.2
115.00423	1.3
115.07663	100.0
116.07978	3.8
117.01972	2.4
129.01924	1.2
133.53122	0.7
147.87251	0.7
157.01482	0.9
175.02466	2.8
189.04030	0.8
205.07185	1.0
231.05133	2.2
249.03703	1.3
249.06172	17.3
250.06369	1.5
267.07214	1.6
297.52890	0.8
305.12317	0.9
347.13480	2.6
365.14529	53.9
366.14886	5.9
384.65250	0.7
386.69925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87097	0.6
55.01874	1.0
57.03453	2.5
58.00612	0.8
59.01387	16.1
59.88541	0.7
65.00322	1.9
68.69814	0.6
69.03436	1.0
71.01389	17.2
72.99330	4.0
73.02956	1.2
75.00883	16.1
75.48145	0.6
83.01399	1.2
85.02960	16.3
87.00888	6.2
89.02462	4.9
93.03461	1.0
95.01373	4.0
95.05042	0.8
99.00893	8.8
101.02490	1.5
103.00404	2.1
107.01454	0.8
109.02964	4.8
110.52538	0.7
111.00903	1.1
113.02467	21.8
113.06079	1.1
115.00401	2.0
115.07665	100.0
116.07996	4.3
117.01971	2.4
119.03545	1.0
122.91209	0.6
125.02443	1.1
129.01974	1.9
133.02971	3.8
151.00403	2.1
157.01419	0.8
175.02501	2.1
192.31473	0.7
193.01442	0.8
205.07188	0.8
216.02231	0.8
219.08678	1.2
231.05183	1.8
233.92551	0.8
237.54988	0.7
249.06165	16.0
250.06557	1.2
267.07208	2.6
284.03305	18.2
284.53403	8.8
285.03574	1.2
288.10770	0.7
305.12366	0.8
347.13354	2.7
365.14514	54.3
365.18198	2.0
366.14896	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75587	1.6
55.74170	1.5
57.03451	1.8
59.01389	34.2
61.98835	7.4
71.01387	19.5
71.26405	2.5
83.01403	2.9
85.02979	10.4
89.02459	12.0
99.08213	1.8
101.02441	10.7
113.02492	7.5
119.03515	4.6
125.02423	2.0
127.11345	2.2
138.61310	1.4
139.11243	1.8
157.12367	13.8
185.11882	13.7
195.70558	1.7
203.12900	27.2
204.13258	2.7
256.41937	1.7
307.03116	1.4
365.18192	100.0
366.18533	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76187	1.2
55.01874	2.1
57.03442	1.6
58.00603	1.2
59.01386	100.0
60.01698	1.0
67.57014	1.1
67.89405	1.1
70.84457	2.3
71.01389	28.1
71.05025	1.2
72.99303	2.1
73.02946	6.7
83.01390	4.7
85.02954	12.3
85.25772	1.0
87.00877	2.1
89.02466	18.7
95.01423	1.8
97.78578	1.0
98.68879	1.3
99.00893	2.1
101.02457	20.3
101.06097	4.6
113.02467	11.3
119.03515	10.9
144.48363	1.2
154.99893	1.9
159.02988	1.2
159.10269	3.1
161.04662	6.0
183.10329	1.2
185.11917	2.5
186.51468	1.3
187.23398	1.1
203.12901	4.6
305.16068	4.6
347.17087	6.0
359.44861	1.2
365.18188	58.9
366.18552	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.9
57.03450	1.2
58.00589	1.8
59.01385	28.3
60.01690	0.6
67.37878	0.5
71.01387	16.1
71.05029	3.2
71.27197	0.4
71.27594	0.7
72.99300	1.3
73.02970	2.2
75.00855	0.5
79.14165	0.5
83.01391	2.5
85.02963	4.1
87.00878	1.1
89.02454	13.4
95.01391	1.2
97.06600	0.6
99.00903	1.0
100.27122	0.5
101.02453	12.2
110.93522	0.5
113.02470	7.1
119.03508	5.6
119.05026	0.7
127.11311	2.3
133.84142	0.5
137.09792	0.9
139.11317	0.8
143.03506	0.5
155.10797	2.2
157.12355	14.7
158.12695	0.7
161.04541	1.0
169.12425	0.5
171.13914	1.3
174.33157	0.5
179.05627	0.7
185.11850	2.1
187.13383	1.4
199.13414	1.4
203.12897	46.8
204.13249	2.4
208.53967	0.5
245.13957	1.5
305.94604	0.6
317.84656	0.6
365.18179	100.0
366.18594	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03445	5.5
58.00604	2.5
58.56924	1.0
59.01384	100.0
60.01728	1.3
71.01390	57.9
71.27715	1.9
72.99303	3.9
73.02953	18.8
75.00854	1.6
75.23063	1.1
83.01391	5.5
85.02956	19.5
85.06604	2.2
87.00887	14.0
87.04530	7.2
89.02454	38.8
95.01388	4.1
96.82161	1.2
97.06594	5.4
99.00887	3.9
101.02449	39.4
113.02464	25.5
115.07646	2.0
119.03514	18.3
120.03875	1.4
125.02393	1.3
126.71076	1.2
129.01979	1.6
129.09236	12.1
131.03537	1.9
138.77365	1.2
139.07654	1.5
141.09209	2.3
143.03505	3.4
144.15158	1.1
158.01978	1.2
159.02994	4.7
159.08931	2.5
159.10274	48.6
160.10660	2.6
161.04572	19.3
161.11731	1.1
179.05635	6.5
203.12894	6.9
305.16104	2.0
323.17099	3.3
365.14645	1.4
365.18198	31.8
366.18518	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03442	2.4
58.00598	1.0
59.01388	31.5
69.33060	2.8
69.33473	1.4
71.01392	18.5
71.24555	0.6
72.01720	0.7
72.46545	0.6
72.99327	1.7
73.02953	1.6
83.01387	1.8
85.02957	3.3
87.00867	1.4
89.02456	16.4
95.01395	1.1
98.21767	1.2
99.00889	1.1
101.02461	11.7
101.06112	0.8
111.23062	0.6
113.02474	6.3
113.09735	0.9
119.03521	5.8
125.02461	0.7
127.11287	1.0
133.02975	2.7
141.09288	1.0
141.39236	0.7
142.06590	1.2
155.10817	2.6
157.12357	15.0
158.07887	0.7
158.12714	0.9
159.04562	0.8
161.02452	0.9
161.04543	0.6
171.13945	0.8
177.01929	1.0
185.11858	3.2
186.05574	0.9
187.13429	1.6
199.13420	1.5
203.12895	49.0
204.13234	2.8
245.13933	1.4
365.18195	100.0
366.18539	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	365.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75587	1.6
55.74170	1.5
57.03451	1.8
59.01389	34.2
61.98835	7.4
71.01387	19.5
71.26405	2.5
83.01403	2.9
85.02979	10.4
89.02459	12.0
99.08213	1.8
101.02441	10.7
113.02492	7.5
119.03515	4.6
125.02423	2.0
127.11345	2.2
138.61310	1.4
139.11243	1.8
157.12367	13.8
185.11882	13.7
195.70558	1.7
203.12900	27.2
204.13258	2.7
256.41937	1.7
307.03116	1.4
365.18192	100.0
366.18533	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	365.2338
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
57.03438	2.3
59.01100	1.3
59.01388	25.2
59.84698	0.8
60.05199	0.8
61.98838	1.2
69.03447	1.5
69.78394	0.8
73.29621	0.7
77.54182	0.7
78.02741	0.8
78.07822	0.7
86.43459	0.7
96.96008	1.2
103.89830	0.7
166.00832	0.8
220.72414	0.8
230.26991	0.9
245.19099	2.9
256.21295	0.8
287.20114	12.1
287.23120	0.9
288.20670	1.2
296.15579	0.8
305.21292	16.0
306.21545	1.3
321.24335	2.7
347.22290	15.1
348.22559	2.4
365.23358	100.0
366.23691	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.27
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.17193	1.7
71.28500	2.7
85.06561	3.1
125.17027	2.1
137.94676	1.8
149.54202	1.9
155.48105	1.8
164.49738	2.3
279.19659	18.4
280.20068	2.8
347.26019	5.3
365.26999	100.0
366.27191	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	365.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30302	40.2
69.30706	100.0
84.19361	16.0
88.92092	21.1
91.16484	16.6
98.21804	32.3
105.24774	18.3
111.08701	18.1
148.15224	15.8
152.69315	15.4
167.63857	16.8
173.28743	18.4
195.47343	21.2
218.89398	16.9
229.67822	18.2
252.69978	18.5
269.47830	18.9
352.18954	22.0
365.27188	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	366.047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09933	3.2
58.77971	3.2
61.98837	100.0
70.07039	9.2
75.60924	3.6
83.01381	4.7
85.02967	25.5
85.03400	4.0
110.41201	3.2
111.00925	3.5
114.70281	3.3
125.02463	17.2
127.32626	3.8
134.03714	5.6
147.03041	7.4
151.00406	4.0
160.01643	4.5
172.99455	4.4
175.04050	9.4
177.01900	7.8
191.01997	7.2
191.05656	3.3
284.03375	5.9
285.04010	24.9
303.05124	13.5
367.04636	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	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28894	1.1
61.98825	0.8
69.54256	2.9
69.54660	1.3
97.59802	0.8
104.05087	1.0
105.07127	0.9
112.66836	0.7
114.36226	0.7
120.04539	0.9
124.46031	0.6
130.06645	0.8
130.77843	0.7
132.04561	2.4
146.06175	4.0
148.07709	48.0
149.08012	3.0
219.15594	0.8
252.92917	0.9
308.28854	0.7
366.24396	100.0
367.24738	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	367.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58887	1.0
57.64035	1.1
59.01383	6.7
60.81496	1.2
63.24381	1.1
67.01899	4.5
71.01381	1.6
72.99309	3.9
78.77037	1.0
83.01405	3.4
85.02959	17.1
87.00866	1.7
93.03475	7.3
101.02402	2.0
109.67096	1.1
111.00897	100.0
112.01274	3.2
129.01953	4.2
134.03749	2.3
141.63623	1.1
154.99883	13.2
173.00923	26.2
173.04584	6.0
185.73199	1.3
193.05000	1.5
367.10474	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	367.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44838	0.4
57.03457	0.7
59.01387	1.9
67.01897	2.4
69.18386	3.0
71.01378	1.5
72.99297	1.2
73.02947	0.5
83.01385	1.4
83.05006	0.7
85.02961	13.3
86.03282	0.5
87.00889	2.7
93.03470	6.8
94.03778	0.6
98.22559	0.8
101.02468	0.8
109.02973	0.7
111.00896	33.4
111.04526	1.7
112.01249	0.8
113.02495	1.2
117.03473	0.5
121.02941	0.4
127.04031	1.9
129.01978	1.3
134.03757	4.9
144.72038	0.4
154.99875	4.5
155.03516	0.5
163.11388	0.4
171.03050	0.4
173.00940	10.2
173.04610	3.0
174.01605	0.9
175.03996	0.4
191.05630	100.0
192.05989	4.1
193.05075	1.4
205.12358	4.1
240.80220	0.4
367.10306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.0
59.01389	5.0
60.99333	0.3
66.89794	0.2
67.01881	1.0
68.19170	0.3
69.03463	0.5
69.70209	0.7
69.70603	0.4
71.01385	3.2
72.99304	0.3
73.02946	0.9
81.03466	0.5
83.01404	0.4
83.05016	0.6
85.02957	9.8
86.03284	0.2
87.00893	3.0
89.02441	0.8
91.06904	0.3
93.03467	7.6
95.01398	0.4
95.05009	0.4
97.06659	0.3
99.00910	0.4
99.04511	0.4
101.02438	0.7
107.05032	0.4
109.02963	0.7
111.00897	0.7
111.04534	2.1
113.02468	1.6
117.03482	1.9
119.03491	0.3
119.05044	0.5
121.02927	0.3
121.06598	0.4
127.04030	2.4
129.01987	0.4
134.03760	3.8
135.04558	0.4
135.08231	0.6
145.02963	6.2
146.03368	0.3
147.08156	2.5
149.06062	0.2
149.09720	0.5
153.09253	0.3
155.31447	0.3
160.01685	0.6
160.04042	0.8
161.04562	0.5
161.05971	0.2
161.09770	0.9
163.04005	0.6
163.11299	0.6
164.08369	0.4
171.03032	0.5
171.08168	0.5
173.04562	2.9
175.03957	0.3
175.11327	0.6
177.12831	1.0
179.10823	0.4
187.11275	3.0
188.08357	0.3
189.09273	1.3
190.09967	0.6
191.05629	100.0
192.05968	4.2
193.05042	1.7
202.12578	0.3
203.10764	1.0
205.12347	22.2
206.12697	1.7
223.13441	0.8
293.52463	0.3
367.10361	1.2
367.18811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19243	0.4
53.50340	0.5
55.01895	0.5
57.03441	0.5
59.01390	2.1
60.99298	1.7
67.01900	5.4
69.03449	1.8
70.13938	0.4
71.01382	2.5
73.02937	0.4
81.03459	1.2
83.05022	1.1
85.02966	6.8
87.00895	7.6
90.25291	0.4
93.03474	29.3
94.03816	1.5
94.72354	0.4
99.00938	0.6
99.04539	0.5
109.02935	0.6
111.00874	2.0
111.04549	4.6
113.02464	0.7
117.03480	1.1
127.04060	1.4
129.01944	1.6
129.61642	0.4
134.03766	14.4
135.04115	0.6
137.02452	0.5
143.03664	0.5
149.06155	0.5
155.03543	1.5
171.02971	0.5
173.00893	0.4
173.04576	15.7
174.04929	1.0
175.03976	0.6
184.68445	0.4
191.05652	100.0
192.05966	4.8
193.05107	7.2
194.05547	0.6
314.22681	0.4
367.10379	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	367.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03455	1.7
58.00588	0.8
59.01091	1.4
59.01387	24.9
61.98841	8.1
62.93576	0.7
69.03487	0.8
69.43224	5.3
71.01388	19.3
72.87498	0.9
72.99336	1.8
73.02953	5.4
83.01401	2.9
83.05048	1.0
85.02961	13.1
87.00895	1.6
88.97021	0.9
89.02454	10.1
89.03981	2.5
93.03486	4.2
96.36628	0.8
97.02976	1.1
98.22518	0.9
99.00903	2.6
101.02454	18.5
111.00890	2.9
111.04536	3.5
113.02457	6.8
117.03488	7.9
119.03539	1.5
121.03027	0.8
125.02454	2.4
129.02007	1.1
131.03496	7.3
134.03758	92.8
135.04097	3.9
137.02435	0.9
138.25206	0.9
138.72142	0.9
143.03482	1.3
149.04588	2.6
149.06107	7.7
155.03531	3.1
161.04608	4.0
164.00694	0.8
173.04578	8.8
191.05620	11.4
193.05081	100.0
194.05391	6.3
206.89659	0.7
233.06818	0.8
235.11884	26.0
236.12206	1.4
323.43594	0.9
367.10474	4.7
367.16110	14.2
368.16562	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	367.1187
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
54.51949	3.1
58.46781	3.4
61.86760	3.4
62.78741	3.0
64.27094	3.4
66.59866	3.2
69.23307	30.4
71.38351	3.5
75.13436	3.3
80.50035	3.7
131.52478	3.5
162.03259	5.8
176.47484	3.3
177.05594	11.5
185.46825	3.8
221.06120	4.2
222.06783	11.3
238.06297	12.3
241.05031	8.4
242.05766	7.7
249.05629	5.6
250.06371	11.0
251.07069	5.0
253.59311	4.0
266.05890	19.8
277.05212	6.8
278.05896	64.1
279.06522	12.7
281.08270	7.2
291.06741	3.9
292.07440	6.2
294.05344	8.6
306.05316	39.0
307.06064	40.5
309.07626	5.1
310.58694	3.2
320.06827	12.8
321.07657	100.0
322.04764	14.0
322.08347	31.4
335.09326	10.8
336.10025	70.6
337.07193	72.8
337.10757	16.2
338.07529	8.6
351.08881	9.5
352.09579	43.8
367.11679	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01394	6.1
67.20514	0.8
70.42485	0.8
70.42813	2.1
71.01390	2.1
84.51846	0.8
85.02956	1.4
87.04541	1.4
87.44226	0.7
89.02451	1.0
96.95956	1.1
121.02976	2.7
137.03436	0.8
147.04536	1.5
148.05325	100.0
149.05624	4.7
163.07669	61.9
164.07994	4.3
191.05453	1.0
205.12222	1.1
310.13181	0.9
367.21140	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	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.3
57.03444	4.7
58.00601	2.5
59.01387	100.0
59.99170	1.2
60.01725	1.6
61.98835	7.0
69.03445	2.1
69.66891	5.6
71.01389	71.0
72.01717	1.8
72.99307	5.2
73.02583	1.5
73.02957	19.9
83.01403	13.5
85.02961	33.6
86.03269	1.2
87.00871	5.5
89.02459	37.8
93.03461	5.7
95.01389	2.8
97.02946	2.6
99.00893	9.0
101.02452	67.7
102.02779	2.2
111.00900	6.1
113.02464	24.9
115.04012	1.8
119.03514	3.2
125.02450	3.5
129.01901	3.0
131.03520	25.5
134.03773	11.4
143.03523	4.5
149.04567	8.3
154.24442	1.3
159.02965	2.6
161.04567	17.4
173.04509	2.8
182.10722	1.4
191.05644	17.0
193.05075	10.1
204.06578	1.5
212.81989	1.3
233.06645	3.3
235.11893	79.5
236.12265	3.1
276.58505	1.4
367.11386	2.3
367.16049	47.5
367.20261	3.4
368.16360	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	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.0
57.03459	6.4
57.49595	1.1
58.00590	3.1
59.01385	74.7
61.98522	1.2
61.98838	22.1
65.63992	1.0
67.01904	1.1
69.03455	3.3
71.01390	79.0
72.01729	1.2
72.99313	6.8
73.02584	1.6
73.02956	25.5
75.00897	1.4
75.81528	1.0
81.03465	2.3
83.01398	17.7
83.05041	1.1
85.02962	38.4
86.00118	1.3
87.00874	5.2
88.97030	2.1
89.02457	35.1
89.03979	1.9
93.03455	4.2
95.01423	3.3
97.02947	3.7
98.22564	1.6
99.00890	10.6
101.02457	78.5
102.02781	2.4
107.05029	1.0
109.02979	1.6
111.00884	6.9
111.04522	4.2
112.82040	1.0
113.02470	21.6
115.03994	1.0
117.03493	9.1
119.03535	2.1
125.02453	6.8
129.01901	2.7
131.03519	27.0
132.03882	1.5
134.03758	98.8
135.04103	4.3
137.02495	1.0
143.03505	4.5
149.04605	8.9
149.06020	6.6
155.03539	3.2
159.02945	3.6
161.02441	1.3
161.04573	18.6
173.04546	6.8
191.05685	10.9
193.05078	99.8
194.05428	6.8
205.03514	3.6
217.10794	1.6
233.06772	3.5
235.11890	100.0
236.12349	5.7
279.10867	1.8
367.10742	4.1
367.16077	58.3
368.16443	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	367.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.7
57.03458	5.6
58.00596	3.5
59.01385	78.0
61.98838	31.5
68.99828	0.8
69.03458	1.4
69.17940	3.8
69.18365	3.7
71.01392	76.1
72.99315	6.7
73.02959	26.8
73.03375	1.3
75.00867	1.2
83.01402	17.7
85.02960	30.2
86.00084	0.9
86.03313	1.2
87.00895	4.7
89.02460	39.6
95.01399	4.0
97.02982	3.2
99.00900	11.3
101.02454	77.5
111.00909	5.9
113.02465	22.0
115.03983	1.4
119.03499	1.8
125.02478	4.1
128.47198	0.8
129.01964	1.7
131.03525	29.5
132.03804	1.0
134.03741	1.6
136.69980	0.9
143.03499	3.5
149.02509	1.0
149.04558	9.8
157.07808	1.0
159.02957	4.0
161.04581	23.2
191.05655	2.2
191.79001	1.2
191.80753	1.2
193.04988	1.4
205.03583	1.1
215.05591	1.7
217.10765	1.2
233.06633	2.7
235.11894	100.0
236.12186	6.9
241.66113	0.8
279.10889	1.9
301.06256	0.9
301.31711	0.9
325.16223	1.0
367.16119	70.9
368.16513	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	367.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03453	8.4
59.01385	2.5
66.71727	0.2
69.03484	1.1
71.01392	4.5
72.99272	0.2
73.02962	1.1
83.01406	0.6
85.02958	2.5
87.00861	0.6
89.02454	0.4
93.03477	0.4
93.07117	0.2
95.01399	0.4
95.05070	1.2
97.02963	0.7
97.06612	1.7
98.22533	0.5
99.00904	0.8
99.53916	0.2
101.02467	2.0
106.04232	0.3
107.05053	1.6
109.06619	0.5
113.02473	1.4
119.05025	1.1
119.08663	0.3
121.02961	0.2
121.06617	1.6
123.08191	1.7
124.40119	0.2
129.28577	0.2
131.05052	1.4
135.04567	0.6
135.08180	2.4
138.06880	0.8
145.01474	0.3
145.10225	0.5
147.04507	0.3
147.08182	12.2
148.08481	0.6
149.06082	0.6
149.09735	2.8
151.07654	1.6
159.02971	0.3
159.08197	0.4
160.08975	0.9
161.04597	1.3
161.09761	2.4
162.06857	0.4
163.09879	0.3
163.11305	4.9
164.08437	0.5
165.05556	0.3
171.08182	2.2
172.08971	1.2
173.04547	0.2
173.06064	0.3
173.09587	0.3
175.07660	0.9
175.11296	2.6
176.08395	0.3
176.11563	0.4
177.12875	5.2
180.19614	0.2
187.11308	17.0
188.08502	1.7
188.11607	1.1
189.09232	6.2
189.77516	0.2
190.10014	2.7
203.10814	4.7
204.11188	0.5
205.12358	100.0
206.12694	8.5
206.14682	0.3
222.09027	0.3
376.78574	0.3
383.49097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10933	0.6
59.01385	100.0
60.01723	1.3
64.53580	0.7
67.01895	2.2
71.01391	5.4
73.02963	2.0
76.15809	0.6
80.22022	0.7
83.01407	1.0
85.02937	4.0
87.00887	5.1
89.02444	1.8
93.03468	8.0
98.22594	0.9
99.00920	1.1
101.02453	5.3
103.41325	0.6
111.00902	7.8
111.04549	1.3
113.02489	2.2
117.03519	1.0
119.05062	3.6
129.01990	1.5
134.03770	4.7
145.03004	1.2
154.99950	1.9
161.04611	2.6
163.04024	3.1
173.01012	2.3
173.04556	5.5
191.05640	19.6
191.07339	1.2
193.05142	2.4
235.06078	0.9
281.03809	0.8
307.17648	7.6
308.18182	1.1
367.10510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10933	0.6
59.01385	100.0
60.01723	1.3
64.53580	0.7
67.01895	2.2
71.01391	5.4
73.02963	2.0
76.15809	0.6
80.22022	0.7
83.01407	1.0
85.02937	4.0
87.00887	5.1
89.02444	1.8
93.03468	8.0
98.22594	0.9
99.00920	1.1
101.02453	5.3
103.41325	0.6
111.00902	7.8
111.04549	1.3
113.02489	2.2
117.03519	1.0
119.05062	3.6
129.01990	1.5
134.03770	4.7
145.03004	1.2
154.99950	1.9
161.04611	2.6
163.04024	3.1
173.01012	2.3
173.04556	5.5
191.05640	19.6
191.07339	1.2
193.05142	2.4
235.06078	0.9
281.03809	0.8
307.17648	7.6
308.18182	1.1
367.10510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2128
Annotation	Querciformolide D
Peak:m/z	Relative Intensity
51.58186	1.0
55.83501	1.0
57.04721	1.0
59.01095	1.6
59.01384	19.8
60.29052	1.2
61.98827	1.1
68.99607	0.9
86.58924	1.1
89.45043	1.0
91.75790	1.1
98.21690	1.5
105.18353	1.2
121.02911	1.5
121.59659	1.2
214.86708	1.3
245.19064	11.7
246.19493	1.1
263.20224	10.9
305.21262	43.1
306.21545	4.5
307.19257	1.6
309.20642	1.6
323.22333	15.2
324.22696	1.5
349.19839	1.8
367.16757	6.8
367.21237	100.0
367.96140	1.1
368.21643	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	368.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32109	12.5
56.58133	16.0
57.03466	18.1
59.01389	68.2
60.47513	12.4
71.01391	100.0
73.02953	24.5
73.04079	21.0
77.25222	12.3
85.02952	52.7
89.02477	23.0
99.00857	16.1
100.14463	13.0
101.02452	50.4
106.68993	12.4
113.02468	43.1
125.01032	15.6
127.00383	28.2
145.01476	16.4
161.04654	17.3
162.09259	35.3
208.69577	17.1
250.12390	17.0
336.89719	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	368.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88543	0.7
56.39315	0.8
56.75972	0.8
59.01392	4.3
61.19446	0.8
65.44090	0.8
68.31207	0.7
69.38156	4.9
71.01375	3.8
72.99287	1.5
73.02928	1.2
85.02956	1.3
87.00864	1.4
89.02448	1.4
95.03723	0.7
101.02444	3.9
101.95918	0.8
102.90023	0.7
107.05669	0.8
113.02423	1.5
117.00426	2.0
118.03364	1.5
125.02451	2.3
130.08754	100.0
131.02022	3.5
131.09090	3.6
160.04048	1.2
161.04547	1.8
171.95836	0.8
189.42793	0.8
205.03554	3.4
207.08707	1.1
211.01038	1.1
223.04620	2.7
257.03766	2.1
273.03107	1.9
308.97705	1.0
369.01651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0831
Annotation	6,7-Dihydroxy-5-methoxycoumarin 6-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01870	2.6
57.03456	3.2
59.01385	3.2
61.98827	2.8
69.03458	2.0
69.10593	11.4
71.01382	5.2
72.99319	27.2
75.00879	4.9
81.03468	23.0
85.02959	18.6
87.00890	5.4
93.03487	5.6
97.02924	1.7
98.22552	2.7
99.00893	19.8
105.86176	1.2
111.00897	3.4
113.02459	6.0
117.01971	4.3
119.05056	4.5
125.01539	2.9
125.02471	60.3
126.02802	3.0
129.01964	22.7
130.06728	1.5
131.03557	1.8
133.02988	6.7
143.03508	10.4
147.03011	7.6
151.04027	1.5
161.02417	1.7
161.04587	4.4
163.00412	2.8
163.03928	3.1
164.29283	1.6
173.04625	3.9
190.99911	17.1
191.05577	8.4
192.00664	36.3
193.00986	3.0
205.03552	69.1
206.02182	3.6
206.03917	3.0
207.03011	37.2
208.03381	2.2
215.05644	1.8
223.04619	100.0
224.05009	3.2
351.07471	1.6
369.08307	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	369.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
59.01373	4.5
69.03456	3.5
70.61858	1.4
71.01373	6.0
71.25676	2.7
72.99315	32.9
75.00890	7.2
81.03465	31.7
85.02961	19.9
87.00876	5.9
89.02463	3.3
93.03471	3.3
97.02962	2.2
99.00890	26.4
111.00899	2.1
113.02461	10.0
117.01940	5.2
119.05058	5.6
122.77982	1.7
125.02467	78.3
126.02805	3.9
129.01967	28.3
131.03497	3.4
133.02968	3.6
143.03497	13.1
147.03029	11.7
151.04111	1.8
159.03032	2.6
161.04564	4.1
163.03987	4.3
164.80014	1.5
169.01459	2.2
173.04536	2.6
191.05617	10.1
205.03558	82.1
206.03896	2.8
209.06114	1.7
213.64702	1.7
223.04619	100.0
224.04938	3.8
351.31931	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	369.1919
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01873	3.6
57.03463	8.0
58.00603	1.5
59.01386	34.8
68.99805	1.2
69.03518	2.0
69.03868	8.7
71.01389	99.8
72.01721	1.5
72.99302	3.7
73.02956	14.7
75.00854	0.9
81.03464	1.1
83.01409	5.6
84.02168	1.6
85.02958	56.2
87.00887	22.7
89.02453	20.4
95.01402	17.3
97.02948	5.7
99.00883	5.5
99.77888	0.8
101.02452	40.7
102.02821	1.4
113.02464	100.0
114.02783	2.6
114.12112	0.9
119.03522	2.4
125.02459	4.2
131.03525	1.3
136.57425	0.9
137.06081	1.1
137.09729	9.2
138.06889	2.5
143.03542	5.3
149.09729	1.9
153.09254	3.4
159.56047	0.9
161.04582	9.7
163.11310	2.6
173.09789	5.5
189.12881	35.9
190.13213	3.3
191.05588	1.1
191.49362	0.9
207.13904	12.6
208.14337	1.0
225.14955	3.3
245.65726	0.9
272.50232	1.0
276.64084	0.8
280.44183	1.0
369.19220	45.3
370.19443	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	369.1925
Annotation	CHEBI:66791
Peak:m/z	Relative Intensity
50.96467	1.1
53.22886	1.2
57.03455	100.0
58.03785	2.1
59.01384	80.2
68.98105	12.1
69.03456	1.4
71.01392	1.9
75.67897	1.4
79.85949	1.0
80.53992	1.1
98.21841	2.5
105.03593	1.1
126.92680	1.0
141.33582	1.1
159.58315	1.1
161.63435	1.0
177.12813	2.1
179.10764	2.2
195.13882	2.8
208.39171	1.3
221.11923	3.0
221.19106	1.2
237.14984	30.0
238.15268	3.1
249.14980	8.6
265.18118	7.9
266.18576	1.9
299.18988	1.3
307.19193	5.3
309.17236	2.5
325.20126	8.1
369.19199	96.6
370.19397	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2287
Annotation	Platenolide II
Peak:m/z	Relative Intensity
59.01385	100.0
59.51014	1.6
61.98826	2.4
70.71944	1.6
70.72285	4.8
85.02988	1.6
111.08144	2.1
169.30632	1.8
181.12323	3.9
183.13971	3.5
197.11812	6.9
211.13405	51.6
212.13731	2.3
269.98099	2.2
291.19797	6.0
309.20724	27.7
309.28333	1.7
327.21848	4.2
369.22852	48.3
370.23160	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	369.2439
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
53.58792	0.7
55.48191	0.8
56.53911	0.7
57.45879	0.8
69.07522	3.4
69.07952	4.0
77.19723	0.9
96.42361	0.9
99.92656	0.9
104.02682	2.0
117.37621	0.8
133.10237	1.9
147.08156	1.2
149.09752	1.1
161.09642	1.0
163.11307	100.0
164.11649	6.0
179.10793	21.7
180.11125	1.0
193.12355	26.0
194.12663	2.5
337.21713	12.7
338.22208	2.0
369.24377	79.3
370.24753	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	370.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00590	3.5
59.01385	64.8
60.01703	2.2
61.98846	8.7
71.01390	35.0
71.26166	1.3
72.99319	6.0
73.02959	3.5
80.95015	1.2
83.01375	2.8
85.02962	11.5
87.00879	13.3
89.02458	36.8
89.87446	1.3
91.59983	1.1
93.03473	1.3
95.01391	2.3
96.95996	1.3
98.02534	1.1
99.00879	2.7
101.02448	28.6
105.34000	1.3
113.02457	13.2
119.03506	17.8
119.05020	2.3
123.00909	1.4
123.04446	1.6
125.02475	1.3
131.03516	1.3
134.03752	3.8
136.01675	1.9
143.03517	1.5
144.08221	1.7
146.03706	3.3
146.09760	8.9
147.04520	4.2
148.05328	5.1
149.06102	5.3
151.04086	1.6
152.44086	1.2
161.04590	1.5
163.03963	1.6
164.04779	2.0
165.05505	1.9
173.04474	2.0
175.04056	3.9
176.04829	2.3
177.05556	1.4
179.05539	1.7
179.07077	1.7
190.08783	5.9
191.05634	3.0
193.04865	1.3
205.03551	1.2
208.09741	3.1
209.04669	2.3
223.04666	1.2
224.04994	1.5
235.06123	12.3
247.06107	5.1
265.07202	12.9
325.09378	3.7
335.13477	1.9
370.15100	100.0
371.09937	19.5
371.15417	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	370.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29186	57.0
58.18817	57.2
71.28149	99.1
73.36514	75.1
161.88879	76.6
163.11346	100.0
177.09209	70.6
196.91623	69.2
353.21371	78.9
370.21289	89.9
373.60736	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0412
Annotation	Norstictic acid
Peak:m/z	Relative Intensity
59.01371	1.2
61.05935	0.3
63.02414	0.7
63.71563	0.3
65.00330	4.2
69.10439	0.7
69.10840	2.7
73.02928	0.4
73.83648	0.4
74.31932	0.4
80.79990	0.7
83.01385	1.6
85.02976	0.6
85.41243	0.3
89.02462	0.5
89.62206	0.4
96.86317	0.4
101.02480	0.7
107.01407	5.4
124.01652	0.8
125.02496	1.7
132.02184	2.0
133.02960	1.5
134.03680	0.3
148.01711	0.4
151.00389	15.2
152.00711	0.8
157.62018	0.4
159.00865	0.7
161.02496	0.8
164.01247	0.5
174.03238	0.6
176.01164	2.9
177.01921	1.0
183.04451	0.9
187.04037	0.5
191.03499	2.0
192.03784	0.4
199.04033	2.2
200.04773	1.2
200.24142	0.4
202.99881	0.5
211.04094	2.2
212.04764	0.7
213.01968	0.5
215.03633	0.4
219.03036	4.0
227.03499	5.9
228.04263	1.8
239.03432	1.8
240.04225	1.0
243.03038	2.6
244.03731	0.4
255.03017	5.0
256.03778	18.9
257.04086	1.9
267.03030	1.6
283.02505	8.5
284.03293	49.8
285.03656	5.3
295.02509	0.5
311.02087	3.9
312.02499	0.7
327.19415	0.7
343.04602	3.6
344.05048	0.5
371.04120	100.0
372.04465	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	371.0413
Annotation	Repenol
Peak:m/z	Relative Intensity
53.73797	2.5
57.88552	2.4
59.01375	3.6
61.98864	2.6
65.00349	6.8
70.01799	7.5
89.00336	8.5
102.25614	2.6
126.05531	2.9
130.85289	2.6
131.01419	6.5
133.02959	16.5
145.64706	2.5
175.00343	6.8
176.98314	11.9
183.04507	3.6
199.03981	2.6
201.01924	11.7
211.04004	5.4
223.03925	2.8
239.03499	3.3
243.02998	9.4
255.03000	4.6
267.03079	3.7
271.24899	2.6
278.46698	2.8
283.02591	3.7
284.03287	17.7
295.36899	2.9
299.05707	10.3
311.02008	95.1
312.02255	11.7
343.04550	6.8
371.04111	100.0
372.04346	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	371.0987
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01877	1.1
57.03447	2.8
59.01381	16.8
63.19118	0.8
63.41809	0.7
69.34559	6.6
71.01391	17.1
72.99324	6.5
73.02950	2.7
75.00877	19.3
83.01398	1.1
85.02960	24.0
87.00883	7.8
88.91896	1.0
89.02464	5.3
93.03439	1.0
95.01400	6.1
98.21764	1.4
99.00903	9.8
101.02454	2.0
103.00365	3.2
111.00869	1.1
113.02463	28.6
114.02814	1.3
115.00373	2.1
115.03972	0.9
117.01950	3.5
121.02968	100.0
122.03317	5.1
129.01944	1.9
130.34546	0.8
133.01552	0.9
151.37883	1.0
156.12662	0.9
175.02480	3.2
184.45915	0.9
193.03537	2.1
211.42542	0.8
231.05162	3.4
249.06169	25.5
250.06474	0.9
353.08737	2.3
371.09836	57.7
372.10208	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	371.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.0
59.01384	17.6
61.40418	1.0
67.01868	1.2
68.99801	1.7
69.03448	1.0
69.15550	1.0
69.24635	3.7
69.25063	4.2
71.01388	17.1
72.99300	4.3
73.02924	2.6
75.00883	20.6
85.02959	21.4
87.00904	5.7
89.02440	4.4
89.87782	1.1
91.04017	1.4
93.03476	1.8
95.01401	5.9
98.22680	1.9
99.00897	9.5
103.00357	3.0
107.97761	1.0
111.00919	1.3
113.02466	29.4
115.00371	2.9
117.01938	4.4
121.02972	100.0
122.00066	1.1
122.03342	5.0
129.01939	1.3
133.26794	1.0
157.01413	1.6
163.30153	1.0
175.02466	5.1
189.04088	1.8
231.05063	7.2
232.72211	1.0
249.06186	95.1
250.06548	5.2
251.07193	1.1
257.79605	1.0
311.07632	1.6
353.08774	2.0
371.09863	56.5
372.10117	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	371.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.3
59.01402	3.4
64.59930	0.7
67.01879	2.7
69.03428	0.7
70.68240	1.5
71.01386	2.8
72.99297	2.4
73.02959	1.0
80.89268	0.6
83.05040	1.6
84.13016	0.7
85.02959	8.5
87.00889	6.0
89.02466	1.1
93.03465	17.2
101.02468	1.1
109.02961	2.4
111.04543	3.2
112.04826	0.6
113.02486	1.0
122.03751	1.3
123.04549	2.9
127.04009	1.8
134.03775	1.0
135.04544	58.2
136.04895	2.8
137.02434	2.8
137.06113	0.7
147.04532	1.2
151.04057	0.7
153.05576	1.4
155.03520	2.4
159.01097	0.6
161.02470	2.4
165.05615	0.8
167.03516	1.1
173.04568	28.3
174.04868	1.2
174.69615	0.7
179.03485	4.7
191.05634	100.0
192.05936	3.5
197.04581	5.1
206.04732	0.8
209.04623	0.8
227.01445	0.7
235.06218	1.1
249.06256	0.8
341.08734	1.8
353.08759	3.4
371.09656	19.3
372.10025	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	371.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
59.01135	0.5
59.01387	5.8
67.01891	0.4
69.03461	13.5
71.01395	1.1
71.27660	0.4
72.99319	0.4
73.02957	0.6
74.99092	0.5
79.01897	8.9
81.03460	0.6
81.19000	0.4
83.01400	0.6
85.02952	1.6
93.03477	0.5
95.01386	2.2
97.02969	7.6
97.03584	0.5
101.02460	1.5
102.98603	0.8
103.16915	0.4
107.01405	25.0
108.01664	0.7
113.02479	0.8
118.98119	0.6
121.02972	1.6
123.00912	3.9
125.02466	16.0
126.02785	0.6
127.00406	0.4
128.03400	0.4
129.01965	0.5
133.02985	0.9
135.00909	16.3
135.03043	0.5
135.04482	0.6
136.01671	0.7
136.99130	0.7
137.02470	0.5
149.02516	0.8
150.03108	0.5
151.00380	20.8
152.00729	0.8
153.01964	0.4
163.04022	1.4
165.01915	0.4
166.02734	100.0
167.03502	23.9
168.03886	1.0
177.01942	2.4
191.05716	0.5
206.76959	0.4
209.04578	2.8
333.48172	0.4
339.07324	0.9
371.09793	6.7
371.17334	1.0
372.10370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
57.07153	0.4
59.01385	5.9
64.09256	0.4
65.00322	1.3
65.03956	0.4
69.03473	0.4
71.01402	2.3
73.02976	0.8
74.99111	0.5
79.01895	0.4
79.53377	0.4
83.01403	0.9
85.02956	1.0
89.02469	1.5
90.31648	0.3
91.01904	32.4
92.02246	1.1
101.02459	2.2
113.02484	1.0
115.30244	0.3
119.03501	0.6
121.03004	0.5
127.00408	0.9
134.03815	0.5
135.00899	31.7
136.01189	1.2
152.01184	0.6
162.45692	0.4
165.09276	0.4
167.03511	100.0
168.03839	5.8
225.14964	0.7
339.55035	0.4
371.09781	0.9
371.20892	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	24.3
59.01378	100.0
61.98837	75.2
70.63389	53.1
71.01379	67.6
73.02977	22.9
73.04088	32.8
74.02480	50.4
81.03375	22.4
85.02972	21.5
87.00892	50.6
92.00693	21.3
96.00944	34.7
99.92635	25.0
101.02463	43.5
113.03551	37.1
134.03662	31.5
136.01630	22.2
156.11526	21.6
165.28139	24.0
166.05103	25.6
168.12000	22.4
173.87456	25.0
193.05009	49.0
209.04607	32.4
225.05110	26.9
327.16721	29.5
335.13342	53.9
343.38846	25.5
362.29785	24.5
371.10980	71.4
371.23032	27.8
372.18948	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93358	2.7
59.01370	11.0
63.03907	2.6
69.08813	9.4
69.09227	14.3
71.01379	4.3
73.02949	3.4
85.02953	12.0
87.00897	19.8
89.02448	6.9
93.03462	9.5
94.81448	2.8
101.02455	4.9
111.04589	3.9
114.50574	2.8
134.03783	3.1
135.04541	25.8
137.63396	2.9
144.36201	2.6
151.04012	4.4
151.77780	2.7
173.04605	16.4
191.05627	100.0
192.05911	4.1
209.04588	4.1
235.06122	3.7
246.09171	3.5
249.06085	3.7
326.40057	3.1
357.76367	2.9
371.09717	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.7
69.47173	97.0
71.01357	18.2
85.02946	38.0
87.00860	20.9
89.02448	24.4
90.40944	15.0
91.79699	16.7
98.63468	16.3
191.05614	100.0
220.13951	17.7
232.99455	17.8
317.47504	19.3
349.15448	19.7
371.11673	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1353
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
54.48048	0.9
55.01883	1.6
57.03446	1.7
58.00608	1.6
59.01387	100.0
68.16679	1.0
68.49007	1.0
69.21365	8.0
70.96601	1.0
71.01391	29.1
72.59265	1.0
72.99304	2.3
73.02963	1.9
73.04092	1.2
74.99103	3.1
83.01403	1.6
85.02969	5.7
87.00889	2.0
89.02458	30.6
95.01424	1.1
101.02454	18.8
101.07268	1.4
102.27662	0.9
113.02472	11.9
118.97968	1.0
119.03520	16.8
121.02968	2.1
127.05148	1.3
130.08763	18.8
136.11342	1.5
136.99173	1.9
140.07195	2.6
143.03511	1.8
145.06213	1.8
149.04546	1.0
161.04594	1.8
167.70903	1.0
179.05653	1.8
180.10335	9.8
197.12949	3.0
199.18155	3.1
209.11847	1.2
210.32526	0.9
223.11006	2.7
224.09355	1.5
241.11853	2.8
243.17197	2.3
278.60504	0.9
310.21490	1.7
354.20325	8.1
364.45926	1.0
371.13513	40.1
371.23175	1.7
372.14090	5.8
372.21320	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	371.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	8.1
57.03457	8.2
58.00600	1.9
58.24665	0.6
59.01388	46.8
62.88753	0.5
67.01890	0.7
68.99926	5.9
69.03460	1.4
69.70119	0.7
71.01392	100.0
72.01729	1.2
72.99322	4.3
73.02954	30.3
74.03306	0.6
74.35073	0.6
75.00888	1.5
83.01398	15.7
84.02190	1.0
85.02962	45.8
86.00115	1.1
87.00893	4.8
89.02460	23.1
95.01407	7.0
97.02972	2.6
98.22595	1.5
99.00894	13.3
101.02459	76.8
102.02803	2.2
111.00917	2.1
113.02468	39.8
113.80758	0.6
114.02812	1.4
119.03507	8.7
123.08172	0.7
125.02421	2.0
129.01965	2.3
137.09775	1.0
143.03532	3.8
149.09821	0.7
159.03023	8.9
161.04573	41.9
162.04915	1.4
179.05632	1.3
205.03494	2.6
209.08247	1.4
209.15486	10.4
210.15929	0.7
229.01073	0.7
241.65794	0.6
326.08133	0.7
351.96826	0.7
356.09171	1.1
371.10785	1.4
371.20743	29.5
372.21109	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	371.219
Annotation	TMC-96
Peak:m/z	Relative Intensity
56.14695	0.5
59.01375	2.4
71.01374	1.2
71.26402	0.6
75.00876	0.8
81.03464	13.8
81.04204	0.7
83.05035	50.3
84.05370	1.1
85.02957	1.1
87.00922	0.9
91.01950	0.8
100.07697	13.0
101.02429	1.2
104.59032	0.6
112.69752	0.7
113.02392	0.6
120.99665	0.9
121.02972	2.6
122.70930	0.5
123.04562	0.7
126.05622	1.3
130.08771	3.7
141.35858	0.6
167.03477	3.4
172.05338	1.8
180.10330	0.9
182.02138	0.7
182.15480	1.1
187.07693	1.1
191.05640	0.8
197.04684	0.7
199.18192	10.1
222.01657	0.8
225.16118	12.1
226.16501	0.9
233.69519	0.6
243.17154	32.5
244.17473	1.4
249.06232	0.9
269.15100	2.3
298.99506	0.7
307.00690	0.7
309.21817	1.0
327.09766	0.8
327.22806	1.0
353.20831	7.9
354.20889	1.8
371.21896	100.0
372.22101	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	372.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31211	1.4
51.17252	1.5
57.03453	3.4
59.01389	14.3
61.98847	3.9
68.99832	2.6
69.03481	1.7
70.84158	2.8
71.01391	16.6
72.99326	5.9
73.02985	2.4
75.00887	17.8
83.01418	2.2
85.02970	13.7
86.03215	1.3
87.00905	4.9
89.02478	6.3
93.03507	2.0
94.60663	1.5
95.01414	4.4
96.00984	1.6
99.00900	8.0
99.27045	1.4
102.63968	1.5
103.00405	2.1
109.66135	1.5
113.02467	20.5
117.01998	2.6
122.02508	66.8
123.02884	1.5
128.03493	1.9
130.08783	4.7
131.25925	1.4
139.00441	1.5
147.04562	1.9
151.03937	2.0
153.01981	6.6
157.01585	1.9
168.04306	3.2
169.05107	2.4
173.04604	2.2
175.02560	2.3
188.96812	1.3
189.04010	1.4
191.05608	1.6
193.05103	2.8
211.06119	3.2
231.05167	4.5
249.06201	100.0
250.06535	5.9
268.34100	1.4
372.09485	22.5
372.19113	4.4
373.11301	2.7
373.21759	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	372.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98842	20.3
69.38869	45.4
69.39284	19.8
71.01402	53.7
71.33255	10.1
73.02958	16.2
76.90501	10.0
80.05090	9.7
83.01421	12.4
84.04562	14.3
85.02952	28.4
87.00881	14.8
89.02467	40.0
93.03459	17.6
101.02477	19.6
102.02840	13.6
102.05618	35.0
113.02493	12.9
116.07207	18.5
119.03529	18.3
122.06163	21.3
128.03564	54.3
130.08760	15.9
133.83572	10.1
136.01678	13.4
137.02489	28.5
143.11816	12.2
146.04675	15.3
148.04099	24.6
152.04771	11.7
166.02831	30.4
166.05084	21.7
171.15120	10.5
181.05116	20.0
191.05630	12.0
196.03796	14.4
211.06114	44.4
217.42401	10.1
243.17162	24.9
310.14154	10.6
328.22263	14.7
329.18542	22.0
337.15140	18.2
372.09247	12.7
372.14240	17.4
372.21680	35.6
373.11298	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	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05806	1.0
50.44486	1.2
51.14440	1.3
52.31576	1.2
59.01388	6.9
70.88105	1.9
70.88454	2.7
71.01385	3.2
82.06627	3.5
84.04555	16.4
85.02964	6.0
87.00864	2.7
89.02453	2.2
99.92603	2.3
101.02454	1.6
102.05624	50.0
103.64699	1.5
128.03558	100.0
129.03914	1.8
129.10335	15.8
130.08765	20.3
134.03777	1.8
135.04514	1.6
137.02473	3.1
139.08786	5.5
146.04623	24.3
151.03989	1.5
152.04785	1.5
153.01955	2.8
154.12386	2.6
161.02461	2.7
168.99701	2.1
171.15062	12.4
191.05620	24.7
192.06055	2.6
193.05104	1.3
194.05403	1.8
194.91846	1.3
195.15045	4.3
197.16640	7.7
199.18204	5.7
211.06157	3.6
215.14079	1.9
216.98222	5.6
223.10881	12.1
225.16130	19.7
226.16508	1.9
234.99257	2.3
242.09386	1.3
242.18729	5.3
243.17128	40.6
244.17493	3.0
248.97166	2.7
256.03458	1.2
284.23578	4.0
304.99500	1.6
328.22455	15.9
343.19556	1.6
372.21445	72.2
373.00269	1.9
373.11661	2.4
373.21634	9.1
391.03583	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	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40510	1.1
58.36965	1.1
59.01379	6.2
68.05054	1.4
71.01382	5.9
71.26721	1.9
82.02997	2.7
87.00904	1.7
87.05676	1.2
95.03802	1.2
95.25378	1.0
98.02433	1.3
98.76096	1.2
100.04049	6.4
101.07236	6.6
120.99665	1.4
121.02996	5.9
122.03320	2.4
123.03246	3.6
124.01636	1.7
127.05142	7.0
128.03528	5.4
130.08762	100.0
131.09053	5.1
133.01213	1.2
133.02985	2.6
134.03743	1.8
136.11331	4.1
140.07201	12.5
141.10306	2.6
143.11876	1.4
145.06239	9.0
146.03720	3.2
149.02383	1.8
149.06065	2.5
151.03990	6.9
151.30826	1.4
152.10767	1.9
153.01982	1.9
161.06053	2.9
162.03221	9.2
163.03976	4.1
164.04839	5.7
165.05595	1.6
167.11943	1.2
168.09093	1.7
169.09879	2.7
175.04088	1.8
177.05545	3.2
178.02798	1.6
179.03540	11.9
179.07137	13.8
179.11880	2.4
180.04326	12.6
180.10320	48.7
181.10626	2.7
194.05867	5.9
195.06624	14.5
197.12952	10.4
199.18188	16.5
207.06593	1.6
209.16698	2.3
223.10907	10.5
224.09322	6.6
224.11151	1.2
241.11955	11.8
243.17166	9.2
249.06161	2.1
249.19562	1.6
250.06448	2.6
253.14441	1.3
278.47174	1.5
284.23489	1.7
285.11380	7.1
295.06046	2.4
310.21423	5.0
325.10690	2.9
354.20367	27.2
355.11853	1.3
355.20773	2.0
372.10092	4.3
372.21402	94.8
373.13062	2.4
373.21942	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	372.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21904	0.9
58.02991	1.0
59.01388	5.7
63.46023	1.1
66.03500	1.6
67.01899	1.6
69.22655	7.8
71.01371	3.0
75.86671	0.9
82.02974	3.3
82.06624	5.0
84.04567	1.7
98.21764	1.8
100.04050	7.2
100.65456	1.1
101.07216	7.6
102.05627	1.0
107.02492	1.1
109.04105	2.4
110.02430	1.6
112.04070	2.4
114.09216	1.7
123.03284	2.8
125.03472	1.1
126.09290	1.1
127.05170	7.1
128.03564	4.2
129.10309	2.4
130.08759	100.0
131.09103	4.1
136.11290	3.7
140.07216	12.0
141.10353	2.4
145.06218	7.8
146.04614	2.2
152.10834	2.8
153.16698	1.0
160.40994	1.0
165.07993	1.5
169.13463	1.6
171.15112	1.5
179.11909	2.8
180.10320	50.2
181.10670	2.7
182.15500	2.4
197.12981	15.2
199.18175	18.5
200.18440	1.4
209.16577	2.7
223.10861	16.2
224.09277	6.2
224.11320	2.2
241.11935	12.1
243.17236	7.1
257.52859	0.9
279.88434	1.1
284.23389	2.0
292.20081	1.1
310.21466	6.5
351.81961	1.0
354.20398	42.7
355.20639	3.7
372.21426	78.0
373.21735	9.8
397.38699	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42381	22.7
56.47998	22.3
59.91769	24.7
65.32256	27.6
69.65179	54.2
69.65588	100.0
75.97960	23.5
105.28509	26.8
186.06227	25.7
201.86304	24.7
251.93137	24.4
297.43042	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	373.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.2
58.47575	1.6
59.01376	3.0
65.00330	7.7
69.16000	2.8
69.16409	10.7
77.23342	1.6
83.01392	6.0
93.03463	1.8
107.01403	10.8
125.02457	51.5
133.02960	1.7
134.03711	1.8
140.05107	1.6
151.00380	47.4
152.00798	1.9
159.00877	1.6
160.01643	2.4
161.02463	44.3
162.03125	4.5
163.04004	3.4
165.01926	3.0
169.01424	15.3
175.03987	2.9
177.01900	1.9
182.25479	1.5
185.02446	3.6
189.01949	100.0
190.02287	5.4
193.04991	1.7
194.02208	7.8
203.03499	2.4
204.90675	1.7
219.02957	3.0
221.04552	35.0
223.04063	2.0
227.03445	2.9
239.03450	2.9
240.04292	5.5
247.02466	21.8
251.03590	2.8
255.02937	6.8
256.03455	2.0
267.02844	4.3
268.03616	4.6
269.04443	2.2
273.03995	5.1
279.03033	4.2
295.02521	15.9
296.03287	43.5
297.03784	7.8
323.01981	14.3
324.02185	2.4
341.03043	28.8
342.03455	2.3
355.04614	61.9
356.04865	5.7
373.05560	9.5
373.26007	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	373.1145
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
54.15213	0.6
55.59386	0.6
59.01386	3.6
61.98826	1.2
69.37769	4.1
71.01403	1.0
72.99319	8.6
73.02952	0.6
77.56459	0.6
82.00591	0.7
85.02953	1.3
88.04063	0.9
91.06013	0.6
101.02458	0.6
110.00108	8.9
113.02477	2.4
114.05637	1.2
125.02453	6.5
134.03745	10.1
137.02457	1.5
137.06079	1.4
137.99602	9.4
139.00407	7.1
149.06125	1.5
150.03232	4.2
152.01189	1.9
153.01959	100.0
154.02744	9.1
155.03452	0.8
165.05537	1.1
166.02769	1.6
167.03508	6.1
168.04301	45.5
169.05066	17.9
178.02757	2.7
179.03384	0.7
181.05103	1.3
193.05069	11.4
194.05370	0.8
196.03842	1.6
197.65376	0.6
211.06139	24.1
212.06458	1.2
259.10895	0.8
262.19168	0.6
353.70996	0.5
373.11429	13.5
374.11774	1.8
374.17148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
69.14068	3.8
71.01373	2.2
72.99308	0.5
73.02954	0.8
73.04074	0.9
74.02480	1.3
83.01393	0.5
85.02955	1.8
87.00865	0.4
88.04023	0.5
89.02467	1.3
95.24833	0.4
100.42635	0.5
101.02461	1.0
101.27567	0.4
102.83570	0.4
104.03544	0.9
108.02222	0.4
110.00118	8.7
111.00867	1.4
113.02477	1.6
113.28879	0.4
115.00394	0.5
115.08782	0.5
122.03780	0.5
122.30283	0.4
123.00868	0.7
125.02471	6.4
127.93098	0.4
129.10320	0.9
130.08789	0.8
133.02943	0.5
136.01656	1.2
137.02466	0.9
137.99605	10.1
138.03265	0.6
139.00403	12.3
141.01932	0.4
141.10387	0.5
145.25800	0.5
151.03972	2.0
152.01164	1.3
152.04823	1.2
153.01959	100.0
154.02759	11.3
155.03284	0.5
155.12004	0.6
159.57175	0.4
161.04527	0.5
166.02747	0.9
167.03505	4.5
168.04301	44.5
168.11472	1.1
169.01466	0.8
169.05089	26.6
170.05493	1.2
177.02011	0.4
178.02750	0.5
179.03503	0.6
186.12563	0.9
193.05067	1.0
196.03770	1.5
202.08022	0.4
210.12561	1.6
211.06213	3.3
211.09761	3.2
228.13544	0.7
258.14606	0.6
259.13058	0.6
265.27740	0.5
311.21017	0.8
313.09476	0.5
343.19937	1.2
373.07480	0.7
373.11716	2.4
373.15887	0.6
373.20847	2.1
374.15805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86930	1.1
59.01385	100.0
60.01709	1.8
65.33398	1.0
70.39787	3.2
71.01400	6.2
73.02947	2.1
74.99110	1.4
75.00904	1.3
83.04996	1.3
85.02963	2.4
88.36377	1.1
89.02435	1.2
91.01886	1.8
93.03474	2.7
101.02448	2.2
113.02460	2.2
119.03556	1.5
121.02969	6.8
123.02741	1.3
130.08778	2.5
133.94508	1.0
136.94637	1.0
136.99162	1.8
137.02478	3.6
151.04027	46.1
152.04349	2.3
153.01967	1.3
161.04594	3.5
180.10231	1.3
373.18726	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	373.1145
Annotation	5-Deoxyeustomoside
Peak:m/z	Relative Intensity
54.20505	0.7
56.35081	0.6
59.01393	7.0
61.62846	0.6
61.98839	3.7
69.51123	3.1
71.01376	2.6
72.99316	10.2
83.01412	0.9
83.26080	0.6
85.02966	2.2
85.50701	0.6
88.04053	1.5
99.00901	0.8
101.75647	0.7
110.00110	8.9
111.00851	0.8
113.02483	2.2
114.05603	2.2
121.02983	1.1
123.00858	0.9
124.01670	1.4
125.02452	6.2
128.03554	1.5
134.03755	15.0
135.04434	0.8
136.01659	1.1
137.02504	1.7
137.06088	0.9
137.99606	9.6
139.00435	6.2
140.01143	1.0
149.06081	2.0
150.03207	4.5
151.03984	1.2
152.01149	2.0
153.01958	100.0
154.02728	8.1
155.03540	1.7
163.57356	0.7
165.05559	1.1
166.02757	1.6
167.03514	7.6
167.06834	0.7
168.04300	47.9
169.05092	18.9
169.90390	0.7
170.05444	1.1
172.34824	0.7
178.02708	3.4
179.85663	0.7
181.05107	0.9
193.03357	1.1
193.05081	17.7
193.71422	0.8
194.05504	0.9
196.03880	1.0
200.96869	0.7
211.06142	27.2
212.06445	1.5
218.10423	1.4
241.11989	1.7
373.06821	1.4
373.11441	19.0
374.11896	2.3
374.17310	1.9
390.71097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01858	1.3
57.03434	2.5
58.61177	1.1
59.01390	20.3
62.38394	1.1
67.01889	2.7
69.76225	1.1
71.01040	1.2
71.01389	13.9
71.28593	1.5
72.99276	1.4
73.02942	1.3
83.01408	5.6
85.02940	5.8
87.00893	1.1
89.02452	7.3
95.01390	3.8
101.02444	4.8
107.01383	2.7
108.02185	10.4
109.02980	14.2
111.00876	4.9
113.02425	6.6
119.03506	3.4
121.02946	3.2
123.00900	18.8
123.04509	4.8
124.01693	13.0
125.02464	1.7
135.00917	1.5
136.01669	3.5
137.02434	2.5
139.00325	1.5
143.03572	1.4
145.02975	1.9
146.03673	1.7
147.04532	20.5
148.05190	1.2
150.03226	1.4
151.03963	4.4
159.04507	4.1
161.02434	3.0
161.04543	1.8
162.03308	5.7
163.02737	2.6
163.04013	31.0
164.04440	2.2
173.02409	5.3
174.03242	6.8
175.03964	4.8
177.05606	10.7
179.03523	2.2
187.03973	1.8
188.04829	12.5
189.05495	2.7
191.07121	1.3
193.05046	2.9
203.03461	1.6
205.04912	1.3
207.06660	1.7
229.18079	4.3
283.06058	2.1
295.06128	3.8
297.07602	1.3
298.08490	24.2
299.08737	2.2
309.07611	2.0
310.08490	5.2
313.10825	98.0
314.11157	10.5
325.10815	5.5
343.08264	2.4
343.11877	26.5
344.12204	3.7
357.09702	1.4
358.10602	13.4
359.10907	2.2
373.12943	100.0
373.22491	8.3
374.13266	13.7
394.52667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26149	4.3
58.49496	4.0
59.01382	30.4
88.33742	5.0
94.60909	4.1
102.44197	5.2
121.02967	11.5
122.03723	5.9
130.08763	20.1
131.05002	5.1
131.09106	8.5
134.03775	8.2
149.02438	24.7
150.03236	78.8
150.14525	4.4
162.03235	100.0
162.51109	4.6
163.03957	7.0
165.05594	77.5
177.05586	71.5
180.04359	5.9
195.06650	25.3
209.70168	4.8
219.05223	5.2
257.20627	7.2
278.05930	8.1
281.08273	4.7
293.08334	9.8
295.06247	5.6
310.08286	9.0
325.10864	10.4
343.20789	16.2
343.68384	4.6
373.12924	12.3
373.21942	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	373.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28215	1.0
56.26543	1.1
57.03456	6.3
59.01384	85.4
59.07583	0.9
60.01709	1.2
62.23348	1.1
71.01374	3.1
71.05019	1.4
77.48937	0.9
83.01398	1.7
83.05028	10.8
85.02964	3.1
87.00877	7.9
97.06604	2.5
101.02443	1.6
105.01947	20.3
109.06630	1.5
111.00894	4.3
111.04548	14.4
111.08186	2.4
113.02436	1.5
123.08170	5.0
129.01945	3.3
139.11258	6.3
147.03027	3.0
163.11302	8.1
165.09242	7.1
181.12338	8.1
183.10329	5.6
189.65666	1.1
197.11804	5.7
199.13406	2.0
207.10306	4.0
223.13405	10.4
225.11349	45.8
226.11679	2.7
241.14542	2.0
243.12413	10.4
243.33623	1.1
267.12436	2.5
285.13467	100.0
286.13834	7.5
310.68481	1.2
373.15079	62.9
374.15451	9.6
389.88351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.35210	0.7
58.50333	0.8
59.01387	100.0
60.01728	1.5
69.33575	4.7
69.33978	1.6
71.01389	3.1
73.02955	1.4
74.02486	0.9
79.65298	0.8
85.02978	1.3
89.02493	3.0
96.00975	0.9
97.29147	0.8
98.21786	0.9
98.22349	2.1
101.02475	2.4
106.85983	0.8
113.02482	2.3
122.06139	2.3
131.03513	0.8
132.04572	14.9
132.05508	1.2
152.07196	4.8
163.04124	1.1
164.07219	3.7
203.08344	0.8
297.12338	3.9
329.15100	3.7
357.14594	1.7
363.52203	0.8
373.13782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26229	0.8
59.01384	100.0
60.01722	1.5
68.98436	7.6
71.01391	7.7
73.02956	3.5
83.01413	1.6
85.02972	1.4
89.02477	3.4
101.02454	4.4
105.11578	0.7
108.04515	1.0
113.02480	3.7
119.03545	1.9
120.26286	0.8
122.06194	1.0
129.23872	0.8
132.04579	1.8
152.07262	2.3
166.02650	0.7
272.29407	0.7
297.12384	1.0
310.44550	0.7
341.11652	3.1
342.41144	0.8
373.13339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87871	0.6
57.03446	1.7
59.01384	100.0
60.01725	1.2
71.01388	6.4
71.14425	0.6
71.27847	0.6
72.99305	1.3
73.02962	2.1
75.00890	0.6
83.01408	1.6
85.02943	2.5
87.00899	2.0
89.02484	2.0
94.74386	0.5
99.00915	1.1
101.02476	2.9
111.00903	4.0
113.02489	2.0
119.03577	0.7
120.99676	0.6
129.01956	3.7
132.04590	0.8
134.88968	0.6
139.11342	4.3
147.03069	1.2
161.04616	1.0
181.12340	4.1
183.10287	5.8
191.07076	0.6
199.13461	1.3
207.13940	0.6
225.11348	5.4
227.13036	0.8
243.09978	1.0
243.12346	7.5
243.14557	0.6
244.12895	0.9
285.13675	1.1
311.14981	0.6
313.10861	0.6
331.17862	1.3
373.15048	9.2
373.18820	0.9
374.15546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39404	4.5
57.92273	4.5
59.01095	6.5
59.01386	100.0
62.14416	5.1
69.30564	24.6
69.30965	8.7
71.01391	6.1
79.77905	4.7
100.39866	4.8
128.03627	6.8
135.04524	7.9
137.99608	6.9
152.01225	6.1
153.01955	87.6
153.05566	23.6
161.04587	11.6
168.04288	40.5
169.05054	24.9
174.99234	16.7
201.01735	6.7
217.00317	82.3
262.90335	6.9
307.16998	5.5
331.10315	27.0
372.92407	5.1
375.07037	8.8
382.78406	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	374.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	58.5
61.98829	15.5
63.56680	3.5
63.71424	3.3
66.03499	5.9
67.38367	3.6
70.28840	12.3
71.01412	5.9
82.02997	8.9
82.76402	3.6
110.02493	43.6
111.02056	19.5
118.38985	3.5
128.03508	4.6
130.08772	73.6
140.03595	6.4
140.83844	3.6
150.03282	7.3
152.03551	9.8
153.03110	5.8
165.05626	7.6
174.99255	22.8
200.05661	19.8
217.00357	100.0
218.07146	6.7
232.08696	4.7
242.80569	3.6
243.06281	87.0
244.06676	3.8
246.06580	4.9
373.84323	4.4
374.16193	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	374.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
71.01398	18.5
73.88733	15.7
76.48462	16.2
85.58884	14.7
115.96408	19.1
156.65324	16.9
234.80211	18.9
375.27539	68.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16089	11.7
59.01378	98.2
69.41421	86.0
71.01380	39.8
74.02480	37.4
89.02448	16.9
93.03474	35.5
98.21871	20.3
104.03578	23.4
113.01021	12.1
133.02998	19.7
135.04559	87.0
143.07202	20.9
153.01967	17.0
153.85431	13.2
173.04567	86.5
176.04095	65.3
179.03523	100.0
217.00282	21.8
300.80011	15.2
312.11029	16.0
374.18121	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	374.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
69.11017	0.6
69.11422	2.9
73.93105	0.4
101.06102	1.2
124.07700	0.4
174.99310	0.7
189.10365	0.8
217.00320	2.8
232.10936	10.9
233.11324	0.9
289.18051	1.5
290.18848	2.8
316.16702	1.5
331.15161	0.6
358.21182	1.0
374.24524	100.0
374.93771	0.4
375.24911	14.8
375.29645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	68.3
60.01706	0.8
90.97135	1.0
100.62924	0.4
118.96661	0.6
121.12414	0.4
132.98213	2.5
174.99265	25.1
175.99608	0.6
188.55536	0.4
200.12219	0.5
201.02568	1.8
207.97783	0.5
217.00330	100.0
218.00655	3.8
257.72928	0.5
374.99316	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	374.9926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68163	0.4
58.05003	0.4
59.01383	67.9
60.01722	1.0
64.47919	0.4
69.22302	3.4
71.01392	2.1
87.00836	0.5
89.02461	1.7
90.97169	1.9
94.18632	0.4
95.11565	0.4
98.22571	0.8
101.02469	0.8
104.94533	0.4
106.06686	0.4
111.02058	0.6
113.02470	0.8
118.96666	0.9
119.03477	0.6
130.08771	0.7
132.98227	2.6
134.06129	0.5
143.99681	0.5
145.02951	0.8
149.02477	0.5
160.97816	0.5
161.02481	0.8
162.03220	1.3
165.05614	0.5
174.99255	24.8
175.99596	0.7
177.05527	0.6
195.06653	1.0
196.06171	1.0
214.07202	0.7
217.00314	100.0
218.00641	3.2
257.73026	0.5
332.98279	0.8
374.99231	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	375.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.2
60.99303	7.6
69.36674	25.9
69.37098	28.6
73.13692	7.5
78.31226	7.5
88.98825	82.6
133.02937	7.5
139.19290	8.5
140.17717	7.4
147.95438	6.9
167.69077	7.0
217.00354	10.1
222.92581	71.3
285.04044	57.6
329.24918	7.4
357.23529	8.0
374.93716	100.0
375.93958	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	375.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74460	0.4
55.01859	0.5
57.03458	0.6
59.01390	4.2
59.84644	0.5
64.61058	0.4
67.01894	0.7
69.03472	0.5
71.01387	1.7
71.12122	0.6
75.00899	0.6
81.03481	1.2
85.02954	2.3
87.00882	4.5
89.02434	0.5
93.03477	4.6
93.53442	0.4
99.00841	0.6
101.02467	0.7
107.05070	0.7
111.04501	1.1
113.02477	0.9
114.05595	0.7
114.16899	0.5
117.03478	0.9
121.02973	1.5
125.02469	0.9
127.04026	1.1
128.67084	0.5
129.01930	0.9
131.07104	2.3
133.02971	12.3
134.03777	16.7
134.04759	1.3
134.20988	0.4
135.04547	66.3
136.04869	3.2
136.98598	2.9
137.02473	2.4
139.04044	1.2
150.03201	0.4
151.00244	0.6
155.03462	1.3
155.98885	0.8
157.05086	3.5
157.40756	0.6
159.04495	0.5
161.02464	31.3
162.02820	1.3
165.05486	0.6
166.99625	1.5
173.04610	1.2
178.02788	1.1
179.03519	38.8
180.03847	1.9
189.01700	10.7
191.05618	7.8
201.01721	27.8
202.02031	1.7
213.03859	0.5
215.03293	1.1
217.00330	1.7
219.01540	0.8
281.04901	0.5
293.12445	3.9
316.45743	0.5
375.07007	100.0
376.03131	0.7
376.07401	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	375.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01722	1.3
69.76105	3.7
71.01396	2.2
109.16167	1.1
135.04567	2.2
138.03235	5.0
153.05602	53.8
154.05919	3.1
161.02567	2.1
161.04601	2.9
174.99266	8.0
179.03575	2.4
217.00304	27.4
218.00589	1.6
305.98761	1.2
374.99500	1.8
375.06934	2.4
389.25797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73230	2.7
57.42791	2.4
59.01094	4.7
59.01381	67.8
70.07039	2.3
71.01377	11.9
71.28564	4.8
72.08754	2.5
72.99304	3.1
73.02940	3.3
76.62740	2.4
82.14798	2.5
85.02942	3.0
89.02452	7.4
93.03497	3.7
101.02483	5.3
102.70432	2.7
105.01949	14.4
113.02455	3.7
121.02972	11.5
122.03734	8.4
146.03764	8.8
149.02457	100.0
150.03249	55.3
159.81996	2.5
162.45813	2.7
164.04828	22.1
165.05582	67.9
179.07080	6.1
195.06656	24.0
203.46977	2.4
209.11864	4.3
227.12901	32.4
269.13962	8.0
287.15042	67.1
288.15320	4.5
312.10104	21.1
327.12399	74.7
328.12891	5.1
375.16733	25.2
376.17099	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	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.5
59.01383	90.9
61.91843	1.7
69.11839	13.1
86.61775	1.9
87.35464	1.8
105.01955	18.4
106.93293	1.9
194.82327	2.1
207.13820	3.3
209.11850	9.9
225.14990	6.3
227.12933	43.0
228.13264	3.4
269.13977	10.5
270.14014	2.3
287.15036	100.0
288.15527	9.6
375.16614	32.9
376.17087	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	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
58.00599	5.8
59.01386	100.0
60.01707	1.4
71.01390	53.7
71.05028	2.8
72.99332	6.5
73.02956	1.8
83.01376	3.0
85.02961	11.7
87.00908	2.9
89.02456	54.5
95.01409	3.1
95.05055	7.4
97.02977	1.5
101.02453	27.1
107.05041	6.3
113.02458	18.3
115.07643	6.6
119.03518	21.5
125.09756	2.1
131.03516	1.4
134.03787	1.6
135.08199	1.9
136.05321	2.1
139.11310	3.9
143.03581	2.3
144.33887	1.2
149.02443	1.4
149.04524	1.6
149.09834	2.0
151.11308	47.9
151.12515	2.7
152.11687	3.3
157.59030	1.2
161.04607	1.3
164.08424	2.2
168.83867	1.6
169.12404	2.0
177.09262	7.7
179.05641	4.0
185.11899	3.6
193.12338	4.5
195.10295	83.0
196.10683	4.2
211.13434	3.2
213.11366	13.0
214.11575	1.5
217.00269	3.3
257.47110	1.3
375.07059	4.0
375.16547	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	375.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23692	0.8
53.66205	0.7
57.03469	0.7
57.22452	0.7
59.01385	82.8
60.01707	1.0
69.04305	4.2
69.04734	3.0
70.06647	0.7
72.17862	0.8
72.99300	1.2
87.00873	0.9
99.04514	3.0
105.01950	21.8
147.03055	2.4
165.12859	1.4
180.80559	1.0
189.12814	0.9
193.85977	0.7
197.45929	0.8
207.13933	2.7
209.11864	8.9
225.14999	5.9
226.60706	0.8
227.12907	44.6
228.13245	3.5
269.13950	12.9
270.14313	0.9
287.15039	100.0
288.15372	7.7
357.15524	1.2
359.43790	0.7
375.16644	39.2
376.17197	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90013	2.3
70.32962	8.7
74.93080	2.6
74.99076	4.0
78.66425	2.7
79.55981	3.1
89.41171	2.5
116.92857	4.5
130.00577	2.3
139.64813	2.8
151.25092	2.8
159.08456	8.2
219.46745	3.1
289.80313	2.4
291.09140	100.0
292.09271	13.0
359.15353	97.4
360.15607	19.3
375.18521	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	375.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84003	2.2
74.99078	2.8
80.61353	0.9
86.28610	0.8
93.00145	1.4
149.00995	1.3
159.08485	12.5
161.06430	5.0
192.98181	0.9
209.01268	3.8
217.07249	1.7
262.40927	0.8
263.31042	0.9
277.07611	2.8
289.07547	2.5
291.09140	97.7
292.09286	12.9
357.13739	2.5
359.15387	100.0
360.15472	19.8
370.12067	1.0
375.18457	6.7
377.16122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32438	0.8
52.62363	0.9
57.03449	1.0
58.56050	1.2
59.01385	100.0
61.37461	0.8
69.45763	3.2
69.46186	2.7
71.01380	3.5
85.02949	1.4
90.76091	0.9
98.22565	2.0
99.00933	1.9
101.02476	2.2
110.08344	0.9
113.02483	2.6
161.04591	2.6
209.49977	1.0
217.00330	1.8
287.14954	1.4
375.27457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.3
59.01385	100.0
60.01711	1.8
71.01396	7.3
71.28065	1.0
73.02934	2.0
83.01445	1.4
83.05025	1.1
85.02953	2.8
89.02455	1.4
89.79552	0.9
101.02459	3.2
105.01938	2.4
113.02453	4.9
119.03526	1.3
158.75211	1.1
161.04630	1.9
177.87029	1.1
183.26633	1.1
225.11269	1.4
227.12918	3.5
285.13370	2.6
287.12109	1.3
287.14935	6.1
333.19287	2.2
375.16830	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01707	0.9
71.01402	4.8
73.02956	1.2
83.01395	1.7
85.02961	2.8
87.00894	0.8
89.02448	2.7
101.02452	3.7
105.01929	1.0
112.49709	0.9
113.02449	2.0
116.10189	0.8
126.23017	0.9
154.54359	0.8
158.10242	0.9
161.04604	1.8
226.34708	0.9
227.12935	4.0
243.12286	1.3
281.64804	0.8
287.12265	1.0
287.15045	5.6
333.19199	1.5
375.18085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10136	0.7
57.03432	1.3
59.01385	100.0
60.06289	0.8
71.01392	8.2
72.99278	1.0
73.02930	2.2
83.01391	1.8
85.02962	3.7
87.49142	0.8
89.02442	1.4
91.79379	0.8
95.01399	1.1
98.22594	2.5
101.02444	3.9
113.02512	4.0
113.03226	0.8
139.11302	1.1
161.04514	1.7
174.65590	0.9
183.10159	0.9
187.40506	0.9
198.24017	0.9
217.00313	0.8
225.11447	1.2
227.12860	2.2
231.19656	1.2
287.15112	4.0
315.11691	1.0
333.19171	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	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	43.7
60.03266	2.4
61.98827	5.7
69.56831	15.4
70.41196	2.1
72.71945	2.2
77.67011	2.9
79.82284	2.9
95.05042	4.8
99.42267	2.2
99.92604	4.9
116.92882	4.9
121.10255	28.5
169.21219	2.1
171.10292	59.8
186.02397	2.5
207.10080	2.9
211.97163	2.2
217.00293	8.6
231.21234	4.3
265.54901	2.4
275.20190	100.0
276.20502	11.6
278.11462	11.5
278.55975	2.6
293.21255	76.5
294.21555	5.6
315.19376	36.5
316.19897	3.4
343.06149	2.2
359.18585	6.1
375.21362	28.8
376.21243	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	376.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30363	17.3
59.01378	90.1
61.98842	20.9
66.25291	14.2
67.74431	14.4
69.56514	100.0
69.94469	15.9
90.88987	16.4
105.02888	16.1
138.10161	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	377.065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68200	0.2
57.03442	0.3
59.01382	4.1
69.19555	0.6
69.19966	1.6
71.01401	1.4
73.02956	1.1
84.58334	0.3
85.02956	0.6
87.00881	0.5
89.02451	0.8
97.06588	0.3
101.02460	0.7
106.39685	0.2
107.05038	0.4
113.02451	0.5
119.03534	0.3
123.04529	0.3
125.06123	0.3
134.03741	1.8
135.04544	100.0
136.04875	4.9
141.09308	0.4
151.04013	1.2
154.08679	0.4
161.04607	0.3
177.01999	0.8
179.03517	6.4
180.03929	0.5
185.08179	0.6
197.11816	0.4
199.09703	0.3
204.69197	0.3
259.11847	1.7
297.09830	5.3
298.09976	0.6
341.08786	15.2
342.09232	1.4
352.81683	0.3
377.06488	1.8
377.14432	1.3
377.21890	0.4
378.06677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	47.7
61.44121	5.7
61.98823	16.6
62.52250	6.2
69.34919	32.8
71.01389	17.8
73.02966	7.5
82.95412	11.7
85.02954	10.4
89.02444	19.4
93.03502	8.4
96.96011	14.3
101.02448	15.8
113.02480	8.1
119.03478	8.1
123.00939	11.7
133.02977	7.7
134.04739	16.5
135.04532	100.0
136.04921	7.2
151.04001	21.3
179.03461	10.4
179.05650	9.7
233.56683	6.7
259.11746	8.9
293.12360	9.4
296.06833	6.1
307.98819	6.5
311.30981	5.6
341.10773	19.1
347.11572	9.2
377.08408	15.0
377.14615	18.4
377.50555	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	377.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	82.4
69.43505	7.2
71.01389	7.1
73.02952	37.5
75.00868	2.9
83.01343	1.5
83.05037	2.6
85.02966	4.1
87.00898	1.6
89.02454	5.1
94.88206	1.4
97.06594	5.8
98.21769	3.0
101.02467	2.0
107.05019	5.3
110.03722	2.1
111.08141	1.5
113.02487	1.6
123.08171	8.4
125.06091	23.9
135.02985	9.8
141.09241	3.0
146.25313	1.8
147.58476	1.5
153.09206	5.1
167.07112	9.1
181.08691	2.7
185.08205	100.0
186.08521	2.5
197.11850	11.8
199.09781	9.2
215.12932	2.4
216.08748	1.3
241.10970	1.4
259.11868	87.1
260.12210	6.7
303.10837	1.7
377.14368	42.3
377.18103	5.3
377.21436	7.6
378.14896	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03451	7.7
59.01387	100.0
60.01755	2.4
69.44203	10.4
71.01386	18.3
72.99331	2.0
73.02956	46.9
74.03269	2.1
75.00887	3.8
76.13990	1.8
83.05045	3.2
85.02946	7.8
87.00897	2.6
89.02463	13.5
95.05067	2.8
97.06602	40.9
99.04548	8.6
101.02477	8.8
113.02453	6.5
117.40654	1.9
119.03533	5.2
121.03001	2.7
123.04652	1.8
123.08165	4.3
125.06094	8.2
135.03023	5.2
137.09738	13.5
141.05603	23.7
141.09219	2.5
142.28088	1.7
149.02473	38.6
150.03290	11.0
155.07138	3.2
159.10384	2.6
161.04572	1.9
163.59700	1.8
164.04752	8.7
165.05614	10.8
167.07141	6.1
179.07097	5.3
179.10870	1.8
181.08710	4.0
185.08221	29.4
191.05656	4.4
195.06645	4.4
197.11826	9.4
198.11473	2.7
199.09787	6.3
215.12897	5.6
230.87798	2.0
232.01073	1.9
241.10829	4.0
257.15155	2.4
259.11902	90.7
259.15311	5.2
260.12250	10.1
283.09930	2.1
297.25626	1.9
314.11697	12.2
328.29285	2.0
329.13928	37.7
330.14346	3.8
369.18948	2.0
377.14432	47.0
377.18268	23.2
377.22153	10.7
378.18744	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	377.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
57.03446	4.7
58.00586	1.8
59.01388	97.3
60.01719	1.5
63.86577	1.1
68.14864	1.1
71.01392	37.5
71.27936	1.2
71.28304	1.2
72.99307	4.4
73.02959	13.3
83.01402	4.4
85.02959	14.6
85.53214	1.4
87.00878	3.4
89.02463	20.6
95.01392	2.6
96.00935	1.1
97.06627	1.6
98.40569	1.2
99.00888	3.4
101.02457	27.5
113.02478	16.0
114.02752	1.3
119.03547	6.6
131.03545	1.3
143.03508	1.5
145.02989	1.7
158.45653	1.2
159.03009	1.7
161.04587	5.1
164.45807	1.2
197.11833	2.1
212.12865	1.1
215.12956	2.6
239.98082	1.2
257.13129	1.6
259.11884	2.5
267.24472	1.1
267.66068	1.5
283.02493	1.8
285.04016	3.5
303.10849	1.4
332.54858	1.2
343.13202	1.4
377.18182	100.0
378.18567	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03456	1.5
59.01093	1.4
59.01384	22.9
59.56806	0.6
71.01040	1.2
71.01395	16.8
72.99315	17.2
73.02941	5.6
74.03245	0.7
75.00858	1.4
83.01392	2.9
85.02965	8.0
87.00874	0.9
89.02452	6.1
95.01398	2.0
99.00894	2.5
101.02454	13.4
111.01010	0.8
113.02456	7.0
116.05068	2.3
119.03495	2.0
149.15193	0.8
161.04604	2.3
166.59244	0.8
174.05554	1.1
197.11836	1.7
215.12898	3.2
217.59239	0.8
223.86070	0.7
227.12816	1.1
303.10901	1.5
359.17349	0.9
377.18204	100.0
378.12100	2.6
378.18506	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	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01722	1.5
69.00966	0.6
69.01270	6.1
71.01398	5.6
73.02954	2.8
83.01388	0.9
84.81662	0.6
85.02962	3.5
101.02451	4.1
103.30283	0.6
111.00935	0.6
112.13683	0.6
113.02505	2.7
130.42593	0.6
135.39557	0.6
143.03603	0.8
159.03030	0.6
161.04616	1.0
167.58401	0.7
266.62415	0.6
289.84445	0.6
335.20709	5.1
335.24234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01386	100.0
60.01725	1.4
64.85137	0.3
65.88132	0.3
68.17751	0.3
71.01386	5.3
71.27940	0.5
73.02957	1.8
83.01414	0.8
85.02969	2.4
87.04556	0.4
89.02476	1.0
93.03446	0.4
95.01418	0.5
95.07148	0.3
99.00928	0.6
101.02458	3.5
112.91376	0.3
113.02468	2.1
159.03056	0.4
161.04584	1.9
161.65263	0.3
185.05888	0.3
276.74084	0.3
317.19968	0.4
335.20773	3.3
336.21188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63999	0.7
58.02986	0.7
59.01387	100.0
60.01730	1.7
60.67621	0.6
69.09238	1.0
69.09629	6.0
71.01386	3.7
71.63336	0.6
73.02958	1.1
74.02473	4.1
76.52169	0.7
81.36269	0.7
85.02991	1.5
101.02501	2.6
107.05042	0.7
113.02478	1.2
116.05191	0.7
127.92070	0.7
129.10400	2.9
130.10748	1.1
145.03072	0.8
161.04535	0.9
171.11516	1.6
190.65630	0.8
210.63719	0.7
243.12227	1.4
255.16606	0.6
259.19211	0.8
335.21014	1.5
377.19150	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03444	1.2
58.00592	0.8
59.01386	100.0
60.01722	0.9
69.03424	0.6
71.01392	18.2
71.05024	0.5
71.27836	0.9
72.99331	0.9
73.02643	0.4
73.02959	5.3
76.04103	0.4
83.01399	3.3
85.02958	8.3
87.00872	0.7
89.02445	3.9
95.01382	1.3
96.96000	0.5
97.02956	0.8
99.00902	2.1
101.02457	12.4
113.02471	6.6
119.03499	1.9
127.11252	0.9
159.02979	1.5
161.04575	8.7
173.15469	1.6
205.03842	0.5
333.52875	0.5
335.20798	13.3
336.21164	1.8
377.28537	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	377.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.9
66.81490	0.8
69.54751	5.8
95.05006	1.3
96.96011	3.2
97.08530	0.8
98.21835	1.5
99.92599	2.4
107.31034	0.8
116.92859	0.9
125.09739	0.9
151.11337	1.8
171.10287	32.5
172.10632	2.3
191.06958	0.9
249.22241	1.0
265.14795	4.2
277.21759	42.2
278.22128	3.8
295.22821	100.0
296.23203	9.3
299.19852	1.5
317.20996	33.3
318.21411	2.8
333.23398	1.4
361.19931	4.4
377.22989	19.1
378.23203	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	379.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78806	1.5
55.01896	1.9
57.03443	4.9
58.00602	3.1
59.01389	66.0
61.98838	1.5
63.15827	1.7
69.03450	2.2
69.90615	3.3
69.91025	4.3
71.01392	79.2
71.05004	6.7
72.99316	11.1
73.02939	3.9
75.00876	26.2
78.43584	1.7
81.03468	2.4
82.96855	1.6
83.01371	3.4
83.04997	1.9
85.02956	36.5
85.06600	7.5
87.00885	13.7
87.04536	2.4
88.04044	6.4
88.06610	1.6
89.02464	21.9
95.01392	8.6
98.02446	1.4
99.00900	15.0
99.04514	5.7
101.02449	15.0
101.06049	1.9
103.00365	4.2
109.75922	1.7
111.04527	2.0
113.02466	48.4
115.00365	4.7
116.07179	2.5
117.01948	4.8
119.03511	10.7
128.07173	2.2
129.01900	2.6
129.05600	90.9
130.05975	3.1
135.04555	9.8
137.09750	1.9
146.08249	52.9
152.52335	1.4
161.04538	5.9
175.02454	4.8
199.09688	4.2
205.07042	2.6
217.14418	6.7
231.05112	5.0
249.06200	37.3
250.06500	1.7
267.07227	16.1
308.13470	6.7
341.10907	3.2
361.11346	3.7
362.14810	2.5
379.12347	100.0
379.16205	10.4
380.15875	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52715	2.4
59.59148	2.2
60.05354	2.1
65.59419	2.5
70.83131	5.8
96.36341	2.5
99.92599	72.6
100.92620	3.8
115.92093	34.0
116.92182	4.4
116.92872	100.0
117.92871	7.6
160.65182	2.6
173.82384	2.5
259.01657	2.3
279.23267	3.9
335.17078	3.2
341.10684	4.4
379.08527	3.5
379.15854	70.6
379.28580	13.9
380.16083	11.4
393.13751	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78439	1.7
52.67746	1.9
53.43382	1.6
59.01389	71.4
69.29466	13.2
71.01389	36.5
72.99310	2.7
73.02959	4.6
73.19898	1.8
74.02483	3.0
78.95915	3.5
83.01382	2.6
83.05034	6.1
85.02946	6.6
87.00892	2.5
89.02454	36.2
95.01389	2.7
101.02454	24.0
113.02476	12.1
119.03506	15.1
127.11289	1.8
131.03505	3.2
131.63887	1.7
137.09695	8.3
145.45837	1.9
149.04541	4.3
155.10788	31.1
161.04762	1.9
179.05583	3.3
179.50772	1.6
181.08728	5.5
199.09789	65.2
200.10170	3.6
201.11400	2.8
217.10887	9.7
247.11916	2.9
261.13440	3.0
304.78314	1.7
379.16150	100.0
380.16370	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
56.07764	0.6
57.03453	2.1
58.00602	5.6
59.01387	98.6
60.01724	1.2
61.61053	0.5
69.03495	1.0
71.01391	70.8
72.01730	1.2
72.99307	4.9
73.02952	12.5
75.00881	0.7
82.68669	0.6
83.01398	3.6
85.02962	12.2
86.00114	1.6
87.00894	10.6
89.02457	100.0
90.02813	1.7
95.01389	1.6
97.02953	1.2
99.00930	3.1
101.02459	43.9
102.02780	0.7
111.00911	1.4
113.02475	14.4
115.04011	1.2
119.03513	10.5
125.02452	2.5
131.03522	42.4
132.03799	1.1
139.55231	0.6
140.22409	0.6
143.03493	1.9
149.04579	60.2
150.04922	1.1
161.04575	2.3
179.05638	4.8
188.07117	0.9
188.12833	0.6
191.05644	18.6
199.09700	1.1
233.06541	1.1
247.11900	1.3
247.95859	0.8
284.86215	0.7
319.17303	0.8
379.16187	10.9
379.23352	1.0
380.16440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01888	2.6
56.88669	0.7
57.03463	1.8
58.00606	3.7
59.01384	100.0
60.01711	1.0
69.15132	6.0
70.96714	0.7
71.01390	66.0
71.50478	0.6
72.01722	1.5
72.99311	4.9
73.02952	11.6
83.01395	4.9
85.02957	12.7
87.00874	6.6
89.02454	96.3
90.02784	2.3
95.01408	1.6
97.02966	1.4
98.21806	1.3
99.00896	1.8
101.02455	41.6
111.00859	1.6
113.02460	17.0
119.03510	11.7
125.02444	2.8
131.03519	37.4
132.03838	1.0
143.03464	2.0
149.04568	46.6
150.04898	1.4
155.10773	3.7
161.04535	3.1
179.05647	5.0
191.03998	1.1
191.05615	17.1
199.09808	6.7
217.10728	0.9
233.06702	1.0
247.11775	2.8
259.25458	0.8
261.43036	0.9
346.13791	0.9
379.16113	18.5
380.16125	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89497	1.0
55.01883	1.6
57.03455	2.1
59.01385	100.0
60.19099	1.1
65.40638	1.1
69.05634	9.0
69.06031	2.1
71.01390	24.8
72.99287	2.0
73.02934	6.0
83.01404	4.6
85.02954	9.2
85.03442	1.4
87.00883	3.8
89.02456	15.1
93.03492	1.4
95.01421	1.5
98.22594	1.8
99.00896	2.4
101.02453	15.9
109.02986	1.6
111.00918	1.9
113.02454	11.0
118.40560	1.1
119.03539	7.2
131.03476	1.3
133.02972	1.3
134.03712	1.8
143.03497	1.4
152.01202	1.4
156.88112	1.2
159.03137	1.5
161.04601	6.1
175.04225	1.1
177.05591	1.7
179.05602	1.9
181.11781	1.2
191.05724	1.2
193.05147	1.2
209.49191	1.0
222.23071	1.1
284.03232	7.5
337.09308	1.2
379.17999	4.4
379.23444	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	380.157
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
57.03436	0.8
59.01391	19.5
59.35360	0.6
70.60101	1.2
71.01395	37.0
71.05031	7.5
72.01733	0.7
72.99296	1.2
73.02947	1.3
75.00871	0.8
83.01360	0.7
85.02979	3.7
88.04055	5.7
89.02463	9.6
95.01411	1.0
95.33933	0.7
99.04541	2.4
101.02461	10.5
113.02468	4.3
116.03569	1.4
116.07184	1.4
119.03515	2.9
128.07198	2.5
129.05591	0.8
146.08257	63.1
147.08609	2.8
161.04555	1.6
169.16870	0.6
173.08305	0.9
174.35291	0.6
179.05592	0.8
195.56300	0.6
200.09323	1.6
212.30257	0.7
300.98669	0.8
304.63721	0.8
308.13507	7.8
331.97711	0.7
351.84219	0.7
362.14709	2.1
380.15692	100.0
381.16101	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	381.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03436	4.0
59.01383	18.1
60.64338	1.7
69.03455	7.3
71.01391	48.1
71.26431	2.6
72.99313	35.3
73.02942	7.1
81.03466	46.0
83.01406	3.6
84.96848	1.6
85.02969	8.3
87.00907	2.8
89.02457	7.9
89.24278	1.4
93.03467	1.5
95.01406	2.3
97.02969	8.1
99.00893	6.8
99.04567	1.9
101.02452	16.0
113.02460	26.9
114.05653	2.0
115.04041	2.0
117.03487	2.4
119.37965	1.5
125.02464	100.0
126.02814	3.2
130.05130	1.7
131.03540	5.5
134.03757	35.6
137.02484	1.7
141.01961	8.6
143.03534	13.8
147.04555	3.5
149.04652	2.5
149.06044	3.8
159.03011	2.7
160.01668	4.8
161.04605	7.3
165.05539	2.1
169.01442	11.3
175.04071	5.9
177.01979	5.1
178.02820	3.1
187.02522	22.7
193.05074	24.7
205.03548	74.0
219.06664	4.9
249.13481	19.6
381.08301	4.3
381.17697	10.9
382.19391	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	381.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01384	5.3
61.98834	1.6
63.02416	5.4
63.08850	0.6
64.63706	0.7
65.00330	12.8
65.53228	0.7
67.47191	0.7
70.34523	1.6
71.01376	1.0
75.02453	0.7
83.01392	8.1
85.02991	0.9
96.96015	1.2
98.22609	0.8
99.38411	0.7
107.01405	17.6
108.99347	0.8
111.86741	0.7
121.02962	1.6
123.04571	2.6
124.01746	0.8
125.02457	8.8
142.81209	0.7
146.03778	0.8
149.02411	1.9
151.00388	47.5
152.00758	1.8
161.02441	2.2
167.03535	3.1
169.01416	1.7
172.05330	6.9
173.05888	0.8
174.03110	1.0
179.00510	0.8
185.06049	4.4
186.03220	0.8
186.06874	3.0
187.03976	1.1
199.03989	1.1
200.04831	1.3
201.09227	41.2
202.09470	3.5
207.93211	0.9
213.05466	1.1
217.00340	0.8
223.03931	0.9
227.07088	1.2
229.08731	22.3
230.09042	2.3
249.09137	1.0
251.07149	2.5
255.06757	3.9
279.06552	1.7
283.02539	2.1
284.03104	1.0
293.08173	0.8
297.04285	1.2
308.03220	2.0
309.04074	19.1
310.04437	1.6
334.04929	1.0
335.09229	2.9
337.07269	7.4
337.20236	0.9
338.65341	0.9
353.10327	6.3
363.08780	22.4
364.08981	2.9
381.09824	100.0
381.18930	2.4
381.23062	2.3
382.10193	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	381.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59693	0.5
55.94667	0.6
57.03437	2.4
58.77752	0.6
59.01360	2.6
63.02393	2.0
65.00331	6.8
68.72441	0.6
71.01373	1.8
73.70550	0.5
81.03473	0.6
81.30968	0.5
83.01389	4.3
85.02962	1.2
98.21820	1.7
106.96875	0.6
107.01405	9.8
112.68909	0.7
113.02453	1.6
122.95724	0.7
123.04512	2.1
124.01603	0.9
125.02461	10.3
137.02489	0.9
149.02364	0.7
151.00381	26.6
151.01595	1.3
152.00677	1.2
159.04500	1.4
161.02452	6.9
165.01930	1.4
167.03552	3.2
169.01413	0.7
171.04590	1.0
172.05354	4.4
174.03302	1.0
175.04037	3.6
177.01933	1.7
182.03716	0.7
183.04517	1.5
185.06085	3.2
186.06996	1.4
187.04044	2.4
187.07634	1.0
188.04794	1.6
189.01993	0.7
196.05324	2.5
198.03220	0.8
199.03986	1.3
200.04825	2.8
200.08453	0.6
201.05457	0.8
201.09245	4.3
203.07063	1.2
209.06055	0.7
210.06796	0.6
211.03984	0.9
211.07677	3.5
213.05573	2.0
215.03537	1.1
215.06885	0.9
216.04094	0.7
221.06018	0.6
224.04828	4.2
225.05360	0.7
226.02789	1.3
227.03516	2.0
227.07019	1.0
229.08725	11.4
230.09265	0.7
237.05551	1.3
238.06343	0.8
240.04359	1.2
241.05109	1.0
248.04854	1.2
249.05511	1.5
251.03462	1.1
251.20271	1.1
253.05096	1.7
253.08578	1.2
255.03458	0.7
255.06635	3.8
261.05609	0.9
262.06262	0.9
263.03510	1.2
264.04230	3.4
265.04999	1.9
266.05768	1.3
267.02954	0.8
277.04984	1.5
278.05649	0.8
279.06693	1.3
280.03793	1.0
281.04556	0.8
283.02655	1.0
283.05792	0.8
290.05817	0.8
292.03781	0.6
294.05304	1.1
295.09760	1.2
296.03229	0.8
305.04492	1.5
306.05368	1.7
307.06113	1.4
308.03360	3.0
309.04050	17.6
310.04471	2.4
322.04929	2.6
323.05597	8.4
324.06082	1.1
334.04855	3.7
335.05441	0.8
337.07202	22.4
337.20389	1.5
338.07492	2.3
351.05078	3.0
352.05820	2.8
354.03827	1.5
363.08676	2.3
381.09814	100.0
382.05557	1.1
382.10165	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	381.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	22.2
61.98839	12.4
71.01381	11.5
71.25864	2.2
71.48174	1.8
73.02943	6.2
75.00881	2.0
85.02962	4.6
87.25800	1.6
89.02469	9.9
92.05089	1.8
101.02448	4.7
113.02479	2.4
116.05059	4.0
117.01948	3.0
118.97807	1.7
119.03493	3.7
121.06663	3.1
130.08807	2.6
131.03766	3.4
132.04608	9.1
139.07680	14.9
143.06215	2.3
144.04578	10.6
156.06987	7.7
157.07724	6.7
158.04932	2.8
158.06123	3.8
159.05664	2.1
160.04118	10.6
161.04594	3.1
163.04100	1.9
167.06161	12.9
169.07704	4.8
170.06108	2.2
171.09238	11.4
172.04047	1.7
173.07227	9.2
175.02693	3.2
180.06941	2.2
181.07726	54.9
182.06279	2.3
182.08101	5.6
183.01768	1.6
187.08734	2.4
188.00797	1.7
188.05948	3.2
191.05617	2.6
197.07263	5.4
199.08797	38.1
200.09113	3.8
201.07855	15.4
217.09802	5.2
219.01460	2.4
226.05103	3.8
243.07738	23.8
261.08826	100.0
262.09131	6.1
335.13708	2.3
338.08661	1.8
363.11987	3.3
381.13123	16.1
381.17380	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	381.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	37.5
60.39274	2.0
61.98843	18.5
71.01389	24.9
71.26079	3.5
72.99330	2.1
73.02958	18.8
75.00876	3.1
85.02970	6.7
89.02463	21.8
93.03430	2.8
97.02946	3.2
98.03741	2.5
101.02437	11.6
109.06622	3.7
111.08210	2.6
113.02471	3.1
116.05093	5.1
117.01958	7.9
119.03537	7.5
121.06631	10.3
130.08762	4.7
131.03781	4.0
132.04582	7.0
135.04539	3.0
137.02454	2.8
139.07658	38.9
142.06644	3.3
143.03549	3.3
144.04594	9.5
156.06934	7.9
157.07741	6.9
160.04073	8.4
163.03923	2.2
167.06210	15.1
169.07748	3.9
171.09300	10.6
173.07224	9.4
175.02757	7.2
176.07352	2.2
179.05653	5.1
180.06996	3.3
181.07726	60.5
182.06145	3.3
182.08058	5.9
187.08730	2.3
196.30908	2.1
197.07262	4.2
199.08794	38.4
201.07813	35.9
202.07898	3.2
202.21651	2.4
217.09775	3.0
218.07574	2.2
219.01495	3.8
243.07756	25.0
261.08807	100.0
262.09143	9.0
300.70609	2.3
335.13678	5.6
338.08755	4.7
363.12131	5.1
367.53381	2.5
381.13052	17.6
381.17426	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03447	7.7
59.01388	25.8
61.00973	2.0
61.98831	6.1
69.03477	4.3
70.65155	4.7
70.65485	2.7
71.01396	90.3
72.99302	3.9
73.02962	27.0
74.02485	2.8
75.00890	24.9
78.95918	6.3
83.01394	8.8
84.02146	2.5
85.02974	35.7
87.00895	10.7
89.02466	10.5
95.01424	7.4
95.05038	36.1
96.97008	3.4
97.02959	3.8
98.03776	3.6
99.00903	10.1
101.02464	49.8
104.53255	2.9
113.02473	32.4
113.06108	32.0
117.01965	2.5
119.03543	2.3
119.82975	2.1
121.06537	2.7
125.02435	2.8
129.01985	2.7
130.08781	6.5
132.04578	6.2
139.07668	14.3
140.08052	3.0
143.03549	4.2
145.05103	7.3
154.06308	3.7
159.03023	10.3
161.04591	100.0
162.04948	3.9
163.03923	2.5
174.05693	2.8
201.07693	12.4
202.04724	2.3
205.03662	3.0
219.07828	13.1
235.08270	80.4
236.08652	4.3
237.06239	15.8
237.78590	2.4
253.55548	2.6
261.08856	10.0
279.07080	3.2
279.95908	2.4
337.11609	2.4
343.11200	5.3
363.12622	4.1
381.14059	24.4
381.18613	4.8
392.55582	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	381.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38200	7.6
69.51634	47.8
70.40969	6.9
74.99093	33.1
91.02222	53.1
93.00146	14.9
98.21832	8.0
138.93675	7.0
159.08501	100.0
161.06454	14.2
188.44423	7.5
209.03441	8.3
209.93735	8.4
228.97095	7.2
301.13297	8.1
328.64771	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	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58862	0.9
55.01886	7.2
56.61550	0.9
56.94403	0.9
57.03446	6.0
58.00592	4.4
59.01385	81.7
60.01716	1.3
68.42340	1.0
68.99827	1.0
69.03455	2.1
69.20617	7.0
71.01389	75.7
72.99313	6.5
73.02953	26.3
75.00868	1.3
83.01397	16.7
85.02961	34.8
86.00128	1.2
86.92319	1.1
87.00359	1.0
87.00882	4.3
89.02453	38.8
94.99413	0.9
95.01387	2.9
97.02965	2.7
99.00889	11.7
100.62083	1.0
101.02452	74.6
102.02800	1.4
110.82095	1.0
111.00897	8.1
113.02463	24.9
114.03641	1.0
115.03971	1.7
119.03477	1.5
124.12926	0.9
125.02465	5.2
129.01973	1.9
131.03517	26.4
132.85338	0.8
143.03503	4.3
149.04607	7.3
150.04776	0.9
159.02977	4.4
161.04582	16.3
191.05721	1.1
200.77068	1.1
205.03419	1.3
215.05688	1.6
231.12332	1.7
233.06676	4.4
249.13454	100.0
250.13684	5.2
262.90784	1.1
320.79730	1.0
381.17679	51.6
382.17950	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.4
56.74607	0.9
57.03218	0.7
57.03458	6.7
58.00571	3.4
59.01385	78.2
59.72304	0.8
60.01706	1.2
61.96700	0.8
64.82920	0.7
69.03458	1.9
70.03818	3.4
71.01389	78.7
72.01712	1.6
72.99331	4.8
73.02956	23.0
75.00864	1.4
81.03473	1.9
83.00954	1.2
83.01402	15.6
85.02962	33.0
87.00871	3.6
89.02455	37.9
90.02768	1.1
93.03489	0.9
95.01381	3.1
97.02935	3.3
99.00395	0.9
99.00894	11.0
101.02455	72.1
101.06077	1.9
102.02767	1.4
111.00895	6.3
113.02470	23.3
114.02820	1.0
115.04024	1.7
119.03517	3.1
125.02467	7.5
129.01894	0.9
131.02554	1.6
131.03528	24.9
131.07149	2.0
134.03749	2.4
137.09831	0.8
143.03493	4.6
149.04588	9.5
159.03001	2.9
161.04584	17.8
191.05554	1.8
193.05081	1.9
205.03534	2.6
231.12366	1.7
233.06621	5.4
249.13458	100.0
250.13762	6.7
293.08719	1.0
293.12204	1.3
320.03754	1.0
337.20187	3.1
380.17056	1.0
381.17703	72.0
382.18051	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
59.01385	100.0
70.96104	0.7
71.01390	8.7
71.26591	0.8
73.02961	1.8
75.00888	2.0
83.01402	1.1
85.02953	4.0
87.00912	1.8
89.02448	7.5
91.01941	0.9
95.01395	0.9
99.00874	1.1
99.92602	1.4
101.02452	7.7
112.56033	0.7
113.02473	3.8
115.92140	2.6
116.92880	3.9
119.03551	3.2
125.02490	0.8
135.04539	3.8
136.04935	2.7
137.05118	1.3
158.06198	3.0
158.61034	0.7
161.02496	0.9
161.04616	2.1
163.04111	2.4
173.04660	0.8
177.01945	36.8
179.03430	1.0
188.71634	0.8
189.01941	2.0
191.05644	10.6
201.11412	1.1
343.09592	1.3
369.63333	1.0
381.17233	4.9
381.21945	4.3
382.11557	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90924	2.4
58.11796	1.8
59.01378	2.3
61.98834	1.8
65.64048	1.8
69.15469	1.9
69.38086	2.0
70.79167	2.6
72.35578	1.9
74.48953	2.1
74.92319	2.4
92.42833	1.9
115.59242	2.0
128.35443	1.9
131.64067	1.9
138.66325	2.3
149.98869	2.2
170.05928	3.2
251.20232	2.9
277.18118	78.5
278.18381	8.1
279.19675	25.7
280.20264	3.0
295.19171	100.0
296.19522	11.4
297.15338	2.2
363.25497	17.7
364.25546	2.7
381.26535	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	381.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05473	2.8
58.02963	3.3
70.40801	8.7
111.37085	2.6
127.40309	2.8
132.20233	2.7
179.10818	8.3
181.12347	30.1
188.86977	3.7
199.13423	100.0
200.13716	7.6
215.12985	4.3
247.40782	3.4
319.85254	3.6
363.25394	4.7
381.11295	4.7
381.26404	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	382.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.04025	70.6
69.44715	6.4
98.21883	13.7
117.39964	6.1
126.75912	5.9
134.46991	6.4
276.80667	6.5
315.61435	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	383.0776
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
52.35311	1.4
59.01375	3.0
64.95929	1.9
65.33161	1.6
98.22539	3.4
121.02970	100.0
122.03330	1.9
147.04498	2.2
149.02426	1.7
181.06621	2.6
191.03488	7.7
225.05598	7.8
251.07213	2.8
295.06134	12.2
311.09271	15.2
313.07288	19.5
339.08893	12.6
340.09152	2.2
383.07730	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	383.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84255	2.2
59.01382	6.0
69.11678	14.7
69.95189	2.1
71.01376	3.5
73.02967	2.2
85.02969	10.8
85.20492	2.0
87.00867	3.7
89.02477	3.0
93.03485	2.7
97.56867	2.1
97.84975	2.2
103.04031	2.8
164.11208	2.2
191.05638	100.0
192.05949	5.6
192.31265	2.1
212.28827	2.1
234.29990	2.3
238.08803	2.4
309.36099	2.1
341.11029	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	383.1139
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
52.93300	1.0
56.43284	1.1
57.03464	5.5
59.01371	2.7
63.02396	1.8
65.00034	1.7
65.00335	18.8
69.26298	6.8
71.01376	3.5
81.03449	5.6
83.01400	15.1
89.02459	1.3
104.49435	1.0
107.01408	25.1
108.51256	1.0
114.13513	1.2
123.04539	17.0
125.02460	44.1
126.02780	2.0
151.00389	100.0
151.03946	2.4
151.07671	1.5
152.00705	3.0
158.03719	2.0
159.04488	3.7
165.12895	1.7
167.03514	35.4
169.01437	3.2
172.05289	6.2
173.06070	4.1
176.04590	1.1
187.04010	4.0
187.07663	72.9
188.07962	4.4
200.04861	1.4
201.05576	12.9
202.06374	28.2
203.06644	1.7
204.04248	2.4
213.09111	1.7
215.07234	10.9
231.10289	21.7
232.10616	1.3
239.07330	1.8
257.08212	4.5
265.05310	1.7
279.10406	1.3
283.06458	4.8
310.04944	1.5
339.08749	20.0
339.12476	1.2
340.09198	2.4
365.10507	2.7
383.11261	14.1
383.20749	2.0
384.11838	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	383.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67982	2.1
57.03446	6.7
59.01381	6.6
62.07446	1.7
63.02396	2.6
63.64201	1.7
65.00330	22.4
65.57248	1.6
71.01386	6.9
73.02936	2.1
81.03461	5.2
83.01382	15.3
95.01414	1.9
101.02442	4.2
107.01412	23.4
113.02479	3.1
123.04549	23.0
125.02465	48.7
148.47446	1.9
151.00386	100.0
151.03941	3.0
152.00717	4.4
159.04503	3.4
167.03499	35.1
169.01334	3.8
172.05328	5.9
173.06050	6.1
187.04048	4.2
187.07660	84.0
188.07983	5.3
200.04878	2.5
201.05595	14.9
202.06363	24.4
204.04352	2.5
215.07146	12.7
216.07675	3.1
229.05415	2.0
231.10292	26.8
232.10626	2.9
257.08145	5.0
267.70081	1.8
286.04916	2.7
339.08673	20.9
383.11255	15.3
383.20663	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	383.114
Annotation	Ophioglonol prenyl ether
Peak:m/z	Relative Intensity
52.23195	1.2
54.43976	1.3
59.01395	1.5
63.02411	7.3
64.68481	1.3
65.00334	16.5
65.24290	1.3
70.47308	3.3
73.70631	1.4
73.93180	1.2
80.02660	2.1
83.01402	10.1
92.36150	1.5
95.01392	3.8
107.01402	20.0
107.05010	1.4
108.02199	18.1
121.02955	2.0
122.54832	1.4
123.00880	2.7
124.01687	3.0
125.02489	3.0
133.03008	6.7
134.03751	15.3
135.04584	11.6
136.01682	18.1
143.05025	1.9
145.03015	2.2
146.03775	2.0
147.04553	6.8
151.00391	49.6
152.00789	1.7
155.05031	4.7
157.02966	2.0
159.04471	2.2
161.06075	2.2
164.01173	32.3
166.45169	1.4
167.03627	2.4
171.04529	6.2
173.02478	3.8
173.06102	1.5
174.03235	17.0
175.04030	10.6
176.04620	1.6
177.01964	4.4
185.02541	1.8
185.06088	4.9
187.04042	6.2
188.04825	2.3
189.05598	5.4
196.00146	45.4
197.00514	3.2
198.03278	5.6
199.04030	40.2
200.01170	1.7
200.04405	2.3
201.01944	18.6
211.04056	2.0
213.05553	4.4
214.06516	1.3
215.03497	13.4
216.04219	4.3
217.05035	4.7
223.84201	1.5
227.03479	1.6
229.05086	2.7
239.03621	1.5
240.04370	3.4
241.05057	10.5
242.05885	7.3
243.02977	4.7
245.02509	2.6
257.04608	20.2
258.05273	8.8
285.00854	2.7
285.04083	92.6
286.04837	100.0
287.05234	8.8
365.10532	4.7
383.11414	66.3
384.11740	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	383.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	1.9
62.10496	1.8
63.02398	3.6
65.00338	11.5
69.89948	8.8
72.16251	2.2
80.02700	5.2
83.01386	6.9
107.01415	25.1
108.02196	16.1
116.92905	2.1
133.02983	3.6
134.03752	12.4
135.04507	8.6
136.01680	18.8
147.04536	2.2
151.00385	35.9
164.01166	31.6
166.99892	2.1
171.04547	2.5
173.02380	2.1
174.03207	17.3
175.03967	3.6
177.01904	4.3
187.03951	3.2
188.04967	2.4
189.05742	3.4
196.00150	41.8
199.02312	3.0
199.04027	22.4
201.01923	16.8
213.05641	3.6
215.03481	8.7
216.04103	2.6
217.05202	2.2
240.04300	3.7
241.05084	6.2
241.18930	2.1
242.05844	8.7
257.04590	8.2
258.05240	8.5
277.99084	2.1
285.04071	65.1
286.04846	100.0
287.05246	9.9
383.11359	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	60.7
70.61261	100.0
71.12574	34.5
72.04745	30.0
87.22921	41.7
98.86456	33.0
142.23920	34.3
191.05623	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.12
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
52.67313	1.6
54.36400	1.5
55.64788	1.5
58.00613	2.8
59.01392	100.0
60.12138	1.9
63.55576	1.9
69.01946	1.6
69.03481	2.4
69.34122	13.5
71.01396	53.5
72.97568	2.1
72.99323	5.5
73.02954	21.7
78.84538	1.9
78.95920	5.4
81.03468	2.7
82.63834	1.5
83.01404	12.3
85.02962	11.2
87.00892	20.8
89.02461	51.7
90.02853	2.2
94.97208	1.7
95.01437	4.1
97.02961	2.1
98.21761	2.6
99.00919	3.2
101.02468	41.3
103.04019	3.0
111.00917	2.7
113.02478	25.5
115.06924	1.6
119.03532	21.5
123.04546	2.2
125.02470	6.7
126.98961	2.0
130.08769	7.9
131.03516	4.5
134.04718	13.9
143.03563	7.8
149.04626	5.4
161.04604	15.2
164.94829	1.7
172.97807	2.2
179.05637	15.6
189.59489	1.7
203.01561	1.8
205.03633	6.4
214.98799	3.5
230.08916	1.7
242.08876	2.8
252.03078	5.6
252.94214	1.9
270.04327	2.5
286.06177	2.5
323.09988	15.9
324.10266	1.9
341.10898	41.0
342.11417	4.1
366.08969	3.1
383.11938	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	383.12
Annotation	Acetyl-maltose
Peak:m/z	Relative Intensity
51.82372	14.9
59.01373	100.0
69.91462	52.0
69.91873	33.0
71.01385	81.5
73.02947	40.7
89.02452	64.4
89.56409	19.6
98.21855	23.9
101.02444	53.6
113.02412	46.0
140.35159	17.2
143.03572	22.4
161.04539	29.9
179.05658	22.8
221.06683	24.3
311.98999	20.4
392.43658	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.8
59.01387	13.7
68.99825	35.1
69.27187	4.5
71.01393	10.1
72.99325	1.4
73.02952	6.6
85.02968	2.3
87.00906	0.6
89.02458	11.2
93.03475	4.0
93.51663	0.5
95.01440	0.7
96.96039	1.5
99.00895	100.0
100.01263	2.9
101.02457	4.9
113.02479	4.0
113.34731	0.5
117.02024	0.7
119.03538	3.5
137.02460	7.2
161.04556	1.2
179.05609	1.5
187.66718	0.5
212.81436	0.5
228.61008	0.7
253.70734	0.5
305.09009	0.6
341.00195	0.9
354.95752	0.8
355.98517	2.2
383.00940	3.3
383.96600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01384	13.6
59.58455	0.9
60.37175	0.9
61.98825	4.0
69.26339	3.0
69.26761	3.8
71.01389	21.5
72.99299	1.2
73.02953	6.9
73.05001	1.0
83.01386	2.2
85.02962	9.9
87.00884	40.3
87.02729	2.5
88.32902	0.9
89.02448	6.1
93.03453	2.8
94.25340	0.9
95.01405	1.3
99.00894	2.6
101.02451	11.8
113.02441	7.8
119.03508	2.9
125.02515	1.2
129.01944	1.1
131.03510	1.2
131.05322	1.9
133.06949	100.0
134.07257	3.0
135.03012	1.3
135.04544	1.0
137.02435	1.2
159.02934	1.8
161.04561	10.4
173.04602	2.2
177.05547	1.0
184.96089	0.9
189.01747	1.0
190.74068	1.1
191.05630	3.0
203.07497	5.4
221.04568	1.3
221.08336	3.2
249.06168	31.4
249.08797	1.8
250.06418	1.3
281.58707	1.1
308.58862	1.0
383.10056	1.6
383.13843	39.1
384.14188	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	383.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.5
57.03455	5.5
58.00589	2.3
59.01384	68.1
61.98846	12.2
69.33846	12.1
71.01387	82.2
72.99313	6.1
73.02956	30.6
83.01397	19.0
84.06045	2.0
84.66524	1.7
85.02960	39.5
87.00890	6.4
89.02455	28.7
95.01394	7.7
97.02959	4.6
99.00898	12.3
100.00391	2.3
101.02452	100.0
113.02453	41.5
114.50699	1.7
116.94914	1.9
118.47807	1.8
119.03539	10.9
119.05046	4.8
125.02446	3.8
129.01929	2.0
131.03497	2.0
133.03055	1.8
134.04733	4.5
135.04570	5.6
143.03557	5.5
149.04536	3.1
159.03033	5.2
161.04576	37.2
163.03998	3.5
177.01987	3.2
177.05617	2.3
179.05647	6.5
181.85410	1.7
221.04582	7.3
221.06696	2.7
221.10320	66.6
222.07724	4.1
222.10709	4.1
272.30869	2.4
293.86002	2.1
296.12125	2.2
341.10919	4.9
383.11295	2.8
383.15723	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03464	3.2
59.01385	9.3
66.66771	0.5
69.03448	0.8
69.13983	4.6
71.01385	1.5
71.10864	0.5
73.71507	0.5
79.05525	0.6
83.01372	0.8
89.02478	0.8
89.99352	0.5
95.05048	2.4
97.02966	0.7
97.06586	3.6
98.21777	1.2
98.86433	0.6
108.02203	0.9
109.06609	1.6
111.00879	0.6
123.04544	9.9
123.08177	1.3
124.04869	0.6
135.08125	1.8
137.09695	0.8
149.09715	3.0
151.11307	5.3
161.09741	2.6
163.07619	2.6
164.08438	2.8
170.72139	0.6
175.74760	0.5
179.10797	100.0
180.11133	6.4
221.11859	1.6
278.20050	0.6
282.90219	0.6
314.43304	0.6
383.13297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.5
59.86026	1.0
65.20293	1.0
67.91386	1.0
71.01387	4.7
72.99270	1.6
74.45032	1.1
80.17729	1.1
81.98385	1.1
85.02951	5.3
87.00871	1.0
89.02457	2.8
93.03455	2.1
98.22685	1.6
100.57387	1.2
113.02448	1.9
119.05062	1.9
121.02950	7.0
125.02480	1.2
135.04567	3.6
135.57648	1.0
136.07611	1.1
149.02461	52.1
152.01157	5.5
163.04065	5.5
164.04808	45.1
165.02019	2.2
167.03587	1.2
169.05046	2.0
176.07266	1.7
179.07164	17.9
191.05690	1.2
193.01421	12.8
208.03792	34.0
222.07683	2.5
223.06136	100.0
233.29599	1.2
253.10358	1.1
333.33194	1.5
338.18640	1.5
340.02072	1.3
384.13025	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03454	14.0
59.01386	7.2
71.01379	5.2
71.01855	1.9
72.27359	0.8
72.99305	1.6
75.00882	2.2
83.01380	2.8
84.02174	2.2
85.02960	100.0
85.39012	0.7
86.03302	2.3
87.00895	2.0
89.02457	1.2
92.57520	0.7
103.00409	2.0
111.00881	0.8
125.02471	1.8
129.01958	8.8
133.01439	0.9
134.03751	4.9
139.22353	0.7
140.92569	0.7
147.02991	8.6
190.08865	0.7
191.01990	22.6
191.05722	1.1
193.05055	2.2
209.03023	16.7
223.04533	4.7
284.04752	0.9
327.16302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.6
57.03453	11.2
59.01388	30.7
61.98834	3.2
64.05320	1.0
65.37702	1.1
70.83414	2.5
71.01386	9.8
72.99328	3.1
75.00890	1.6
83.01412	1.7
84.02177	2.4
85.02962	100.0
86.03302	2.7
87.00896	3.1
89.02462	3.4
90.90547	1.1
93.03471	2.0
101.02475	3.4
103.00401	1.7
107.45767	1.2
108.71519	1.2
113.02515	1.8
114.05685	1.2
119.03532	1.1
119.05035	2.3
121.02964	4.2
129.01950	5.4
131.55453	1.2
134.03754	6.1
137.02466	1.7
147.03046	7.0
149.02454	29.2
149.06107	1.1
151.03931	1.7
161.04510	1.8
163.04053	3.3
164.04814	29.0
164.06180	1.7
165.05278	1.7
173.04601	4.9
179.07227	7.3
191.02003	25.2
191.05621	2.9
193.01466	3.1
193.05057	3.5
206.08202	2.3
208.03760	9.7
209.02979	9.1
211.06142	2.4
223.06160	39.0
224.06438	2.6
385.16928	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	385.1145
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.16670	0.5
54.42033	0.8
55.14217	0.6
59.01383	0.9
68.95591	7.4
71.01391	0.9
73.30840	0.7
85.02959	6.9
93.03458	0.7
98.22530	1.6
114.05633	0.7
121.02962	12.7
122.03311	0.7
129.01834	0.7
134.03786	1.1
135.04550	1.8
137.02415	0.9
147.03012	0.7
149.02457	88.5
150.02814	3.3
151.04060	0.8
152.01166	3.5
163.04059	3.7
164.04811	74.9
165.01990	0.9
165.05103	4.4
167.03543	0.9
169.05099	0.8
179.07156	28.5
180.07501	2.0
191.02005	1.9
193.01433	9.3
208.03770	23.8
209.02815	3.4
213.49657	0.7
223.06139	100.0
224.06525	6.4
265.07083	1.0
340.64130	0.7
385.11545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03679	0.9
59.01384	1.3
60.83689	1.0
61.70461	0.9
69.63690	0.9
71.01368	1.2
85.02982	2.1
89.76347	1.1
93.03463	1.4
93.09061	1.2
98.22528	2.6
99.25159	1.0
100.81138	0.9
113.02458	1.9
121.02982	7.2
135.04550	4.7
149.02458	48.0
150.02806	2.7
151.03979	1.3
152.01147	5.8
156.76717	1.3
163.04044	5.5
164.04819	33.7
165.01953	1.8
165.05167	2.2
169.05109	3.9
179.07169	10.8
193.01453	19.7
194.01791	1.3
200.35579	1.0
208.03804	40.9
209.04176	1.5
223.06143	100.0
224.06479	5.7
239.88663	1.1
263.58670	1.2
267.07309	5.7
334.89636	1.1
385.11203	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.7
59.01387	21.0
62.39769	1.3
68.11584	1.4
69.10097	5.6
69.10522	6.0
71.01387	25.0
72.99326	3.9
73.02946	1.8
75.00882	19.7
84.81857	1.5
85.02962	24.9
85.64139	1.3
87.00891	9.8
89.02459	9.4
91.05547	20.8
95.01405	6.9
95.41158	1.4
99.00889	10.1
102.81055	1.4
103.00410	2.6
111.53957	1.6
113.02465	33.2
114.02821	1.6
115.00423	2.4
117.01960	2.0
117.03481	4.6
121.02977	12.1
135.04539	11.1
137.07019	1.5
175.02477	3.2
205.07074	1.7
231.05043	1.8
249.06195	42.2
250.06612	2.7
263.07727	3.8
267.07233	100.0
268.07574	5.8
343.86993	1.6
385.11404	32.1
386.11807	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	385.1147
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.42504	1.0
57.03445	4.5
59.01096	1.9
59.01383	26.2
61.98845	6.7
62.02854	0.9
67.00028	0.9
67.01880	1.0
68.99796	2.1
69.88338	1.0
71.01389	25.6
71.27067	1.8
71.77888	1.2
72.99321	5.3
73.02958	6.8
75.00882	20.5
82.73812	0.9
83.01427	1.9
85.02962	21.0
87.00876	6.4
89.02450	5.6
91.05530	7.4
93.03442	1.5
95.01390	5.6
98.30221	1.1
99.00890	11.8
101.02473	6.2
103.00414	2.6
103.04080	1.0
113.02467	26.2
115.00394	2.8
117.02025	2.4
119.03498	1.7
119.08676	2.4
121.03052	1.1
128.34619	1.1
129.01965	2.8
135.04543	100.0
136.04883	4.0
139.68387	1.0
161.04568	1.7
161.09749	3.4
164.04703	1.4
175.02440	2.6
223.06288	2.1
231.05034	6.0
249.06180	60.6
250.06592	3.8
367.10672	1.7
385.11414	45.8
386.11612	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	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01389	2.7
85.02956	1.5
101.02480	1.8
113.02488	2.0
134.03741	1.6
210.61803	1.2
223.06157	1.3
246.94418	1.2
268.25400	0.9
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
54.41475	0.6
57.03449	1.4
59.01382	43.5
66.57281	0.6
71.01373	5.9
71.27055	0.9
72.19839	0.7
72.99307	2.7
73.02940	0.9
74.83643	0.6
75.00880	23.6
77.49763	0.7
83.01442	1.0
83.05008	0.6
85.02965	1.6
87.00877	2.0
89.02455	8.7
99.04541	1.4
99.61123	0.7
101.02459	2.8
106.42833	0.7
109.12073	0.6
111.00919	1.2
113.02473	2.6
115.00381	0.7
117.01987	1.8
119.03571	0.8
125.02480	0.8
133.02956	1.0
135.03012	100.0
136.03322	1.8
151.00475	0.8
161.02454	1.6
161.04544	0.9
167.62651	0.6
179.10802	1.9
223.10007	0.9
223.13399	23.0
224.13815	2.0
267.07446	0.7
267.12424	4.1
267.16043	1.0
268.12775	0.8
280.88666	0.6
284.03467	3.1
285.04135	1.9
285.48688	0.7
385.14807	6.9
385.18860	1.5
386.25476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01385	48.9
60.01690	0.8
63.38314	0.6
63.82182	0.6
71.01389	3.7
72.99310	1.9
73.02953	1.2
75.00883	20.8
85.02953	1.2
85.26036	0.7
87.00895	0.7
89.02463	5.2
96.58367	0.6
99.04497	0.7
101.02468	0.7
113.02463	0.9
116.07166	0.8
117.01928	2.0
127.67023	0.6
135.03015	100.0
136.03377	2.2
161.04565	0.6
161.13385	1.0
163.11415	0.6
177.01799	0.7
189.13441	0.7
213.10272	0.8
223.13422	23.1
224.13803	1.7
267.12390	4.8
267.15823	1.1
269.13980	2.5
385.14987	10.6
385.22437	1.2
386.15338	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	385.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.7
57.03455	3.1
58.00604	4.0
59.01383	100.0
60.01717	1.3
66.48379	0.5
69.23555	4.5
71.01389	69.3
72.01719	1.3
72.99325	4.9
73.02956	4.7
75.00864	0.7
81.03468	0.7
83.01388	2.7
85.02962	14.2
87.00881	3.5
89.02455	78.5
90.02796	1.4
95.01391	4.5
97.03020	1.0
99.00882	1.4
101.02453	37.9
102.02811	1.1
107.05048	0.7
108.56277	0.6
113.02460	28.2
114.02756	1.2
119.03516	35.6
120.03872	0.6
123.08159	2.5
125.02483	0.8
131.03505	4.1
135.04472	0.9
135.08145	1.3
143.03528	4.5
147.08133	1.7
149.04529	2.6
151.00348	0.6
153.08076	0.9
153.09236	12.9
159.02956	0.9
161.04550	5.0
161.09824	0.7
163.11316	0.7
165.09178	0.7
170.63438	0.5
179.05632	9.0
187.11305	3.3
189.05498	0.6
190.09959	1.2
205.10594	1.3
205.12354	14.0
206.12636	0.9
223.06105	0.7
223.13312	2.6
284.03235	0.7
285.04065	4.0
286.04352	0.8
287.05463	1.1
385.18631	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	385.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03454	2.6
58.00600	3.5
59.01385	100.0
60.01723	1.1
69.22749	2.9
71.01389	70.0
72.01723	1.3
72.99312	5.2
73.02956	4.0
75.00875	0.5
81.03397	0.4
83.01401	2.9
84.02187	0.4
85.02958	13.3
87.00883	3.3
89.02455	84.1
90.02791	1.7
95.01408	4.9
97.02985	0.6
98.22591	0.8
99.00895	2.2
99.04542	0.7
101.02452	38.6
102.02797	0.9
113.02464	29.7
114.02782	0.7
119.03513	37.5
120.03808	0.7
120.99654	0.7
123.08153	2.3
125.02422	0.5
125.09719	0.6
131.03500	4.2
135.04506	0.4
135.08154	1.3
143.02606	0.4
143.03529	5.1
147.08144	1.5
149.04579	2.6
153.09225	11.3
154.09572	0.5
159.02975	0.6
161.04575	7.3
165.09190	0.7
175.04240	0.4
177.12866	0.5
179.05632	10.8
180.05934	0.4
187.11230	1.9
189.09045	0.5
190.10028	0.7
199.68985	0.4
203.10706	0.5
205.12360	13.6
206.12584	1.1
209.01175	0.6
223.13377	2.8
385.18661	10.2
386.18686	1.6
392.10703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
57.03454	3.8
58.00602	2.8
59.01385	59.4
67.01900	0.5
68.99834	0.6
69.03444	0.7
70.52293	0.5
71.01389	72.0
71.26393	0.6
72.01724	1.1
72.99312	5.0
73.02954	11.4
73.03339	1.0
75.00863	1.1
76.60506	0.5
79.31051	0.5
81.03445	0.5
83.01398	5.5
83.05044	0.7
84.88805	0.4
85.02959	26.6
87.00893	3.8
89.02451	35.9
90.02818	0.6
93.03474	0.7
95.01400	5.6
95.05033	2.0
97.02951	5.8
99.00888	6.1
101.02454	35.7
102.02811	1.2
105.07147	0.8
107.05006	1.3
108.05830	2.4
109.02962	1.2
109.06606	1.9
111.00896	1.3
111.04527	1.3
113.02461	28.7
113.06100	3.2
114.02818	0.8
116.07203	1.2
119.03510	12.2
119.04904	0.6
121.02964	14.7
121.06590	0.8
122.03734	2.2
123.08197	6.1
124.01643	0.5
125.02464	1.3
125.06100	2.2
129.01949	1.4
129.10352	1.0
131.03554	1.4
133.06961	0.6
134.03752	3.6
135.04517	0.7
135.06517	0.9
135.08215	1.1
136.05318	4.1
137.06107	1.8
138.06885	24.1
139.07687	12.3
143.03578	2.6
147.08157	1.3
149.02428	4.0
149.06100	2.4
151.06419	1.2
151.07660	25.7
152.04810	2.4
152.08452	46.0
153.09229	100.0
154.09590	5.2
159.02994	3.9
161.04575	15.5
161.09822	0.5
163.04005	0.7
163.11278	3.1
164.04791	3.9
165.09222	2.3
167.07127	2.2
179.05597	1.7
179.07147	1.5
186.21634	0.6
187.11313	0.9
189.09236	1.4
190.02672	0.6
190.10011	2.2
193.01450	1.7
196.96033	0.6
205.03445	0.9
205.05144	1.3
205.12344	31.3
206.12683	2.9
207.83292	0.5
208.03806	2.9
211.44852	0.5
223.04720	0.9
223.06226	8.2
223.13405	14.6
224.06624	0.7
224.13675	1.1
235.06177	1.8
250.59099	0.6
263.07709	0.7
267.08896	1.2
284.02957	0.6
285.04123	1.8
325.09415	0.6
385.11380	2.4
385.18750	3.9
385.24649	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	385.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57749	3.0
57.74574	2.6
59.01376	3.1
61.98837	100.0
64.81509	3.3
70.46072	6.4
71.87252	2.6
79.29593	3.4
85.27430	2.4
103.32404	3.1
130.08791	4.7
133.69218	2.6
187.18683	2.8
205.43733	2.9
217.58868	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	385.2238
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01374	3.1
62.13560	1.2
63.54558	1.2
68.78352	1.0
69.14968	4.7
69.15382	3.5
71.01398	1.2
91.04034	2.8
94.90376	1.1
97.06548	1.2
98.22536	2.0
108.48386	1.2
121.02951	1.6
136.05272	1.5
143.97910	1.1
159.18817	1.2
165.19876	1.2
167.14395	2.6
207.17627	1.8
217.73396	1.2
223.20676	2.6
249.18607	8.7
267.19681	100.0
268.20013	10.7
275.16473	9.0
293.17630	69.8
294.17874	7.6
303.87692	1.2
311.18607	10.7
367.21198	7.4
368.21747	1.6
385.22372	55.4
386.22702	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35950	3.2
54.87109	3.3
59.01097	3.9
59.01385	66.2
61.98048	2.7
71.01390	50.5
71.25072	3.4
71.25430	3.1
73.01580	3.1
85.02963	13.2
87.00897	3.7
87.33444	2.8
89.02451	64.8
101.02445	19.8
113.02470	14.2
119.03508	28.4
128.03563	8.0
131.03500	3.6
131.73952	3.4
143.03505	4.5
159.53145	3.5
161.04546	8.8
179.05630	32.1
205.03455	4.9
335.91397	3.2
341.10898	100.0
342.11157	6.1
388.17316	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76476	1.5
58.00591	4.8
58.09521	1.8
59.01388	16.0
61.83768	1.5
61.98834	5.5
68.99834	1.8
71.01387	16.0
71.26254	2.6
73.02962	2.2
85.02977	4.8
87.00893	9.3
89.02470	8.3
93.03479	3.3
99.00907	2.5
101.02454	8.3
102.05627	2.6
109.02940	3.7
111.00890	3.2
113.02486	5.8
119.03512	2.8
121.02936	10.8
127.05146	1.8
128.03569	8.5
129.01955	2.1
130.08804	3.6
135.04521	2.7
136.01666	4.9
136.77007	1.5
137.02434	7.9
137.06129	9.7
149.02489	7.1
151.03981	4.9
160.43153	1.5
161.04565	3.1
163.04027	3.9
164.01225	6.2
165.01938	55.0
165.05598	1.9
165.09258	2.8
166.02307	2.3
167.03621	2.4
177.01938	36.2
178.02551	2.2
179.03514	67.4
180.04268	27.5
181.05070	27.2
191.05602	2.1
192.04298	13.2
194.05870	21.7
195.02992	9.9
195.06639	100.0
196.07008	6.6
207.03052	2.1
207.06664	4.5
210.05284	9.8
222.05124	1.6
222.16783	1.8
224.03358	1.9
225.04228	21.9
225.07686	60.8
226.07994	5.0
241.34355	1.7
286.04669	1.9
300.95316	3.1
330.81769	1.7
341.10913	5.6
357.12173	4.3
387.09293	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
56.80499	0.7
57.66445	0.9
58.00598	2.9
58.47856	0.9
59.01387	57.3
69.15731	2.0
69.16146	6.2
71.01390	22.0
72.99314	2.1
73.02969	1.3
77.47196	0.7
83.01388	2.5
85.02952	5.2
89.02457	25.4
93.03510	0.9
95.01398	2.2
95.05063	1.4
98.22536	1.7
101.02457	17.2
113.02462	8.1
119.03511	10.0
121.03014	0.9
129.10414	1.2
131.03496	0.9
149.02437	4.8
150.48167	0.9
163.11316	8.6
163.95078	0.8
177.01955	33.9
178.02478	2.6
192.04301	54.6
193.04820	3.1
199.54906	0.8
207.06644	100.0
208.07042	6.1
225.06960	0.9
251.08829	0.8
358.28918	1.0
387.12036	1.1
387.16711	18.4
388.17081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76812	0.8
59.01402	4.4
69.11131	0.8
71.01372	0.9
71.60803	0.8
85.02955	1.3
92.05019	0.8
94.06628	1.9
101.02469	1.3
107.03770	6.9
109.02957	2.4
120.04543	1.1
121.02970	1.4
122.06142	47.5
123.00933	1.8
123.06466	2.7
130.02992	3.7
131.03807	5.2
132.04581	8.5
134.03838	0.9
134.06146	2.0
136.01678	1.1
137.02473	12.2
138.03233	1.6
139.02768	5.1
146.06113	2.0
147.03273	1.1
147.04503	0.7
148.04074	1.7
148.05234	1.7
150.03233	0.9
152.07191	100.0
153.04472	0.8
153.05611	3.9
153.07510	4.0
158.02484	13.5
159.04628	3.8
160.04158	1.9
160.05344	2.9
161.02518	1.3
161.06050	1.2
162.03297	1.6
162.05606	6.2
163.04060	2.7
173.02422	1.0
174.03242	1.1
175.07602	1.1
176.03485	2.1
177.05577	14.5
178.06349	3.7
180.04327	1.1
187.03998	2.1
188.04776	2.0
189.96449	0.9
190.05115	47.0
191.03551	1.0
191.05490	2.7
191.07162	5.8
192.08000	1.7
195.06560	1.1
203.07159	12.4
205.05038	1.2
206.05930	4.2
210.05357	1.6
220.07477	1.2
221.08209	16.6
222.07756	38.6
223.08099	2.6
224.06892	2.9
225.11388	0.8
234.07622	1.1
283.06082	1.7
291.03354	0.8
298.08466	1.5
312.10062	1.0
313.07690	1.2
313.10886	6.9
314.11319	1.0
343.11963	3.1
355.13098	3.9
359.16092	1.5
369.13504	2.6
387.15625	68.6
388.15894	9.1
388.27011	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1565
Annotation	GS-3
Peak:m/z	Relative Intensity
68.99482	3.4
68.99878	0.4
90.10851	0.3
92.05050	0.6
94.06638	2.5
96.15594	0.3
98.21822	0.9
104.05088	0.5
106.06625	0.5
107.03787	10.8
109.02975	0.5
116.05098	0.6
120.04572	1.2
121.05360	0.7
122.06138	51.0
123.06459	2.0
124.07692	0.7
130.02994	3.5
131.03787	5.5
132.04572	8.9
134.06152	1.7
137.02490	0.5
139.02759	4.1
146.06155	2.4
147.03258	1.2
148.04088	2.0
150.05629	0.8
152.07190	100.0
153.07544	4.4
158.02504	12.0
159.02853	0.6
160.04092	1.9
162.05637	6.2
163.03984	0.6
164.07137	1.0
166.05190	0.7
176.03537	2.1
177.05632	0.7
179.02306	0.5
190.05116	52.3
191.05501	3.0
191.07022	0.6
192.06668	1.0
202.05092	0.4
203.07152	0.5
221.08147	0.5
222.07736	43.3
223.08134	3.1
234.07834	1.8
265.09824	0.7
278.15680	0.3
293.09354	0.8
295.10883	0.5
296.11673	0.6
297.12582	0.4
313.10895	0.5
323.10345	0.4
327.13434	0.7
340.10785	0.7
355.12994	4.1
356.13486	0.5
359.16211	1.1
387.15656	70.1
388.15982	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
58.00594	0.9
59.01388	77.7
60.01705	0.7
69.23141	5.4
71.00983	1.0
71.01389	17.6
72.99298	0.9
73.02959	0.9
75.36095	0.6
83.01392	1.3
83.16533	0.7
85.02960	5.4
87.00874	1.0
89.02457	16.9
90.91831	0.6
95.01400	1.8
95.77611	0.5
98.21741	0.7
101.01823	0.9
101.02458	10.7
103.73977	0.6
113.02466	7.8
113.44753	0.7
119.03525	5.9
120.26768	0.6
161.04601	1.0
163.11302	5.9
207.10301	16.1
208.10583	1.1
247.51923	0.7
335.97269	0.7
387.16641	100.0
388.16989	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	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01384	100.0
60.01702	0.9
68.99826	1.0
71.01396	3.7
73.02965	1.9
75.00882	1.1
85.02937	0.7
97.06566	0.9
98.22528	1.7
99.00915	2.3
99.04546	2.4
101.02480	2.9
104.66056	0.7
109.06652	0.9
113.02460	1.0
116.76405	0.6
135.03098	0.9
165.12920	1.8
167.10782	0.9
182.36514	0.7
189.12820	0.7
207.13918	5.5
208.14308	0.8
209.11806	7.1
225.14989	15.2
226.15550	0.8
227.12901	45.9
228.13286	3.1
251.12970	2.3
269.13968	24.9
270.14413	3.0
287.15027	87.1
288.15366	7.0
369.15726	1.4
387.16562	15.7
388.17157	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52472	0.5
57.03451	0.9
59.01388	100.0
60.01724	1.2
66.48067	0.5
66.53033	0.6
69.03481	0.9
69.06110	5.6
70.06228	0.6
71.01395	3.0
71.95596	0.6
72.99358	1.1
73.02940	1.3
74.06100	0.5
75.00899	1.6
83.01409	1.7
83.04996	0.6
85.02969	1.1
87.00906	0.9
89.02470	1.1
93.03493	0.7
97.06623	0.9
98.21748	1.1
99.00907	4.3
99.04556	2.0
101.02476	1.6
105.01954	9.8
108.04627	0.8
108.70491	0.5
109.02998	0.9
111.00941	0.5
111.08162	0.6
113.02499	1.5
117.01968	1.3
121.06551	0.8
133.03024	1.2
135.03081	1.2
151.00397	0.9
151.04053	0.7
165.12904	1.9
189.12868	0.6
207.13893	6.5
208.14291	0.6
209.11900	6.3
225.11438	2.1
225.14993	16.6
226.15436	1.1
227.12917	37.2
228.13210	2.9
251.13019	2.4
265.06216	0.8
269.13971	18.7
270.14334	1.3
279.27798	0.6
281.09384	6.1
282.09903	0.7
284.03403	2.3
284.53482	5.6
285.03818	1.9
285.13556	1.9
287.15039	71.0
288.15421	6.5
343.17447	0.6
369.15775	2.1
387.16595	18.1
388.17151	3.2
392.05060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.6
56.99806	0.5
57.03446	2.7
58.00608	3.2
58.49898	0.5
59.01386	100.0
60.01731	1.0
60.42020	0.4
69.03465	0.4
69.17977	1.3
69.18406	1.9
70.04759	0.4
71.01391	67.4
72.01740	0.9
72.99310	3.6
73.02959	7.0
75.00884	0.7
77.09789	0.4
83.01405	4.3
85.02965	15.2
86.03310	0.5
87.00888	3.4
89.02457	58.5
90.02802	1.1
95.01392	4.4
97.02971	0.7
99.00894	2.9
101.02457	37.7
102.02814	0.9
103.03692	0.4
111.00845	0.7
113.02463	26.0
114.02808	1.1
119.03521	27.2
120.03863	0.7
124.60157	0.4
125.02477	1.2
129.01920	0.6
131.03516	2.0
137.09760	0.8
143.03557	3.9
149.04575	1.6
159.03004	1.8
161.04584	14.5
162.04910	0.5
163.11302	5.5
170.75926	0.5
173.09721	3.3
179.05635	4.5
189.12885	22.9
190.13223	1.8
207.10243	1.6
207.13913	6.9
208.14249	0.7
225.14915	0.7
234.78969	0.4
271.85220	0.4
289.29944	0.5
305.38651	0.4
376.67975	0.4
376.75070	0.4
387.16516	25.1
387.20367	2.2
388.16895	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75402	2.2
52.15702	2.4
58.00586	3.0
59.01387	100.0
59.41799	2.3
60.01724	2.8
69.24333	19.8
69.25972	3.0
71.01382	14.0
71.44598	2.5
73.02967	7.0
77.27980	2.6
83.01407	3.0
85.02944	3.0
87.00916	3.7
89.02461	5.7
93.31300	2.5
99.04544	6.2
101.02458	6.9
113.02468	5.5
126.10255	2.4
135.03027	5.9
136.50449	2.3
164.32968	2.1
207.13979	7.2
209.11882	7.7
225.14993	5.4
227.12917	18.1
250.34325	2.5
269.13953	49.2
270.14337	4.5
284.03482	3.0
287.15015	36.1
288.15283	4.3
329.70316	2.5
345.22855	11.1
378.86600	2.8
387.16736	12.2
387.24188	6.1
405.50626	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	387.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41219	1.7
57.03456	3.5
59.01383	100.0
60.01719	1.9
65.40012	1.3
70.82624	1.3
71.01385	8.1
71.27137	1.6
71.27820	1.3
73.01338	1.2
73.02948	3.0
75.00890	14.6
85.02961	2.9
87.00884	1.5
89.02463	4.7
91.02718	1.2
99.00900	5.3
101.02488	3.9
111.47712	1.7
111.84846	1.5
113.02422	3.6
117.01955	2.2
127.71419	1.6
134.78949	1.4
135.03023	34.9
137.03398	3.0
161.04541	1.8
165.09367	1.6
165.12860	5.8
183.10316	1.6
207.13931	8.0
209.11853	9.5
225.15009	17.6
226.15352	2.5
227.12946	22.9
235.06100	4.7
251.12888	4.5
269.13977	45.7
270.14380	4.4
285.04184	2.7
287.15012	38.1
288.15265	4.0
387.16681	26.2
387.24051	1.8
388.17438	2.1
388.27222	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	387.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02473	3.3
63.19179	2.7
69.16070	21.3
75.00891	3.8
99.63901	3.2
122.01516	3.4
125.09761	7.8
127.11310	11.9
139.11252	8.0
155.10803	10.2
171.10297	57.4
172.10643	4.6
185.11813	3.5
193.08463	50.3
194.08719	3.6
201.11365	36.5
207.10001	5.8
223.09650	19.0
225.09930	6.4
241.09447	5.9
275.20227	5.2
311.22141	3.2
313.23843	4.3
329.23349	100.0
330.23843	8.5
331.18658	4.4
351.21576	41.9
352.21970	3.4
363.12512	3.7
379.67993	3.6
387.19196	96.6
388.19376	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	387.1923
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
59.77761	4.7
62.44476	3.7
63.97836	3.2
69.26379	7.5
69.26776	25.8
99.08197	6.9
136.95839	4.0
139.11353	19.8
149.73436	3.7
157.12399	4.9
171.10284	34.3
183.13782	3.9
193.08473	13.3
211.13380	28.0
229.14478	13.9
233.11569	22.5
249.11154	4.0
251.12703	4.1
329.23386	87.7
330.23657	9.1
351.21469	15.5
387.19186	100.0
388.19385	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03454	3.4
58.00599	1.8
59.01386	100.0
60.01731	1.1
60.55529	0.9
71.01389	58.9
71.26902	1.7
71.27280	1.1
72.01728	1.2
72.99320	4.1
73.02950	8.5
76.68276	0.9
83.01389	5.4
85.02961	18.6
87.00890	5.2
89.02456	50.6
90.02831	1.0
91.66441	0.9
95.01424	3.9
99.00904	2.8
101.02454	40.0
102.02791	0.9
102.11800	1.0
103.75961	0.9
111.00893	1.2
113.02464	27.9
119.03515	23.8
120.03872	1.2
121.02975	2.4
125.02438	1.3
131.03462	1.3
133.26984	0.9
143.03549	2.8
149.04591	1.7
151.07596	1.0
151.29108	1.0
152.08423	5.1
153.09201	3.6
159.02994	2.2
161.04581	12.5
163.11317	4.8
167.03546	1.1
179.05670	4.4
189.12852	1.2
207.10315	5.2
207.13988	1.9
225.14983	3.6
324.77466	1.1
387.16565	34.1
387.20447	23.8
388.16891	4.3
388.20810	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	387.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.2
57.03445	6.4
58.00600	4.1
59.01385	100.0
60.01710	1.6
66.13587	1.1
69.61406	4.0
71.01389	82.6
72.01726	1.9
72.99313	4.9
73.02959	12.6
75.00882	1.3
77.51430	0.8
81.03498	1.0
83.01391	5.4
83.05029	0.9
85.02961	24.4
86.67903	0.8
87.00889	4.4
89.02456	68.8
90.02811	1.5
95.01393	5.5
95.05054	1.1
97.02975	1.3
97.06612	0.7
98.21814	0.7
99.00906	4.7
99.04518	1.2
101.02454	50.1
102.02796	1.5
104.37096	0.7
113.02464	35.5
114.02798	1.0
119.03510	30.5
120.03855	0.9
120.99685	1.7
123.08222	1.8
125.02464	1.7
129.02087	0.8
131.03552	2.1
137.02504	1.1
137.09755	2.8
143.03497	4.9
147.04573	3.0
149.04584	2.2
153.12967	0.9
159.03047	3.2
161.04576	18.6
162.05046	0.7
163.11339	1.0
173.09784	0.7
179.03590	5.5
179.05576	6.5
179.10892	0.9
181.12450	2.0
181.47665	0.8
183.10335	2.9
189.12848	6.1
194.05940	1.0
195.13980	2.4
197.15436	1.4
207.13940	4.9
212.22878	0.7
225.14986	25.8
226.15274	1.5
227.13152	0.9
243.12350	1.7
269.14066	2.9
287.14969	1.5
357.09940	1.6
372.12253	1.6
387.15952	1.3
387.20328	12.3
387.24640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.3
55.73317	0.5
57.03452	1.5
58.00599	3.9
59.01386	100.0
60.01713	1.4
61.02900	0.5
69.68195	2.4
71.01390	56.9
72.01740	1.4
72.99315	3.7
73.02959	6.5
75.00891	0.7
83.01395	3.6
85.02957	15.4
87.00896	2.7
87.57320	0.5
89.02457	56.4
90.02805	0.9
95.01398	4.1
99.00894	2.2
101.02455	31.8
102.02805	0.6
111.00867	0.6
113.02467	21.5
114.02795	1.0
115.03989	0.5
119.03516	21.4
125.02475	0.6
131.03522	2.0
137.09785	0.7
143.03537	3.8
149.04582	1.8
151.11148	0.5
159.02985	2.2
161.04572	10.4
162.04974	0.8
163.11322	5.7
173.09712	1.9
179.05666	3.7
189.12874	20.3
190.13170	1.6
207.10182	1.4
207.13901	4.8
361.00763	0.6
387.16537	24.8
387.20285	1.5
388.16953	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.11988	1.0
57.03186	1.2
57.03460	15.4
57.35246	1.1
58.00580	3.1
59.01387	80.5
67.27814	1.3
69.03442	3.0
69.07101	10.4
69.57035	1.1
71.01393	64.9
71.05019	2.3
72.99306	2.8
73.02950	10.9
83.01386	7.3
85.02962	22.6
86.03310	1.4
87.00865	2.6
88.99162	1.1
89.02456	40.5
95.01400	4.0
97.77213	1.1
99.00890	5.3
101.02454	42.3
109.06595	2.1
113.02459	30.0
113.03187	2.3
119.03516	20.2
123.08160	2.7
124.30381	1.1
131.03558	1.6
136.02850	1.2
137.09724	9.4
143.03496	3.1
151.11275	3.8
153.12862	5.9
159.02957	2.6
161.04567	9.7
163.11290	4.3
179.05553	2.3
179.14473	2.1
181.12367	4.0
195.13928	7.9
197.15521	12.7
198.15842	1.4
207.13896	9.3
225.14986	85.9
226.15311	7.5
330.51688	1.4
387.20282	100.0
388.20676	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
57.03447	2.8
58.00600	5.0
59.01386	100.0
60.01726	1.4
63.78252	0.8
69.04295	6.1
71.01390	71.1
72.01729	1.0
72.99308	4.4
73.02962	8.2
74.02483	10.5
77.23644	0.9
83.01398	3.7
85.02967	18.7
87.00879	3.0
89.02456	67.8
90.02798	1.0
95.01405	5.8
97.02972	1.4
99.00903	2.9
99.30894	0.8
101.02457	40.7
113.02467	28.8
113.99404	0.7
116.03572	4.7
119.03520	31.7
131.03525	2.1
137.09723	1.0
143.03510	5.2
149.04587	2.8
159.03047	2.7
161.04573	15.5
162.06943	0.8
173.09746	3.5
179.05652	5.5
189.12881	25.6
190.13286	2.4
207.13924	8.1
209.35884	0.7
225.15012	1.9
227.12871	1.6
253.80339	0.8
344.17212	2.9
370.18619	1.0
377.51331	0.8
387.20340	6.5
388.19861	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.1
57.03454	3.4
58.00599	1.8
59.01386	100.0
60.01731	1.1
60.55529	0.9
71.01389	58.9
71.26902	1.7
71.27280	1.1
72.01728	1.2
72.99320	4.1
73.02950	8.5
76.68276	0.9
83.01389	5.4
85.02961	18.6
87.00890	5.2
89.02456	50.6
90.02831	1.0
91.66441	0.9
95.01424	3.9
99.00904	2.8
101.02454	40.0
102.02791	0.9
102.11800	1.0
103.75961	0.9
111.00893	1.2
113.02464	27.9
119.03515	23.8
120.03872	1.2
121.02975	2.4
125.02438	1.3
131.03462	1.3
133.26984	0.9
143.03549	2.8
149.04591	1.7
151.07596	1.0
151.29108	1.0
152.08423	5.1
153.09201	3.6
159.02994	2.2
161.04581	12.5
163.11317	4.8
167.03546	1.1
179.05670	4.4
189.12852	1.2
207.10315	5.2
207.13988	1.9
225.14983	3.6
324.77466	1.1
387.16565	34.1
387.20447	23.8
388.16891	4.3
388.20810	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	387.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63765	38.1
70.39123	50.0
70.39459	100.0
81.16021	46.0
88.66778	45.2
88.92402	36.1
92.58176	42.6
119.84934	45.9
124.23567	45.4
141.13361	42.5
159.48338	45.9
182.96790	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66418	11.2
55.25762	10.4
69.04826	26.6
69.05220	100.0
73.90713	11.0
78.29794	10.8
88.73064	11.8
98.21706	22.1
98.44212	11.2
102.63146	11.2
111.40878	10.4
141.09895	10.5
291.75525	10.9
301.56918	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	389.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37929	0.8
59.01387	100.0
60.01707	1.7
69.08265	7.9
71.01390	7.4
73.02963	1.9
85.02959	3.1
98.21768	1.7
101.02455	2.5
113.02465	1.5
122.03756	2.0
127.13612	0.9
152.04802	15.9
161.04552	5.3
167.07153	28.8
168.07513	1.2
213.86581	0.9
251.34189	1.1
342.43051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52749	3.1
55.01868	4.6
57.03434	4.4
59.01387	100.0
69.17837	12.5
69.18266	15.9
71.01033	4.7
71.01398	52.1
72.99300	5.2
73.02949	7.8
74.02462	7.0
80.99155	3.9
83.01378	5.4
85.02962	14.4
87.00888	6.7
89.02455	41.5
93.03471	5.0
95.01346	4.4
101.02463	25.6
104.03551	4.0
113.02449	10.4
116.86578	3.4
119.03519	20.6
122.06078	3.7
134.03754	7.3
135.02899	4.0
149.06088	14.3
153.01874	4.9
154.99875	9.9
161.04588	6.7
176.01187	7.2
179.05624	8.1
191.03516	18.4
191.05502	3.6
209.08218	6.6
218.04277	3.6
296.33554	3.5
329.12372	5.9
389.14291	12.6
389.18665	7.7
390.17755	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1457
Annotation	Reptoside
Peak:m/z	Relative Intensity
51.23092	2.0
55.01867	2.5
58.00600	4.4
59.01387	100.0
64.03512	1.5
67.31025	1.4
69.10329	15.3
69.34972	1.6
71.01390	65.9
72.99307	7.1
73.02926	3.3
82.95412	3.5
83.01411	1.7
85.02952	14.7
87.00869	6.1
89.02454	71.0
95.01410	4.2
96.40125	1.6
98.21799	3.4
101.02461	37.8
102.05577	1.9
113.02460	21.0
116.92899	2.2
119.03511	27.6
125.55148	2.3
128.03552	5.7
131.03522	3.0
135.04520	1.9
137.02464	10.0
143.03479	4.3
146.04688	2.4
151.04030	5.2
152.04796	3.6
154.99867	2.3
160.93230	2.0
161.02448	16.2
161.04559	4.2
176.04836	10.1
179.03511	25.4
179.05609	3.0
188.75748	2.3
191.05663	4.7
191.07198	4.1
194.05853	24.9
209.08223	68.7
210.08461	3.8
212.06912	7.2
216.98010	3.0
225.37061	1.7
227.09288	16.1
228.16731	1.8
260.10297	2.2
260.97235	3.4
293.13007	1.7
389.01706	2.1
389.14401	10.9
390.14182	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	389.161
Annotation	Flibanserin
Peak:m/z	Relative Intensity
52.98743	0.7
57.20173	0.6
59.01377	2.5
59.75072	0.6
71.01389	1.2
88.17192	0.7
89.02454	1.4
108.02208	0.7
109.02953	1.0
117.03484	2.1
119.05036	2.3
130.04279	0.8
136.01643	2.0
137.02472	8.1
138.03197	1.0
139.00400	1.1
145.02988	11.0
147.04533	14.8
148.05000	0.7
149.05954	0.9
151.04031	13.2
152.04747	2.6
153.01971	1.7
153.05539	0.9
154.02734	0.8
158.03748	2.1
159.04510	1.2
160.05247	0.9
161.02486	1.5
161.06087	1.4
161.36765	0.7
162.03253	2.6
163.04025	18.2
164.04535	0.7
165.01958	2.1
166.06335	2.3
167.03525	2.8
167.07118	1.1
173.02467	6.0
173.06149	1.3
174.03246	15.1
175.04021	66.6
176.04790	24.2
177.05545	8.8
178.02763	0.9
178.06137	0.7
179.03511	2.9
180.04294	29.3
181.04807	2.4
188.04805	12.5
189.05586	22.7
190.06377	59.8
191.03513	1.6
191.07153	47.5
192.04233	2.4
192.07442	3.3
193.05078	26.8
193.92104	0.7
194.05853	19.3
195.06145	1.3
198.05299	1.1
203.07170	5.4
204.07579	0.8
205.08716	50.1
206.09012	4.3
207.04698	1.3
207.06650	19.5
208.07407	16.8
209.04585	1.8
209.07668	0.9
222.08955	1.5
223.06038	0.9
223.09692	3.7
230.23065	0.8
293.21896	0.6
359.11267	1.7
374.13754	9.9
389.16077	100.0
390.16425	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	389.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96745	0.7
59.01391	3.0
62.71509	0.6
70.92192	1.1
71.01370	1.1
73.02924	0.6
85.21093	0.6
89.02436	1.7
101.02480	0.9
108.02174	0.7
109.02970	1.4
113.56478	0.6
117.03478	1.8
119.05013	2.2
130.04257	2.1
135.04527	0.7
136.01657	1.8
137.02481	7.4
139.00380	1.9
139.04048	1.1
145.02972	11.8
147.04544	15.7
151.02885	1.1
151.04028	14.6
152.04729	2.3
153.01974	1.0
158.03735	1.5
159.04546	1.3
160.05348	0.7
161.02454	1.5
161.06093	2.0
162.03206	3.3
163.04027	18.5
164.04413	1.3
165.01982	3.3
166.06357	2.5
167.03467	1.4
167.07123	1.3
173.02452	5.9
173.06070	1.1
174.03244	16.8
175.04022	68.3
176.04797	25.8
177.05566	7.3
178.02817	0.9
179.03476	2.8
179.95795	0.7
180.04305	32.8
181.04802	2.6
183.06525	0.8
188.04814	12.3
188.90395	0.6
189.05600	23.6
190.06377	62.7
191.03513	2.0
191.07155	47.1
192.04253	3.5
192.07417	3.5
193.05083	28.8
194.05855	22.6
195.06165	0.8
198.05392	1.0
203.07173	6.0
204.07559	0.7
205.08720	50.1
206.05867	0.8
206.09024	4.2
207.06639	20.9
208.07407	18.7
209.07761	1.0
222.08998	1.3
223.09753	4.8
226.39529	0.8
257.45688	0.7
281.34293	0.7
359.11264	1.5
374.13809	9.8
375.14188	0.8
389.16080	100.0
390.16507	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	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00444	1.3
56.34546	1.3
57.03444	5.3
57.51390	1.2
58.00611	2.5
59.01385	100.0
60.00583	1.3
60.01712	1.8
63.26270	1.2
71.01387	49.7
71.26990	2.2
72.99327	6.0
73.02950	5.8
74.03431	1.4
75.00835	1.5
83.01402	3.5
83.05016	1.6
85.02961	12.6
87.00906	3.7
89.02452	49.1
93.03484	3.2
93.95467	1.4
95.01414	2.0
95.05062	1.9
97.06616	2.6
99.00871	2.5
99.04584	1.6
99.94924	1.3
101.02450	31.7
109.06620	9.1
113.02462	21.8
119.03505	25.2
121.10250	5.5
131.03470	2.5
135.03029	1.5
137.02458	5.0
138.02824	1.9
139.03061	1.3
143.03526	2.9
146.76039	1.5
147.11816	21.0
161.04556	5.7
165.12851	9.9
179.05621	6.7
191.10826	3.7
209.11842	50.6
210.12199	5.4
218.52562	1.3
227.12837	2.1
241.45178	1.5
271.12289	1.2
271.15472	9.3
284.04074	1.6
311.22006	1.6
347.16660	1.3
389.08228	3.7
389.18091	31.1
390.18646	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.43568	1.2
57.03448	5.4
58.00587	3.8
59.01385	100.0
60.01730	2.2
68.97055	12.9
71.01387	50.6
71.05035	1.4
72.99315	4.7
73.02969	6.7
75.00896	1.7
83.01402	3.6
85.02966	12.0
86.29660	1.3
87.00873	2.9
87.04521	2.3
89.02456	49.0
93.03451	3.0
93.07147	1.3
95.01393	2.7
97.06625	2.4
99.00858	2.6
101.02453	35.9
107.05061	1.3
107.33162	1.3
108.02163	2.2
109.06614	7.6
113.02457	21.3
119.03507	25.2
121.10249	4.5
131.03435	2.3
132.86366	1.3
135.03029	1.9
137.02463	4.2
138.02754	1.7
139.02892	1.3
143.03554	2.7
147.11815	22.4
149.04581	1.8
161.04593	5.1
165.12773	7.4
167.84938	1.2
179.05589	3.5
191.10803	3.4
193.05096	1.6
209.09868	3.0
209.11856	47.0
210.12245	4.5
211.38399	1.5
227.12778	2.9
241.14468	2.5
267.61700	1.3
271.15594	8.0
341.10440	2.4
347.17206	1.6
389.08301	3.6
389.13831	1.9
389.18073	27.1
389.25833	1.5
390.08774	1.8
390.18665	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01870	1.2
57.03444	0.7
59.01388	60.6
60.01722	1.0
67.01885	0.7
69.03443	0.8
71.01392	9.1
71.26584	0.9
72.99321	0.7
73.02951	3.3
73.88127	0.6
81.15661	0.8
83.01400	2.7
85.02953	6.5
86.00036	0.8
87.00880	1.9
89.02449	3.7
91.20953	0.6
93.03458	4.1
95.01360	1.1
97.02977	0.9
99.00932	1.0
101.02454	9.1
109.02889	0.8
113.02448	4.1
119.03511	2.8
131.03578	0.7
135.04520	4.6
137.02431	0.9
150.03197	0.9
153.00662	2.7
161.04558	1.2
165.04083	1.5
165.05554	1.3
168.03006	3.5
173.04544	6.8
175.37907	0.6
179.03510	1.6
191.05626	16.8
193.05110	1.1
209.11763	1.0
271.15601	1.5
330.18616	0.7
353.08810	6.2
354.09039	1.0
371.16980	1.3
373.13995	1.6
383.56183	0.7
389.18213	100.0
390.18613	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	389.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77669	13.7
69.01936	100.0
69.02340	24.1
73.93061	12.4
98.21771	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14395	54.9
71.27774	57.0
71.28136	100.0
91.01319	52.7
161.25310	60.5
336.91879	72.8
355.51938	64.1
358.48996	68.2
372.00040	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2702
Annotation	4651-67-6
Peak:m/z	Relative Intensity
57.03449	1.7
60.99311	1.6
69.03447	2.7
69.10563	2.1
69.10966	7.6
71.38921	1.3
95.35556	1.0
149.09705	1.6
313.21854	6.3
327.26953	12.3
328.27176	1.7
329.24811	12.2
330.25476	1.9
345.28000	7.9
346.28290	1.5
371.25925	3.5
378.57986	1.2
389.27032	100.0
390.27362	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	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39843	10.5
57.09908	12.9
57.46545	12.2
61.98834	100.0
62.91528	13.2
73.68699	12.4
99.23756	13.7
107.00503	12.8
190.77841	14.6
197.03265	14.5
232.25606	13.9
260.82187	13.3
282.00232	15.6
399.63528	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	390.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74846	11.1
52.87889	8.9
61.98835	100.0
63.80500	9.7
69.66597	39.6
69.67006	22.3
69.88210	9.2
78.22153	12.2
114.00925	10.0
141.86034	9.9
148.68346	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88714	2.9
55.01865	3.2
57.03459	3.0
59.01391	41.2
65.00336	74.7
67.96218	2.6
68.79212	3.2
68.99809	3.9
69.03500	3.8
69.04773	31.2
70.36043	3.3
71.01388	36.7
72.99310	9.8
73.02939	4.2
75.00877	36.7
81.05849	3.9
83.01396	13.5
85.02959	28.1
87.00896	11.9
89.02451	9.0
95.01404	11.0
97.02953	18.9
98.21806	7.2
99.00899	18.5
101.02475	4.3
103.00404	5.0
111.00885	4.6
113.02467	41.4
115.00444	5.1
117.01925	5.5
125.99607	100.0
126.00554	5.1
127.00417	28.6
134.03772	11.5
135.04565	21.5
139.95265	3.3
141.01968	81.0
142.02344	3.4
146.00081	3.2
147.04512	3.0
157.01651	3.0
165.05591	5.4
178.02760	5.2
179.03526	16.0
191.05707	3.4
193.05096	15.0
216.98930	5.2
231.05244	7.1
249.06186	93.7
391.04352	14.2
391.08887	75.3
392.09485	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	391.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52745	13.6
56.63837	12.7
59.01393	100.0
62.68421	11.7
69.66656	51.1
70.94218	14.7
71.01400	34.4
80.85340	11.5
88.76109	11.7
97.06875	11.9
99.00797	14.8
101.02482	12.7
105.03431	13.7
123.04547	22.6
135.04587	23.0
139.00407	58.7
149.02466	44.1
150.03261	16.2
154.02740	73.1
169.05083	62.7
174.99281	20.6
183.17311	12.7
199.96819	14.3
199.99408	15.1
217.00227	48.0
227.01755	89.8
229.03998	15.7
271.09702	26.2
347.80450	12.2
390.08127	13.6
391.04510	25.5
391.09485	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	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24345	0.8
56.62763	0.8
59.01385	3.1
69.21270	2.6
69.21696	3.7
71.01379	1.0
74.02480	0.8
85.72240	1.0
93.03487	1.4
108.02216	2.5
111.12727	0.8
117.03486	1.4
121.02974	1.4
123.04517	1.3
124.01700	1.9
127.19346	0.8
134.03763	7.6
135.04558	1.5
137.02460	3.7
145.02971	1.7
146.03757	21.8
147.04144	1.6
148.36441	0.8
149.06100	16.0
150.03270	4.3
151.04034	25.9
161.02454	2.4
161.06087	10.6
162.03250	36.2
163.04036	8.4
164.04822	13.9
165.05544	2.7
177.05580	8.2
178.02730	3.7
179.03546	43.6
179.07156	72.3
180.04305	92.9
180.07446	4.0
181.04576	5.5
190.23854	0.8
193.05046	4.7
194.05853	14.9
195.06648	100.0
196.06995	4.7
205.04980	1.4
227.44670	0.8
249.07770	8.9
343.12003	1.7
355.11914	2.3
397.49750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50010	0.7
54.63957	0.7
57.03436	2.3
59.01384	100.0
60.01714	1.8
63.95974	0.8
69.03457	1.0
69.35397	4.1
71.01390	11.9
73.02950	6.7
75.00900	0.8
80.79209	0.8
83.01392	2.2
83.05025	2.4
85.02937	3.6
87.00874	3.2
87.04520	1.6
89.02448	6.5
90.66273	0.8
95.01402	1.2
95.05032	1.2
97.02972	0.9
97.06586	3.1
98.22550	1.7
99.04532	8.5
101.02454	7.8
105.01945	13.3
107.05027	1.7
111.08112	1.1
113.02438	5.5
119.03495	2.8
123.08202	4.1
125.06111	14.7
129.10307	1.6
141.09244	1.9
147.02980	1.6
147.04617	1.1
161.04562	3.1
163.11256	2.6
165.09172	2.4
167.07187	4.1
176.31583	1.1
181.12364	2.3
185.08231	18.0
187.13388	4.0
207.10193	1.9
223.13409	2.4
225.11360	10.4
227.08392	1.2
241.14445	1.5
243.12375	13.1
285.13504	7.6
303.14520	68.2
304.14835	6.1
331.17651	2.7
349.18732	6.5
358.02023	0.9
391.16098	35.5
391.19928	1.4
392.16690	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45713	0.5
52.30536	0.5
55.01879	1.9
56.27241	0.5
57.03449	1.4
58.00597	1.4
59.01384	100.0
60.01724	1.2
68.36723	0.5
69.03458	0.7
69.16232	1.5
69.16653	2.4
71.01390	37.3
71.93822	0.6
72.01762	0.6
72.99325	1.6
73.02952	18.8
75.00886	0.8
83.01395	5.7
85.02960	10.9
85.03422	0.8
87.00882	11.9
87.01401	0.7
87.04578	0.6
89.02454	13.1
95.01386	3.8
97.02970	1.4
99.00883	3.9
99.33420	0.5
101.02453	28.6
102.02760	0.6
111.00911	1.4
113.02460	15.9
114.02819	0.8
115.07703	1.0
119.03532	5.2
125.02467	1.2
127.11293	1.0
129.01997	0.7
131.03532	0.7
134.45361	0.5
141.09229	18.5
143.03566	1.9
143.10788	6.6
153.12915	1.5
159.03041	1.6
161.04568	13.5
167.10863	1.6
171.13969	1.1
179.05647	1.2
185.11873	0.6
187.09833	0.7
187.13489	1.5
203.03406	0.5
203.05453	0.9
211.13483	0.9
220.31677	0.5
235.19612	0.5
259.15729	1.4
283.15585	0.6
301.16687	0.7
331.17578	7.3
349.18713	31.2
350.18906	4.5
388.61581	0.5
391.19806	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
58.00584	0.9
59.01385	100.0
60.01711	1.8
71.01389	32.5
71.26948	1.0
72.99323	1.8
73.02953	11.7
75.00879	1.6
83.01395	6.0
85.02966	10.1
87.00877	5.7
87.04523	3.8
89.02466	10.4
95.01400	2.3
97.02957	0.9
98.24478	0.7
99.00906	4.1
101.02451	20.3
102.02779	0.9
111.00902	6.8
113.02469	11.9
118.86289	0.8
119.03496	3.2
126.46301	0.8
129.01952	0.8
134.95557	0.7
141.01883	0.9
141.09235	14.2
143.03508	1.9
143.10797	3.5
151.55240	0.8
153.12917	1.0
159.03023	1.6
161.04562	11.0
167.10764	1.2
169.12321	1.0
179.05585	1.1
187.09697	0.7
187.13437	5.7
189.15060	1.0
201.12976	0.8
228.69884	0.8
331.17682	7.1
349.18704	22.3
350.18988	1.8
391.14999	1.4
391.19592	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	391.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
59.01386	100.0
62.24781	1.0
69.03468	1.0
69.45178	5.3
71.01385	18.2
72.99290	1.1
73.02959	10.1
75.00819	0.9
80.63602	0.8
83.01399	2.5
83.05012	0.9
85.02956	6.1
87.00900	1.7
87.04510	2.3
89.02459	13.0
95.01408	2.6
97.06590	0.8
98.22468	1.1
99.00908	1.8
99.04536	3.0
101.02453	13.2
105.01949	5.1
110.03748	0.9
113.01735	1.1
113.02473	12.2
119.03499	4.9
123.08185	1.7
125.06110	4.4
143.03488	1.3
147.04491	1.2
152.26587	1.0
161.04576	5.7
163.11377	0.9
164.07346	1.1
165.05634	1.2
185.08206	5.2
187.13431	7.2
207.10191	1.1
225.11333	3.4
243.12473	4.0
285.13309	2.9
303.14499	24.6
304.14694	1.9
331.17450	4.3
349.18729	12.8
350.18939	1.5
391.15872	14.7
392.16489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37053	0.6
57.03454	1.4
58.00591	1.0
59.01387	100.0
60.01722	2.1
69.65132	2.1
71.01393	21.4
72.99326	1.2
73.02952	10.2
73.78206	0.7
79.95782	0.9
80.96536	1.4
83.01385	3.8
85.02956	6.5
87.00903	3.3
87.04581	0.9
89.02456	11.1
95.01407	2.0
97.03019	0.8
98.22399	1.0
99.00951	1.4
101.02456	12.1
111.00932	0.7
113.02466	12.9
119.03556	3.3
143.03535	1.4
149.04549	0.8
161.04578	4.8
185.07146	4.7
187.13440	5.9
191.05750	1.1
196.95917	1.6
220.76675	0.8
227.08305	3.6
256.93060	0.7
303.14822	2.0
331.17682	5.0
349.18729	8.6
352.33847	0.8
370.98621	0.9
380.57828	0.8
391.11841	1.5
391.16464	2.0
391.20291	2.3
392.18793	1.0
410.55862	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2859
Annotation	3beta,12alpha-Dihydroxy-5beta-cholanoate
Peak:m/z	Relative Intensity
57.03437	1.1
59.01387	4.5
63.87260	0.4
69.03462	3.0
70.77658	0.8
70.77998	0.6
74.37740	0.4
92.75608	0.4
116.23832	0.4
178.51949	0.4
214.88884	0.5
275.24048	0.9
313.21893	1.4
315.23331	2.4
327.26965	2.3
329.21408	0.8
329.24945	4.2
331.22485	1.0
331.26468	21.7
332.26743	3.2
345.24597	0.6
347.26077	0.8
347.29648	6.4
348.29846	0.7
357.24356	0.5
363.25290	0.6
373.27524	27.4
374.27859	3.7
375.25562	3.3
391.28674	100.0
392.29010	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	392.1716
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
57.03424	0.7
59.01387	6.2
69.93136	0.8
71.01367	3.4
74.57703	0.8
84.04558	2.6
85.02946	1.9
89.02460	1.3
95.05022	0.9
96.00941	0.8
97.02985	1.0
98.21754	1.6
100.04057	1.4
101.02447	1.4
102.05624	71.3
103.05914	1.1
108.04549	3.0
109.02946	3.7
110.06117	5.2
111.04554	1.7
113.02481	0.9
118.68190	0.9
119.03506	0.8
121.96931	0.8
123.08173	1.5
125.06097	4.6
128.03561	29.4
129.24176	0.8
136.05321	5.0
137.09702	1.4
138.06921	1.6
139.07654	2.5
146.04628	8.3
148.05290	1.1
149.06030	2.2
151.07635	6.0
152.08382	2.0
153.09171	2.6
162.09346	1.1
163.07597	1.3
165.09229	3.4
174.52536	0.8
175.07700	1.2
185.09605	0.8
188.08322	1.0
189.09232	1.1
201.12874	9.0
203.10780	4.2
204.11592	8.1
217.12285	1.0
219.13893	11.4
220.14233	1.2
230.09450	2.0
230.14804	1.6
240.14365	0.8
244.13428	1.5
245.11833	6.0
262.14496	1.3
263.12918	9.1
264.13358	1.0
302.17758	1.4
333.15973	1.5
348.18259	7.4
349.18417	1.0
357.14691	2.0
374.16110	12.5
375.16595	1.9
392.17145	100.0
393.17490	13.1
393.21988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.2
60.48566	3.2
71.01377	8.5
75.32452	3.0
81.02196	3.2
82.02985	3.8
82.06649	3.3
89.02452	3.8
93.04079	3.0
96.00928	13.1
98.02502	14.5
101.02451	6.6
111.02022	4.4
113.03598	12.9
118.06623	4.1
124.15530	2.7
129.10352	5.4
130.08762	8.8
135.04541	5.5
140.07201	4.4
143.05026	3.3
147.04538	16.9
155.08282	3.4
164.07182	32.2
165.10269	6.0
166.08745	20.6
178.70236	3.6
199.06418	6.5
219.03030	4.6
220.94180	3.1
233.16652	3.8
268.64850	3.5
272.71271	3.2
277.15579	4.8
285.03958	6.9
313.15549	10.1
350.60272	3.2
357.14566	100.0
358.14984	15.8
374.17227	40.5
375.17688	6.2
392.18890	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	392.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26837	1.0
59.01387	6.4
66.87812	1.0
70.02985	3.0
71.01402	2.3
71.26667	1.2
71.27137	1.1
75.00895	5.2
77.90636	1.2
81.02208	4.9
82.06638	4.0
84.08225	1.4
87.05670	2.7
88.98879	1.7
89.02492	1.7
96.00925	45.3
98.02491	29.3
101.02511	1.4
102.05622	13.4
102.43411	1.4
109.02911	1.3
113.02425	1.4
113.03590	21.2
114.01988	1.8
116.05073	1.6
118.58226	1.2
122.09278	1.2
125.06064	1.6
128.03563	8.9
129.41074	1.2
130.08766	40.6
131.05066	5.7
134.03616	1.5
138.09271	10.9
141.10381	1.3
142.11237	1.2
146.04637	6.1
150.03290	2.2
161.03587	2.9
163.08868	1.4
165.05539	3.5
165.10376	1.5
166.08809	2.4
172.07643	1.6
174.05663	2.4
182.02226	1.3
191.05611	1.7
195.06641	2.6
197.04634	2.9
200.07227	16.6
201.12698	1.4
204.09146	2.8
204.11502	1.4
216.13951	10.6
219.13916	1.9
232.13115	1.2
259.14612	5.2
260.12888	14.2
261.08936	1.8
263.12894	3.0
267.15079	1.5
269.16690	2.3
277.15582	4.6
289.13211	1.4
295.14734	2.6
313.15781	3.2
333.12262	2.8
356.25488	1.8
357.14600	100.0
358.14932	12.1
374.17249	32.6
375.17398	4.4
392.17133	14.0
393.17606	8.2
393.22113	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	392.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48272	4.5
59.01378	12.2
61.98838	100.0
62.62827	4.2
69.08905	24.4
69.09329	10.7
86.68946	4.7
119.76277	3.7
178.51035	4.6
200.33980	4.1
206.76736	4.8
382.41714	4.4
393.18909	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	392.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67713	17.1
57.33727	18.6
61.98832	100.0
69.65237	14.5
71.05741	31.7
73.07360	15.8
75.19260	14.7
76.14689	16.5
102.62444	16.8
115.62176	18.0
121.02940	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	393.1195
Annotation	Fortuneanoside A
Peak:m/z	Relative Intensity
59.01376	2.4
71.01379	1.4
71.26340	0.4
85.02964	0.6
87.02395	0.6
89.02447	1.3
101.02447	1.2
106.40821	0.4
108.51444	0.3
109.02958	3.5
113.02454	0.7
119.03506	0.4
126.27945	0.3
145.06607	2.2
147.04518	2.0
159.04536	5.8
159.08153	1.1
175.04002	0.6
179.05540	0.4
183.14032	0.5
185.15495	0.6
186.15891	0.3
187.07677	7.2
188.04745	1.5
188.08139	0.3
189.05589	4.2
190.05954	0.3
213.05589	0.4
215.03534	0.5
231.06636	100.0
231.15918	2.6
232.06966	8.6
269.08194	2.3
357.06219	0.6
393.16251	0.4
393.21320	7.0
394.21671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
55.09667	0.4
57.03448	2.2
58.00602	3.7
59.01385	98.7
60.01715	1.5
63.99279	0.5
69.03462	1.6
71.01389	67.6
71.27435	0.8
72.01728	0.4
72.99310	4.0
73.02957	9.2
73.46547	0.4
76.42282	0.4
77.60390	0.4
83.01395	3.6
85.02964	11.2
86.00095	1.8
87.00886	8.1
89.02457	100.0
90.02805	2.0
95.01376	1.3
97.02949	1.2
99.00877	0.9
101.02454	42.0
102.02797	0.8
111.00867	1.3
113.02463	12.8
119.03510	9.6
125.02463	2.6
129.01927	0.4
131.03520	41.2
132.03838	1.6
143.03484	1.6
149.04573	55.3
150.04897	2.0
161.04520	1.2
174.75693	0.4
178.74205	0.5
179.05568	2.0
181.56784	0.6
191.05646	20.5
192.05890	0.9
221.42964	0.5
333.19073	0.7
351.19971	0.6
393.17548	6.1
394.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.8
57.03458	5.2
58.00587	3.6
59.01384	85.9
59.78166	0.8
60.01717	1.1
69.03448	2.6
71.01391	100.0
72.01718	1.5
72.99316	4.1
73.02954	25.1
74.03281	0.9
75.00888	1.3
75.66339	0.9
81.03435	1.2
83.01398	16.3
85.02959	34.8
86.03311	0.8
87.00883	6.6
89.02455	67.9
90.02788	1.5
95.01405	4.1
97.02985	4.3
98.21818	2.1
99.00886	9.2
99.08184	1.3
101.02455	75.6
102.02799	2.3
111.00284	0.8
111.00901	7.7
111.08168	1.3
113.02460	28.0
114.02818	1.1
115.03957	1.6
119.03501	10.3
125.02458	6.4
129.01952	1.4
131.03517	39.4
132.03848	1.1
143.03520	5.2
149.04578	29.0
159.02971	3.8
161.04564	22.5
167.07095	0.9
173.04584	1.0
179.05615	1.7
191.05649	12.3
201.01974	0.9
215.05713	1.2
233.06715	6.1
261.13449	57.5
262.13788	4.7
383.57062	1.0
393.17642	38.0
393.28165	1.5
394.18134	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54581	0.5
54.15402	0.5
55.01872	0.9
58.00586	0.6
59.01387	100.0
60.01722	1.7
70.61469	0.8
70.61816	1.0
71.01392	10.0
73.02959	3.3
75.00906	0.7
83.01414	1.9
84.89973	0.7
85.02966	5.2
87.00928	1.3
89.02447	3.9
95.01410	0.7
99.00924	2.3
101.02451	6.5
111.00908	0.6
111.16132	0.6
113.02486	5.0
119.03549	1.2
143.03526	1.0
145.03046	0.9
149.04613	0.7
157.50406	0.6
159.04477	0.8
161.02466	10.2
161.04628	2.0
162.03258	0.8
163.04037	12.3
164.04373	0.9
175.04086	1.2
177.05667	1.6
189.01958	20.0
189.03621	1.0
189.15109	1.2
190.02461	2.4
191.05701	1.0
194.02283	0.7
205.01469	1.0
218.85431	0.6
221.04602	7.1
247.02654	1.1
265.03683	2.2
333.19141	4.4
351.20209	4.6
393.08542	4.6
393.13348	1.8
393.17642	1.1
393.21960	1.0
399.22311	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.1
57.03454	1.5
58.00605	1.3
59.01387	100.0
60.01721	1.3
69.14309	0.5
70.73239	0.5
71.01392	28.9
71.27340	1.1
72.99335	1.3
73.02953	4.7
74.82793	0.5
83.01412	2.8
85.02966	9.0
86.00107	0.6
87.00898	2.7
89.02457	30.7
95.01430	0.7
97.02947	0.7
99.00913	1.7
101.02457	16.9
113.02464	8.5
119.03564	1.7
125.02478	1.1
131.03520	12.5
141.01668	1.3
143.03557	1.5
149.04584	15.5
159.03011	0.7
161.02565	1.8
161.04616	2.3
163.04126	1.8
167.05980	0.6
174.18037	0.5
175.04027	0.8
179.05594	0.9
187.13440	0.7
189.01990	2.8
189.15045	1.4
191.05637	7.0
217.67319	0.6
221.04631	0.7
256.48492	0.6
261.13544	1.9
285.08984	1.2
300.39508	0.6
333.19189	7.5
334.19485	0.8
351.20309	5.0
371.41690	0.7
393.08438	1.4
393.17270	2.7
393.22232	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	393.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81707	1.4
59.01385	100.0
60.35707	1.3
69.38406	4.4
69.38828	4.8
85.75035	1.4
87.24652	1.2
169.14977	1.5
208.14351	1.5
393.18869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32557	76.7
61.35382	73.4
64.16492	74.5
64.92673	64.5
65.41154	68.5
66.96246	65.1
71.20582	61.8
71.27285	100.0
75.60365	64.5
86.75620	72.7
94.25131	73.2
105.05802	78.2
118.24586	77.1
142.40273	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84632	4.0
59.01397	5.2
60.27386	4.6
61.98529	5.1
61.98838	100.0
62.10601	3.9
70.84851	5.6
70.85182	4.9
74.23163	3.7
97.76987	4.1
119.91079	4.5
156.73857	4.2
256.34958	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	394.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84719	0.6
57.03442	0.9
57.36607	0.8
58.00600	1.2
59.01387	33.2
69.21481	4.9
71.01389	43.5
72.00908	0.7
72.99303	2.3
73.02950	2.0
83.01394	2.0
85.02962	5.2
85.06602	15.1
87.00893	1.2
88.04041	6.7
89.02451	12.9
95.01369	1.2
95.05033	0.8
98.22540	1.2
99.00887	0.7
101.02455	11.2
101.04317	2.9
113.02464	7.5
113.05199	0.6
113.06119	2.2
114.44498	0.8
115.92072	0.9
116.03535	1.1
119.03524	5.1
121.14639	0.6
125.02499	0.8
130.08746	1.4
138.05598	0.8
142.08728	2.5
143.07246	0.6
145.08748	1.3
151.03926	0.6
160.09807	44.4
161.04547	2.0
161.10138	1.7
162.05595	2.0
174.24567	0.6
179.05592	1.5
188.12843	0.6
191.05632	1.2
192.06642	1.2
193.68785	0.6
276.08737	1.5
277.12753	1.1
322.15137	5.9
335.17114	2.7
376.16116	2.5
394.17212	100.0
395.17661	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30466	100.0
99.13451	14.2
105.12326	12.7
134.00415	14.0
288.00653	12.6
300.77335	13.0
391.73840	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	394.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	9.6
66.27097	8.9
70.31342	8.3
70.31682	30.5
72.79252	8.4
78.95914	80.9
86.85732	8.5
91.44942	10.2
101.11462	9.4
130.87448	8.1
143.34560	8.5
152.99586	100.0
154.70035	9.1
156.15117	9.5
395.21909	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	88.2
69.79924	7.2
71.01392	71.8
71.26153	7.9
75.00902	7.7
81.00604	7.7
83.01405	8.1
85.02957	15.7
89.02463	100.0
99.00830	7.5
101.02451	42.9
113.02477	23.0
119.03513	19.5
123.00928	10.6
123.04585	10.3
131.03474	38.0
137.02438	17.8
138.03244	10.3
149.04562	44.8
151.04019	31.6
166.31520	7.5
184.89656	9.2
191.05687	28.3
197.04527	31.2
266.53635	7.9
395.15549	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	395.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10384	10.7
57.05792	11.2
59.01372	33.9
61.25441	10.9
69.16227	100.0
71.01392	32.6
89.02465	19.1
93.77676	13.6
98.22507	28.6
98.29757	11.7
101.02460	17.8
113.02489	20.8
119.05106	24.7
174.94370	12.1
209.26178	11.7
213.18929	12.8
215.10936	19.4
258.18118	13.4
297.28888	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03432	2.8
58.00591	5.4
59.01385	100.0
59.57514	2.4
60.01701	2.5
61.98835	12.0
65.50520	1.8
70.69074	1.8
70.69418	4.8
71.01390	83.9
71.05022	5.8
72.99307	6.1
73.02946	12.1
83.01404	7.7
83.05029	4.3
85.02962	15.9
87.00890	8.2
89.02453	83.8
95.01422	2.7
99.00904	6.7
101.00659	1.9
101.02457	39.8
101.06094	5.4
111.00880	3.0
111.08206	3.0
113.02460	21.0
113.06010	2.5
115.04009	2.0
119.03491	10.6
121.79484	2.3
125.02466	4.3
131.03503	15.3
143.03494	5.0
143.04642	2.2
149.04575	16.6
151.04024	3.4
161.04596	15.5
161.05833	3.2
162.99886	2.0
179.05638	5.0
189.05574	37.4
191.05621	7.2
248.05013	1.9
263.11414	7.5
270.24826	2.0
293.08832	4.6
335.13467	11.1
348.61850	2.0
377.14294	2.3
395.15421	18.3
395.19803	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	395.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63140	3.1
57.03455	6.5
58.00611	4.7
59.01104	4.7
59.01389	93.6
62.07681	4.5
65.03962	14.3
71.01392	100.0
71.26415	3.4
72.99321	3.9
73.02943	5.4
81.03462	8.1
83.01377	5.5
83.05026	8.4
84.02203	3.5
85.02966	28.9
85.06604	18.5
87.00867	7.6
89.02458	88.4
89.03976	86.0
91.05552	6.9
93.03470	3.5
95.01351	7.2
95.05039	8.1
97.02947	5.6
97.06622	8.5
99.00886	5.4
101.02449	37.9
103.05473	3.2
105.03530	3.8
106.04262	12.6
107.05027	14.7
109.02973	3.8
109.06574	3.9
111.04557	18.3
113.02463	33.1
115.05448	4.0
115.07668	12.5
116.08267	3.3
119.03525	32.6
119.05014	18.0
121.02937	4.8
121.06587	4.5
125.06102	20.6
128.10970	3.3
130.04256	5.3
131.05052	4.3
133.06551	4.4
135.04532	4.4
137.06094	9.1
140.80727	3.2
143.05043	7.0
143.07155	46.9
156.05820	10.5
159.04552	11.3
159.08136	43.9
160.05283	10.1
161.04524	7.8
167.07158	13.9
169.06665	5.7
170.07320	7.9
173.06071	6.8
174.06848	5.6
175.11298	3.3
177.09215	5.3
179.05698	4.1
185.09749	51.2
186.10072	5.6
201.09213	3.4
203.10817	16.3
215.10780	36.4
217.12381	6.5
233.11853	53.6
234.12053	4.9
251.16476	5.0
395.10580	3.1
395.16333	5.3
395.20847	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	395.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30237	2.6
52.21990	2.6
53.29693	2.7
58.00610	3.2
59.01388	100.0
65.03963	15.6
67.01894	2.5
69.03470	4.8
69.71815	12.3
71.01392	70.8
72.99303	5.8
73.02934	3.6
81.03473	4.5
83.01396	3.9
83.05042	3.8
85.02971	18.8
85.06596	19.8
87.00889	4.2
88.03203	2.8
89.02458	64.5
89.03979	67.0
90.04314	4.0
91.05531	2.9
93.03482	4.0
95.01409	7.7
95.05076	9.5
97.02957	4.9
97.06615	6.3
101.02454	29.9
106.04266	9.0
107.05070	9.3
109.06610	3.4
111.04520	13.6
113.02468	23.6
115.07671	13.9
117.07115	3.1
119.03540	23.5
119.05055	10.6
121.06622	6.3
125.06095	15.7
130.04282	5.2
137.06108	9.6
143.03522	4.1
143.07176	41.2
149.06042	2.8
156.05850	8.7
158.03796	3.3
159.04555	6.9
159.08173	38.5
160.05176	3.4
160.08540	4.4
161.04623	3.9
167.07169	10.4
169.06601	5.9
170.07443	4.2
173.06119	7.8
174.06917	3.2
179.05597	4.6
185.08266	4.2
185.09741	34.7
186.10103	3.8
203.10786	10.6
215.10762	11.6
221.03787	3.1
233.11862	25.2
234.12210	3.5
288.13239	2.8
343.13818	2.7
361.72748	2.6
395.21030	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	395.1927
Annotation	Creoside IV
Peak:m/z	Relative Intensity
53.71305	0.6
55.01881	7.4
57.03461	6.0
58.00599	3.4
59.01384	84.4
60.01706	0.8
62.65700	0.7
65.18143	0.9
66.10942	0.7
68.98900	1.4
68.99298	6.5
69.03446	2.2
71.01389	79.7
72.01727	1.0
72.99314	4.6
73.02952	23.6
75.00870	1.1
81.03471	1.0
83.00886	0.8
83.01389	16.1
84.65427	0.6
85.02958	35.3
86.00087	2.0
86.03247	1.0
87.00893	5.8
89.02453	40.6
90.02779	0.8
95.01396	3.2
97.02966	3.4
98.21815	1.6
99.00885	10.1
99.08175	1.1
101.02456	76.3
101.09762	0.9
102.02789	2.1
111.00891	8.8
113.02465	25.0
114.02824	0.9
115.04034	2.0
118.03665	0.6
119.03510	1.4
125.02459	5.7
129.01949	1.9
131.03519	29.7
132.03853	1.0
134.87508	0.9
137.02376	0.9
143.03481	4.4
149.04565	9.4
159.03020	3.2
161.03256	1.2
161.04581	21.0
162.04875	0.9
166.74927	0.8
191.05656	1.6
215.05606	1.1
233.06665	3.9
245.13841	1.1
263.15012	100.0
264.15372	7.9
295.81308	0.7
395.19241	54.7
396.19589	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	396.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
56.39988	2.5
59.01095	3.8
59.01383	63.5
62.59546	2.5
68.45724	2.6
70.61239	3.3
70.61563	4.7
71.01389	22.4
72.66377	2.4
72.99314	2.7
73.02951	14.1
75.14182	2.8
83.01393	5.0
85.02956	13.0
87.00880	3.8
89.02442	11.1
95.01392	3.4
99.00890	7.0
101.02454	27.7
104.02706	4.1
113.02441	8.7
119.03542	3.6
126.01653	2.4
128.05098	4.0
131.03749	3.9
135.04541	3.7
144.04556	9.4
146.06137	20.3
146.84216	2.6
148.01680	8.1
160.90208	2.9
161.04541	8.3
174.05615	55.1
175.03984	3.1
175.05875	2.9
176.01170	85.4
177.01567	2.3
177.31108	2.6
191.03517	100.0
192.03879	7.7
216.08850	7.9
223.80609	2.5
226.54865	2.4
235.06110	5.6
235.11778	5.5
337.18686	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	396.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77653	3.9
59.01382	74.8
61.98835	100.0
69.01773	33.9
69.02196	8.9
72.86636	3.5
73.02932	4.3
95.78845	3.7
122.22285	4.6
134.03719	8.1
149.06065	4.3
178.02760	8.1
193.05110	19.1
396.16632	4.4
397.19086	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	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24458	13.4
69.14694	100.0
79.61378	12.2
80.57127	12.4
96.96021	20.9
98.22473	27.6
104.87839	13.7
130.10005	12.6
141.60632	14.2
360.43311	14.0
365.89337	15.4
385.02853	13.9
397.22678	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66253	12.4
55.68649	10.1
58.02712	12.1
60.66852	10.1
69.28498	76.7
85.82128	13.0
96.96024	81.3
98.22633	13.1
112.38422	9.9
165.01137	11.0
397.22778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49540	0.6
55.01880	19.0
57.03451	1.5
59.01384	18.2
68.99845	0.9
69.00555	8.0
71.01385	11.2
72.99278	0.8
73.02946	3.0
79.23983	0.6
83.01395	14.0
84.50943	0.7
85.02946	3.2
87.00900	2.5
89.02472	2.7
99.00887	2.4
101.02434	4.0
111.00903	6.0
112.98825	5.0
113.02452	1.7
115.00357	1.5
115.52360	0.7
119.03492	0.8
124.98795	1.7
126.88611	0.7
127.00362	6.0
129.01929	3.8
135.08278	0.9
137.09753	1.0
142.98840	1.4
142.99870	14.1
145.01456	5.0
154.99883	100.0
156.00235	3.6
173.00958	6.4
179.10802	1.6
181.08784	2.3
197.11797	5.4
198.12337	0.8
217.12363	1.4
218.55023	0.7
235.13576	0.8
241.10808	2.8
283.11938	1.6
320.42120	0.9
397.11392	1.6
399.86401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	7.9
57.03447	2.2
57.91895	1.5
58.00584	2.4
58.02477	1.4
59.01384	100.0
60.01720	2.2
61.98830	3.4
62.06052	1.7
63.12328	1.6
71.01388	70.4
71.26829	2.1
72.01737	1.7
72.99304	5.4
73.02959	24.0
75.00885	3.5
75.54541	1.6
83.01402	18.6
85.02959	31.9
87.00891	7.0
89.02460	23.3
95.01414	2.8
97.02962	2.5
99.00890	14.0
101.02451	84.9
102.02772	2.7
108.02135	2.0
108.04593	3.6
111.00873	3.4
113.02466	25.7
119.03527	6.9
129.01961	2.5
131.03491	1.8
134.03757	1.8
138.27278	1.9
142.22073	2.1
143.03552	4.1
151.03958	1.8
158.71048	1.8
158.89890	1.6
159.03004	5.8
161.04581	25.7
174.05620	3.2
175.03984	4.8
175.06062	2.7
176.01186	4.1
176.04805	7.3
177.01588	4.8
179.24617	1.8
191.03534	6.2
191.05617	2.8
191.07175	3.6
192.03856	5.8
193.05127	3.7
204.58997	2.2
209.04596	3.1
217.05057	2.5
235.06071	13.4
235.11884	50.2
236.12193	2.0
249.07813	2.4
292.15567	1.8
337.18732	20.6
338.19183	2.9
397.12094	1.8
397.17133	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	397.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34469	1.5
55.01889	9.7
57.03455	7.9
58.00594	3.7
59.01386	71.9
60.01691	1.5
71.01389	84.0
71.03398	1.5
72.01712	1.7
72.80141	1.6
72.99308	2.7
73.02957	26.9
83.01399	18.2
85.02957	41.6
87.00881	4.2
89.02457	29.5
95.01383	5.3
97.02958	2.3
99.00909	11.5
101.02456	100.0
102.02805	2.4
111.00858	2.2
113.02470	35.0
119.03510	6.6
125.02522	1.6
131.03484	3.3
143.03496	6.3
149.04558	2.1
159.02972	6.0
161.04572	30.3
163.04117	1.7
173.02490	2.6
179.05667	3.1
191.03629	1.4
191.07129	1.5
192.43536	1.6
198.66487	1.4
235.05995	1.5
235.11880	62.8
236.12286	3.5
265.12903	4.3
397.12067	2.1
397.17148	34.6
398.17746	5.5
424.61063	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	397.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89599	1.5
55.01870	7.8
55.34850	1.8
57.03464	4.5
58.00594	2.0
59.01383	80.0
59.55936	1.6
69.37766	11.1
71.01388	100.0
72.01736	1.6
72.99308	5.8
73.02956	31.6
75.00891	2.9
83.01393	20.1
85.02957	43.1
87.00880	9.7
89.02452	19.1
95.01404	7.6
97.02946	3.3
99.00894	16.6
101.02453	91.4
111.00897	5.0
112.01696	2.0
113.02461	45.5
114.05563	1.8
119.03500	7.5
119.04976	1.7
120.16414	1.9
125.02450	5.3
129.01964	3.2
130.06609	2.5
131.03548	3.1
134.03706	2.0
139.83325	1.7
143.03520	3.9
159.03012	7.7
161.04567	36.5
175.03951	3.4
176.04816	3.7
177.05489	2.0
179.05510	1.8
191.03563	3.7
218.08182	2.0
220.03723	2.5
235.06123	7.7
235.11891	53.2
236.12241	4.5
288.44620	1.9
306.46759	1.9
337.18747	6.8
397.17194	61.6
398.17838	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	397.187
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
50.14756	0.6
57.57814	0.5
58.00588	1.5
59.01385	1.5
59.63431	0.5
68.97829	4.9
68.98240	1.4
71.01382	2.1
73.02952	0.8
79.76099	0.5
85.02976	0.6
87.04508	5.4
88.04871	0.5
91.05607	0.6
95.05028	0.6
113.06096	8.2
131.05045	0.9
137.09769	3.7
155.05049	1.4
161.64641	0.6
165.05571	2.5
176.92018	0.6
181.08704	0.7
189.12862	1.6
190.32243	0.5
191.14409	1.9
217.52863	0.6
219.17619	0.8
242.14395	0.6
243.17505	2.0
257.13007	1.1
257.15488	13.2
258.15784	1.7
261.11337	9.3
261.18665	0.8
262.11667	1.4
263.20123	0.8
271.17148	1.4
273.18637	10.5
274.19022	1.4
275.16565	3.6
289.18109	1.0
291.19781	2.9
309.20804	4.3
317.17517	1.0
335.18686	40.0
336.19019	4.7
353.19809	5.4
361.16568	1.9
379.17682	16.3
380.17929	2.0
397.18704	100.0
398.19064	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	397.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.0
56.53507	1.1
57.03446	4.7
58.00587	2.9
59.01387	100.0
60.01704	1.2
63.42151	1.1
65.03973	6.6
65.30137	1.3
67.82502	1.3
71.01390	85.2
71.27779	1.7
72.01704	1.5
72.99331	6.3
73.02961	6.5
73.12349	1.2
81.03436	1.3
83.01401	7.0
83.05036	2.5
84.20557	1.2
85.02959	26.3
85.06578	1.5
87.00887	7.5
89.02457	68.5
90.35412	1.3
92.83324	1.2
93.03452	2.8
93.07119	2.0
94.24197	1.1
95.01391	8.5
95.05035	3.8
99.00906	2.9
101.02459	32.7
106.04267	5.5
107.05067	6.4
109.06605	2.5
113.02470	43.1
113.06085	1.4
119.03523	19.1
121.06616	5.0
125.02391	1.4
127.00415	1.2
133.06609	4.0
136.05269	1.3
143.03516	3.1
145.06523	1.2
151.07768	1.7
153.09215	1.7
154.99902	6.9
157.06566	1.8
161.04605	3.9
161.09734	14.0
162.06934	1.3
179.05582	2.1
187.11296	7.3
199.11363	1.4
217.12390	10.1
235.13385	17.4
316.12073	1.2
320.30359	1.1
340.44421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
57.03450	7.7
58.00596	5.1
59.01387	95.8
59.11844	2.4
65.03968	7.7
69.03461	2.9
71.01395	100.0
71.26905	2.6
72.99302	5.7
73.02959	6.2
76.11992	2.7
83.01403	10.5
85.02961	30.8
85.06589	8.2
87.00903	5.9
88.43050	2.6
89.02460	79.9
91.05552	10.0
95.01415	8.9
95.05053	6.0
98.22553	6.4
99.00892	4.4
101.02460	33.7
106.04263	18.2
107.05052	8.9
113.02462	44.8
115.07653	5.4
119.03522	28.8
119.05013	2.5
120.06902	2.5
121.06632	6.9
125.06099	6.1
131.03552	4.6
132.05820	3.2
143.07152	14.8
154.99887	19.1
159.08174	3.5
161.09724	20.6
179.29361	2.8
187.11385	5.5
208.92090	2.6
217.12407	8.1
235.13402	20.2
397.22168	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	397.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
57.03448	2.8
58.00584	3.8
58.20422	1.2
59.01384	100.0
65.03966	2.2
65.96364	1.3
68.94085	1.2
71.01389	67.2
71.27290	2.0
72.99308	5.1
73.02966	6.1
74.85957	1.4
80.81284	1.2
83.01406	6.7
83.05029	3.7
85.02959	14.4
87.00869	6.0
89.02456	61.8
95.01412	5.8
95.05042	9.4
99.00893	3.5
101.02460	35.7
106.04252	2.0
109.06575	1.8
111.00872	2.7
113.02466	23.0
119.03516	24.1
119.05008	2.9
121.06629	8.6
127.00402	1.4
129.01953	4.8
131.03493	2.0
143.03558	1.9
147.93878	1.1
153.96956	1.1
154.99879	7.8
161.04604	2.1
179.05598	3.3
199.11357	2.7
217.12347	12.5
235.13306	3.3
285.13562	2.4
290.10721	1.2
349.42099	1.3
379.18036	2.0
397.18884	14.2
398.19162	2.8
418.01672	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	397.1872
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
51.55700	3.8
55.01888	8.0
57.03434	7.9
58.00589	5.6
59.01142	5.1
59.01391	58.3
62.14682	3.9
65.03957	6.0
69.03459	4.0
69.14254	34.3
71.01392	100.0
73.02956	18.7
74.66902	3.5
81.03473	7.3
81.22363	4.0
83.01409	11.5
83.05028	14.5
85.02962	38.9
85.06640	5.8
89.02456	42.4
91.12280	3.5
95.01415	11.0
95.05038	5.7
99.00896	10.9
101.02464	45.9
103.51854	4.1
107.05039	4.2
109.06602	4.9
113.02472	53.2
113.06136	6.8
119.03486	11.3
121.06605	20.1
123.08148	4.1
123.17352	4.4
154.99899	29.0
155.06261	3.7
159.02994	4.7
161.04532	21.7
185.54826	4.3
187.11380	6.6
199.80548	3.7
217.12413	18.9
235.13390	65.5
236.13528	6.5
397.17432	7.3
398.19470	7.9
404.79053	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58812	0.3
55.01886	3.5
57.03454	11.9
58.00594	1.2
59.01386	22.8
60.01711	0.5
67.01892	0.5
68.99815	0.7
69.03458	2.3
69.06004	3.0
71.01389	86.6
71.05031	4.4
72.01731	1.8
72.02067	0.3
72.99319	2.0
73.02956	10.4
74.03296	0.4
75.00871	0.7
81.03464	8.1
83.01395	7.7
83.05032	0.6
84.02171	3.5
85.02961	62.0
86.03293	0.8
87.00895	4.7
87.04518	0.5
89.02456	17.2
95.01398	19.4
96.01725	0.5
97.02955	2.2
98.21833	0.8
99.00893	6.6
99.04531	7.1
99.05193	0.4
101.02454	17.3
101.26809	0.3
102.02821	0.5
104.14989	0.3
105.94040	0.3
107.05035	0.4
111.00908	0.7
112.01702	1.8
113.02462	100.0
114.02801	2.6
114.17780	0.3
115.04054	0.5
118.19982	0.3
119.03533	4.3
124.01669	0.8
125.02470	1.9
129.02014	0.5
131.03493	0.6
135.11882	0.4
139.00369	1.1
143.03537	2.3
145.01381	0.4
147.02975	0.5
147.11829	0.6
153.12859	0.5
161.04587	4.0
162.04883	0.3
179.05698	0.4
181.12358	0.6
192.55037	0.3
217.15900	0.4
235.16986	0.4
253.18100	1.1
256.63922	0.3
297.16833	0.4
297.29089	0.3
317.08789	0.3
325.16522	0.9
397.22397	12.6
398.22363	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	397.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58812	0.3
55.01886	3.5
57.03454	11.9
58.00594	1.2
59.01386	22.8
60.01711	0.5
67.01892	0.5
68.99815	0.7
69.03458	2.3
69.06004	3.0
71.01389	86.6
71.05031	4.4
72.01731	1.8
72.02067	0.3
72.99319	2.0
73.02956	10.4
74.03296	0.4
75.00871	0.7
81.03464	8.1
83.01395	7.7
83.05032	0.6
84.02171	3.5
85.02961	62.0
86.03293	0.8
87.00895	4.7
87.04518	0.5
89.02456	17.2
95.01398	19.4
96.01725	0.5
97.02955	2.2
98.21833	0.8
99.00893	6.6
99.04531	7.1
99.05193	0.4
101.02454	17.3
101.26809	0.3
102.02821	0.5
104.14989	0.3
105.94040	0.3
107.05035	0.4
111.00908	0.7
112.01702	1.8
113.02462	100.0
114.02801	2.6
114.17780	0.3
115.04054	0.5
118.19982	0.3
119.03533	4.3
124.01669	0.8
125.02470	1.9
129.02014	0.5
131.03493	0.6
135.11882	0.4
139.00369	1.1
143.03537	2.3
145.01381	0.4
147.02975	0.5
147.11829	0.6
153.12859	0.5
161.04587	4.0
162.04883	0.3
179.05698	0.4
181.12358	0.6
192.55037	0.3
217.15900	0.4
235.16986	0.4
253.18100	1.1
256.63922	0.3
297.16833	0.4
297.29089	0.3
317.08789	0.3
325.16522	0.9
397.22397	12.6
398.22363	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	397.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35154	0.5
55.01886	7.4
57.03455	8.2
58.00611	2.7
58.40898	0.5
58.99594	0.8
59.01383	45.7
60.01723	0.6
67.01883	0.7
68.99798	0.7
69.03467	2.3
69.18015	0.4
71.01389	100.0
71.05033	0.5
71.27851	0.9
71.49957	0.5
72.01727	2.0
72.99309	4.5
73.02953	12.7
75.00887	0.9
81.03482	2.2
83.01396	9.7
83.05037	1.9
84.01745	0.5
84.02198	1.5
85.02959	56.8
85.06627	0.5
86.00108	0.9
86.03302	1.1
87.00881	6.0
89.02455	36.1
90.02803	0.5
93.03485	0.9
95.01396	17.2
95.05026	1.4
96.96046	0.5
97.02975	2.2
97.06594	6.7
99.00891	8.0
99.03931	0.5
99.04542	2.1
100.01173	0.5
101.02451	29.5
102.05656	1.5
102.98589	3.4
109.06577	0.5
111.00917	1.0
111.04523	2.0
113.02464	94.5
114.02807	3.0
119.03510	10.9
119.05039	0.9
121.03002	0.8
121.06602	0.8
123.08199	1.1
124.98838	0.6
125.02468	1.0
127.00348	1.2
128.03542	1.7
129.01965	1.0
131.03523	1.2
139.00343	1.2
142.99910	0.7
143.03552	3.1
145.01387	0.6
146.04546	0.7
147.03008	0.6
147.11832	0.8
149.09769	5.7
152.98358	0.6
154.99887	16.5
157.69191	0.5
159.03020	0.8
161.04587	8.6
161.88849	0.5
167.10750	1.4
179.05611	0.8
179.10780	0.6
187.11224	0.6
189.09209	0.6
196.61665	0.5
209.56314	0.5
215.10719	0.6
233.11774	1.2
235.13304	1.2
235.16986	1.7
241.10808	0.7
294.84601	0.5
311.14896	0.6
355.12048	1.4
367.21368	0.8
397.22641	5.2
398.18127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70140	0.9
50.98114	0.8
55.01884	3.2
59.01381	1.8
64.39130	1.1
69.03460	2.8
70.30994	1.7
70.31325	1.1
70.66913	0.9
71.01396	3.4
72.99319	28.5
75.00889	8.3
81.03471	37.3
82.03783	1.1
85.02957	7.1
87.00898	3.4
91.84530	0.9
97.02975	3.1
97.07797	0.8
99.00895	24.9
113.02494	8.0
117.01989	5.6
125.02466	100.0
126.02830	2.9
129.01987	4.8
129.33693	0.9
130.08699	1.1
131.03540	3.2
133.76181	1.0
134.03775	4.2
143.03540	13.4
147.02998	3.3
161.04585	5.1
169.01387	2.9
193.05128	1.4
193.93558	1.0
205.03555	91.5
206.03944	3.7
223.04605	30.8
224.05077	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02480	1.8
56.06746	1.7
59.01381	1.5
69.03459	2.5
70.19293	6.9
70.74805	1.8
71.01389	6.2
72.99326	25.2
75.00879	6.2
75.07887	1.6
81.03470	34.1
85.02980	6.5
87.00918	2.0
95.92323	1.8
99.00902	21.3
100.02729	2.1
108.68293	1.8
113.02480	7.2
117.01972	3.6
125.02477	95.5
126.02834	2.6
129.01967	12.2
131.03510	2.2
134.03745	5.1
143.03514	13.6
147.03027	4.4
161.04584	4.1
169.01466	2.9
183.55452	1.5
200.76865	2.0
205.03566	100.0
206.03938	4.7
223.02451	3.5
223.04630	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71191	1.0
55.01871	3.7
59.01378	2.2
68.89680	0.9
69.03458	3.7
70.62721	2.1
71.01391	4.0
72.99315	25.9
75.00860	5.3
81.03465	24.9
82.03784	1.0
85.02970	6.5
87.00868	2.2
99.00891	20.6
104.30182	1.0
111.99573	1.0
113.02477	7.7
117.01953	3.5
125.02460	69.9
126.02782	2.9
129.01959	11.9
131.03497	3.3
134.03745	3.5
143.03503	9.8
147.03023	4.5
161.04578	3.3
165.17741	1.0
169.01418	1.9
174.51222	0.8
181.33902	0.9
187.02565	1.3
193.05058	2.1
200.86301	0.9
205.03555	100.0
206.03839	3.4
223.04610	52.5
224.04904	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	399.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
57.03438	1.8
59.01373	1.7
69.03471	2.8
69.64066	4.8
71.01402	3.9
72.99314	33.4
75.00879	6.7
81.03474	29.2
81.16516	1.0
85.02963	15.0
87.00884	3.5
97.02959	2.3
99.00894	22.5
113.02453	8.4
113.45975	1.2
117.01953	3.9
125.02465	85.2
125.66335	1.0
126.02792	3.0
128.96916	1.2
129.01959	21.2
131.03534	3.4
134.03769	9.0
143.03500	13.1
147.03014	9.0
157.40936	1.0
161.04581	4.6
169.01436	2.4
187.02431	1.2
193.05080	2.2
205.03557	100.0
206.03902	5.1
223.04605	65.7
224.04922	3.4
227.77338	1.2
266.30554	1.2
386.20154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14557	1.5
54.48812	1.2
55.01876	1.5
57.03442	1.9
59.01372	6.4
60.30500	1.3
65.78243	1.2
69.03441	1.8
71.01385	5.2
72.99315	32.8
75.00878	6.4
80.91891	1.3
81.03472	30.0
85.02965	12.7
87.00877	3.1
89.02455	3.6
97.02976	4.0
99.00898	25.9
101.02423	2.3
105.03478	1.7
113.02464	10.3
117.01966	3.2
119.03526	1.8
125.02465	91.9
126.02803	2.8
129.01961	27.7
131.03517	2.0
134.03764	8.1
135.41219	1.4
143.03505	14.5
147.03024	8.6
161.04567	4.2
169.01479	1.7
173.06056	2.6
193.04997	1.7
205.03564	84.4
206.03877	4.3
219.06743	1.9
223.04620	100.0
224.04953	5.2
399.13220	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	399.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12651	2.1
55.01892	4.6
57.03458	5.3
58.00594	4.0
59.01389	100.0
64.28419	2.0
64.75034	2.7
66.25624	2.2
67.01887	3.3
68.99832	2.4
69.03453	4.7
69.86852	2.0
71.01393	62.1
72.55856	2.1
72.99311	5.3
73.02957	10.6
73.76224	2.2
75.00874	3.4
80.39928	2.4
83.01399	5.5
85.02969	43.2
87.00879	12.6
89.02459	23.6
91.05553	32.6
93.03500	3.1
95.01397	8.7
98.21721	5.0
99.00897	3.7
101.02454	43.4
110.11182	2.3
111.00902	4.8
112.01617	2.7
113.01745	4.1
113.02479	55.4
113.03279	3.1
116.77107	2.3
117.03471	9.2
119.03497	6.4
121.03001	4.9
125.02493	2.6
129.01978	6.3
135.02995	4.6
135.04538	35.4
137.25133	2.2
139.00432	2.3
143.03531	2.4
159.03009	2.6
160.08949	5.0
161.04582	25.6
175.11313	9.8
175.58374	1.9
179.05705	3.0
180.47131	2.1
190.43852	2.3
199.20454	2.0
205.07184	7.6
219.10344	14.9
229.03400	2.4
249.06163	4.4
251.11378	74.7
252.11588	3.0
263.07745	21.2
281.08795	51.2
399.12390	18.9
399.16983	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	399.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	66.3
58.03773	1.7
59.01387	20.1
61.98837	2.6
69.03472	2.6
70.77571	3.2
70.77912	2.3
71.01384	8.6
72.99313	17.2
73.02945	3.5
75.00883	4.3
81.03467	18.7
82.80806	1.5
83.01371	1.9
85.02957	5.2
87.00880	7.4
89.02463	2.7
99.00883	13.4
101.02478	5.0
107.05056	2.1
113.02462	4.7
119.05038	2.4
121.02962	16.2
123.04531	1.6
125.02469	53.1
126.02822	3.4
129.01981	4.8
133.06369	1.6
134.03763	7.0
135.04585	2.1
139.72617	1.4
143.03519	9.0
149.06078	12.0
159.04562	3.0
160.05305	17.7
161.04562	3.3
162.03241	36.1
163.03967	3.5
169.01466	1.6
175.07666	33.4
177.05602	31.0
178.06363	22.9
191.05620	2.2
193.05115	7.0
193.08714	100.0
194.09065	5.4
201.07680	4.7
205.03542	38.9
206.03929	2.3
220.06032	1.5
223.04611	19.6
237.04068	7.7
237.07747	5.3
241.43333	1.6
280.45447	1.5
281.13943	8.2
399.13080	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	399.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	20.8
56.10308	0.5
56.97293	0.6
57.03455	0.6
59.01386	9.7
63.67122	0.6
69.22350	0.6
69.23109	3.6
71.01385	5.8
73.02944	2.4
83.01393	10.1
85.02960	2.7
87.00878	2.6
89.02446	0.7
91.31696	0.6
93.03449	1.4
99.00873	1.1
101.02454	3.4
109.03000	0.9
111.00915	2.0
112.98815	1.7
113.02445	1.7
117.01928	0.9
125.91695	0.6
127.00379	2.1
129.01949	1.5
133.03009	0.9
135.04544	1.4
139.11302	2.3
147.03041	0.6
154.99884	100.0
156.00198	3.3
173.04576	1.2
179.03583	0.6
181.12354	1.7
182.12611	0.6
183.10278	2.5
191.05661	4.6
199.13461	1.4
243.12407	5.8
255.03073	2.2
279.29630	0.8
283.02509	1.1
285.04062	4.3
287.14938	0.7
351.07187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21383	1.0
55.01884	20.9
57.03435	2.9
59.01384	36.0
69.48475	6.1
71.01387	27.9
71.46475	0.9
72.99299	2.7
73.02967	5.7
75.00866	3.2
83.01392	9.0
85.02504	1.0
85.02967	13.2
87.00879	5.2
89.02451	18.9
93.03457	2.5
95.01378	4.2
99.00885	3.1
101.02467	12.5
101.06078	2.2
108.02188	63.6
109.03005	12.1
111.00890	4.6
113.02467	21.3
115.00409	1.1
117.01912	2.2
119.03522	7.1
123.00961	1.1
125.02467	1.2
127.00372	2.9
129.01956	5.8
135.03003	2.0
135.04573	1.9
139.11279	1.1
143.03497	1.3
149.06070	2.7
152.01173	35.5
152.02386	1.8
153.01971	12.4
154.99886	100.0
156.00146	3.9
161.04578	2.3
167.06110	1.7
168.53316	1.1
173.00833	1.8
173.04564	5.1
181.12375	1.3
183.10239	3.1
191.05569	2.6
204.01222	1.1
207.13795	2.0
209.07262	1.1
225.14813	1.2
243.12381	5.5
251.12938	1.0
255.02927	3.3
256.03720	1.2
269.13910	1.5
278.09372	1.6
283.02463	2.5
284.03189	2.5
285.03925	3.1
340.09457	1.7
348.29703	1.0
399.12869	39.2
399.24283	2.2
400.13290	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	399.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54697	1.6
55.01884	7.8
57.03443	6.1
58.00580	3.7
59.01384	82.4
61.98835	1.7
69.12292	4.8
69.12698	7.9
71.01389	87.9
72.99315	10.0
73.02950	25.3
75.00888	3.8
81.03475	4.6
83.01398	17.8
85.02959	42.5
87.00877	4.5
89.02454	35.4
89.12011	1.6
92.96039	2.2
95.01396	6.8
97.02960	4.2
99.00888	11.8
101.02452	94.3
102.02812	1.6
103.04022	2.2
113.02467	36.4
117.00433	8.1
119.03517	13.9
125.02433	13.0
129.01936	2.2
130.06644	2.9
130.08772	7.3
131.02036	10.4
131.03508	2.9
143.03508	8.2
145.03548	2.1
149.06085	3.4
159.01508	6.0
159.03030	5.9
161.04559	38.7
165.05605	1.9
167.32330	1.7
169.00024	1.8
170.97931	1.9
173.03081	2.4
179.05614	7.4
205.03540	9.9
211.01038	3.1
213.00958	2.1
217.00404	2.5
220.06155	2.3
223.04564	5.1
230.08798	4.4
237.04167	4.0
237.09807	100.0
238.07468	2.2
238.10179	5.7
255.08476	2.2
258.08371	4.4
259.01669	4.7
273.03366	8.1
274.03482	2.6
287.04678	6.4
294.99902	6.6
310.99197	2.0
341.02332	2.6
363.12820	1.9
371.03265	3.6
372.03384	2.1
399.15125	73.7
400.15482	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	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52375	0.4
57.03434	0.8
59.01386	100.0
60.01706	1.1
62.29737	0.5
69.26601	2.3
69.27015	1.7
71.01383	3.4
73.02918	1.4
83.01403	1.0
85.02953	1.6
87.00868	1.2
89.02435	1.2
99.04471	0.5
101.02452	1.9
112.04074	0.5
113.02452	1.8
114.01971	0.7
119.03511	0.6
131.04654	0.7
161.04514	1.1
163.68652	0.6
165.42580	0.5
177.09131	0.7
191.05612	2.1
195.10298	2.3
284.15201	0.8
285.13486	0.5
287.15027	0.6
339.14545	1.4
356.18231	0.5
357.15591	0.8
399.17490	2.3
400.16409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57148	1.2
51.58954	1.1
57.03458	8.4
59.01384	27.9
60.98679	1.4
68.29395	1.2
69.34267	8.8
71.01373	4.7
72.99333	1.5
73.02959	2.0
75.00883	2.2
76.65515	1.2
81.03471	2.0
83.01413	1.6
83.05042	8.6
85.02974	8.7
87.00892	8.6
89.02429	1.5
90.87914	1.2
93.03450	2.7
95.05057	2.3
99.00925	1.7
101.02469	1.7
107.05045	1.8
109.02975	1.9
111.00876	2.0
111.04543	2.1
111.08177	1.7
121.06602	4.6
123.04545	2.7
123.08180	17.9
125.02457	5.5
129.01936	2.6
134.03783	3.2
135.03006	4.3
137.09727	4.5
138.06813	1.7
139.07648	3.1
143.49403	1.3
145.10277	2.8
151.07716	2.3
155.98904	2.1
161.04520	2.0
162.03244	61.3
163.03566	3.6
165.06699	1.3
169.10213	1.4
171.11806	14.2
177.05585	74.2
178.05934	3.9
189.12866	4.4
191.05656	3.3
195.06677	2.8
201.12894	3.2
205.03596	2.3
207.13863	2.4
219.13890	1.6
223.04572	2.2
237.14993	14.9
238.15271	1.9
281.13974	100.0
282.14285	9.7
292.35931	1.3
298.15662	1.3
399.16745	21.3
400.17108	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	399.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
57.03445	4.3
58.00604	3.8
59.01386	77.0
71.01392	100.0
72.01726	3.7
72.99314	10.1
73.02959	21.3
75.00881	3.4
83.01395	11.7
83.05028	3.7
85.02959	41.2
85.06657	3.9
87.00880	6.5
89.02458	52.6
95.01396	6.7
97.03004	2.3
97.06597	17.0
98.22543	6.8
99.00911	11.5
101.02458	51.7
109.06631	4.0
113.02462	42.3
119.03534	21.2
125.02438	4.1
125.06123	3.0
127.07677	6.8
129.09230	2.7
133.31224	2.2
139.07640	2.8
145.08710	3.7
153.84738	2.6
154.99883	4.2
159.02917	3.7
161.04565	12.1
175.42760	2.1
205.03519	3.1
219.13875	4.6
223.04597	3.0
237.14859	3.6
368.78146	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	399.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
57.03445	4.3
58.00604	3.8
59.01386	77.0
71.01392	100.0
72.01726	3.7
72.99314	10.1
73.02959	21.3
75.00881	3.4
83.01395	11.7
83.05028	3.7
85.02959	41.2
85.06657	3.9
87.00880	6.5
89.02458	52.6
95.01396	6.7
97.03004	2.3
97.06597	17.0
98.22543	6.8
99.00911	11.5
101.02458	51.7
109.06631	4.0
113.02462	42.3
119.03534	21.2
125.02438	4.1
125.06123	3.0
127.07677	6.8
129.09230	2.7
133.31224	2.2
139.07640	2.8
145.08710	3.7
153.84738	2.6
154.99883	4.2
159.02917	3.7
161.04565	12.1
175.42760	2.1
205.03519	3.1
219.13875	4.6
223.04597	3.0
237.14859	3.6
368.78146	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65203	0.3
55.01882	3.1
57.03454	11.6
58.00592	0.8
58.99593	0.3
59.01389	13.6
61.29858	0.2
67.01900	0.7
68.99820	0.7
69.03468	3.1
71.01390	69.8
71.05016	0.7
71.27000	0.3
72.01730	1.3
72.02174	0.6
72.99314	2.5
73.02955	9.4
74.03296	0.3
75.00882	0.4
79.84308	0.2
81.03465	0.6
83.01395	13.1
83.05033	0.3
84.02184	1.7
85.02961	62.9
86.00107	0.5
86.03301	1.0
87.00893	3.6
87.04524	31.6
88.04872	0.7
89.02457	9.0
95.01400	18.3
96.01753	0.3
97.02962	1.9
99.00891	13.2
100.01174	0.5
101.02457	11.5
101.06126	0.3
102.02776	0.6
102.98596	0.5
103.02258	1.6
111.00879	0.4
112.01699	1.7
113.02464	100.0
114.02789	3.0
115.03989	0.3
118.01470	0.2
119.03531	0.8
123.08179	0.4
124.01698	0.5
125.02471	2.1
125.09769	0.5
129.01971	0.7
131.03577	0.5
139.00375	1.5
139.11305	0.4
143.03520	3.1
147.04868	0.6
147.08212	0.7
149.13322	0.6
151.11333	0.2
151.21309	0.3
159.03012	0.8
160.03795	0.7
161.04568	5.7
162.04901	0.4
165.09216	0.3
167.14441	1.4
169.12355	1.6
179.14439	2.4
180.14748	0.3
183.13875	1.6
185.15495	1.7
187.02519	0.3
197.15439	0.4
205.03535	0.6
219.17598	0.3
223.04759	0.3
229.14407	0.5
233.15515	0.5
255.19672	3.6
256.20184	0.3
263.42786	0.2
269.12250	0.3
286.87390	0.2
311.18768	0.5
357.13727	0.6
369.22668	0.3
397.22260	0.3
399.23904	31.4
400.24249	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	399.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46199	0.4
55.01884	5.9
57.03454	8.6
57.58125	0.4
58.00602	9.0
59.01388	19.1
64.11762	0.5
65.12963	0.5
67.01884	0.8
68.99833	1.2
69.03460	7.3
71.01391	61.7
71.05027	8.7
72.01714	1.3
72.02168	0.5
72.99301	2.3
73.02957	22.5
73.06590	1.0
74.03300	0.5
81.03465	1.8
83.01400	17.7
83.05044	2.8
84.01693	0.6
84.02188	0.6
85.02962	26.9
85.06589	1.9
86.00108	6.5
86.03294	0.6
87.00889	7.1
87.04527	36.3
88.04839	0.5
89.02450	7.4
95.01398	12.1
97.02959	5.8
97.06599	0.4
97.77737	0.5
98.21623	1.0
99.00891	12.6
99.04530	1.9
100.01682	1.5
101.02457	49.7
101.06093	100.0
102.02802	1.2
102.06468	2.4
111.00897	10.5
112.01681	7.5
113.02466	42.2
113.06081	1.0
114.02733	1.0
115.04025	0.9
116.01149	0.5
119.03510	1.8
123.08098	0.5
124.01688	3.4
125.02467	9.7
125.06090	0.6
125.09695	0.6
139.07663	0.5
139.11259	0.7
141.01944	1.5
142.02696	2.6
143.03519	6.1
149.09683	0.7
149.13405	0.7
155.07115	0.6
160.03786	1.6
161.04601	3.9
165.12836	1.4
167.14442	2.5
169.12378	2.9
177.12889	0.6
178.04851	1.3
179.14453	4.7
180.79953	0.5
183.13962	2.1
185.15509	4.6
195.13873	2.3
211.17046	1.0
227.16536	1.1
229.93692	0.6
235.17053	1.0
237.18655	2.3
255.19696	12.2
256.20059	0.9
279.19742	0.9
293.17828	0.7
295.19287	0.5
297.20743	21.2
298.21042	2.0
321.20535	0.5
325.20123	0.5
329.19772	1.3
351.21796	1.4
363.21713	1.8
375.64099	0.5
381.22714	3.5
399.23904	41.4
400.24350	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	399.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.9
57.03450	7.1
58.00563	2.2
59.01382	45.9
63.49104	2.0
63.88523	2.3
69.12438	2.0
69.58292	7.4
69.58704	2.8
71.01391	100.0
72.99323	2.1
73.02948	24.2
75.00873	3.8
83.01398	12.1
83.42543	1.8
85.02959	30.7
87.00898	4.8
87.51810	2.2
89.02461	34.0
93.03479	3.1
95.01378	7.6
95.42674	1.8
97.02959	3.6
98.21884	2.9
99.00890	11.1
101.02448	51.7
102.02785	3.8
107.01395	3.3
111.00881	2.4
113.02457	37.7
119.03503	14.8
125.02451	3.7
130.94203	2.3
137.02460	8.2
143.03523	5.0
145.46681	2.4
151.00357	8.0
159.02992	7.0
161.04573	29.4
201.09157	2.9
229.08626	2.5
309.04065	5.6
381.09772	30.7
382.10065	5.1
398.97867	3.8
399.10901	3.0
399.23941	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	399.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85267	1.3
55.01876	4.4
57.03441	3.4
58.00623	2.4
59.01387	100.0
60.67618	1.0
65.00336	1.8
68.97160	12.2
71.01389	96.4
72.99309	6.8
73.02956	12.4
74.15224	1.1
75.00859	1.0
77.77690	1.1
77.84538	1.2
81.11573	1.3
83.01397	6.7
85.02961	31.0
87.00893	4.9
89.02457	75.6
95.01382	6.0
97.02969	1.3
99.00882	4.7
99.96743	1.1
101.02455	61.3
102.02754	1.2
107.01368	1.1
111.00890	1.4
113.02465	37.1
119.03516	32.2
120.03879	1.6
125.02448	2.6
131.03528	2.7
137.02405	1.1
143.03500	4.3
149.04585	1.6
151.00381	3.3
151.19539	1.3
159.02979	3.3
159.82147	1.2
161.04585	19.9
179.05626	3.5
201.09203	1.6
205.03438	2.5
257.08264	1.1
285.04272	1.5
298.70532	1.2
309.04135	3.1
381.09827	19.5
382.10129	1.8
399.15247	1.6
399.23962	8.9
400.24414	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	400.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00519	1.3
59.01392	13.7
70.79286	3.1
71.01393	15.6
72.14138	1.2
72.99316	23.4
78.12000	1.3
89.02462	4.3
92.05079	6.1
101.02457	3.9
119.03529	4.5
120.04550	2.2
128.05090	20.7
130.06644	100.0
131.03757	6.6
131.06996	6.3
133.06604	2.3
144.04538	3.1
146.06140	32.1
148.04056	4.8
148.07713	3.6
154.88687	1.3
158.06111	19.9
159.06447	1.9
172.04042	4.4
174.05632	4.0
176.07201	32.5
176.08736	1.6
177.07587	1.8
213.43748	1.6
220.06165	63.6
221.06519	5.2
272.80850	1.5
400.12518	87.3
401.13000	8.9
409.68637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01136	1.4
59.01385	16.7
69.52789	6.8
71.01383	16.4
72.99315	24.8
85.02944	1.9
89.02468	7.4
92.05066	9.5
98.21785	2.5
101.02452	4.7
119.03481	2.9
120.04554	3.8
120.08215	1.9
128.05077	20.5
130.06641	97.7
131.03778	9.1
131.06960	5.5
133.06622	2.0
134.60788	1.5
144.04561	3.5
146.06149	32.2
148.04051	6.2
148.07672	1.8
155.91899	1.4
158.06152	19.0
159.06389	2.0
172.04050	3.7
174.05615	4.3
176.07182	43.0
220.06157	64.0
221.06470	6.2
245.25011	1.4
400.12521	100.0
401.12796	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	400.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53314	14.5
59.01369	48.9
61.98828	14.1
62.99345	16.3
66.11711	15.7
69.16502	37.9
69.16916	100.0
70.91990	17.8
79.62936	21.9
93.27528	14.4
97.02849	15.8
101.02499	28.5
108.58401	17.0
109.72755	15.9
121.02993	27.6
137.17767	16.6
150.38664	15.6
152.03288	15.6
152.98538	16.0
181.06581	17.7
242.12509	16.1
357.10300	16.2
401.08948	30.6
407.97574	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	400.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43532	9.5
57.03450	12.0
59.01387	98.9
59.48315	10.1
67.19508	8.9
69.05787	77.5
71.01379	49.2
72.35224	9.6
73.02934	10.9
80.17777	8.8
85.02952	26.9
86.64276	8.8
89.02451	16.6
89.04750	9.2
91.04025	12.7
101.02459	21.7
113.02449	26.7
116.07223	11.5
121.02982	100.0
167.14421	11.2
221.11952	10.8
247.16890	9.5
269.59494	9.6
278.70471	9.6
279.94202	9.5
313.07214	28.8
327.21802	76.2
382.10117	25.1
400.24371	11.1
401.08862	33.7
401.25598	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	401.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19946	0.8
51.64052	0.7
55.01870	1.0
57.03456	1.1
59.01383	21.1
71.01383	14.2
71.27963	0.8
71.28316	1.2
72.99338	1.0
73.02945	3.6
74.02458	1.4
75.00906	1.9
81.03515	1.1
83.01377	1.8
85.02972	4.7
87.00895	1.4
89.02456	7.9
95.01431	0.8
96.96010	4.4
99.00891	60.4
100.01240	1.8
101.02445	7.3
111.00865	1.0
113.02451	4.6
119.03522	2.7
121.02972	100.0
122.03311	3.7
129.01964	1.1
130.08727	1.6
131.03490	1.5
135.03011	1.0
143.11903	1.3
151.11159	0.8
161.04605	5.4
161.05833	1.0
173.01312	1.6
179.10841	1.9
191.05626	1.4
209.83745	0.8
216.36162	0.8
218.39722	0.8
221.11865	4.1
223.02965	2.5
237.08208	0.7
239.06075	2.4
261.06161	6.4
269.10281	3.2
283.05167	1.4
283.11694	2.0
285.13458	1.3
341.08972	1.7
347.87555	0.9
357.21701	1.0
359.10239	0.8
366.16895	1.6
383.33133	0.8
394.86816	0.8
401.14606	1.8
401.18521	1.9
402.17764	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	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76225	2.6
54.39929	2.7
59.01390	18.3
61.98826	2.9
69.64676	14.2
70.02973	2.6
71.01376	11.1
73.02953	4.8
83.91090	2.5
85.02930	6.6
87.00884	72.9
89.02447	4.9
89.04738	2.5
95.61903	2.4
97.02956	3.1
98.22455	4.0
101.02452	5.1
113.02464	3.8
123.00908	6.0
125.32584	2.5
129.24011	2.7
131.03470	3.3
134.49432	2.9
135.04547	7.4
137.02425	3.1
137.71817	2.9
149.02419	6.5
151.00380	8.0
151.03897	2.6
154.99736	3.0
161.02443	11.6
163.04030	32.3
164.04802	27.7
165.05562	8.2
166.02692	10.3
173.02509	3.3
175.03952	6.4
176.04781	11.4
177.01910	4.5
177.05635	2.8
178.06357	29.1
179.03572	14.9
179.07137	51.5
181.05083	13.8
188.04788	3.1
190.02728	4.4
191.03517	27.7
191.07167	7.6
192.04271	3.9
193.05045	13.3
193.08673	6.6
194.05859	10.4
194.13582	2.6
203.03482	7.9
204.04230	3.7
205.05055	9.2
206.05833	10.0
207.02846	3.0
207.06648	5.7
208.07487	3.0
209.08267	13.0
218.05864	7.6
219.02986	8.1
220.03624	4.0
221.04518	7.8
221.08189	11.8
231.03105	3.8
233.04477	3.2
234.05365	5.4
237.07741	5.6
238.05125	3.1
239.05640	3.8
239.09293	4.5
246.05099	3.0
247.02428	7.0
247.06224	5.0
249.07719	9.8
250.04755	3.5
251.09277	6.0
257.54822	2.6
262.04932	14.1
265.07199	87.7
266.07431	3.2
277.07211	33.6
278.07489	3.9
289.85956	2.7
295.08258	98.8
296.08640	6.8
303.93140	2.8
325.09256	3.9
337.09256	5.2
355.10550	25.2
383.09933	14.0
401.10861	100.0
401.15982	6.6
402.11218	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1457
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
51.56381	0.9
55.01881	7.7
57.03456	5.4
58.00588	2.7
59.01386	78.6
62.92443	1.2
69.03441	3.2
69.45438	3.3
69.45851	1.8
71.01389	100.0
72.01753	1.3
72.99313	5.6
73.02956	28.9
75.00854	1.3
80.16766	0.8
81.03453	1.4
83.01403	14.8
85.02962	41.5
86.00095	1.1
87.00879	4.3
89.02454	50.2
92.36766	0.9
95.01402	5.1
97.02974	5.7
99.00899	11.2
101.02456	74.5
102.02799	1.1
104.14868	1.0
111.00891	12.2
113.02465	32.6
115.03986	2.7
115.51192	0.9
119.03477	2.0
125.02460	7.3
129.01953	1.4
131.03522	29.5
132.03889	1.2
143.03514	8.0
149.04567	13.2
159.02954	6.1
161.04575	37.3
162.04823	1.0
191.05687	1.8
205.03529	1.6
215.05600	1.2
231.60490	1.0
233.06636	9.2
251.09264	2.5
269.10330	67.8
270.10669	4.6
293.09061	1.7
401.14575	50.4
402.14795	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.6
59.01387	53.4
60.01733	1.1
65.42116	1.1
71.01392	16.9
71.05025	1.3
73.02956	4.0
83.01406	1.8
83.05034	7.0
85.02969	3.2
87.00893	7.8
89.02471	2.2
97.06634	1.9
97.72060	1.2
98.21803	4.6
101.02469	2.8
109.06638	1.4
111.00872	1.9
111.04537	8.2
113.02432	2.3
115.00388	19.6
123.08160	2.1
123.30052	1.2
124.21861	1.1
133.01456	2.5
137.37233	1.0
139.11328	3.3
153.47438	1.1
157.01443	3.9
157.82117	1.2
163.11345	4.3
165.09291	2.8
175.02478	3.9
179.10872	1.4
181.12378	4.2
181.51558	1.0
183.10303	2.7
197.11832	4.9
199.13533	1.8
205.12416	1.3
207.10242	1.8
223.13412	7.5
225.11327	22.6
229.08540	1.2
243.12445	7.7
267.12482	2.1
283.11676	1.6
283.15530	1.9
285.13467	100.0
286.13828	9.8
349.03888	1.1
401.13943	8.4
401.18759	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32740	1.3
56.28669	1.5
56.29366	1.5
59.01387	100.0
61.98837	1.4
63.20956	1.7
69.03438	1.8
70.59507	1.4
71.01387	7.2
71.70249	1.3
72.82088	1.4
72.99302	5.1
73.02955	3.1
74.02473	10.3
75.00834	1.6
81.03463	6.2
82.66332	1.3
85.02943	1.8
87.00916	1.8
87.05620	1.7
89.02451	4.1
96.00912	2.6
98.02511	1.6
99.00880	3.5
101.02444	2.5
109.29014	1.6
113.02474	4.1
113.03596	2.7
119.03531	1.8
124.02274	2.7
125.02468	13.5
126.02795	5.2
127.02937	4.2
127.05126	2.4
139.08832	1.6
146.03766	24.1
152.01767	3.9
161.04636	1.9
161.06087	6.5
164.04816	14.5
173.09399	1.6
179.07149	60.6
180.07471	5.4
197.30315	1.7
205.03506	8.3
206.03923	4.9
207.04030	10.8
223.04553	2.5
225.05029	3.2
239.09351	2.6
285.19312	1.9
346.95670	1.5
357.18106	1.7
366.16711	16.7
383.19141	2.2
401.10098	1.5
401.20349	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.60891	2.7
71.01389	12.6
72.99316	2.8
74.02442	1.7
79.63641	1.6
85.02927	2.0
89.02468	9.3
93.71909	1.5
99.00861	1.5
101.02446	21.6
113.02470	5.6
119.03526	4.9
119.05073	1.8
125.02486	3.4
129.03444	2.2
146.03755	18.6
147.04527	9.0
149.06096	1.4
161.04688	2.5
161.06099	6.6
162.03168	1.8
164.04826	25.6
165.05573	12.2
179.07152	56.3
180.07533	1.9
205.03575	3.1
221.08221	12.8
239.09285	4.4
240.57397	1.5
273.48715	1.4
278.13489	1.4
401.14996	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	401.182
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
57.03455	22.0
58.00600	2.5
59.01384	100.0
60.01723	2.2
62.69350	1.9
71.01389	57.5
72.99313	4.2
73.02936	4.5
75.00871	3.3
83.01388	3.2
83.05030	1.9
85.02954	15.1
87.00887	6.0
87.61137	1.9
89.02454	51.8
93.10123	1.7
95.01410	3.9
99.00903	3.1
99.04546	19.1
101.02454	32.0
102.57325	1.8
107.08630	2.6
111.65538	1.8
113.02464	21.4
117.07103	5.9
119.03508	26.0
121.02975	11.2
123.08174	3.5
131.03537	2.0
133.10269	12.9
135.03049	4.5
140.80220	1.9
143.08701	2.2
151.04071	3.4
159.03101	2.6
159.11819	19.5
161.04559	8.0
161.09769	10.9
165.09102	2.2
166.51540	2.0
177.09256	4.0
177.12859	11.8
179.05649	3.3
195.13899	6.1
203.10783	5.7
221.11848	85.8
222.12195	7.7
228.81912	2.0
239.12918	23.2
283.11728	4.1
385.55481	2.0
401.14111	2.1
401.18317	30.4
402.18616	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	401.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03225	1.1
57.03457	12.6
59.01387	28.3
69.03452	1.5
69.25655	6.1
71.01395	20.0
72.99323	1.3
73.02948	2.9
74.02477	1.7
83.01398	1.7
83.05015	1.6
85.02965	7.7
87.00901	1.0
87.05654	2.8
89.02456	10.7
91.07333	0.8
95.01404	1.3
95.05051	1.3
97.02967	1.9
97.06583	1.0
99.00885	1.1
101.02444	10.4
106.04230	1.1
107.05039	1.7
108.02203	1.6
109.06578	1.0
113.02469	8.2
119.03521	5.4
121.02976	2.5
121.06607	16.1
123.04542	2.7
123.08188	4.6
129.06729	3.7
130.08769	1.0
131.08699	3.5
133.06622	5.1
135.04510	2.8
135.08200	4.8
139.07666	0.9
141.09207	1.8
143.03519	0.9
143.11902	1.2
144.05826	13.9
147.04506	1.1
147.08179	1.3
148.05292	1.6
149.06058	1.5
149.09740	32.3
150.10086	1.3
151.07674	7.6
151.11229	1.2
153.03105	1.6
153.09222	1.3
159.03040	1.0
159.08197	13.1
160.08826	1.2
161.04561	6.7
161.06094	4.0
161.09732	3.4
162.00082	1.0
163.07658	6.7
165.09247	2.6
166.95790	0.8
169.09853	1.0
173.06190	1.5
173.09758	2.6
173.17242	0.9
175.11261	2.7
177.09236	100.0
178.09567	5.9
179.10817	4.9
187.07738	2.7
188.08423	6.4
191.10750	4.2
193.12372	3.7
195.04066	1.5
195.10301	1.8
200.14169	1.2
203.10808	21.1
204.11183	1.1
205.08817	5.2
206.09441	2.3
209.11752	1.3
221.11845	66.4
222.12209	6.3
225.89189	1.0
239.12915	17.4
240.13181	2.3
269.10281	1.3
309.14560	0.9
311.63901	0.9
342.81396	0.9
357.17813	7.1
358.17981	1.1
401.18228	3.6
420.87247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	22.0
58.00600	2.5
59.01384	100.0
60.01723	2.2
62.69350	1.9
71.01389	57.5
72.99313	4.2
73.02936	4.5
75.00871	3.3
83.01388	3.2
83.05030	1.9
85.02954	15.1
87.00887	6.0
87.61137	1.9
89.02454	51.8
93.10123	1.7
95.01410	3.9
99.00903	3.1
99.04546	19.1
101.02454	32.0
102.57325	1.8
107.08630	2.6
111.65538	1.8
113.02464	21.4
117.07103	5.9
119.03508	26.0
121.02975	11.2
123.08174	3.5
131.03537	2.0
133.10269	12.9
135.03049	4.5
140.80220	1.9
143.08701	2.2
151.04071	3.4
159.03101	2.6
159.11819	19.5
161.04559	8.0
161.09769	10.9
165.09102	2.2
166.51540	2.0
177.09256	4.0
177.12859	11.8
179.05649	3.3
195.13899	6.1
203.10783	5.7
221.11848	85.8
222.12195	7.7
228.81912	2.0
239.12918	23.2
283.11728	4.1
385.55481	2.0
401.14111	2.1
401.18317	30.4
402.18616	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	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67862	1.4
55.01883	2.6
57.03456	21.1
59.01096	3.0
59.01386	46.4
60.53247	1.5
69.13721	13.8
71.01392	36.3
73.02958	7.7
73.70755	1.4
80.69120	1.7
82.78578	1.6
83.01382	3.0
85.02964	16.0
89.02460	21.1
92.79168	1.6
95.01401	2.5
97.02973	2.5
97.71226	1.7
99.00909	4.3
101.02464	18.7
107.05025	3.0
108.02187	6.6
109.02973	7.7
113.02479	13.1
119.02763	1.8
119.03522	6.9
121.06606	10.3
123.04569	3.4
123.08163	7.7
133.06586	3.3
135.04558	8.6
135.08139	5.2
143.65924	1.7
144.05836	7.1
149.09726	17.0
151.07674	25.2
152.01143	5.1
152.07918	1.7
153.01944	3.9
159.03058	2.3
159.08200	8.7
161.04576	8.7
161.05894	1.8
161.09689	9.0
163.07672	18.0
165.09251	9.8
167.44757	1.9
173.09695	3.3
175.11337	2.5
177.09235	69.2
178.09589	4.8
179.10777	16.6
187.07664	2.7
188.08469	10.5
191.10710	3.0
203.10814	60.3
204.11142	4.2
205.08629	1.8
206.09477	2.5
221.11848	100.0
222.12202	8.3
239.12917	12.1
401.10904	5.5
401.18445	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	401.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01484	1.5
53.09214	1.5
53.85789	1.5
57.03435	2.7
59.01387	17.0
60.01689	1.7
67.42886	1.7
68.96477	18.7
69.03427	2.2
71.01385	11.1
83.01399	4.5
85.02943	11.8
89.02451	3.3
91.04014	18.9
97.06610	5.8
101.02451	3.3
109.48643	1.8
113.02478	5.4
121.02973	11.4
123.04560	1.9
125.02484	1.9
143.50250	1.6
165.12856	2.8
165.77161	1.6
167.14462	2.4
171.10286	13.6
177.01978	7.9
178.02693	10.3
183.13943	5.1
185.11882	2.8
192.04326	11.3
193.05069	8.3
209.08163	3.5
209.11852	1.8
211.13432	27.5
221.11879	4.7
229.14420	16.6
239.13014	2.8
291.19678	5.5
309.20721	7.7
313.07233	3.7
327.21814	100.0
328.22095	14.0
401.08737	2.2
401.13248	1.9
401.25540	3.4
402.25464	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01484	1.5
53.09214	1.5
53.85789	1.5
57.03435	2.7
59.01387	17.0
60.01689	1.7
67.42886	1.7
68.96477	18.7
69.03427	2.2
71.01385	11.1
83.01399	4.5
85.02943	11.8
89.02451	3.3
91.04014	18.9
97.06610	5.8
101.02451	3.3
109.48643	1.8
113.02478	5.4
121.02973	11.4
123.04560	1.9
125.02484	1.9
143.50250	1.6
165.12856	2.8
165.77161	1.6
167.14462	2.4
171.10286	13.6
177.01978	7.9
178.02693	10.3
183.13943	5.1
185.11882	2.8
192.04326	11.3
193.05069	8.3
209.08163	3.5
209.11852	1.8
211.13432	27.5
221.11879	4.7
229.14420	16.6
239.13014	2.8
291.19678	5.5
309.20721	7.7
313.07233	3.7
327.21814	100.0
328.22095	14.0
401.08737	2.2
401.13248	1.9
401.25540	3.4
402.25464	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	402.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03455	1.6
58.00607	0.9
59.01388	19.0
60.01736	0.4
61.98833	1.3
63.57222	0.3
67.02958	0.3
69.03475	0.8
69.83337	0.4
71.01392	12.0
71.05025	0.7
71.26716	0.5
72.01736	0.5
72.99310	1.0
73.02960	1.9
73.83351	0.3
74.02481	0.6
75.00871	0.4
83.01395	1.0
83.05032	0.5
85.02959	4.0
87.00895	3.7
89.02458	11.1
89.87606	0.3
95.01410	1.3
95.05040	0.4
97.02980	0.4
99.00912	0.4
99.04562	0.4
101.02456	7.2
108.88890	0.4
109.02919	0.4
109.06625	1.0
111.00954	0.4
113.02463	5.0
119.03531	4.3
123.04544	0.8
123.08158	1.7
124.02285	76.5
125.02636	2.9
131.03635	0.6
133.06650	0.4
134.00717	3.4
135.03004	0.6
135.04660	0.4
143.03603	0.7
143.10806	0.7
144.11563	0.3
149.04599	0.6
150.03871	1.2
151.07635	0.4
152.01782	100.0
153.02136	4.8
153.09259	0.7
158.79092	0.4
161.04605	2.7
161.09746	2.3
164.08382	0.7
165.09256	0.6
165.97174	0.4
167.03503	1.9
167.07130	0.5
177.07961	0.5
178.08772	0.9
179.05656	1.5
179.07164	0.6
179.10808	5.8
180.07430	0.9
203.10905	0.4
204.11160	0.4
205.12401	3.4
211.13419	0.9
222.12111	0.9
223.13428	14.6
241.14488	1.8
249.06232	2.4
285.13470	1.2
320.79758	0.4
325.07339	0.4
367.17270	0.5
402.09155	0.6
402.18878	1.0
403.16010	1.3
403.20584	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70610	1.3
57.03456	3.1
59.01386	74.9
60.01731	1.3
61.98835	4.0
66.81593	1.1
71.01394	15.6
72.99315	1.9
73.02952	1.5
83.01406	4.6
85.02968	2.6
87.00874	6.1
89.02465	12.0
95.01395	1.3
96.80019	1.1
97.02979	1.2
99.00972	1.1
99.04518	3.1
101.02459	7.2
102.36645	1.1
104.09624	1.0
111.00960	1.1
113.02480	6.4
113.99625	4.9
115.00403	11.1
119.03519	4.3
119.08687	2.5
121.03008	1.9
123.00932	1.5
131.28848	1.0
133.10251	1.5
135.08237	1.2
137.09758	5.2
139.00305	1.2
149.02402	1.2
153.01970	1.4
153.05605	2.6
155.48282	1.0
156.00674	2.2
157.01424	3.1
161.09760	4.2
163.07716	1.9
164.04820	2.0
174.01704	53.5
175.02496	20.0
177.05588	5.0
179.07126	1.9
179.10811	6.6
181.08722	14.0
189.05568	1.6
192.07961	4.6
197.11852	47.1
198.12180	4.2
207.10330	1.7
212.55511	1.0
223.06134	2.6
223.09784	6.4
229.59062	1.3
231.06660	1.3
241.10832	100.0
242.11148	7.3
249.07806	2.1
263.09177	2.2
267.08560	1.4
283.11896	2.3
305.10168	1.0
307.04770	1.9
307.08264	31.6
308.08643	2.3
321.09805	2.6
327.10306	1.3
365.53516	1.1
367.10251	2.5
403.15955	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1249
Annotation	Theviridoside
Peak:m/z	Relative Intensity
55.88382	2.8
57.48851	2.5
59.01383	51.7
61.98833	35.9
69.09939	19.8
71.01389	34.9
72.99330	3.2
73.02973	4.0
83.01385	2.6
85.02961	8.3
87.00877	7.3
89.02454	31.4
92.74306	2.6
95.01395	8.5
96.42846	2.5
98.22501	3.9
100.09908	2.2
101.02438	15.0
102.82608	2.2
105.03463	2.5
109.02952	3.4
113.02462	12.1
119.03512	7.4
121.02938	2.9
123.00894	10.1
125.02447	13.2
130.06685	3.6
130.08765	3.7
131.06920	3.0
137.02466	9.4
138.03285	19.0
139.00406	8.0
139.04048	12.8
143.03473	3.2
144.07767	2.5
152.01184	4.0
153.01936	5.2
153.05617	13.3
161.04596	3.8
163.00443	3.6
165.01942	26.3
167.03510	3.6
175.00363	4.3
176.80455	2.5
179.03497	4.9
179.07169	4.5
180.00696	20.5
180.04352	22.1
181.01459	12.1
193.01413	28.4
194.02142	4.2
195.03026	53.6
195.06700	9.5
196.03641	13.2
197.04488	4.2
208.03790	32.8
209.04443	5.1
211.06169	17.7
223.06149	100.0
224.06467	4.1
225.03998	7.1
358.09103	7.9
373.11429	98.2
374.11691	11.2
385.11551	18.6
403.12280	37.6
404.12830	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20614	1.1
57.23442	1.1
59.01383	22.5
61.98837	23.8
70.82079	2.8
71.01395	14.5
72.99294	1.8
74.25050	1.1
79.62247	1.2
83.01406	2.8
85.02979	2.5
87.00874	2.1
89.02452	12.1
95.01390	3.6
97.02982	6.8
101.02455	10.7
108.02177	9.9
111.00905	3.9
113.02459	5.6
119.03516	6.3
121.02927	1.9
123.00895	16.7
123.04524	4.6
125.02426	1.5
127.00395	2.5
137.02475	3.8
138.03255	7.8
139.00395	10.7
152.01178	16.3
153.00182	1.4
153.01718	1.8
153.05602	2.7
154.02707	1.9
165.01974	9.5
167.03505	34.0
179.03502	1.9
180.04306	5.2
193.01431	26.0
195.06787	1.9
202.85657	1.3
207.03049	2.9
208.03790	37.8
209.04227	2.2
223.06131	100.0
224.06476	6.5
241.07121	1.8
309.39185	1.2
403.12079	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43832	2.4
57.03453	2.4
57.35259	2.7
59.01388	99.0
60.84750	2.5
66.83015	2.5
69.07251	22.5
71.01388	11.9
73.02915	2.8
75.00850	3.4
83.05014	2.8
90.16450	2.3
94.44800	2.5
99.04519	3.0
101.02425	3.5
113.02496	3.0
115.00378	10.1
118.52650	2.7
135.03020	7.2
140.95633	2.5
174.02003	2.7
182.23839	2.3
206.04556	7.6
207.13773	3.3
209.11824	10.8
225.11349	11.3
225.14941	5.7
227.12949	30.4
254.98624	2.8
269.14005	8.3
285.13538	34.1
286.13916	4.2
287.15054	100.0
288.15439	13.6
361.18796	3.4
403.15680	10.4
403.20291	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87467	1.0
54.33611	1.1
55.01871	1.5
57.03436	4.6
59.01384	61.0
59.95802	0.9
69.28885	7.8
71.01378	3.5
71.05030	1.6
73.02936	1.1
75.00878	1.8
80.67679	1.2
83.05032	9.1
87.00886	4.6
95.05022	1.6
97.06590	2.2
102.76250	1.2
109.06622	1.2
111.04535	12.7
123.08193	5.7
135.03040	5.9
136.91547	1.1
149.13719	1.1
163.11290	4.7
165.09195	4.7
181.12338	3.1
186.03879	1.1
186.27333	1.1
197.11821	3.1
223.13443	9.8
225.09171	2.2
225.11343	32.5
226.11661	2.9
241.14464	2.7
245.36043	1.2
267.12384	2.9
267.92944	1.2
285.13452	100.0
286.13828	9.9
403.15994	31.5
403.20862	1.4
404.16299	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	403.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.3
55.09586	1.5
57.03436	3.8
59.01385	62.8
61.98828	4.7
69.00284	9.2
69.00688	2.2
71.01375	5.2
71.96673	1.2
72.99316	1.8
73.02951	1.5
74.02464	2.8
75.00889	10.2
83.05046	8.7
85.02938	1.4
87.00898	7.4
89.02461	4.2
95.05063	1.4
98.21948	5.3
98.22649	2.5
99.04502	1.7
101.02462	3.0
109.06602	2.1
110.77834	1.1
111.04543	11.0
111.08161	2.6
113.02425	1.3
117.01935	2.6
120.03780	0.8
120.04564	21.8
123.08168	4.4
125.02479	1.3
129.10347	1.4
132.04602	1.9
135.03015	27.5
137.09792	1.4
138.05554	1.7
147.03256	1.5
150.05646	3.0
151.00323	1.8
158.02550	1.7
163.11299	4.4
165.09196	3.4
168.06682	9.9
174.01959	3.0
176.03490	1.6
179.10780	1.5
181.05003	1.3
181.08722	1.3
181.12343	3.1
190.05138	15.1
197.11884	9.0
203.08266	2.6
206.04678	7.0
222.07713	11.6
223.09900	1.9
223.13371	7.6
225.11349	28.1
226.11664	2.3
227.12877	3.1
241.05136	6.2
241.10828	9.9
241.14616	1.4
267.12305	2.7
283.11545	4.0
285.13467	100.0
286.13861	10.0
287.15076	9.8
343.13962	3.6
355.12769	1.7
359.11758	1.9
360.59006	1.3
371.12704	2.5
373.12964	1.4
403.10718	2.5
403.15674	40.5
403.20023	3.0
404.15872	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49851	1.5
57.03450	5.7
59.01386	100.0
71.01390	14.0
72.99311	3.5
73.02967	2.8
75.00875	4.6
83.05035	2.9
85.02949	4.2
87.00860	9.4
89.02477	9.2
97.06606	2.5
101.02486	8.7
113.02435	6.3
117.01974	1.9
119.03517	5.3
135.03017	16.7
143.24139	1.8
163.11313	5.6
165.09210	2.6
166.17491	1.5
197.11839	5.7
223.13406	16.7
225.11285	15.5
241.14481	6.5
248.90918	1.7
253.08693	2.1
267.12387	25.3
268.12714	2.8
285.13458	83.8
286.13803	6.3
403.15753	30.0
404.16714	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	403.1615
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01883	2.1
57.03450	5.2
58.00610	1.9
59.01385	100.0
60.01717	1.7
65.01535	1.3
69.34647	9.6
71.01388	24.0
71.01760	2.2
72.99308	1.9
73.02951	7.6
75.00880	1.7
77.85973	1.4
83.01396	2.7
83.05040	2.2
85.02964	6.3
87.00893	3.7
87.04562	1.4
89.02453	20.2
95.01411	2.4
97.02942	1.9
97.06624	1.4
99.00922	1.7
99.04535	3.3
99.62495	1.5
101.02448	14.7
113.02477	9.6
119.03526	6.3
123.08184	1.4
129.82349	1.3
133.10243	2.2
135.03033	4.5
135.08195	2.1
135.11836	2.0
137.09758	4.3
143.03560	2.0
153.09222	1.6
161.04549	4.5
161.09720	4.8
163.07591	1.6
174.78635	1.5
179.10773	13.2
181.08723	12.1
197.11847	44.4
198.12154	2.9
205.12379	1.4
206.26471	1.5
210.48746	1.4
223.09808	8.5
223.13416	3.9
241.10846	85.7
242.11246	5.4
285.13452	7.8
385.18680	7.7
403.15997	8.1
403.19809	5.3
404.26447	2.4
421.17935	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.5
57.03460	2.6
58.00586	4.2
58.78193	1.4
59.01386	86.7
61.98832	13.3
70.75511	3.9
71.01388	42.7
71.64832	1.6
72.99308	4.7
73.02944	2.0
83.01395	4.3
85.02984	7.5
87.00887	4.0
89.02458	47.3
96.96980	2.1
97.02959	2.1
99.00906	1.8
101.02456	31.8
102.02798	2.5
109.03006	2.0
110.05530	1.5
113.02463	15.1
114.44463	1.4
119.03513	23.9
121.02974	17.4
122.03763	9.9
124.01633	1.8
125.02458	2.3
128.03537	3.7
131.03506	1.9
135.04544	15.7
136.36905	1.6
137.02409	2.3
139.00269	1.5
140.01155	1.7
143.03514	2.6
143.04655	4.1
149.04546	1.8
154.02748	3.5
161.04617	2.5
165.05603	3.9
166.06378	37.5
167.03484	3.5
167.07155	100.0
168.00688	5.6
168.07475	5.6
179.05684	3.4
179.07152	2.0
181.08739	3.9
182.02277	1.9
183.03027	4.2
185.73395	1.6
205.00401	1.6
208.03815	2.3
210.01770	3.3
217.74307	1.6
223.06360	3.1
223.09782	49.2
224.10201	2.6
225.04105	5.8
226.04738	4.6
241.07272	9.8
254.07883	1.8
306.07791	4.2
329.12488	37.3
330.12936	3.6
388.10336	2.3
403.16312	45.1
404.16635	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03446	4.1
59.01386	100.0
60.01721	1.9
61.64409	1.2
61.98847	3.1
66.69693	1.4
68.68947	1.2
71.01107	1.1
71.01398	12.7
71.05010	1.9
73.02945	3.1
78.60860	1.4
83.01384	1.4
83.05028	1.4
85.02963	4.5
87.00869	6.5
89.02462	4.7
95.01389	1.5
97.02971	17.3
99.04523	2.1
101.02454	9.8
109.06599	2.7
113.02460	4.9
119.03545	3.1
119.08653	2.4
121.06599	1.9
123.04527	1.5
125.06065	1.7
133.10240	1.8
135.04478	1.3
135.08206	2.4
137.09720	5.7
137.57266	1.3
149.09775	1.7
151.11295	1.6
153.12558	1.2
159.11803	3.0
161.09747	7.1
163.07678	4.5
165.05589	1.5
179.10774	10.0
181.08754	11.5
182.09189	1.4
197.11844	54.0
198.12181	4.6
199.19888	1.2
221.11748	1.7
223.09805	12.3
223.13393	1.8
228.69223	1.5
236.85527	1.5
241.10844	86.8
242.11221	6.5
283.11911	34.7
284.12122	3.8
310.32413	1.5
313.12952	6.9
343.14017	38.1
344.14380	4.3
403.15881	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65251	1.1
53.08708	1.4
57.03434	5.4
59.01386	100.0
60.01695	1.5
61.19827	1.4
61.98825	4.1
70.26036	3.2
70.26359	1.6
70.49059	1.3
71.01379	6.8
73.02924	2.5
73.98315	1.3
75.00862	1.5
83.05016	1.7
85.02949	3.1
87.00871	9.5
87.04528	1.5
89.02448	4.0
97.02966	3.0
99.04537	3.4
101.02442	7.0
113.02443	4.0
119.03466	1.5
119.08678	4.6
124.93597	1.4
133.10219	2.2
135.03006	1.7
135.08189	2.1
137.09729	5.0
159.11813	2.6
161.09747	4.6
163.07637	3.1
179.10786	10.6
181.08699	13.8
195.10245	1.4
197.11850	60.9
198.12157	4.3
200.22472	1.3
221.11861	2.2
223.00188	1.3
223.09792	13.8
223.13356	2.5
241.10838	97.3
242.11177	6.0
253.09248	1.4
283.11920	37.7
284.12161	3.3
285.13470	5.2
313.12921	6.8
314.13629	1.5
327.09711	4.2
343.14087	43.0
344.14432	3.9
353.65430	1.5
371.08804	1.7
403.10959	2.4
403.15894	14.8
404.16193	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	403.1977
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
51.63239	1.1
55.01874	2.8
57.03453	2.6
58.00581	1.2
59.01384	78.3
61.03261	1.4
61.98840	1.9
65.00340	1.5
67.01885	1.5
67.05954	1.3
69.53844	7.0
71.01390	33.4
71.05000	1.3
72.39776	1.3
72.99301	1.6
73.02956	11.2
75.00884	1.4
83.01405	6.6
83.05007	1.9
85.02952	12.9
86.00116	1.4
87.00875	6.7
89.02465	10.7
93.03461	1.2
95.01411	3.5
96.96024	2.3
97.02933	1.7
99.00885	3.7
101.02458	20.8
111.04521	2.8
111.08171	1.8
113.02450	9.3
116.88330	1.4
119.03516	2.7
123.08173	1.2
125.02425	2.7
135.02997	1.8
151.00374	4.6
161.04601	2.4
163.11353	1.7
165.09206	1.3
178.02780	1.2
179.03506	2.8
180.04318	2.9
181.12375	3.2
190.60205	1.4
195.06754	2.3
196.19174	1.1
199.13361	14.2
209.08273	3.3
214.03557	2.2
221.76950	1.2
222.74580	1.3
223.13383	1.9
225.11330	6.2
241.14467	2.9
285.04129	3.0
285.13504	16.3
297.09064	1.2
317.01285	7.1
318.01398	1.7
343.17691	20.3
344.18109	2.3
361.18735	50.0
361.23257	2.8
362.19128	4.8
403.19800	100.0
404.20255	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1974
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
51.22961	0.8
55.01877	5.7
57.03456	7.5
58.00604	1.9
59.01386	48.0
61.17180	0.8
65.66412	1.1
69.03452	2.1
69.65144	1.0
71.01390	79.6
71.05023	2.2
71.26974	1.0
71.27368	1.3
71.60168	0.8
72.01747	1.4
72.99315	3.6
73.02578	1.6
73.02953	19.7
75.00883	1.7
81.03469	1.5
83.01404	8.1
83.05033	1.6
85.02962	27.2
87.00907	2.5
89.02461	19.6
95.01383	4.9
95.05071	1.8
97.02998	4.3
97.06622	1.9
97.88560	0.8
99.00891	9.4
99.04538	3.1
99.92585	1.1
101.02454	43.0
107.05019	1.1
109.02960	1.3
109.06606	2.0
111.04542	1.1
113.02465	34.4
115.38133	0.9
115.92082	1.8
116.92869	7.0
119.03506	7.3
119.08665	1.9
121.06612	3.7
123.04570	1.8
123.08156	3.4
125.02458	1.7
125.06101	3.1
131.03532	0.9
131.89856	0.9
133.10324	0.9
135.03085	2.2
135.08176	2.4
136.05296	1.1
137.09688	2.0
139.07674	2.9
140.07178	1.1
141.09274	1.0
143.03522	2.7
145.68895	1.0
149.06113	1.7
149.09749	4.9
151.07739	5.3
151.11333	2.8
153.09221	2.4
159.03011	5.9
161.04584	29.4
161.09734	85.7
162.10095	5.6
162.11287	0.9
163.11293	6.7
164.08427	11.0
165.09291	1.3
171.08328	0.9
175.07652	2.5
177.09323	1.6
177.12869	1.2
178.09976	5.0
179.05716	1.7
179.10794	69.9
180.11143	4.9
181.12360	6.2
187.11304	3.1
189.09236	2.3
190.10048	8.7
191.10782	8.9
203.10684	1.2
205.12344	28.0
206.12662	2.8
208.11136	4.7
210.76579	0.9
221.11806	1.3
223.13414	100.0
224.13757	6.8
237.09282	1.1
241.14499	8.7
249.60320	1.1
285.13321	3.0
304.59146	0.9
359.81644	1.0
403.11212	2.0
403.15967	3.0
403.20422	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	403.1976
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01871	1.4
57.03450	3.4
58.00606	1.8
59.01386	100.0
60.01723	1.8
61.98819	1.3
71.01391	42.1
71.05045	1.2
72.99303	3.1
73.02948	7.3
75.00876	2.7
83.01411	3.2
85.02963	10.1
87.00894	4.7
89.02458	24.6
89.02969	1.8
95.01408	1.4
97.02936	1.8
98.21704	2.7
99.00912	3.2
99.04524	1.8
101.02459	25.2
103.06299	1.3
113.02461	18.2
119.03502	10.0
119.30916	1.2
135.03021	7.6
143.03528	1.8
161.04579	9.1
161.09775	2.9
163.11388	3.0
165.09229	3.1
181.12379	2.1
197.11862	2.5
205.12283	1.5
223.13426	35.2
224.13774	3.0
225.11301	8.2
226.11668	1.1
241.14445	9.3
253.08656	2.0
267.12436	6.2
283.11047	2.2
285.13492	41.1
286.13770	3.0
298.20770	1.4
327.10010	2.8
371.08789	2.2
403.15836	7.8
403.20233	28.0
404.15744	1.7
404.20532	2.9
404.26382	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98845	0.8
57.03454	1.5
59.01384	37.1
61.98837	2.7
71.01374	2.6
71.27809	1.0
83.05000	1.1
85.02951	1.4
89.02448	5.1
91.04015	21.7
93.17097	0.9
99.08195	5.8
101.02448	1.3
113.93530	0.8
125.09740	2.0
127.11323	1.4
129.09256	1.0
148.60263	0.9
150.75751	0.9
155.14366	1.3
165.12790	0.9
167.14444	2.0
171.10289	4.6
183.13956	5.1
193.12282	2.8
209.11783	2.1
211.13405	37.9
212.13771	3.1
229.14436	20.7
230.14839	1.5
285.13455	1.6
293.21216	1.8
311.22330	8.2
329.23364	100.0
330.23730	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2707
Annotation	bhos#26
Peak:m/z	Relative Intensity
53.27797	0.6
57.03458	0.9
58.00610	1.5
58.34041	0.6
59.01377	3.1
61.98846	5.3
62.30903	0.7
69.03483	0.9
71.01390	2.0
73.02956	4.2
73.62357	0.6
83.05045	2.4
85.02972	1.1
85.06603	14.5
85.95033	0.6
87.04565	1.7
95.05049	3.5
97.06601	8.7
99.08209	0.7
101.02455	1.5
107.05023	3.0
109.06603	8.1
109.07288	0.9
113.02532	0.7
113.06128	2.3
115.07671	9.3
125.06102	17.5
126.06535	0.7
127.07679	3.7
129.09245	1.3
145.07565	1.3
145.08731	24.3
146.09067	1.0
180.04272	0.8
183.13921	68.9
184.14290	4.4
195.06558	0.7
195.13934	9.0
201.11349	1.2
209.08209	1.5
213.15126	1.5
221.15477	1.2
263.20215	0.7
275.20197	1.7
293.21317	4.6
311.18704	0.9
311.22336	14.6
312.22531	1.6
327.21814	0.7
329.23376	100.0
330.23679	12.0
349.23779	1.1
367.24924	10.6
368.25171	1.5
385.26187	1.3
403.27036	83.7
404.21808	1.3
404.27295	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	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
98.13151	0.4
98.22554	0.9
122.46451	0.4
136.84845	0.5
140.70996	0.5
182.12216	0.4
194.37617	0.5
291.62253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91422	0.4
51.54609	0.5
51.70584	0.5
56.61977	0.5
61.98837	100.0
67.32053	0.6
69.19556	1.4
69.19981	2.6
151.48520	0.6
189.07869	0.5
241.94011	0.5
258.22391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	12.0
59.01384	20.9
59.40622	1.7
61.98826	7.0
71.01390	8.6
72.00934	2.1
74.02481	23.7
81.04586	2.8
82.02998	5.1
85.02969	2.3
86.02501	9.7
87.05666	9.2
89.02467	9.4
90.00208	3.8
97.04086	4.2
98.22604	4.3
99.05656	18.4
101.02470	4.8
101.07246	3.3
102.05646	2.1
109.04095	3.8
112.04039	4.4
112.79060	1.9
113.02467	4.2
119.03515	5.7
125.03596	2.1
127.05192	6.3
128.03568	57.8
135.04657	2.1
135.05704	5.0
141.06720	6.8
143.04643	78.6
143.05775	4.1
144.04999	2.8
145.06226	4.6
146.04616	7.2
153.06737	7.9
155.08232	3.2
160.00755	24.5
166.09891	4.1
167.04634	6.9
167.08261	3.1
177.03436	7.1
179.04599	14.3
181.06223	2.5
182.09052	2.7
197.05641	2.7
207.13928	2.6
210.08891	17.0
215.41360	1.7
242.07990	2.5
253.04614	2.9
254.07819	26.5
255.08060	2.5
272.08923	36.4
273.09348	1.8
288.06546	13.4
289.13516	1.7
306.07678	100.0
307.07971	5.5
405.17255	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37135	0.5
59.01366	1.2
67.01888	0.4
67.63035	0.4
69.03459	0.6
70.37184	1.3
71.01384	1.1
72.59023	0.5
85.02956	11.6
87.00909	2.9
93.03470	3.7
109.02962	0.6
111.04517	1.3
127.03980	2.5
128.53772	0.5
135.36400	0.4
171.03036	0.6
173.04546	1.7
191.05629	100.0
192.05974	4.0
231.03606	0.6
310.24991	0.5
405.10162	31.1
406.10562	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	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03437	0.4
59.01382	4.9
62.26603	0.3
65.00327	0.6
65.65859	0.3
68.00838	0.3
69.03450	0.3
69.16762	0.3
71.01376	0.9
80.02674	0.8
84.61434	0.3
85.02960	0.6
89.02460	0.6
91.01906	15.5
92.02245	0.6
95.01402	0.8
101.02451	0.5
107.01384	0.4
107.05032	0.6
108.02185	19.1
109.02991	4.5
121.02961	1.1
123.00894	5.8
124.01691	0.5
125.87176	0.3
135.00899	14.3
135.03008	0.6
135.14046	0.3
136.01207	0.5
137.02454	3.4
152.01161	18.3
153.01712	0.9
190.32359	0.3
197.06099	1.7
199.07680	0.9
209.11839	0.4
213.05602	1.0
215.07256	0.7
227.12994	1.8
241.05186	0.3
243.06630	100.0
244.06979	8.1
269.14038	0.4
287.15054	3.5
405.11948	4.0
405.17346	1.3
406.12494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1196
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03465	1.1
58.82479	1.1
59.01386	22.3
61.98805	1.2
68.53381	1.0
69.03461	59.4
70.03735	1.1
71.01368	3.6
79.01891	18.2
81.03459	2.4
83.74712	1.1
85.02965	2.5
95.01395	10.1
96.96042	1.4
97.02960	37.5
98.03323	1.2
101.02459	2.9
107.01398	45.0
108.02232	6.3
109.02977	4.8
113.02478	3.0
121.02985	3.0
123.00893	18.4
124.52998	1.1
125.02460	76.9
126.02796	2.9
133.02988	2.7
135.00900	20.4
136.01703	5.2
137.02412	1.9
143.03368	1.1
149.02495	2.9
151.00386	76.0
152.01193	6.5
153.01939	19.9
163.04022	7.0
177.01923	9.5
177.09259	1.2
180.90627	1.2
209.30499	1.0
227.12926	3.0
242.05865	100.0
243.06578	34.1
244.07059	2.1
285.07751	3.0
287.15073	8.6
297.06195	7.1
345.23358	1.3
369.91031	1.1
405.12024	40.8
405.17538	3.7
405.26541	1.7
406.12326	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	405.1196
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01381	1.2
65.00308	0.7
65.03973	3.2
67.01893	1.6
68.99807	0.6
69.16510	3.7
69.26488	0.5
70.33234	0.4
71.01379	0.6
72.69424	0.4
80.02688	0.6
82.82021	0.5
87.15780	0.4
91.01906	41.4
92.02247	1.8
107.05032	2.2
108.02150	3.7
109.02965	28.5
110.03302	1.1
121.02961	1.7
121.11391	0.4
129.10378	0.6
133.02953	1.5
135.00902	100.0
136.01228	3.5
137.02438	3.5
147.93973	0.4
149.02469	1.1
151.04134	0.4
153.01956	89.5
154.02284	4.5
161.02530	0.7
175.04024	3.1
177.01952	2.7
197.06091	1.1
199.07730	0.5
225.05693	1.0
226.09634	0.4
243.06644	11.3
244.06985	1.5
267.06693	1.1
297.06213	12.4
358.34058	0.4
376.18860	0.7
380.99432	0.4
405.11942	6.8
406.12299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87831	2.7
59.01392	36.7
60.71526	2.5
61.98829	11.9
69.14191	19.6
71.01388	38.5
73.02977	2.7
74.99371	4.8
75.00864	2.9
83.01408	3.2
85.01440	4.1
85.02950	5.9
87.00907	4.7
89.02477	21.9
98.99369	3.2
99.00868	3.9
101.00967	15.6
101.02461	11.3
102.98896	14.6
113.01007	2.9
113.02473	11.9
115.99678	9.7
117.00461	13.9
119.03495	7.9
121.02930	2.7
125.00939	8.0
125.02441	3.8
126.98905	5.3
130.98427	3.7
141.00427	15.9
143.99150	11.6
149.02461	3.6
150.90710	3.0
153.00461	6.8
155.02055	5.9
161.04562	4.5
165.01952	15.3
168.99942	6.1
171.94640	9.0
177.01961	26.1
179.03546	29.6
180.04297	17.0
183.01532	12.3
186.29239	2.9
192.04228	13.4
194.05788	14.3
195.06621	66.6
201.02623	3.5
225.07655	13.7
243.03535	7.3
267.07220	3.5
285.08331	100.0
286.08539	16.9
303.09372	11.5
327.09412	19.0
328.09662	2.8
345.10458	76.7
346.10593	11.1
390.62262	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	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86260	1.5
58.00596	2.4
59.01384	26.1
61.98836	23.4
69.39659	10.2
71.01386	17.3
73.02939	2.4
85.02967	6.9
85.03445	1.2
87.00874	6.8
89.02453	18.5
96.33235	1.5
98.21881	3.1
99.00957	1.8
101.02438	8.9
111.00962	1.9
113.02457	6.9
119.03484	7.2
129.88509	1.3
134.23051	1.5
136.01695	2.1
137.02425	1.7
149.02461	3.0
152.04897	2.0
153.01907	2.4
161.04567	4.3
164.01160	6.1
165.01956	29.1
166.02585	1.7
167.03470	2.7
177.01952	14.4
179.03519	60.9
179.05263	2.9
180.04280	33.6
181.04929	2.3
181.08789	2.0
192.04274	5.5
194.05873	20.8
195.06647	100.0
196.06987	6.4
207.06616	2.9
210.05272	2.7
225.07713	22.9
243.08846	3.1
357.11981	6.2
405.21417	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	405.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82255	0.9
59.01390	100.0
61.98842	7.4
69.62556	4.1
69.62972	1.9
69.79102	0.9
71.01371	2.5
71.39611	0.9
74.08401	0.9
86.54366	1.0
89.02466	1.4
101.02499	1.2
153.01935	3.9
158.71474	0.9
167.10828	2.2
168.04309	4.7
183.06657	17.0
243.08823	1.9
346.09335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1558
Annotation	Icariol A1
Peak:m/z	Relative Intensity
59.01390	13.2
67.01880	1.3
71.01383	6.2
73.02949	1.2
77.03621	0.9
80.52612	0.9
83.01395	4.5
85.02969	1.8
87.00884	1.1
87.05595	1.0
89.02452	3.9
89.28115	1.0
89.72874	1.0
95.01420	3.1
99.00941	1.5
101.02440	4.2
108.02167	2.3
109.02943	2.9
111.00896	6.0
112.98808	1.4
113.02461	2.6
119.03529	1.7
119.05057	1.5
121.03002	1.2
122.03811	1.8
123.00910	7.6
123.04509	2.0
125.02457	3.8
127.00376	5.4
128.03557	3.8
135.00923	2.4
135.04556	1.5
136.98830	5.2
137.02444	2.6
138.03273	4.9
138.99333	1.7
139.00400	29.2
139.04050	1.4
139.76476	1.1
140.01141	3.3
146.03700	1.4
147.04579	2.4
150.03256	6.2
151.00380	1.6
151.04021	4.6
153.01970	4.8
153.05595	3.4
154.02716	3.8
161.04626	1.4
161.06099	3.7
163.04042	2.9
164.04771	2.2
165.01892	3.2
165.05544	3.0
166.02724	14.9
167.03128	1.6
173.02496	1.3
175.04037	1.6
177.02036	2.5
177.05548	1.3
178.02660	5.4
179.03516	4.3
179.07111	5.5
180.04311	3.7
181.05075	15.8
182.05374	1.5
188.53995	1.1
190.02728	4.1
191.03482	7.5
192.04248	2.2
193.05084	9.6
195.02972	1.0
195.06671	2.9
205.05067	10.4
206.05798	4.5
207.06834	1.6
208.03815	5.0
209.04568	4.6
222.05359	1.3
223.06122	12.4
237.07677	2.0
251.00607	1.1
251.09164	1.1
253.07133	2.7
272.06888	1.2
287.09335	1.5
287.15070	3.2
303.83743	1.4
315.08762	3.3
327.08765	7.4
342.10992	2.1
345.09863	19.3
346.10092	2.5
351.24402	1.1
357.13425	3.8
359.11349	5.7
360.12167	30.5
360.16623	1.6
361.12476	3.5
362.31314	1.3
375.14523	84.0
376.14789	9.7
390.13263	7.0
405.15604	100.0
406.15845	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	405.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.6
61.98815	1.9
66.96485	1.5
71.01398	7.5
71.13288	2.8
73.02950	2.3
77.93372	1.4
85.02921	3.2
93.03481	3.8
95.01432	1.5
101.02438	5.2
113.02455	2.6
120.70280	1.7
121.02959	8.6
122.03754	14.0
128.05086	9.1
130.06612	7.4
134.03784	2.0
149.02458	45.8
149.06055	3.1
150.03252	93.7
151.03651	3.2
157.05194	1.6
158.06152	19.4
158.07382	2.6
161.02472	7.3
164.04840	11.0
165.05586	100.0
166.05898	3.9
176.04866	4.4
179.03549	14.1
180.04237	6.5
191.07237	2.0
194.05867	13.7
195.04800	2.8
195.06641	58.8
196.06924	3.0
202.05089	5.7
209.08215	22.9
221.76601	1.4
230.11179	1.7
287.15128	3.6
342.11041	5.4
357.13541	27.2
358.13959	4.2
360.54593	1.7
370.35355	1.6
405.21057	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	405.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27817	13.8
59.01386	80.3
69.14384	100.0
77.31982	13.1
80.91008	12.6
86.33098	13.9
93.00095	14.1
102.38425	16.2
109.61018	14.0
134.03755	14.8
138.10486	14.0
143.19609	12.0
149.06058	32.4
150.03262	29.0
161.06020	21.5
164.04784	23.1
165.05583	35.8
179.07184	17.3
179.18004	15.4
195.06686	14.8
209.08162	47.1
227.88809	14.4
239.90044	13.1
275.16672	13.7
397.37961	13.7
401.78607	13.2
405.17215	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	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15803	0.7
59.01385	75.7
59.08150	0.8
60.01717	1.3
60.99339	0.7
71.01379	0.9
74.20569	0.7
75.00885	1.9
91.14452	0.7
99.04538	2.2
117.01987	0.9
135.03014	7.7
147.40184	0.8
152.19479	0.7
165.12888	1.6
166.14699	0.9
166.43248	0.9
168.57426	0.9
177.04054	0.9
207.13914	2.5
209.11868	7.8
225.14983	4.8
227.12901	39.5
228.13211	3.4
251.12810	1.4
269.13971	11.2
287.15033	100.0
288.15399	8.9
405.17679	38.6
406.18262	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01387	64.0
69.20108	2.7
69.20525	5.4
75.00876	7.0
76.38114	0.9
89.02480	1.0
99.04527	1.5
117.01910	1.1
135.03015	21.3
157.38622	1.0
165.12810	1.9
207.13885	2.7
209.11798	5.6
225.14952	4.2
227.12923	33.5
228.13196	2.7
243.12390	1.9
269.13974	11.1
287.15048	100.0
288.15436	9.1
405.17740	23.2
406.17865	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	405.2134
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03446	1.0
58.00588	1.7
59.01388	53.0
61.98829	0.8
69.07958	6.7
71.01392	60.6
72.99305	3.5
73.02940	2.7
80.14571	0.7
83.01386	1.9
85.02966	7.3
87.00890	1.9
89.02459	36.0
90.02842	0.9
95.01393	3.2
101.02457	20.7
113.02470	12.9
115.83154	0.7
119.03527	16.9
127.11303	1.9
131.03496	1.3
139.11285	1.0
143.03514	1.4
149.04555	0.7
153.12877	3.5
161.04544	1.3
171.48793	1.0
179.05647	1.8
181.12326	1.2
199.13402	6.8
207.13867	1.6
225.14946	3.3
243.16022	1.3
285.03995	1.0
387.20319	2.4
405.21338	100.0
406.21698	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	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03439	2.0
58.00591	1.8
59.01386	35.1
65.57864	0.6
69.11393	5.7
71.01389	23.6
72.84920	0.7
72.99326	1.9
73.02956	4.4
73.45669	0.6
83.01392	3.0
84.70461	0.7
85.02953	8.5
85.06585	2.7
87.00889	1.3
89.02454	12.7
95.01396	2.3
97.06618	1.1
98.21846	1.5
99.00910	4.0
101.02457	15.6
113.02468	8.6
119.03522	4.4
155.14429	8.1
161.04488	1.1
179.05585	1.0
181.15968	2.8
199.13408	19.3
200.13823	1.2
225.15042	3.5
225.16827	0.7
245.17511	0.8
287.15051	0.8
300.94421	0.7
308.69043	0.7
387.20450	1.7
405.21317	100.0
406.21695	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01872	1.0
58.00583	2.5
59.01385	61.6
61.56107	0.7
61.98830	1.2
70.06483	2.1
71.01389	57.4
71.82636	0.7
72.01743	1.2
72.99300	4.2
73.02940	2.5
83.01362	2.5
85.02961	8.3
87.00859	2.5
89.02457	36.4
95.01392	3.1
98.22472	1.1
101.02452	25.8
105.81209	0.8
113.02474	14.2
119.03516	16.7
127.07568	0.9
127.11304	1.5
128.41241	0.8
131.03516	1.5
139.11244	0.7
143.03491	1.9
149.04587	0.9
150.04295	0.8
152.01187	1.1
153.12868	9.2
161.04570	2.5
179.05597	4.9
181.12413	1.1
181.16048	0.9
199.13452	5.7
222.64809	0.7
225.15045	4.9
243.06644	4.6
271.31238	0.9
387.20328	0.9
405.21307	100.0
406.21671	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	405.2133
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	1.5
57.03453	2.0
58.00594	3.1
59.01384	100.0
60.01716	1.5
61.49533	0.5
61.98829	0.5
69.52563	3.5
71.01389	63.4
72.01740	1.0
72.99313	3.8
73.02955	5.0
81.03413	0.5
82.68977	0.5
83.01398	3.2
85.02959	11.9
87.00887	4.2
87.09919	0.5
89.02451	74.0
90.02805	1.1
95.01391	4.2
97.06602	0.6
99.00921	1.1
101.02456	38.5
102.02796	0.6
113.02461	25.9
115.04020	0.6
119.03513	36.4
120.03858	0.6
123.08202	0.8
124.84975	0.5
125.02462	0.8
131.03485	3.7
143.03519	6.9
149.04593	3.1
151.11353	0.8
159.03033	0.5
161.04555	6.8
163.11316	2.6
167.10793	0.6
175.02554	1.8
179.05630	8.9
181.12343	3.2
189.12996	0.6
226.72098	0.6
243.16013	8.2
244.16425	1.0
245.49753	0.5
308.23373	0.5
323.13452	1.3
343.49619	0.5
345.11392	0.5
405.21451	29.3
406.21863	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	405.2135
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.72188	0.6
55.01886	2.2
55.65777	0.6
57.03451	5.4
58.00595	2.7
59.01387	100.0
60.01726	0.9
60.29581	0.7
65.25802	0.6
70.56557	0.7
71.01390	62.6
72.98403	0.8
72.99319	5.3
73.02962	3.5
83.01405	3.1
83.05035	0.9
85.02965	10.4
85.95951	0.6
87.00903	3.6
89.02455	70.3
93.03465	0.8
95.01406	3.9
98.22544	2.8
101.02456	34.1
104.12369	0.6
113.02459	24.3
116.99059	0.6
117.83133	0.7
119.03516	28.8
120.03891	1.0
123.08243	0.9
125.06115	0.9
131.03447	3.0
135.00941	1.2
135.46907	0.7
143.03548	4.6
149.04596	2.2
153.01999	1.4
159.03020	0.7
161.04585	9.2
165.09282	0.9
167.10870	1.2
174.92163	0.7
175.56853	0.6
179.05641	7.3
225.11453	1.0
241.14606	0.7
243.16049	2.2
287.15210	2.1
303.14651	1.5
327.12445	1.1
353.84723	0.8
354.24713	0.6
362.04205	0.7
405.17184	14.3
405.21957	5.0
406.17728	1.5
418.27023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2136
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
52.79658	0.3
55.01883	1.1
57.03450	9.6
58.00597	3.7
59.01384	100.0
60.01710	1.0
70.58032	0.6
71.01389	61.7
72.01727	1.0
72.99317	4.6
73.02953	2.3
75.00876	0.5
83.01399	2.5
83.05003	0.3
85.02961	10.5
87.00888	3.3
89.02454	72.1
90.02766	1.6
95.01402	3.7
97.02937	0.4
97.22124	0.3
99.00906	0.8
99.04527	0.7
101.02455	31.1
102.02802	0.4
106.30857	0.3
113.02462	21.6
114.02795	0.5
119.03514	30.4
120.03857	0.8
121.06621	0.4
123.08150	1.1
125.02441	0.7
125.06058	1.0
131.03499	2.2
137.09698	0.6
143.03513	4.1
145.19951	0.3
149.04579	2.1
149.09700	0.6
161.04579	4.0
167.10802	4.2
179.05627	6.3
189.63295	0.3
243.15833	0.5
254.88382	0.3
267.86981	0.3
268.57312	0.4
351.86142	0.3
405.21606	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2649
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01391	12.8
64.69916	0.5
69.24612	4.0
91.44596	0.5
97.06597	0.8
132.67903	0.5
138.56941	0.5
172.21388	0.5
173.81932	0.5
257.41116	0.5
301.25433	1.4
319.26495	16.5
320.26709	1.2
339.93347	0.6
345.24353	1.5
361.23633	1.0
361.27530	12.4
362.27969	2.3
377.26974	0.9
405.26492	100.0
406.21671	1.1
406.26843	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	406.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98840	22.1
69.26797	70.1
71.01388	39.3
72.61086	7.7
72.70210	8.8
74.02483	13.0
85.02962	15.3
89.02472	40.4
98.22591	16.7
99.04507	11.9
101.02464	23.1
113.02484	25.9
119.03562	14.2
128.03543	20.7
134.03731	11.6
143.04681	20.6
151.04036	15.3
167.08388	10.7
168.44443	9.2
174.34888	10.0
198.81827	10.2
249.06152	10.0
308.07504	14.9
349.11313	25.0
385.13208	8.8
406.17960	49.4
407.13913	15.1
407.19208	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
67.69566	1.0
70.45948	1.7
77.81512	1.0
85.83570	0.9
95.01399	2.2
121.02968	1.4
123.00918	10.7
133.02928	1.5
145.06480	1.0
151.00362	4.1
175.04001	1.3
199.04015	1.9
208.90671	1.0
227.03548	1.1
247.67812	0.9
255.00481	2.0
255.03029	30.5
255.05707	1.7
256.01151	2.1
256.03781	32.4
257.04132	2.2
283.02502	19.7
284.03287	100.0
285.03979	27.0
286.04385	2.6
295.06232	1.4
309.04239	1.3
335.05667	1.3
363.25522	1.1
375.05005	1.7
392.05362	8.2
407.07761	74.0
407.28888	1.3
407.91211	1.1
408.08170	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	407.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
64.93021	0.4
70.85066	0.8
83.01370	0.5
84.32648	0.5
95.01408	2.6
104.02734	0.4
107.01386	1.4
123.00899	12.1
125.02458	0.7
132.02217	1.0
133.02959	1.7
134.27722	0.4
149.02443	1.2
151.00378	4.4
155.14505	0.4
157.02974	0.4
175.03979	1.2
183.04463	0.9
187.03828	0.4
188.52715	0.4
199.03995	1.0
211.03951	0.9
216.04204	0.8
217.04965	0.7
223.03951	0.7
227.03525	2.0
239.03490	0.7
240.04230	0.8
241.04956	0.5
243.02968	1.4
255.03003	14.7
256.03778	37.3
257.04181	2.6
259.78589	0.4
267.03055	0.6
268.03836	0.7
271.02292	0.6
283.02527	15.1
284.03275	99.5
285.03986	37.1
286.04434	2.5
293.04510	0.7
295.06015	0.7
299.84500	0.4
307.05936	0.5
308.06784	0.6
308.10623	0.4
309.03885	2.1
319.06131	1.5
320.06519	0.4
321.04037	0.6
323.05594	1.9
331.26517	0.5
335.05545	2.2
336.06354	0.5
347.05676	0.9
348.06329	0.6
363.05231	0.5
374.04337	0.5
375.05139	2.8
376.05835	0.4
392.05414	13.8
393.05713	1.5
407.07751	100.0
408.08060	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	407.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.07741	2.5
63.02388	7.6
66.46062	2.4
69.12227	5.2
69.12626	21.0
71.01393	46.7
71.05007	7.7
72.99312	2.8
73.02954	34.8
74.73464	2.4
77.84850	2.4
79.05560	3.9
80.02676	10.1
81.03456	3.0
83.01389	10.6
85.02945	12.3
89.02460	6.1
89.03992	4.9
91.05529	5.7
93.03463	8.6
99.00885	4.5
99.08181	8.6
101.02461	33.2
101.06093	7.1
106.04284	15.5
109.65749	2.5
111.04537	17.6
113.02484	15.7
119.05038	6.1
129.07085	3.9
131.08704	4.8
132.27878	2.3
133.06607	4.0
137.02452	3.1
141.07138	3.0
143.05054	28.6
143.10733	4.6
144.05792	10.1
157.06645	5.1
159.08170	97.5
159.35249	2.7
160.08559	5.9
161.04539	4.6
201.15054	12.3
203.07233	17.6
245.13904	7.7
298.33392	3.1
407.19174	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93082	2.1
59.01369	3.2
59.35579	1.9
60.38544	1.7
70.41998	2.5
70.42361	6.9
71.01376	2.5
76.42238	1.7
78.95920	2.5
87.00900	2.0
96.97000	1.9
109.02927	2.6
123.04494	3.2
135.04510	3.7
148.01700	20.2
151.04053	3.8
153.05621	23.8
153.40068	1.8
162.49736	1.8
163.04054	31.8
164.04398	2.2
174.13737	2.0
175.67279	1.9
181.05093	45.3
182.99911	2.3
196.03847	2.0
211.06155	100.0
212.06433	5.0
217.00192	2.3
234.09460	1.7
236.19777	2.1
243.03671	5.4
267.07349	2.2
288.83292	1.8
302.81049	1.9
391.04501	4.6
409.05786	3.6
409.22366	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20366	1.1
57.85960	1.1
59.01385	35.6
61.98833	3.1
71.01389	26.6
71.26283	1.3
72.99313	2.5
73.02952	3.4
85.02947	3.9
87.00916	3.3
89.02454	30.3
89.02972	2.3
93.03478	3.5
101.02458	12.8
105.03469	3.4
113.02484	5.0
119.03501	3.6
119.05051	1.8
121.02967	5.9
122.03761	7.5
131.03529	10.4
135.04575	3.0
136.01678	2.2
137.02454	1.8
149.02464	37.9
149.04524	15.1
150.03242	57.2
151.03786	3.5
161.04570	2.1
163.04021	2.1
164.04799	11.4
165.05586	100.0
166.05902	4.7
180.04279	2.8
191.05661	4.0
195.06647	21.4
195.08319	1.7
213.07735	1.6
218.60899	1.2
265.95221	1.2
285.07767	5.9
286.08456	7.1
301.10864	16.2
349.14709	2.1
349.18817	1.7
361.12952	45.2
362.13266	4.8
407.55350	1.4
409.16336	2.7
409.22278	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07176	2.4
59.01377	13.1
66.87137	2.8
69.14629	19.7
71.01373	12.3
73.02953	5.4
75.00861	5.2
75.16345	2.5
82.48833	2.5
85.02953	5.6
89.02456	5.2
99.00904	2.8
101.02431	5.2
109.75487	2.6
113.02510	3.3
121.02969	100.0
122.03319	4.7
131.03465	3.1
277.09338	2.8
347.09799	6.4
379.29916	4.1
381.45355	2.8
409.13660	6.2
409.31049	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03445	1.4
58.00600	3.2
59.01385	100.0
69.09833	2.6
69.10240	9.8
71.01392	58.0
71.39043	1.2
72.01719	1.6
72.99300	4.4
73.02977	2.5
78.95905	1.4
79.44218	1.3
80.48987	1.1
81.12913	1.4
83.01424	3.1
85.02955	10.7
87.00870	2.8
89.02457	66.4
95.01399	6.2
96.95979	1.8
101.02454	30.8
102.02799	2.0
113.02464	21.0
119.03518	24.4
131.03548	2.6
139.52940	1.3
143.03484	2.9
149.04570	2.9
159.08177	78.2
160.08508	5.1
161.04520	2.1
179.05617	3.9
185.09773	6.1
223.76151	1.3
229.08720	51.7
230.08954	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	409.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76293	0.9
56.60935	0.7
57.03448	2.0
58.00592	3.5
58.76407	0.7
59.01384	88.2
60.01752	0.9
61.98826	1.6
69.03458	1.4
71.01389	67.4
71.27340	0.8
71.95545	0.8
72.01725	1.1
72.99308	5.5
73.02573	1.1
73.02951	8.8
75.00878	2.4
81.03449	0.9
82.28468	1.0
83.01409	2.8
83.05038	1.1
85.02964	11.1
87.00879	8.4
89.02455	100.0
90.02799	2.1
92.38750	0.9
95.01388	1.3
97.02932	0.9
99.04549	1.1
101.02454	39.3
103.31633	0.7
111.00912	1.3
113.02457	13.5
119.03526	7.1
125.02452	2.8
131.03523	32.5
139.14583	0.8
143.03505	1.8
149.04573	58.3
150.03250	4.3
150.04948	2.0
157.68803	0.8
161.04558	2.8
161.50616	0.8
165.05566	7.1
179.05553	1.0
180.04103	0.9
191.05647	14.5
195.06638	1.6
246.74217	0.8
263.00903	1.0
277.13080	1.1
328.64404	0.9
349.14911	1.0
349.18820	1.7
409.17206	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
58.00592	3.1
59.01387	87.9
61.98826	1.8
69.03436	1.5
69.73686	2.0
69.74094	3.0
71.01389	63.9
72.99316	5.9
73.02963	10.4
75.00877	2.1
83.01403	3.4
85.02959	10.3
85.32420	0.9
86.00114	0.9
87.00881	8.4
89.02457	100.0
90.02785	1.4
93.03486	1.3
95.01369	1.2
95.05013	1.7
97.02983	1.3
99.00906	1.9
101.02457	40.5
105.03465	1.7
111.00930	0.9
113.02471	12.9
113.06229	1.1
115.07725	1.0
119.03516	6.4
119.05010	1.0
122.03735	2.5
123.04556	1.3
125.02470	1.9
131.03520	31.5
149.02495	3.9
149.04579	56.1
150.03262	16.6
150.04959	2.6
159.04829	1.2
161.04565	3.2
163.13115	1.0
165.04193	1.4
165.05580	22.3
166.05882	1.3
175.03976	1.1
179.05667	1.5
185.13683	1.0
190.98749	1.5
191.05644	15.6
191.07335	1.5
195.06686	8.0
218.99805	1.4
229.08644	1.3
263.00729	1.6
277.12921	3.7
337.80170	0.9
361.13522	1.5
401.47461	0.9
409.16788	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	409.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31536	1.5
55.01866	6.1
57.03430	4.4
58.00581	4.3
59.01385	98.1
60.01704	1.5
61.98807	2.5
65.96139	1.2
69.03442	1.8
70.44572	1.1
71.01389	100.0
71.27551	1.4
71.27928	1.7
72.01740	1.7
72.99298	5.1
73.02948	24.4
75.00874	3.6
83.01398	15.5
85.02959	41.3
87.00876	6.9
89.02454	55.4
95.01410	6.3
97.02964	3.2
97.65954	1.2
99.00892	9.9
101.02454	69.4
102.02752	2.1
111.00871	4.1
113.02460	39.6
113.82168	1.5
119.03523	17.4
119.04984	1.9
125.02441	5.1
126.98103	1.5
129.01978	2.1
131.03526	19.0
135.04527	1.8
143.03493	5.2
149.04573	7.2
159.03000	6.2
159.06358	1.6
161.03275	2.1
161.04575	34.5
179.05608	18.2
180.04324	1.8
191.05612	3.3
221.06700	20.7
233.06766	2.6
235.11836	2.6
247.11928	7.5
263.07657	4.8
277.12933	34.0
277.15921	2.0
278.13171	2.8
349.18640	3.1
367.15967	5.4
409.17075	59.3
410.17334	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	409.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.9
59.01388	30.1
69.03458	1.2
69.21123	7.6
71.01398	4.1
83.05041	3.1
83.31657	1.0
89.02449	1.6
95.01442	1.0
95.05072	1.2
100.19506	0.9
101.02480	1.5
107.05082	2.3
113.02487	1.4
121.06606	1.8
123.08191	1.4
127.04051	1.4
127.36314	1.0
133.20384	1.0
135.08208	2.0
146.69423	1.0
147.08185	12.4
149.09789	2.7
161.09735	2.1
163.11340	5.3
167.50485	1.1
171.08203	3.9
175.11275	2.3
177.12889	5.2
187.11319	15.8
188.08496	1.6
188.11659	1.3
189.09247	5.0
190.10078	2.6
203.10765	5.9
205.12358	100.0
206.12695	9.1
206.30807	1.0
219.13893	1.8
221.65991	1.2
247.13342	2.1
279.92569	1.2
309.81342	1.1
409.15631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24187	0.8
58.00599	1.5
59.01387	100.0
60.01713	1.1
70.41156	0.9
71.01389	19.2
72.99316	1.5
78.95914	1.0
83.01381	1.0
85.02960	3.1
87.00834	1.0
89.02454	26.2
98.35191	0.9
100.52002	0.8
101.02461	8.7
112.28021	0.8
113.02472	6.9
119.03532	9.7
131.03564	1.0
143.03519	2.6
148.54663	0.8
161.04552	1.9
165.01981	1.2
179.05655	8.4
184.39944	1.0
226.04288	0.9
228.77574	1.1
240.29626	0.9
374.14478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
55.29100	1.3
57.03439	2.5
58.00587	1.6
59.01386	100.0
61.98823	1.5
69.79559	3.3
69.79939	2.3
71.01389	48.7
71.87292	1.5
72.99312	3.5
73.02949	8.2
75.00868	2.1
80.73127	1.4
83.01393	6.7
85.02959	18.3
87.00886	3.6
89.02455	41.1
95.01404	2.8
97.02957	2.3
99.00900	4.7
101.02455	42.6
106.39351	1.4
111.04523	1.5
113.02462	21.0
119.03514	15.3
125.27947	1.4
131.03500	2.9
143.03511	5.4
159.02960	2.0
161.04565	16.7
179.05638	9.7
221.25520	1.6
229.10748	2.5
247.06100	1.7
247.11932	3.9
322.68692	1.3
349.18732	15.9
391.33484	1.5
409.11832	2.2
409.16357	9.5
409.21640	2.7
410.17694	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	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	2.5
59.01377	8.3
68.65157	2.3
71.01389	4.0
80.91697	10.8
85.02973	3.1
95.05053	3.0
96.96014	5.9
97.02939	5.2
97.06602	3.5
98.01270	2.5
99.92596	21.2
103.47250	2.2
115.92090	10.0
116.92873	7.6
153.12805	3.5
157.23509	2.5
165.12872	21.9
171.10298	6.8
193.08473	12.0
193.12238	2.9
205.12000	4.3
207.10089	20.1
211.13449	18.9
219.10031	5.6
221.11684	12.5
229.14487	8.4
231.10092	10.6
233.11644	100.0
234.11971	8.2
243.10049	3.3
249.09413	3.6
249.11081	8.7
251.11467	34.6
252.11612	8.6
261.11127	25.8
279.11127	3.6
294.05655	7.0
313.18109	3.5
327.21790	45.1
328.22147	5.5
331.18866	16.0
349.19974	86.2
350.20163	9.6
367.46762	3.0
373.11487	2.5
374.12271	2.5
409.20804	7.6
410.13965	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52688	8.4
74.44012	1.2
75.11406	1.4
78.95917	81.9
96.96990	7.3
98.96552	1.3
141.22362	1.4
150.98013	2.0
152.99608	100.0
171.00629	1.7
181.85284	1.4
255.23303	2.1
264.97214	1.2
409.23489	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	409.2363
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
50.41554	1.2
56.59804	1.2
69.88367	4.9
78.95911	80.0
88.84216	1.2
96.96980	5.8
150.98021	1.5
152.18460	1.2
152.99599	100.0
171.00526	2.8
200.28143	1.3
409.23376	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	410.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	86.2
61.98818	14.6
71.01396	36.3
82.41212	10.8
85.02953	18.5
87.00904	13.7
89.02468	19.5
94.49643	12.6
96.96009	14.8
101.02428	23.1
147.22269	11.4
148.05368	20.0
163.07634	22.6
410.25485	100.0
411.25711	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	410.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	5.8
59.01379	40.2
61.98838	9.5
70.82480	9.8
70.82812	8.8
71.01382	44.3
73.02952	10.3
83.01382	6.0
83.19315	5.8
83.34653	5.7
85.02962	13.8
89.02457	22.9
101.02480	30.1
113.02442	11.9
118.05106	9.9
131.03551	10.0
131.70235	6.1
134.03760	7.0
161.04575	7.5
163.85132	5.7
176.69315	6.6
179.03555	6.7
191.05617	12.6
193.05099	6.3
235.11888	44.2
237.56671	5.9
299.85483	5.8
348.84558	6.0
367.16165	100.0
368.16443	14.2
375.06949	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	410.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88288	0.7
59.01386	100.0
60.01730	3.0
61.98824	4.6
64.46247	0.6
71.01408	3.2
71.27183	1.4
73.02959	1.3
74.01516	0.7
80.17990	0.6
83.01415	2.0
85.02985	1.3
89.02467	1.6
101.02488	2.2
104.46679	0.8
113.02462	1.0
123.27868	0.7
127.00352	1.0
135.04575	1.5
149.29269	0.7
161.04623	0.9
162.09357	1.6
308.18036	1.0
393.12238	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20344	8.3
56.55902	9.2
59.01387	96.0
68.26608	7.8
71.01395	100.0
71.25137	12.2
72.99318	12.8
73.02974	18.0
83.01409	11.6
85.02960	23.7
87.00903	19.9
89.02440	63.8
99.00902	16.5
101.02456	45.2
113.02457	27.5
119.03529	27.1
122.03790	22.4
126.98853	12.7
130.08723	50.1
145.02998	13.7
150.03171	12.6
161.04538	21.0
162.03175	17.0
165.05580	19.1
168.99884	11.8
177.05664	15.6
179.05684	23.1
181.03543	15.2
195.06665	12.8
201.13846	8.8
206.08252	18.1
207.01576	14.1
222.03821	45.0
223.04617	17.8
248.01740	19.8
249.02661	23.0
249.09897	22.5
253.68539	10.7
325.11224	9.3
330.98199	11.9
351.05917	96.3
357.11755	17.4
375.12900	14.9
394.10767	10.9
411.08417	36.8
411.15292	14.4
412.12424	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	411.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24604	5.9
55.09932	5.7
59.01384	23.0
61.82302	4.7
61.98824	5.8
69.68307	22.3
71.01389	20.0
72.00912	5.9
72.63064	5.1
73.02960	6.8
80.42266	5.3
85.02979	9.6
87.00880	9.3
88.38594	6.4
89.02470	6.9
101.02460	13.2
119.05017	7.0
147.04561	15.1
149.02455	21.0
150.03250	44.6
161.04533	8.1
164.04816	19.0
164.07211	22.4
165.05592	100.0
168.39709	5.1
175.62968	6.6
195.06639	38.1
326.21109	5.7
327.10852	25.7
384.89679	5.6
411.09702	7.6
411.14301	25.0
437.04846	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	411.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01384	3.7
68.03976	0.8
68.99559	1.9
69.75743	3.2
71.01389	12.2
72.99345	1.0
73.02957	2.0
83.01397	2.8
85.02975	2.8
87.00878	1.2
89.02461	1.4
99.00886	4.7
101.02465	4.6
111.00886	4.7
112.98733	4.5
113.02441	1.1
115.00362	1.3
118.96493	0.8
119.03514	1.1
129.01953	5.9
130.08752	100.0
130.86349	0.8
131.09114	2.6
145.01456	1.5
146.99791	0.8
161.04579	2.3
173.00938	2.5
188.12137	0.8
237.09842	1.7
245.05887	0.9
281.12509	2.4
411.09558	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.98370	4.9
65.03963	5.7
67.27661	4.1
69.03455	17.1
70.30759	6.7
70.31089	10.3
71.01039	4.0
71.01392	94.5
71.05000	4.5
72.99300	5.4
73.02953	16.9
75.00910	4.7
81.03472	7.7
83.01407	6.0
85.02962	29.2
87.00888	5.6
88.97701	5.0
89.02455	63.5
93.03486	41.4
95.01353	6.5
95.05051	22.4
99.00902	9.0
99.39563	4.7
99.92607	16.4
101.02448	57.6
101.06074	8.2
103.04030	4.9
105.03494	12.8
107.05049	98.5
111.04536	5.6
113.02460	27.6
115.92091	15.1
116.07714	5.3
116.92867	58.1
119.03505	23.2
119.05042	11.1
121.02982	5.9
123.04554	8.1
125.73414	4.6
133.06642	7.8
137.05992	4.4
139.04001	5.2
141.05576	9.2
143.05060	8.3
145.06630	23.0
147.04567	7.0
147.08223	7.0
158.34981	4.0
159.24200	4.4
161.04626	13.0
161.06078	7.2
163.07677	11.0
175.07713	9.2
179.05743	6.1
179.07196	7.8
182.75760	4.4
187.07645	7.1
191.05638	6.9
193.08698	11.1
195.08116	4.4
201.09196	4.7
205.08714	18.0
231.10240	36.7
233.11754	4.8
249.11435	42.2
352.10406	5.5
398.53888	4.4
410.99866	5.8
411.17130	5.5
412.17273	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1669
Annotation	Pteroside S
Peak:m/z	Relative Intensity
55.01880	2.1
55.90989	1.7
57.03452	4.2
58.00600	5.3
59.01386	100.0
59.76814	1.8
60.13187	2.0
65.03973	2.9
67.41972	2.0
69.00108	19.0
71.01392	73.0
72.99306	8.3
73.02952	5.1
81.02715	2.1
83.01387	4.0
83.03236	1.9
84.04557	2.6
85.02972	18.0
87.00895	7.8
89.02457	63.7
89.03987	3.4
93.03477	1.9
95.01411	5.9
97.02977	8.3
97.56377	2.4
99.00915	2.1
101.02451	46.6
113.02470	25.6
119.03503	30.4
121.06592	2.0
125.02459	3.3
127.87590	2.1
131.03641	4.8
134.03760	3.1
135.08171	6.7
147.04550	3.6
149.06093	2.0
155.08662	2.0
157.10236	6.4
161.03574	98.4
162.03900	3.1
167.07185	2.3
186.06934	4.7
187.11429	2.0
188.10818	2.8
191.05542	3.0
213.09222	3.6
231.10291	27.0
232.09781	21.6
249.06194	4.5
249.11414	2.9
353.06552	2.2
394.61194	2.3
411.10617	5.8
411.16602	22.7
412.16217	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	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68438	1.2
54.54349	1.3
55.01878	1.6
55.34286	1.1
57.03439	2.1
58.00595	3.2
59.01389	31.5
64.60004	1.1
65.18260	1.1
69.03454	3.6
69.48002	1.1
69.57700	6.7
71.01389	27.4
73.02953	6.1
77.03975	8.0
81.03472	2.9
83.01396	5.2
83.05032	6.5
84.02187	4.3
85.02953	9.5
85.06601	37.5
87.00883	1.3
87.02393	1.6
87.04523	1.5
87.08192	2.1
89.02459	8.3
93.03462	3.1
95.01363	1.8
95.03651	1.1
95.05043	10.7
96.18303	1.3
97.02968	2.3
97.06606	9.7
99.00871	2.4
101.02454	15.4
105.03475	100.0
106.03778	2.6
107.05045	20.3
113.02483	8.8
113.06106	5.5
115.07666	22.0
115.92118	1.6
116.92896	1.9
117.03439	2.1
119.03496	2.7
119.05005	2.9
121.02972	2.7
123.04562	2.2
123.79659	1.2
125.06094	26.3
126.06471	1.5
134.06172	2.9
135.04556	7.6
143.07162	82.2
144.07498	3.5
147.21092	1.2
159.03069	2.5
161.04617	6.4
164.07199	1.2
188.07271	1.6
190.05081	1.8
190.92165	1.0
191.05644	1.3
201.27647	1.1
204.06712	2.1
231.10258	3.6
249.11267	4.7
249.13521	1.5
351.20172	2.8
384.12933	3.9
392.27600	1.5
411.17966	1.4
412.12543	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98845	11.6
69.17647	77.3
71.01401	51.3
73.02934	13.2
83.44415	8.6
85.02949	14.3
86.78922	8.3
89.02464	31.5
90.95724	8.3
92.09905	8.0
101.02457	36.8
101.12968	8.7
105.03512	9.4
113.02438	15.6
119.03561	11.4
119.05091	10.8
144.59235	9.8
205.08669	15.8
272.32846	9.7
370.01672	10.0
411.16281	16.8
419.30972	10.6
421.88965	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	411.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
63.07633	9.7
71.01385	48.4
75.87299	9.5
76.92537	10.0
79.10886	8.3
81.51440	8.0
85.02953	25.9
85.87171	8.8
87.00864	12.7
89.02452	29.3
101.02470	24.2
113.02490	22.0
119.03521	22.2
159.08119	9.4
183.14278	10.8
191.05547	11.5
309.20636	9.2
411.16376	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	411.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
57.03455	6.9
58.00601	4.3
59.01385	81.6
61.98836	2.3
64.54312	1.7
69.03445	3.8
69.20035	13.4
71.01391	100.0
72.99319	8.2
73.02959	30.8
75.00905	2.4
76.00418	1.8
80.06120	1.8
83.01397	18.6
85.02965	42.5
86.68100	1.5
87.00885	8.5
89.02456	48.5
93.03485	2.5
95.01407	4.4
97.02982	4.1
98.21723	1.5
99.00884	13.8
101.02459	84.9
102.02819	2.0
111.00883	10.7
113.02464	28.3
115.04015	3.4
119.03540	4.9
125.02406	8.1
127.45039	2.3
129.02000	2.9
131.03517	30.2
133.03108	2.4
134.03844	2.4
135.04590	13.9
143.03520	5.1
149.04578	13.6
159.01491	1.6
159.03012	6.5
161.02437	7.5
161.04576	25.7
179.03528	12.3
191.05647	24.9
201.01709	7.8
203.83969	2.1
233.06689	7.1
279.14529	96.8
280.14825	6.0
281.95682	1.8
281.98743	1.9
311.78003	1.8
375.07010	43.5
376.07404	4.2
411.18759	68.7
412.19077	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	411.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01386	100.0
69.03480	0.9
71.01391	25.0
72.99310	1.0
73.02956	24.6
77.96851	0.9
83.01406	7.6
85.02950	3.8
89.02457	7.6
95.01353	1.3
101.02460	23.8
113.02478	9.0
119.03519	2.1
122.93769	0.8
125.02439	1.5
131.03545	2.4
137.09749	6.9
143.03502	1.2
149.04573	1.5
155.03555	1.0
155.49548	0.8
161.04497	3.7
189.12802	0.8
275.28485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08705	1.2
53.12263	1.3
59.01384	100.0
60.01727	1.3
61.98837	1.6
71.01391	20.4
71.27258	1.9
73.02956	12.2
81.03422	1.4
83.01392	3.2
83.05023	2.6
85.02953	5.1
87.00905	1.5
89.02448	8.9
95.01441	2.5
101.02457	14.6
113.02454	9.5
119.03535	4.0
127.04021	1.6
127.05556	1.3
131.03456	1.5
137.09726	5.7
161.04535	2.1
179.05640	1.3
179.29602	1.5
189.12860	1.7
298.41577	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	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
59.98252	1.2
76.36872	1.2
77.17233	1.1
80.91698	2.1
83.05034	1.7
84.02145	1.6
95.04996	1.5
97.85214	1.2
99.08185	3.3
99.92592	15.0
107.71818	1.1
115.92113	7.4
116.92848	2.6
121.43008	1.2
124.14097	1.0
127.07671	1.8
127.11295	2.0
132.15379	1.1
137.09763	1.5
139.11296	4.8
142.48386	1.1
146.61516	1.0
149.09497	1.1
163.11218	2.1
165.12875	19.7
165.26631	1.1
167.10762	1.1
171.10255	7.6
183.13925	4.1
193.08470	16.6
193.12204	1.9
203.10616	1.7
205.12148	2.8
209.07834	1.3
209.11880	1.3
211.13429	22.9
219.09961	1.2
221.11713	8.8
225.13486	1.4
229.14473	9.7
231.10162	6.8
233.11604	100.0
234.11961	6.3
249.11424	10.2
251.11464	22.4
251.12471	18.4
252.11589	3.6
263.08749	1.1
268.53384	1.2
285.03433	1.4
293.20679	1.2
294.05627	8.0
329.23346	39.5
330.23618	4.5
351.21509	67.5
352.21927	5.4
411.22281	5.5
411.90332	2.1
412.15494	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	411.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
60.44206	2.3
61.98833	17.1
64.35381	2.4
69.34751	5.0
69.35152	9.6
80.91669	4.1
98.22502	4.1
98.46592	2.1
99.92591	18.3
115.92130	3.2
116.21278	2.6
125.09743	5.6
127.11304	4.6
139.11307	16.9
141.09209	3.7
155.10811	10.7
171.10272	18.3
181.08473	3.4
185.94785	2.3
193.06680	5.8
193.08458	100.0
194.08792	2.8
196.05431	2.5
197.10390	3.1
201.11343	10.5
204.99025	2.8
207.09999	6.9
223.01021	2.7
223.09653	25.3
225.09875	19.9
230.75296	2.6
240.04454	2.7
241.09264	11.2
267.08563	3.2
268.04083	9.5
329.23373	36.1
330.23578	2.7
333.19919	3.0
351.21484	68.6
352.21643	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	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	66.4
59.97777	23.0
61.82026	19.4
69.05766	100.0
69.06197	93.3
72.61545	19.1
93.49611	21.2
98.21740	23.6
104.92439	22.4
114.45428	24.4
146.08820	21.4
299.84033	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01403	0.9
59.01375	2.5
61.98819	3.4
62.07248	0.9
68.97301	5.4
68.97726	2.2
71.01376	2.3
74.02502	1.5
85.02946	0.9
85.14675	0.8
87.00895	1.3
89.02440	1.2
96.96032	1.7
98.02510	1.5
100.00417	100.0
101.00733	0.8
108.02177	2.1
108.04569	4.0
115.73357	0.7
118.03000	7.4
119.05040	12.7
123.04531	1.9
134.03755	37.7
135.04480	1.2
144.04559	8.9
145.02890	1.1
147.04521	2.3
148.05217	1.0
149.06094	44.2
150.06456	2.6
160.01671	4.2
162.05637	10.7
163.04015	13.4
163.06323	1.5
170.42900	0.8
173.04849	0.8
174.05421	1.0
175.03990	6.7
178.08755	2.0
188.03551	17.0
188.22346	0.8
189.05554	2.5
190.05080	7.8
191.03687	1.7
191.05876	15.8
206.04672	0.7
206.08252	5.8
207.06671	1.2
223.43575	0.7
232.06107	2.1
233.05710	3.0
250.07220	75.0
251.05327	1.5
251.07758	5.0
338.59854	0.7
407.15088	0.8
412.12531	18.5
413.11908	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98890	0.4
61.98838	100.0
71.26851	0.6
84.15777	0.4
94.73569	0.4
97.06658	0.6
141.96881	0.5
169.87843	0.4
171.10352	0.6
207.96684	0.4
211.13484	1.4
229.14445	1.0
327.21780	4.9
328.22250	1.2
329.10660	0.4
397.88849	0.4
412.19559	7.2
413.19766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	71.5
64.27544	14.1
69.30547	51.4
69.30975	64.4
71.01382	43.1
88.33063	14.0
89.02477	37.0
98.21733	15.7
101.02448	29.5
113.02486	24.2
129.06709	16.6
140.86162	15.6
201.08707	14.4
266.15237	29.4
347.17932	51.0
368.28384	16.7
413.19934	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	412.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.0
64.04625	0.4
71.01384	3.0
71.25857	0.6
71.39716	0.4
73.02944	0.5
79.09284	0.4
82.68812	0.4
83.01367	0.5
85.02967	1.3
89.02473	0.9
99.00876	0.8
101.02472	1.9
103.92094	0.5
113.02450	1.2
119.03545	0.5
121.70599	0.4
130.08754	100.0
131.09138	4.0
138.08089	0.4
151.97815	0.4
157.03563	0.5
159.02989	0.6
161.04541	1.3
167.01981	0.5
203.90700	0.4
208.97673	0.5
250.98654	0.4
251.11392	1.2
255.08315	0.7
281.12500	3.4
308.97836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	1.7
59.01382	26.3
69.35948	6.7
71.01386	4.9
85.02978	2.8
87.00912	1.3
89.02479	2.5
93.03479	1.3
98.22498	2.3
101.02449	1.9
104.02679	6.7
105.01980	1.9
109.23206	1.3
111.41489	1.3
119.05050	80.6
120.05375	4.9
135.04543	1.1
136.03987	1.1
148.01688	9.1
163.04036	88.2
164.04391	2.2
172.52286	1.2
176.01173	84.7
177.01544	4.4
191.03526	100.0
192.03821	5.7
201.03819	1.2
235.11899	1.6
249.57721	1.2
251.05670	3.0
291.99832	1.5
325.09326	4.4
367.16153	6.5
413.10898	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	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76682	1.0
54.00964	0.9
59.01097	1.5
59.01387	30.0
69.09830	7.9
70.24728	0.9
71.01382	3.3
77.37195	0.9
85.02956	1.2
89.02435	1.8
96.96048	1.1
98.21798	1.9
99.00905	1.1
101.02430	1.1
104.02685	5.4
109.02953	1.1
111.22564	0.9
113.02506	0.9
131.51906	0.9
135.04530	2.0
148.01686	9.9
148.05261	1.2
161.04590	1.0
171.43974	0.9
176.01173	82.8
177.01515	5.5
177.05556	1.0
191.03537	100.0
191.05342	3.4
192.03860	5.9
193.05087	1.2
207.06673	1.0
221.04546	2.8
221.08252	1.2
236.06802	2.1
251.05998	0.9
251.09196	6.1
281.00955	1.0
413.02975	1.0
414.23636	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	413.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01812	1.8
56.61065	1.8
59.01092	2.9
59.01387	51.8
61.98819	2.5
63.69398	1.8
65.03963	2.1
71.01396	14.2
71.26221	3.0
76.17090	1.8
82.95461	2.3
85.02956	4.9
89.02456	12.9
93.03484	11.6
93.14967	1.9
95.05054	2.3
96.01662	1.9
97.02981	2.6
99.00882	5.7
101.02464	6.8
104.02676	4.6
107.05038	4.5
112.26387	2.1
113.02442	5.8
114.05579	2.1
119.03504	3.4
119.05085	9.3
128.03525	1.8
134.03789	2.1
135.04573	2.5
137.06107	3.4
148.01683	8.2
161.04488	3.2
172.03819	2.1
176.01176	76.9
177.01657	3.5
177.05475	2.4
189.05606	3.1
191.03542	100.0
191.05476	6.3
192.03857	7.5
193.05029	3.5
233.11798	4.6
251.05614	4.4
251.09120	2.2
251.12881	5.3
414.23621	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.9
61.98807	1.5
69.58057	4.8
71.01375	3.4
85.65213	1.0
87.00867	2.4
93.03482	1.2
96.96006	1.7
98.02483	4.2
98.48347	1.0
101.07227	1.2
105.01913	1.1
108.04569	25.7
109.02920	1.9
118.03010	51.1
119.03323	1.6
119.05046	20.9
120.04546	3.3
134.02501	7.7
134.06108	2.5
135.04535	3.7
142.01479	2.2
144.04565	59.2
145.02977	1.7
145.04898	2.8
145.06128	2.3
149.06056	1.9
161.06079	3.4
162.05621	63.6
163.04044	20.7
163.05971	3.8
164.04402	1.2
176.01146	3.4
188.03549	100.0
189.03906	5.5
189.05630	4.9
191.03529	4.2
206.04665	3.3
207.06253	1.4
207.07756	5.0
233.05786	21.5
251.05919	6.1
251.06332	5.8
251.09398	2.4
350.08868	2.6
410.32288	1.0
413.12021	62.1
414.12216	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	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	32.4
69.03467	6.3
71.01394	33.9
71.11900	11.4
85.02968	16.0
87.00892	4.8
89.02450	22.5
91.20216	4.7
93.03484	7.3
95.05054	7.5
101.02465	14.4
105.03470	89.5
105.04122	6.8
107.05042	9.4
113.02464	11.2
119.06739	4.7
120.90431	4.8
123.04594	6.2
133.02982	15.4
135.04556	10.6
138.75694	4.6
154.99895	12.9
161.02472	92.2
161.04541	6.7
162.03250	36.2
176.04805	79.4
177.05576	33.8
179.03516	16.7
191.07146	60.0
194.05838	10.3
209.08224	100.0
210.08511	5.5
233.20415	4.9
251.13022	10.2
255.80830	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04875	1.1
54.46765	1.2
55.01866	4.7
57.03443	4.4
58.00581	2.0
59.01383	44.0
61.78251	1.1
61.98817	2.5
68.94884	10.6
68.95303	2.7
69.03440	2.0
71.01389	68.2
72.01676	1.1
72.99297	2.8
73.02955	16.1
75.00867	1.9
77.26303	1.1
83.01015	1.0
83.01408	10.5
85.02964	26.6
86.03278	1.9
87.00868	5.4
87.04490	1.1
89.01945	2.1
89.02454	17.5
90.97154	1.3
91.21204	1.1
94.51225	1.1
95.01411	6.7
96.96028	1.3
97.02987	3.0
97.65192	1.2
98.22645	2.3
99.00877	8.5
101.02451	51.6
108.02191	22.4
108.30814	1.1
109.03008	8.6
112.37206	1.2
113.02458	28.0
116.19646	1.2
119.03567	6.5
119.05012	1.7
125.02457	2.3
129.01964	1.5
131.03506	2.2
135.04564	1.4
143.03500	5.0
152.01176	9.7
153.01912	6.9
159.02962	6.2
161.03264	1.9
161.04591	32.1
164.04865	1.2
164.98705	1.7
165.05493	2.3
175.82201	1.3
179.05692	1.8
182.99744	7.6
185.22020	1.3
189.05540	2.7
196.97713	6.8
208.97697	39.0
209.01208	5.5
210.99269	3.0
217.00131	1.5
221.06665	3.4
222.99391	1.4
224.00053	14.7
224.97241	6.1
225.00726	4.1
234.99251	8.5
235.99680	1.7
236.97229	2.4
248.97260	1.3
249.97995	12.0
250.98767	42.0
251.11365	61.3
251.99069	3.2
252.11696	3.6
262.98779	2.0
265.00195	2.7
290.98035	1.6
315.07242	16.4
353.01920	100.0
354.02335	8.8
369.18738	1.3
397.00983	4.6
413.04156	14.8
413.16644	59.6
413.80554	1.3
414.04221	1.7
414.17102	6.1
422.24026	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
57.03439	3.0
57.04088	1.7
58.00584	5.4
59.01384	100.0
60.01704	1.8
60.49647	1.5
70.32130	1.5
71.01387	65.4
72.99302	7.1
73.02953	8.1
81.99033	1.5
83.01393	5.8
85.02959	17.5
87.00872	4.0
89.02457	59.9
91.05534	1.9
95.01384	6.3
97.02951	6.3
98.22532	3.6
99.00869	3.4
101.02456	40.0
112.24508	1.6
113.02464	31.5
114.02771	1.4
119.03513	23.8
125.02457	2.9
129.05589	4.5
131.03493	4.0
137.06133	1.8
143.03485	3.0
150.64542	1.6
159.03029	2.6
159.11816	4.5
160.05240	3.9
161.04552	8.6
179.05659	2.8
189.12859	2.8
205.03757	1.6
233.11859	27.5
234.12189	2.4
237.06082	2.7
251.09171	2.1
413.17972	26.1
414.18777	2.7
437.26483	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	413.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	4.4
57.03463	3.7
57.63773	2.6
58.00602	3.1
59.01387	94.3
63.02399	8.8
65.03970	2.7
69.29333	19.5
71.01391	100.0
72.99320	8.0
73.02961	16.4
81.03473	6.8
83.01402	9.4
83.05073	3.2
85.02955	33.8
86.00075	3.6
87.00909	13.3
89.02460	65.8
91.05554	3.7
93.03461	12.9
95.01409	7.2
95.05035	7.3
96.37527	2.6
97.02982	3.9
99.00906	6.3
101.02464	43.2
107.05061	7.1
109.02979	4.2
109.06580	3.9
113.02483	33.1
113.03251	3.6
113.03565	3.8
119.03545	24.0
119.05032	36.3
125.02489	6.1
129.01964	4.4
129.10374	3.7
130.49678	3.0
131.03522	3.4
134.03729	5.9
137.06102	6.6
143.03549	3.9
145.05066	15.1
146.97620	2.7
154.99911	6.5
159.03053	3.5
161.04610	17.4
172.11592	2.6
177.05643	5.8
177.09245	4.6
179.05630	5.9
191.05501	3.4
193.05080	4.4
193.08678	3.0
205.03598	5.5
207.10298	6.6
233.11913	10.6
235.08292	12.3
237.06131	5.7
251.12817	7.0
318.24194	2.8
358.84164	2.9
371.16699	2.6
414.23712	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	413.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.6
57.03453	4.5
59.01387	100.0
67.83848	2.0
69.03504	3.6
71.01391	56.9
71.27403	2.6
71.27776	2.9
72.99322	3.2
73.02968	12.5
74.02476	3.0
83.01383	4.0
83.46892	2.5
85.02953	21.1
87.00871	3.9
88.04053	2.6
89.02458	21.7
93.03462	12.5
95.01410	5.2
95.05070	2.7
97.02978	2.7
99.00866	5.6
101.02443	33.0
113.02464	24.4
114.05663	2.3
119.03518	9.0
119.05059	13.5
124.32387	2.6
130.06290	2.6
135.04469	2.7
137.06102	5.7
145.06616	7.7
154.99910	4.0
159.02997	5.0
161.04607	25.3
163.07730	2.7
179.05643	3.6
191.05650	2.4
215.10855	3.4
233.11945	3.9
354.82935	2.3
371.16919	3.2
412.18411	2.9
413.22266	6.0
414.23639	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	413.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86095	1.0
55.01867	2.8
56.38588	0.9
57.03445	1.4
58.00585	2.8
59.01387	97.5
60.01707	1.3
69.03323	10.0
71.01395	51.4
72.99314	5.9
73.02944	4.7
74.09613	1.0
75.00868	2.0
76.23267	0.9
83.01392	4.2
85.02959	15.0
87.00880	2.5
88.91120	0.9
89.02457	36.0
95.01396	4.0
97.02958	21.0
98.03300	1.6
98.21973	4.3
99.00894	2.2
99.04509	1.2
101.02460	30.5
102.02868	1.2
109.06683	1.2
109.52309	1.1
111.04530	1.7
113.02468	16.9
119.03528	15.9
125.02437	2.1
134.03789	7.0
135.04558	2.2
143.03532	1.6
145.25279	1.2
149.06075	5.3
159.11801	5.0
161.04602	1.1
179.05634	1.4
179.07050	1.1
187.02505	2.2
193.05077	1.0
207.06657	2.0
207.13855	1.8
208.07368	1.3
210.32249	1.1
233.11864	14.7
237.06140	2.7
251.09352	1.7
251.12843	2.4
267.44275	1.0
381.15079	1.1
413.18192	100.0
414.18469	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29344	1.3
55.01883	1.8
57.03442	2.4
59.01391	21.3
61.98837	26.9
65.26953	1.4
70.84527	2.3
71.01389	27.5
71.54608	1.5
73.02959	8.3
76.84856	1.3
83.01392	2.8
85.02969	13.6
89.02452	6.5
97.11170	1.3
99.00898	5.5
101.02445	11.6
101.92464	1.5
113.02471	10.1
114.11183	1.2
116.85246	1.4
119.03523	1.7
125.02462	2.5
126.33612	1.4
129.01929	1.7
139.28868	1.3
143.53293	1.3
151.00342	4.4
161.02464	1.4
161.04541	1.6
200.25377	1.5
207.91669	1.7
235.16988	8.4
236.17419	1.4
251.16516	3.6
320.60046	1.5
328.22092	2.0
381.09863	3.2
413.13107	14.7
413.21838	100.0
414.13065	1.6
414.22195	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	413.2183
Annotation	Tentoxin
Peak:m/z	Relative Intensity
59.01388	100.0
68.90425	1.0
69.31562	1.0
71.01395	7.9
71.77969	1.0
73.02937	3.4
73.20837	1.0
78.39820	1.1
78.49507	1.2
83.01384	2.2
85.02972	4.8
89.02431	2.3
95.01382	1.2
99.00885	1.2
101.02460	5.2
113.02473	3.9
159.80656	1.0
161.04610	1.4
182.30927	1.0
225.02733	1.0
228.65259	1.1
235.17032	1.9
251.16542	1.2
413.21854	16.2
414.22357	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
57.03461	0.7
59.01386	100.0
60.01734	1.3
70.25265	0.6
71.01390	7.1
73.02962	2.4
83.01402	1.3
85.02975	4.3
85.77003	0.7
89.02479	1.1
95.01436	0.8
98.22557	1.2
101.02461	6.4
113.02495	2.7
161.04570	3.4
209.15561	1.4
224.54070	0.6
275.86008	0.7
353.19781	1.6
371.20862	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	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19968	0.9
55.01889	2.3
57.03448	1.8
58.00585	1.0
59.01389	100.0
61.72525	0.9
64.72240	1.1
65.00320	1.2
71.01397	18.1
72.99304	1.3
73.02961	4.7
75.00916	0.8
83.01386	3.7
84.07879	0.9
85.02961	8.7
87.00903	2.0
89.02464	7.4
89.54169	0.9
95.01417	2.0
99.00900	1.5
101.02461	12.3
107.01432	1.2
107.34933	0.9
113.02475	8.1
119.03538	2.6
123.04575	1.6
125.02477	3.1
127.00411	2.1
143.03500	1.3
151.00391	2.6
161.04594	4.1
161.05940	1.0
163.11314	1.1
167.03519	1.3
173.02470	2.2
173.04605	0.9
186.05273	1.0
191.05646	1.2
215.03517	1.4
220.31354	0.8
251.16611	1.0
253.53178	0.9
285.13443	1.7
341.06680	3.4
413.22598	4.7
413.27252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
59.01387	100.0
71.01402	4.8
73.02962	2.7
85.02954	1.5
89.02472	3.4
95.48430	0.9
100.51906	1.1
101.02469	5.1
113.02425	2.3
161.04649	1.2
167.30339	1.0
168.02905	0.9
219.63885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03441	1.0
58.81585	0.4
59.01387	100.0
60.01718	0.8
70.84025	0.4
71.01394	7.2
73.02949	2.6
83.01413	1.0
85.02959	4.3
85.03418	0.5
85.57209	0.4
89.02480	1.1
95.01407	0.8
95.11900	0.4
99.00915	1.0
101.02457	6.1
106.70018	0.4
111.00942	0.4
113.02470	3.2
136.79390	0.4
158.11684	0.4
159.03070	0.9
161.04593	3.5
175.11488	0.4
209.15591	0.9
236.47093	0.4
251.16635	1.0
278.91083	0.5
353.19861	1.5
371.20776	3.4
413.21967	5.7
414.22272	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50391	0.5
55.79029	0.6
61.98842	3.1
66.03496	0.9
69.19047	1.2
69.19445	4.4
82.03015	3.1
83.02545	0.7
84.00918	0.8
84.04558	2.6
85.04076	3.2
91.05552	1.1
97.04060	0.8
101.07224	2.0
102.05617	4.1
110.02504	2.0
111.05674	1.3
112.02860	1.2
113.03586	8.6
114.63634	0.6
116.05080	3.4
117.03488	1.1
123.05640	3.1
124.02790	0.7
126.04379	0.6
127.05109	0.9
128.05083	2.5
132.08211	1.9
136.39189	0.6
139.05212	0.7
141.06726	100.0
142.07106	3.0
153.10367	4.9
154.06261	2.5
158.06104	1.5
159.01323	0.7
167.04642	6.8
169.09840	1.1
171.09242	0.8
175.08617	0.8
180.11472	2.2
185.07184	0.9
185.09145	0.6
186.07956	1.2
199.05176	0.8
200.05960	1.0
201.06827	1.0
203.08316	2.4
213.06711	1.5
214.07503	23.0
215.08258	14.7
216.08566	1.5
217.09827	2.1
226.10109	0.7
228.09079	0.9
230.94882	0.6
243.15080	5.1
246.12485	5.8
254.15152	1.8
255.15259	0.8
256.12216	1.4
259.10950	2.5
271.14566	33.7
272.14871	2.9
295.13300	2.0
296.14090	2.0
299.15253	1.5
310.15628	1.8
316.54153	0.6
334.00220	0.6
338.18805	1.0
339.18295	3.4
354.20715	1.4
356.19904	1.4
369.23032	8.4
370.23120	0.8
382.17960	1.0
413.21970	28.2
414.22327	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	413.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42234	6.4
51.71848	6.6
59.01133	9.4
59.01386	100.0
60.27273	7.1
61.37597	6.4
66.11181	8.0
69.04678	17.8
69.05083	59.3
98.22562	17.1
144.40306	7.1
177.02267	6.7
187.38374	6.9
303.78723	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	414.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
62.78460	4.4
63.17610	4.4
70.58145	11.3
72.61789	5.3
146.03761	46.9
161.06068	15.5
164.04831	32.1
174.88698	4.4
179.07158	100.0
281.20093	5.4
353.47083	5.2
414.23599	6.9
435.44147	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	414.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96316	6.9
59.01384	56.6
61.98833	18.0
65.06135	8.6
69.02112	27.7
69.02538	55.6
71.01382	31.1
72.99281	9.0
73.02950	8.2
74.02463	9.6
74.87026	9.1
85.02994	13.0
87.00896	9.2
88.04059	80.6
89.02469	26.4
96.00936	15.4
98.02502	18.1
101.02464	14.1
113.02441	15.7
115.87901	7.5
116.07169	10.8
119.03495	11.6
128.03616	13.8
129.10362	15.1
131.04675	10.4
135.03073	13.3
135.04536	12.7
135.94405	7.2
146.03766	13.0
151.57024	10.9
176.01183	19.1
177.01532	16.7
179.07169	17.9
187.10892	10.3
191.03540	18.5
192.03879	18.4
380.18292	100.0
397.20935	18.2
414.23657	27.5
415.22040	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98837	100.0
80.14701	0.8
98.21692	1.0
98.37784	0.6
115.02362	0.6
119.85888	0.8
125.02448	0.7
151.00421	2.2
153.29906	0.8
167.03548	1.0
187.07718	1.7
202.06470	1.1
209.41708	0.7
211.13474	2.0
229.14627	0.8
229.66998	0.9
263.12952	1.2
308.25934	0.7
329.23325	5.7
330.23944	2.0
341.23846	0.8
341.35794	0.7
346.00021	0.8
414.21106	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	414.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.7
57.63488	6.5
59.01141	7.9
59.01390	93.6
67.51657	7.1
71.01391	100.0
71.26405	11.2
72.99303	13.3
73.02950	8.5
83.01358	14.5
85.02947	33.4
87.00887	13.3
89.02456	58.0
99.00891	9.4
100.79968	7.0
101.02463	59.5
111.00957	7.4
113.02494	35.4
118.15951	7.4
119.03512	26.1
121.02983	8.8
130.64481	7.1
144.41118	7.2
147.44777	8.3
161.04524	21.1
196.66125	7.5
256.50562	8.0
415.23593	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	414.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06138	7.3
54.03344	7.9
58.43602	7.6
59.01381	100.0
69.30048	36.6
69.30458	23.4
71.01377	64.2
72.10539	8.2
77.53244	7.9
83.01350	10.5
83.38760	8.1
85.02942	24.2
89.02458	65.6
91.28334	8.9
96.41925	7.4
98.22536	19.6
101.02467	41.4
113.02457	28.7
119.03509	19.0
129.06767	8.2
161.04617	19.7
236.75578	10.2
239.81569	8.4
347.68088	8.7
371.20627	13.3
413.70258	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05873	0.3
59.01387	11.5
61.98827	0.4
69.35130	2.5
69.58581	0.4
71.01392	1.4
72.99321	3.1
73.02946	1.0
74.67342	0.4
74.99384	0.5
78.95921	0.8
82.95435	0.4
85.02979	0.6
89.02445	0.6
94.45237	0.4
96.96977	0.7
97.11372	0.4
101.02448	0.8
108.93761	0.6
117.00464	0.5
119.03490	0.6
123.04539	0.4
128.07201	0.8
130.08755	100.0
131.08278	1.2
131.09108	3.0
134.03781	0.8
135.04559	0.5
149.06024	0.7
164.04890	0.6
168.05225	0.5
172.97812	0.4
173.10414	0.7
176.04816	0.7
179.07124	0.9
188.07834	1.3
191.07117	0.5
193.05171	0.5
194.05847	0.5
199.01054	0.8
201.00891	0.9
201.02577	6.5
202.02695	0.6
209.08292	0.8
228.07373	1.1
230.08868	2.7
234.16563	0.4
243.08478	1.0
253.07228	3.1
270.08307	0.4
271.06335	0.5
272.09955	29.1
273.10226	3.8
283.11319	0.7
299.14536	2.5
301.16254	3.6
302.16730	0.5
336.89163	0.4
414.10962	1.8
414.24640	54.1
415.11716	0.7
415.24863	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	415.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.3
61.98825	2.1
70.02988	1.7
71.01369	5.6
71.26035	2.5
74.02485	3.6
85.02950	2.8
87.05621	1.8
88.04050	18.9
89.02435	3.5
93.03482	1.3
96.00935	2.6
98.02481	3.4
101.02461	3.4
113.03589	2.6
115.08779	5.8
119.03526	2.5
121.02940	1.6
125.02436	1.8
128.03592	3.0
129.10364	2.2
133.02979	1.4
134.03777	7.7
135.04541	82.2
136.04822	2.2
137.02452	4.2
139.04053	1.9
141.06725	1.5
143.11934	2.6
145.06096	2.2
146.03697	6.4
148.05301	1.5
155.11859	1.5
161.04492	1.1
161.06120	3.6
164.04800	2.7
166.08789	1.3
169.09827	2.2
173.04524	2.1
178.02708	5.7
179.03516	100.0
179.06992	9.4
180.03870	4.0
187.10930	2.8
189.10783	1.3
191.05629	2.2
193.04997	1.5
211.06116	2.2
226.64583	1.3
235.06267	2.2
242.18678	2.0
253.07196	79.7
254.07539	5.4
267.09924	1.5
271.82510	1.5
281.19833	1.4
285.19495	2.6
299.20773	1.7
300.19229	2.1
341.09375	1.1
380.18265	15.2
381.18597	1.5
397.20755	4.8
415.12738	9.9
415.21451	11.7
415.26959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01638	25.8
52.29861	27.7
56.65103	25.1
59.01376	73.1
64.94701	35.4
71.01382	31.3
71.28036	34.6
82.70665	28.4
90.34426	25.8
91.58183	35.3
94.99498	28.4
174.43124	30.6
249.06245	42.3
267.07220	100.0
312.02402	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22106	23.3
59.01381	100.0
62.62019	24.1
64.34878	24.4
70.50260	30.6
72.23993	27.7
79.63452	24.9
89.02444	30.1
97.62804	25.6
98.22557	54.6
101.02451	28.9
202.27655	25.6
228.66917	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61271	1.1
55.01829	1.1
57.89247	1.1
59.01388	100.0
62.18729	1.2
69.14123	8.7
71.01396	15.4
73.02952	4.8
83.01385	2.0
83.05048	1.4
85.02968	5.2
87.00866	1.7
89.02466	7.7
95.31989	1.0
95.65251	1.1
98.21786	2.4
101.02462	10.6
113.02472	7.7
119.03514	3.9
119.94947	1.2
161.04570	4.2
254.72096	1.3
394.92401	1.2
410.67072	1.2
415.23282	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	415.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01477	4.6
57.03453	5.4
59.01387	100.0
69.10368	14.5
69.10790	20.8
71.01389	22.4
73.02962	6.4
83.01370	4.7
85.02943	8.1
89.02454	12.0
90.34214	4.7
90.38170	3.8
99.00933	4.2
101.02454	16.2
113.02454	14.2
167.78070	4.5
285.03882	6.0
301.87811	4.3
354.16956	4.2
415.23489	10.0
416.30103	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	415.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.9
60.21456	0.2
61.98831	0.6
71.01391	3.7
71.12418	0.6
72.99308	0.6
73.02951	0.8
73.04076	0.7
74.02472	0.5
83.01389	0.5
85.02966	1.4
88.04050	2.2
89.02453	1.7
93.03501	0.4
96.00861	0.7
98.02490	0.5
99.00875	0.3
101.02447	1.7
102.05637	0.7
108.02198	0.3
109.02950	0.4
113.02462	0.8
115.08787	0.8
116.07161	0.4
119.03532	0.8
119.05054	0.5
121.03007	0.7
128.03555	3.3
130.08752	0.6
131.04657	0.3
134.03737	0.4
135.04543	2.4
137.02464	0.3
145.02977	2.2
146.03754	60.1
147.04134	3.0
151.01102	0.3
157.13525	0.4
161.04651	1.2
161.06094	18.8
162.06439	1.1
163.04012	1.9
164.04813	42.4
165.05171	2.1
179.07156	100.0
180.07481	5.9
191.03624	0.4
191.05565	0.4
193.05132	0.4
201.12440	0.4
202.91727	0.4
211.06163	0.7
211.14511	0.4
235.06131	0.8
253.07172	0.3
281.11371	0.4
286.17691	0.9
327.05038	0.5
380.18161	1.8
397.20898	0.5
415.12656	1.0
415.21689	2.7
432.92004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36195	0.3
59.01384	3.2
61.98843	0.6
69.49569	0.9
69.49982	0.7
71.01395	3.8
72.99326	0.9
73.02963	1.1
73.04080	0.8
74.02505	0.5
74.91427	0.3
83.01401	0.6
84.04526	0.4
85.02984	1.4
87.00874	0.4
88.04041	1.6
89.02477	1.0
93.03436	0.4
96.00940	0.4
97.02966	0.4
98.02493	0.9
98.22422	0.5
99.00886	0.4
101.02486	1.5
102.05592	0.7
108.02184	0.4
113.02439	1.5
119.03530	0.6
119.05024	0.7
128.03554	3.5
128.89731	0.3
129.10318	0.5
134.03758	1.2
135.04552	3.2
137.21635	0.3
145.02989	2.2
146.03757	61.7
147.04277	3.3
161.04652	0.9
161.06099	17.6
162.06479	0.6
163.04018	1.4
164.04814	41.5
165.05135	2.6
179.07158	100.0
180.07501	6.0
191.05594	0.4
193.05116	0.9
197.13211	0.4
201.12393	0.5
211.06082	0.5
235.06178	1.8
275.89206	0.3
281.11526	0.7
286.17633	0.6
327.05237	0.5
380.18292	2.0
397.20923	0.6
415.12448	1.5
415.21790	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	415.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83083	0.9
55.01874	4.4
57.03454	14.7
58.00586	1.4
59.01386	100.0
64.24078	0.9
67.01883	1.2
69.03463	2.1
71.01391	81.5
71.05016	3.0
72.01718	1.4
72.99315	5.0
73.02958	15.4
75.00877	5.0
81.07124	1.7
83.01398	17.9
83.05032	9.7
84.02187	1.8
85.02962	39.8
87.00890	13.4
87.04528	7.6
89.02459	29.1
95.01393	10.5
97.02941	2.3
97.06585	1.6
99.00891	10.4
99.04543	2.7
99.49826	1.0
101.02450	33.5
102.05600	2.7
109.06596	16.5
111.00906	12.7
111.04527	4.8
111.08141	1.7
112.98815	1.3
113.02464	48.7
114.02798	2.2
115.00378	5.6
117.01925	1.0
119.03510	11.0
119.04268	1.6
123.08175	7.1
125.02480	1.8
127.00393	33.0
127.07629	1.7
128.00732	1.1
128.03506	3.3
129.01958	15.1
131.03490	2.1
131.29706	1.0
141.05611	2.0
143.03531	3.0
145.01450	26.9
146.01753	1.3
147.03011	26.0
147.08226	1.5
149.09763	1.3
155.10811	1.0
158.33925	1.1
159.03087	1.5
161.04585	12.3
161.13348	4.2
163.11311	7.1
165.09222	3.6
173.28185	0.9
178.02890	1.0
179.05640	3.1
179.14455	3.7
179.87369	1.0
181.12312	2.7
181.67323	0.9
183.13948	1.9
189.04047	1.2
193.05098	1.2
197.11996	1.3
205.12360	2.9
207.10275	2.9
209.11897	2.2
223.13434	11.5
224.13664	1.5
225.11345	13.8
225.14941	1.6
226.11644	0.9
227.12910	6.6
241.14403	1.4
267.12424	17.7
269.13870	1.7
271.19199	13.0
272.19452	1.6
285.13467	31.0
286.13791	2.3
287.15030	25.2
288.15350	1.7
299.60025	1.2
335.15204	1.1
353.16058	1.3
371.16995	1.8
397.15106	2.8
415.16162	49.2
415.23389	11.4
416.16479	6.8
416.23550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	4.9
57.03444	5.3
58.00592	3.1
59.01384	100.0
60.01716	1.6
67.01918	1.0
71.01389	96.9
71.27214	1.6
72.01720	2.4
72.99323	3.9
73.02953	14.0
75.00878	2.2
83.01395	23.7
85.02961	27.2
87.00883	11.7
87.04539	1.7
89.02451	44.1
95.01385	7.2
97.06567	1.7
99.00871	5.9
99.04569	1.8
101.02453	39.8
106.74754	1.0
111.00897	1.6
111.04504	0.9
113.02466	38.6
115.00385	15.4
119.03523	19.4
124.58198	1.1
125.02469	2.3
127.00389	72.4
128.00731	1.8
129.01949	1.6
131.03497	1.3
132.23573	1.2
143.03513	3.9
145.01448	60.9
146.01820	1.9
147.02969	1.7
149.04510	1.6
159.03003	2.4
160.64551	0.9
161.04536	12.7
165.04053	2.3
179.05682	3.4
187.02541	2.0
207.13947	1.9
209.11850	3.1
214.72020	1.1
215.93875	1.1
225.14940	2.4
227.12898	19.1
235.13492	1.0
251.12961	1.4
269.13937	8.0
285.13315	1.4
287.15030	55.3
288.15466	4.8
297.17169	1.6
357.28326	1.1
377.04175	1.0
415.15689	15.9
415.24316	6.4
416.16257	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	415.1615
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01892	1.3
56.82566	0.4
57.03454	1.4
58.00606	3.3
59.01388	83.3
60.01727	0.9
65.94140	0.4
69.03469	1.2
70.79809	1.0
71.01393	70.8
72.01741	0.6
72.99310	3.8
73.02959	11.6
74.02477	3.3
83.01397	3.3
85.02965	10.1
86.00108	1.4
87.00887	8.0
89.02459	100.0
89.80808	0.4
90.02802	1.3
95.01411	0.9
96.00925	2.3
97.02984	1.2
98.02480	1.5
98.44377	0.5
99.00887	1.6
101.02457	42.4
102.02794	0.9
111.00881	1.4
113.01742	0.8
113.02477	11.6
113.03353	0.7
113.03608	0.8
115.00391	0.4
119.03522	6.5
125.02468	2.0
127.05132	1.0
130.08731	1.1
131.03526	39.6
132.03822	0.5
138.09256	0.6
139.08772	0.5
143.11861	0.8
149.04575	55.4
150.04887	1.5
159.03000	0.4
161.04623	3.3
166.08743	1.0
167.35558	0.4
169.08560	0.5
179.05653	1.0
187.10822	0.8
191.05635	18.9
192.05896	0.5
225.16025	0.5
251.07750	0.5
283.11996	3.6
336.19113	0.5
371.22540	0.6
380.18341	8.0
381.18417	1.2
397.20432	1.3
415.15668	3.4
415.21667	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	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.9
57.03442	5.5
58.00593	3.8
59.01384	52.9
64.77917	1.8
65.03969	19.5
67.01920	9.7
68.24834	2.7
68.92818	2.0
69.03446	5.4
69.06618	8.4
69.07038	9.0
71.01390	61.8
72.99290	4.0
73.02967	10.2
74.02490	2.7
79.05574	2.5
81.03455	5.2
83.01380	5.2
83.04976	2.3
85.02953	16.7
85.06578	5.7
87.00883	2.7
87.05640	4.4
88.04090	2.1
89.01952	3.2
89.02460	32.1
91.05534	14.6
93.03470	100.0
94.03786	2.4
95.01379	4.2
95.05024	3.2
96.00967	2.2
97.06606	3.3
99.00884	4.7
99.08170	2.4
101.02457	24.1
107.05018	16.0
109.06588	7.4
113.02463	19.1
115.00372	2.6
115.07642	6.3
116.07148	3.1
119.03524	9.5
119.05040	91.2
120.05380	3.5
121.06602	12.9
123.08170	2.6
125.06073	8.9
129.10382	3.0
130.04353	2.3
130.08739	4.4
137.06097	34.5
145.08727	31.4
153.09215	6.9
154.19142	2.1
159.03008	2.0
161.04588	11.8
167.03595	2.2
179.05591	3.0
191.10744	4.2
200.14099	2.0
209.11804	5.4
210.12004	2.0
217.12299	17.7
218.12682	2.7
235.13409	45.4
236.13731	3.3
253.14459	51.2
254.14854	3.8
281.19882	4.5
294.37973	2.0
300.96320	2.0
345.81549	2.1
371.18857	2.7
371.23053	4.7
380.18353	3.8
397.20853	5.7
415.22174	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	415.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.6
59.01384	66.4
65.03973	2.7
68.99776	4.9
69.00185	24.4
69.03455	2.7
71.01388	100.0
72.99323	5.1
73.02959	20.7
73.04076	5.8
83.01382	9.7
83.05035	5.9
84.16799	2.2
84.18857	2.3
85.02954	37.9
85.95476	2.4
87.00891	2.7
87.04528	13.9
88.04041	6.1
89.02457	50.3
93.03477	2.6
95.01402	5.6
96.00951	5.4
98.02501	5.9
98.22556	4.5
99.00896	7.5
101.02456	42.0
108.84215	2.4
109.01706	9.2
113.02464	34.3
115.00413	5.6
119.03502	11.6
121.06626	4.2
130.08757	9.5
131.03540	6.3
131.04962	3.3
132.05840	20.4
143.03496	3.0
147.08206	30.1
149.04588	13.1
154.99878	2.7
161.04578	23.9
164.04787	7.2
165.09248	17.1
166.08784	6.9
169.09868	4.0
179.05652	6.0
179.07205	7.5
186.12466	11.7
191.05696	3.5
210.07756	7.5
224.17630	3.3
235.13416	6.8
253.10851	3.6
281.19928	5.3
299.20914	5.4
300.19165	4.2
323.16217	13.0
397.21024	7.7
415.22040	12.1
418.98566	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	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04596	2.7
69.05016	4.5
74.99110	8.2
77.00678	67.3
78.01003	1.0
99.16908	0.7
108.37665	0.9
116.18021	0.8
122.88258	0.8
130.09329	0.8
136.38376	0.7
147.08180	2.1
149.09740	2.0
163.11353	1.8
183.94879	0.7
187.11295	2.2
279.13986	0.8
280.14764	1.5
307.17163	1.1
309.22189	1.2
337.21771	100.0
338.22113	14.1
389.31882	0.9
415.23367	7.9
415.32318	2.9
416.23331	1.8
416.32797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.1
57.03451	6.4
58.00600	3.3
59.01384	100.0
60.01731	1.1
69.03455	1.6
69.22036	5.1
69.22445	1.2
71.01389	65.3
71.05037	1.6
72.01701	1.0
72.99308	5.3
73.02955	12.0
75.00876	2.9
78.46493	0.7
81.03471	3.0
83.01398	7.0
83.05025	2.0
84.47662	1.0
84.78811	0.7
85.02962	18.8
87.00890	4.1
89.02456	52.6
90.02777	1.2
92.51907	0.9
93.03476	2.7
95.01382	4.4
97.02991	0.8
99.00865	3.8
99.04510	1.4
101.02452	46.6
102.02795	1.2
109.06583	4.9
110.76468	0.7
111.00866	5.3
111.04556	1.1
113.02469	25.4
114.02762	0.8
119.03513	26.1
123.08183	1.9
127.00393	1.6
129.01962	7.8
131.03511	2.7
135.02986	1.4
137.02457	5.5
143.03499	4.3
147.03030	12.9
149.04588	1.2
149.09666	4.6
159.03021	1.7
161.04568	9.6
161.13394	1.0
163.11296	1.6
165.09225	1.2
167.10803	5.9
179.05638	3.2
179.14520	0.8
193.08748	2.3
207.10292	1.8
211.09804	8.6
223.13432	3.0
223.19466	0.8
225.11298	2.3
267.12399	8.0
285.13467	8.2
297.17065	1.1
298.20209	0.8
365.55792	0.9
373.18497	1.2
415.15442	12.5
415.24109	12.1
416.16315	1.6
416.23874	1.4
431.49588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00278	2.1
61.98841	44.8
64.29842	2.4
69.77524	11.2
78.05811	2.5
78.15928	2.1
85.04083	8.0
87.05637	3.9
101.07228	9.0
112.02835	6.8
113.03604	9.7
123.05621	3.9
126.09145	2.4
127.05196	3.4
128.56187	1.9
141.06723	31.3
141.10330	4.8
143.11911	15.3
146.06194	5.4
156.07790	8.0
158.06161	2.8
160.07661	3.9
167.04666	2.6
169.09834	6.1
172.10934	4.4
186.05676	3.9
197.12923	4.2
201.10384	3.8
203.08328	2.4
210.16254	2.2
217.09874	9.8
228.17198	34.2
242.12016	2.5
245.09389	3.3
248.14095	4.7
265.16843	6.8
271.10782	12.3
273.16138	13.8
274.16656	2.6
288.52521	2.3
359.85913	2.2
371.24600	11.1
372.24725	2.7
377.71585	2.2
415.23611	100.0
416.23904	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3222
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
54.29762	0.5
57.03447	0.7
69.29791	4.3
90.63776	0.7
91.80325	0.5
98.22567	1.2
152.99536	0.8
194.07953	0.6
279.23257	4.1
304.32950	0.6
339.27103	2.8
355.30048	1.1
415.32257	100.0
416.32541	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28352	1.7
59.01391	5.1
61.98843	13.6
69.80062	6.0
69.80478	4.4
71.01376	5.2
72.44447	1.7
75.41120	1.7
76.26162	1.8
85.02949	6.6
93.03485	5.3
129.76385	1.9
135.04538	4.3
137.06079	3.4
156.38580	2.0
161.02562	2.5
161.04652	2.1
175.74907	2.1
181.05046	10.7
189.30399	1.7
191.05637	100.0
192.05991	4.6
255.08759	12.0
264.22354	2.1
353.08832	6.8
356.46796	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	416.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18801	5.9
59.01382	27.5
61.98837	100.0
70.53990	5.2
71.01385	14.5
74.02486	11.2
75.00884	7.4
85.02955	15.0
89.02447	11.7
93.03477	16.9
101.02498	7.9
113.02439	10.7
113.66931	5.2
115.08781	7.8
123.04524	11.2
129.10374	6.8
135.04549	56.1
136.04883	13.3
136.59702	6.3
137.02438	7.2
167.03514	23.9
173.04555	71.6
179.03506	61.7
180.03853	15.3
187.41820	5.3
191.05626	55.5
192.05919	5.7
249.06227	13.7
253.07176	8.8
254.07524	14.5
277.41559	5.6
353.08701	37.3
354.08636	6.1
416.22418	19.1
417.10547	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
58.02975	2.9
59.01384	41.2
60.01725	1.0
69.81416	3.9
71.01400	7.0
73.02951	1.5
74.02473	1.3
79.57932	0.9
82.03008	0.9
83.01380	0.9
84.04578	4.2
85.02960	4.5
86.03292	0.9
87.00900	1.1
89.02438	2.6
91.84776	0.9
92.22294	0.9
94.37384	0.8
98.06119	1.0
98.22421	1.0
100.07688	6.1
101.02446	3.3
101.03082	1.0
101.80424	0.8
102.05622	60.1
103.05981	2.0
111.00903	1.1
113.02459	5.1
114.02825	1.1
117.62411	0.9
119.03503	1.4
120.10512	0.9
126.05630	3.9
128.03560	100.0
129.01964	1.3
129.03931	2.3
144.06677	8.8
146.04619	23.4
147.03023	1.9
165.12817	1.1
166.02699	1.1
170.04581	8.1
188.05687	7.3
207.13989	1.1
209.11850	3.5
211.48839	0.9
225.14970	5.1
227.12889	14.7
238.82903	0.8
269.13934	5.5
287.15057	25.2
288.15479	2.6
312.18213	1.1
356.17130	2.3
371.40710	0.8
380.16705	1.0
398.18234	8.0
416.19321	77.0
417.19739	8.3
430.59149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	38.6
69.45990	2.3
69.46408	2.6
70.43107	0.8
71.01380	1.0
92.14781	0.8
93.03456	2.2
98.22546	1.1
99.00893	1.3
108.02215	1.0
122.03732	1.2
123.04513	1.0
128.03563	1.1
132.68799	0.9
137.02454	4.2
150.03242	54.7
151.03642	2.5
162.03244	1.1
165.05589	48.4
166.05902	2.4
177.05612	1.4
180.04314	13.3
181.05067	1.2
195.06650	100.0
196.06927	4.1
224.03276	2.0
239.05656	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	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	86.8
61.98851	4.7
71.01388	62.5
72.99320	6.7
73.02952	9.0
75.00867	4.4
83.27593	3.6
84.37634	3.1
85.02965	13.5
87.00903	10.3
88.04066	3.8
89.02455	100.0
98.06586	3.6
101.02455	45.5
105.16698	4.6
113.02475	17.0
115.34525	3.4
119.03532	13.1
131.03543	32.5
137.02402	5.3
149.04576	68.9
150.37631	3.6
161.04608	4.8
166.02725	7.4
167.03604	3.9
179.07144	6.7
181.05075	19.6
187.21678	3.8
187.35745	4.0
191.05617	13.7
194.06046	4.7
211.34068	3.9
217.52527	3.9
221.23756	3.6
228.65894	3.9
237.11426	5.1
255.08655	4.0
280.26663	4.1
302.71121	4.2
417.17917	6.0
424.58163	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	417.1558
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.09756	0.1
57.03452	0.4
59.01385	2.5
61.28987	0.1
65.00340	0.3
67.01889	0.6
68.99811	0.2
69.03457	0.2
70.78539	0.4
71.01392	0.5
72.99323	0.2
75.00873	0.2
79.01915	0.2
81.03463	0.6
83.01390	0.2
84.02179	0.3
85.02966	0.7
89.02466	0.2
90.80906	0.1
93.03467	0.5
95.01384	1.3
95.05039	0.4
101.47589	0.2
105.03474	0.2
107.05032	0.4
108.02188	0.2
109.02967	4.7
109.03716	0.3
111.00880	0.8
113.02473	0.2
121.02985	1.1
121.06625	0.4
122.03799	0.1
123.00896	4.5
123.04508	0.7
124.01693	1.1
125.02473	1.4
127.00352	0.2
129.01945	0.5
133.02951	0.5
135.04506	0.2
136.01657	0.3
137.02461	16.7
138.02939	0.6
139.00369	0.7
139.04019	0.6
143.86208	0.2
145.02954	0.3
147.02995	1.1
147.04492	0.3
149.02477	1.9
149.06099	0.5
150.03323	0.7
151.00385	27.6
151.03983	1.7
152.01189	3.0
152.04813	3.3
153.01924	0.4
153.05450	0.3
154.02718	0.5
159.04517	0.7
160.05266	0.2
161.02449	0.6
162.03186	0.2
162.56779	0.1
163.04001	0.9
164.04819	0.5
165.01950	1.2
166.02731	68.4
167.03369	4.9
168.04120	0.3
173.02469	0.3
174.03236	0.3
175.04047	1.6
175.07677	0.4
176.01178	0.2
177.01958	4.2
177.05577	0.5
177.34306	0.2
178.02658	0.7
179.03568	0.7
179.07085	0.5
181.05084	100.0
182.05414	4.9
184.03787	1.3
188.04771	0.3
188.19521	0.2
189.05598	0.5
190.02704	0.5
190.06377	1.2
191.03520	1.2
191.06998	0.2
192.04289	1.4
193.05057	1.4
194.05594	0.2
195.03036	0.8
199.07372	0.1
202.02684	0.3
203.03453	0.6
204.04143	0.3
205.05106	1.5
205.08727	2.1
206.05782	0.4
206.09102	0.2
207.06613	1.5
207.13956	0.2
209.04562	0.4
217.05147	0.2
218.05719	0.3
219.06651	0.7
220.07306	0.2
221.04469	0.2
224.03262	0.4
225.15018	0.5
227.12875	1.2
233.08189	0.3
235.06142	0.4
236.06830	0.2
251.12808	0.2
253.05014	0.3
255.06601	0.2
258.08984	0.1
269.04608	0.2
269.14032	0.5
281.04587	0.3
285.07669	0.2
286.08292	0.2
287.15015	0.8
299.05707	0.2
301.07239	0.6
314.08090	0.3
316.09445	0.2
327.08768	0.2
329.06686	0.1
329.10294	0.8
341.10226	0.2
342.07291	0.2
344.09033	0.3
356.12680	0.4
357.10022	0.7
359.11368	2.8
360.11673	0.2
369.09882	0.3
371.14948	0.6
372.08249	0.2
387.10883	17.5
388.11264	1.8
399.16382	0.3
402.13226	13.6
403.13657	1.6
408.73465	0.2
417.15567	25.3
418.15869	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	417.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67490	0.4
59.01392	4.1
62.07153	0.4
66.67895	0.4
71.01391	2.8
71.26256	0.6
73.02965	0.4
85.02954	1.2
89.02442	1.5
93.03441	0.7
95.01403	0.9
95.05036	0.5
101.02448	1.2
107.05045	0.5
108.02236	0.4
109.02958	4.4
111.00940	0.6
116.79780	0.4
121.02972	0.7
123.00906	4.4
123.04523	1.0
124.01683	0.6
125.02490	1.0
133.03006	0.6
136.41827	0.5
137.02460	15.4
139.04012	1.2
142.85538	0.4
147.04517	0.6
149.02438	1.9
149.06071	1.2
150.03195	0.7
151.00388	26.2
151.03935	2.1
152.01215	2.9
152.04819	2.6
153.05272	0.5
159.04587	0.8
163.03954	0.5
164.04822	0.5
165.01924	1.0
166.02733	64.5
167.03415	5.7
173.02603	0.4
175.04042	1.5
177.01926	3.9
177.05566	0.6
178.02695	0.8
181.05086	100.0
182.05423	4.2
184.03770	0.9
186.98901	0.5
190.06348	1.3
191.03526	1.3
192.04260	1.2
193.05048	1.1
195.02913	0.6
203.03482	0.6
203.07526	0.4
205.05084	1.7
205.08769	1.7
207.06622	1.8
237.15022	0.8
260.33621	0.5
284.03308	0.9
285.04099	0.9
299.05432	0.5
301.07196	0.8
341.10507	0.5
357.10110	0.6
359.11237	2.8
371.14923	0.5
387.10880	16.5
388.11206	1.7
402.08087	0.6
402.13187	12.0
403.13577	1.9
407.08395	0.5
417.09900	0.9
417.15652	26.6
417.21317	2.9
418.11383	0.5
418.16022	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	417.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.67552	51.0
71.01398	76.1
71.26137	95.6
71.26508	56.6
72.82732	43.5
83.77496	46.0
89.02458	60.8
97.32063	54.1
106.91901	52.1
228.97485	52.6
323.33990	59.4
417.20963	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.5
58.00595	1.1
59.01386	100.0
59.48189	0.9
60.30068	0.9
71.01392	27.7
72.99298	1.4
73.02966	4.6
83.01403	2.3
83.05009	0.7
85.02972	7.4
87.00893	2.8
89.02456	21.6
90.02784	0.9
95.01385	1.6
98.21812	2.0
99.00892	1.7
101.02457	17.3
113.02469	12.4
119.03517	10.9
125.02448	0.9
127.51534	0.9
131.03571	1.2
132.66023	0.9
143.03516	2.9
159.03015	1.6
161.04581	17.2
169.30374	0.8
177.09250	5.2
179.05566	4.3
195.10364	1.3
225.26759	0.8
229.14127	0.9
308.41275	0.9
357.15656	14.8
358.15594	1.9
370.25992	0.9
417.17621	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	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03458	1.4
58.00576	1.8
59.01384	100.0
65.79877	0.9
69.33431	2.4
69.33841	3.9
69.40977	0.9
71.01390	34.6
72.99317	1.7
73.02953	6.7
83.01392	3.0
85.02955	9.3
87.00888	2.9
89.02451	26.8
95.01395	2.8
99.00900	2.8
101.02455	18.0
113.02458	15.8
119.03531	9.9
131.03471	1.4
143.03514	3.1
156.03325	1.1
159.02989	1.8
161.04591	20.6
177.09267	4.3
179.05615	6.1
357.15582	20.3
358.15884	2.2
364.06244	1.0
387.42941	1.1
417.17548	4.0
426.52670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03440	1.8
59.01386	100.0
61.98835	8.1
69.32641	3.0
69.33066	4.4
71.01390	30.0
72.99303	1.1
73.02947	8.8
82.04507	1.0
83.01394	3.3
85.02962	11.9
89.02444	5.6
95.01392	2.3
98.21888	2.0
99.00915	4.3
101.02468	18.9
109.06570	1.1
111.00923	1.5
113.02454	11.9
113.03182	1.2
119.03487	1.5
143.03526	1.2
147.02957	1.3
159.03004	4.3
161.04567	33.1
162.04851	0.9
165.09224	3.8
179.05434	1.6
185.56216	1.3
194.65096	1.1
210.23314	1.1
227.12849	3.2
247.36795	1.0
269.14020	1.6
287.15024	3.1
357.15567	13.9
417.17596	3.7
439.48853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02352	0.5
55.01880	0.5
57.03456	8.1
59.01384	100.0
60.01724	1.0
60.99327	0.6
67.01906	1.6
71.01384	6.3
72.99314	1.2
73.02950	4.0
75.00883	4.5
82.53443	0.5
83.01395	3.9
83.05031	0.5
85.02957	6.7
87.00893	1.4
89.02456	4.0
93.23518	0.5
97.06595	0.5
99.00894	3.7
99.04536	1.5
101.02458	3.5
109.06635	0.6
111.00889	10.8
112.01234	0.6
113.02456	2.6
117.01926	0.8
119.03542	1.5
129.01958	19.8
141.01958	1.6
147.03014	41.8
148.03378	1.1
165.12871	1.9
189.04086	1.1
189.12901	0.6
190.75076	0.5
191.10783	0.6
207.13919	9.2
209.11823	6.1
225.14984	25.7
226.15298	2.0
227.12910	54.3
228.13239	3.0
251.12872	3.1
269.11057	1.1
269.13965	22.3
270.14212	2.4
287.15024	35.8
288.15298	3.2
316.34927	0.5
340.58548	0.6
399.16605	8.8
400.17029	0.7
417.17648	27.5
418.17960	3.4
427.61627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.3
57.13155	1.1
58.00592	1.1
59.01384	100.0
60.01722	1.6
67.01893	1.4
69.00351	6.4
69.00770	6.6
71.01398	8.4
73.02934	3.0
75.00861	4.7
83.01377	3.8
85.02948	8.1
89.02454	4.9
99.00896	3.3
99.04520	2.0
101.02440	5.7
102.73109	1.1
111.00893	14.8
113.02445	2.7
119.03512	1.5
122.33044	1.4
126.26811	1.3
129.01968	19.2
141.01808	1.2
144.06630	1.1
147.03012	59.2
148.03363	2.5
160.67175	1.5
207.13974	8.2
209.11833	5.5
216.95987	1.3
225.14981	29.8
226.15462	1.7
227.12917	54.6
228.13272	3.4
251.12778	1.9
269.13962	23.4
270.14200	1.3
287.15021	30.6
288.15479	2.0
289.69501	1.3
399.16544	9.4
400.16959	1.8
417.17569	34.9
418.17813	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	417.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.6
56.44902	0.6
56.96974	0.5
57.03457	8.2
58.00592	0.6
59.01385	100.0
60.01712	1.2
64.01366	0.6
67.01892	1.3
69.15654	3.6
69.16074	1.8
71.01385	8.0
72.99330	1.5
73.02961	4.5
75.00895	3.0
83.01402	4.9
83.80704	0.7
85.02956	7.5
87.00866	1.2
89.02482	3.5
93.03367	0.6
97.06605	0.7
99.00898	3.5
99.04549	1.8
101.02462	5.8
109.06595	1.0
111.00903	7.7
113.02432	4.0
117.01958	0.9
119.03513	0.9
129.01970	19.6
141.01958	1.8
142.02547	0.6
144.19891	0.7
147.03017	39.6
148.03310	0.9
161.04616	0.7
165.12845	1.6
181.05124	1.4
182.52730	0.6
189.04053	1.2
189.12845	0.6
207.13930	7.1
209.11795	5.2
217.74339	0.7
225.14996	22.7
226.15373	1.6
227.12918	45.7
228.13219	3.9
251.12901	2.8
269.13962	20.2
270.14377	1.7
287.15039	30.7
288.15247	1.9
373.18640	1.3
399.16595	9.7
400.17029	1.3
417.17554	25.9
418.17566	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60990	0.7
55.01881	2.1
57.03458	2.9
58.00603	3.4
59.01385	100.0
60.01702	1.1
65.27390	0.6
69.03454	1.7
69.07693	0.8
69.13037	5.2
69.13439	1.3
71.01390	62.8
72.01730	0.9
72.99326	3.0
73.02950	10.8
75.00888	1.3
83.01393	5.3
85.02966	14.9
85.42297	0.7
87.00892	8.6
89.02458	69.9
90.24772	0.8
93.03504	1.3
95.01438	2.8
96.70988	0.6
97.02981	1.4
97.06634	1.1
99.00899	2.8
99.04584	1.1
101.02454	38.3
103.04897	0.7
111.00874	4.9
113.02469	16.5
113.03271	0.8
115.04063	0.9
119.03519	11.2
123.08233	1.6
125.02462	2.7
129.02000	4.2
131.03519	24.9
132.03853	1.0
137.02512	1.2
143.03526	3.2
147.03017	8.4
149.01999	0.9
149.04576	29.1
161.04614	3.2
179.05618	2.5
183.10246	1.1
184.76352	0.7
185.31393	0.7
191.05635	15.3
207.14014	1.6
209.11761	1.1
225.15012	4.4
227.12935	11.0
233.06709	1.6
243.12439	1.8
269.14050	3.1
285.13608	1.7
287.15067	8.0
357.19141	0.9
399.17081	2.0
417.06467	0.9
417.12161	1.7
417.17404	10.9
418.18332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
56.42238	0.8
57.03437	3.3
58.00604	1.3
59.01387	100.0
60.01707	1.0
62.39486	1.0
71.01392	28.6
71.27682	1.5
72.99273	1.0
73.02955	5.7
73.23857	0.8
73.86619	0.8
75.00877	1.7
83.01389	4.2
85.02952	8.3
87.00900	6.1
87.01378	1.2
88.49417	1.0
89.02456	31.1
95.01405	1.9
97.02917	1.0
97.06643	1.2
99.00897	1.9
99.04524	1.4
101.02458	21.3
111.00880	3.3
113.02470	11.9
118.53715	0.9
119.03501	5.2
119.59251	0.9
125.02464	1.2
129.01942	3.9
131.03502	10.1
143.03564	1.2
147.02998	8.7
149.04587	11.2
161.04524	1.8
167.03497	2.8
179.05644	1.5
183.10289	2.3
191.05655	5.8
207.13910	1.9
225.15028	4.7
227.12888	11.3
243.12312	1.8
251.12819	1.5
269.13928	4.0
284.03207	1.5
285.03973	1.1
285.13501	1.2
287.14972	6.8
299.11053	1.0
357.19153	3.9
375.20493	4.8
399.16516	2.5
417.07172	1.3
417.17123	9.0
417.22342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76350	0.5
59.01385	100.0
59.34912	0.5
60.01728	1.0
69.30801	0.9
69.31206	2.4
71.01402	1.1
82.25194	0.5
85.02987	0.5
95.29459	0.5
98.21745	0.6
181.05249	0.6
191.69197	0.5
282.31509	0.5
328.93280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35170	1.0
59.01385	100.0
60.01726	1.5
71.01395	8.3
73.02970	1.8
82.72757	0.9
83.01368	2.2
85.02966	3.4
89.02457	3.0
99.00913	1.2
101.02449	4.4
113.02480	3.8
119.03531	1.2
122.07515	1.1
127.03164	0.9
141.98030	0.9
143.44717	1.2
147.02861	1.1
161.04587	1.9
171.51065	1.0
193.14996	1.1
417.30151	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	417.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.2
57.03455	5.1
58.00596	2.3
59.01386	50.2
60.01711	0.5
64.31948	0.4
69.03467	0.8
71.01391	100.0
71.28749	0.6
72.01721	1.7
72.99314	3.1
73.02955	25.8
75.00883	1.6
76.57887	0.4
81.03469	0.5
83.01402	12.7
83.79121	0.4
84.02176	1.0
85.02961	40.3
86.03311	1.5
86.21545	0.4
87.00879	3.6
87.04530	2.4
89.02456	28.3
90.02787	0.6
95.01405	8.0
95.83656	0.4
97.02950	2.4
99.00893	13.1
101.02454	59.6
102.02792	0.8
111.00910	1.3
113.02467	41.5
114.02811	1.2
119.03522	12.7
125.02487	2.2
129.01971	2.1
131.03548	1.0
143.03535	4.8
149.04549	1.2
159.03024	8.1
160.59348	0.4
161.04573	44.8
162.04922	1.5
178.46326	0.4
179.05594	1.9
205.03587	1.0
236.78827	0.4
255.19640	1.9
285.04077	1.6
297.20877	0.9
358.52698	0.4
417.25024	21.4
418.25458	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.25
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.18255	0.4
55.01880	4.7
57.03459	4.5
58.00609	2.4
59.01385	59.9
60.01746	0.5
61.27315	0.4
68.99799	0.5
69.03470	0.8
69.12041	1.7
69.12459	2.6
71.01389	100.0
72.01711	1.2
72.99326	4.7
73.02953	24.6
74.03301	0.8
75.00886	1.4
81.03444	0.6
83.01398	10.4
85.02958	38.4
86.03301	0.7
87.00890	3.9
87.04535	1.4
89.02454	35.4
89.86320	0.4
95.01392	7.8
97.02971	2.6
99.00897	10.1
101.02453	66.6
102.02789	1.9
113.02462	40.4
114.02792	1.2
119.03513	15.3
125.02452	1.7
129.01949	1.1
129.91985	0.5
131.03523	1.6
139.00430	0.5
143.03505	5.0
149.04573	1.1
151.36699	0.4
152.61081	0.4
159.03001	7.0
161.04576	42.6
162.04929	1.2
179.05620	4.7
205.03574	1.3
237.24826	0.5
255.19598	3.3
285.04083	0.7
417.25015	31.7
418.25589	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.8
57.03455	5.2
58.00597	2.3
59.01387	51.3
60.48177	0.5
67.89053	0.4
69.01028	0.5
69.03487	1.0
69.17374	4.4
71.01389	100.0
72.01735	1.4
72.99311	2.9
73.02954	27.0
75.00865	1.2
83.01395	10.4
84.02158	0.7
85.02959	43.9
85.25336	0.4
85.71887	0.5
87.00873	3.8
87.04520	3.1
89.02454	29.7
90.02809	0.8
95.01393	7.9
97.02962	2.6
98.22491	0.8
99.00898	11.7
101.02454	56.5
101.79005	0.5
102.02824	1.4
107.23522	0.5
111.00883	1.3
113.02461	43.3
114.02780	1.1
117.28040	0.6
119.03511	13.1
125.02461	1.6
129.01961	1.8
131.03539	1.6
143.03519	5.1
147.03006	0.8
149.04578	1.1
152.19212	0.6
153.55952	0.5
159.03015	8.8
161.04573	44.8
162.04907	1.5
179.05670	2.0
205.03549	0.7
227.12935	1.3
255.19769	1.6
287.15054	1.4
297.20731	0.9
347.11157	0.6
417.12622	0.8
417.17081	0.9
417.25018	23.0
418.25293	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	418.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85553	59.5
53.31556	47.7
59.01377	79.4
59.55720	48.4
59.56058	49.4
61.98847	92.5
66.62841	44.0
71.01424	50.6
90.54731	47.4
94.99442	55.9
98.21703	100.0
118.44714	50.0
148.93648	48.4
177.86348	52.6
221.24495	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.6
65.66338	2.0
69.49998	8.0
69.50407	3.8
71.01394	4.7
84.45807	1.9
89.02468	3.1
96.00900	17.7
98.22557	2.2
99.05658	19.9
101.02475	2.9
109.01708	100.0
130.08763	5.0
140.10789	6.4
141.06683	18.3
147.06001	7.7
166.02692	4.5
166.08719	21.9
181.05133	4.3
182.05371	2.9
189.07056	70.4
210.07744	89.1
211.07997	3.9
255.03087	3.2
287.07196	3.8
345.22803	4.5
400.15540	17.7
419.14636	2.9
419.22162	3.3
419.26611	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	418.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52625	4.4
59.01383	100.0
69.39601	21.0
69.40010	12.3
71.01386	12.3
73.02948	5.2
83.01409	6.0
85.02937	5.8
89.02448	13.0
91.85648	4.6
98.21786	5.3
101.02417	8.4
104.83018	4.7
111.16468	4.7
113.02458	9.3
121.40007	5.0
151.00313	7.0
155.02740	39.2
214.88074	5.1
235.26492	4.8
305.64722	5.4
342.33478	5.7
381.92801	6.5
419.22604	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60590	1.6
59.01386	100.0
59.40132	1.8
61.98820	3.9
68.13994	1.9
71.01396	9.8
71.26412	3.5
73.81259	1.7
85.02964	2.6
89.02446	5.8
92.35222	2.0
97.02906	1.7
101.02444	6.9
109.02939	3.6
113.02460	4.1
118.98147	3.0
119.03527	3.2
122.03698	4.1
122.09182	1.8
125.03544	3.8
145.04097	2.3
145.75040	1.8
153.01921	7.8
154.64386	1.8
164.96521	1.7
179.05598	2.6
182.05859	14.5
197.08208	49.2
198.08507	2.5
201.90015	1.8
257.06680	8.1
282.08896	3.3
300.10132	3.8
420.14328	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	419.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98839	2.9
71.25249	5.2
76.10905	2.8
87.00878	2.7
88.02181	2.8
113.02428	3.4
134.03770	26.6
148.01694	5.3
149.06111	57.0
154.98097	6.1
155.98891	6.0
163.04059	4.8
171.01291	3.2
179.07126	4.8
181.05154	6.9
185.02834	3.8
197.08232	26.0
211.06160	19.0
303.34979	2.8
327.69604	2.8
333.06549	3.5
408.26596	3.2
429.21167	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	419.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76950	1.2
59.01381	3.0
68.98663	9.5
68.99071	2.3
71.01366	2.1
75.07003	1.3
88.49540	1.1
101.02454	1.5
104.42772	1.2
109.02956	1.3
113.02544	1.3
137.02489	8.7
139.00397	2.2
145.02965	3.9
147.04530	5.2
151.04041	6.7
152.01237	1.5
152.04884	1.9
153.02016	1.6
153.05624	1.6
161.02512	1.5
162.03307	1.6
163.04027	6.3
166.02667	1.2
166.06346	1.7
173.02428	3.2
174.03209	6.6
175.04028	31.4
176.04797	10.4
177.05518	1.7
178.02762	1.5
180.04282	13.0
188.04779	6.4
189.05606	10.9
190.06355	33.8
191.03523	1.5
191.07156	20.3
192.04243	1.9
193.05080	12.3
194.05865	10.7
203.07213	2.4
205.08708	22.0
206.09096	1.7
207.06607	10.2
208.07426	14.2
222.08885	2.2
260.31882	1.3
374.13641	4.6
389.16101	100.0
390.16476	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	419.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64828	0.9
54.87970	0.8
59.01386	100.0
59.92053	0.7
60.01727	1.1
69.25386	0.8
69.35268	3.1
69.35700	3.0
71.01375	2.4
73.02579	1.1
73.02953	10.8
75.00874	2.8
101.02452	1.3
105.26437	0.8
117.01963	2.3
135.03023	9.6
151.04001	3.1
166.27083	0.8
203.91545	0.9
207.13918	6.7
209.11826	1.3
225.14984	8.5
227.12923	22.6
228.13315	1.5
237.74875	1.0
247.01111	0.9
251.12878	3.8
257.08261	1.7
269.13950	3.0
283.15543	24.6
284.15839	3.0
301.16589	85.7
302.16882	6.6
368.28360	0.9
395.08972	0.9
419.19058	11.7
419.23648	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	420.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79291	0.4
59.01393	5.1
60.01723	0.5
65.68195	0.4
66.04070	0.4
71.01377	1.4
71.24822	0.5
71.25198	0.5
78.91888	0.9
89.02463	0.6
95.01385	0.7
96.96974	0.6
97.10625	0.4
117.84592	0.5
123.00906	6.0
126.98611	2.7
134.04747	0.8
137.02417	0.5
147.28966	0.5
154.98120	27.1
155.98904	100.0
156.99236	3.5
161.04648	0.6
171.01253	50.3
172.01495	1.4
182.05902	0.6
194.41937	0.5
197.08249	1.9
198.08531	2.4
205.03491	0.6
227.01831	0.7
258.04395	1.1
318.04172	8.9
319.04718	0.7
333.06555	40.9
334.06830	3.4
361.04733	1.1
420.10056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
69.42865	8.2
71.01387	21.2
85.02965	18.4
89.02430	15.5
89.03981	15.8
101.02411	11.8
107.05149	7.2
142.18434	8.4
157.32687	8.7
317.21643	8.4
361.93848	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	420.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01390	15.9
71.27002	9.8
73.02942	7.3
80.29014	5.8
85.02969	11.8
87.79066	5.7
96.96016	6.2
101.02439	18.7
113.02444	7.9
118.86582	7.6
139.09552	6.5
151.40109	6.6
157.02393	15.0
161.04582	7.1
335.20712	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	420.2759
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01382	2.5
61.61953	0.8
71.49678	0.7
79.58427	0.7
82.65844	0.7
84.28246	0.6
86.62605	0.7
98.21797	1.7
102.65343	0.7
105.26922	0.8
121.02974	100.0
122.03301	3.3
125.87343	0.8
127.87039	10.4
159.86028	18.3
160.17155	0.7
162.92615	0.7
164.83244	0.7
164.92224	0.9
199.89206	2.5
212.71460	0.9
221.15466	1.0
228.70944	0.9
254.25677	0.8
272.34137	0.7
420.03986	1.4
420.27643	54.7
421.27945	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	421.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88211	0.3
55.96783	0.3
56.52611	0.3
59.01384	1.2
69.27451	0.7
69.27856	1.6
71.01385	0.7
79.88175	0.3
85.02957	9.7
87.00871	1.6
93.03472	2.8
94.34795	0.3
96.27298	0.3
109.02924	0.6
111.04507	0.9
119.58356	0.3
127.04062	2.3
141.82172	0.3
171.03056	0.9
172.63266	0.3
173.04538	0.9
191.05629	100.0
192.06000	4.8
260.18564	0.4
408.00552	0.3
421.07556	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	421.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01825	1.9
57.03403	2.1
59.01390	32.9
69.45308	11.0
71.01379	8.6
72.99312	5.8
73.02956	3.1
85.02940	3.4
87.00877	2.0
89.02451	4.5
93.03474	3.3
97.00016	1.9
99.00887	10.5
99.04528	3.1
101.02471	4.1
101.06091	3.3
113.02438	2.6
113.47881	2.1
117.01982	2.4
119.05006	2.2
120.22613	2.1
121.02997	2.9
121.64724	2.1
123.08168	2.4
125.02405	3.9
125.06081	8.2
127.05144	2.5
135.03006	6.1
137.02425	2.4
143.03439	2.7
149.02472	25.3
150.03227	3.7
152.01176	5.0
163.04045	7.2
164.04826	27.2
165.05518	4.3
179.07097	9.9
180.06670	4.6
181.01263	3.6
185.08202	5.7
193.01424	12.3
205.03600	6.3
208.03777	29.3
223.06140	100.0
224.06351	6.1
227.01752	24.9
241.10841	3.9
243.12390	6.0
245.02769	7.4
259.11798	2.8
303.14578	31.4
361.14218	2.3
404.18317	3.1
421.12366	3.2
421.17563	14.4
422.19009	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	421.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69226	0.9
55.01883	1.5
57.03448	1.7
59.01387	17.5
60.33356	0.8
60.90363	0.9
62.04121	0.7
63.65552	0.9
68.99814	3.5
69.03445	0.9
71.01386	6.1
71.27251	0.8
71.27631	1.4
72.99335	1.0
73.02934	2.0
83.01390	3.0
85.02962	11.3
87.00887	3.6
89.02454	4.1
95.01395	2.5
97.02925	1.2
99.00896	6.2
101.02459	2.8
101.06094	100.0
102.06430	2.5
111.00903	3.0
113.02469	6.5
113.99599	11.0
115.00414	5.5
125.06120	1.0
125.07066	0.8
125.62208	0.9
127.00388	2.9
127.65005	0.8
129.01962	1.3
129.16226	0.8
137.99593	0.9
139.00359	5.3
156.00633	1.8
157.01442	8.7
168.06653	0.9
169.01471	0.9
175.02451	2.1
192.01880	1.0
202.28615	1.0
258.07498	2.8
259.04559	1.8
277.05664	15.2
278.06003	1.3
301.05576	4.5
303.14554	1.4
319.06778	4.7
421.13525	96.7
422.13947	10.7
422.19211	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.41837	9.2
59.84786	9.7
61.63179	12.7
69.34442	75.2
69.34836	20.0
71.01376	36.8
75.71657	10.3
78.61558	10.2
79.98545	9.6
83.05066	22.4
89.02451	22.2
94.24804	9.6
98.21743	20.0
99.04556	11.2
101.02463	38.3
135.03029	19.6
150.78542	11.6
159.06590	13.4
165.71935	10.8
189.73186	11.2
191.97841	10.8
208.11824	10.1
228.29187	10.9
228.62585	9.6
229.10165	11.0
243.12053	13.1
303.14594	68.8
377.18277	25.3
421.16730	45.8
421.21027	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21879	9.6
59.01390	100.0
59.79187	8.3
61.98824	9.9
64.68571	8.6
71.01375	40.3
71.27341	14.6
73.02949	20.0
75.00889	17.6
78.86131	10.3
83.29758	8.1
85.02982	16.8
89.02478	10.8
101.02445	11.4
113.02474	27.1
119.03555	11.1
122.15990	9.2
133.83188	9.6
147.43539	8.8
149.02461	8.3
150.03230	11.5
151.04041	11.7
151.13615	8.4
155.10855	8.7
161.46909	8.0
162.03299	11.5
165.05635	14.0
165.89659	8.7
171.10219	11.0
172.31270	9.6
179.03532	26.3
180.04272	36.5
194.05833	17.0
195.06609	36.1
209.08182	21.9
217.10925	12.4
259.11938	11.3
421.16513	39.2
421.24823	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23028	3.6
54.31017	3.3
59.01102	5.3
59.01386	100.0
65.17050	3.2
69.30437	3.1
69.30769	26.1
71.01387	24.4
71.37045	3.3
73.02967	6.7
85.02949	9.5
87.00896	7.6
89.02446	19.7
101.02445	26.3
113.02477	6.0
119.03524	10.0
159.04564	4.3
161.04553	6.1
164.04872	3.9
171.40405	3.3
183.13097	3.8
185.08228	4.6
191.05730	4.0
214.99916	7.7
241.14478	14.4
247.02261	3.5
268.02335	4.0
281.87540	3.5
303.14529	12.9
421.15625	31.3
421.21231	57.5
422.21402	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01062	1.0
56.71055	1.0
57.03436	3.3
59.01387	73.5
60.01740	1.2
69.52140	6.2
71.01386	3.0
71.05036	1.2
73.02946	2.0
75.00880	7.3
83.05033	6.1
86.82506	1.0
87.00893	2.1
89.02448	3.6
93.23188	1.1
97.06601	4.0
99.04533	10.2
101.02417	1.7
103.23865	1.2
110.03724	2.5
113.02448	1.6
123.08157	5.7
125.06098	21.2
135.02055	1.3
135.03030	20.6
141.09283	1.2
153.53218	1.1
159.06602	1.2
163.11324	3.3
165.09203	4.1
167.07156	3.8
177.04085	1.2
181.12218	1.0
185.08215	21.9
186.08528	1.6
207.10320	2.3
223.13445	2.3
225.11336	13.7
241.10718	1.1
241.14510	1.8
243.12411	16.0
259.12152	1.4
285.13434	7.3
286.13818	1.5
303.14517	100.0
304.14789	9.0
421.17136	36.7
422.17401	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	421.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.2
58.47710	1.0
59.01385	79.7
60.01698	1.4
69.72153	5.1
71.01368	2.2
73.02918	1.1
75.00866	2.3
77.52243	0.9
83.05023	3.6
86.36131	0.9
87.00841	1.4
89.02454	2.3
95.05001	1.6
97.06574	5.0
99.04528	11.5
100.20751	1.0
101.02451	5.0
110.03753	2.3
111.08134	2.0
123.08187	6.1
125.06094	20.9
135.02998	13.2
137.09793	1.0
141.09181	2.1
142.09525	1.3
146.08250	1.1
163.11310	5.6
165.09224	5.0
167.07109	6.8
172.56819	1.0
181.12343	4.4
185.08199	25.2
207.10184	2.8
223.13348	2.7
224.90410	1.2
225.11362	15.4
241.14468	1.9
243.12393	19.9
271.68640	1.0
277.12149	1.6
285.13455	9.6
286.13773	1.0
303.14517	100.0
304.14838	7.4
421.17084	55.1
422.17529	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	421.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.6
59.01386	95.0
69.18821	14.5
71.01385	19.2
71.69333	1.7
75.00887	3.4
83.05036	18.7
85.02961	3.0
87.00886	5.7
89.02453	13.7
97.06602	3.3
99.04546	6.8
101.02453	9.2
107.05088	2.6
113.02439	5.1
119.03527	4.5
125.06082	5.4
135.03052	16.9
159.06694	10.8
163.11325	3.9
165.09230	5.3
179.05635	1.9
185.08221	5.9
186.42528	2.1
207.10243	2.1
223.13458	2.8
225.11360	11.3
241.14488	3.5
243.12399	21.7
285.13507	8.9
303.14545	100.0
304.14844	10.7
305.54333	1.9
309.64420	2.3
377.18066	1.9
403.20001	3.4
421.16354	50.2
421.21313	18.1
422.17279	5.4
432.18060	2.1
444.51263	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88527	3.2
59.01093	5.1
59.01387	100.0
60.88553	2.5
71.01382	6.7
81.35694	2.4
85.02955	5.4
89.03979	64.7
101.02443	3.2
113.02419	2.5
119.05099	2.4
127.07680	4.0
129.74492	2.7
217.12331	13.8
235.13414	11.6
269.04526	3.6
277.14554	4.9
372.48056	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1876
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01384	9.4
61.98818	2.7
69.03432	2.0
71.01389	1.9
71.27084	0.9
78.41273	0.8
85.02972	0.9
101.02469	1.7
109.02959	7.9
111.04527	1.6
117.03449	1.3
124.01676	6.9
125.02454	13.1
126.02818	1.0
135.04489	1.0
136.01657	1.3
137.02467	33.7
138.03275	11.7
139.04042	14.7
145.03017	1.4
147.04663	1.0
150.03244	1.3
151.04021	13.7
152.04837	6.2
153.05534	2.3
161.02477	1.4
162.03212	3.6
163.03983	4.2
164.04790	2.6
165.05551	3.5
166.02696	1.3
170.02182	1.8
175.04005	4.1
176.04794	3.0
177.05597	11.0
178.06183	0.8
179.03558	2.8
179.07184	2.0
180.04308	11.2
181.05077	13.9
182.05479	1.1
184.03784	3.2
189.05489	1.4
190.06375	1.9
191.07132	3.3
193.05096	2.6
194.05888	8.5
195.06657	32.3
196.06958	1.8
205.08653	1.4
206.05885	2.1
207.06635	6.2
208.07336	1.1
209.08145	6.4
210.08716	1.0
223.05998	0.9
236.06830	1.0
237.07719	1.3
238.08437	0.9
253.10883	1.6
343.11792	1.4
345.13428	0.9
361.12927	11.3
362.13312	1.1
375.14615	3.0
385.89346	0.8
391.14014	16.4
392.14505	2.2
393.39194	1.0
406.16376	38.5
407.16693	3.6
421.18726	100.0
422.19086	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	421.2085
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.70506	1.3
55.01895	5.9
55.36633	1.0
57.03447	4.8
58.00603	3.1
59.01384	65.1
61.19499	1.4
61.98822	1.2
65.84229	1.1
65.97073	1.1
66.18394	1.1
66.39135	1.0
68.14265	1.1
69.03445	2.2
71.01390	100.0
72.01714	1.3
72.65928	1.2
72.99313	5.1
73.02954	26.9
75.00883	1.5
83.01397	15.1
85.02959	36.3
86.03275	1.3
87.00878	4.5
89.02457	41.1
95.01375	6.0
97.02969	4.5
99.00893	11.1
101.02452	65.1
105.35343	1.2
111.00908	8.1
113.02463	28.0
115.04026	1.8
119.03486	2.5
125.02455	6.5
127.11282	2.4
131.03516	25.2
143.03535	3.6
149.04536	9.7
159.02985	3.5
161.04576	22.9
179.16484	1.7
191.05685	2.7
205.03586	2.4
228.72742	1.3
233.06648	5.7
259.19168	2.1
260.54861	1.2
271.15839	1.5
289.16608	45.5
290.17090	4.6
326.93896	1.2
421.20703	35.3
422.21204	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	421.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45830	0.5
59.01385	100.0
59.37669	0.5
60.01717	1.4
62.60513	0.5
63.63606	0.6
63.93282	0.6
71.01394	3.7
73.02946	5.7
83.01408	1.7
85.02963	1.0
89.02451	1.7
99.04536	1.0
101.02441	5.0
110.20183	0.5
113.02515	2.2
131.03476	0.7
152.13599	0.7
161.04614	1.4
177.47836	0.6
192.10355	0.6
421.19269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74800	0.9
57.87009	0.8
66.73366	0.8
69.29659	7.5
73.63542	0.8
74.50916	0.8
78.95918	43.9
110.98546	71.7
151.09387	0.9
152.99586	5.0
167.01144	1.7
181.72903	0.9
185.02219	100.0
186.02538	2.7
253.21756	23.3
360.18845	1.4
421.23291	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	421.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08962	0.6
57.03459	1.9
59.01385	100.0
59.87840	0.7
60.01722	1.5
64.72739	0.7
65.85978	0.6
71.01389	12.0
71.27924	1.0
72.99307	0.9
73.02946	3.7
83.01409	3.9
85.02964	7.4
87.00871	0.9
89.02477	2.0
95.01438	1.0
97.02956	1.0
97.60593	0.9
99.00909	1.7
101.02449	8.7
111.00903	1.2
113.02473	5.2
122.80717	0.7
141.09265	0.9
159.03041	1.0
161.04642	3.2
183.87334	0.7
211.57811	0.8
217.18184	0.9
252.75687	0.7
303.14569	1.0
340.65372	1.0
361.18112	0.7
361.22372	13.2
379.23355	10.9
379.27731	0.9
380.23825	1.5
387.69049	0.9
421.12396	0.8
421.26270	1.0
424.13803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18368	0.7
57.31173	0.6
59.01384	3.3
69.69411	3.5
71.95930	0.5
80.62571	0.6
83.05042	0.8
99.59114	1.1
101.83279	0.7
108.70341	0.6
115.47404	0.6
168.73509	0.7
172.02271	0.6
183.32170	0.7
194.87401	0.6
243.04272	0.7
270.19714	0.7
294.44742	0.7
305.21240	0.9
317.24875	5.6
343.13345	0.7
377.26990	74.0
378.27377	9.0
401.04190	0.7
421.26041	100.0
422.26401	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	422.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98828	3.5
66.44766	2.9
68.97337	7.8
68.97730	29.7
71.01392	47.2
73.02970	5.6
85.02945	7.3
87.00890	5.5
87.04561	3.3
89.02458	42.3
101.02463	31.5
111.08183	5.9
113.02481	18.5
117.73460	3.4
119.03548	10.4
125.43117	3.1
131.03546	14.1
135.03067	3.4
138.05595	6.8
141.09250	6.9
149.02502	15.8
149.04581	30.6
150.03252	24.7
161.04628	5.8
164.04839	3.2
165.05603	29.4
179.05655	4.0
187.09831	11.9
191.05693	9.4
191.07372	3.1
195.06610	17.6
199.13426	5.5
201.11168	3.2
227.09395	7.3
230.13911	3.6
240.32391	3.1
243.12329	19.0
290.88757	3.5
303.14600	6.5
304.14786	17.7
315.12610	2.9
362.21902	9.6
375.14600	12.9
378.18591	11.2
379.16043	27.2
422.17557	13.0
422.23987	39.0
423.18866	31.7
423.24060	4.2
437.75565	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	422.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98828	3.5
66.44766	2.9
68.97337	7.8
68.97730	29.7
71.01392	47.2
73.02970	5.6
85.02945	7.3
87.00890	5.5
87.04561	3.3
89.02458	42.3
101.02463	31.5
111.08183	5.9
113.02481	18.5
117.73460	3.4
119.03548	10.4
125.43117	3.1
131.03546	14.1
135.03067	3.4
138.05595	6.8
141.09250	6.9
149.02502	15.8
149.04581	30.6
150.03252	24.7
161.04628	5.8
164.04839	3.2
165.05603	29.4
179.05655	4.0
187.09831	11.9
191.05693	9.4
191.07372	3.1
195.06610	17.6
199.13426	5.5
201.11168	3.2
227.09395	7.3
230.13911	3.6
240.32391	3.1
243.12329	19.0
290.88757	3.5
303.14600	6.5
304.14786	17.7
315.12610	2.9
362.21902	9.6
375.14600	12.9
378.18591	11.2
379.16043	27.2
422.17557	13.0
422.23987	39.0
423.18866	31.7
423.24060	4.2
437.75565	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	422.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77655	6.0
59.01389	100.0
60.90816	6.0
61.98839	7.1
70.39442	17.2
70.75318	6.4
71.01391	58.2
73.02965	12.1
74.02487	9.0
85.02976	10.0
87.00880	6.0
89.02451	92.0
96.06817	6.3
101.02441	43.3
111.79207	6.1
113.02489	16.9
119.03548	12.0
119.05072	8.6
129.10422	7.3
131.03517	33.9
143.03578	8.0
143.04633	7.9
148.09738	6.3
149.02538	14.4
149.04567	85.1
150.03265	22.1
165.05608	29.0
180.06639	39.5
180.10397	16.0
187.03976	7.2
191.05650	21.2
195.06631	17.5
207.06532	9.1
222.12543	14.0
306.07669	15.6
360.19327	8.1
375.14343	8.0
379.16052	78.6
380.16623	10.0
404.18439	16.4
422.19415	54.6
423.19220	12.9
424.85712	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	422.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37426	1.4
54.25356	1.5
57.03445	3.3
58.03770	1.7
58.47797	1.2
59.01385	100.0
59.53566	1.5
60.01721	8.3
60.63907	1.4
66.08398	1.4
69.13908	4.8
69.14330	6.6
71.01402	10.1
72.99300	1.9
73.02940	2.3
75.00864	4.4
80.03974	1.6
83.05042	4.6
85.02951	4.6
87.00891	2.9
89.02476	7.5
95.05026	1.5
97.06602	3.2
98.06919	1.7
99.00937	1.5
99.04542	9.9
100.04867	3.1
101.02464	4.3
113.02462	2.2
123.08155	2.6
124.08488	1.7
125.06087	12.5
126.06425	8.3
135.03006	15.6
135.56009	1.4
136.03299	2.1
138.05658	1.8
147.69376	1.3
163.69810	1.5
164.11633	3.4
165.09175	1.5
166.09512	2.6
167.07138	3.0
185.08228	10.0
186.08517	12.3
198.12083	1.4
208.10620	2.1
224.13748	2.6
225.11331	6.2
226.11700	9.3
242.14847	2.2
243.12373	7.8
244.12700	12.2
285.13440	2.7
286.13794	7.1
300.73938	1.7
303.14566	26.3
304.14859	81.7
305.15140	6.2
313.13135	1.6
416.31601	1.8
422.17496	39.7
423.10501	2.9
423.17957	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	422.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37426	1.4
54.25356	1.5
57.03445	3.3
58.03770	1.7
58.47797	1.2
59.01385	100.0
59.53566	1.5
60.01721	8.3
60.63907	1.4
66.08398	1.4
69.13908	4.8
69.14330	6.6
71.01402	10.1
72.99300	1.9
73.02940	2.3
75.00864	4.4
80.03974	1.6
83.05042	4.6
85.02951	4.6
87.00891	2.9
89.02476	7.5
95.05026	1.5
97.06602	3.2
98.06919	1.7
99.00937	1.5
99.04542	9.9
100.04867	3.1
101.02464	4.3
113.02462	2.2
123.08155	2.6
124.08488	1.7
125.06087	12.5
126.06425	8.3
135.03006	15.6
135.56009	1.4
136.03299	2.1
138.05658	1.8
147.69376	1.3
163.69810	1.5
164.11633	3.4
165.09175	1.5
166.09512	2.6
167.07138	3.0
185.08228	10.0
186.08517	12.3
198.12083	1.4
208.10620	2.1
224.13748	2.6
225.11331	6.2
226.11700	9.3
242.14847	2.2
243.12373	7.8
244.12700	12.2
285.13440	2.7
286.13794	7.1
300.73938	1.7
303.14566	26.3
304.14859	81.7
305.15140	6.2
313.13135	1.6
416.31601	1.8
422.17496	39.7
423.10501	2.9
423.17957	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	422.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45313	4.2
59.01384	13.6
66.58302	3.9
67.45547	4.7
69.02213	4.2
69.21528	35.2
71.01387	9.5
71.39651	5.1
71.86222	4.2
75.09293	4.8
85.02998	5.8
101.02458	8.3
291.18201	6.4
399.36862	5.4
411.43713	4.8
423.29077	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	422.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.7
60.19738	4.4
69.04720	30.9
69.05140	9.0
73.87265	4.3
89.02441	5.7
126.71281	4.0
168.02498	3.8
170.40625	3.5
188.28972	3.8
221.69295	4.3
250.04129	3.8
272.03714	4.1
322.36774	3.8
423.23962	7.8
423.29095	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	422.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98515	18.6
57.41425	17.3
59.01402	100.0
65.31531	18.8
71.01379	29.5
71.28871	18.6
84.78786	20.1
113.02459	22.8
154.99873	29.8
169.06175	18.7
195.12912	22.5
217.12354	40.8
257.99075	20.3
285.04025	21.9
385.36710	24.5
423.19940	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66653	15.6
59.01389	100.0
60.11599	17.3
71.01369	39.6
89.02456	28.0
89.04074	18.4
101.02451	55.0
107.05169	16.2
154.99846	37.3
167.53461	19.5
183.08847	14.1
202.30380	15.9
212.54712	16.5
233.36320	14.5
237.93805	17.2
249.96965	14.6
291.18097	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	423.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37816	1.2
58.99899	1.8
59.01129	1.6
59.01384	17.3
59.24975	1.0
60.33382	1.1
61.01407	1.2
69.18300	9.5
71.01389	14.7
72.99319	1.3
73.01463	1.2
74.08226	1.1
74.99401	5.6
75.16772	1.1
78.95914	1.8
80.91676	9.3
85.01472	3.5
85.02949	4.7
86.99374	2.1
89.02447	14.4
98.99400	2.4
100.00199	2.1
101.00967	15.5
101.02450	6.7
102.01056	1.6
102.98873	5.0
113.00953	10.3
113.02478	6.3
115.99670	4.7
117.00446	7.7
117.97617	1.0
119.03519	5.2
125.00976	7.7
126.98902	1.3
127.02499	1.4
129.00430	1.9
130.98341	2.2
131.97025	1.3
141.00452	14.6
142.00577	1.7
143.01991	1.3
143.03474	2.1
143.99184	7.3
153.00441	14.9
166.97229	1.2
167.02007	2.4
168.99892	2.4
179.05550	5.7
183.01486	9.7
195.01509	40.0
195.74396	1.2
196.01610	4.2
201.02570	11.1
207.01712	1.8
217.02075	4.8
225.02460	2.0
243.03613	100.0
244.03830	12.3
255.03769	1.8
256.14346	1.2
273.04678	3.2
303.05737	11.2
307.36139	1.4
341.10931	17.5
363.03964	1.5
363.07922	13.6
364.07999	2.1
367.24417	1.3
423.09845	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	423.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
59.01383	100.0
69.85702	2.3
71.01388	57.8
73.02947	6.9
81.03461	3.8
83.01392	15.7
85.02955	11.7
87.04503	4.8
89.02484	2.3
89.06107	4.6
95.01396	4.8
99.00941	2.1
101.02476	10.6
112.01636	2.3
113.02467	10.3
121.02973	46.2
125.02478	5.6
131.07060	3.1
145.18909	2.2
161.04475	2.2
176.81729	2.6
183.40163	2.0
203.09221	1.9
228.74173	2.1
233.10306	53.3
269.93204	2.0
273.44516	2.0
317.35062	2.0
381.11777	6.4
423.12943	49.0
423.29129	3.1
424.12939	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.7
60.26207	1.0
69.00945	5.0
69.01368	3.5
71.01386	5.6
72.99327	1.3
73.02924	0.8
75.00884	2.6
76.97658	0.9
82.02982	5.3
83.25987	1.0
85.02957	2.0
86.88223	1.1
89.02433	4.1
92.05083	1.1
94.02989	1.7
96.04573	3.2
101.02480	4.4
113.02460	2.2
116.92899	1.0
117.46704	0.9
119.03489	1.6
122.03779	3.5
122.06148	1.7
135.03020	8.0
136.04086	1.7
138.05630	100.0
139.05975	3.8
141.08969	0.9
143.13095	0.8
149.04573	1.0
150.03200	1.5
158.21834	1.0
161.04613	1.5
165.05603	1.8
181.12453	1.2
184.08661	0.8
185.39799	0.8
188.06969	0.9
195.06638	1.6
218.06992	2.6
233.09303	4.7
243.12361	5.9
244.09833	1.0
244.12775	0.8
245.09355	1.9
261.12460	13.1
262.12833	1.1
287.10419	3.9
305.11459	50.5
306.11688	4.8
423.13943	3.9
423.18753	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	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.57744	27.8
71.01386	36.6
73.02939	7.0
85.02949	10.9
87.00941	5.8
89.02447	23.5
99.00906	14.3
101.02443	20.2
113.02452	11.2
119.03487	6.8
121.02965	10.8
122.03771	8.1
136.23358	6.6
137.02408	11.1
138.05649	9.0
149.02463	46.9
150.03261	74.4
164.04785	10.6
165.05577	91.1
181.12369	11.1
191.05548	7.2
195.06635	43.8
199.13402	18.6
212.06900	10.6
227.09245	24.7
228.06865	6.7
243.12497	40.9
262.10931	7.5
300.10001	5.9
305.15201	16.9
315.12555	9.5
317.36685	5.7
375.14407	37.6
423.18536	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.57744	27.8
71.01386	36.6
73.02939	7.0
85.02949	10.9
87.00941	5.8
89.02447	23.5
99.00906	14.3
101.02443	20.2
113.02452	11.2
119.03487	6.8
121.02965	10.8
122.03771	8.1
136.23358	6.6
137.02408	11.1
138.05649	9.0
149.02463	46.9
150.03261	74.4
164.04785	10.6
165.05577	91.1
181.12369	11.1
191.05548	7.2
195.06635	43.8
199.13402	18.6
212.06900	10.6
227.09245	24.7
228.06865	6.7
243.12497	40.9
262.10931	7.5
300.10001	5.9
305.15201	16.9
315.12555	9.5
317.36685	5.7
375.14407	37.6
423.18536	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41950	16.2
54.73530	17.7
59.01378	44.4
69.36456	100.0
70.56825	18.6
71.01390	34.3
73.02912	16.4
83.62731	16.4
89.02503	16.4
101.02380	16.9
102.36218	20.3
145.68040	15.5
187.09877	23.3
357.55515	19.7
365.09317	15.9
375.02655	18.8
406.11459	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41950	16.2
54.73530	17.7
59.01378	44.4
69.36456	100.0
70.56825	18.6
71.01390	34.3
73.02912	16.4
83.62731	16.4
89.02503	16.4
101.02380	16.9
102.36218	20.3
145.68040	15.5
187.09877	23.3
357.55515	19.7
365.09317	15.9
375.02655	18.8
406.11459	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	423.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65028	0.7
58.00606	1.0
59.01387	100.0
60.01739	1.2
61.36582	0.8
61.98854	1.3
63.15616	0.8
63.84645	0.8
69.91443	1.4
69.91858	2.5
71.01392	13.0
71.01756	1.1
72.99339	1.1
73.02943	1.2
78.95938	1.1
83.01412	1.1
85.02986	2.1
87.00894	1.1
89.02455	14.2
96.97008	2.6
99.00900	0.9
99.92567	0.9
101.02466	6.3
113.02488	3.8
115.92083	3.9
116.92885	0.9
119.03535	5.5
119.05080	2.5
121.03022	1.5
122.03794	2.8
131.03519	1.5
135.04582	1.5
143.03555	1.0
149.02457	15.3
149.04549	1.7
150.03241	20.7
150.04361	1.1
161.04549	0.8
163.04156	1.6
164.04807	8.0
165.05586	24.2
166.06024	1.7
179.04199	0.8
179.05684	4.4
179.07228	7.1
180.04390	1.6
190.37404	0.8
195.06647	12.3
195.08244	0.8
200.99702	1.7
208.03940	1.2
218.99783	1.4
223.06189	4.7
224.06664	0.7
227.09343	1.3
235.02986	1.1
261.00809	3.6
291.14478	1.6
296.66980	0.9
360.12485	1.1
361.06363	1.7
375.14569	14.2
376.14999	1.3
423.19046	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	423.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92657	0.8
57.03436	1.1
57.90968	0.6
59.01387	100.0
60.01726	1.6
61.98845	1.0
68.23708	0.7
71.01392	14.6
73.02950	2.0
74.47372	0.7
75.00846	0.9
80.93667	0.7
83.01406	1.2
85.02969	3.8
87.00892	1.4
87.72291	0.7
89.02464	4.9
99.04543	0.9
101.02474	4.3
113.02472	2.8
118.98204	0.8
119.03503	0.8
121.03023	0.7
131.03506	0.9
135.03062	1.0
138.05658	1.6
138.16594	0.8
149.02484	0.8
149.04521	1.2
161.04659	1.2
163.11362	0.9
165.05637	0.9
169.08838	1.6
174.50792	0.7
179.05684	0.8
185.08246	0.9
187.09845	1.0
191.05705	1.0
195.06584	1.0
225.11391	0.7
243.12479	3.3
247.07271	1.0
253.27170	0.7
257.05615	0.8
287.67032	0.8
291.14719	0.9
303.14786	1.7
304.14990	1.1
305.11920	1.2
305.15240	2.9
313.12997	6.4
331.14072	4.5
363.16916	1.4
373.39273	0.8
423.10001	1.6
423.18640	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2395
Annotation	Pravastatin
Peak:m/z	Relative Intensity
59.01379	18.1
61.48238	2.8
61.98841	3.7
65.00315	6.0
66.03577	2.6
70.53029	7.9
78.14304	2.6
82.61746	2.8
83.05004	8.7
96.48654	2.7
107.01392	6.9
111.04532	4.2
113.02462	21.7
115.03979	4.8
125.02425	2.7
135.58813	3.1
146.02211	6.0
151.00351	12.5
157.81430	2.8
177.13637	2.8
221.80409	2.5
243.13905	11.9
271.13382	4.1
278.17389	2.5
346.21475	4.6
361.23834	42.3
395.14847	3.2
405.13437	8.2
405.22668	7.6
406.13870	3.8
423.15414	12.9
423.23837	100.0
424.24142	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	423.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61140	0.7
60.43452	0.7
62.53116	0.7
69.17773	0.9
69.18100	5.8
71.26566	0.7
73.85047	0.6
74.12155	0.7
74.25248	0.7
74.63911	0.6
77.49715	0.7
78.04479	0.6
78.95920	13.3
93.40160	0.6
100.69060	0.7
104.97491	1.1
108.08937	0.7
110.98553	8.5
150.08218	0.7
152.99590	2.2
167.01173	9.9
185.02245	2.4
198.25880	0.7
219.19783	0.7
255.23332	100.0
256.23706	8.0
408.71707	0.7
423.25174	12.9
424.25677	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21332	3.1
78.95913	15.7
81.40482	0.4
104.97391	0.4
110.98545	10.8
117.68260	0.4
119.51707	0.5
121.57532	0.4
129.10542	0.4
166.99712	0.8
167.01152	12.6
185.02190	2.2
255.23318	100.0
256.23645	8.3
267.19016	0.4
423.25250	12.2
424.25629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21284	4.5
69.21682	1.6
78.95908	10.7
95.97152	1.0
110.98534	9.2
131.36124	0.8
167.01172	11.3
185.02179	2.1
240.83452	0.9
255.23315	100.0
256.23666	9.0
357.04672	0.8
423.25223	15.0
424.25354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78751	8.3
59.01381	22.0
69.12846	76.2
71.01392	15.0
82.95425	100.0
85.02950	10.9
89.02473	18.7
90.79221	7.9
101.02487	12.2
102.72913	8.8
118.96606	15.9
125.71136	7.8
131.64180	9.8
166.65024	9.6
179.03496	16.4
186.49249	9.2
194.05850	12.2
197.51312	8.7
201.49017	8.2
209.08134	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	425.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	62.6
64.76624	39.8
70.62868	67.7
70.63187	70.3
82.55522	46.5
82.95444	91.9
96.96030	100.0
126.86013	48.6
151.04041	61.2
165.04048	51.4
198.67577	49.3
346.84750	49.2
375.23926	52.2
387.36520	47.7
410.23056	56.0
425.21640	54.0
449.41339	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42412	14.2
59.01389	79.0
61.98809	20.3
71.01398	92.0
71.25870	23.6
73.02959	13.8
78.26970	12.8
80.60492	12.8
80.60990	14.5
82.95422	100.0
85.02973	41.6
89.02486	33.7
101.02465	72.7
109.09451	11.7
109.33713	13.5
110.64315	11.2
110.74886	13.1
112.19559	13.8
113.02483	36.7
118.96657	31.8
119.03455	15.8
133.38205	13.0
152.01172	23.2
161.04549	33.7
167.03531	42.7
179.05620	14.6
245.03629	40.8
294.32037	17.0
425.16638	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	425.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21770	1.0
58.00614	1.4
59.01382	12.6
71.01394	9.9
71.27125	1.1
71.99745	1.0
72.00922	25.7
73.02943	1.8
83.01389	1.1
83.05054	3.1
85.02958	2.5
89.02470	10.2
100.00421	96.9
100.04045	9.8
101.00745	1.9
101.02483	6.6
107.05054	1.5
113.02466	2.6
113.06125	2.8
119.03540	1.7
119.09209	1.0
131.03523	4.0
135.04562	1.0
144.03047	100.0
145.03404	2.8
148.06348	1.3
149.04605	6.4
161.04613	1.6
191.05670	2.6
207.06583	4.1
247.11757	1.0
293.16116	2.9
338.52219	1.0
379.16241	6.5
425.20404	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	89.2
61.98829	5.5
71.01395	72.2
71.28304	11.5
73.02943	13.4
75.02393	38.8
76.79745	5.5
78.95934	6.2
79.01916	6.4
79.44156	4.6
83.01407	8.4
85.02960	26.4
87.00886	12.7
87.02406	89.0
89.02448	25.0
93.03458	7.7
95.01392	6.1
97.02940	6.3
99.00873	7.2
100.28280	4.8
101.02439	33.2
103.00525	5.3
105.03458	17.5
109.02979	20.3
110.92982	5.2
113.02467	26.6
119.01401	100.0
119.03511	14.8
119.04985	5.1
121.02950	6.5
123.04530	15.2
125.02424	6.0
131.01421	48.3
131.03557	5.2
137.02423	10.3
149.02440	9.9
152.07443	4.9
161.04601	11.6
175.07654	70.0
183.08157	16.7
191.05608	7.0
201.09169	7.0
201.12885	48.6
202.39897	5.3
215.09190	5.8
240.38879	6.0
245.08217	59.0
247.05763	5.1
263.09326	9.5
267.08701	5.6
305.12482	6.8
311.07785	17.9
365.21768	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	425.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69103	0.3
58.71712	0.3
59.01382	3.6
60.24633	0.3
63.63176	0.3
65.03967	0.9
69.12907	0.8
69.13308	1.9
71.01379	1.0
73.02938	0.7
83.01402	0.6
85.02965	0.6
89.02471	0.4
93.03467	67.2
94.03814	1.5
98.22593	0.5
101.02467	0.6
113.02531	0.3
137.02458	100.0
138.02800	3.3
143.89954	0.3
148.10432	0.3
154.99843	0.5
199.54642	0.3
347.53461	0.3
348.36371	0.3
381.24042	0.3
425.06622	1.8
425.14404	0.6
425.30432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
57.03446	4.5
58.00603	2.6
59.01385	64.7
69.11588	6.0
69.12017	5.8
71.01391	100.0
71.05029	1.8
72.01759	1.9
72.99308	4.3
73.02954	29.3
81.03497	1.4
83.01395	16.5
83.05026	3.3
85.02966	34.1
87.00882	7.3
89.02454	35.5
95.01408	6.7
97.02935	2.1
98.22620	1.8
99.00905	12.0
101.02455	69.5
101.03130	3.3
101.06094	5.7
113.02467	48.2
115.03992	1.8
119.03519	19.1
125.02457	4.3
129.02016	1.5
131.03529	8.3
143.03505	8.7
159.03012	9.3
161.04572	53.6
179.05609	26.0
221.06686	31.8
222.06940	2.2
263.07843	5.8
263.11374	28.1
264.11612	1.9
326.91748	1.7
425.16669	39.4
426.17145	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	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.1
57.03455	7.3
59.01385	59.7
61.98870	3.5
63.88578	3.4
64.51200	3.4
65.38524	3.2
70.07381	3.6
71.01388	100.0
72.99308	5.4
73.02952	36.3
83.01408	22.5
85.02966	51.2
87.00874	6.5
89.02454	27.6
95.01403	8.7
96.49575	3.5
99.00905	16.3
101.02452	89.8
111.00870	5.3
113.02460	51.5
119.03465	9.2
142.63904	3.8
142.65002	4.3
143.03490	4.3
159.03020	7.3
161.04584	40.9
203.10867	4.5
228.71494	4.5
244.60432	4.5
256.24332	3.6
263.14969	56.1
276.56223	3.7
339.02866	4.1
347.54727	3.8
425.20380	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.1
57.03455	7.3
59.01385	59.7
61.98870	3.5
63.88578	3.4
64.51200	3.4
65.38524	3.2
70.07381	3.6
71.01388	100.0
72.99308	5.4
73.02952	36.3
83.01408	22.5
85.02966	51.2
87.00874	6.5
89.02454	27.6
95.01403	8.7
96.49575	3.5
99.00905	16.3
101.02452	89.8
111.00870	5.3
113.02460	51.5
119.03465	9.2
142.63904	3.8
142.65002	4.3
143.03490	4.3
159.03020	7.3
161.04584	40.9
203.10867	4.5
228.71494	4.5
244.60432	4.5
256.24332	3.6
263.14969	56.1
276.56223	3.7
339.02866	4.1
347.54727	3.8
425.20380	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01379	7.6
61.98825	2.3
65.08784	0.7
67.01879	2.1
68.60192	0.8
68.96404	5.3
68.96818	2.8
71.01394	3.9
73.02948	1.5
75.00868	1.1
83.01423	0.9
85.02959	9.5
87.00866	5.0
89.02432	1.9
93.03464	11.4
94.03745	0.8
98.22571	1.3
101.02434	1.5
111.04527	3.1
113.02460	1.0
119.05011	1.2
119.83934	0.7
121.02959	0.9
125.10516	0.7
127.04032	2.5
135.04543	22.8
136.04958	0.8
136.07687	1.0
147.04547	6.7
149.02434	2.3
149.06119	0.9
149.75305	0.8
155.03569	1.1
161.02464	27.7
162.02829	1.3
162.05643	0.8
163.04022	17.5
164.04752	1.7
173.04623	4.8
174.03168	2.0
175.04028	17.3
176.04381	0.8
181.03355	1.9
191.01869	9.5
191.05627	79.9
192.05969	4.7
192.99634	2.2
201.01892	1.0
202.02649	0.8
205.12343	1.3
208.03822	0.8
209.02791	70.6
210.03041	4.1
216.99687	3.2
221.08270	2.0
223.06160	2.6
235.00746	19.2
236.01099	1.6
243.90559	0.9
253.01778	11.1
254.02023	1.1
427.07065	100.0
428.07367	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	427.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
59.87561	0.8
63.51479	1.0
71.01385	1.2
71.10629	1.3
72.00924	23.2
84.95147	1.4
89.27336	0.8
91.29214	0.8
103.05522	1.6
108.97234	4.1
109.89662	0.9
119.05117	0.9
125.84521	0.9
132.86214	0.9
135.04539	2.0
139.79317	1.0
141.91809	1.0
141.98277	4.8
147.04550	65.7
148.04854	2.1
154.97826	7.3
164.07198	65.9
165.07629	4.6
187.98819	4.6
200.98332	2.8
254.89941	1.0
269.64755	1.0
335.05688	3.3
372.62958	1.1
427.11945	100.0
428.12274	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	427.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
59.20692	1.1
61.98842	5.4
70.34385	1.0
70.38520	1.7
70.38860	2.2
83.07976	0.9
98.22464	1.0
99.92596	54.0
100.92618	2.2
100.93407	4.4
105.59557	1.0
108.74554	1.2
110.32965	1.1
111.00887	3.9
115.92091	75.3
116.92188	3.8
116.92872	100.0
117.92924	5.1
120.79390	1.0
138.38785	1.2
192.68561	1.0
286.68335	1.1
293.04871	14.1
294.05319	2.6
295.06113	1.3
309.04575	1.3
311.05927	1.4
322.05142	13.3
323.05338	1.8
327.21786	1.5
354.04495	1.1
373.11166	18.0
374.11530	2.9
387.09042	1.8
391.12186	19.8
392.12503	3.2
405.09967	6.4
409.13657	5.3
410.13297	1.3
416.95056	1.2
427.14328	22.1
427.18484	0.8
428.14725	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.3
59.01387	59.6
60.83151	2.4
63.02407	34.1
64.15038	2.1
65.03967	3.3
69.19385	10.6
69.19804	8.1
71.01387	54.3
72.99281	3.8
73.02950	7.2
76.90105	2.3
81.03484	12.3
83.01414	3.7
83.05038	100.0
85.02959	22.4
86.00102	3.8
87.00878	11.9
89.02458	37.5
91.05541	3.0
93.03487	4.2
95.01395	4.5
95.05044	4.7
97.02950	4.3
101.02454	33.7
103.59436	2.4
105.03477	6.5
109.02957	2.6
111.04536	5.3
113.02477	20.4
115.78793	2.6
119.01360	2.4
119.03545	14.1
119.05034	13.4
121.02995	3.3
127.04028	50.1
129.07127	27.6
133.02927	3.3
135.04541	9.9
137.06087	6.0
141.03493	2.7
143.03456	4.3
145.05069	8.0
149.02457	17.1
152.01126	4.3
155.05022	2.8
159.06657	4.2
161.04581	11.6
161.05891	2.2
163.04025	3.5
164.04796	13.5
173.09784	2.3
179.07115	3.9
185.09752	15.8
191.05673	3.0
191.07178	13.4
193.01453	10.7
203.10939	4.1
208.03818	16.3
223.06137	40.9
235.08229	4.5
247.09940	8.4
249.13544	5.0
265.14517	3.7
265.85315	2.4
381.17725	17.1
397.67355	2.4
427.15790	42.3
428.16171	5.2
428.25241	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	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37502	0.5
54.49583	0.6
59.01386	100.0
60.01723	1.0
61.98848	1.1
69.12689	5.3
71.01395	2.7
73.02986	0.7
73.73009	0.6
74.93909	0.6
85.02981	1.0
87.63158	0.5
89.02466	1.2
101.02485	1.6
113.02475	0.9
121.02969	13.4
121.03775	0.9
148.05313	5.1
161.04562	0.7
163.07692	4.4
205.12424	1.4
223.13477	0.7
227.60730	0.6
240.17938	0.6
385.19031	0.9
427.23642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.5
57.03457	3.3
58.00607	4.8
59.01386	100.0
65.03967	4.3
69.03439	2.4
69.18043	14.2
71.01392	73.5
72.99324	10.9
73.02949	8.5
77.03975	14.2
83.01399	8.5
83.05029	3.1
85.02965	19.4
87.00883	12.4
89.02455	63.9
93.03492	7.6
95.01426	7.2
95.05033	4.6
97.02950	10.7
98.22761	2.7
99.00885	3.8
101.02449	40.4
107.05058	4.2
109.02964	3.0
110.85670	2.0
113.02474	30.2
113.03204	3.8
118.37343	2.1
119.01376	3.5
119.03522	23.5
119.05023	4.6
121.02972	77.5
122.03318	4.0
125.06080	2.4
131.03546	3.8
134.03738	2.8
143.07156	3.0
151.04054	2.3
151.07793	2.1
157.06694	2.3
159.08192	4.0
161.04616	6.3
173.09785	3.6
175.07658	2.2
177.09251	13.8
179.05717	4.2
185.09760	2.7
203.10725	10.0
215.09309	4.2
219.10475	2.3
221.11880	2.9
229.08768	6.4
247.09778	34.2
248.10190	2.6
283.76074	2.1
305.12485	3.0
427.15665	10.1
427.20874	16.2
427.28839	2.6
428.20380	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	427.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48112	3.1
53.57903	3.0
57.29055	3.3
59.01385	63.4
63.60830	3.3
69.03470	3.0
71.01393	47.0
71.26929	5.1
73.02960	13.8
74.02499	5.3
81.03466	4.0
83.01403	9.1
83.05051	4.0
85.02958	21.3
87.00912	6.4
89.02458	23.7
93.03468	11.6
99.00911	6.1
101.02451	40.3
109.02962	4.7
113.02464	16.8
118.98106	4.9
119.03497	4.3
119.05035	10.4
123.04604	3.6
127.04015	4.4
128.03578	3.8
129.10352	3.7
131.03532	7.6
135.04552	6.6
137.02383	4.0
149.02470	11.6
149.04549	6.1
161.04596	9.6
163.04024	8.1
163.07706	5.0
164.04829	9.6
175.04102	5.2
177.09377	4.5
187.04434	3.2
191.05550	6.1
197.06984	3.2
199.13997	3.3
208.03749	6.5
209.02811	9.3
212.71465	3.3
220.03845	12.4
223.06151	14.0
235.06192	4.2
235.11882	49.7
265.07138	17.2
367.16104	100.0
368.16364	11.3
385.70831	4.3
427.07132	5.1
427.16785	6.0
428.25186	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	427.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00602	1.4
58.96374	0.9
59.01384	100.0
69.03455	1.6
69.41917	1.4
69.42323	4.8
71.01392	31.7
72.99298	1.4
73.02955	41.5
76.59193	0.9
83.01398	10.7
85.02974	5.8
87.00910	1.9
89.02448	11.8
89.02965	1.0
95.01396	2.6
99.00888	1.4
99.84579	1.2
101.02454	36.4
113.02466	14.5
113.06100	1.7
119.03530	4.7
121.02952	0.8
123.08154	2.2
125.02499	0.9
125.12915	0.7
131.03549	2.9
143.03535	2.5
147.08182	2.2
149.04556	2.8
153.09244	8.8
155.03539	1.5
161.04581	9.3
179.05612	2.0
187.11369	1.5
189.09164	1.7
189.22919	0.9
205.12360	13.5
223.13443	2.9
234.55159	0.9
367.17633	3.8
385.18588	5.3
427.19797	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	427.1977
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.25439	0.4
55.01886	1.0
57.03451	0.8
58.00594	0.5
59.01390	12.6
71.01393	10.4
71.27940	0.5
72.99326	0.5
73.02953	3.9
73.03588	0.4
76.31703	0.4
83.01400	2.7
85.02970	5.3
86.00096	0.7
87.00877	0.8
89.02460	2.7
95.01405	0.9
99.00903	1.7
101.02453	10.0
111.04525	0.5
113.02498	3.8
119.03516	0.8
161.04582	1.1
189.12842	0.7
201.12769	0.9
203.14482	0.8
219.13953	1.3
227.07123	0.4
247.13422	1.1
265.14487	2.6
307.15460	0.5
427.19778	100.0
428.20114	11.7
429.67572	0.4
452.84869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00602	1.4
58.96374	0.9
59.01384	100.0
69.03455	1.6
69.41917	1.4
69.42323	4.8
71.01392	31.7
72.99298	1.4
73.02955	41.5
76.59193	0.9
83.01398	10.7
85.02974	5.8
87.00910	1.9
89.02448	11.8
89.02965	1.0
95.01396	2.6
99.00888	1.4
99.84579	1.2
101.02454	36.4
113.02466	14.5
113.06100	1.7
119.03530	4.7
121.02952	0.8
123.08154	2.2
125.02499	0.9
125.12915	0.7
131.03549	2.9
143.03535	2.5
147.08182	2.2
149.04556	2.8
153.09244	8.8
155.03539	1.5
161.04581	9.3
179.05612	2.0
187.11369	1.5
189.09164	1.7
189.22919	0.9
205.12360	13.5
223.13443	2.9
234.55159	0.9
367.17633	3.8
385.18588	5.3
427.19797	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	428.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00827	0.8
55.01886	0.9
57.03456	1.6
59.01388	100.0
60.01733	1.3
69.03494	1.3
71.01394	15.8
72.99334	1.1
73.02956	9.5
83.01419	2.8
85.02540	0.7
85.02964	4.2
87.00891	0.8
89.02475	5.5
95.01408	1.2
99.00897	1.1
99.04564	1.4
101.02464	11.7
111.45268	0.9
113.02454	8.3
119.03542	3.0
128.03612	1.2
131.03540	0.8
135.04573	4.2
143.03571	1.0
161.04556	7.6
162.05019	0.8
162.09351	3.3
162.56143	1.0
177.05573	1.0
205.12376	2.0
206.12776	1.0
219.06374	0.8
225.15027	3.9
228.36064	0.9
369.19397	2.5
387.20459	2.5
387.68381	0.8
428.20169	1.9
429.22052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.1
59.01385	100.0
60.01723	3.6
61.98824	3.0
63.52507	2.7
69.25853	22.3
71.01033	3.4
71.01393	29.3
73.02965	16.0
82.78950	3.7
83.01408	3.1
85.02969	8.1
88.00193	3.1
89.02470	12.6
96.04716	2.9
101.02442	19.0
109.06526	3.8
113.02486	11.5
119.03503	7.6
123.04529	3.0
134.03775	3.9
147.08063	2.9
147.93196	3.0
153.09204	3.3
161.04596	15.5
179.05588	3.6
179.10793	76.2
180.11099	3.9
187.11272	5.9
189.09224	3.6
193.04993	3.5
205.12364	79.3
205.14276	4.6
206.12691	7.3
207.10310	2.9
223.13416	13.3
224.84279	3.8
429.17297	23.1
429.22885	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	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70428	4.3
59.01384	94.7
67.32981	4.6
71.01389	100.0
72.99308	11.5
73.02950	11.0
73.04051	5.6
83.01394	6.8
83.05035	16.3
85.02950	27.7
87.00912	7.9
88.04018	6.2
89.02450	62.9
93.03504	6.7
95.01420	9.7
95.05093	6.1
97.02977	9.2
99.00961	6.9
101.02460	57.4
105.03481	12.0
109.03053	5.8
113.02470	39.0
119.03518	23.4
119.52708	4.3
127.05196	5.5
128.03542	11.7
129.10370	6.2
130.08723	5.5
138.06903	10.9
139.07681	7.9
143.24648	4.9
145.06198	6.3
151.07631	11.5
152.08440	16.8
153.09232	55.3
161.04575	31.0
179.05652	11.6
205.12425	32.8
207.06628	9.9
223.13385	23.6
223.45427	4.8
231.10281	7.6
232.36974	4.9
249.11566	7.9
306.17529	5.1
385.18668	31.4
428.15833	6.7
428.25177	27.2
429.17667	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.1
59.01384	100.0
61.98812	6.1
63.25035	2.1
63.58944	2.1
67.48551	2.2
71.01390	47.9
71.28211	4.6
72.99316	2.7
73.02927	8.1
83.01381	3.2
83.05060	3.1
85.02943	12.0
87.00879	7.8
89.02454	57.5
91.05566	3.0
91.56136	2.5
95.01388	2.9
99.00861	2.6
101.02464	26.9
105.03472	2.9
107.05045	3.0
108.02177	2.6
113.02465	20.5
119.03515	22.8
121.02944	5.0
129.01901	2.9
131.03494	3.0
135.02919	3.4
135.04553	4.3
139.04066	2.7
143.03448	4.6
149.02478	3.6
150.02751	3.1
153.09341	2.6
161.04588	11.0
167.03415	2.9
172.95920	2.1
177.09244	2.9
179.05626	18.8
191.05713	2.6
193.05066	3.3
197.04146	2.0
205.12357	9.0
208.03687	2.8
223.06140	3.9
224.06453	7.4
249.11461	3.4
261.68250	2.3
298.89426	2.5
385.18799	7.9
428.24936	2.8
429.17685	14.3
429.22739	4.8
437.98120	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	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95534	11.4
59.01384	49.7
61.51252	11.0
69.09864	100.0
69.10251	21.0
71.01411	16.8
89.02457	27.0
89.75751	11.2
91.95583	10.2
108.36252	10.5
113.02474	16.4
119.03521	16.4
124.43400	10.4
150.51381	10.2
177.16522	12.1
179.05630	24.9
432.19427	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	428.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
65.03951	1.1
68.95738	7.3
68.96161	5.2
71.01390	27.2
72.01718	1.2
72.99304	2.1
73.02943	3.2
80.93654	1.2
83.01374	1.5
83.05036	1.7
85.02943	5.3
87.00881	1.2
89.02457	27.0
95.01441	1.4
96.97397	1.1
99.00961	1.2
101.02440	18.1
113.02467	11.4
114.02773	1.2
119.03511	14.6
121.02957	3.1
127.04049	1.9
130.08711	2.0
131.03473	2.1
143.03531	2.7
149.04570	1.4
152.59456	1.1
153.00331	1.0
153.09213	3.4
161.04547	4.7
179.05624	8.3
180.05992	1.4
205.12378	5.2
220.87396	1.2
385.18646	12.8
404.19714	1.4
428.20056	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	428.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.5
59.01097	4.2
59.01386	64.1
70.80360	3.6
70.80683	4.0
71.01388	11.5
73.02948	2.9
85.02982	6.1
89.02471	3.6
98.22421	2.7
100.73373	2.5
101.02483	10.0
108.16600	2.2
113.02469	7.4
123.04552	6.7
123.08168	2.9
147.08170	3.9
151.11250	2.8
159.03079	3.7
161.04593	26.8
179.10802	100.0
180.11140	5.7
187.11302	5.1
205.12357	72.1
206.12683	5.1
223.13411	10.9
232.58441	2.3
243.69725	2.4
253.74936	2.4
341.16080	3.0
343.93243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88733	0.9
57.88360	1.0
59.01382	8.3
69.29422	7.0
71.01395	8.8
73.02948	3.4
85.02962	3.6
87.00887	100.0
88.01197	2.0
89.02480	5.0
90.64696	0.9
99.00867	1.5
101.02465	5.3
105.05575	0.9
107.05064	6.2
111.00828	1.0
113.02486	5.0
115.00375	2.2
116.23064	1.0
119.03512	2.4
131.03508	0.9
135.04553	3.2
137.06105	1.1
138.14742	0.9
150.14742	0.9
153.10338	1.1
161.04623	1.8
161.06093	1.2
162.88828	1.1
163.04066	2.5
164.04803	2.9
165.05574	3.4
179.05638	1.6
189.05577	1.0
191.05644	2.1
207.06558	4.9
249.07668	1.6
267.08487	1.2
267.10919	3.9
341.08862	4.6
341.11636	1.5
408.90002	1.0
429.16751	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	429.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28885	3.6
59.01384	100.0
71.01384	31.5
71.27966	6.3
73.02960	11.1
74.50071	4.0
82.68964	3.5
85.02988	8.6
89.02455	24.6
101.02453	22.1
113.02470	11.0
119.03538	6.6
120.50323	3.5
143.07169	5.2
154.99879	5.2
156.38657	4.5
161.04547	6.9
179.05449	4.8
219.37122	3.7
267.15854	4.4
311.10568	4.1
387.20352	6.7
429.21255	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90128	0.6
61.64502	0.6
61.98837	13.8
76.69459	0.7
99.92599	58.9
100.92616	3.8
100.93382	4.7
115.92094	94.0
116.30138	0.6
116.92168	5.1
116.92875	100.0
117.92885	4.5
118.89991	1.6
132.92366	1.5
135.98874	0.7
139.11299	0.9
143.13478	0.7
163.22894	0.6
211.13472	1.4
237.04990	0.7
267.03427	1.8
279.03137	1.0
281.04669	0.8
287.02197	0.8
291.03363	1.0
293.04922	16.8
294.05084	2.4
310.05273	1.6
311.05923	1.5
311.10416	0.9
329.23535	4.0
331.24115	0.8
375.12732	22.0
376.12872	3.5
379.12234	1.1
389.10657	2.7
393.13809	31.2
394.14032	4.8
407.11700	10.6
408.11981	1.3
411.14862	4.4
429.15884	24.8
429.20999	1.6
430.16104	4.3
450.46091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.9
56.06563	2.7
57.03453	3.6
59.01384	100.0
65.03944	3.2
69.52573	17.9
69.81317	2.9
71.01392	72.4
72.99313	4.4
73.02949	12.3
73.17384	3.2
73.81902	3.3
74.02489	6.8
77.04001	4.4
83.01392	8.5
85.02956	24.9
86.84164	3.3
87.00888	26.2
88.04047	14.4
89.02449	45.6
91.05550	21.9
93.03473	3.5
94.56724	2.7
95.01398	8.0
95.05058	11.1
96.00970	3.9
97.02959	37.1
98.02539	3.8
99.00884	10.6
101.02445	36.6
105.07085	5.9
107.05032	9.1
109.02958	7.2
109.06602	6.0
111.04506	3.1
112.01698	3.6
113.02465	28.4
113.06083	4.0
115.07621	3.0
119.01371	3.3
119.03514	17.9
121.02972	43.1
127.05173	7.0
128.03595	5.6
129.10359	4.1
130.08772	3.2
131.07211	3.7
134.03716	4.4
135.04544	48.3
137.06100	4.5
139.04047	18.8
139.09860	3.1
145.06200	6.9
149.06165	5.2
151.04008	4.9
158.05067	2.8
161.04552	10.5
167.03493	4.2
169.09900	3.4
179.05602	4.4
183.11200	2.7
188.93599	3.2
193.05019	3.3
203.09319	6.9
205.12389	8.8
217.10715	3.5
225.06712	4.7
231.10304	5.6
249.11346	29.7
255.66737	3.7
267.12463	11.9
274.03946	3.6
281.11572	4.5
327.06161	3.3
394.19672	15.4
411.22311	8.9
429.17715	88.3
429.23514	24.7
430.18024	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.7
59.01387	100.0
63.66151	2.4
65.03971	14.5
69.03455	3.3
70.06638	10.8
71.01391	72.1
72.99312	7.4
73.02959	5.5
74.02456	2.4
81.03460	5.3
83.01421	7.6
83.05044	15.9
85.02969	14.5
85.06603	6.9
87.00878	2.8
89.02454	54.2
91.05550	8.5
93.03468	61.0
95.01424	7.0
95.05080	4.0
97.02981	6.8
98.02481	3.4
101.02455	31.1
105.03483	13.5
107.05043	4.9
109.06584	6.3
111.04544	11.1
113.02461	24.3
116.07130	4.8
117.03443	3.4
119.03536	28.9
119.05039	53.5
121.02956	3.0
121.06635	6.3
128.03575	3.1
129.05600	68.1
134.03763	80.8
135.04123	4.1
137.02425	5.9
137.06117	19.0
143.03508	4.7
149.06120	35.5
153.01913	2.5
153.05620	3.2
157.10313	6.1
161.04619	5.1
178.02740	29.0
179.05630	9.7
187.11278	11.5
193.05101	46.6
194.05472	3.5
205.12344	4.4
208.90909	2.4
249.11250	19.5
267.12372	7.5
394.19769	5.1
411.22565	5.1
429.12964	59.2
429.18176	28.2
429.23734	8.4
430.14023	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	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.5
57.03440	14.0
59.01383	31.7
69.03453	5.5
71.01389	44.6
73.02953	53.7
74.03311	3.8
77.03942	7.8
81.03423	3.7
85.02952	14.5
87.04524	53.0
87.91956	4.0
89.02444	15.2
93.03482	5.5
95.01409	4.0
95.05035	9.7
97.02940	4.6
98.22549	6.4
99.00899	4.2
101.02446	18.8
105.03474	100.0
107.05028	11.7
109.02945	8.3
111.04520	4.0
113.02456	17.1
119.03611	3.6
119.05030	6.8
123.04443	4.0
133.06601	6.6
134.70941	3.4
135.04539	19.3
143.03514	4.0
143.07121	7.2
160.18430	3.7
161.02400	4.7
161.04550	10.0
161.06110	12.1
179.03548	5.7
179.07251	3.1
195.88483	3.6
214.88699	3.1
231.10330	4.0
249.11394	5.7
267.08926	5.8
267.12286	6.9
317.38712	3.3
323.07617	4.6
421.43604	3.7
447.57129	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	429.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85778	4.0
57.03470	4.9
59.01104	5.3
59.01387	95.0
60.64921	5.0
61.10070	4.2
62.01600	5.1
63.02399	9.2
63.33724	4.4
71.01391	100.0
71.73803	4.0
73.02941	17.3
81.03464	16.5
82.91235	5.1
83.01358	4.8
85.02975	31.1
86.00124	7.0
87.00880	16.8
87.04572	7.6
87.05616	8.2
89.02462	68.2
93.03475	5.4
95.01396	14.6
95.05028	6.2
97.02972	6.1
98.41936	4.8
99.00847	4.8
99.04538	15.7
101.02457	38.9
105.03474	7.6
107.05016	5.4
113.02460	31.6
119.03503	17.9
119.05025	56.9
120.50729	5.1
123.04493	5.5
125.06181	4.9
128.03540	13.2
134.03793	24.6
135.04517	12.2
137.06087	9.1
145.05151	10.6
145.06288	5.3
149.06075	10.2
161.02415	15.8
161.04536	18.4
175.07642	10.7
178.02795	13.0
179.03531	8.1
179.05603	9.7
191.05618	12.0
193.05051	39.5
197.14908	6.0
205.08684	6.2
225.11310	5.5
235.08264	17.1
266.97568	5.8
267.08832	6.7
268.09088	5.4
323.07700	12.5
345.69962	5.4
387.16678	11.2
429.24274	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	429.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55444	0.7
57.03434	1.5
58.00584	2.4
59.01386	100.0
60.01723	1.3
65.02814	0.9
66.56613	0.8
69.03452	1.1
69.77762	0.9
71.01390	44.5
72.99314	2.8
73.02959	20.1
81.03465	1.4
83.01385	7.5
83.04532	1.3
83.05034	25.0
85.02952	6.5
87.00871	2.6
87.39775	0.8
89.02457	36.7
93.03480	1.5
95.01379	2.1
97.02987	1.0
99.00875	1.7
101.02456	34.1
106.04366	1.0
106.07476	0.8
113.02466	16.1
114.02753	1.1
119.03526	18.3
119.05000	1.6
121.06661	2.3
125.02475	1.9
127.04026	11.7
130.08684	0.9
130.71811	0.9
131.03525	2.7
132.55484	0.9
137.09767	1.2
143.03528	3.5
149.04527	1.8
161.04544	4.9
179.05681	3.7
187.11330	1.7
187.14847	0.9
191.05507	1.4
205.12346	3.0
207.10243	4.3
207.13841	1.1
218.09131	0.9
225.11331	1.7
225.14961	6.2
229.07919	1.0
249.11421	4.2
288.78510	1.1
307.79340	0.9
369.19318	1.3
375.15134	1.0
387.16391	1.2
428.70782	0.9
429.17352	21.7
430.17963	1.8
436.30417	0.9
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
57.03442	2.5
58.00592	2.3
59.01386	100.0
60.01717	1.1
65.03941	1.6
70.14580	1.0
71.01390	40.7
71.75475	1.1
72.99316	3.6
73.02579	1.7
73.02957	17.0
74.91824	0.9
75.00904	1.1
81.03463	2.1
83.01366	4.8
83.05033	23.2
85.02952	9.0
87.00887	1.7
89.02457	34.8
95.01404	2.1
97.06590	1.4
98.22054	5.1
101.02450	34.9
113.02467	13.1
119.03513	16.2
121.06587	2.6
127.04015	10.2
129.45660	0.9
131.03506	2.1
143.03502	3.6
149.04529	1.3
161.04604	4.1
167.09839	1.0
179.05640	4.3
184.07303	1.5
187.11317	2.8
191.40793	0.9
195.13892	1.3
205.12305	3.2
207.10229	2.5
225.11368	2.5
225.14999	8.9
249.11333	4.5
267.15875	1.8
364.99380	1.1
369.19199	1.4
387.16275	1.4
387.20526	1.5
429.17532	19.5
430.17459	1.2
436.03830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20303	0.3
70.45226	1.2
99.76721	0.4
99.92585	4.0
100.93361	2.9
112.63638	0.4
115.92090	100.0
116.92101	4.6
116.92880	6.8
132.92372	0.9
136.20641	0.5
151.48955	0.5
172.95476	11.7
173.95416	0.5
202.24464	0.4
213.69717	0.4
222.47595	0.4
255.23334	0.5
296.87885	0.4
355.15973	1.6
356.15848	0.4
371.15591	0.5
381.17456	1.6
429.19443	8.3
429.29132	0.7
430.19592	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	1.1
69.01366	4.3
71.01385	3.1
73.02955	0.9
85.02972	0.6
87.00901	0.7
87.90462	0.4
89.02481	1.7
98.21827	1.0
99.04545	0.5
101.02473	2.1
113.02486	1.5
116.26711	0.4
118.49913	0.5
119.03532	0.6
139.04379	0.4
142.84244	0.4
162.38358	0.4
251.33197	0.4
263.70895	0.4
275.22769	0.4
276.26096	0.4
284.03540	0.6
285.04156	0.6
363.81195	0.4
369.19376	0.4
387.20648	0.5
429.08609	0.6
448.78830	0.4
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
59.01387	100.0
60.01718	0.9
69.39078	4.1
71.01392	5.1
73.02961	1.2
75.90931	0.5
83.05042	0.7
85.02938	1.1
87.05667	0.7
89.02437	4.4
90.02813	0.5
96.00941	0.6
101.02473	3.2
106.95896	0.5
109.01730	0.7
113.02495	2.3
117.26241	0.6
119.03526	1.4
127.05199	0.5
128.03519	0.5
130.08797	2.2
138.09296	1.0
143.03661	0.6
145.47620	0.6
146.63068	0.6
161.04614	2.2
166.08807	0.6
174.10213	0.5
183.57971	0.6
225.14926	1.2
323.16068	3.4
386.19159	0.8
387.20096	0.8
411.22275	2.6
429.22586	1.3
433.05725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85088	0.8
56.24883	0.7
59.01384	100.0
60.01727	1.2
61.13602	0.8
69.13815	0.8
69.14417	5.2
71.01385	1.6
89.02424	1.6
98.22651	0.8
101.02506	1.3
113.02457	1.1
321.16962	0.8
342.08401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09323	0.6
54.07034	0.7
57.69234	0.9
59.01387	100.0
60.01725	0.8
71.01391	12.5
85.02974	2.6
89.02458	17.2
89.02968	1.3
93.06172	0.8
95.01430	0.9
101.02433	6.3
113.02455	5.5
115.15840	0.6
119.03516	6.5
131.03564	0.9
137.09784	2.5
143.03493	1.0
161.04623	2.3
179.05679	3.4
228.93690	0.9
291.32953	0.7
348.75131	0.8
429.21341	3.6
430.27902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3012
Annotation	Plastoquinone 1
Peak:m/z	Relative Intensity
54.23173	0.3
55.01847	0.4
69.08397	1.2
69.08824	2.1
71.01389	15.8
71.05019	2.3
74.46934	0.3
78.95893	0.3
80.02670	1.3
81.03459	0.7
81.68672	0.4
83.05035	2.7
97.06548	1.5
97.70570	0.5
104.74570	0.4
109.06577	0.4
121.06581	0.7
123.08176	3.7
135.08200	1.7
137.09761	1.7
152.99557	0.5
203.89502	0.3
252.50233	0.4
259.71027	0.4
311.20251	0.4
313.21448	0.4
325.21573	0.5
327.23337	0.4
329.24942	1.7
341.24918	4.2
342.25168	0.7
355.22394	0.5
355.26498	8.0
356.26828	0.9
357.28018	49.1
358.28320	5.6
371.25919	4.4
372.26294	0.4
385.31100	1.0
389.27011	21.5
390.27399	3.4
399.50534	0.4
401.26917	0.8
429.30136	100.0
430.30481	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	430.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31499	0.4
56.29555	0.4
56.84095	0.5
58.42209	0.4
58.70546	0.4
59.01384	24.7
63.03782	0.5
70.70546	0.7
71.01398	1.0
72.99279	0.6
74.99370	0.4
75.57062	0.4
89.02419	0.6
90.97138	1.3
96.08868	0.4
101.02451	0.5
110.16810	0.4
117.00436	0.9
118.96779	0.5
121.76093	0.4
125.00931	0.7
130.08752	100.0
131.09129	3.0
132.98236	1.4
137.03581	0.8
141.98296	0.7
146.99738	0.6
149.64383	0.5
157.03601	0.6
159.01440	0.5
160.97684	0.5
167.01866	0.6
174.99260	5.8
187.98697	0.8
201.02643	3.8
217.00316	16.4
218.00713	0.9
228.07291	1.2
230.08861	2.2
244.04938	2.2
246.06593	2.0
258.03827	0.6
262.97510	0.5
272.09955	15.3
273.05005	0.5
273.10162	1.5
288.07687	71.3
289.08035	3.7
290.97125	2.1
292.98489	0.6
294.00223	1.4
294.99982	0.8
298.99292	0.7
300.51019	0.5
306.56628	0.5
340.00754	0.7
352.03543	0.6
371.01590	1.3
389.02524	1.2
430.08957	8.2
430.22339	16.7
431.09164	0.8
431.22684	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18596	4.1
57.03449	4.9
59.01389	71.5
59.43829	4.1
61.22172	3.7
62.81056	4.2
69.18018	9.9
69.18416	27.4
71.01386	32.8
73.02954	9.2
74.28024	4.3
85.02957	12.9
89.02478	23.9
90.94793	5.8
99.87002	4.9
101.02447	23.8
113.02473	13.5
119.03532	7.9
135.05434	4.0
137.09718	8.5
146.33122	4.3
161.04552	21.7
179.13004	5.0
195.13962	5.4
197.15495	9.3
207.13934	4.7
225.15001	100.0
261.64899	5.3
268.03665	5.2
280.20065	4.5
354.81516	4.0
387.20325	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	47.5
59.77637	16.3
69.35448	100.0
69.35857	27.3
71.01386	23.1
85.04639	16.9
98.21772	18.5
101.02333	19.2
146.49588	16.6
151.05508	16.7
195.36034	15.1
359.06281	16.2
380.47476	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	430.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26497	2.7
57.73317	2.7
59.01384	27.4
62.67386	2.6
69.09669	3.7
69.10072	19.5
71.01384	15.9
83.01414	3.7
85.02943	4.4
87.00895	3.8
89.02454	11.1
95.01421	3.2
101.02445	8.4
113.02465	4.2
113.42506	2.6
119.03502	3.5
151.00360	2.9
182.05658	2.6
222.01704	2.5
239.03502	5.0
240.04300	4.5
240.08125	2.7
268.03806	100.0
269.04575	40.2
375.51614	2.9
431.09918	69.0
431.15466	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	430.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.89608	5.7
65.04910	5.3
69.30892	33.7
71.01388	55.7
74.02503	8.5
78.40471	5.9
83.01398	7.6
85.02965	10.5
87.00903	8.1
89.02456	56.0
99.00903	7.5
101.02443	28.1
105.03500	20.6
106.03838	11.7
106.27842	5.4
113.02470	14.4
119.03494	20.2
121.32977	6.2
127.00398	14.3
128.03563	5.9
145.01428	17.7
161.04590	15.2
179.05658	6.8
179.10846	7.4
268.03781	6.8
303.14618	19.3
431.15121	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	430.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.8
61.98838	6.7
69.44935	6.1
71.01387	2.7
72.00916	10.5
78.95855	0.9
81.96836	0.9
85.02990	0.9
87.00877	1.6
88.04063	1.1
88.98817	1.5
89.02463	1.9
99.06727	0.9
101.02464	1.2
104.79371	0.8
109.02965	1.3
121.03038	0.9
142.77899	1.0
147.04535	37.0
148.04811	1.7
153.01958	1.9
164.07181	100.0
165.07474	2.9
182.19598	0.9
191.05510	1.2
200.74835	1.2
208.06993	1.0
213.43602	1.0
228.48718	1.0
228.51498	1.0
269.06714	1.3
314.64496	0.9
430.09308	2.2
431.11063	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	430.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28601	2.9
57.03461	6.4
58.00599	3.0
59.01096	6.3
59.01384	100.0
60.01707	5.4
65.21310	2.9
69.07497	5.5
69.07893	28.9
71.01385	68.4
72.99303	6.7
73.02970	15.7
76.84014	4.1
83.01395	9.4
83.05004	4.2
85.02966	25.8
87.00883	7.7
89.02456	53.7
93.03477	10.7
94.03780	4.5
95.01398	7.8
98.02435	3.3
99.00895	6.9
101.02458	56.7
105.03457	19.4
106.03801	14.8
113.02456	28.4
119.03512	20.8
119.05037	9.6
120.05409	3.8
125.74189	3.0
127.00379	6.6
129.05632	13.9
130.05922	4.5
130.08723	3.3
131.03519	7.6
134.03749	10.0
135.04070	4.3
135.89014	3.1
137.06050	4.1
141.90503	3.0
145.01463	7.7
149.04520	8.4
152.55428	3.8
161.04575	12.3
163.11253	3.6
178.02725	3.8
179.05522	4.0
191.05627	6.8
193.04962	3.6
194.05467	3.8
223.47980	3.2
236.18080	3.5
245.07671	4.0
268.03821	11.4
269.04602	10.7
269.10300	13.8
303.14508	13.9
309.87897	3.8
356.76468	3.4
430.18512	25.6
431.09729	9.5
431.15359	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	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
63.02402	0.8
63.02721	0.2
64.02446	0.2
65.00354	0.5
69.10040	0.3
69.10445	1.4
69.40819	0.1
71.01402	0.2
73.19690	0.2
83.01412	0.7
83.79628	0.3
89.02426	0.2
105.03456	0.2
107.01410	2.1
112.68838	0.2
117.03457	1.8
121.02981	0.2
143.81247	0.2
148.01666	0.6
149.02470	1.1
149.99603	0.5
151.00378	3.6
159.04536	0.3
171.04556	0.8
172.05367	0.9
183.04591	0.3
184.05267	0.6
195.04543	0.3
196.05251	1.0
198.03288	0.2
199.03979	0.5
200.04808	0.6
201.05635	0.3
204.02153	0.2
211.04024	1.9
212.04878	0.8
222.24585	0.2
225.05682	0.3
227.03658	0.3
239.03525	3.7
240.04320	4.2
241.04732	0.5
265.04877	0.2
267.03088	1.8
268.03799	100.0
269.04477	31.4
270.04910	1.9
281.04584	0.3
283.06085	0.5
284.18793	0.2
289.45218	0.2
311.05804	1.3
372.39880	0.2
401.69479	0.2
419.58951	0.2
431.09863	72.0
432.10168	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	431.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
59.36745	1.2
60.99314	11.9
68.88052	1.1
69.66927	6.0
71.01408	1.7
85.02998	1.2
87.00908	2.0
88.86829	1.3
88.98815	100.0
89.02450	15.5
135.02992	1.3
173.02026	1.3
191.05670	3.9
270.10025	1.8
432.29559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
59.01383	15.6
71.00989	2.0
71.01391	37.8
72.99334	2.7
73.02957	10.8
74.48769	1.9
75.00874	25.9
79.37831	1.8
83.01385	4.9
85.02979	16.8
87.00870	2.0
89.02453	8.0
93.03427	2.1
95.01402	2.8
96.96019	1.9
97.02946	3.3
98.21786	3.6
99.00892	5.9
101.02468	20.0
106.04305	2.0
107.05042	69.9
108.05385	2.0
113.02461	17.9
135.03017	100.0
136.03447	1.9
143.03528	1.7
151.02884	3.9
151.04030	49.9
159.02988	2.5
161.04558	17.9
164.87462	1.8
173.94336	2.0
205.03589	2.2
212.02473	2.0
230.61835	1.9
244.25441	1.7
263.33463	1.9
313.09302	10.7
431.11938	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1327
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01385	85.3
65.27001	17.8
71.01389	76.3
71.26099	21.0
75.00909	18.1
85.02974	19.2
87.00887	17.3
88.98817	60.0
89.02457	54.6
89.23598	19.8
101.02396	41.0
107.05022	18.4
109.03008	19.0
135.03052	38.9
151.04007	22.5
160.49504	17.7
198.34166	21.6
431.12793	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	431.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	91.1
69.21678	57.6
69.22086	100.0
71.01402	25.3
72.51579	20.4
73.02974	49.4
89.02459	23.6
98.21795	44.1
100.34499	22.6
117.54754	20.3
146.07062	19.3
161.04695	24.8
171.41844	23.6
268.03806	55.6
403.31186	23.1
431.09747	49.5
456.41330	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	431.1564
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01873	3.1
57.03448	3.5
58.00607	1.7
59.01384	100.0
67.43871	0.9
69.03467	2.0
69.30949	5.2
69.31360	1.4
71.01387	50.7
72.99313	3.2
73.02955	13.7
75.00887	1.4
81.03484	1.0
83.01406	7.6
85.02957	22.2
87.00882	4.0
88.03991	1.0
89.02451	17.2
89.02968	1.4
95.01410	4.2
97.02948	2.0
97.06557	1.1
98.21820	1.9
99.00884	6.7
99.04545	4.5
101.02451	36.8
102.02753	1.1
102.05643	1.5
105.03451	5.1
106.03821	1.8
107.04998	1.3
109.06622	1.8
111.00928	1.4
112.01648	1.2
113.02469	21.2
119.03507	4.1
125.02421	2.6
127.00316	0.9
128.03551	2.3
129.01988	1.3
131.03572	1.8
131.07175	4.6
143.03528	3.7
146.04626	1.4
149.02458	1.2
149.04559	1.4
159.02983	3.9
161.02444	4.0
161.04576	20.9
167.12103	1.0
176.04800	3.4
179.05624	2.0
191.07161	2.7
195.06670	1.3
196.22279	0.9
209.08241	8.4
210.08484	1.1
221.06702	1.8
249.06168	2.3
268.03842	2.0
269.10321	22.4
270.10672	1.6
303.14145	1.2
316.47910	1.1
342.40561	0.9
349.11502	3.5
431.10199	1.3
431.15442	21.1
431.24393	1.5
432.18207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1565
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
55.01876	1.8
57.03438	2.2
58.00589	4.9
59.01388	100.0
61.98841	4.9
62.53954	1.4
69.03484	1.7
70.23837	3.1
70.24199	3.7
71.01389	85.6
72.99310	4.3
73.02959	12.4
73.04089	1.8
73.82076	1.7
74.02489	4.5
83.01397	5.1
85.02959	16.1
87.00883	15.7
87.05645	2.2
88.98824	3.8
89.02456	98.1
89.59563	1.6
95.01390	2.1
96.00952	3.6
99.00905	2.9
101.02462	45.1
101.03130	2.5
108.56579	1.8
111.00912	1.9
113.02457	18.6
119.03566	13.7
119.05048	29.4
120.03848	1.9
120.05407	1.7
125.02470	2.4
128.03529	2.6
129.10349	1.8
131.03526	49.4
131.04486	1.6
137.02426	2.0
137.06094	2.8
149.04572	47.2
155.08319	1.7
161.04561	3.9
163.07683	1.8
179.05705	2.5
191.05624	27.4
205.03491	2.0
205.68764	1.5
209.08040	2.4
215.01314	1.6
269.10309	4.6
299.11435	8.2
396.17813	5.7
431.15613	99.1
431.21439	5.0
432.15897	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	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01698	1.1
61.75715	0.8
68.96304	7.6
68.96713	2.0
71.01389	1.8
72.53866	0.7
101.02415	1.3
110.28182	0.8
127.28960	0.8
142.56146	0.8
158.90033	1.0
161.02446	5.9
161.04538	1.1
176.04807	6.4
179.03629	1.0
191.07124	4.6
194.05830	1.6
209.08195	11.5
210.08517	1.0
222.29695	0.8
242.48999	0.7
280.22238	0.7
351.61801	0.8
401.51935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.4
69.26645	4.8
71.01385	3.2
73.02961	1.3
83.01418	0.7
85.02973	2.1
89.02490	0.9
99.00896	0.7
101.02492	2.6
113.02505	1.9
161.02486	3.3
161.04529	3.1
165.05569	0.7
172.14055	0.6
176.04900	2.3
179.03496	4.2
185.99937	0.7
188.94536	0.6
194.05896	5.3
209.08224	12.6
210.08658	1.0
225.56317	0.6
323.15906	0.8
342.17804	0.7
349.11542	1.0
371.17136	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	431.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59579	2.5
55.01875	8.4
57.03451	6.5
58.00613	4.0
59.01386	100.0
66.87292	2.3
69.16688	17.7
71.01389	99.1
72.99302	6.5
73.02951	26.7
75.00865	5.1
83.01405	19.8
85.02961	43.1
87.00884	10.5
89.02457	56.1
95.01428	7.1
97.02946	5.1
99.00897	15.5
101.02456	98.1
102.02796	2.6
107.05055	5.1
113.02465	47.1
115.00375	2.7
119.03508	17.5
121.02983	14.0
127.00365	4.2
137.02519	3.4
143.03513	9.3
145.01434	11.2
147.34964	2.9
151.04083	3.6
159.03000	7.0
161.04578	37.5
179.05603	11.6
185.08282	2.6
268.03796	3.2
269.10349	50.2
270.10544	5.7
303.14505	9.1
367.17337	2.6
431.15005	34.8
432.15579	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	91.8
61.88483	6.3
69.25703	50.9
71.01395	60.6
83.05057	10.3
85.02987	8.9
89.02448	100.0
98.21853	15.2
101.02454	23.8
113.02488	28.3
119.03519	31.1
128.21268	6.4
143.03648	14.4
161.04553	18.4
164.92992	7.3
179.05592	47.9
184.69923	6.5
211.73242	6.7
240.97754	7.3
363.34119	8.4
431.19168	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86940	4.1
53.36650	4.5
57.03465	7.1
58.00604	5.3
58.16958	4.8
59.01386	100.0
65.03969	16.5
69.03442	4.5
69.51653	22.1
71.00993	4.6
71.01389	78.6
73.02950	14.8
85.02957	19.4
87.04540	11.9
89.02454	80.0
91.05548	18.9
93.03470	94.6
95.01456	4.4
101.02464	32.9
107.05054	7.6
109.04079	4.9
109.06631	4.5
113.02470	32.2
119.03546	24.1
119.05045	69.5
121.06640	10.2
123.50353	4.2
135.08208	4.4
137.06114	35.8
143.03554	4.0
145.06604	37.3
146.18538	4.1
161.04597	10.1
162.60364	4.1
163.07640	33.8
179.05620	8.6
182.19858	5.3
251.12825	6.7
269.13782	4.8
301.70865	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	431.2208
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.61270	0.2
56.73520	0.2
59.01379	0.4
63.64632	0.2
68.61887	0.2
69.13330	0.7
69.13744	1.2
73.03873	0.2
78.95911	55.7
96.96973	6.0
98.22577	0.5
140.11708	0.2
150.98038	1.9
152.99602	100.0
153.99953	1.4
171.00658	4.3
226.16783	0.2
268.03891	1.2
277.21652	0.6
292.69739	0.2
301.44492	0.2
371.26010	0.6
413.27106	0.4
431.09683	1.4
431.22034	5.0
431.28015	2.3
432.22278	0.7
432.28110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
60.61793	0.3
62.96416	0.4
69.18370	1.1
69.18793	1.6
74.34299	0.3
78.95914	72.8
93.95229	0.4
96.96983	5.5
98.23470	0.3
134.42639	0.3
150.98048	1.8
152.99608	100.0
153.99928	1.6
157.42886	0.4
171.00665	3.4
254.62927	0.4
264.71524	0.4
277.21732	1.3
314.63235	0.4
326.39197	0.4
431.22092	9.2
432.22440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44018	0.5
54.26001	0.5
55.01869	0.8
59.01387	100.0
60.01708	1.1
63.61214	0.6
69.07429	5.0
69.76666	0.6
71.01389	9.4
73.02972	1.4
82.80087	0.6
83.01403	0.8
85.02959	2.6
87.00882	0.5
89.02456	8.4
95.01418	1.1
101.02453	5.5
113.02455	4.5
116.24274	0.5
119.03504	3.2
145.01445	0.7
149.87563	0.5
161.04587	1.7
175.08376	0.5
179.05721	1.6
228.89774	0.6
269.17731	0.6
371.21078	1.6
431.23206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10320	0.6
59.01386	100.0
60.01737	1.3
69.27680	1.3
69.28090	3.6
71.01394	4.4
72.89030	0.6
73.02956	0.9
74.76582	0.6
75.09805	0.6
85.02969	1.4
87.00015	0.6
89.02460	5.5
90.57347	0.5
98.21828	1.1
101.02458	3.2
113.02498	2.5
119.03549	2.3
124.36434	0.5
135.55389	0.6
145.01476	0.8
161.04662	1.3
179.05646	0.8
212.68114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03454	0.9
59.01387	100.0
60.01731	1.3
61.98832	5.5
69.27108	6.3
71.01392	13.5
73.02954	3.8
83.01390	1.7
83.43472	0.7
85.02977	4.3
89.02451	4.7
99.00906	2.0
101.02454	8.8
107.01408	1.1
113.02453	5.2
117.03457	0.8
119.03539	1.3
130.08708	0.9
149.02417	1.1
151.00401	2.3
159.03046	1.1
161.04581	11.1
209.15558	1.5
215.50032	0.7
239.03523	1.2
240.04263	2.4
253.26718	0.8
268.03802	42.9
269.04462	17.2
270.04910	1.7
360.60641	1.0
371.20767	18.1
372.20932	2.1
431.09802	24.3
431.22382	1.6
432.10138	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	431.3171
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
54.24872	0.6
61.98826	1.9
69.84830	0.7
70.61797	1.7
71.01380	0.6
71.05022	1.1
78.95884	0.8
116.86910	0.7
117.45865	0.5
119.04989	0.8
137.06100	0.7
144.32867	0.6
145.02933	2.3
162.83896	0.8
175.23833	0.6
268.03784	7.1
269.04572	2.9
279.90771	0.7
359.29660	1.4
369.27457	0.8
371.29767	1.1
387.32831	6.7
388.33328	1.0
395.15955	0.9
397.27853	1.4
413.30881	3.4
431.09778	5.4
431.31741	100.0
432.10159	1.1
432.26587	1.3
432.32074	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	431.3169
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
59.01367	1.5
61.98828	0.8
71.01385	11.8
71.05038	1.7
71.29654	1.3
80.02676	1.1
83.05003	1.2
96.96017	2.5
116.92904	0.9
123.08164	2.8
125.87360	2.1
127.94441	0.7
135.08224	0.7
157.86343	5.3
173.86629	0.6
219.52092	0.8
268.03793	10.6
269.04514	3.9
331.26297	1.1
343.26505	1.2
355.26468	1.3
357.27982	7.7
358.28326	0.8
359.29553	39.3
360.29971	4.6
373.27518	2.9
387.32721	1.3
391.28592	22.4
392.28864	3.5
393.06824	0.8
403.28757	1.3
431.09653	7.3
431.31705	100.0
432.10272	0.8
432.26614	1.3
432.32062	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	432.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84466	20.0
59.01376	28.6
61.12228	18.9
61.98854	22.5
69.42295	18.8
71.29442	26.5
72.00910	30.4
75.00859	17.9
83.44730	24.1
91.81042	18.4
114.00160	24.0
147.04501	40.3
164.07152	100.0
165.07600	22.2
432.09872	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
57.03458	7.1
58.00608	3.3
59.01385	100.0
60.01719	6.1
61.98817	4.6
65.03973	10.5
67.01865	3.6
69.03457	3.6
71.01395	72.9
71.27599	5.7
72.01720	4.1
72.99299	5.0
73.02956	12.9
75.71445	3.2
81.03493	3.4
83.01416	6.6
83.05051	3.5
85.02972	18.0
86.03304	3.2
87.00898	6.1
87.04523	7.6
89.02453	69.5
90.02808	5.4
91.05541	6.0
93.03467	30.1
94.03822	12.8
95.01437	3.6
95.05032	4.0
97.06625	3.9
101.02464	36.4
107.05028	3.9
109.06587	4.4
113.02460	22.5
114.02752	3.7
119.03555	23.9
119.05026	35.6
120.03924	3.3
120.05406	15.5
121.06622	6.4
125.06143	4.2
137.06129	9.7
138.05583	4.6
138.06502	5.6
143.03514	4.8
143.07159	3.8
145.06610	18.8
146.06966	14.1
147.02931	3.7
161.04597	7.5
163.07686	13.9
164.08005	9.4
166.72240	3.6
167.00052	3.7
168.03743	3.3
179.05640	5.3
182.02339	3.8
191.05618	7.2
197.04654	4.3
213.05673	8.2
224.07133	3.9
225.05569	5.1
226.06377	5.5
243.10365	3.5
258.11356	29.8
261.08032	6.6
261.58249	3.5
262.08734	5.2
289.77078	3.1
360.14505	10.9
398.12354	3.2
432.13010	22.4
433.17050	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	432.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
57.03458	7.1
58.00608	3.3
59.01385	100.0
60.01719	6.1
61.98817	4.6
65.03973	10.5
67.01865	3.6
69.03457	3.6
71.01395	72.9
71.27599	5.7
72.01720	4.1
72.99299	5.0
73.02956	12.9
75.71445	3.2
81.03493	3.4
83.01416	6.6
83.05051	3.5
85.02972	18.0
86.03304	3.2
87.00898	6.1
87.04523	7.6
89.02453	69.5
90.02808	5.4
91.05541	6.0
93.03467	30.1
94.03822	12.8
95.01437	3.6
95.05032	4.0
97.06625	3.9
101.02464	36.4
107.05028	3.9
109.06587	4.4
113.02460	22.5
114.02752	3.7
119.03555	23.9
119.05026	35.6
120.03924	3.3
120.05406	15.5
121.06622	6.4
125.06143	4.2
137.06129	9.7
138.05583	4.6
138.06502	5.6
143.03514	4.8
143.07159	3.8
145.06610	18.8
146.06966	14.1
147.02931	3.7
161.04597	7.5
163.07686	13.9
164.08005	9.4
166.72240	3.6
167.00052	3.7
168.03743	3.3
179.05640	5.3
182.02339	3.8
191.05618	7.2
197.04654	4.3
213.05673	8.2
224.07133	3.9
225.05569	5.1
226.06377	5.5
243.10365	3.5
258.11356	29.8
261.08032	6.6
261.58249	3.5
262.08734	5.2
289.77078	3.1
360.14505	10.9
398.12354	3.2
432.13010	22.4
433.17050	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	433.1146
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
53.40756	0.8
55.01884	1.2
56.37138	0.8
57.03435	1.5
59.01385	78.3
60.92599	0.9
63.02405	2.9
65.00328	10.0
66.64253	1.0
67.01878	1.2
67.25267	0.8
71.01387	24.6
71.26891	0.9
71.27287	1.2
72.99326	1.2
73.02950	9.2
79.06279	0.9
83.01393	9.9
83.05022	0.9
85.02972	6.5
87.00888	2.1
87.75559	0.8
89.02454	18.6
93.03477	5.3
95.01422	2.3
97.06609	1.9
99.00890	1.9
101.02454	16.8
107.01398	17.8
111.00843	1.0
113.02463	10.8
117.03493	2.1
119.03566	10.0
119.05037	38.6
125.02496	4.9
131.03578	1.1
135.00957	1.1
143.03464	1.5
143.05051	1.6
145.02942	4.3
149.04568	1.2
151.00388	60.9
152.00735	1.2
161.04633	4.8
165.01973	5.6
169.01459	1.8
177.01970	4.1
177.88794	0.8
179.05656	3.1
185.06094	2.1
187.04100	2.7
191.05626	1.8
227.07185	4.2
229.18031	1.1
268.03949	1.5
269.04129	1.6
270.04410	2.7
271.06143	100.0
271.19092	4.9
272.06491	10.1
286.66263	1.0
313.05911	3.0
373.22281	3.0
391.23413	2.7
433.11172	10.2
433.24567	6.3
436.73734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65821	0.9
59.01389	27.7
70.67268	2.8
106.31865	0.9
107.74810	0.9
108.02212	1.1
109.02979	4.5
109.76279	1.1
110.29320	0.9
112.71243	0.9
120.02140	1.8
123.04559	1.8
138.03261	1.2
148.01683	27.6
153.01988	1.6
153.05594	27.0
163.04028	32.6
164.04405	2.0
166.02739	2.2
178.02705	1.2
179.03554	1.4
181.05095	47.7
182.05437	1.9
193.05006	2.6
196.03772	3.2
197.04802	1.1
211.06145	100.0
212.06421	6.8
218.35754	0.9
223.06325	1.2
313.56796	0.9
377.90372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.2
57.03450	2.1
57.44151	1.2
59.01385	84.4
60.01699	1.4
63.12563	1.4
63.34446	1.3
67.01862	2.5
71.01036	2.0
71.01389	22.7
72.99323	1.6
73.02940	4.7
75.00879	1.4
77.49020	1.2
78.28326	1.2
81.72657	1.4
83.01377	4.5
85.02963	7.2
87.00872	2.4
87.98044	1.3
89.02452	16.4
95.01398	7.2
97.02935	1.5
98.22550	3.5
99.00874	3.1
101.02452	14.1
103.41763	1.4
107.05038	4.1
111.00880	4.7
113.02458	9.7
113.99603	1.5
119.03517	7.1
119.05080	1.4
123.00900	7.2
124.01660	4.9
125.02424	4.2
127.00379	5.1
135.04509	3.2
136.98822	3.3
137.02473	2.8
138.03242	4.4
139.00398	22.7
139.04030	9.8
145.02945	5.2
147.04543	4.7
148.01711	2.1
151.00272	2.3
151.03970	1.7
152.01099	2.1
153.01924	5.6
153.05565	3.3
154.02802	2.5
159.04556	2.7
161.02477	2.8
161.04597	5.3
162.03218	6.2
163.04036	5.0
166.02687	4.1
167.03555	2.8
174.03256	1.6
175.02478	1.5
175.03998	4.5
176.01176	3.9
177.01938	2.2
177.05548	9.2
178.02719	3.3
178.06424	1.9
179.05591	2.9
181.05075	5.0
183.08553	1.5
189.01950	5.9
190.02693	2.8
191.03548	4.8
192.04294	3.6
192.07741	1.5
193.05113	5.0
203.03539	7.6
204.04214	5.5
205.04973	4.1
218.05872	12.2
219.06624	3.0
225.11497	1.5
235.05989	1.5
249.05956	2.1
254.81583	1.8
257.04639	1.5
268.03802	3.0
269.04315	5.0
270.04364	4.0
271.19229	2.4
281.04700	1.6
284.06824	1.7
315.08926	1.9
323.05948	1.4
325.07248	1.9
338.08173	2.1
339.08804	2.6
343.08243	11.8
355.08307	5.4
358.10638	22.0
359.10989	3.1
370.10495	2.1
373.12973	76.3
374.13376	10.0
385.13248	7.0
388.07932	1.8
397.26547	1.5
403.10217	11.1
403.14841	14.8
404.14703	2.6
418.12747	17.6
432.63196	3.0
433.10522	4.5
433.15103	100.0
433.24634	4.8
434.15500	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	433.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09534	2.0
59.01097	3.5
59.01384	64.2
70.58915	4.3
70.59258	3.3
71.01398	14.0
73.02955	3.1
75.50064	1.9
75.80309	2.0
79.55515	1.9
83.01398	3.6
85.02970	5.0
87.00890	2.3
89.02454	6.2
95.01402	18.9
101.02443	9.2
109.02929	2.8
111.00880	3.3
113.02459	5.1
119.03495	2.3
123.00878	13.8
124.01682	3.5
127.12486	2.1
135.04561	2.2
137.02484	3.2
138.03177	4.9
139.00377	16.2
139.04010	6.3
148.01595	2.2
151.00363	3.0
152.01147	2.3
153.01961	2.6
153.05609	3.3
161.02492	3.1
161.04543	2.4
162.03194	5.5
163.03957	2.8
166.02782	4.6
167.03574	2.4
177.01889	4.3
177.05562	6.0
178.02774	13.4
181.05087	8.0
191.03569	5.6
192.04295	7.2
193.05084	20.2
194.05431	2.2
195.41690	2.4
204.04349	3.0
205.05055	2.6
207.06596	7.2
218.05949	6.9
268.03772	3.2
269.04291	3.7
343.08212	5.8
348.48724	2.1
355.08298	3.5
358.10733	11.1
373.09357	4.1
373.13034	63.6
374.13315	4.9
385.13266	3.1
391.23312	3.0
403.10297	12.3
403.15100	13.0
418.12793	25.4
419.13086	2.9
433.15121	100.0
433.20895	5.0
434.15353	12.6
454.69684	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	433.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	99.5
59.82212	8.1
61.98827	17.2
68.99822	16.7
69.19013	70.7
71.01376	37.3
78.95874	9.3
85.02974	21.3
89.02457	15.3
101.02487	20.7
113.02527	16.2
119.03560	15.7
123.00906	8.6
127.56533	8.2
175.67436	8.8
254.47482	10.3
279.07779	10.5
281.04398	10.1
281.09503	10.3
309.08810	39.9
310.09308	9.7
337.08420	13.7
341.11310	20.0
369.10892	36.1
401.13583	15.1
433.16040	100.0
433.24503	21.6
434.16385	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	433.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46709	5.8
59.01388	100.0
69.15166	53.1
71.01382	15.0
85.02953	10.0
89.02465	10.3
95.01402	11.1
101.02496	9.4
119.03487	6.5
124.01703	10.0
139.00423	9.8
153.58966	6.3
169.23950	6.7
193.05084	10.1
222.10149	6.1
224.92375	7.1
229.39996	7.4
260.74899	6.7
373.12769	30.0
403.14346	11.8
403.19531	6.5
418.12531	11.9
433.15268	41.4
456.00684	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.6
57.03455	9.9
57.47133	0.6
59.01386	100.0
60.01738	0.7
61.98824	0.9
67.01904	1.0
69.03464	0.8
69.35041	2.7
69.35445	1.7
71.01393	8.9
71.05044	0.7
72.99319	1.6
73.02959	3.7
75.00886	3.2
77.96961	0.6
81.03451	1.0
83.01405	3.5
83.05040	5.5
85.02964	6.5
87.00896	3.0
89.02452	3.9
93.03498	1.0
95.05032	1.4
97.06615	3.0
99.00916	2.8
99.04531	15.9
101.02451	3.9
107.01382	1.0
107.05051	2.8
109.02954	0.9
109.06613	2.2
110.03758	2.4
111.00905	6.5
113.02479	3.5
117.01954	0.7
118.29830	0.7
119.03553	1.2
119.05054	2.1
121.02968	0.7
121.06615	1.4
121.93970	0.7
123.08169	12.4
125.06104	22.6
129.01961	18.9
137.09767	0.8
141.01987	2.0
147.03017	39.6
149.06113	1.8
151.00362	4.6
161.04585	0.7
163.11334	2.6
165.09233	0.9
167.07178	3.2
173.04623	1.0
185.08189	4.8
189.04123	1.2
191.05615	1.6
191.07222	0.7
205.06554	1.1
207.10255	2.5
210.07776	1.1
223.13400	5.0
225.11382	4.4
241.14478	17.9
243.12396	37.6
244.12752	2.2
267.12424	2.1
271.06168	5.1
272.06546	0.8
285.13455	21.8
286.13760	1.7
303.14539	29.9
304.14886	2.4
389.18137	1.2
397.14651	0.7
415.16043	8.5
416.16348	0.9
433.17114	38.9
434.17422	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57438	0.7
53.17039	0.8
53.89500	0.7
55.94954	0.8
59.01387	100.0
60.01720	1.0
64.65038	0.7
69.09393	1.8
69.09785	7.5
71.01381	3.5
71.73976	0.8
85.02957	1.1
89.02475	2.5
97.45542	0.7
98.22519	1.5
99.04523	3.4
101.02438	1.7
102.80904	0.8
113.02477	1.2
116.92885	3.2
119.03462	1.3
149.11996	0.8
163.04016	3.2
178.06412	4.5
181.05116	1.8
184.86644	0.9
191.05629	2.3
193.08690	2.0
196.07428	2.9
211.09769	11.7
212.10185	0.9
212.55502	0.7
271.19171	1.3
315.91199	0.8
325.10977	1.3
433.20822	1.9
434.20688	1.0
444.32660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
57.03454	2.8
58.00601	1.1
59.01385	100.0
66.92139	0.6
67.18679	0.6
71.01388	29.2
72.99321	2.1
73.02950	4.3
73.13371	0.6
75.00878	6.3
78.98103	0.6
83.01408	2.8
83.04603	0.7
83.05038	3.1
85.02951	7.0
87.00883	3.3
89.02457	23.8
95.01414	1.8
98.22639	1.3
99.00900	1.9
101.02453	17.6
109.06612	1.5
111.00891	1.2
111.04552	4.3
113.02470	10.9
113.03184	1.0
119.03536	8.9
123.08187	1.6
129.01987	1.6
131.03542	1.1
143.03526	1.8
147.03027	6.4
149.04668	1.6
159.03027	0.9
161.04547	7.0
163.11339	2.1
165.04089	2.8
165.09290	2.9
175.35526	0.7
178.67355	0.7
179.05618	3.4
181.12347	0.9
193.30081	0.7
197.11882	1.5
217.86656	0.6
223.13536	2.5
225.11304	10.0
225.13141	0.7
267.09891	0.7
267.12619	1.0
270.04697	0.8
271.19391	1.7
285.13452	16.3
286.13910	1.5
415.16354	1.5
433.11301	1.9
433.17450	29.8
433.24533	6.5
434.17825	3.9
434.24918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.8
59.01384	100.0
68.98656	33.7
68.99056	6.4
71.01384	40.2
73.02956	7.3
85.02966	11.4
87.00890	4.1
89.02448	36.4
93.03465	3.9
98.22544	7.9
99.92606	7.7
101.02435	27.4
113.02474	13.5
115.92092	9.2
116.92876	54.3
117.92960	3.7
119.03553	15.7
123.08191	4.9
125.06037	9.2
129.01933	5.6
134.59561	3.3
147.03012	17.5
161.04596	5.5
179.05672	4.6
184.95097	3.4
222.67000	3.7
243.12410	14.6
285.13489	8.4
303.14340	4.7
315.17999	8.4
433.04419	4.5
433.17065	13.7
434.17871	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	433.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00137	0.4
54.05450	0.4
57.03441	0.4
59.01385	48.1
60.01725	0.5
61.98823	0.5
71.01395	6.2
71.28531	0.6
72.99302	0.6
73.02960	2.2
74.04292	0.3
75.00850	0.6
77.16692	0.4
83.01390	1.5
83.63701	0.4
85.02947	2.9
87.00913	0.9
87.04523	100.0
88.04851	2.1
89.02454	2.5
93.03516	0.6
99.00897	1.0
101.02451	4.0
111.08176	1.5
113.02441	2.9
119.03526	1.6
124.08846	0.3
125.02506	0.5
129.01973	0.5
135.55251	0.3
143.03503	0.7
146.11623	0.3
151.00421	0.5
159.10306	0.8
161.04553	1.2
215.11938	0.6
220.38828	0.3
222.97963	0.4
225.10272	0.5
227.16518	0.5
268.03842	0.6
269.04318	0.7
270.04428	1.4
271.10931	1.0
271.19183	0.7
284.03320	0.4
285.04059	1.6
286.04407	0.7
303.14532	3.7
309.08789	0.5
315.09955	1.3
345.15826	0.6
358.62137	0.4
373.22272	0.9
391.23553	1.2
425.27719	0.4
431.59119	0.4
433.10114	1.8
433.24524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
68.47671	0.2
69.13196	1.3
69.13618	1.0
72.11066	0.3
75.57606	0.3
78.95915	56.1
82.64180	0.2
96.96976	6.6
102.37025	0.3
150.98053	2.0
152.99611	100.0
153.99910	1.4
171.00667	3.7
207.72643	0.3
279.23264	1.1
383.18240	0.3
387.03320	0.3
433.23630	5.8
434.23895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2364
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.54805	0.3
59.56070	0.3
69.02460	1.2
69.02883	1.7
69.36483	0.3
78.95911	61.0
79.65438	0.3
81.74219	0.4
89.11116	0.3
93.55010	0.3
96.96973	5.3
105.92502	0.3
107.16618	0.3
112.32800	0.3
112.37260	0.3
117.46345	0.3
137.23100	0.3
142.07085	0.3
147.96063	0.3
149.46686	0.4
150.17735	0.3
150.98022	1.6
152.99603	100.0
153.40048	0.3
153.99948	1.3
156.28397	0.3
171.00670	2.6
279.23288	1.3
280.78848	0.3
285.40500	0.3
339.48624	0.3
433.23642	10.7
433.29520	0.6
434.24088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55735	0.8
55.01886	3.2
55.82845	0.8
57.03455	3.0
58.00610	4.3
59.01387	100.0
69.03466	1.6
69.43233	4.9
71.01392	93.0
72.01746	1.1
72.99324	5.0
73.02961	9.8
74.81369	0.8
83.01406	5.7
83.05070	1.8
84.02186	0.8
85.02962	24.0
87.00890	5.4
87.04529	5.8
89.02458	77.1
90.02793	1.3
95.01389	6.2
99.00892	4.2
101.02455	55.0
102.02843	0.9
113.02467	32.2
119.03522	38.0
125.02483	1.4
131.03561	3.5
135.04489	1.1
141.09134	0.8
143.03548	7.3
149.04633	2.4
159.03032	3.1
159.10303	6.0
161.04590	20.8
179.05624	13.9
183.10373	2.2
191.05647	1.1
201.15033	1.8
253.14551	1.7
271.19244	7.1
321.15622	5.0
345.15781	1.1
345.19476	2.7
363.20465	3.2
387.20309	5.3
415.23813	1.1
433.24768	38.2
434.24896	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	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03457	3.2
58.00599	3.8
59.01386	100.0
60.01725	1.1
65.00362	1.4
71.01390	77.1
72.01719	1.6
72.99324	4.6
73.02959	11.2
83.01394	8.3
85.02958	21.3
87.00885	5.1
87.04531	6.5
89.02454	70.2
93.03499	1.7
95.01408	5.2
99.00919	4.3
101.02457	50.9
107.01418	1.1
113.02466	32.9
114.02851	1.3
116.65646	0.9
119.03523	33.4
119.05079	3.0
123.00924	2.0
125.02521	1.8
131.03551	3.4
135.04549	1.4
138.03302	1.0
139.00401	5.4
139.04070	2.3
143.03482	5.9
149.04619	2.9
151.00374	5.6
153.02060	1.4
157.05913	0.9
159.03075	1.8
159.10310	5.7
161.04584	22.5
161.05890	1.7
162.03326	1.4
165.01974	1.0
166.02817	1.7
177.05644	1.8
179.05617	12.0
183.14061	1.5
193.05026	1.1
201.15045	2.0
203.03665	1.5
204.04353	1.2
218.05870	1.9
253.14624	1.3
271.06140	7.7
271.19077	7.9
321.15530	6.0
343.08401	2.1
345.19495	3.7
358.10815	2.7
363.20572	4.2
373.13013	10.7
374.13596	2.2
385.13242	1.3
403.09921	1.3
403.14566	2.1
418.13174	2.6
433.15930	13.4
433.24802	40.1
434.15729	2.0
434.25064	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	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12474	0.8
51.57873	1.0
55.01886	5.3
57.03451	6.7
58.00604	1.8
59.01386	100.0
60.01712	1.3
61.98842	2.5
69.03468	1.8
71.01389	93.0
72.01704	1.6
72.99314	2.3
73.02948	21.7
74.61839	0.9
83.01397	8.7
83.05087	1.1
85.02962	29.1
87.00896	4.3
89.02454	53.2
95.01417	5.9
97.02978	2.3
99.00920	6.9
99.95116	0.8
101.02454	56.2
102.02778	1.5
103.04041	1.8
113.02464	36.7
119.03523	23.1
119.04953	1.1
125.02470	2.1
129.02010	1.4
131.03511	3.4
143.03511	7.1
147.11827	4.1
149.04596	1.0
151.00407	2.2
159.03038	4.4
161.04587	29.5
179.05629	8.3
191.26561	1.0
240.79553	1.0
268.03952	1.6
269.04233	1.5
270.04568	3.3
271.06067	3.8
271.19220	14.2
272.19327	1.0
334.46033	1.0
427.77469	0.9
432.70914	0.9
433.10699	3.1
433.24463	27.6
434.24814	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
56.46146	1.2
57.03450	4.3
57.55560	1.3
58.00583	3.8
59.01385	100.0
60.01723	1.9
67.05256	1.5
70.30856	4.6
71.01389	85.7
72.01730	1.4
72.99314	5.6
73.02955	13.6
83.01398	8.6
85.02964	30.2
87.00896	5.6
87.04520	4.7
89.02453	66.2
95.01406	6.2
99.00899	6.4
99.04518	1.7
99.12897	1.3
101.02455	51.2
113.02458	37.1
119.03511	32.1
125.02467	2.6
131.03520	3.0
131.98477	1.4
143.03505	7.1
147.11821	1.6
149.04605	2.0
159.03024	4.0
161.04561	23.7
179.05652	12.9
205.71922	1.3
267.07324	1.4
271.02393	2.2
271.19269	8.5
272.19379	1.7
300.02817	4.8
301.03616	2.0
356.00531	1.4
415.23108	1.9
433.07883	2.2
433.15417	3.1
433.24521	46.0
434.24673	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	433.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
57.03455	7.8
58.00585	3.4
59.01383	91.8
60.01709	1.0
69.03480	0.9
69.05900	7.6
71.01390	100.0
71.05025	1.0
72.01703	1.8
72.99300	3.4
73.02956	29.8
75.00853	1.6
75.78127	0.8
83.01404	10.7
83.05016	1.3
85.02958	41.4
87.00903	4.7
87.04507	5.2
89.02454	50.4
95.01382	9.6
97.02934	1.3
99.00896	9.1
101.02455	53.8
102.02813	0.9
111.00925	1.4
111.08129	1.3
113.02460	39.8
114.02780	1.1
119.03515	24.7
123.08169	0.9
123.98292	0.9
125.02422	2.0
125.06052	0.9
129.01962	1.4
131.03506	2.4
137.09772	2.0
143.03496	6.1
147.11804	2.3
149.04543	2.0
159.02992	6.4
161.04576	32.7
173.33333	0.8
179.05640	8.0
181.12331	2.6
190.39491	0.8
201.15106	1.2
201.17674	0.8
213.92052	1.1
225.11421	1.4
233.10327	1.8
253.18233	1.1
271.16202	1.2
271.19165	17.8
272.19659	0.9
285.13406	3.0
433.24496	64.1
434.24695	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	433.2964
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
57.03449	1.5
59.01392	8.7
69.03471	5.7
69.79841	1.4
69.80264	0.8
71.05005	0.7
78.52091	0.4
78.95910	1.9
130.10547	0.5
135.41225	0.4
152.99644	2.3
154.44347	0.4
154.99962	0.5
231.12454	0.5
291.07904	0.5
313.25504	1.2
328.42300	0.4
352.68735	0.6
355.22281	0.3
355.26459	11.7
356.26825	1.6
357.24457	1.5
373.27509	27.2
374.27869	3.2
389.30554	6.6
390.31033	0.8
399.25638	0.6
415.28616	24.4
416.28894	3.7
417.26556	1.6
433.29636	100.0
434.29938	14.1
434.35876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01297	0.5
54.18613	0.5
57.03446	1.1
59.01388	8.8
60.99300	2.0
69.03447	2.1
70.89745	0.9
71.01382	0.5
74.27180	0.6
78.95918	3.3
80.96349	0.6
93.01850	0.5
96.96976	0.9
127.28059	0.6
141.27054	0.5
147.55527	0.7
152.99582	3.8
153.99901	1.2
155.00056	1.4
221.84082	0.5
313.25452	0.8
327.27002	1.3
353.57590	0.6
355.26291	1.7
357.24405	4.8
371.22089	1.3
373.27472	8.8
374.27530	0.7
380.29675	0.6
389.30615	4.7
390.30954	0.8
415.28403	3.9
417.26782	0.9
433.29596	100.0
434.29953	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	434.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	75.1
60.12076	8.7
61.98834	100.0
71.01388	46.0
71.26250	9.3
71.26630	16.5
72.32304	9.0
73.02932	13.9
75.00893	11.2
79.66169	8.4
85.02975	25.5
87.00855	10.4
89.02465	21.8
101.02452	31.5
103.14005	10.5
113.02451	19.1
119.03489	10.4
121.02975	45.6
123.04546	11.7
159.67422	9.8
172.10979	14.4
180.43286	9.1
181.15471	9.8
183.87787	9.4
205.97624	8.2
223.55846	8.9
233.96361	9.8
238.84402	10.0
249.06136	39.7
371.09821	64.5
417.17780	11.5
418.49103	10.9
434.20404	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	88.8
60.01706	2.7
61.98837	100.0
71.01388	22.2
71.26777	1.8
71.27155	1.6
72.01731	3.1
72.99303	1.9
73.02946	4.7
83.01385	2.8
85.02950	7.0
87.00878	1.6
89.02464	12.5
90.02808	2.5
95.01393	1.7
101.02460	13.8
102.02752	2.6
113.02460	8.4
114.02761	2.4
119.03495	5.1
143.03528	1.6
158.21930	1.7
161.04585	6.0
162.04858	2.4
179.05698	1.9
183.10326	2.1
195.86559	1.5
249.06117	1.8
325.93677	1.5
434.24863	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	434.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.2
58.62175	1.2
59.01385	34.6
60.01727	1.2
71.01389	9.9
71.02520	3.3
72.00871	2.7
72.01736	1.3
72.99316	1.2
73.02959	3.2
73.04079	11.8
73.98368	1.1
76.86815	1.3
83.01352	1.2
85.02956	4.4
89.02463	6.2
91.05532	2.7
94.02348	1.2
95.02499	1.3
96.00925	5.5
98.02489	4.2
98.11189	1.1
99.00953	1.2
99.02023	5.8
99.04539	1.8
101.02454	6.1
113.02464	4.3
113.03581	12.7
115.08775	1.5
119.03527	2.4
119.65224	1.1
124.07720	2.0
127.08723	1.3
129.01939	1.4
130.06253	13.2
140.07164	1.1
141.59410	1.2
147.02992	2.0
147.04535	10.0
151.08842	3.2
152.07181	2.4
153.06767	1.8
154.09915	3.5
155.08267	2.5
161.04584	2.1
164.07170	17.5
165.10396	1.7
172.10933	41.5
173.04622	1.3
175.08804	1.9
177.10345	5.0
179.03505	1.5
182.09364	2.4
188.55005	1.4
191.03644	1.3
191.05521	1.6
194.09482	1.6
203.08311	2.8
221.09308	4.8
227.11501	1.6
243.12378	1.9
244.12755	2.8
276.17310	3.3
286.15823	6.2
312.17297	2.1
317.19809	2.2
331.17746	2.4
372.20303	2.0
387.19949	1.7
400.15125	8.7
401.16016	1.7
405.15347	1.4
417.17780	23.4
418.18076	3.0
434.20557	100.0
435.21155	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	434.2191
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
57.03473	1.7
58.02983	12.8
58.53696	1.8
59.01387	33.1
61.98824	1.4
62.85054	1.5
70.02980	4.8
70.54415	2.6
71.01376	5.4
72.00907	5.7
85.02966	2.0
87.04524	4.0
89.02483	1.6
89.32139	1.5
101.02423	2.6
113.02505	2.1
122.56139	1.4
135.73071	1.4
147.04541	39.0
148.04906	2.4
164.07179	100.0
165.07509	3.7
206.08238	39.1
207.08603	2.0
220.75215	1.6
225.15021	3.3
227.12953	5.0
356.18625	2.2
372.21851	2.6
374.19739	7.6
375.20306	1.7
378.76920	2.0
416.20895	7.3
434.21814	81.5
435.22012	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	435.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20941	5.8
58.88903	5.4
59.01392	20.3
61.98828	13.0
70.45596	17.2
71.01389	15.4
72.31191	5.3
73.02955	8.9
87.00909	9.8
87.45613	5.8
89.02448	11.3
119.03503	5.1
127.57731	5.5
130.27580	6.4
133.02953	5.4
136.98457	6.1
149.02483	27.3
150.03230	40.2
164.04840	14.6
165.05576	100.0
179.21980	5.6
180.04323	8.6
195.06664	28.0
275.81665	6.5
327.10883	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	435.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69420	1.4
59.01386	100.0
61.98824	6.1
70.42741	4.4
71.01376	1.9
78.75272	1.4
85.02950	3.2
93.03474	2.8
130.81947	1.6
137.02463	2.2
139.41478	1.6
150.03194	3.0
165.01906	9.2
165.05617	7.7
168.99901	3.5
170.99747	2.1
173.01009	2.4
175.02504	6.5
180.04344	10.5
191.05652	12.2
195.01535	5.4
195.06635	12.2
201.00458	7.1
213.07710	10.9
219.01544	15.8
243.01456	3.7
255.03596	2.6
273.04706	20.8
274.04797	2.2
289.01962	3.3
375.05826	19.3
376.05954	2.6
393.06711	6.6
435.07745	8.3
436.08041	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41094	71.7
59.01371	90.0
62.49977	93.8
89.08700	75.3
113.50447	76.4
130.86588	72.7
132.89194	82.3
177.69940	74.6
229.46335	100.0
352.84796	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71356	1.0
55.01894	6.2
57.03447	2.4
59.01384	88.5
63.51686	1.0
65.89698	1.0
69.16337	5.9
69.16746	2.5
70.55807	1.1
71.01389	6.4
73.02930	1.3
75.00871	4.9
84.09254	1.2
85.02981	6.2
87.42214	1.1
88.32758	1.1
89.02460	6.4
99.00898	1.4
99.04541	2.7
101.02431	5.9
102.22554	1.1
107.53554	1.3
113.02464	2.0
119.03484	2.5
129.01979	2.3
147.03017	5.9
162.32251	1.3
165.04053	9.1
165.12949	1.3
167.03490	2.2
207.13936	2.3
209.11856	11.0
225.14943	3.8
227.12915	45.0
228.13324	3.3
235.08607	1.5
251.12909	1.6
269.14005	11.4
273.07681	3.6
287.15039	100.0
288.15298	8.6
435.18661	45.6
436.18777	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01712	1.0
64.74466	0.6
68.85660	0.6
69.30618	3.8
71.01384	4.6
73.02939	0.8
83.01379	0.8
85.02988	1.6
89.02441	3.0
93.03456	0.6
95.28448	0.6
98.22563	1.3
99.00903	0.7
101.02462	3.1
111.08263	0.7
113.02512	1.5
119.03548	1.1
161.04622	1.4
165.01994	1.7
169.36877	0.6
177.47890	0.7
195.06693	1.3
225.07867	0.7
227.13120	0.7
270.04483	1.8
271.04834	1.0
272.05124	1.5
287.14938	0.8
333.19379	2.1
402.38306	0.6
405.49170	0.7
435.11017	5.2
435.25296	1.1
439.01645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01388	16.6
69.12833	2.0
71.01403	1.3
73.02949	0.5
75.00863	0.3
83.01427	0.3
85.02947	0.7
87.04527	100.0
88.04861	2.2
97.02915	0.2
98.21809	0.4
101.02459	0.8
103.04021	14.4
113.02454	0.6
114.60976	0.3
160.17580	0.3
161.04590	0.4
161.11923	0.3
177.64108	0.3
246.08418	0.3
285.04169	0.3
305.16238	1.2
331.01343	0.2
435.07294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2757
Annotation	Lancifodilactone F
Peak:m/z	Relative Intensity
57.03431	0.7
59.01143	0.5
59.01386	5.8
60.17591	0.4
61.98798	0.4
64.27060	0.4
69.09026	3.6
98.22534	0.7
155.93636	0.4
183.45012	0.4
313.25336	2.1
331.26456	3.4
357.24289	1.4
373.27475	26.9
373.31198	1.0
374.27893	3.4
391.28558	22.8
392.28958	3.5
402.98846	0.4
405.26425	0.8
417.26443	5.0
418.26559	0.9
435.27490	100.0
436.27866	14.3
436.33939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	68.7
69.34280	28.1
71.01392	61.9
73.02927	8.1
85.02966	10.1
87.00877	6.4
89.02454	91.3
101.02450	40.8
110.02486	4.9
113.02457	14.4
119.03474	5.1
131.03526	39.1
149.03378	5.3
149.04578	100.0
179.05598	5.6
191.05655	24.7
197.36668	4.8
393.17853	43.6
437.23975	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	437.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	5.8
61.46877	0.6
61.98821	0.8
65.00332	1.3
70.78882	1.4
74.54143	0.6
80.60750	0.7
83.01385	1.2
85.00383	0.6
87.04477	1.0
104.20493	0.7
107.01382	1.0
109.31851	0.7
110.00101	0.9
114.62716	0.7
125.02429	0.8
133.02968	2.1
151.00385	2.8
153.01950	2.1
175.04027	1.0
199.04036	1.9
227.03574	1.2
243.02995	0.8
249.76027	0.8
255.03029	7.9
256.03799	20.7
257.04239	1.9
283.02502	8.2
283.05524	1.0
284.03287	54.1
285.04059	71.6
286.04477	6.1
293.04584	5.2
307.06146	10.4
308.06448	1.4
309.04120	2.2
335.05518	3.8
351.05219	0.8
363.05188	1.6
379.04642	6.2
389.03149	3.0
407.04129	26.4
408.04404	2.6
422.06436	10.6
423.07123	0.9
437.08826	100.0
438.09131	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	437.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	7.1
59.01389	100.0
60.43896	3.1
68.52948	3.0
69.84602	12.7
71.01390	38.8
72.99316	3.0
73.02949	11.9
75.00864	3.6
82.82308	2.9
83.01416	3.2
85.02962	11.7
87.00894	9.2
89.02437	26.9
91.81837	3.4
95.01384	3.6
99.00928	8.2
101.02453	25.6
113.02478	21.0
119.03538	17.1
119.05019	3.2
123.08231	3.5
135.03008	7.9
143.03493	3.8
144.55577	3.4
151.07657	6.6
161.04585	17.7
163.07718	3.8
179.05632	11.5
203.10803	19.3
221.11833	50.0
222.12260	4.1
252.68437	3.4
275.05533	3.8
319.14063	33.2
337.15726	3.6
383.17282	6.2
401.17993	9.1
437.15948	87.1
438.16333	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	437.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25973	1.7
58.54202	1.6
59.01383	100.0
71.01395	14.1
71.26641	2.0
71.27065	2.1
72.71962	1.6
73.02942	5.3
75.86482	1.4
83.01372	1.5
85.02958	5.9
89.02468	3.7
96.95994	2.2
99.00916	2.4
101.02448	6.1
113.02471	3.8
156.05835	1.6
161.04547	4.3
173.38484	1.7
215.10796	11.7
267.81302	1.6
437.25626	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11409	16.1
59.01376	78.1
69.18736	100.0
69.19151	33.4
77.93918	16.3
82.29056	15.0
94.44498	15.5
113.02406	16.4
127.26691	15.5
146.64345	14.9
165.04350	15.9
177.28661	14.7
201.15048	32.7
293.12424	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	437.2183
Annotation	CHEBI:67657
Peak:m/z	Relative Intensity
55.01871	0.3
57.03454	0.3
57.93216	0.3
59.01385	100.0
60.01716	1.1
71.01390	2.8
71.11372	0.5
73.02959	1.2
75.00900	0.5
83.01397	0.4
85.02961	1.5
93.48930	0.3
99.00908	0.5
101.02464	1.7
113.02505	1.0
129.04144	0.3
135.03046	0.4
141.20421	0.3
161.04597	1.6
205.81369	0.3
233.15660	0.4
377.19684	0.5
395.20761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96881	0.8
56.10774	0.8
59.01385	100.0
60.01697	1.2
63.55451	0.8
66.40421	0.8
69.49603	4.7
69.85161	0.9
71.01380	2.1
72.99310	0.9
73.02950	1.3
73.90292	0.7
84.75328	0.8
85.02969	1.3
98.21796	0.9
101.02449	1.2
113.00171	0.8
113.02435	1.0
115.57320	0.8
233.11989	1.0
235.52464	0.8
348.12299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97132	79.2
66.69762	92.3
71.28127	83.5
101.66149	90.3
142.66823	90.7
144.06432	87.5
187.65932	80.1
191.76268	100.0
208.89526	89.9
240.29607	88.4
401.77576	98.1
423.07974	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98837	100.0
71.01398	2.8
71.26206	1.4
72.99315	0.7
78.95936	1.7
80.31200	0.7
85.02961	1.1
87.00900	1.0
89.02473	2.5
89.90838	0.7
90.97153	0.7
91.97601	0.7
94.90289	0.7
96.96043	3.0
96.96973	4.3
101.02484	1.4
111.32603	0.7
112.69550	0.8
118.96658	2.2
132.98259	1.5
160.81985	0.8
160.97694	1.2
161.04573	1.5
164.07204	1.1
195.06758	0.8
210.99373	0.9
217.00366	2.5
229.00331	0.8
259.01337	1.7
285.56723	0.8
347.41159	0.8
439.18298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98840	62.8
71.01384	26.0
73.02937	19.4
89.02448	10.8
95.22891	7.4
95.47546	6.6
98.22613	16.6
101.02480	26.0
113.02467	8.2
121.06630	11.9
217.12383	6.9
294.39514	6.1
331.55139	7.4
397.19296	7.2
417.21042	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	438.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55843	7.0
59.01393	100.0
68.19641	8.2
69.17297	63.0
71.01389	39.2
73.02928	9.4
80.19072	7.5
82.83897	8.6
83.04990	12.2
85.06592	13.3
89.02464	61.4
89.03973	27.3
98.21870	15.7
101.02463	26.0
113.02444	20.6
115.07648	18.8
119.03512	26.7
123.29846	8.0
125.06050	13.4
142.07794	8.1
143.07132	55.4
159.08185	32.2
162.50249	9.2
176.76176	8.3
179.05713	10.2
185.09746	48.7
215.10762	31.4
235.13298	13.6
289.36835	7.4
324.53067	8.4
331.80145	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	438.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
62.80009	9.0
63.22082	7.3
69.70947	38.1
69.71352	16.9
71.01392	50.4
85.02954	10.6
85.06606	21.1
85.84247	8.4
89.02451	79.7
89.03989	40.1
95.05015	13.4
101.02474	22.5
113.02489	24.0
119.03551	26.6
119.05014	10.1
120.83616	8.8
125.06120	21.6
127.10243	8.1
131.03499	9.6
143.07156	72.7
150.12321	9.0
159.08151	62.1
161.04630	11.8
185.09753	62.7
192.93851	8.5
206.61061	11.8
215.10803	19.4
316.02545	9.7
415.43170	10.6
417.95218	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	438.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.7
59.01389	33.2
68.86358	3.4
69.22805	25.3
71.01395	39.3
71.88601	3.2
73.02949	10.1
73.45548	3.1
81.59693	3.5
83.01403	5.0
85.02944	18.5
89.02476	15.8
98.21815	8.3
99.00927	4.2
101.02449	34.6
113.02415	8.5
131.03539	14.7
136.17412	3.4
149.04601	5.1
161.04559	5.1
263.15045	38.0
264.15439	3.7
395.19272	100.0
396.19400	12.1
433.15399	3.7
439.21854	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
69.00932	2.5
69.01347	1.2
71.01373	1.4
78.95914	45.9
89.02444	1.3
96.96974	100.0
98.22478	0.8
101.02458	0.6
113.02457	0.4
119.03561	0.8
132.98396	0.3
135.67702	0.3
150.05016	0.4
152.72333	0.5
165.18480	0.4
179.05615	0.8
212.13062	0.4
216.92067	0.3
341.10773	1.7
439.08716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51059	0.5
58.67536	0.4
59.01384	0.5
70.93747	1.0
78.95915	50.4
96.96974	100.0
212.16788	0.4
216.64487	0.4
219.05286	0.4
226.65840	0.4
240.52998	0.4
341.10822	1.2
439.08246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03452	0.8
59.01099	0.4
59.01388	6.9
60.30336	0.3
69.03439	0.5
69.45303	1.0
69.45704	0.6
71.01390	7.4
72.99316	0.4
73.02959	1.8
75.00875	0.4
79.45609	0.3
81.03467	0.5
83.01418	1.8
83.05040	0.5
84.50075	0.3
85.02960	12.0
86.03293	0.5
87.00878	2.1
89.02450	3.7
89.52151	0.3
93.03468	4.2
95.01414	0.9
96.96034	0.7
99.00891	0.8
99.04530	0.6
99.69025	0.3
101.02455	5.2
109.02971	0.8
111.00890	1.0
111.04526	1.2
111.14387	0.3
113.02466	2.0
119.03558	0.5
119.05029	1.0
125.02483	0.7
127.04045	2.5
129.02017	0.3
131.03522	1.8
143.03593	0.4
145.02939	0.5
147.04532	1.5
149.04562	1.6
155.03407	0.3
157.02953	0.5
158.03726	0.4
159.04546	1.4
161.02446	1.2
161.04555	1.6
163.04048	1.3
171.03008	0.6
173.02489	0.8
173.04529	1.5
174.03236	2.7
175.04016	7.2
176.04332	0.4
177.05588	0.3
189.01953	2.9
191.05630	100.0
192.05977	3.9
203.03391	0.5
205.05086	0.3
214.99815	0.7
216.00597	0.6
219.02937	0.3
221.04546	0.7
231.02866	0.4
247.02483	2.0
249.03976	0.4
265.03680	0.7
307.17645	5.9
308.18033	0.6
321.15497	0.6
389.05151	0.9
396.57788	0.3
421.08218	0.7
439.08829	1.2
439.22110	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	439.089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51257	0.5
58.88634	0.5
59.01391	6.5
61.98838	2.7
62.94820	0.6
64.74404	0.5
70.81831	0.6
70.82170	1.2
71.01388	6.3
72.99302	0.6
75.00350	0.6
76.40760	0.6
78.95916	46.5
89.02463	3.9
90.97152	3.1
96.96057	14.5
96.96974	100.0
100.99194	0.8
101.02431	1.5
118.96648	21.2
119.03542	1.1
132.98206	9.0
144.98129	0.8
146.96129	0.9
150.55104	0.6
156.98219	4.6
160.97688	6.9
168.98224	1.6
170.99789	1.3
179.05606	1.7
186.99326	1.9
189.00801	1.1
196.97693	0.9
198.99327	1.8
210.99290	5.4
217.00323	21.8
217.02318	1.2
218.00749	0.7
229.00301	4.5
247.01462	0.9
248.01056	0.9
259.01389	9.2
260.98923	0.7
277.02496	1.3
315.00623	0.6
341.10870	4.3
439.08026	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	439.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72324	1.0
55.29698	1.0
58.12354	1.2
59.01389	6.4
61.98847	1.8
67.01920	1.2
70.90891	2.0
71.01411	5.6
75.00870	1.3
78.95897	1.0
79.61378	0.9
84.96589	1.1
87.00899	1.1
89.02461	2.6
93.03470	2.7
96.96034	3.0
96.96986	2.3
99.00950	1.1
101.02441	2.1
104.20523	0.9
113.02489	1.7
121.02982	3.9
122.03778	6.3
133.02960	1.7
136.01672	1.9
137.02470	6.4
137.40919	1.0
149.02461	22.5
150.03246	56.7
151.03699	2.3
155.44211	1.1
162.03201	1.8
164.04852	4.8
165.01956	32.9
165.05591	57.7
166.02469	1.0
166.05972	2.7
175.04114	1.1
176.04790	1.8
177.05669	1.9
180.04303	26.7
180.05791	1.8
181.04974	2.3
191.05675	6.0
195.06644	100.0
196.07010	5.7
217.00311	1.2
232.79942	1.0
235.06241	2.0
243.08751	3.3
301.07245	1.5
316.09567	1.5
321.15680	1.3
331.11850	8.9
332.12378	1.2
379.16205	3.7
391.14160	13.7
392.14349	2.5
398.18750	1.4
439.16348	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	439.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20829	1.7
55.01877	2.4
57.03460	3.2
59.01388	56.2
67.91224	1.8
70.39545	3.3
70.39857	2.3
71.01391	37.0
72.81544	2.0
73.02951	11.4
75.00880	3.7
82.46424	1.7
83.01397	6.6
85.02969	23.5
87.00870	7.8
89.02459	20.1
93.03463	7.3
97.02962	2.0
99.00867	4.7
101.02462	29.7
111.00836	2.5
111.04522	2.0
113.02464	13.1
119.03500	2.6
123.39037	2.2
125.02419	2.3
127.03997	4.2
131.03493	7.3
135.03006	5.8
137.02441	2.7
143.03447	3.0
149.04573	8.9
150.03175	6.4
159.03044	2.0
159.04500	5.5
161.02473	13.0
161.04568	8.0
163.04033	10.8
165.01913	3.0
165.05582	6.9
173.04562	2.9
174.03226	2.8
175.03989	6.7
179.05692	2.3
180.04291	4.5
189.01961	33.5
191.05634	100.0
192.05974	6.5
195.06714	10.5
214.99803	2.5
221.04543	7.9
233.00920	2.1
235.11882	4.4
247.02454	7.0
247.11818	3.5
265.03485	4.1
307.05493	2.1
379.16022	14.2
397.17120	15.0
439.08527	3.7
439.17783	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	439.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01724	1.6
69.27819	1.6
69.28250	2.4
71.01391	7.4
72.99313	1.1
83.34879	0.5
85.02985	1.2
86.63603	0.5
89.02460	9.9
94.37736	0.5
95.01386	0.7
101.02444	4.4
113.02452	2.8
119.03520	3.3
125.81297	0.6
131.03500	0.6
149.04623	0.8
161.04649	0.9
177.47440	0.5
179.05687	1.3
193.05122	0.7
243.07655	0.6
285.36789	0.6
328.12247	0.5
355.44397	0.5
370.60474	0.6
384.30258	0.5
439.28860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	0.6
58.60677	0.3
59.01387	100.0
60.01723	0.9
69.27995	2.5
70.04263	0.3
71.01390	7.9
72.99335	0.4
82.24004	0.3
85.02987	1.4
89.02454	10.0
95.01409	0.4
101.02460	3.8
111.98438	0.3
113.02483	2.2
113.03181	0.3
119.03504	3.8
142.14584	0.3
143.03543	0.4
150.55804	0.3
150.93694	0.3
152.08852	0.3
161.04561	0.3
167.70479	0.4
179.05701	1.0
294.35608	0.4
394.04507	0.4
439.29153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01698	1.1
62.06109	0.9
69.26710	6.8
71.01394	7.5
72.48434	0.8
73.02941	1.5
79.19499	0.9
81.03468	2.5
83.01407	1.0
83.05027	7.5
85.02961	1.7
86.94967	0.8
89.02459	8.6
98.21819	1.1
100.07716	1.0
101.02453	4.6
113.02451	2.0
119.03529	3.7
139.97856	0.8
179.05692	1.2
203.34766	0.9
225.16078	1.8
235.60701	0.9
243.17152	4.4
397.22385	1.2
440.31287	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	439.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60760	0.6
55.01884	0.7
59.01386	100.0
60.01724	1.0
60.95885	0.7
61.98859	1.0
69.52646	4.2
71.01392	10.0
73.02945	3.6
75.72163	0.7
83.01370	0.9
85.02953	3.9
89.02474	1.8
93.03474	0.7
95.01424	0.7
98.22514	1.1
99.00935	0.9
99.04587	0.6
101.02468	4.5
113.02453	4.3
117.07111	9.8
118.98133	0.8
119.03568	0.8
134.03825	1.0
135.64354	0.7
137.02527	1.3
159.03108	0.8
160.64586	0.7
161.04665	2.7
161.09821	1.5
187.11372	1.8
217.12350	19.0
218.12747	0.9
276.17758	0.7
439.28558	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	439.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55039	2.9
55.01895	4.9
57.03444	6.7
57.65883	2.9
59.01384	100.0
61.98825	10.4
71.01390	56.9
71.27222	2.9
71.27654	6.3
72.01778	2.9
72.99332	5.0
73.02955	9.1
75.00873	4.1
75.15000	2.7
83.01385	4.9
85.02965	22.3
87.00887	9.7
89.02459	60.3
93.03468	9.1
95.01389	7.0
96.96029	7.5
98.16369	2.9
99.00887	5.6
101.02436	34.6
111.04541	3.4
112.18508	3.6
113.02477	22.6
117.03490	7.6
119.03536	21.5
119.05052	17.0
120.07658	2.8
121.02949	4.6
122.03780	8.5
124.98887	3.1
125.02524	4.2
133.03018	3.3
133.06618	62.6
134.06934	3.9
135.04555	6.9
137.02452	6.2
143.03481	6.6
149.02457	11.8
150.03236	52.0
159.04495	7.3
161.02484	6.7
161.04575	13.0
161.06099	4.5
163.04047	15.7
164.04802	4.8
165.01953	27.8
165.05588	66.9
165.06905	5.7
173.04622	5.0
173.06017	5.1
175.03967	6.8
179.03514	4.8
179.05582	16.6
180.04318	25.4
189.01993	26.2
191.05620	59.6
191.07315	3.7
193.04985	4.0
195.06642	86.6
195.08305	6.1
196.07005	6.9
199.07692	5.2
215.07170	18.0
221.04565	6.1
233.08186	19.7
235.02847	3.9
247.02606	5.2
261.00693	8.1
265.03448	5.3
277.07022	6.1
277.12854	6.3
379.19913	10.6
395.13593	6.5
397.17523	3.6
439.17798	19.4
444.56033	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	439.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10484	0.7
59.01387	100.0
60.01722	1.3
71.01392	6.8
72.52837	0.8
72.53297	0.8
73.02942	1.2
81.03502	1.4
83.05039	4.3
85.02970	1.7
89.02470	3.5
94.20364	0.9
101.02437	4.9
106.27348	0.8
113.02466	2.1
119.03553	1.6
161.04633	1.5
230.09961	0.8
230.11957	0.9
236.14622	0.8
243.17136	1.6
397.22372	3.8
440.31430	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	439.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	0.9
61.98853	0.6
71.01390	2.9
71.27034	0.4
72.99367	0.3
73.02967	0.8
83.01410	0.5
85.02979	1.1
89.02478	0.8
95.01466	0.4
101.02458	1.7
113.02461	1.4
119.03606	0.4
120.64732	0.3
125.02532	0.3
129.56108	0.3
130.04390	0.3
148.70918	0.3
161.04639	1.1
176.40558	0.3
177.12868	0.3
179.05484	0.3
233.97397	0.3
235.13452	0.6
235.17262	0.3
397.22748	0.6
448.38269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89497	3.2
70.52219	9.9
145.10591	100.0
146.10907	5.4
181.82329	4.0
196.02057	3.9
206.83092	3.7
208.43524	3.3
310.15982	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	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98812	24.8
65.03974	18.3
67.21932	14.0
71.01378	58.2
73.97395	15.9
78.78950	12.5
81.33493	15.6
89.02450	45.7
98.21781	28.5
101.02462	32.9
113.02434	21.0
118.85966	16.0
131.01334	17.8
140.08868	16.4
161.04553	21.1
161.46495	14.7
235.13402	26.6
304.35562	15.8
389.03351	16.3
403.98987	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	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04454	5.8
55.01857	17.0
59.01387	100.0
59.20770	5.2
61.98797	5.8
64.16003	6.4
68.99813	6.9
71.01382	30.2
73.02945	9.1
75.40376	5.3
83.01397	9.3
85.02944	7.0
87.00871	21.8
89.02445	39.8
97.02998	5.4
99.00742	5.0
101.02428	17.2
111.00889	7.9
113.02470	10.1
119.03509	12.0
124.98854	6.7
127.00361	6.3
152.98335	8.1
154.99898	55.4
160.94879	4.8
161.04561	10.4
164.71808	4.8
170.99422	12.6
201.68040	5.4
205.00620	6.0
235.13240	7.0
350.45178	5.5
415.44312	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	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	19.5
59.01387	47.6
71.01394	28.8
73.02932	5.1
83.01405	10.9
83.84899	3.0
85.02961	3.5
87.00878	4.2
89.02452	30.1
94.14906	3.0
98.08640	3.4
98.22570	6.5
101.02432	19.1
103.69133	3.9
113.02459	10.7
119.03530	13.4
127.00326	3.4
147.30119	3.0
154.99886	100.0
160.33850	3.0
161.09763	7.0
187.11229	3.9
217.12367	4.6
225.11134	4.7
235.13522	3.5
244.07239	3.7
285.04080	5.7
285.13486	5.8
310.80981	3.1
312.26031	3.2
357.53830	3.4
362.65726	3.6
450.00110	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	440.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	19.5
59.01387	47.6
71.01394	28.8
73.02932	5.1
83.01405	10.9
83.84899	3.0
85.02961	3.5
87.00878	4.2
89.02452	30.1
94.14906	3.0
98.08640	3.4
98.22570	6.5
101.02432	19.1
103.69133	3.9
113.02459	10.7
119.03530	13.4
127.00326	3.4
147.30119	3.0
154.99886	100.0
160.33850	3.0
161.09763	7.0
187.11229	3.9
217.12367	4.6
225.11134	4.7
235.13522	3.5
244.07239	3.7
285.04080	5.7
285.13486	5.8
310.80981	3.1
312.26031	3.2
357.53830	3.4
362.65726	3.6
450.00110	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	441.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.3
55.57285	0.3
59.01386	3.5
60.01735	0.3
67.01889	0.3
67.06829	0.3
68.99828	1.3
71.01393	1.8
72.90966	0.3
73.02953	0.8
81.03505	0.4
83.01408	1.0
85.02966	2.4
85.03410	0.3
87.00874	1.0
93.03497	0.7
95.01391	0.4
98.21806	0.8
99.00886	1.7
101.02457	1.3
111.00849	0.8
113.02464	2.2
113.99617	3.2
115.00410	1.6
119.05031	0.6
121.02974	100.0
122.03300	3.2
127.00378	1.0
129.01993	0.8
139.00400	0.9
140.20825	0.3
141.01971	0.3
153.71472	0.4
155.00032	0.5
157.01456	1.8
161.04543	0.6
169.01413	0.5
191.05710	0.4
231.55205	0.3
241.44070	0.3
259.04620	0.4
277.05652	3.9
278.04291	0.4
280.08798	0.4
280.58902	0.6
301.05643	0.7
319.06793	0.9
325.03607	1.9
395.19241	1.0
440.62317	0.5
441.10385	30.0
442.10675	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	441.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.4
69.54348	5.4
70.45766	16.0
71.01363	8.2
75.10098	5.4
78.95909	10.5
87.00914	6.3
92.80730	5.4
96.97004	10.1
102.73517	5.1
134.87430	5.4
161.04585	6.7
165.01974	21.9
168.99683	6.6
177.01967	7.4
179.03549	42.8
180.04276	22.7
180.74094	5.5
194.05812	22.5
195.06647	100.0
225.07671	45.9
276.14246	5.8
287.25510	6.1
305.91733	5.9
319.27219	6.2
357.11966	37.1
443.99609	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	441.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09817	1.8
59.01387	100.0
60.99279	2.2
61.98829	1.8
71.01390	19.3
71.49272	1.8
73.02935	3.8
73.57512	2.3
83.01376	2.7
85.02957	8.6
88.98811	18.7
89.02423	4.7
98.22533	4.7
101.02440	12.7
113.02464	8.0
125.08206	2.4
145.44525	1.7
161.04570	6.1
165.12822	3.2
168.04768	1.9
176.93343	1.8
221.11572	2.7
222.87480	2.2
233.11867	11.6
243.22176	1.8
251.11327	36.3
293.12579	10.4
307.19168	2.6
351.21475	5.2
441.06247	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	441.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26340	0.4
55.01883	0.8
57.03452	0.8
59.01385	11.1
60.71389	0.4
61.98845	0.5
63.34636	0.4
69.69255	1.8
71.01390	13.1
72.99313	0.6
73.02944	3.1
74.58097	0.4
75.00869	0.5
83.01383	2.2
83.05016	0.6
85.02962	5.4
87.00887	1.7
87.04536	0.9
89.02453	5.2
93.03473	1.1
95.01407	1.0
97.02934	0.7
99.00876	1.6
99.02229	0.5
101.02454	9.8
102.29890	0.4
105.78748	0.5
109.02969	0.9
111.00887	7.5
112.18900	0.4
113.02460	5.2
113.49384	0.4
115.04008	4.4
117.03510	0.6
119.03581	2.7
119.05042	90.6
120.05374	3.6
123.19353	0.5
125.02455	0.8
133.05086	4.7
133.06570	0.9
135.04567	0.6
139.07719	0.6
143.03543	0.8
145.02963	5.8
147.04520	0.7
159.02975	1.1
161.04575	3.6
163.04027	100.0
164.04364	4.4
179.05740	0.5
189.01752	0.5
191.05545	0.7
202.10016	1.7
217.12347	2.5
253.33261	0.4
254.82950	0.5
261.96298	0.4
279.08859	4.9
279.14575	3.5
325.09305	6.3
330.13181	1.1
331.14014	0.6
341.52930	0.5
441.13998	11.3
441.18958	4.0
442.14322	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	441.141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49863	0.5
55.01883	19.7
57.03453	0.5
59.01382	15.5
71.01389	6.8
72.99301	1.1
73.02953	4.2
76.01740	0.4
83.01393	9.9
83.05029	1.4
85.02948	1.5
85.06610	0.7
86.14103	0.5
87.00881	1.9
89.02463	3.0
89.03952	0.9
97.06585	0.7
99.00888	1.5
101.02458	3.7
108.02200	0.4
109.06592	0.7
111.00892	3.3
111.04507	0.5
111.97984	0.6
112.98808	1.4
113.02460	2.1
115.07689	0.8
117.01945	1.3
119.03500	1.1
123.08173	0.8
125.06067	0.6
127.00401	3.2
129.01976	1.5
136.10947	0.4
142.99886	0.9
143.07188	2.9
151.07751	0.6
154.99881	100.0
156.00208	2.8
159.08177	1.9
161.04608	0.7
165.09261	0.6
166.09293	0.5
173.00963	1.2
185.09677	2.1
193.08708	1.1
215.10844	1.4
223.13391	1.0
225.11374	1.4
228.77412	0.5
285.13449	4.5
327.14603	0.7
441.13730	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	21.5
59.01096	1.0
59.01384	18.2
63.67459	0.5
69.24085	3.8
69.24497	1.1
71.01386	8.9
73.02959	3.3
83.01397	10.0
83.05016	0.7
85.02967	1.8
85.06586	1.2
86.58633	0.5
87.00900	2.1
89.02448	5.6
89.03973	3.7
95.05058	0.8
97.06597	0.9
98.21809	1.2
99.00891	1.8
101.02464	4.5
104.29002	0.5
107.05052	1.0
111.00913	3.6
111.04525	1.0
112.98820	1.6
113.02471	3.0
115.00395	0.7
115.07679	0.6
117.01978	0.9
119.03530	2.3
119.05074	0.8
125.06100	2.0
127.00407	3.4
129.01903	1.1
143.07162	7.3
154.99884	100.0
156.00217	2.5
156.05782	1.0
158.36292	0.6
159.08171	4.8
161.04518	0.9
163.11310	0.7
169.06654	0.7
173.00903	1.5
179.05594	0.8
185.09735	6.4
186.10168	0.8
215.10732	3.5
223.13353	0.9
225.11418	1.8
230.13042	0.6
267.12305	1.2
285.13513	4.3
294.22818	0.6
331.64090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26764	5.0
52.98967	5.1
54.23268	5.2
59.01374	8.3
64.07889	4.6
70.78455	11.9
71.01383	15.5
74.02488	9.5
89.02474	5.9
98.21755	5.7
100.00394	6.6
101.02465	6.1
111.00916	7.8
115.92085	9.2
116.92859	7.2
121.16212	5.3
125.97854	10.7
128.03554	26.1
143.04642	19.5
145.01424	12.0
150.02007	10.6
151.02763	9.5
153.97351	29.1
160.75105	5.3
166.05118	38.4
168.99684	100.0
187.45483	4.9
189.33937	6.4
194.54594	5.7
203.98663	5.1
210.08919	8.3
247.61060	5.8
272.08914	19.0
441.18835	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	441.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.5
71.01392	18.7
72.99332	6.5
73.02979	5.7
75.14973	4.8
77.55353	4.4
84.78953	4.6
85.02979	9.6
89.02517	7.0
90.28731	5.0
96.84164	4.4
97.03011	5.6
101.02464	10.4
113.02435	6.2
115.04031	22.2
119.05042	92.0
119.05843	8.2
121.02977	6.7
145.01509	7.6
163.04041	100.0
165.05496	7.9
191.05687	6.6
195.06732	7.3
196.06935	6.3
302.55975	4.8
441.10034	7.0
441.19174	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	441.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26880	7.9
58.17777	8.5
59.01396	11.0
70.27994	8.3
71.01398	11.7
86.40724	10.1
86.51690	8.7
98.22565	15.2
125.97870	11.4
128.03566	27.8
143.04668	22.0
145.01472	17.2
150.34615	7.9
151.02808	9.4
152.00121	8.9
153.06633	14.0
153.97333	26.5
166.05115	39.0
168.99677	100.0
176.32216	10.5
204.99031	8.8
236.97475	8.8
250.70360	8.5
272.08847	14.1
441.18887	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68342	0.5
55.01884	1.6
57.03464	0.6
59.01385	100.0
60.01722	1.2
71.01389	9.0
72.99294	0.5
73.02950	4.5
83.01405	2.6
83.05069	0.4
85.02950	3.0
85.53770	0.3
87.00906	1.0
89.02445	2.9
95.01429	1.0
97.06641	1.1
99.00918	0.9
101.02457	6.4
101.03033	0.5
113.02452	3.2
119.03548	0.8
121.03022	1.0
154.99904	5.8
161.04614	1.7
179.05707	0.4
219.14073	1.0
237.15088	1.1
269.14258	0.5
325.16379	0.4
352.05576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10266	5.1
51.76647	4.8
59.01384	100.0
71.01428	5.6
74.80457	5.6
90.89452	5.8
101.48661	4.9
109.09167	5.7
301.16888	5.7
368.98160	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	441.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
64.19638	0.8
67.15663	0.9
68.33351	0.9
69.08968	8.1
71.01385	4.7
85.02964	1.9
89.02467	2.7
97.30820	0.9
100.43300	0.9
101.02473	1.5
113.02477	2.3
208.50000	0.8
213.88776	0.9
405.68063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.41526	0.6
60.01709	0.8
68.96027	1.6
68.96426	6.4
68.97706	0.7
71.01381	3.9
73.02953	1.7
85.02972	1.5
87.00887	1.0
89.02466	3.8
99.02591	0.7
101.02451	3.5
113.02473	2.3
131.03546	1.2
149.04613	1.2
154.99905	1.4
192.61705	0.8
228.00119	0.8
304.63220	0.9
441.30447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.25
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.47625	0.6
58.38220	0.7
59.01385	100.0
60.01721	0.9
61.98830	1.8
63.84185	0.8
69.46436	4.6
70.03402	0.8
70.59050	0.7
71.01406	2.0
73.02971	0.7
83.56896	0.8
85.02963	0.9
97.59624	0.7
101.02493	1.2
123.41508	0.7
149.63744	0.7
161.04570	0.7
161.29424	0.8
227.74010	0.7
271.03766	0.7
357.67310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.374
Annotation	Cerin
Peak:m/z	Relative Intensity
66.45356	0.7
68.01725	0.6
70.83515	1.2
92.71637	0.5
108.80107	0.6
112.74397	0.5
115.34103	0.6
119.68090	0.6
131.91197	0.6
132.27232	0.7
139.84128	0.6
140.07658	0.6
236.45206	0.6
292.89114	0.6
306.10526	0.6
368.51038	0.6
441.37430	100.0
442.37759	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	441.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10159	0.4
69.32610	0.4
70.33459	1.1
70.33854	0.9
86.20535	0.5
148.25363	0.5
162.83969	0.6
203.17357	0.5
369.95355	0.6
401.08978	0.6
441.37463	100.0
442.37836	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	441.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50439	0.4
69.14709	3.0
69.15115	0.8
77.14294	0.5
82.81100	0.4
113.12636	0.5
152.84412	0.5
313.75232	0.5
341.04514	0.5
441.37442	100.0
442.31805	0.9
442.37756	14.6
442.43631	0.9
454.78018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98034	4.6
58.02974	1.2
58.46223	1.2
59.01386	7.0
59.23645	1.0
61.98827	4.7
64.50310	1.0
64.69407	0.9
69.44460	3.8
69.44878	2.4
71.01398	10.7
72.99306	1.2
73.45490	0.9
74.02470	6.6
75.00874	1.4
81.04626	1.2
82.02959	1.5
84.97530	1.2
85.02960	1.8
86.02487	4.5
86.48157	1.2
87.00869	2.9
89.02456	3.8
93.03468	1.1
97.04115	1.4
97.98371	1.2
99.00893	2.8
99.05643	5.2
100.00413	3.9
101.02473	4.4
102.05601	2.6
105.01965	1.9
108.14673	1.1
109.02949	2.6
109.04063	1.3
110.00065	1.2
113.02470	1.8
115.00423	1.5
117.01923	1.1
119.05041	82.8
120.05412	1.2
122.02487	4.2
123.03277	4.6
123.04505	1.2
124.01702	1.2
125.03568	2.0
125.97829	12.4
128.03554	28.4
134.03764	11.2
135.05659	1.6
136.04022	1.2
137.02498	2.4
141.00166	5.1
141.03047	1.2
143.04634	20.6
145.01448	11.0
145.06174	1.3
146.01768	3.1
146.04625	5.8
147.02969	1.3
149.06062	3.1
150.01990	9.5
151.02786	11.0
153.01947	2.5
153.06712	1.8
153.97324	26.9
155.98915	10.3
163.04028	93.7
166.05107	42.5
167.05608	1.3
168.99667	100.0
170.00026	3.0
170.03502	1.0
171.01187	2.7
171.07742	2.5
178.02769	5.4
178.05103	1.4
179.04649	4.2
185.05646	1.0
191.05650	3.2
192.03113	1.4
193.05080	27.0
197.05693	1.2
208.07578	1.0
210.04041	1.6
210.08823	5.0
222.99429	1.6
226.01852	2.1
234.75566	0.9
235.07298	2.3
238.01776	2.2
249.05467	4.4
252.06314	2.6
253.06110	1.0
254.07887	7.8
272.08871	16.6
279.06171	3.1
281.06882	1.1
281.13977	2.7
297.08276	5.1
313.05099	3.5
325.09488	1.6
355.10471	2.4
397.17038	1.5
442.10101	3.3
443.11905	4.5
443.19150	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	442.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21427	3.1
56.88951	3.1
59.01388	90.9
60.01732	8.3
61.01815	7.6
61.19357	3.0
61.98839	100.0
71.01389	18.9
71.28670	4.9
73.02973	4.3
83.01402	5.9
85.02976	5.6
89.02448	12.5
101.02495	4.7
113.02427	4.8
114.50507	3.7
131.03503	3.8
154.99902	10.6
198.99080	3.4
218.07413	3.7
220.33508	3.5
221.08092	4.5
348.75534	3.9
398.82434	4.2
442.30231	7.9
443.23264	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	442.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42487	4.8
53.53858	4.9
54.17379	4.5
58.74536	4.9
59.01387	46.8
60.01710	7.1
61.98836	100.0
69.24232	36.3
75.26991	4.6
77.49645	4.5
83.57088	4.2
91.78485	5.0
95.12337	4.6
102.40501	5.7
127.05219	4.8
164.98912	4.6
283.71109	5.3
406.06830	5.0
442.47552	5.5
462.34073	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	442.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	19.6
57.03455	2.0
59.00923	2.1
59.01387	54.3
62.88385	2.3
69.40730	14.7
71.01382	13.6
73.02942	7.9
83.01410	10.4
85.02960	5.4
87.00872	5.5
89.02441	5.9
93.03460	2.9
99.00855	2.7
101.02443	8.8
111.00906	3.8
113.02464	6.1
114.71787	2.1
115.00370	2.4
121.06693	2.1
127.00365	3.1
137.02483	2.7
149.04305	2.9
154.99886	100.0
191.05653	2.9
193.03275	3.1
227.12822	5.0
265.48807	2.5
287.14975	10.0
290.29605	2.3
421.21390	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	442.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.2
59.01138	7.1
59.01392	100.0
65.41732	5.0
66.20284	5.0
68.97504	11.7
68.97915	48.8
71.01388	43.0
83.01416	8.1
85.02975	12.8
89.02457	23.7
101.02480	30.7
104.34271	5.6
111.47602	6.8
113.02460	17.5
117.95419	5.7
119.03511	14.2
141.98537	6.0
154.99892	45.4
161.04625	7.6
250.28946	6.6
349.63770	6.5
429.55820	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	442.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	86.1
71.01386	73.9
71.26938	12.1
72.01712	7.5
73.02989	6.7
76.48119	6.2
85.02966	16.2
89.02454	100.0
89.03974	15.6
90.02805	7.8
95.01385	10.2
97.06606	7.0
101.02447	41.3
113.02462	27.8
115.07669	12.5
119.03529	34.7
125.06071	8.4
134.35779	5.8
143.03496	12.7
143.07129	38.6
144.07494	9.2
159.08156	26.2
160.08499	18.2
161.04527	11.9
179.05542	15.7
185.09741	27.3
186.10121	15.6
198.83717	5.8
200.54378	6.0
216.11113	8.9
255.03128	6.3
373.50467	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	442.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.7
59.01384	100.0
60.01725	7.3
62.13425	5.1
68.99564	47.5
71.01403	41.5
73.02941	16.6
81.03492	4.2
83.01385	6.7
85.02960	7.0
87.00925	5.9
89.02454	31.6
91.08797	4.9
101.02450	24.8
110.92995	6.1
113.02473	18.8
113.19371	5.2
115.93781	4.4
119.03529	14.9
154.99902	40.0
161.04568	8.6
269.04816	7.6
287.14960	7.6
348.26050	4.5
425.57578	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	443.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59652	4.4
59.01387	35.9
60.99311	16.2
71.01391	33.2
71.26123	6.3
73.02976	5.7
74.02454	5.4
75.00868	5.0
85.02955	16.2
88.98816	100.0
88.99372	5.0
89.02449	20.0
93.03468	12.2
95.01426	5.1
96.96028	13.8
99.00942	8.7
101.02448	23.4
107.61364	4.5
109.03098	4.4
113.02496	14.9
119.03551	8.2
119.05040	72.1
128.03546	8.4
134.03732	31.1
135.04573	41.7
137.02483	7.4
141.22809	4.5
149.02484	5.6
149.06157	7.3
161.02452	4.7
163.04027	97.7
164.04668	4.2
173.04588	58.5
178.02750	14.7
179.03532	49.6
191.05624	34.3
193.05074	49.9
210.47232	4.5
216.47395	4.5
217.67177	4.3
224.19737	4.1
236.79091	4.3
237.07539	4.4
263.09314	5.1
281.06491	5.6
353.08749	34.6
354.09369	9.0
443.12506	6.8
443.19208	78.0
443.24951	6.7
444.19623	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	443.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
58.00584	0.5
59.01134	0.5
59.01389	5.9
60.09226	0.5
69.35464	1.2
69.35877	2.0
70.73239	0.4
71.01387	4.5
73.02946	0.8
75.00909	0.8
83.01383	0.7
85.02959	1.7
87.00893	6.7
89.02461	4.5
98.08457	0.5
98.21867	1.1
99.00884	1.2
101.02462	3.9
105.01942	6.9
109.02983	0.6
113.02457	1.8
114.11271	0.5
114.13760	0.5
119.03538	1.5
119.05032	7.8
121.02889	0.6
133.02991	1.0
134.03755	41.0
135.04105	1.5
137.02452	5.6
139.04025	1.6
149.06099	16.5
150.06425	0.8
160.01683	1.5
163.04015	8.2
171.11798	0.9
175.03998	2.5
178.02736	26.5
179.03101	0.8
179.05632	0.5
189.12996	0.6
191.05569	0.6
193.05077	100.0
194.05444	5.3
201.12952	0.6
203.57497	0.5
237.14938	1.1
253.15248	0.5
281.06686	4.6
281.13956	5.2
297.08270	2.7
355.10345	8.9
356.10754	0.6
387.35748	0.5
443.06177	0.4
443.12064	9.3
443.19290	11.5
444.13361	0.9
444.19583	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	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81578	0.8
55.01878	1.3
58.55747	0.7
59.01390	12.8
60.94883	0.8
68.98903	1.6
68.99304	6.8
71.01391	10.7
73.02949	3.1
74.02492	3.9
75.00883	10.7
80.22050	0.9
85.02965	2.9
87.00900	2.9
89.02456	4.3
93.03484	1.9
99.00895	36.9
101.02459	5.4
105.37800	0.8
113.02492	3.5
115.08788	3.2
117.01955	3.5
117.03463	0.8
118.05140	1.0
119.05047	90.1
120.05379	4.3
130.08656	0.9
134.03787	5.8
135.02983	1.6
143.11925	2.2
146.02264	0.8
163.04037	100.0
164.04382	4.8
179.07054	0.9
193.05077	7.4
194.05585	0.9
221.11824	0.9
224.84456	0.8
228.17212	1.6
233.11682	0.8
237.06194	6.4
256.20306	1.1
261.06125	3.5
279.07254	1.8
297.08292	32.6
298.08698	1.4
399.26178	4.8
443.15625	1.6
444.24515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93646	0.4
59.01387	2.4
60.37999	0.3
69.20612	1.1
69.21035	1.7
71.01385	2.0
73.02982	0.5
75.00883	1.6
85.03004	0.5
89.02457	1.0
93.03477	0.6
99.00886	0.5
101.02456	0.8
113.02460	0.4
117.02012	0.5
119.05043	100.0
120.05378	3.8
134.03749	4.6
135.02991	2.0
137.02490	0.9
139.04054	0.4
141.71153	0.3
149.06102	1.4
161.05997	0.4
163.04028	98.0
164.04375	4.9
165.41382	0.4
178.02731	3.3
191.94582	0.4
193.05084	12.0
281.06744	1.4
297.08279	2.6
325.09363	6.3
355.10321	1.2
443.11938	8.3
443.17889	0.7
444.12289	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56571	0.6
58.89569	0.5
58.96494	0.5
59.01380	2.1
70.02611	2.1
71.01387	1.3
75.62108	0.5
82.05805	0.5
85.11938	0.6
89.02457	0.5
99.00894	2.3
101.02476	1.2
105.01932	2.1
111.00886	0.8
119.05030	8.1
121.02983	1.5
133.02975	0.8
134.03758	44.1
135.04109	1.7
137.02452	6.1
139.04024	1.9
149.06099	14.5
150.06396	0.8
163.04019	10.1
164.04390	0.8
178.02734	28.3
179.03076	1.6
192.48454	0.5
193.05074	100.0
194.05374	4.4
231.00230	0.6
281.06647	2.6
297.08228	0.8
352.96603	0.5
355.10358	10.5
356.10757	0.9
443.11984	5.7
443.18433	0.9
443.25403	0.7
444.12115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00371	0.6
55.01889	0.9
57.03464	0.8
59.01388	5.1
60.44272	0.7
61.98839	3.4
69.07505	1.5
69.07910	5.2
70.02979	0.6
70.88291	0.6
71.01387	5.2
73.02946	1.3
75.00884	1.9
85.02982	1.6
87.00866	1.0
89.02454	2.3
92.79102	0.6
93.03492	1.7
99.00896	51.4
101.02448	1.8
103.65385	0.6
111.00896	7.0
113.02440	1.9
114.01974	2.4
116.07228	1.3
117.01926	0.6
119.05045	77.4
120.05410	2.8
129.10353	1.8
131.04684	1.5
134.03787	1.0
137.02481	0.8
145.06226	0.8
151.08804	0.8
152.29916	0.7
161.04546	1.6
163.04034	100.0
164.04364	3.6
168.11462	1.4
186.12753	0.7
191.05702	1.0
193.05089	1.9
222.92543	1.0
237.06154	1.4
261.06177	3.5
280.95264	1.7
281.19809	3.8
297.08307	9.1
299.20877	1.9
325.98938	0.8
351.11172	0.7
414.23767	1.8
421.38605	0.7
443.25162	1.4
444.24496	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	443.12
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04285	1.1
55.87693	0.9
58.38688	0.9
59.01376	7.1
69.28821	5.0
69.29250	2.9
71.01390	4.9
73.02947	2.3
75.00877	10.9
78.00437	0.9
83.49603	1.1
85.02969	2.2
85.63532	1.0
87.00886	2.1
89.02457	2.6
93.03488	4.5
99.00895	38.2
101.02462	4.2
106.79250	1.1
112.44633	1.1
113.02480	2.0
117.01958	2.8
119.05045	100.0
120.05370	2.4
128.03546	1.1
130.08745	1.2
135.02902	1.0
137.02460	10.4
161.04610	1.1
163.04031	95.1
163.12645	1.1
164.04375	5.0
169.09840	1.1
191.05637	1.2
237.06256	6.9
247.60081	1.0
250.77029	1.1
261.06158	4.5
281.06760	1.6
297.08304	33.9
308.65485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	20.3
59.01096	0.9
59.01382	13.4
71.01389	4.2
72.99294	1.5
73.02949	3.5
77.03922	0.6
81.03531	0.8
83.01401	7.3
85.02940	1.0
87.00877	2.5
87.01363	0.7
88.32928	0.7
89.02433	1.5
99.00871	1.0
101.02470	2.2
111.00894	2.9
112.98826	0.9
113.02454	0.7
116.98491	0.6
117.01952	1.6
120.13153	0.5
121.41173	0.6
123.02825	1.4
127.00380	2.3
129.01935	1.5
149.04326	2.3
154.99886	100.0
156.00198	3.6
161.04535	0.6
164.04779	1.1
173.00949	1.2
179.07114	0.9
193.03320	2.5
227.12813	3.3
229.12978	0.9
269.13919	1.3
287.15054	7.2
449.46536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	22.2
56.02230	0.4
59.01100	0.6
59.01385	9.3
60.99294	0.3
71.01385	3.6
72.99333	1.2
73.02958	2.4
83.01393	6.5
85.02966	0.8
87.00890	2.1
89.02455	0.5
98.21788	0.9
99.00877	1.1
99.04513	0.3
101.02462	1.1
108.40883	0.2
111.00893	3.3
111.98013	0.5
112.98841	0.9
113.02482	0.4
115.00376	0.5
117.01940	2.4
119.03514	0.3
127.00372	2.6
129.01996	1.7
134.29610	0.3
142.99863	0.6
145.01398	0.3
154.99879	100.0
156.00214	3.3
171.98831	0.3
173.00925	1.6
209.11852	0.5
225.14993	0.9
227.12869	3.4
249.00397	0.3
269.13943	0.6
271.52927	0.3
287.15015	8.9
288.15430	0.9
443.15875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.2
57.03438	4.0
58.00580	2.9
59.01384	94.3
61.98819	2.2
69.03479	2.0
69.90329	6.3
71.01391	88.6
72.01736	2.2
72.99304	4.9
73.02958	15.2
75.00906	3.7
83.01415	12.9
83.42677	1.6
85.02480	2.8
85.02962	37.1
87.00881	6.4
87.04514	2.0
89.02454	56.9
95.01406	8.0
97.02961	4.0
99.00894	8.3
101.02453	76.1
113.02466	45.1
114.98830	2.1
115.62495	1.6
117.00432	3.6
119.03522	22.8
119.05038	14.5
119.07151	10.9
126.98849	1.7
130.08746	8.2
131.03499	5.0
133.05063	1.9
134.03714	4.3
143.03505	6.2
149.04456	2.1
149.06128	1.6
150.04208	4.6
159.01494	11.4
159.02943	4.3
161.04582	30.9
163.04031	20.2
172.97551	2.6
178.02684	2.1
179.05620	14.1
179.92992	1.7
186.99176	2.5
193.05084	12.7
199.04536	1.9
201.02612	4.4
214.98749	4.4
217.00409	2.2
221.06680	5.6
222.99426	2.3
281.12454	100.0
282.12839	5.5
286.06027	5.0
297.08258	3.2
301.02716	12.6
334.99341	2.5
341.11157	2.4
356.05286	3.0
384.04865	3.2
402.05447	3.6
425.16254	2.7
430.11505	1.9
443.17752	98.4
444.05237	6.8
444.18243	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	443.1928
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.05500	0.6
55.01872	2.3
57.03448	2.0
58.00595	1.2
59.01387	38.5
60.48870	0.6
69.51845	3.1
71.01389	27.6
72.99306	2.1
73.02950	4.4
77.62414	0.6
78.56345	0.6
83.01420	3.6
83.05032	0.7
83.33521	0.6
85.02961	9.1
87.00894	1.2
89.02455	16.5
91.60572	0.6
95.01418	2.7
98.21783	0.7
99.00890	1.0
101.02457	18.7
105.74541	0.6
111.04513	1.0
113.02468	10.1
113.68095	0.6
119.03522	7.5
121.06599	0.7
127.31271	0.6
143.03526	1.0
144.36006	0.6
149.04564	0.7
161.04608	1.5
177.02495	0.6
179.05537	0.8
189.12856	1.8
206.22968	0.7
219.13861	0.8
237.15001	1.4
260.23605	0.6
281.13971	1.5
378.71759	0.7
403.68695	0.6
443.19287	100.0
444.19659	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12451	0.6
53.79387	0.5
54.71856	0.6
55.01882	2.2
56.73193	0.5
57.03440	1.5
58.00599	1.7
59.01389	32.0
60.99303	0.7
69.05888	5.3
71.01392	28.1
72.99315	2.0
73.02956	4.2
75.00880	0.7
83.01403	4.5
83.05058	1.0
85.02957	10.0
87.00890	2.1
88.98801	4.2
89.02460	17.9
95.01406	1.8
99.00899	2.5
101.02459	19.5
111.04546	1.4
113.02463	8.8
119.03509	7.7
119.05019	1.1
121.06628	1.1
123.08155	0.7
129.95703	0.7
161.04570	1.9
163.03967	0.7
171.11914	1.3
189.12906	1.8
191.05653	2.6
237.14966	1.2
281.14005	1.9
443.19287	100.0
444.19571	12.8
444.25153	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	3.0
57.03446	0.9
59.01386	100.0
60.01719	1.4
67.75348	0.5
68.11824	0.6
68.27024	0.5
71.01393	17.8
72.99330	1.1
73.02956	9.0
83.01390	4.5
85.02961	5.8
87.00906	2.0
89.02461	9.9
89.02972	0.8
95.01402	1.3
95.40188	0.5
97.02938	0.6
97.06618	1.1
98.22588	1.0
98.83821	0.6
99.00901	3.0
101.02458	13.5
111.00907	0.9
113.02473	7.6
119.03513	3.6
121.93694	0.5
123.08183	0.7
129.09283	0.5
131.03540	0.9
137.02492	1.0
143.03545	1.2
154.99893	10.0
156.00201	0.7
161.04539	3.1
166.46959	0.5
173.00990	0.6
179.05663	1.5
182.19406	0.5
200.68422	0.5
221.15553	1.0
276.27911	0.6
401.22003	1.0
413.21283	0.7
443.23264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89728	1.0
62.79443	1.1
69.58621	2.1
69.59029	5.2
70.89021	1.1
74.99091	2.3
133.42606	1.1
139.13474	1.0
146.22874	1.1
159.08571	5.6
161.06419	2.5
217.07283	3.0
277.07687	6.7
293.07034	1.7
318.38794	1.1
343.12589	1.2
345.13919	2.6
357.13708	5.7
359.15396	100.0
360.15579	15.0
377.16486	1.8
425.20313	2.2
427.21652	51.5
428.21939	8.9
443.24854	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	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42814	3.8
57.15616	4.0
59.01100	5.0
59.01386	100.0
61.98841	11.1
70.92695	11.7
71.01369	9.5
93.51653	4.1
101.02448	4.3
154.99910	5.9
325.03351	5.9
353.19189	17.1
354.19464	5.3
371.20135	26.0
443.19009	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	444.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03445	1.5
58.00609	1.3
58.99337	1.5
58.99611	22.5
59.01388	49.8
60.01721	1.1
62.91725	0.8
68.97177	9.5
69.03519	1.1
71.01392	26.9
72.01725	0.9
72.99332	1.5
73.02953	5.1
77.24416	0.9
83.01421	2.1
83.05004	1.1
85.02962	9.1
87.00889	13.8
89.02460	15.5
95.01390	2.0
99.00889	1.9
101.02458	15.1
101.56126	0.9
102.02795	1.1
102.98608	100.0
103.98941	1.2
113.02483	10.1
114.02732	1.5
115.00374	1.2
119.03525	7.0
128.30710	1.1
131.03517	1.0
143.03534	1.6
145.23624	0.9
161.04597	7.5
173.43932	1.0
175.02437	1.2
179.05598	2.7
179.07074	1.0
179.10777	2.6
190.13113	1.0
191.05650	1.7
194.23402	1.0
205.12389	3.9
227.12973	1.2
249.06192	6.7
255.03011	2.9
283.04974	84.8
284.05301	4.1
287.15057	1.8
385.18710	2.3
429.73431	1.2
444.19363	4.1
444.25906	3.3
445.16837	1.1
445.25250	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03436	2.0
59.01382	31.5
61.98837	2.3
71.01388	36.1
72.99345	2.5
73.02955	8.7
74.02479	2.4
75.34587	1.7
83.01409	4.5
85.02959	15.7
87.00922	2.6
88.48743	1.6
89.02457	27.2
93.41817	1.8
99.00903	5.1
101.02454	27.4
109.95259	1.9
111.00873	7.5
113.02480	16.9
119.03603	2.8
125.02477	3.8
127.05159	1.9
128.03545	3.7
129.02055	1.9
130.08766	3.9
131.03545	9.5
149.04564	7.9
161.04607	13.2
191.05582	2.9
233.06725	4.2
269.10318	26.3
270.10730	2.4
281.19849	2.2
293.08841	3.5
310.04282	2.0
357.21286	4.0
364.00278	1.9
401.14560	100.0
402.14929	13.6
435.28012	1.8
444.24823	6.1
465.53351	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	444.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78109	12.0
59.01382	100.0
59.42818	11.2
60.67804	10.1
61.98811	12.9
69.53010	60.5
69.82858	9.5
70.58101	9.3
71.01389	31.8
71.28823	10.6
73.02976	15.4
89.02430	10.5
98.22461	10.9
101.02470	27.4
113.02438	20.6
153.12877	27.9
164.07428	10.6
197.11819	39.1
211.13441	13.4
255.03093	68.0
283.02530	35.2
284.03186	13.7
327.21875	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68250	9.2
58.67752	10.7
59.01378	100.0
62.06289	8.9
68.22736	10.3
69.14378	89.1
71.01378	84.9
73.02958	19.4
80.58484	11.3
83.43129	10.7
85.02965	30.7
86.37732	9.6
87.26697	10.4
89.02442	39.6
98.21659	10.8
101.02460	66.2
113.02469	33.6
114.96069	9.0
135.00818	11.0
136.01256	14.8
143.03543	9.9
153.01971	19.5
154.02251	11.1
161.04626	24.7
255.03038	54.2
283.02548	31.2
289.73651	9.6
300.22769	9.0
406.12286	17.7
406.95294	10.1
453.41077	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	444.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31356	16.1
57.07357	15.6
59.01376	19.6
69.22472	100.0
69.22882	28.5
79.60986	18.2
98.21788	35.6
116.40828	15.5
119.85730	16.9
125.12254	17.1
154.20352	15.7
187.57147	15.7
209.08212	46.6
221.22824	15.6
230.75218	16.2
255.02840	23.6
277.21750	27.0
294.82095	16.4
324.27805	21.7
397.76782	18.4
445.29425	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.4
69.19337	18.0
71.01379	10.7
71.10335	2.3
72.00896	3.6
75.00880	79.3
85.02940	3.8
89.02473	12.8
98.22500	4.5
101.02461	5.6
103.00385	100.0
104.00731	3.1
104.03542	13.0
113.02461	6.9
117.83034	2.8
119.03499	5.1
133.01305	2.2
158.05246	2.4
161.04646	2.8
179.05623	6.9
191.05659	3.8
196.66393	2.6
235.83046	2.2
283.10516	3.0
341.10858	9.8
445.15671	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00657	3.3
57.03455	10.9
57.74737	2.7
59.01387	99.4
61.98840	12.9
65.59306	2.9
69.22952	10.2
69.23380	12.8
71.01391	49.8
72.99294	3.2
73.02946	8.9
78.79831	2.8
81.03426	2.6
82.90323	2.4
83.01426	2.6
85.02959	15.8
87.00887	3.9
88.17173	2.6
89.02441	22.6
95.01414	4.0
97.06638	3.9
101.02455	32.4
102.98629	7.6
109.06559	3.2
109.19110	2.6
113.02486	14.5
119.03508	10.4
121.06618	18.8
123.04557	6.7
130.08771	3.8
143.03473	4.7
145.27408	2.5
147.08202	6.5
148.08224	2.9
151.11334	4.6
153.98909	2.8
161.04576	39.4
161.09735	4.1
163.11385	3.3
179.05600	5.1
179.10779	100.0
180.11072	5.4
187.11401	4.9
203.10829	3.3
205.12335	59.4
206.12741	3.5
208.23824	2.9
210.64294	2.9
223.13466	11.4
283.04977	4.6
284.03329	6.5
285.04071	5.7
341.16104	7.4
418.27313	3.6
445.16428	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09570	1.0
57.83662	1.0
58.00602	1.6
59.01386	100.0
69.18414	8.1
71.01383	15.9
80.22880	1.1
83.05032	2.4
85.02998	1.7
87.00892	1.9
89.02456	30.1
101.02443	6.8
113.02473	7.1
119.03521	12.5
121.31111	1.0
131.03510	1.7
143.03479	2.1
149.04521	1.1
161.04576	3.1
179.03767	1.8
179.05583	16.2
209.08186	3.3
254.51799	1.3
439.50357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.3
58.00597	1.7
59.01388	100.0
66.20293	0.9
71.01394	21.9
72.99315	1.8
80.68416	1.0
83.01382	1.0
83.05028	2.4
85.02962	4.2
87.00890	2.0
89.02459	37.9
95.01399	2.4
96.00918	1.4
98.21814	2.6
101.02466	15.0
113.02473	10.5
119.03528	16.8
143.03493	5.0
153.09189	1.6
161.04617	5.4
179.05635	15.9
205.12402	2.3
221.06682	2.0
246.53171	1.0
246.81334	1.3
288.84537	1.0
289.98758	1.0
311.05908	0.9
369.68900	1.3
385.18893	2.3
410.19421	4.6
427.21957	1.9
445.20331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.5
59.01386	100.0
59.08919	1.5
71.01392	16.5
73.02935	2.6
73.67383	1.6
76.19798	1.5
85.02956	4.3
87.00882	2.4
89.02454	19.0
98.22650	3.1
99.00898	1.9
101.02438	9.7
109.06618	2.7
113.02476	7.1
115.78787	1.5
119.03528	5.3
123.04556	4.9
123.08205	2.1
130.08730	1.7
131.03555	2.2
147.08150	5.1
149.09727	1.8
151.11276	2.9
161.04584	17.4
161.09724	4.0
171.55324	1.6
179.05602	5.3
179.10794	64.0
180.11209	4.5
187.11273	6.2
189.09149	2.6
190.09853	1.6
198.74191	1.6
203.10756	2.8
205.12349	62.9
205.87315	1.8
206.12653	4.8
220.95082	1.7
223.13359	11.7
341.16220	2.6
361.32413	1.7
382.12143	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	445.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14406	0.5
59.01351	0.8
67.44501	0.7
69.12971	2.2
69.13397	2.3
78.95911	8.4
110.98539	6.2
131.31734	0.5
167.01183	2.9
185.02245	4.6
235.90269	0.6
240.43790	0.6
249.32111	0.8
259.17981	0.6
277.21750	100.0
278.22079	11.0
306.71469	0.5
445.23883	4.2
445.29343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	71.0
61.75661	1.7
61.98846	2.8
71.01395	26.9
71.28042	3.1
72.99302	2.1
73.02955	26.4
83.01404	8.7
85.02959	5.9
89.02470	10.8
96.96072	2.3
99.92646	2.5
101.02453	22.2
110.51080	1.9
113.02442	6.8
116.58334	1.8
118.89989	2.3
121.02953	4.6
131.03549	1.9
151.00511	2.1
160.84283	2.2
161.04570	2.6
179.75401	1.9
202.81779	1.7
223.11494	2.4
223.17030	29.7
241.18024	2.9
255.03033	34.2
256.03305	2.3
283.02554	19.8
284.03510	2.7
285.04138	3.3
296.03333	5.1
329.23306	7.1
385.22223	2.5
403.23569	14.9
410.13931	3.7
445.24472	100.0
446.08597	5.9
446.24661	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	445.3329
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
57.03456	4.3
57.66763	0.4
59.01366	1.4
61.98820	0.5
66.48235	0.4
69.05630	3.9
78.07305	0.4
91.85407	0.4
124.84460	0.4
160.84186	1.1
209.49976	0.4
255.03012	2.2
283.02493	1.0
333.28088	0.9
373.27402	0.5
381.31805	0.9
383.29578	0.9
385.31192	2.6
401.34317	26.0
402.34494	4.0
409.90500	0.4
427.32312	8.0
428.32590	1.3
445.33344	100.0
446.33704	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	446.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	41.9
61.98825	1.7
68.37209	0.5
70.70666	1.0
71.01376	1.8
71.42578	0.5
73.02941	1.4
76.75163	0.6
89.02449	1.0
90.97146	1.7
101.02447	1.0
108.02088	0.6
113.02486	0.7
118.96659	0.6
123.04541	1.1
130.08752	100.0
131.09091	2.6
132.98215	2.1
141.98248	1.3
160.97786	1.3
167.03514	1.1
174.99249	7.1
187.98782	0.8
217.00320	20.0
239.81528	0.6
244.05009	4.9
246.06613	3.2
249.30450	0.7
288.07678	94.4
289.07904	4.5
446.06619	18.3
446.16199	0.8
447.07016	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	446.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99038	0.6
59.01387	8.0
61.98834	0.6
71.01382	3.4
71.25101	0.7
72.00928	16.3
72.99314	0.8
74.02494	13.8
75.00880	1.2
89.02487	4.8
99.00898	2.4
99.33945	0.7
101.02477	2.4
103.00396	0.7
103.01501	1.0
104.03559	100.0
105.01958	12.2
105.03883	1.0
108.02169	0.9
111.53478	0.7
113.02466	1.3
119.03504	1.4
123.04542	1.7
143.03557	0.8
152.01218	1.0
161.04645	0.8
167.03531	7.0
179.05620	2.7
191.05716	0.7
215.52528	0.7
285.04019	0.7
341.10953	10.8
342.11444	0.8
447.09302	0.9
472.46634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
63.02388	1.6
63.11977	0.4
65.00328	0.7
72.82631	0.4
73.19527	0.4
83.01379	1.3
87.81665	0.4
98.21779	1.2
103.29824	0.3
107.01403	2.9
109.02955	0.4
111.05278	0.4
121.02961	0.6
132.02182	0.4
133.02966	4.5
134.03719	1.1
143.23434	0.4
149.02429	1.6
151.00392	4.6
159.40703	0.3
168.98712	0.4
169.01399	0.5
171.04535	0.5
175.03975	1.8
177.01932	0.5
183.04547	0.7
185.05998	0.6
187.04036	0.5
195.04572	0.6
199.04036	2.0
200.04747	0.9
211.04022	1.2
217.05122	0.7
227.03522	1.6
228.04411	0.5
255.03029	1.5
256.03806	3.9
283.02533	0.7
284.03299	57.2
285.04068	100.0
286.04404	7.3
327.05005	1.0
447.09372	62.1
448.09662	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	447.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32684	0.2
59.01382	0.5
63.02404	1.3
65.00325	1.0
69.11109	2.0
69.79508	0.2
71.98980	0.2
83.01386	0.9
88.29992	0.3
92.64108	0.2
98.22531	0.5
98.98888	0.2
102.17645	0.2
105.03474	0.4
107.01404	2.3
109.02921	0.3
121.03036	0.3
129.68124	0.2
132.02162	0.3
133.02974	4.2
134.03714	1.0
135.04424	0.3
148.01669	0.4
149.02411	1.2
149.99611	0.3
151.00380	5.0
175.04073	1.6
177.01985	0.3
183.04514	0.5
185.02528	0.2
187.03967	0.5
188.04796	0.3
189.05461	0.3
195.04617	0.3
196.45235	0.2
198.03302	0.3
199.04033	2.0
200.04771	0.6
201.02032	0.5
211.04045	1.0
212.04791	0.7
213.05557	0.5
215.03500	0.5
217.05161	0.7
227.03561	1.5
228.04193	0.4
239.03552	0.7
240.04245	0.3
241.05022	0.7
242.05269	0.2
243.02972	0.6
243.20844	0.2
254.86990	0.2
255.02953	1.0
256.03796	3.7
257.04364	0.7
283.02582	0.7
284.03296	55.9
285.04062	100.0
286.04419	7.4
297.04187	0.5
299.02292	0.2
299.05820	0.4
327.05289	0.8
447.09375	65.5
448.09726	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.86204	0.1
63.02399	0.3
65.00332	0.9
67.00031	0.1
73.02938	0.1
83.01387	0.7
85.02962	0.1
95.01375	0.1
105.03453	0.2
107.00737	0.2
107.01402	1.9
114.07066	0.1
115.92080	0.3
116.92875	1.0
120.79065	0.1
121.02937	0.3
133.02966	8.6
134.03311	0.4
149.02452	1.5
151.00383	4.5
152.00706	0.3
169.06546	0.2
171.04546	0.3
175.04010	2.4
185.06125	0.3
197.06123	0.2
198.03232	0.4
199.04002	2.3
200.04420	0.1
201.01938	1.0
207.54991	0.1
211.03973	0.2
213.05594	0.4
215.03513	0.5
217.05038	1.4
218.05359	0.2
223.04140	0.2
227.03519	0.1
228.72147	0.1
229.05167	0.2
239.03493	0.2
240.04175	0.2
241.05093	0.8
242.02104	0.2
243.02994	0.5
243.12376	0.3
255.03001	0.1
256.03693	0.4
257.04562	0.4
267.02982	0.3
281.04987	0.1
283.02316	0.2
284.03299	3.5
285.04068	100.0
286.04407	8.0
447.09381	4.5
448.09818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88300	0.3
59.01377	0.3
65.00314	1.0
67.97825	0.3
69.20549	2.1
70.78386	0.2
73.25932	0.2
77.71113	0.2
83.01402	0.6
93.93920	0.3
105.03401	0.3
107.01422	2.0
107.29922	0.3
133.02971	8.0
149.02454	1.6
151.00381	4.8
152.00690	0.3
154.96906	0.3
171.04587	0.3
175.04039	2.7
185.05962	0.3
189.02229	0.3
197.06053	0.3
198.03271	0.7
199.03990	2.0
201.01952	1.0
213.05655	0.7
217.05077	1.5
223.04036	0.4
241.05058	0.9
243.02998	0.8
256.03821	2.7
257.04443	0.5
284.03296	5.1
285.04071	100.0
286.04434	7.5
355.05627	0.3
447.09354	18.5
448.09683	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	447.0938
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01390	4.8
63.02398	1.3
65.00330	0.9
71.13595	0.4
73.02942	0.6
79.22725	0.4
83.01377	1.5
83.64686	0.3
83.94910	0.5
89.02462	0.8
101.02446	1.0
107.01412	3.0
113.02493	0.4
121.02946	0.7
125.02425	0.4
132.02058	0.5
133.02963	4.2
134.03773	1.1
149.02420	0.9
149.99593	0.5
151.00388	5.2
175.04030	1.3
177.01875	0.5
185.06010	0.6
187.03909	0.5
195.04474	0.4
199.03915	2.1
201.01955	0.4
211.03952	1.3
212.04582	0.7
217.05043	0.8
219.96492	0.4
223.04002	0.4
223.93494	0.4
227.03452	1.6
228.04082	0.4
239.03505	0.6
241.05060	0.8
243.03029	0.7
255.03001	1.3
256.03806	4.2
257.04446	0.9
262.56567	0.4
283.02570	0.9
284.03290	61.5
285.04059	100.0
286.04446	7.3
297.03961	0.6
298.58817	0.4
327.05090	1.3
429.15451	0.4
447.09363	68.9
448.09683	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.8
57.03449	1.2
58.00601	1.2
59.01387	100.0
60.01719	0.9
60.76457	0.4
65.00332	1.4
69.19444	1.2
69.19858	2.5
71.01392	13.5
72.99313	0.7
73.02953	6.8
75.00880	0.8
83.00945	0.5
83.01366	2.4
85.02959	3.0
87.00902	0.7
89.02454	8.3
91.01905	11.3
92.02250	0.7
95.01395	1.0
98.22543	1.0
99.00894	38.3
100.01244	0.6
100.09536	0.4
101.02450	8.6
108.02192	5.4
111.00912	1.5
113.02477	5.2
119.03508	4.1
123.04545	36.4
124.01682	1.2
124.04884	1.0
131.03546	1.0
139.00375	0.6
143.03609	0.7
152.01172	10.1
161.04585	2.7
167.03517	94.4
167.10844	1.2
168.03888	4.3
179.05682	2.7
241.46577	0.5
261.06189	5.7
285.04065	1.3
297.08438	0.9
331.88214	0.5
340.33115	0.5
344.99063	0.5
359.35666	0.5
387.20279	1.0
405.21536	1.2
447.10266	1.5
447.22113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40514	0.5
54.21308	0.5
58.97144	0.6
59.01386	11.5
63.02406	0.9
64.07955	0.6
65.00341	0.7
69.03462	34.8
69.31300	4.5
70.03816	0.9
73.02941	1.1
77.26278	0.7
78.34644	0.6
79.01900	12.1
79.45947	0.7
81.03460	1.4
83.01403	1.4
85.02973	2.2
89.02438	1.1
95.01410	5.5
97.02965	22.7
99.00905	0.6
101.02491	1.1
107.01403	32.5
107.05073	0.8
108.02232	8.1
109.02962	1.5
113.02470	1.4
119.03568	0.8
121.02959	2.0
123.00890	9.5
125.02464	39.7
126.02785	1.2
133.02979	6.3
134.03770	1.0
135.00903	26.9
135.04546	0.7
136.01651	2.2
137.02431	0.8
149.02455	2.4
151.00388	43.2
152.01183	17.5
153.01917	2.9
161.02405	0.9
163.04047	2.7
165.44421	0.6
175.04008	2.0
177.01962	5.3
197.06012	0.9
198.03337	0.7
199.04071	1.4
200.04803	0.7
201.02048	0.7
207.32375	0.6
211.04024	1.1
217.05029	1.0
227.03453	0.9
239.03549	1.3
241.05231	1.0
242.05872	50.9
243.06624	29.7
243.09190	1.1
244.06912	2.3
255.03108	1.1
256.03751	3.9
257.04230	1.1
283.02567	1.1
284.03287	52.0
285.04071	100.0
286.04352	6.9
327.05087	1.5
339.07251	2.1
350.08981	0.8
447.08749	55.9
447.25659	4.4
448.09052	6.0
448.26346	0.9
466.99274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1303
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.50095	0.3
52.49720	0.4
59.01442	1.6
63.02473	0.4
64.50564	0.3
65.00388	1.1
79.31352	0.4
80.02731	0.4
83.01454	0.4
91.01907	16.3
91.14381	0.3
91.41969	0.3
95.01476	1.0
107.01490	0.9
107.05090	0.7
108.02191	20.5
109.02988	4.2
121.03032	0.9
123.00912	5.6
124.01767	0.5
129.42308	0.3
133.03056	1.1
135.00905	13.8
136.01265	0.4
137.02457	3.1
149.02475	0.7
151.00447	1.1
152.01178	18.7
153.01616	0.7
184.15256	0.3
197.06172	1.7
199.03935	0.3
199.07715	0.6
213.05595	1.8
215.07237	0.6
227.03481	0.4
243.06641	100.0
244.06984	7.0
256.03787	1.0
259.93198	0.3
273.02380	0.3
284.03284	13.3
285.04077	21.5
286.04446	1.7
387.10599	1.0
447.09000	13.6
448.09296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27148	0.3
59.01379	1.1
62.96408	1.8
63.02410	0.6
67.21191	0.3
69.49825	1.9
78.95913	47.9
88.13148	0.4
96.96967	3.0
107.01418	1.2
133.02957	2.1
134.03777	0.6
149.00108	23.4
150.00410	0.5
151.00392	1.4
158.92575	2.0
175.04068	0.5
179.01157	3.4
199.03970	0.7
205.15950	2.0
211.04025	0.6
213.05617	0.4
227.03648	0.5
232.97296	0.4
255.03059	0.4
256.03809	1.5
284.00714	0.3
284.03271	22.9
285.04059	36.9
286.04480	2.7
327.05161	0.7
334.97623	0.4
347.08026	0.9
417.12601	1.0
431.10391	3.8
447.13824	100.0
448.14163	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	447.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63932	0.9
59.01389	100.0
60.29609	0.9
61.98840	74.6
66.02743	0.9
70.42992	2.0
71.01390	16.5
72.01735	0.8
72.99292	1.3
73.02950	4.3
80.33188	0.8
83.01377	1.5
83.05019	1.7
85.02954	4.1
87.00896	1.4
89.02465	16.2
93.03467	0.8
95.01402	1.2
95.65824	0.9
101.02457	10.9
101.07207	0.9
113.02458	7.0
119.03497	5.1
125.02422	1.1
126.61057	0.8
127.05154	2.5
131.03569	1.5
133.03038	0.9
143.03534	1.3
145.06236	2.1
148.30420	0.9
151.00410	1.9
153.09158	1.0
161.02475	0.9
161.04559	3.3
166.06361	1.1
179.05646	3.1
207.13849	3.0
225.07747	3.1
225.14963	1.0
284.03357	5.7
285.04065	10.2
387.20267	6.0
429.18091	4.8
447.09323	7.2
447.18643	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	447.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98818	4.0
69.62262	12.1
70.63826	2.2
71.01390	24.0
71.01765	3.0
72.99301	2.5
73.02949	3.8
74.69482	2.2
84.64630	2.1
85.02972	6.5
89.02465	14.9
97.02982	2.1
101.02472	11.2
113.02457	11.1
119.03548	6.9
123.66477	2.2
128.03629	3.0
161.04573	4.6
179.05611	4.3
183.93172	2.4
224.65913	2.4
284.03290	10.9
285.04071	15.0
345.84982	2.2
387.20407	2.8
401.14783	5.6
430.18436	2.1
447.09116	7.5
447.18991	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	447.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.00589	0.6
59.01384	52.8
63.02399	1.6
65.00347	1.2
68.99136	6.2
71.01389	6.3
73.02950	4.8
83.01392	3.3
83.05029	1.2
83.65276	0.5
84.62990	0.5
85.02937	1.8
87.00861	1.0
89.02452	4.8
90.82008	0.5
95.05035	0.6
99.00843	0.6
101.02448	4.9
107.01393	3.5
109.06584	1.0
111.04551	1.1
113.02444	2.4
115.04009	0.5
117.30984	0.6
118.41715	0.6
119.03502	1.8
121.02972	0.9
121.99421	0.6
123.08163	0.8
128.05455	0.5
132.02240	0.7
133.02980	5.3
134.03786	0.9
139.11305	11.9
140.11555	0.8
143.03549	0.6
148.01701	0.7
149.02428	1.5
151.00388	6.6
161.04553	2.6
163.11249	0.8
165.09299	0.7
174.03181	0.7
175.03972	1.3
181.12329	7.6
183.10281	16.1
187.03970	0.8
199.03996	2.1
199.13483	4.2
200.04764	0.7
201.74284	0.6
211.04022	1.1
217.05019	1.3
223.04298	0.6
223.13367	3.3
223.28186	0.6
225.11324	7.0
227.03601	1.5
227.12973	1.1
241.05072	0.6
243.02939	1.1
243.12393	68.6
244.12685	5.5
253.34343	0.6
255.02950	3.6
256.03738	4.3
267.12405	2.4
271.02509	5.4
272.02832	1.0
283.02600	1.0
284.03284	59.7
285.04059	100.0
285.13400	12.5
286.04419	6.8
286.13718	0.8
287.15121	1.1
300.02832	8.4
301.03513	7.2
327.05103	1.5
327.14587	2.2
387.16360	0.8
387.20667	0.9
447.09369	71.9
447.17935	3.8
448.09735	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	447.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.00589	0.6
59.01384	52.8
63.02399	1.6
65.00347	1.2
68.99136	6.2
71.01389	6.3
73.02950	4.8
83.01392	3.3
83.05029	1.2
83.65276	0.5
84.62990	0.5
85.02937	1.8
87.00861	1.0
89.02452	4.8
90.82008	0.5
95.05035	0.6
99.00843	0.6
101.02448	4.9
107.01393	3.5
109.06584	1.0
111.04551	1.1
113.02444	2.4
115.04009	0.5
117.30984	0.6
118.41715	0.6
119.03502	1.8
121.02972	0.9
121.99421	0.6
123.08163	0.8
128.05455	0.5
132.02240	0.7
133.02980	5.3
134.03786	0.9
139.11305	11.9
140.11555	0.8
143.03549	0.6
148.01701	0.7
149.02428	1.5
151.00388	6.6
161.04553	2.6
163.11249	0.8
165.09299	0.7
174.03181	0.7
175.03972	1.3
181.12329	7.6
183.10281	16.1
187.03970	0.8
199.03996	2.1
199.13483	4.2
200.04764	0.7
201.74284	0.6
211.04022	1.1
217.05019	1.3
223.04298	0.6
223.13367	3.3
223.28186	0.6
225.11324	7.0
227.03601	1.5
227.12973	1.1
241.05072	0.6
243.02939	1.1
243.12393	68.6
244.12685	5.5
253.34343	0.6
255.02950	3.6
256.03738	4.3
267.12405	2.4
271.02509	5.4
272.02832	1.0
283.02600	1.0
284.03284	59.7
285.04059	100.0
285.13400	12.5
286.04419	6.8
286.13718	0.8
287.15121	1.1
300.02832	8.4
301.03513	7.2
327.05103	1.5
327.14587	2.2
387.16360	0.8
387.20667	0.9
447.09369	71.9
447.17935	3.8
448.09735	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	447.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37206	0.6
55.01903	0.9
57.03455	1.0
59.01385	100.0
61.98840	5.4
65.00317	0.6
68.91985	0.6
69.03457	0.9
71.01390	17.1
71.26663	1.3
72.99324	1.3
73.02950	5.8
75.00905	0.6
83.01404	3.1
85.02956	4.5
87.00896	1.5
89.02454	14.9
89.02963	1.1
91.01918	2.8
93.03504	0.8
95.01418	1.9
99.00885	9.7
101.02447	11.8
101.03032	1.0
108.02222	2.1
110.02521	0.7
113.02465	8.0
119.03505	5.9
121.03033	1.2
123.04543	8.0
131.03572	1.0
133.06648	0.9
137.24194	0.7
143.03532	2.5
152.01176	2.8
152.02307	0.7
159.08170	0.7
161.04608	3.3
165.05569	0.9
167.03519	21.0
167.10770	1.9
179.05684	3.4
207.10466	1.0
221.06763	0.8
225.07719	1.6
261.06235	1.3
284.03293	3.4
285.03943	6.9
286.04547	0.8
387.20609	1.1
405.21469	0.9
447.09451	3.8
447.18106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72622	0.5
59.01385	100.0
60.01724	1.4
61.98840	9.7
63.02425	0.7
66.06516	0.5
67.78391	0.5
70.38708	0.8
70.39059	1.4
71.01389	6.7
72.99324	0.6
73.02954	0.8
83.01411	1.2
83.10515	0.6
85.02971	1.6
87.00912	0.6
89.02457	11.8
90.02802	0.6
95.01402	0.7
99.00940	0.6
101.02448	4.1
105.04759	0.6
107.01400	1.2
113.02462	3.9
119.03517	4.9
131.03638	0.5
133.02960	3.6
135.00955	0.7
143.03525	0.8
149.02499	1.2
149.04602	0.8
151.00357	3.1
161.04581	1.9
175.03987	0.9
179.05658	4.4
193.52945	0.5
199.04074	1.1
201.02005	0.8
211.04108	0.8
217.04984	0.7
227.03514	1.3
233.84679	0.6
239.03577	0.6
256.03741	2.0
259.05106	0.6
284.03290	32.5
285.04062	55.2
286.04437	3.8
387.20358	1.7
409.84839	0.6
447.09360	37.6
448.09631	4.5
449.27609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
58.58224	0.7
59.01384	100.0
60.01711	1.1
71.01387	6.5
72.99332	1.2
73.02955	5.7
73.38332	0.5
80.08018	0.6
81.75455	0.7
83.01408	1.5
85.02960	1.0
88.62342	0.6
89.02453	3.0
93.29494	0.5
99.00903	1.7
101.02466	4.7
104.03592	1.3
105.01947	13.2
105.02589	1.2
108.02224	0.8
108.78088	0.6
113.02473	3.2
116.03658	0.6
119.03521	1.2
123.04568	1.9
152.01167	1.0
161.04533	1.5
167.03513	5.9
167.10815	1.3
175.79985	0.7
179.05740	0.7
191.05696	1.6
266.42816	0.7
271.26691	0.8
273.04822	0.9
284.03513	1.0
285.04214	1.9
289.02649	0.7
369.59241	0.6
445.60483	0.6
447.10120	0.9
447.22702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01713	0.9
61.98841	1.1
69.52425	3.4
69.52834	1.7
71.01390	6.6
75.87923	0.8
85.02963	1.4
87.50745	0.8
89.02451	7.2
98.46812	0.8
101.02464	3.8
105.72752	0.8
112.61966	0.7
113.02444	3.0
119.03487	3.6
161.04553	2.8
179.05597	1.6
183.17181	0.8
189.12903	2.0
207.13950	0.8
213.56638	0.7
245.94147	0.9
387.20367	2.3
458.16492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02359	0.4
55.09933	0.4
57.03451	1.1
59.01387	38.2
60.01717	0.9
61.01811	0.7
61.98839	100.0
62.73165	0.4
64.26457	0.4
69.19925	3.2
71.01391	7.6
71.05063	0.4
72.99300	0.4
73.02953	2.1
83.01405	0.6
83.84087	0.4
85.02959	2.7
87.00890	0.5
89.02455	6.9
90.02795	0.7
91.02882	0.5
95.01434	0.5
97.02953	0.5
99.00926	1.0
101.02460	5.0
107.01479	0.5
108.12176	0.4
113.02458	3.6
119.03536	2.6
121.03969	0.4
125.02554	0.5
133.03011	1.2
137.09761	1.0
143.03592	0.5
149.02452	0.6
151.00499	0.5
153.09277	0.5
153.12915	0.5
161.04601	2.8
169.97501	0.4
175.04050	0.5
179.05688	0.8
195.13969	0.6
197.15523	0.7
205.12477	0.4
207.13985	1.5
216.69876	0.4
219.04965	0.5
225.14990	11.1
225.17064	0.7
226.13239	0.4
226.15315	0.8
284.03317	4.9
285.04065	15.9
286.04581	1.4
387.20187	7.4
388.20889	0.8
447.09372	5.3
447.22565	1.5
448.10114	0.9
469.74609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00725	0.6
53.54255	0.6
56.30880	0.5
59.01384	100.0
59.25253	0.7
60.01708	0.8
69.07447	0.6
69.07698	2.2
69.08115	3.1
71.01394	6.1
73.02957	6.9
77.67612	0.5
83.01393	1.3
85.02967	1.1
89.02443	3.3
98.21804	1.5
99.23407	0.6
100.89079	0.6
101.02449	5.9
113.02448	3.0
117.09606	0.5
119.03536	1.4
161.04607	1.3
179.05632	1.4
186.88425	0.6
219.41428	0.6
219.44868	0.9
314.51114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11396	0.3
55.01878	0.7
57.03446	0.7
59.01386	20.9
61.98820	1.0
63.02401	1.1
65.00316	1.1
68.53564	0.4
71.01389	9.0
72.99293	0.6
73.02582	0.4
73.02950	3.8
83.01385	3.1
85.02956	3.3
85.06594	1.1
87.00870	1.3
87.74220	0.4
88.12832	0.5
89.02468	2.6
91.01902	0.4
95.01398	0.5
99.00871	1.2
101.02453	6.4
105.03463	0.6
105.13840	0.4
107.01395	2.4
109.02955	0.4
113.02459	2.9
119.03519	1.2
121.02979	0.5
133.02965	4.9
134.03734	0.9
135.00865	0.5
148.01726	0.4
149.02463	1.5
151.00386	5.7
155.14449	2.6
161.04543	1.2
162.40880	0.4
171.10249	0.4
175.03972	1.5
181.16006	0.7
183.04646	0.5
187.03886	0.6
195.04350	0.5
198.03264	0.5
199.03995	1.7
199.13422	5.2
200.04918	0.8
211.03983	1.0
211.13464	0.6
215.03619	0.5
217.05139	0.6
219.25455	0.4
225.15021	1.2
227.03529	1.5
229.14442	0.4
239.03419	0.4
241.05132	0.8
243.03178	0.6
255.03053	1.3
256.03745	4.1
259.88852	0.4
267.02951	0.5
269.04602	0.6
283.02438	0.6
284.03287	55.7
285.04062	100.0
286.04416	7.7
297.03989	0.6
327.05234	0.8
329.23331	3.2
330.23654	1.0
380.55817	0.4
387.20093	4.1
387.23932	0.4
405.21185	6.7
405.25931	0.6
406.21539	0.8
415.11456	0.5
447.09384	63.1
447.22275	24.0
448.03012	0.6
448.09732	8.9
448.15927	0.8
448.22568	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33223	0.4
57.25699	0.4
59.01386	0.9
70.92123	0.8
78.95918	7.2
87.75871	0.4
110.98537	4.7
149.02431	0.5
151.00374	0.5
158.82054	0.5
161.16360	0.5
167.01146	4.0
185.02240	4.0
269.79471	0.5
271.41010	0.4
279.23318	100.0
280.23672	9.2
284.03336	4.1
284.47559	0.5
285.04114	7.0
286.04355	1.0
363.48276	0.5
373.53976	0.4
432.61264	0.5
447.09323	5.6
447.25220	5.6
448.09613	1.1
448.25455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
70.92075	0.4
70.92399	0.5
72.46331	0.3
78.95917	6.2
80.92204	0.3
85.83171	0.3
86.11922	0.3
110.98553	4.8
136.31123	0.4
152.99606	0.3
167.01163	3.1
185.02234	3.3
261.22076	0.8
279.23322	100.0
280.23685	9.2
284.03217	1.9
285.04044	3.1
447.09146	1.7
447.25211	4.8
448.25357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
60.01706	0.8
61.98837	100.0
71.01379	2.4
73.02914	0.9
89.02449	4.3
94.23235	0.7
94.65025	0.7
101.02446	1.2
113.02452	1.4
113.57735	0.9
116.77624	1.0
119.03519	1.5
153.11768	0.8
179.05537	1.3
267.32626	0.9
332.02658	1.0
388.20633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65065	0.4
56.00088	0.5
57.03446	0.8
57.37188	0.6
58.00603	0.5
59.01385	27.3
60.01717	1.7
61.98838	100.0
69.03490	0.6
69.28558	1.2
69.28962	2.2
71.01392	6.9
73.02964	1.8
81.03454	0.5
83.01398	1.1
85.02982	2.0
89.02460	9.3
90.34898	0.4
91.23538	0.5
95.01392	0.6
101.02451	4.1
105.35876	0.5
107.01458	0.5
113.02467	3.2
117.73153	0.5
119.03510	3.5
125.02454	2.9
131.03560	0.6
143.03577	0.8
149.02454	0.6
151.00443	1.7
153.09229	0.6
161.04614	1.8
161.95320	0.5
165.01996	1.5
179.05687	2.0
221.06775	0.8
256.03873	0.5
257.04419	0.7
259.06125	3.9
269.04590	3.4
284.03284	3.5
285.03876	10.6
286.04395	11.0
287.05576	2.3
287.18747	1.4
448.09720	8.1
448.15472	0.6
449.10748	3.2
449.24423	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21792	0.4
59.01388	21.4
60.01722	1.5
61.98839	100.0
70.60610	0.6
70.60960	1.2
71.01392	7.6
72.01733	0.4
72.69172	0.5
72.99303	0.6
73.02968	2.7
83.01390	0.6
85.02996	1.4
87.00895	0.7
89.02458	7.0
101.02452	4.1
113.02489	1.9
119.03556	1.6
131.96632	0.5
161.04604	1.8
179.05695	1.4
196.40393	0.6
222.29568	0.6
266.85822	0.5
273.98422	0.6
285.03937	1.5
286.04446	1.6
287.18954	0.7
361.16483	0.7
388.20746	0.8
448.10049	1.5
449.20154	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89693	0.4
55.88338	0.5
57.03460	1.2
59.01386	23.8
60.01715	2.6
61.98837	100.0
69.05253	5.0
71.01392	4.6
73.02938	1.1
83.01421	0.8
85.02991	1.9
85.62617	0.5
89.02436	2.5
90.02842	0.5
91.64558	0.5
101.02460	2.6
113.02505	2.1
119.03544	1.9
137.09753	0.7
138.10030	0.5
159.03113	0.6
161.04572	2.7
162.04910	0.8
179.05717	0.9
195.13956	0.8
197.15573	0.6
198.15854	0.6
225.15018	7.2
226.15335	9.9
226.17366	0.8
227.13266	0.6
285.03940	0.8
287.15155	1.6
388.20477	1.3
449.24136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98835	65.1
69.97055	41.5
71.01389	36.2
72.71134	15.1
88.66051	14.2
89.02462	22.1
101.02472	16.4
113.02503	12.0
125.02503	24.7
132.03403	11.7
148.33829	12.9
150.22928	11.9
150.87862	13.0
166.98071	12.0
189.46632	12.1
341.04044	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	448.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53405	12.0
59.01378	68.5
69.17880	100.0
69.18222	19.7
71.01383	21.5
89.02460	21.1
123.04562	14.7
137.31923	11.5
141.85875	10.7
151.96034	11.2
168.29813	12.9
181.82153	11.8
191.52663	10.8
200.88358	13.7
220.55078	12.9
297.41519	17.2
361.48245	12.8
404.37268	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	449.1096
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.73164	0.4
53.80696	0.4
57.03479	0.4
59.01388	3.0
63.02396	1.5
65.00334	10.6
69.20659	3.0
70.03435	0.4
71.01358	0.6
80.33057	0.4
83.01387	5.3
85.02920	0.4
89.02439	0.7
93.03459	0.6
101.02444	0.6
107.01405	16.8
108.02200	0.7
109.02973	1.2
113.02444	0.5
124.07702	1.1
125.02463	3.8
134.03777	1.2
135.04543	74.8
136.01627	0.3
136.04861	2.4
151.00386	100.0
152.00740	4.0
161.02504	0.8
164.01187	0.8
165.02022	0.8
169.01453	1.1
177.01915	1.0
199.03970	0.4
225.05658	0.4
227.13014	0.7
262.50711	0.4
264.66147	0.4
285.04086	0.5
286.04236	1.0
287.05646	72.2
287.14160	2.1
288.05951	6.1
297.09839	1.4
324.57388	0.4
448.12872	0.4
449.10886	20.4
450.11050	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73183	0.5
51.04448	0.4
57.03448	0.4
59.01376	3.2
63.02419	1.9
63.07866	0.3
65.00332	10.9
69.11469	1.4
69.11892	1.9
71.01380	1.2
83.01402	5.5
89.02450	0.6
91.23519	0.3
93.03488	0.5
101.02493	0.9
107.01406	18.4
108.01671	0.4
109.02986	1.6
113.02489	0.5
124.07721	1.2
125.02454	4.1
134.03767	1.3
135.04544	73.7
136.01698	0.9
136.04865	2.8
149.04343	0.4
151.00389	100.0
152.00713	4.3
159.04514	0.4
159.72630	0.3
161.02483	1.0
164.01173	1.1
165.01974	0.5
169.01448	1.2
177.01939	0.6
194.71768	0.3
196.00375	0.5
269.04633	0.5
281.09344	0.5
285.04004	1.0
286.04257	0.6
287.05649	73.0
287.14343	1.5
288.05948	5.8
297.09839	1.4
312.72665	0.4
333.55188	0.4
375.14038	0.4
449.10907	18.9
450.11298	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	449.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01380	37.5
62.21611	1.5
71.01394	18.9
72.99303	3.4
73.02976	2.0
75.00881	29.4
83.01372	2.6
85.02946	15.0
85.06601	5.7
87.00906	4.6
89.02447	10.5
92.74586	1.8
93.03497	4.3
95.01402	2.5
99.00901	5.5
101.02454	6.9
102.50319	1.6
103.53664	1.7
107.01447	1.7
111.00943	1.5
113.02460	13.7
117.01934	3.9
118.03016	1.6
119.03618	1.7
133.03061	1.6
134.06096	2.0
135.03009	100.0
136.03363	2.9
143.44473	1.6
151.00433	2.1
156.78780	1.7
159.05603	2.5
173.04507	1.8
175.02516	1.6
179.38235	1.5
180.06699	2.9
185.99306	1.7
191.05734	2.5
199.13423	6.0
212.10840	3.5
214.82877	1.7
231.05209	1.7
239.08218	3.3
240.08995	5.7
249.06310	11.7
255.11414	30.8
256.11737	3.1
265.06168	2.8
267.07245	5.0
269.91159	1.6
281.09332	92.8
282.09711	8.0
284.03275	2.0
285.03922	6.1
286.04108	6.4
287.04675	7.2
324.20264	1.6
325.34036	1.5
449.04501	2.0
449.10101	10.3
449.20221	36.5
449.27481	5.2
450.20627	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	449.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71416	2.8
55.40969	2.8
58.00598	4.3
59.01386	100.0
60.01704	3.6
61.01835	6.7
61.98835	47.2
63.26701	3.7
66.86185	3.1
69.42871	21.0
71.01394	37.2
72.98288	3.2
72.99312	3.0
73.02956	6.6
79.18214	3.0
83.01361	4.1
84.31180	3.0
85.02975	7.3
87.00877	4.6
89.02449	35.0
98.91748	3.4
101.02456	19.4
103.01809	3.4
113.02466	6.5
119.03539	11.4
125.02465	10.4
145.01491	3.4
151.00435	3.9
161.02393	4.0
161.04544	8.6
179.05692	7.5
259.06119	5.7
269.04587	7.3
285.03928	3.7
286.04102	6.3
287.04916	9.7
337.11533	3.9
449.10181	14.5
449.23795	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	449.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36504	0.6
59.01386	100.0
60.01714	1.5
60.18390	0.6
69.23546	5.0
88.07607	0.5
88.29973	0.6
96.75935	0.6
99.86989	0.5
105.21143	0.6
120.99754	0.7
131.31897	0.6
149.02470	4.2
164.04819	9.1
165.05603	2.0
179.07166	18.2
180.07520	0.8
194.05917	1.4
195.34790	0.7
227.09285	9.3
392.75656	0.7
414.23639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01714	1.3
67.65455	0.6
67.82952	0.6
69.29441	3.0
69.29857	1.3
71.01381	0.9
96.96028	0.8
98.22637	0.6
137.02486	2.6
158.52943	0.6
159.56261	0.6
169.96901	0.6
179.03511	10.5
194.05843	11.8
195.06357	0.7
209.08192	12.0
209.09978	0.8
210.08536	0.7
227.09273	12.1
292.16006	0.7
363.07928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37213	0.6
59.01385	100.0
60.01714	0.9
66.83930	0.5
67.68291	0.6
69.50342	3.1
98.21840	0.8
137.02466	4.5
139.97400	0.5
141.22662	0.6
152.04846	1.3
153.05579	3.9
184.03766	1.0
197.04597	0.8
212.06918	6.6
227.09264	19.5
228.09618	1.4
270.97998	0.6
422.03278	0.8
448.01498	0.6
448.69028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54157	1.6
59.01394	1.6
59.59823	1.7
61.43850	1.7
83.48094	1.4
84.04540	2.6
85.04092	2.6
94.01868	1.6
96.96032	8.8
102.05598	4.0
104.42625	1.9
111.05631	1.7
113.03603	8.1
123.05673	3.1
141.06731	100.0
142.07004	3.4
153.10338	5.1
154.06252	4.7
167.04657	4.7
180.11632	2.0
186.07979	3.0
203.08124	2.5
214.07520	22.2
215.08246	13.8
217.09769	3.3
243.15013	9.2
246.12540	4.6
259.10861	2.5
271.14572	41.2
272.14929	2.5
310.15671	2.2
339.18472	3.4
369.23059	5.1
413.22009	91.2
414.22424	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	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01384	83.1
61.98842	1.1
69.00444	7.2
69.70870	0.7
71.01390	6.9
73.02957	3.9
82.29679	0.6
83.01405	2.8
85.02965	2.9
89.02457	4.3
95.01449	1.0
99.04561	2.5
101.02459	4.8
113.02471	3.9
118.89242	0.6
119.03500	1.1
129.01964	0.9
161.04646	1.6
165.12846	0.8
169.12350	0.9
172.43405	0.7
179.05627	0.7
184.82141	0.8
191.05562	1.4
207.13948	5.5
209.11865	7.1
225.14980	7.3
227.12907	39.3
228.13239	2.6
251.12984	2.0
269.13995	12.4
270.14520	0.9
285.03552	0.9
286.04245	1.0
287.15036	100.0
288.15356	8.9
293.14026	1.2
311.15118	1.3
329.15988	4.7
358.60712	0.8
358.77844	0.8
359.17096	1.7
389.18179	4.2
405.52243	0.9
449.10263	1.4
449.19891	5.0
450.27216	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	449.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.16181	0.4
57.03430	1.8
58.00566	0.7
59.01385	53.6
60.01705	0.5
60.29256	0.4
60.99281	0.6
61.98814	0.9
63.02383	1.7
65.00317	1.8
65.79424	0.5
67.65685	0.5
68.78736	0.4
69.18371	0.5
69.18792	2.9
71.01392	12.1
71.07485	0.4
72.99306	1.4
73.02939	1.2
83.01390	2.5
83.05096	0.4
85.02956	2.7
87.00848	0.6
89.02454	9.8
95.01376	1.2
99.04528	4.8
101.02461	6.0
105.03398	0.6
107.01402	3.4
108.01719	0.9
109.02964	0.6
113.02464	3.9
119.03516	4.1
121.02947	0.7
133.02956	4.1
134.03352	1.5
135.03595	0.8
135.04535	5.6
149.02409	1.6
149.99516	0.6
151.00388	13.4
152.00742	2.4
152.03497	0.8
153.00844	2.1
161.04529	0.7
165.12865	2.3
175.00337	0.6
175.03958	1.3
176.04324	0.7
179.05511	0.7
189.05478	0.5
189.12831	1.0
199.03990	1.6
200.04420	1.0
201.04703	0.5
207.13924	5.2
208.14162	0.7
209.09866	0.8
209.11855	15.6
210.12154	0.8
211.04057	0.9
212.04366	1.0
213.04640	0.5
217.05055	0.8
225.15005	7.3
227.03561	1.4
227.12897	7.0
228.03996	0.7
229.04155	1.3
251.12903	3.6
256.03748	3.3
257.03976	2.0
258.04425	3.7
269.13968	51.2
270.14304	3.8
284.03290	27.2
284.99374	0.7
285.03922	59.9
286.04102	77.9
287.04614	80.7
287.15021	23.8
288.04849	4.9
288.15466	1.4
311.14780	0.5
329.05804	1.3
329.16245	1.5
389.18274	1.2
431.19122	0.6
449.09979	100.0
449.19867	32.5
450.10291	8.1
450.20499	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	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.2
57.03448	4.5
57.48933	1.1
58.00579	4.8
59.01384	100.0
60.05136	0.8
61.01794	1.7
61.98822	1.2
65.97476	1.0
66.44212	1.0
68.19598	0.9
69.03451	1.2
69.81049	1.1
71.01390	68.2
71.05011	1.0
72.01740	1.2
72.99304	4.3
73.02956	11.5
83.01394	4.9
83.05048	2.9
85.02962	20.5
86.03224	1.3
87.00896	10.2
87.04529	7.3
89.02454	68.5
95.01389	4.4
97.02953	2.5
98.22568	1.9
99.00895	4.1
101.02457	40.4
101.03132	2.4
101.06091	3.4
113.02465	27.3
119.03515	27.0
121.10258	6.9
125.02469	2.9
129.01945	1.3
131.03537	11.1
135.04475	1.2
143.03491	4.2
149.04614	1.7
151.00348	1.3
159.02950	2.3
161.04585	19.9
163.11307	6.5
179.05652	6.9
221.06686	22.1
239.16499	1.9
251.16551	3.9
259.06049	3.5
269.17526	1.6
287.05756	1.0
287.18509	3.9
347.02982	2.4
389.07672	2.1
431.22803	2.0
449.19382	3.1
449.23962	6.9
450.24512	1.7
468.79050	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	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80430	1.0
55.01871	1.4
56.70903	1.1
57.03442	4.1
58.00587	2.9
59.01387	100.0
59.59157	1.3
60.01710	3.1
61.01815	2.3
61.98837	30.4
65.00321	4.3
68.74400	1.0
69.24793	8.3
71.01391	49.7
72.01718	1.4
72.99313	3.6
73.02579	1.3
73.02954	13.0
80.80226	1.1
83.01392	7.0
85.02971	12.8
86.00092	1.2
87.00882	4.8
89.02458	58.4
90.02818	2.0
95.01392	2.6
98.22527	2.4
99.00922	2.6
100.00238	1.0
101.02456	29.8
101.06087	2.5
102.02797	1.1
107.01376	6.8
109.03017	1.1
113.02470	22.3
119.03519	23.4
125.02448	2.5
131.03517	3.4
132.73920	1.1
133.10262	2.2
135.03014	1.4
135.04547	27.6
136.04924	2.2
143.03503	3.9
149.04544	2.6
151.00385	46.5
151.11337	1.1
152.00694	1.5
159.04448	1.3
159.06735	3.3
161.04579	15.1
163.11284	3.4
179.05634	13.6
227.13033	1.9
233.29604	1.1
249.09801	2.2
269.13892	1.8
283.41153	1.3
286.03998	1.6
287.05646	38.1
287.15082	3.9
287.18677	8.1
288.05960	2.7
331.17847	1.1
384.28867	1.2
388.62518	1.2
431.23022	1.7
449.10379	4.5
449.24402	17.9
450.24283	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	449.3277
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate
Peak:m/z	Relative Intensity
50.19672	1.1
57.03418	1.0
59.01389	4.0
59.67137	1.0
61.98827	1.5
70.99697	1.8
71.00031	1.7
71.01381	2.0
83.05032	1.1
129.31966	1.0
147.73872	1.2
152.99641	1.3
164.83577	1.1
178.23035	1.1
283.44931	1.1
285.04007	3.0
286.04160	3.1
287.04727	3.8
317.65146	1.5
329.20282	1.3
347.71753	1.2
377.30557	2.7
387.32678	6.8
388.33261	1.3
405.33786	49.8
406.34030	5.1
449.10034	5.0
449.32837	100.0
450.33112	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	450.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61200	0.6
59.01385	5.6
61.98837	100.0
69.57226	1.0
69.57638	2.6
71.01386	2.0
73.02963	0.7
75.59412	0.6
78.34015	0.7
83.61397	0.7
85.02967	0.8
89.02471	0.9
98.21690	0.7
101.02473	1.4
110.15566	0.7
113.02489	0.8
116.92910	0.8
117.92908	1.5
122.06137	5.5
152.07201	11.0
158.02510	0.8
190.05101	5.7
222.07736	5.2
277.56677	0.8
352.39279	0.7
385.54828	0.6
387.15625	17.7
387.20251	1.0
388.15967	1.7
449.57596	0.7
451.21542	1.0
451.29181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.2
60.01748	2.1
61.01812	2.5
61.98838	100.0
65.66734	1.5
69.66336	7.5
70.04614	1.6
71.01412	9.6
72.01726	1.8
75.00922	1.5
82.87030	1.8
83.67462	1.7
84.87454	1.7
85.02946	2.8
89.02471	11.1
92.71286	1.6
101.02462	7.3
110.16926	1.7
113.02461	2.7
113.35477	1.9
117.37549	1.9
119.03585	2.4
131.03520	3.6
149.04552	5.2
156.29062	1.8
161.04549	2.3
164.97467	1.6
174.77863	1.7
191.05695	2.5
201.52510	1.6
387.16592	2.5
430.78464	1.8
433.21143	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14659	2.0
53.44375	1.9
54.76392	1.8
59.01386	92.9
60.01720	11.7
61.01810	11.9
61.98838	100.0
65.55799	1.6
69.48322	2.9
69.48737	6.6
71.01386	20.5
72.01723	2.0
72.99309	2.0
73.02957	4.7
74.56448	1.6
75.00892	2.6
79.80610	1.6
85.02975	5.0
87.00899	1.9
89.02455	20.3
90.02784	3.3
91.02876	1.9
99.04578	1.7
101.02454	12.6
102.02781	2.1
109.06615	2.1
113.02450	6.2
114.02849	1.8
119.03529	4.9
131.03526	3.5
135.03072	1.9
149.04510	2.6
155.10789	3.9
155.91231	1.7
161.04605	3.5
171.10272	1.8
179.05574	2.6
191.05629	2.6
192.72803	1.6
209.88324	1.6
257.14111	1.8
333.15613	4.6
336.37018	1.7
390.21225	4.2
443.04495	1.9
450.23309	20.9
451.17764	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.0
61.98837	100.0
69.12020	2.4
69.12437	1.6
71.01393	8.1
71.01762	0.8
73.02963	1.1
83.01413	1.0
84.79317	0.4
85.02979	2.1
89.02451	7.5
95.00580	0.4
95.01402	0.7
99.00903	0.7
101.02454	5.1
107.88194	0.4
113.02467	3.3
119.03520	2.4
127.83134	0.5
143.03590	0.8
161.04642	1.9
173.67183	0.5
179.05666	2.6
288.15414	0.6
289.20361	1.9
343.56268	0.5
390.21582	0.5
400.40219	0.4
407.04865	0.4
407.87396	0.4
451.25919	2.9
458.68521	0.4
464.34714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25087	0.7
59.01387	3.3
61.98826	0.8
65.73602	0.7
69.03460	0.8
69.07925	0.8
69.58567	3.7
71.01396	1.3
73.02975	0.7
74.43877	0.8
78.95911	1.3
79.95745	1.5
85.02962	7.6
87.00894	2.3
89.02480	0.8
93.03477	2.6
96.96025	61.3
99.92603	2.4
103.18321	0.7
104.85182	0.6
111.04557	1.4
115.92123	3.7
116.37854	0.7
116.92854	3.9
118.96729	0.8
123.00887	0.7
125.02454	0.7
127.04020	1.4
133.03017	3.6
134.03767	1.9
135.04546	1.2
137.02486	2.2
142.96631	2.3
160.97739	2.2
161.02484	2.0
166.42323	0.8
173.04538	2.0
177.01979	0.9
178.02754	2.2
179.03564	1.8
182.99812	0.8
184.97688	9.6
185.62325	0.7
191.05644	100.0
192.06012	3.9
199.02930	0.8
200.10779	0.7
200.97284	0.7
202.98799	11.1
203.97369	0.8
205.98994	1.1
208.95551	0.9
210.97363	0.9
210.99261	2.7
212.97224	1.6
215.95219	1.2
216.96175	0.7
216.98201	10.4
231.96982	1.3
232.95506	0.8
234.99323	5.2
246.97403	0.7
248.97249	5.9
258.99329	2.0
260.97235	1.4
271.01373	1.3
275.02368	1.2
277.00220	1.5
278.96024	1.2
285.00787	1.0
286.98712	1.4
289.02484	19.7
289.05515	1.3
290.02805	1.0
304.99777	1.8
306.07510	2.9
333.01556	0.8
353.08881	9.4
354.09030	0.8
374.59555	0.7
375.06842	1.0
389.01910	1.2
391.03513	5.3
409.04547	3.5
423.02716	1.1
451.05646	27.4
452.06033	2.9
453.03357	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82367	1.3
55.01891	1.9
58.00606	2.3
58.88893	1.4
59.01386	100.0
60.52979	1.3
61.98838	3.5
69.03470	1.5
70.85126	1.3
71.01391	60.6
71.27050	1.6
72.99330	2.0
73.02951	66.0
75.72151	1.3
80.63980	1.4
83.01396	17.2
85.02970	6.4
85.99263	1.3
89.02453	9.0
95.01406	1.5
97.02940	1.6
99.00906	2.1
101.02461	55.6
111.00894	1.7
113.02469	13.5
119.03561	2.3
125.02507	2.7
131.03531	4.5
143.03520	3.4
145.03009	1.4
155.03543	2.6
159.08176	87.5
160.08543	4.4
161.04576	9.2
185.09761	7.5
229.08714	63.7
230.09023	4.7
421.14334	1.6
451.22159	2.6
451.28952	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	451.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39167	1.0
55.01888	6.2
57.03446	3.7
58.00599	3.0
59.01388	100.0
60.01720	1.6
69.03449	2.0
69.03801	0.9
71.01392	64.3
72.01724	1.6
72.99312	4.3
73.02958	17.8
75.00881	2.9
79.28613	0.9
81.03475	1.6
83.01402	10.7
85.02962	22.7
87.00880	3.6
89.02457	45.8
91.52997	0.9
95.01392	4.6
97.02986	2.5
98.21774	3.9
98.67918	1.0
99.00893	5.4
101.02456	59.4
103.03992	1.6
113.02471	40.1
114.02824	1.1
114.61096	0.9
116.56218	0.9
119.03524	18.8
121.62469	0.9
125.02446	3.8
131.03531	3.8
135.03015	7.8
135.04549	4.0
143.03514	5.8
149.04619	2.7
151.00375	3.8
152.00739	1.7
153.00873	1.8
155.03537	3.9
159.03006	2.1
161.04587	16.1
175.11504	0.9
179.05653	10.0
193.82143	0.9
203.05655	3.4
229.03276	1.1
229.58635	1.3
247.11954	2.9
288.06046	1.4
289.06290	3.2
289.12933	2.2
289.20261	11.4
409.17188	27.5
410.17484	2.0
451.12576	1.1
451.18637	3.0
451.25549	37.9
452.25867	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	451.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91608	0.9
57.03439	6.1
59.01386	100.0
60.01696	2.6
60.90234	0.9
61.98819	4.0
70.03278	0.9
71.01389	17.1
71.28022	1.6
72.99297	3.7
73.02934	2.7
74.89334	0.9
75.00888	15.6
79.79129	0.9
81.03426	0.9
83.05037	5.3
85.02962	6.7
87.00878	4.2
89.02449	14.9
90.02760	0.9
93.03445	1.2
95.01360	1.8
95.05036	1.1
96.96001	3.1
97.06583	3.8
99.00878	2.7
99.04545	8.8
101.02449	9.3
107.05020	1.7
110.03730	1.6
113.02468	5.0
115.92128	1.4
116.92850	2.4
119.03489	3.6
123.08202	5.4
125.06088	19.3
126.06374	1.3
126.59830	0.8
129.01927	3.3
131.03496	1.3
135.03000	5.7
141.09216	1.2
147.03030	10.3
159.10233	1.0
161.04527	1.9
163.11272	4.2
165.04082	15.0
165.09180	2.5
167.07135	5.3
179.05568	2.3
181.12434	2.6
185.08209	17.9
191.05598	1.4
195.96684	1.1
207.10307	2.0
223.13371	2.0
225.11314	13.5
241.14372	2.6
243.12386	14.1
257.07983	1.0
267.12332	1.0
271.10925	1.7
271.15485	1.1
285.13474	7.0
289.20096	1.5
303.14526	68.9
304.14807	6.2
333.19116	1.2
433.17123	3.2
451.18152	83.2
451.24777	3.2
452.18469	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	451.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.1
57.03453	3.0
58.00603	2.2
59.01386	100.0
61.98837	3.0
68.61294	1.6
69.12674	4.7
69.13081	8.2
71.01392	46.9
72.99330	3.5
73.02974	5.8
76.72036	1.4
83.01427	2.5
83.05044	3.6
85.02965	14.8
87.00916	4.5
89.02457	61.5
95.01428	5.0
95.05045	2.1
99.00945	2.3
101.02456	25.9
113.02466	22.5
119.03520	26.7
120.03941	1.8
124.78602	1.5
125.06122	2.6
131.03545	2.5
131.28581	1.5
143.03548	2.9
149.04626	3.3
151.04120	1.9
153.09232	3.0
161.04616	5.9
171.10344	5.8
179.05637	12.7
185.08214	1.8
195.06740	1.7
225.11401	1.7
243.12416	1.9
253.60895	1.9
271.15723	2.2
289.20233	30.1
289.23154	2.1
303.14587	10.6
333.15857	4.0
407.14651	1.8
451.18655	6.4
451.25931	57.6
452.26419	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.34304	40.3
69.34713	58.5
71.01394	53.2
72.98946	15.7
73.02953	18.2
81.29202	15.6
85.02934	17.2
85.49440	14.2
87.41257	14.2
89.02446	91.7
89.90663	16.6
101.02454	31.6
113.02480	23.4
118.78246	16.4
119.03560	30.7
137.73419	17.1
161.04544	30.5
163.97122	13.7
174.41904	14.2
179.05647	32.5
451.21967	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.7
55.24396	0.6
57.03451	3.3
58.00586	2.7
59.01384	83.3
60.01709	1.3
61.98824	2.1
71.01391	66.6
72.01740	1.1
72.99316	5.2
73.02952	25.3
75.00880	18.4
83.01400	6.1
85.02962	23.2
85.98777	0.7
87.00877	3.4
87.04510	2.2
89.02452	47.2
95.01398	4.3
99.00893	5.2
100.05929	0.6
101.02451	38.3
102.02822	1.4
103.04018	3.5
111.00878	0.8
113.02464	21.8
114.02792	0.7
117.01942	1.4
119.02682	1.0
119.03516	19.4
123.00794	0.7
125.02481	1.1
129.01947	0.8
131.03540	2.3
135.03014	58.2
135.11824	0.6
136.03345	1.3
142.75656	0.7
143.03484	3.9
147.11801	2.1
149.04591	3.1
150.82169	0.7
155.10881	0.8
159.02994	2.6
161.04576	11.7
167.03465	1.1
179.05618	6.5
201.15028	1.0
289.20233	28.1
290.20532	2.1
323.98846	0.8
333.15475	1.1
409.16956	1.1
451.25528	100.0
452.25806	10.9
452.31622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11927	1.0
57.03450	2.1
58.00590	5.1
59.01385	100.0
62.32650	1.1
65.98789	1.0
67.41508	1.1
69.14135	9.0
71.01391	57.0
72.99313	3.8
73.02945	5.6
73.40074	1.3
75.00871	1.3
76.26859	1.3
79.79240	1.2
83.01389	3.8
83.05027	2.0
83.62369	1.0
85.02958	14.4
87.00880	3.7
87.04536	3.3
89.02454	74.6
95.01411	4.3
96.61600	1.1
96.96011	1.2
98.22613	2.0
99.00927	1.3
101.02455	37.5
101.06144	1.2
113.02454	21.6
119.03513	33.0
131.03494	2.8
143.03522	4.3
149.04602	1.7
152.75226	1.1
161.04553	7.7
171.10301	7.4
179.05646	13.9
183.13972	1.3
201.14879	1.3
206.76581	1.2
219.83176	1.1
273.17096	1.5
287.18649	1.5
289.16953	2.7
289.20227	55.5
290.20639	5.2
303.14407	1.7
405.21329	2.0
451.25552	98.7
452.25879	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
56.39108	0.8
56.99829	0.9
57.03434	3.4
58.00589	2.8
59.01384	73.7
60.01712	1.1
61.98850	7.5
71.01389	64.5
72.01717	1.2
72.99313	4.4
73.02532	1.1
73.02952	22.6
75.00879	11.9
83.01385	5.0
85.02957	20.7
87.00895	4.4
87.04523	2.8
89.02456	46.7
89.53622	0.8
90.71106	0.8
95.01403	5.4
95.64343	1.1
98.22519	2.4
99.00892	3.5
101.02452	34.4
103.04024	4.4
105.96312	0.9
113.02460	23.6
117.01928	1.7
119.03519	15.2
121.31767	0.9
127.02772	0.9
129.46107	0.9
131.03517	2.0
135.03011	39.5
143.03499	4.0
147.11833	2.8
149.04562	3.0
155.10834	1.6
159.03006	2.0
161.04570	11.9
167.03520	2.8
179.05637	6.4
191.05685	1.2
196.75494	0.9
201.15030	1.1
289.20227	31.1
290.20724	2.1
451.25586	100.0
452.25909	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	451.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
57.03453	3.4
58.00597	4.6
58.24684	1.1
59.01385	100.0
60.01708	1.3
61.98837	11.2
63.16993	1.2
69.18110	4.0
69.18536	5.0
71.01392	77.6
72.99311	5.4
73.02955	22.8
81.10196	1.1
83.01398	6.4
85.02956	20.0
87.00895	3.0
87.04521	2.8
89.02458	83.6
90.02799	1.6
94.37835	1.0
95.01392	4.1
97.02997	1.0
99.00903	3.3
101.02457	47.6
101.03133	2.3
102.76492	1.1
103.04033	4.5
113.02467	32.6
119.03516	39.9
119.04364	2.5
125.02489	1.3
131.03496	4.2
135.11797	1.1
143.03526	7.6
147.11810	3.6
149.04572	4.6
161.04579	15.0
179.05629	19.9
199.53355	1.3
249.16740	1.2
289.20264	42.1
290.20624	3.2
375.49548	1.1
432.86029	1.1
442.73877	1.1
451.25589	52.3
452.26019	4.8
457.27484	1.1
457.42337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35384	0.9
55.01878	2.4
57.03455	3.8
58.00602	4.1
59.01387	100.0
60.01725	1.2
61.98855	1.9
66.67692	1.0
69.46295	6.2
71.01392	53.0
72.99312	3.9
73.02949	4.8
75.00895	1.4
82.96422	0.8
83.00950	0.9
83.01414	3.3
83.05022	1.6
85.02963	14.6
87.00902	4.1
87.04559	2.8
88.13196	0.9
89.02457	68.9
90.02787	1.2
95.01405	3.6
99.00887	2.0
99.04537	1.6
101.02458	33.4
102.02812	1.2
113.02463	25.4
119.03513	32.5
125.06128	1.7
131.03554	3.2
134.26096	1.0
135.03024	1.2
143.03531	5.8
149.04617	2.5
159.10361	1.0
161.04608	7.8
165.04070	1.2
171.10257	7.2
179.05634	15.6
185.08217	2.5
243.12474	1.1
250.00400	0.9
271.15576	2.1
287.18634	1.3
289.16959	1.9
289.20230	40.4
290.20651	3.7
303.14566	5.9
366.32584	0.9
451.25687	97.9
452.25916	11.1
465.11395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2706
Annotation	Briarellin P
Peak:m/z	Relative Intensity
57.03438	5.2
59.01387	42.7
69.89459	3.7
69.89870	2.7
73.02946	2.1
85.02953	5.5
88.00520	1.5
109.06590	2.6
143.07118	2.8
208.56396	1.5
238.13855	1.5
243.17485	4.0
256.93399	1.6
303.16147	3.6
303.19684	73.6
304.20093	7.4
317.17368	2.4
319.22812	81.6
320.23129	9.0
337.23721	1.9
389.26770	2.8
407.28198	2.5
451.27008	100.0
452.27359	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	451.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51399	0.2
58.02974	0.6
59.01380	1.5
59.72821	0.2
69.06201	0.7
69.06616	1.0
71.01383	0.7
80.05065	0.5
81.03465	10.0
83.05035	28.3
84.05373	0.6
85.39906	0.2
89.02444	0.3
89.86781	0.2
98.21741	0.4
100.07693	0.4
101.02467	0.3
107.06171	0.8
108.04552	1.1
113.02531	0.2
125.07218	3.3
126.05614	0.4
143.08282	1.8
161.64641	0.2
207.15047	3.1
208.13445	0.3
224.17688	4.3
225.16100	12.4
226.16447	0.7
242.18871	1.6
250.15645	0.5
287.15054	0.2
289.15591	0.3
307.24048	0.4
309.21857	0.5
324.26596	2.2
333.22937	4.3
334.23300	0.3
341.29129	0.3
351.24170	0.9
364.53680	0.2
367.27127	1.4
386.86600	0.2
433.31891	5.4
434.32190	0.9
451.32938	100.0
452.33234	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	452.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98814	11.0
71.01372	29.6
71.27968	10.9
73.02934	14.5
85.02943	12.2
89.02451	10.8
93.03474	6.8
99.00934	7.0
101.02454	16.4
116.14108	9.3
121.02977	9.6
123.02710	8.3
137.29906	10.1
147.54575	8.1
154.20581	8.4
178.29761	7.6
231.14111	13.2
249.27798	8.7
261.30536	8.8
285.04053	9.0
297.97894	9.7
298.04382	10.7
374.14053	8.9
453.30112	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	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
62.96405	0.3
68.61172	0.2
69.76543	0.9
74.92907	0.2
78.95912	20.4
87.49831	0.2
98.22456	0.2
122.00161	0.9
134.98552	0.3
140.01204	5.1
152.99608	2.2
171.00610	0.2
196.03821	9.8
197.04121	0.2
214.04854	2.2
255.23315	100.0
256.23672	8.2
452.27850	21.7
453.28204	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	453.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
61.98838	3.0
71.01392	2.9
71.25925	1.8
79.65494	1.5
83.01413	1.9
85.02996	4.1
91.21667	1.7
96.96043	5.9
98.95605	6.5
99.00863	2.0
99.91962	1.4
99.92601	34.3
99.93214	3.0
100.92680	2.2
100.93381	2.5
101.02457	2.7
115.92096	52.6
116.92131	3.4
116.92896	8.9
133.02995	2.0
134.03769	10.3
135.04552	20.2
161.02493	2.6
165.01926	2.2
175.11479	2.0
179.03534	9.0
183.06656	2.4
191.05608	12.2
192.05959	2.9
193.06064	2.1
193.21587	1.6
210.97096	2.0
214.43695	2.1
215.95209	3.9
216.95996	4.0
217.96765	14.0
218.97566	47.0
219.94833	2.3
219.97641	4.1
234.97128	2.1
244.95659	2.1
261.95792	4.6
262.96542	100.0
263.96753	9.7
294.95343	2.5
307.08270	1.6
373.00388	10.1
391.01273	33.8
392.01419	4.5
453.06268	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	453.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93674	0.8
55.01888	0.8
57.03435	1.0
58.99612	17.1
59.01387	10.2
69.32975	5.0
71.01392	14.9
73.02954	5.4
74.99097	0.9
75.67406	0.7
83.01395	1.6
85.02969	5.4
87.00891	23.6
89.02461	5.2
95.01393	1.0
99.00908	1.1
101.02445	7.4
102.98608	100.0
103.99024	1.3
113.02467	6.7
119.03506	1.5
120.99662	0.9
139.11293	8.2
142.42047	0.8
153.09286	0.9
156.64163	0.8
159.03014	1.5
161.04596	8.0
179.05591	1.2
188.86142	0.8
203.11058	0.9
205.07138	1.1
231.13928	1.4
235.51575	0.9
249.06187	14.0
283.04956	98.4
284.05331	5.5
453.18994	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	453.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95021	11.4
59.01386	100.0
61.98832	9.2
71.01385	13.5
71.28487	11.1
72.99320	8.6
85.02957	16.2
91.21754	9.1
101.02457	15.6
105.14277	10.3
105.20303	8.8
109.02946	12.2
113.02463	15.6
126.14047	9.5
139.97719	10.9
152.01230	9.6
212.99187	11.0
292.60629	9.2
293.09476	12.4
335.14377	13.9
335.64578	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	453.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37315	0.9
62.53292	0.8
66.78362	1.1
69.08415	1.8
69.08817	7.0
71.01392	8.0
81.61908	0.9
83.76038	0.9
94.57318	0.9
98.21775	1.9
99.92599	30.5
100.92660	1.6
100.93403	4.3
111.30663	0.9
113.47337	1.0
115.48154	0.9
115.92096	100.0
116.92144	4.2
116.92876	68.6
117.92871	3.3
126.57628	0.8
132.92378	1.6
144.96094	1.2
172.95493	49.8
173.95625	3.5
245.68484	1.1
268.83844	1.0
294.69272	1.0
338.10757	1.1
453.19482	5.1
453.33945	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	453.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18225	1.5
55.01883	5.9
55.14521	1.4
57.03448	6.3
58.00592	3.1
59.01386	69.3
61.98834	4.6
68.91445	1.5
69.03464	2.0
70.05544	1.3
70.84383	1.5
71.01390	100.0
71.27262	2.0
71.27647	1.7
71.87489	1.5
72.99311	5.1
73.02956	23.7
75.00883	2.8
77.62078	1.5
77.82504	1.5
83.01398	15.4
85.02963	43.0
87.00877	11.2
89.02457	44.2
93.03521	2.3
95.01414	5.2
97.02988	3.0
99.00894	14.8
99.92606	2.4
101.02455	80.4
111.00874	1.7
111.08176	8.4
113.02469	47.6
113.36629	1.5
115.92113	2.2
119.03510	16.5
119.04988	3.7
125.02473	6.3
129.01947	1.9
129.09259	4.3
131.03534	3.1
133.03024	1.8
135.03035	3.7
135.04576	3.5
137.02449	3.3
143.03564	7.0
149.04572	3.0
155.07196	5.0
159.02992	8.2
161.04584	44.6
161.05916	3.1
165.02037	1.6
173.08310	1.9
175.03984	2.3
178.33690	1.6
179.05692	5.7
191.05617	2.4
191.07201	2.1
205.03601	2.0
218.05942	2.2
259.06177	2.6
262.96667	5.4
265.40955	1.5
291.09290	8.1
291.14523	65.6
292.14954	4.0
453.19946	57.8
454.20190	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	453.2137
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
50.16543	0.5
52.67897	0.5
53.71720	0.5
55.01871	1.0
55.39853	0.5
57.03460	3.9
59.01102	1.2
59.01388	25.1
59.31155	0.5
63.63848	0.6
64.44618	0.5
69.03463	0.7
69.65655	1.6
69.66067	1.2
71.01036	0.9
71.01395	10.2
73.02969	3.5
83.01391	2.3
85.02965	5.2
86.23616	0.6
87.00897	1.2
88.51323	0.5
89.02459	3.7
95.01395	1.4
98.21822	0.8
99.00903	1.0
101.02458	6.9
107.86307	0.6
111.00937	0.6
113.02467	3.9
119.03522	1.5
120.94431	0.6
123.89478	0.6
189.12892	5.9
192.50960	0.5
231.13942	24.0
232.14278	1.2
249.14984	35.1
250.15231	2.6
393.19260	16.8
394.19693	2.4
411.20288	54.0
412.20566	5.9
445.08856	0.6
453.21356	100.0
454.21750	12.2
466.03995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61446	11.2
56.17481	9.2
58.99603	14.2
59.01382	49.9
61.14592	11.1
69.22371	75.9
70.68243	10.5
71.01377	30.2
73.02937	12.3
87.00875	29.4
88.01171	10.4
98.21757	15.2
101.02415	22.0
102.98623	100.0
120.99692	77.3
245.88490	11.7
251.90532	12.7
277.12482	11.3
279.84610	11.9
283.05029	93.6
391.95734	12.3
453.23080	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	454.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	40.7
59.28151	7.3
61.08468	6.6
70.34901	19.9
83.05730	5.9
85.82891	5.9
89.88503	5.5
95.05017	7.1
103.01546	17.4
103.92036	46.5
122.89433	16.0
125.87341	47.8
138.53593	6.0
142.87592	33.4
144.14116	6.8
157.86342	71.5
159.89410	11.6
196.88654	7.0
211.34154	6.2
256.96817	7.9
275.27585	6.8
283.06454	12.0
318.03308	100.0
318.11673	6.8
319.03629	9.6
418.12241	14.6
419.13055	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	454.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	95.0
61.98843	23.9
67.15573	8.3
71.01392	39.9
71.13542	14.9
85.02988	10.8
85.69848	8.5
89.02462	23.2
92.82057	10.3
93.03484	10.9
99.04505	41.1
101.02464	21.3
105.03487	37.1
107.05024	13.8
113.02451	11.7
119.03506	10.3
119.05042	87.1
125.02444	8.0
129.01997	8.9
131.06909	7.9
134.03735	19.5
135.04512	14.8
142.05115	26.3
145.03131	11.7
149.06122	16.5
161.04776	9.3
163.04019	100.0
183.57568	9.6
292.11920	29.0
398.02527	8.4
405.98322	9.4
454.17169	9.5
454.26917	11.5
455.15759	12.3
457.46744	10.8
468.45148	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	454.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20916	0.6
54.64221	0.5
55.01884	0.8
57.03458	1.3
58.00603	3.1
59.01387	99.0
60.01707	0.7
61.98837	3.2
65.17098	0.6
69.03461	1.3
71.01392	67.2
72.01716	1.4
72.99309	4.8
73.02961	14.0
83.01404	4.0
85.02962	10.4
86.00108	2.0
87.00887	12.7
89.02457	100.0
90.02792	1.3
95.01413	2.5
97.02975	1.1
99.00896	1.3
101.02460	48.8
102.02821	1.1
111.00890	1.8
113.02471	14.0
119.03523	11.9
125.02468	2.6
127.24945	0.6
129.01906	0.7
130.06642	1.1
131.03520	48.0
132.03825	1.3
135.04527	0.7
142.06674	4.6
143.03554	2.7
149.04576	60.6
150.04967	1.4
160.07718	4.3
161.04610	1.9
179.05618	3.4
184.83951	0.7
191.05635	22.3
191.07370	1.2
192.06003	0.8
233.06700	1.1
251.07770	0.7
256.44586	0.6
304.11890	1.5
314.33209	0.7
322.12982	27.7
323.13419	2.9
454.17224	57.3
455.17410	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	454.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.3
59.01386	100.0
61.98830	30.1
63.84844	8.1
71.01384	40.0
71.27224	15.0
73.02980	21.9
75.05933	8.7
85.02951	15.2
86.70064	11.1
89.02453	25.7
95.06608	9.1
99.04520	26.7
100.04846	10.2
101.02463	35.7
104.15210	8.7
105.03466	47.3
107.05044	18.1
108.02161	11.0
108.52199	8.9
113.02480	15.6
116.92901	53.8
119.05054	79.8
134.03751	13.3
135.03052	8.9
142.05080	29.3
149.06073	22.6
160.01576	12.1
163.04010	66.7
191.05606	11.2
292.11966	23.8
320.53860	10.8
363.82156	8.7
454.17303	16.8
455.15976	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	454.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	7.8
59.01132	8.0
59.01387	91.0
61.98824	9.4
69.03432	10.5
69.16203	59.9
71.01405	61.3
74.41212	6.1
81.03479	12.0
85.02914	7.7
85.06608	12.9
87.00897	10.3
89.02465	100.0
93.03471	17.2
93.98983	6.4
95.05035	28.3
96.97015	6.3
101.02467	45.0
105.03458	34.2
107.05042	29.3
108.22568	6.5
113.02464	24.8
115.07664	7.7
115.92101	7.9
119.03490	25.9
119.05036	18.1
119.30926	6.0
125.06118	9.0
129.12640	6.9
131.03532	16.2
143.03413	6.3
143.05048	8.7
143.07112	46.6
145.06587	15.5
146.82199	6.3
149.04590	35.4
165.01961	13.5
166.02245	6.9
172.05199	9.7
179.05637	18.4
183.08131	16.1
191.05667	11.4
195.06572	10.8
201.49365	6.6
223.64725	7.6
228.09824	8.3
231.10262	10.3
289.41956	7.2
333.15704	7.3
371.40967	8.2
406.15900	8.6
454.23431	15.9
457.06274	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	454.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	32.2
71.01390	34.0
73.02958	14.3
73.15601	8.1
75.00874	9.3
76.65075	8.8
78.95927	63.3
79.46724	10.2
83.01374	11.7
85.02932	17.1
89.02482	17.6
95.05057	45.5
96.96982	74.1
98.22633	14.3
101.02442	14.3
102.50254	7.9
102.63181	10.4
102.63922	7.3
105.03489	100.0
107.05057	39.7
109.16940	8.6
111.04553	43.3
113.02473	12.8
113.06109	12.6
117.03461	17.2
121.03055	8.1
125.02475	34.5
135.04546	38.0
137.06136	20.9
143.07141	44.4
147.08176	14.7
149.06142	13.4
161.04546	9.8
188.04713	13.0
189.05609	21.7
191.07146	10.1
203.07172	18.5
204.07985	17.6
207.06923	9.2
209.08229	23.2
218.09586	13.1
219.10295	57.4
231.10272	30.9
249.11372	28.3
275.09235	14.3
287.12952	22.0
349.13266	14.7
411.13150	14.2
455.10754	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	454.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34016	11.2
58.02508	13.3
59.01391	80.4
60.68633	14.5
63.65634	11.6
69.31525	100.0
71.01379	20.2
73.02964	21.5
74.47973	13.2
89.34362	13.2
97.40821	12.9
98.22571	24.0
101.02449	15.5
102.33658	12.4
113.02479	16.0
119.30818	15.2
143.86516	14.9
208.15746	13.3
462.12369	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	454.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48477	5.6
55.15884	6.0
59.01133	8.4
59.01390	100.0
61.98840	11.4
71.01395	35.6
71.28586	10.0
71.61061	6.7
73.02942	20.8
89.02455	12.5
101.02459	25.4
113.02483	10.6
260.55283	6.3
384.10321	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	454.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85940	1.6
56.96935	1.5
61.98840	100.0
71.28121	1.7
81.69913	1.6
83.42340	1.5
108.22712	1.6
116.55150	1.4
116.88261	1.4
157.86368	1.8
295.90576	1.9
373.81134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28517	2.0
51.99420	1.9
57.03454	11.7
59.01384	25.8
69.03456	10.2
69.05891	19.2
69.97277	2.1
71.01391	24.5
73.02961	13.7
75.00863	10.9
77.86802	1.9
78.95913	82.2
80.02684	2.5
81.03469	14.8
83.01395	22.3
85.02961	6.6
87.00904	5.3
89.02463	9.0
93.03481	3.8
95.05038	63.2
96.05348	2.4
96.96971	100.0
97.02972	6.4
98.03749	2.0
99.04535	3.3
101.02444	9.4
104.91084	1.8
105.03457	4.1
107.05029	4.2
109.03016	2.5
109.06620	15.5
111.04534	75.6
112.04855	2.2
113.02455	11.0
113.06084	23.4
117.01939	4.3
117.03471	2.2
119.03537	2.2
119.05049	7.2
125.02460	48.9
125.03346	3.0
135.03065	2.4
135.04515	2.7
137.02451	11.1
137.06100	42.2
138.25014	1.7
138.97992	3.4
139.04034	2.7
145.01431	6.8
145.02989	2.6
147.08197	17.7
149.06131	14.3
151.07655	8.1
155.07117	3.3
157.05048	4.3
161.04591	4.4
163.04027	5.7
163.07689	2.8
165.05615	4.2
165.09268	7.0
179.05766	2.2
181.05125	5.4
189.09300	6.6
191.03587	2.9
191.05656	2.5
191.07196	13.5
193.05023	2.1
195.06619	7.1
199.00171	9.5
209.08202	40.2
212.08356	3.7
213.01781	9.6
231.10275	2.5
241.07341	4.3
242.18939	2.6
255.08978	7.0
275.09290	20.1
275.86014	2.2
277.36569	2.0
287.12933	40.9
288.13330	6.0
293.07050	4.4
293.10349	11.7
293.16122	6.3
305.14005	9.1
325.86053	2.3
332.80078	2.1
337.09348	9.9
349.12885	26.2
350.13190	2.6
367.14133	2.5
411.13040	13.8
412.12930	2.3
455.10803	26.0
455.21515	4.8
456.11777	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01711	1.0
69.09376	5.0
71.01382	4.3
72.99317	0.8
73.02953	1.3
78.28460	0.5
85.02980	1.2
87.00932	0.7
89.02458	5.6
101.02441	7.1
107.81921	0.6
108.79298	0.6
113.02500	2.4
119.03513	7.1
151.70168	0.6
161.04631	0.7
223.59053	0.5
225.46980	0.5
233.08217	0.9
233.11855	3.1
258.05432	0.6
260.06934	1.0
273.07870	1.3
275.09210	4.4
287.09332	2.1
299.09311	1.3
317.10336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52026	2.5
56.32727	2.5
56.95641	2.6
57.03439	3.2
59.01386	100.0
71.01398	20.5
73.02946	14.1
83.01370	6.4
84.37267	2.4
85.02940	6.1
89.02455	7.4
89.77606	2.3
98.21796	9.4
101.02456	19.3
111.24115	3.0
113.02462	8.9
119.03481	4.8
123.84727	2.7
131.03535	3.1
136.28242	3.2
161.04590	5.3
225.31818	2.6
232.08910	2.9
325.50754	2.6
353.25101	2.7
378.53030	3.1
395.20587	5.5
413.21970	9.0
455.22711	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	455.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	0.9
59.01389	100.0
60.01728	1.0
67.79125	0.7
68.09028	0.6
69.04953	1.7
69.05364	4.9
71.01391	12.2
72.99310	0.6
73.02962	1.6
75.30753	0.6
77.03972	0.8
78.35500	0.6
78.95921	1.1
82.50302	0.6
85.02982	2.5
89.02463	14.5
89.02974	1.1
89.04049	0.8
93.03490	0.7
98.22168	3.5
101.02460	7.4
113.02469	4.4
115.05576	0.9
119.03516	6.5
133.06654	2.1
143.03561	0.7
149.04585	0.8
161.04620	2.4
179.05698	2.8
215.10867	1.3
233.11818	7.7
233.13560	0.6
257.59412	0.8
275.09326	0.7
289.10751	0.7
299.09363	0.9
413.21875	1.0
463.28607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42467	0.8
55.01888	1.0
57.03454	1.0
59.01386	100.0
61.98829	1.2
64.48731	0.9
65.88804	0.9
68.18594	0.7
69.34012	5.6
71.01394	16.8
73.02956	7.0
83.01399	2.7
83.05045	0.9
85.02958	5.3
87.00889	0.8
89.02459	9.3
89.10703	0.7
95.01371	0.9
99.00901	1.5
101.02455	10.4
101.03999	1.3
113.02469	5.6
119.03516	2.5
119.05045	15.1
121.02979	4.6
131.03543	1.0
143.03487	1.2
161.04565	6.5
179.05742	0.8
191.05672	0.8
197.01178	0.9
215.10918	1.2
233.11861	4.1
263.15002	3.0
295.70581	0.9
395.19138	7.7
413.21936	1.0
457.82336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	5.3
59.01387	100.0
63.11380	2.4
65.03979	4.4
69.23242	3.7
69.23640	14.9
71.01390	37.0
72.99292	2.8
73.02944	2.6
85.02969	5.7
85.06599	11.7
87.00909	3.3
89.02454	48.1
89.03978	32.7
95.05064	3.8
97.06612	4.6
101.02464	14.4
106.04266	4.9
107.05038	3.4
113.02466	13.3
115.07689	8.1
119.03532	19.7
119.05046	8.6
125.06092	15.8
143.07143	34.9
156.05850	6.4
159.08186	30.0
161.04588	7.3
162.77885	2.5
179.05612	5.5
182.07487	3.6
185.09706	36.2
215.10773	22.6
356.49683	2.7
382.51013	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	455.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36164	0.9
59.01386	100.0
59.89630	0.8
61.98835	15.2
63.02400	1.5
65.03953	1.1
69.03233	9.3
71.01388	19.1
72.99311	1.1
73.02949	2.4
85.02953	5.4
89.02457	11.4
95.01396	2.0
101.02442	8.2
103.69579	0.9
106.04267	1.1
107.05062	2.8
107.67371	0.9
111.12041	1.1
113.02461	5.8
119.03519	3.6
119.05022	8.1
121.03123	1.1
122.84241	1.0
159.08159	2.2
161.04620	2.8
165.93703	1.0
176.29022	1.0
179.05634	2.5
179.07094	1.1
183.68706	0.9
185.09747	2.5
215.10837	2.7
233.11868	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	455.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86681	0.5
55.01884	0.8
57.03437	0.7
59.01387	100.0
60.01725	1.1
61.98839	2.6
69.05949	5.1
71.01389	11.1
71.20930	0.5
72.99334	0.5
73.02959	3.3
77.17812	0.6
83.01410	1.1
85.02967	4.3
87.00903	0.7
89.02459	6.2
91.05534	0.6
95.01433	0.7
99.00961	0.6
101.02469	5.3
107.29368	0.6
113.02471	4.7
119.03539	2.3
119.05069	3.0
161.04584	5.6
166.35837	0.6
179.05753	0.7
191.05682	0.5
215.10789	0.9
233.12129	0.6
317.63031	0.7
395.21115	3.5
413.21881	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	455.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79168	0.4
55.01878	0.7
57.03447	0.7
58.00586	0.5
59.01384	100.0
60.01720	0.9
61.98831	1.6
62.53764	0.4
69.84183	0.4
70.53480	0.4
71.01389	11.5
72.99305	0.5
73.02961	4.2
75.00857	0.4
83.01408	1.4
85.02967	3.3
88.41962	0.5
89.02454	6.3
89.59090	0.5
95.01443	0.7
98.21728	1.0
99.00925	0.8
100.75877	0.4
101.02448	7.7
102.02762	0.4
111.34037	0.5
113.02454	4.5
113.03635	0.6
114.05653	0.7
119.03601	2.3
119.05015	3.1
121.03005	1.5
125.02481	0.5
131.03563	0.5
131.04671	0.9
143.03491	0.8
149.04613	0.7
159.03044	0.7
161.04536	4.9
179.05649	1.0
193.59451	0.5
215.10742	0.6
233.11995	1.1
251.16643	1.1
395.20294	1.5
413.21802	7.6
414.22452	0.9
455.24216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99829	0.6
55.01867	1.6
57.03445	2.8
58.00578	1.1
59.01384	76.2
60.01722	1.4
61.98817	1.0
69.03468	1.7
69.14223	1.8
69.14644	4.0
71.01391	34.5
72.99304	2.6
73.02951	13.5
82.53127	0.8
83.01389	5.6
85.02957	15.3
86.00107	0.9
87.00890	2.4
89.02441	6.6
90.51623	0.7
95.01409	2.8
97.02980	1.5
99.00880	4.3
99.04504	0.8
101.02454	20.6
101.03120	1.1
104.06907	0.7
113.02458	9.9
116.92850	2.5
119.03516	1.7
125.02451	1.3
140.10811	1.3
143.03523	1.3
159.02977	1.2
161.04561	7.7
233.15440	1.2
235.17050	17.9
236.17311	1.3
251.16560	4.9
369.23096	1.1
395.20795	5.4
396.21259	1.3
410.75012	0.8
413.21866	18.1
414.22137	2.8
455.22888	100.0
456.23227	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	455.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98103	1.8
63.09048	1.9
63.96241	8.6
66.51582	2.2
68.99823	6.0
70.84030	5.4
79.95747	4.1
81.03468	8.8
82.30302	1.8
91.05555	6.9
93.03458	5.5
93.07130	4.1
93.29161	2.4
95.01397	14.8
95.05049	5.5
106.58043	2.0
107.05056	13.9
109.02973	6.2
118.02683	1.9
119.05034	21.5
121.02985	5.1
121.06618	12.7
122.03780	7.4
123.04546	3.1
125.02400	2.6
133.06612	11.1
135.04539	100.0
137.05043	2.1
137.06096	32.6
143.09041	3.1
144.83533	2.4
147.04538	16.6
148.05000	2.1
150.03279	4.8
150.06850	6.0
163.03978	5.0
164.03027	3.0
166.06245	2.4
180.02505	9.3
181.03206	3.5
182.05887	9.7
192.66956	2.0
212.01476	18.3
219.56895	2.2
261.18369	2.9
293.15887	6.5
294.16595	34.9
295.16940	4.5
319.57526	2.1
326.15588	92.2
327.15924	6.5
393.31537	2.2
455.26425	4.1
455.32150	2.8
462.63300	2.6
478.10114	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	455.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21223	6.4
53.23003	5.6
53.60167	6.0
62.96083	7.2
69.00835	61.8
105.01495	6.1
147.37486	8.8
160.44652	7.1
168.75740	7.5
199.37268	6.5
250.20589	6.8
322.40195	7.1
455.35416	100.0
456.35605	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	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45343	0.4
69.79457	1.8
88.55956	0.4
95.05006	0.5
182.82724	0.5
193.16977	0.4
205.15901	0.5
259.20682	0.7
262.96194	0.4
271.20676	0.9
287.23767	0.5
383.33228	2.8
395.33173	1.5
455.35367	100.0
456.35706	15.8
460.06815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35203	0.7
59.61433	0.8
61.57583	0.7
71.01398	6.6
71.16418	1.2
107.98814	0.7
167.30209	0.7
241.37436	0.8
268.19470	0.8
381.31961	1.3
383.33353	2.0
419.33109	1.4
437.34296	43.6
438.28857	1.0
438.34622	6.5
455.35376	100.0
456.35727	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	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22997	0.3
60.99305	1.8
70.90047	0.8
87.17719	0.4
122.15981	0.3
149.62376	0.3
175.26448	0.4
199.07202	0.4
242.06505	0.4
288.55804	0.4
375.30826	0.6
391.30099	0.7
409.34921	1.5
419.88333	0.4
437.34195	2.2
455.35355	100.0
456.35709	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	455.3535
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
60.99302	0.5
71.16040	0.6
71.16360	0.5
74.85406	0.4
90.42378	0.4
111.17039	0.4
135.22287	0.4
299.66245	0.4
404.84518	0.4
409.30780	0.8
437.34213	1.0
455.35349	100.0
456.35660	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	455.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40182	4.0
61.87460	3.9
69.29827	8.7
69.30237	22.6
75.44760	5.4
90.61935	4.3
208.94951	4.0
272.18390	4.0
373.52063	6.9
455.35388	100.0
455.68552	4.5
456.35889	17.2
478.25113	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76595	17.5
59.34158	15.5
71.26830	25.8
73.13068	15.9
135.28485	17.1
455.35370	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	456.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	27.7
61.98840	100.0
71.01392	6.7
75.60165	1.2
78.42475	1.3
85.02954	2.3
89.02451	4.0
93.03455	1.8
95.49301	1.3
98.21697	1.6
101.02419	2.3
113.02444	2.1
115.92097	2.1
116.92875	4.8
117.92883	3.8
119.03531	2.0
125.02530	1.5
130.08771	1.6
135.04559	1.7
149.04507	1.3
161.07213	3.2
163.16919	1.2
175.56596	1.3
247.77728	1.3
295.11987	1.5
456.28253	4.3
457.18478	2.3
457.27652	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28032	5.0
53.86472	5.7
56.29445	4.4
59.01384	93.0
71.01390	60.7
74.02466	6.0
77.03981	6.1
85.02975	10.4
87.00901	6.3
89.02448	73.1
89.02879	5.6
93.03471	9.7
95.05035	9.9
96.58005	4.8
101.02445	27.9
105.03419	27.7
107.44812	6.3
113.02457	22.9
114.01966	5.5
119.03545	32.2
120.09892	5.0
131.30341	5.2
133.02972	100.0
134.03732	7.8
143.03511	6.4
143.07138	7.4
161.02428	10.9
161.04544	14.9
164.04852	6.9
176.04889	7.8
177.01978	43.9
178.02737	5.8
179.05595	23.1
179.07085	10.1
191.07239	5.5
193.05127	10.3
209.08200	9.1
228.69562	6.3
432.48029	5.4
456.28418	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	456.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59599	6.6
53.25063	6.4
57.03461	12.7
59.01384	50.5
61.98821	10.3
65.97361	6.6
69.03449	9.5
71.01385	34.5
72.45273	6.6
73.02941	20.5
73.31063	6.7
78.95905	44.5
81.03471	9.2
83.01401	20.8
85.02976	11.6
87.00873	10.1
89.02457	24.9
93.03450	21.5
95.05035	31.4
96.05395	9.1
96.96980	51.5
98.22559	25.6
101.02457	14.8
105.03484	18.4
107.05065	11.3
109.06626	9.9
111.04533	32.6
112.04866	15.5
113.02441	19.1
119.03566	9.1
119.05041	57.3
121.02962	34.0
125.02480	26.5
126.02769	10.7
128.03564	8.0
134.03751	30.1
135.04536	12.5
137.02441	13.4
137.06084	27.4
138.06456	13.0
145.01465	10.1
149.06061	26.6
161.04573	17.7
163.04044	20.6
178.02722	24.5
179.05576	11.0
193.05063	100.0
205.05063	7.7
210.08463	12.6
214.15640	10.0
251.12871	9.3
275.09476	7.8
288.13260	17.2
295.08258	13.7
350.13199	16.2
355.10315	20.0
456.11542	13.5
456.28342	16.0
457.13428	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56020	0.8
57.03428	0.9
59.01385	100.0
60.01730	1.5
62.12465	0.8
65.45536	0.8
69.41534	5.8
71.01396	14.4
73.02951	7.4
81.07131	1.0
83.01389	2.0
85.02925	5.0
89.02452	9.5
95.01413	1.3
98.21802	1.6
101.02439	8.6
113.02471	11.7
118.32759	0.9
119.03526	2.1
138.87706	1.0
161.04524	2.4
168.53958	0.9
198.14769	0.9
270.91745	1.0
290.00348	0.9
302.59943	0.9
397.22345	1.7
415.23422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.64463	2.6
65.74061	2.7
67.28023	2.8
71.01387	23.4
71.75925	2.7
73.02973	4.4
77.07251	3.2
80.52701	2.5
83.05037	2.7
85.02928	3.7
89.02457	21.0
94.47400	2.5
98.22626	7.2
101.02451	12.2
113.02446	9.5
119.03600	5.6
130.50923	2.6
161.04547	6.4
190.63873	2.7
217.12395	3.8
229.96797	4.3
235.13432	8.7
309.12820	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	456.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
65.64463	2.6
65.74061	2.7
67.28023	2.8
71.01387	23.4
71.75925	2.7
73.02973	4.4
77.07251	3.2
80.52701	2.5
83.05037	2.7
85.02928	3.7
89.02457	21.0
94.47400	2.5
98.22626	7.2
101.02451	12.2
113.02446	9.5
119.03600	5.6
130.50923	2.6
161.04547	6.4
190.63873	2.7
217.12395	3.8
229.96797	4.3
235.13432	8.7
309.12820	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	456.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56020	0.8
57.03428	0.9
59.01385	100.0
60.01730	1.5
62.12465	0.8
65.45536	0.8
69.41534	5.8
71.01396	14.4
73.02951	7.4
81.07131	1.0
83.01389	2.0
85.02925	5.0
89.02452	9.5
95.01413	1.3
98.21802	1.6
101.02439	8.6
113.02471	11.7
118.32759	0.9
119.03526	2.1
138.87706	1.0
161.04524	2.4
168.53958	0.9
198.14769	0.9
270.91745	1.0
290.00348	0.9
302.59943	0.9
397.22345	1.7
415.23422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73642	1.0
59.01387	8.4
59.63604	1.0
61.98814	2.8
68.99792	1.6
69.80761	1.0
71.01387	8.4
72.01743	0.9
72.22639	0.8
72.99284	1.2
73.02935	1.8
75.00871	1.7
83.01388	1.3
85.02976	4.6
87.00884	5.3
87.50430	0.9
89.02434	3.9
93.03466	52.7
94.03806	1.4
95.01372	3.8
98.21754	1.7
99.00900	4.5
101.02425	3.4
102.05536	1.2
105.03470	1.5
111.00879	1.7
113.02473	5.7
113.99603	8.5
115.00412	7.6
119.03461	2.4
119.05033	5.4
127.00368	2.0
128.03540	2.2
129.01945	1.7
133.01453	5.9
133.02943	2.3
134.03706	3.6
135.04544	5.7
137.02460	100.0
138.02765	3.5
139.00291	1.0
147.03004	0.9
147.04504	0.9
149.06007	2.4
154.99875	1.0
157.01395	3.4
161.02403	2.4
161.06021	1.0
163.04039	4.5
165.05479	1.0
167.03357	0.8
169.01257	1.4
174.01675	6.9
178.02684	2.6
179.03496	6.5
179.07088	1.5
190.62456	0.8
191.05533	1.1
191.85323	0.8
193.05093	10.5
205.04979	1.6
207.06813	0.9
233.08118	1.3
277.05627	14.7
278.05762	1.1
285.93484	0.9
295.08258	2.0
295.11472	0.9
311.09753	1.3
337.07788	80.0
338.08197	5.7
341.08759	5.3
457.09665	31.7
458.10135	3.8
460.83466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1207
Annotation	12-chloroisoplagiochin D
Peak:m/z	Relative Intensity
55.46620	1.1
57.03454	4.0
59.01389	12.6
64.54652	1.2
70.54792	3.3
71.01392	48.9
72.99313	2.6
73.02946	4.7
75.00885	8.2
85.02960	34.9
87.00868	6.7
89.02470	6.2
90.09219	1.1
95.01403	6.5
97.39990	1.1
99.00892	6.1
101.02469	3.8
103.00401	2.5
108.93794	2.2
113.02467	41.9
113.03280	2.0
117.01970	1.8
131.03523	5.0
147.20607	1.3
160.93240	11.2
171.03023	1.4
173.04642	1.8
175.02548	6.2
178.94319	16.6
186.94879	3.9
191.05650	8.4
201.04106	2.6
235.04655	3.9
247.01370	5.7
264.98001	49.0
265.98355	1.7
307.06787	2.9
325.07742	2.8
379.08795	8.3
397.09998	14.7
403.05212	1.4
421.06818	4.2
439.03152	2.5
457.04468	33.7
457.12030	100.0
458.05682	2.2
458.12375	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	457.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
71.01391	34.7
71.25648	0.9
75.62033	0.6
85.02959	1.8
89.02450	3.7
99.73375	0.7
101.02473	2.1
109.33089	0.6
109.55190	0.7
113.02459	3.0
114.72097	0.7
114.89416	0.6
115.00387	100.0
116.00700	0.7
116.07179	1.0
119.03497	1.0
145.06218	1.1
161.04572	0.6
179.05617	1.7
341.10934	6.0
353.89816	0.7
397.10263	0.8
457.12030	4.3
458.12302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95600	0.4
55.01854	0.4
57.03449	0.5
59.01386	40.9
60.01709	0.4
61.33250	0.4
61.98827	0.6
65.22745	0.3
71.01389	8.0
71.28603	0.6
72.99319	5.9
73.02958	4.5
75.00888	2.8
83.01397	1.8
85.02959	2.4
87.00896	1.3
89.02457	4.6
95.01398	0.5
101.02457	5.8
105.01949	100.0
106.02285	1.3
107.05016	0.4
111.00949	0.4
113.02464	2.1
115.00397	1.0
115.03892	0.4
119.03513	1.8
125.02451	0.6
129.01947	0.8
131.03520	0.5
135.04488	0.4
143.03493	0.8
145.01439	3.6
149.04594	0.5
161.04515	1.8
179.05634	0.8
181.94962	0.4
235.13559	0.6
255.56046	0.4
300.72101	0.4
355.14136	0.4
457.12781	0.6
457.18057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.8
63.20806	4.5
68.57472	4.5
70.41840	16.0
71.01385	18.5
73.02956	5.8
75.00919	4.9
82.93262	4.8
83.05032	4.5
85.02963	7.2
89.02438	11.4
89.03931	5.1
90.40904	5.6
97.01466	4.5
101.02440	12.1
105.03466	63.7
107.05023	26.2
113.02487	7.1
115.07627	5.0
117.03483	5.8
119.03501	6.8
121.02961	7.1
126.91949	5.2
128.03545	7.8
134.03763	38.9
135.04497	20.2
137.02464	5.8
143.07158	20.8
149.06133	11.3
154.99973	6.3
161.04610	12.2
169.15581	4.8
178.02716	28.3
191.05624	5.5
191.10187	4.9
193.05101	100.0
231.10271	11.8
235.59645	4.9
249.11391	7.2
291.99936	4.7
295.08270	7.5
313.94055	4.7
320.34177	5.3
355.10425	12.8
457.13300	12.2
457.26886	8.3
458.26413	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	457.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
59.01385	100.0
60.01735	1.0
61.98856	0.6
62.73545	0.5
69.03452	0.6
71.01392	11.1
71.27130	0.8
73.02958	3.2
81.03450	0.6
83.01421	1.7
83.05030	0.6
83.98154	0.5
85.02953	2.9
87.00895	1.3
89.02445	5.7
91.05556	0.9
93.03482	2.1
99.00914	0.7
101.02454	6.2
105.01955	1.9
105.07123	4.6
107.05051	0.6
113.02475	4.0
115.00384	0.9
119.03546	2.4
119.05038	4.5
122.21622	0.5
123.51888	0.6
131.03513	0.6
133.06653	0.9
135.03021	0.8
135.08191	0.9
137.02466	1.9
138.06865	0.8
143.03610	0.9
145.01427	2.9
147.08241	0.5
161.04559	2.9
162.04843	0.5
173.35025	0.6
179.05638	0.9
191.05701	0.6
195.06659	0.9
205.12419	2.3
235.13445	11.2
237.16837	0.5
282.94775	0.7
290.63409	0.6
457.17319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16371	1.0
59.01385	100.0
62.45977	0.8
71.01387	14.4
73.02956	2.0
83.05042	1.9
85.02974	2.9
85.06615	1.0
89.02456	17.4
89.02975	1.5
95.01469	0.8
95.05029	1.1
98.21717	2.0
101.02450	7.8
113.02460	6.8
119.03545	6.5
121.06613	1.5
126.39724	0.9
143.03532	0.9
143.07196	2.5
161.04602	2.3
161.09715	1.2
179.05589	2.2
200.34018	1.2
217.12357	1.7
235.13379	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	457.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.5
59.01385	100.0
61.98837	7.8
69.21916	7.9
69.22320	2.4
71.01390	27.6
73.02963	2.9
75.49194	1.2
81.03422	1.4
83.01412	1.6
85.02954	4.3
87.00858	1.4
89.02456	35.8
90.02763	1.4
95.01406	1.5
101.02455	15.1
106.04262	2.5
107.05045	2.5
113.02463	9.7
119.03516	12.0
131.03464	1.4
133.06584	1.7
139.95975	1.2
161.04581	4.7
161.09753	5.2
179.05629	5.5
185.31953	1.3
187.11264	4.2
217.12372	6.8
235.13380	3.2
283.61090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	1.6
61.98844	0.8
71.01392	10.2
73.02957	3.5
83.01408	1.5
85.02973	3.7
87.00902	1.3
89.02464	6.0
93.03500	1.9
95.05064	0.6
98.22640	1.0
99.00919	1.2
101.02476	5.8
103.42428	0.7
105.01981	1.5
105.07108	4.7
105.64046	0.7
113.02444	4.1
115.00458	0.7
119.03540	2.1
119.05051	5.3
131.03561	0.8
135.08197	1.1
136.52287	0.8
137.02518	2.5
137.82799	0.8
138.06836	0.7
145.01526	2.6
159.03107	0.8
161.04614	1.6
179.05687	0.9
195.06789	0.9
205.12399	2.5
235.13475	10.1
236.13853	0.9
360.51379	0.7
385.76596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66645	0.2
64.67511	0.2
69.31499	0.7
69.31920	0.8
98.21803	0.4
99.92593	7.4
100.92693	0.5
100.93372	9.2
101.93398	0.3
115.92090	100.0
116.92088	4.7
116.92877	7.3
117.92549	0.3
132.92343	1.2
142.94447	0.3
155.95309	0.3
163.24277	0.2
172.95483	7.9
173.95604	0.4
209.28204	0.2
234.04080	0.2
283.26508	0.3
326.51303	0.2
383.19058	0.9
384.19449	0.2
399.18057	0.2
409.20493	1.2
420.85516	0.2
439.21567	0.3
457.22769	4.5
457.36911	9.0
458.22855	0.5
458.37311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02649	0.6
54.57506	0.8
55.01891	0.8
58.00591	2.1
59.01386	100.0
61.77179	0.7
61.77800	0.8
70.79263	1.4
71.01391	40.0
72.99312	2.7
73.02958	34.1
74.06690	0.7
83.01402	9.3
83.01858	1.0
85.02963	6.1
87.00908	1.5
89.02455	16.8
90.07941	0.7
95.01418	2.0
99.00869	1.0
101.02453	32.8
113.02457	16.6
119.03500	7.2
125.02510	1.1
127.46446	0.7
131.03552	2.3
134.29842	0.6
143.03555	2.5
149.04640	3.2
155.03571	1.2
161.04558	7.6
161.05705	0.8
179.03461	0.9
179.05739	2.8
199.14995	1.0
221.06645	0.7
253.18262	2.2
397.22665	1.4
415.23581	4.8
457.24612	1.1
480.95572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03459	1.2
59.01385	100.0
60.01719	1.0
69.27004	2.0
69.27431	2.3
71.01385	14.4
72.99320	0.6
73.02952	4.3
83.01414	1.9
85.02959	5.2
85.13838	0.6
87.00913	0.9
89.02456	6.5
95.01424	1.5
96.92302	0.6
99.00922	0.8
101.02451	8.0
113.02471	11.3
119.03478	2.9
125.02445	0.6
143.03499	1.2
161.04597	3.5
179.05649	1.5
188.19743	0.6
308.61429	0.6
397.22382	3.9
415.23364	5.1
457.24698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.5
59.01384	100.0
60.01720	1.3
60.36841	0.7
69.07163	6.4
71.01392	15.8
71.01759	1.4
73.02950	4.7
83.01417	1.7
85.02962	5.4
85.16910	0.6
87.00890	0.8
88.86829	0.9
89.02455	10.8
95.01430	1.4
97.60171	0.7
99.00903	0.9
99.04547	1.0
101.02463	7.9
113.02467	17.3
119.03552	3.2
143.03514	1.0
153.33238	0.7
161.04581	2.8
179.05656	0.9
188.01541	1.0
195.81877	0.7
208.86139	0.8
308.57898	0.8
397.22379	5.8
415.23544	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	457.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.6
57.03445	0.9
58.00597	0.6
59.01386	100.0
60.01713	1.1
61.98842	1.0
69.05879	4.6
71.01392	16.2
72.99288	0.6
73.02955	8.0
77.25955	0.5
83.01387	2.3
85.02956	3.9
87.00912	1.1
89.02457	7.9
95.01424	1.3
99.00887	0.8
101.02457	10.0
107.00754	0.5
112.84296	0.4
113.02466	12.4
119.03525	2.7
129.77008	0.5
143.03557	1.2
159.59837	0.5
161.04553	2.5
179.05659	0.6
243.06525	0.5
266.78421	0.5
397.22684	1.7
415.23715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03451	0.4
58.00584	0.3
59.01385	100.0
59.13482	0.3
60.01723	1.1
61.98841	1.2
69.06164	3.3
71.01392	9.5
72.99293	0.6
73.02945	2.5
83.01408	1.4
85.02961	3.6
87.00893	0.5
88.36053	0.3
89.02453	7.0
95.01405	0.5
99.00890	1.0
101.02453	5.8
101.52625	0.3
113.02460	7.5
113.29120	0.3
114.87187	0.3
119.03505	2.6
125.02484	0.4
131.03568	0.4
143.03534	0.8
149.09761	0.6
161.04565	2.3
179.05643	0.6
196.66531	0.4
245.76035	0.4
246.33221	0.4
277.43109	0.4
397.22260	0.4
413.24026	0.7
415.23752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03451	0.4
58.00584	0.3
59.01385	100.0
59.13482	0.3
60.01723	1.1
61.98841	1.2
69.06164	3.3
71.01392	9.5
72.99293	0.6
73.02945	2.5
83.01408	1.4
85.02961	3.6
87.00893	0.5
88.36053	0.3
89.02453	7.0
95.01405	0.5
99.00890	1.0
101.02453	5.8
101.52625	0.3
113.02460	7.5
113.29120	0.3
114.87187	0.3
119.03505	2.6
125.02484	0.4
131.03568	0.4
143.03534	0.8
149.09761	0.6
161.04565	2.3
179.05643	0.6
196.66531	0.4
245.76035	0.4
246.33221	0.4
277.43109	0.4
397.22260	0.4
413.24026	0.7
415.23752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03461	0.8
58.00601	0.4
59.01385	100.0
60.01726	1.0
61.98847	0.8
64.50727	0.3
69.03486	0.3
69.09963	0.8
69.10384	1.5
71.01390	16.2
72.01748	0.3
72.99329	0.7
73.02959	8.4
83.01397	2.6
85.02956	4.5
85.03420	0.4
87.00909	0.9
89.02451	8.6
95.01386	1.8
97.02984	0.4
99.00925	0.8
101.02459	9.4
113.02463	13.2
119.03516	2.7
125.02496	0.4
130.21533	0.3
131.03557	0.8
143.03569	0.8
149.04614	0.5
161.04555	2.9
161.05653	0.2
179.05742	0.7
179.42834	0.3
219.19547	0.3
245.08022	0.3
397.22278	1.8
415.23434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3329
Annotation	Platanic acid
Peak:m/z	Relative Intensity
57.03434	1.8
59.25153	1.7
70.97176	3.5
74.46089	1.9
88.18633	2.0
88.57572	2.1
94.07644	1.8
110.96727	1.8
144.42136	2.0
233.19171	3.6
273.95206	2.3
381.27890	2.8
397.31113	5.7
413.34207	6.2
457.32733	100.0
458.32922	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	457.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01392	1.1
62.89837	0.6
69.11713	6.3
86.48645	0.7
99.08198	0.8
99.86462	0.8
136.04333	0.7
147.47401	0.7
173.58263	0.6
192.38620	0.6
198.78505	0.7
259.20724	2.1
273.22134	0.9
311.23663	0.6
313.25690	0.8
325.25586	1.0
349.21567	1.6
365.24826	2.8
367.26340	2.0
368.27164	2.2
369.27539	0.9
379.30316	6.9
380.30301	1.3
381.27985	7.2
382.28378	1.7
383.29605	1.6
395.33499	1.6
397.31189	15.6
398.31531	1.8
407.26013	0.9
413.34485	4.3
420.91089	0.8
423.29095	18.2
424.29337	3.0
439.32233	16.0
440.32458	3.0
441.29987	1.0
457.33276	100.0
458.33664	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Platanic acid
Peak:m/z	Relative Intensity
57.03428	2.6
59.01377	0.8
60.99290	1.1
70.53570	1.6
72.20382	0.6
76.08431	0.8
84.94076	0.7
111.08147	0.7
159.02046	0.7
180.03351	0.6
205.15996	1.0
207.17554	1.9
208.17725	0.9
217.43658	0.6
235.20700	0.7
251.34837	0.7
261.94232	0.6
363.26807	1.2
381.27908	5.3
383.29391	2.7
395.33185	1.0
397.31189	8.9
398.31332	1.0
413.34360	13.5
414.34476	1.9
439.31882	1.4
457.33133	100.0
458.33505	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
51.55302	0.4
59.01390	0.9
67.36781	0.5
69.34441	3.1
71.05018	0.6
74.04906	0.5
91.23764	0.4
97.06603	10.0
132.18504	0.5
169.12335	1.1
219.49030	0.5
249.18628	1.3
261.18539	1.1
273.18671	3.1
287.20190	19.8
288.20624	1.5
289.21762	50.9
290.22034	4.2
303.19724	2.3
321.20761	13.4
322.20969	1.2
457.33319	100.0
458.33664	13.7
459.07657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31808	1.3
71.05019	1.5
71.29787	2.1
71.30105	1.4
92.20733	1.4
100.66653	1.5
109.06590	1.5
149.46381	1.5
155.41319	1.5
166.65665	1.4
194.41533	1.5
244.64175	1.6
279.89877	1.5
365.24860	2.8
367.26239	2.4
379.29675	5.1
381.27731	4.8
386.32773	1.9
397.31000	10.8
412.88696	1.5
413.34360	2.7
423.29138	18.9
424.29260	3.0
439.32120	15.4
457.32883	100.0
458.33176	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	457.3692
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
66.78397	0.4
70.82996	0.9
71.01379	1.8
74.29360	0.4
74.70035	0.4
80.09410	0.5
85.06599	0.6
91.78871	0.4
92.48306	0.4
142.01868	0.4
152.04247	0.4
242.77229	0.4
321.13800	0.5
351.26953	1.5
367.30081	6.9
368.30685	0.7
383.33197	8.4
384.33426	0.9
385.34918	0.5
393.25055	0.4
439.35849	14.7
440.36282	2.2
457.36926	100.0
458.37311	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3693
Annotation	Spirosupinanonediol
Peak:m/z	Relative Intensity
69.24318	0.6
69.79105	3.1
71.50356	0.6
76.42024	0.6
99.92606	4.8
100.93394	2.5
115.92090	100.0
116.92097	4.5
116.92879	5.6
131.15361	0.6
132.92320	1.3
138.66261	0.6
163.67491	0.6
172.95511	6.7
263.06018	0.7
457.22952	3.9
457.36963	20.1
458.37103	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	457.3693
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
54.62199	7.3
64.12584	8.6
69.11873	22.9
69.12290	56.2
74.96400	9.2
84.68356	8.1
95.19052	8.5
120.03912	10.2
255.39047	9.0
441.33762	12.8
457.37006	100.0
458.37250	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29807	4.7
70.30161	7.7
71.01354	3.6
85.02948	3.2
94.65442	2.7
103.11063	2.8
128.48633	2.8
138.26993	2.9
146.03731	31.8
161.06090	10.8
164.04787	18.4
166.50864	2.4
179.07146	100.0
180.07471	6.2
306.02661	3.3
377.20059	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	458.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.9
60.01724	0.8
61.98838	100.0
62.39564	0.8
63.83347	0.6
67.17606	0.6
70.32902	1.7
71.01389	2.4
85.02988	1.1
89.02461	1.4
101.02489	1.1
115.10208	0.6
120.71799	0.6
226.31021	0.6
227.88669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92194	1.6
59.01385	83.2
60.01723	4.6
61.98839	100.0
64.14021	1.4
65.03958	1.9
67.26669	1.4
71.01390	25.0
71.16488	3.2
72.01722	2.0
73.02959	3.5
85.02966	5.5
89.02464	31.7
89.02980	3.0
90.02802	3.6
97.06594	2.2
101.02453	13.2
102.02786	1.8
113.02460	11.6
114.02793	1.6
119.03503	13.3
119.60624	1.4
133.35393	1.7
143.03554	1.9
149.04680	1.8
161.04587	5.0
161.09734	2.5
162.10078	3.0
167.16238	1.6
179.05627	3.2
205.41415	1.9
217.12323	2.2
218.12755	3.9
219.77905	1.8
317.49841	1.7
379.48111	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	458.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35477	0.7
59.01385	55.1
60.01718	4.4
61.40210	0.6
61.98837	100.0
66.16671	0.7
66.74622	0.7
69.03435	0.8
71.01393	9.8
73.02968	1.9
81.60807	0.6
83.01437	0.8
83.06918	0.7
84.98975	0.6
85.02975	3.2
86.90659	0.6
88.04071	0.6
89.02456	5.3
95.73293	0.8
95.76797	0.7
99.00938	1.2
101.02463	5.4
102.00493	0.8
109.02982	0.8
113.02487	4.9
114.02800	0.9
114.42118	0.7
119.03546	2.0
123.08174	1.0
130.08757	0.7
161.04607	2.2
209.11899	0.8
228.78159	0.8
230.38548	0.8
235.13510	1.0
236.13814	0.9
249.06171	0.8
287.15067	1.2
459.09103	1.0
459.18683	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	458.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	7.2
59.01386	100.0
71.01395	53.4
73.02949	8.2
81.11797	5.3
85.02969	12.5
87.00865	9.8
89.02460	90.8
97.02970	5.6
101.02443	41.8
109.02899	4.3
113.02454	13.2
119.03474	14.8
120.41050	4.9
131.03519	34.0
144.59912	4.6
149.04593	95.6
154.99898	10.5
161.06068	11.0
166.05519	4.4
191.05592	20.2
209.02841	6.7
366.07376	4.8
415.15851	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	458.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77644	1.9
59.00087	1.9
59.01389	46.9
59.27513	2.0
61.38294	2.0
71.01394	48.3
72.99326	2.8
73.02952	11.7
73.22784	2.2
75.00867	2.4
85.02976	11.7
85.45839	1.9
86.61865	2.1
87.00900	5.4
89.02458	54.5
99.00923	2.9
101.02440	15.4
113.02465	19.7
115.00367	10.4
116.00716	4.4
116.07188	32.4
116.92858	10.0
117.01970	21.3
119.03508	19.0
131.03575	4.2
139.00966	2.1
142.00230	2.2
143.03561	4.9
151.06177	3.5
161.04591	4.8
179.05635	26.2
191.01962	3.0
308.00250	1.8
341.10928	100.0
342.11237	7.5
458.12720	3.6
459.13580	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	458.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94359	0.7
58.76479	0.8
59.01387	32.0
60.01721	1.4
61.98838	100.0
71.01392	5.9
73.02962	2.0
85.02959	1.6
85.94061	0.8
87.00864	0.9
89.02451	5.6
95.55518	0.8
101.02454	2.9
107.00735	0.8
108.23528	0.9
113.02484	2.8
119.03489	2.4
124.58003	0.9
129.74474	0.8
161.04500	1.1
179.05638	1.2
205.91457	0.9
230.74239	1.1
358.25616	0.8
398.20392	0.9
423.23645	1.2
445.31851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.6
56.63071	12.1
59.01395	100.0
62.15533	12.4
69.18160	47.2
69.18581	55.5
71.01385	73.2
71.23803	15.5
76.39492	14.5
77.51661	12.6
78.00571	15.8
81.78512	13.8
87.00900	20.6
89.02464	55.1
90.42978	13.0
93.03487	35.1
98.22554	29.3
101.02464	40.6
114.63071	13.6
119.03551	22.7
119.05058	43.2
127.05142	16.6
128.03580	31.8
135.04538	53.1
137.06129	22.4
145.06274	15.5
154.99881	65.6
161.04550	14.8
165.03857	20.1
179.05647	20.2
179.77512	14.2
184.84822	15.0
209.02776	39.7
235.13486	22.5
251.63582	17.0
253.14514	39.0
428.25458	17.2
458.26447	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89349	0.8
57.56607	0.9
58.06963	0.7
59.01386	100.0
60.01723	1.1
69.00316	8.6
74.71209	0.8
114.98845	1.1
115.02550	9.4
117.00456	10.5
129.15410	0.8
132.98244	4.0
139.24393	0.9
141.00491	1.5
144.99995	1.3
156.99979	1.1
159.01514	95.5
159.96677	1.1
160.01668	7.9
172.99400	1.6
173.15366	0.9
173.99037	1.1
174.99260	19.6
187.01047	2.0
201.02562	18.8
202.02785	1.5
217.00327	40.1
232.98303	1.9
250.63606	0.9
259.01700	2.2
274.99359	6.6
275.99515	1.2
291.57880	0.9
298.99210	1.1
301.02713	53.1
302.02768	9.0
317.00443	98.4
318.00684	9.4
332.98718	1.7
417.00485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
56.69699	1.0
57.03453	0.9
58.73655	0.8
59.01382	13.5
71.01389	9.1
72.99290	2.2
73.02948	1.9
73.11385	0.9
74.02460	1.1
75.00880	22.2
78.61887	0.8
83.01375	1.6
83.25874	0.8
85.02939	3.0
87.00863	3.1
88.98815	1.0
89.02457	7.5
93.03474	0.9
96.96033	1.1
97.83805	0.8
99.00867	1.8
101.02469	4.3
102.05592	1.4
102.98572	0.9
107.05045	1.0
109.02945	1.3
111.00901	1.3
113.02441	2.8
115.08763	1.0
117.01961	1.4
117.03474	2.0
119.03509	1.7
123.31237	0.8
125.02435	0.7
126.53206	0.9
128.03539	4.5
132.02232	2.1
133.02965	6.4
134.03690	3.6
135.02980	66.6
135.04503	100.0
136.04836	3.7
144.04503	0.8
149.06058	1.0
153.01900	2.5
153.05492	0.9
154.99921	7.4
160.01616	3.8
161.02464	47.9
161.04570	3.1
162.02762	3.2
165.00192	1.3
167.03339	0.9
176.01204	1.2
176.55534	0.9
179.03516	90.8
180.03789	3.5
189.05615	1.1
191.05608	2.2
207.98421	2.1
208.99173	5.0
223.06128	1.2
238.08200	0.9
253.10973	0.9
297.06076	4.2
297.09677	3.4
303.14334	1.1
323.03946	1.8
323.07730	36.9
324.08032	3.0
341.04776	1.6
341.08780	27.3
342.09055	2.5
371.04443	4.9
415.22311	1.5
459.11307	33.3
459.24698	1.4
460.11649	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72737	1.2
56.26284	1.0
59.01379	4.0
64.52185	1.0
68.76617	1.1
71.01382	4.1
71.10622	1.3
71.10938	2.2
72.00922	6.4
72.94603	1.4
73.02956	42.3
74.02485	5.6
89.02441	5.7
99.00911	5.7
101.02493	2.2
102.79333	1.2
113.02435	1.6
115.00374	2.1
117.01958	100.0
118.02294	2.5
118.05117	29.3
119.03559	2.0
161.04552	1.5
179.05536	2.0
192.52263	1.1
271.92883	1.2
341.10913	5.4
459.13477	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	459.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.6
61.94564	1.3
69.23799	3.2
69.24199	8.4
71.01385	2.5
73.02952	45.6
75.00865	2.0
99.00893	4.7
110.67205	1.2
116.92852	4.9
117.01959	100.0
118.02297	1.4
128.03555	2.6
130.08751	3.7
136.93369	1.3
148.98549	1.3
158.99635	1.4
159.01517	2.7
161.04567	1.6
166.05153	2.9
217.00314	1.6
220.00134	1.4
290.21487	1.6
317.00375	1.9
321.72192	1.4
388.53284	1.6
427.55048	1.5
459.13214	1.9
473.46231	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	459.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	20.3
57.03459	0.4
59.01095	0.7
59.01385	13.2
65.94721	0.4
69.66062	1.5
71.01379	3.7
72.99314	1.1
73.02950	3.4
83.01396	8.5
83.05015	0.4
85.02967	0.8
87.00880	2.6
89.02462	0.5
97.06587	0.6
98.22456	0.5
99.00893	1.4
99.04495	1.3
101.02451	1.4
111.00874	3.1
111.98046	0.5
112.98843	1.0
113.02472	0.5
115.00396	0.7
117.01945	1.4
123.08212	0.6
125.06110	2.7
127.00423	2.3
129.01968	1.7
142.99849	0.6
145.01480	0.4
146.55286	0.4
152.97775	0.5
154.99884	100.0
156.00223	3.4
167.07155	0.5
167.30818	0.4
173.00912	1.2
184.63234	0.4
185.08287	2.5
202.46724	0.5
225.11354	1.1
241.14450	0.7
243.12418	1.8
272.08994	0.4
285.13541	1.6
303.11124	0.7
303.14536	13.5
304.14825	1.0
382.93512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	9.4
57.03468	1.2
57.48883	0.8
58.00602	1.5
59.01385	100.0
60.01712	1.2
69.35665	5.4
71.01388	30.9
71.92680	0.8
72.99322	2.4
73.02966	3.8
75.00894	2.2
79.05541	1.9
83.01405	4.4
83.05032	1.2
85.02964	8.1
87.00876	7.4
89.02454	37.3
91.05554	1.0
95.01405	2.2
97.02962	7.5
99.00891	2.0
99.04519	1.1
101.02449	17.8
101.43033	0.8
106.04274	0.9
111.00934	1.7
113.02467	12.6
117.01950	1.0
117.07119	4.7
119.03514	14.3
121.02975	6.0
125.06138	1.5
127.00426	1.3
129.01955	2.1
130.08784	0.9
131.03534	1.7
133.06602	2.3
135.03053	4.6
135.08191	4.6
139.07663	1.9
143.03535	1.8
146.03810	0.9
149.04553	1.2
154.99886	43.1
156.00243	1.1
161.04607	3.0
161.06082	27.2
162.06439	1.8
177.09245	1.1
179.05608	5.2
179.07178	4.4
185.08295	1.2
197.06027	0.8
203.07114	0.9
204.40402	0.8
215.75301	0.8
221.08298	2.0
225.11394	1.2
303.14523	5.4
341.12354	6.0
345.43344	1.1
357.15515	1.0
399.16711	1.7
411.33994	0.8
459.14761	9.4
460.15906	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86464	0.5
59.01386	100.0
60.01717	0.9
68.21896	0.5
68.70238	0.5
69.13429	0.5
71.01392	3.6
73.02959	1.1
78.85527	0.4
84.73889	0.5
85.02993	1.0
87.00890	1.0
89.02454	2.5
101.02493	2.2
113.02501	2.1
119.03551	0.9
143.03543	0.6
161.04605	1.8
179.05733	0.5
195.10281	1.0
195.84872	0.6
226.93121	0.6
229.25014	0.5
241.12175	0.6
253.08704	0.6
335.38974	0.5
339.14371	1.1
351.63446	0.5
357.15540	3.0
363.98212	0.6
399.16644	2.7
459.18805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11443	0.3
59.01386	100.0
60.01723	0.8
61.98853	0.4
65.30552	0.3
68.97182	3.0
68.97585	1.0
71.01391	5.4
73.02964	1.6
83.01400	0.8
85.02974	1.9
87.00893	1.4
89.02457	3.8
93.03500	1.0
99.00873	0.6
101.02456	3.3
109.03018	0.6
111.00918	0.6
113.02453	2.0
115.00414	0.4
119.03535	1.7
125.02484	0.4
135.03069	0.6
139.07707	0.8
143.03468	0.4
147.04660	0.4
154.99933	0.5
155.03603	0.4
161.04648	1.6
165.09256	0.9
175.02571	1.0
179.05609	0.5
191.05745	0.6
195.32631	0.3
202.36479	0.5
205.91533	0.4
215.52406	0.4
253.08827	0.5
276.03629	1.5
285.13605	1.4
323.05533	0.4
357.15903	1.1
358.16434	0.5
399.16727	1.3
459.17920	0.6
459.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08046	1.5
58.02985	14.2
58.15907	1.8
59.01384	100.0
61.98845	8.7
69.12344	7.4
69.12765	5.9
71.01389	13.7
72.00909	6.1
72.99284	2.0
73.02942	2.4
73.04079	26.7
74.02481	47.7
82.06647	1.7
83.01411	2.5
85.02967	2.7
85.04099	1.6
86.02515	8.7
89.02451	11.3
97.04094	8.9
98.02470	5.4
99.05634	2.1
101.02426	6.4
104.03546	31.6
104.04195	2.8
108.08217	2.0
112.02775	2.1
113.02496	3.6
115.05147	63.9
116.62138	1.9
119.03542	2.5
127.05112	4.1
128.03566	4.5
129.10350	6.6
130.08743	10.5
139.08800	4.2
140.07175	5.9
141.06741	2.6
141.10338	3.8
143.11903	18.3
145.06212	5.8
152.07172	5.4
153.10312	4.1
154.99846	1.9
155.11925	27.5
161.04601	4.1
167.12009	2.1
169.09845	4.5
171.11397	3.2
173.12968	4.8
179.05702	1.8
181.09816	3.5
187.10931	8.0
197.12955	2.3
197.16708	4.3
198.12494	3.2
199.10945	1.9
199.18130	3.2
208.13605	2.1
210.12483	4.6
225.16095	13.5
228.13553	2.7
229.11972	2.6
241.11928	3.7
256.20303	32.0
268.20309	24.9
269.20557	2.1
280.20313	4.8
286.21674	2.2
313.22552	5.5
325.22305	7.8
342.20322	4.0
355.23660	2.1
367.23566	17.8
372.21591	3.6
385.24872	3.6
399.22537	43.3
400.22900	3.2
411.22757	13.7
413.21948	4.0
429.23566	73.6
430.23749	7.7
441.23480	18.1
442.23761	2.3
459.24655	100.0
460.25070	10.6
472.51901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01733	1.4
61.98840	1.2
64.52245	0.6
67.66254	0.6
71.01389	8.3
71.27703	0.6
71.28098	0.9
72.99353	0.7
73.02966	2.5
75.53487	0.7
78.89738	0.7
82.76206	0.8
83.01415	1.6
83.05045	1.0
85.02938	3.9
87.00878	0.7
89.02481	3.0
99.00902	1.2
101.02457	4.6
110.39571	0.9
113.02466	5.3
119.03543	2.0
132.02208	1.3
134.43863	0.7
138.11133	0.6
143.03545	1.3
160.01692	1.7
161.02509	0.8
161.04585	4.2
191.31763	0.7
255.03133	1.2
256.03934	2.1
283.02939	0.8
284.03412	3.0
285.04202	1.5
341.21725	1.1
360.06543	0.8
399.23953	2.5
417.25092	3.0
444.04877	1.0
459.07269	7.7
460.07593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03463	0.4
59.01387	100.0
60.01723	0.8
61.98849	0.3
69.03465	0.2
69.06169	1.7
71.01389	7.0
72.99327	0.2
73.02956	1.6
79.60558	0.2
83.01417	0.8
85.02966	3.3
87.00930	0.3
87.04545	0.7
89.02461	1.6
95.01437	0.6
97.02957	0.3
99.00903	1.0
101.02461	2.8
113.02464	7.1
119.03550	0.4
123.63626	0.2
156.47476	0.2
159.03090	0.5
161.04561	2.9
209.37933	0.2
235.84833	0.2
255.19669	0.3
275.84464	0.2
399.23892	4.6
399.29041	0.2
400.24530	0.7
417.24789	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	459.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11707	0.3
57.03470	0.5
59.01386	100.0
60.01722	0.7
69.06224	2.9
69.06606	0.8
69.24337	0.3
71.01392	7.6
73.02954	2.2
77.50320	0.4
83.01409	1.1
85.02964	2.7
87.00895	0.6
87.04549	0.5
89.02464	2.9
95.01472	0.7
98.22557	0.7
99.00880	0.8
101.02459	5.8
101.06091	2.5
113.02458	3.9
119.03538	1.1
125.02440	0.4
143.03539	0.8
161.04565	2.7
179.05762	0.8
185.15637	0.3
243.36932	0.4
255.19789	0.8
297.20810	0.9
309.61151	0.4
381.22885	0.4
399.23932	3.2
417.24939	5.2
418.25595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3121
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
56.37260	1.0
59.01390	5.5
61.19810	1.0
62.77131	0.9
70.02863	3.6
98.22386	1.3
105.50758	1.1
116.92815	1.2
202.87500	1.1
208.06885	1.1
262.78860	1.1
320.15866	1.2
399.28934	6.9
413.30450	5.4
459.30844	100.0
460.31302	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	459.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96272	0.6
58.60067	0.7
59.01382	1.3
69.06757	3.3
69.07180	3.0
78.51899	0.6
81.58029	0.8
85.86182	0.7
89.87142	0.6
94.67715	0.8
190.58778	0.8
245.19220	1.1
273.18817	2.0
275.20313	2.7
287.20236	5.7
289.21765	17.7
289.25064	1.0
290.22421	1.2
291.23337	36.0
292.23566	3.3
305.21246	1.2
323.22302	13.9
324.22867	1.4
459.35034	100.0
460.35352	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	459.3485
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.02071	0.4
55.40553	0.4
57.03452	4.8
59.01384	1.7
60.83248	0.6
60.99306	0.8
62.55323	0.5
70.90315	0.7
70.90641	0.7
85.01336	0.5
103.67174	0.4
127.20377	0.5
127.21401	0.5
147.51979	0.4
153.84100	0.4
164.32095	0.5
210.98055	0.5
223.50192	0.4
238.35042	0.5
299.01337	0.4
383.29599	4.2
385.31113	4.0
399.27878	0.9
399.32648	6.0
400.33224	1.1
415.28912	0.4
415.30359	0.6
415.35938	6.9
416.36157	1.0
441.33893	1.0
459.34955	100.0
460.35391	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	459.3849
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
53.26892	2.8
69.57924	14.5
70.64384	2.4
87.52729	3.1
94.87492	2.6
98.22462	2.6
105.22537	2.6
116.92863	3.9
155.14705	2.6
200.63893	2.9
308.88589	2.5
418.51355	3.1
459.38562	100.0
459.45062	6.0
460.38812	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	459.3854
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
71.04354	8.3
71.54644	4.0
83.61269	4.3
98.95697	3.8
181.48993	4.1
459.38498	100.0
460.39008	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	460.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.0
59.90853	0.8
61.98837	100.0
69.22975	6.1
71.01380	3.3
71.58051	0.7
73.02970	1.3
73.97289	0.7
85.02971	1.0
89.02446	2.6
98.21796	1.3
101.02396	1.8
107.01414	1.0
111.04635	0.9
113.02463	1.3
116.03997	0.8
119.03499	0.8
120.25850	0.9
161.04526	0.9
255.03024	21.6
256.03745	1.0
269.04581	2.2
283.02499	18.1
284.03293	11.0
297.04153	5.7
298.04828	7.0
299.02429	0.9
299.05627	15.2
313.03360	1.4
446.08548	4.1
461.10980	28.7
461.23996	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	460.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.2
60.01722	1.7
61.98837	100.0
69.06372	10.9
71.01395	4.1
73.02937	1.1
85.03004	1.1
89.02459	3.1
101.02438	1.5
113.02366	1.5
119.03538	1.2
120.03762	1.0
123.13733	1.0
152.25296	1.2
154.38583	1.1
154.61662	1.0
161.04533	2.3
161.05943	1.1
187.05571	1.1
255.03004	27.1
256.03745	1.8
269.04657	2.7
283.02536	21.3
284.03296	16.2
297.03955	6.1
298.04926	7.1
299.02347	2.1
299.05612	15.7
313.03549	1.7
397.56747	1.4
446.08493	4.9
461.11002	27.8
461.23868	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	460.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.00581	1.0
59.01384	100.0
59.29924	1.0
60.01714	8.7
61.01802	1.4
61.98835	75.1
63.99253	1.2
69.17502	7.2
69.17899	2.1
70.91893	0.9
71.01390	22.2
72.01740	4.6
72.58927	0.9
72.99316	1.6
73.02945	5.7
75.00856	1.0
75.12025	0.9
78.59515	0.9
83.01406	2.8
85.02965	8.3
86.03306	1.4
87.00864	1.9
89.02457	17.5
90.02763	2.6
96.38794	0.9
97.06590	1.7
98.06935	1.0
99.00913	1.8
101.02458	14.5
102.02773	2.1
113.02460	10.9
114.02797	2.7
119.03512	7.6
120.03829	1.9
127.07682	1.0
143.03522	1.4
159.03070	1.4
160.03355	0.9
161.04559	5.8
162.04918	1.9
179.05650	2.1
179.68262	1.0
181.52403	0.9
203.88963	0.9
220.14264	1.8
237.14946	1.1
238.15460	1.9
255.02969	2.0
366.25848	1.0
441.41721	0.9
460.22562	1.6
461.10837	2.3
461.23740	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	460.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27298	2.7
59.01386	40.6
61.98839	100.0
69.13206	19.1
69.13612	4.1
71.01392	26.1
73.02952	7.6
74.46212	2.4
83.01400	3.4
85.02956	10.9
85.10067	2.7
85.86667	2.9
89.02473	18.3
90.30450	3.2
95.01366	2.7
99.00893	4.5
101.02450	17.3
113.02472	9.5
119.03506	5.7
136.55313	2.8
159.02824	3.0
161.04576	24.5
209.11824	2.6
248.43755	3.1
306.24213	2.8
314.96750	2.6
417.24994	34.7
418.25211	6.4
460.22720	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	460.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41542	5.1
59.01385	58.5
67.36889	5.0
68.06067	5.3
69.20104	12.8
69.20513	36.4
71.01392	48.0
73.02946	19.6
81.24061	6.0
85.02968	18.8
89.02441	33.9
101.02458	39.7
113.02476	31.7
119.03513	6.5
122.92767	5.4
143.03532	8.8
161.04594	48.7
222.68581	6.0
417.25061	100.0
418.25500	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	461.1093
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.01393	3.4
61.33627	0.3
61.88063	0.3
61.98820	0.7
65.00345	0.4
71.27715	0.4
88.98457	0.4
89.02429	0.4
94.98473	0.4
101.02443	0.7
105.19997	0.4
107.01390	0.6
107.55653	0.4
129.02003	0.5
140.21779	0.4
151.00339	1.1
155.26237	0.3
183.04536	0.7
227.13063	0.5
255.03006	99.9
256.03387	8.4
268.03757	1.2
269.04584	5.1
270.04965	0.6
281.04501	0.8
283.02505	71.3
284.03162	14.9
285.04016	3.8
287.14908	0.9
297.04065	14.0
298.04831	17.0
299.05554	10.0
313.03519	4.6
314.04016	0.5
327.04846	0.6
343.21243	0.5
446.08569	20.3
447.08884	1.7
461.10947	100.0
462.11337	12.0
471.70462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03444	2.2
58.00592	3.5
59.01384	100.0
61.98838	2.9
65.22509	1.1
69.66789	6.2
71.01390	62.6
71.56636	1.0
72.99312	3.3
73.02958	7.0
75.00869	2.2
83.01400	4.1
83.05035	14.5
85.02961	15.8
85.87323	1.0
86.00111	1.1
87.00871	6.9
89.02456	72.1
93.03476	3.6
95.01400	3.2
97.02964	1.9
99.00891	3.6
101.02453	39.9
113.02468	29.9
119.03518	29.4
119.05012	12.1
125.02451	1.5
131.03525	8.9
137.02466	10.7
137.06079	11.3
138.05602	2.1
143.03519	7.7
149.04541	2.8
151.85927	1.1
159.03026	2.0
161.04565	19.5
179.05629	35.2
180.05984	1.7
181.05174	1.6
203.10828	5.3
221.06676	23.3
221.11795	6.7
222.07074	1.6
239.12817	1.3
263.07834	5.7
299.11392	23.7
300.11774	1.9
433.16736	1.2
461.16739	38.8
462.17123	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	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
55.83505	1.0
57.03448	2.0
58.00603	3.1
59.01388	100.0
65.85898	1.0
69.14050	10.2
71.01393	56.1
72.99301	5.3
73.02962	16.2
75.00875	3.7
83.01392	3.6
84.97291	1.3
85.02958	13.6
87.00898	3.0
89.02458	62.2
93.03445	1.4
95.01408	3.7
95.05020	1.1
97.02966	1.3
98.21705	2.0
101.02460	30.6
106.45941	1.2
111.00877	1.8
113.02467	21.4
117.01974	1.9
119.03521	29.1
119.08684	53.6
120.09062	2.0
129.06801	1.1
131.03482	2.1
131.58047	1.2
135.03038	3.7
137.02449	2.8
137.06204	1.4
137.09731	8.1
143.03497	4.3
149.04526	3.3
154.99890	2.7
161.04611	6.5
163.07709	5.3
164.24773	1.2
165.09232	3.0
167.03445	1.3
179.05640	10.9
181.08775	3.7
191.05414	1.1
255.03014	3.3
283.02600	1.8
284.03275	1.9
298.04584	1.7
299.05652	1.7
303.14709	1.9
343.14017	61.2
344.14340	5.0
357.15616	1.6
401.17694	1.1
461.10785	3.1
461.16541	26.4
462.17068	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89312	1.5
54.58333	1.2
57.03450	4.6
59.01385	100.0
69.24581	4.6
69.24986	4.8
71.01379	5.3
73.02944	5.8
75.00876	2.2
83.01375	3.3
85.02956	4.4
87.00883	43.4
89.02473	1.9
93.03412	1.6
99.00866	2.0
99.04564	1.9
101.02448	7.9
111.00921	7.0
113.02450	1.7
129.01953	17.5
130.99825	2.1
147.02998	18.8
166.93132	1.2
173.04530	1.3
207.13895	6.0
209.11804	5.2
225.14970	21.2
227.12917	48.9
228.13113	2.2
251.12856	2.9
269.14001	13.3
278.45270	1.4
287.15036	37.1
288.15347	2.4
320.87476	1.4
339.69336	1.4
399.16669	3.2
417.17752	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	461.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	5.2
57.04084	1.6
59.01383	100.0
61.11243	1.4
61.98812	3.0
69.10265	14.2
71.01402	12.6
73.02956	4.0
75.00864	2.0
83.01388	3.6
85.02947	7.2
87.00887	7.7
89.02452	10.0
93.03465	2.2
97.06602	2.3
101.02440	8.9
108.02200	2.8
111.00874	6.4
113.02447	4.4
119.03535	3.7
129.01978	14.9
135.04500	1.7
146.40794	1.9
147.03011	20.6
151.08537	1.8
153.01894	2.1
161.04543	1.9
161.52885	1.8
164.04750	2.7
179.07123	3.0
196.01936	2.0
207.13911	4.6
209.11882	3.4
225.14998	20.5
227.12895	32.8
256.03738	2.5
269.13974	15.5
287.14996	24.0
327.49490	1.8
343.21249	4.8
399.16544	6.3
417.17651	19.4
443.23001	2.1
461.11142	3.9
461.24124	20.2
462.24496	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	461.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	18.5
61.98844	4.0
67.60233	2.7
69.06741	5.2
69.07140	21.0
71.01381	9.1
85.02978	3.5
89.02483	6.5
96.96007	5.1
101.02476	5.1
113.02422	2.8
119.03517	2.7
119.05067	5.9
125.02455	2.6
129.03474	7.8
147.04555	35.9
164.04834	9.8
165.05594	100.0
166.05898	5.5
211.04459	6.7
239.09317	78.5
240.09633	4.1
461.29654	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.4
59.01384	100.0
60.01700	2.0
61.98813	3.5
64.79947	1.7
71.01388	12.0
72.99320	2.2
73.02956	3.3
75.00862	2.1
77.18645	1.7
83.01408	3.9
85.02958	7.2
87.00893	7.6
89.02451	15.2
93.67350	1.8
101.02459	8.5
111.00884	5.2
113.02459	7.8
119.03532	6.5
129.01952	12.7
147.03035	20.4
169.74171	1.9
170.76373	2.1
179.05661	2.5
179.07126	4.2
191.05592	2.3
197.84163	2.0
207.14008	2.8
209.11885	5.9
225.14948	13.7
227.12918	30.7
269.13995	12.9
281.17538	2.1
287.15033	28.8
288.15369	3.0
291.90628	2.0
343.21307	6.2
399.16473	3.6
417.17575	12.7
461.11118	2.7
461.24332	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01092	6.4
59.01385	100.0
66.99598	4.0
69.40283	3.4
69.56689	7.7
69.57079	8.9
71.01393	53.6
72.99316	5.3
73.02946	16.3
75.00867	6.5
75.34217	3.4
81.32922	3.4
85.02969	15.5
87.00896	11.2
89.02462	55.5
98.21870	7.9
101.02452	32.5
113.02486	19.2
119.03501	21.3
119.08707	12.3
121.06693	8.8
131.03513	7.2
135.03006	7.9
144.05826	7.5
149.09737	14.6
151.07661	5.1
159.08157	5.9
161.04570	16.0
161.09833	3.9
163.07652	4.0
177.09218	44.3
179.05634	14.4
179.10889	3.3
181.03093	4.1
188.08607	4.4
193.12352	11.2
203.10774	9.2
205.08607	3.9
221.11874	59.3
239.12935	26.8
269.10336	6.6
298.24564	3.5
343.13928	20.0
401.18170	28.3
402.18631	3.9
461.16684	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.5
58.00597	0.5
59.01387	100.0
60.01728	0.9
71.01395	5.5
71.27425	0.7
72.02760	0.5
72.99323	0.9
73.02972	1.7
83.01411	1.0
85.02979	1.7
87.00889	0.7
89.02454	5.1
93.03507	0.7
95.01401	0.6
101.02441	2.9
113.02482	2.2
119.03563	1.4
131.03564	0.5
137.02444	0.8
154.99921	0.5
158.42871	0.4
161.04608	1.7
179.05748	0.5
180.84064	0.5
191.05865	0.4
211.04378	1.9
217.29051	0.4
281.09775	0.5
343.14258	0.7
359.17398	1.0
401.18051	0.6
461.16406	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	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79600	0.8
56.02617	0.8
57.03431	2.6
59.01385	42.6
59.98437	0.9
60.99300	3.3
61.01781	1.0
61.98820	1.0
67.01892	8.6
67.87939	0.7
69.03446	2.6
69.28026	6.5
71.01385	6.7
73.02945	1.7
81.03454	1.5
83.01408	1.7
83.05017	1.7
85.02968	9.3
85.68725	0.7
87.00886	20.7
89.02442	2.5
89.58771	0.7
93.03470	66.1
94.03801	2.6
98.44921	0.8
99.00867	1.5
101.02444	2.9
109.02975	1.7
111.00877	1.3
111.04535	9.9
113.02463	1.7
127.03999	1.2
129.01958	3.9
137.02533	0.8
147.03033	1.4
154.99843	0.9
155.03525	2.3
173.04564	27.1
173.06041	1.5
174.04831	1.0
185.59880	0.8
191.05630	71.1
192.05975	1.5
207.13905	2.2
209.11871	3.3
222.46797	0.9
225.14964	4.0
227.12936	18.1
233.06645	1.9
269.13913	4.5
271.02536	0.8
287.15045	20.0
288.15286	2.0
370.22784	0.8
401.17889	1.4
443.19171	2.2
461.20316	100.0
462.20499	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	461.3282
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
57.03444	1.2
59.01375	1.5
61.98829	0.6
62.37416	0.5
67.94028	0.5
71.28637	0.7
78.95929	0.7
97.31979	0.4
108.14998	0.6
123.81883	0.5
124.21484	0.5
186.33502	0.5
200.24603	0.5
272.21439	0.5
293.21255	1.7
383.29584	3.1
397.31232	0.8
399.32739	30.1
400.33310	2.4
417.33875	11.7
418.34225	1.8
431.31949	0.8
443.31732	6.5
444.31833	0.7
460.68365	0.7
461.32880	100.0
462.33163	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	461.3279
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
59.01387	54.6
59.45609	1.5
70.08996	1.5
71.06276	3.2
73.37619	1.3
73.78688	1.5
84.39634	1.4
112.26339	1.5
176.34645	1.7
177.60258	1.4
181.26123	1.6
230.52586	1.5
243.41998	1.8
279.23358	4.3
399.36053	2.2
461.32687	100.0
462.33041	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	461.328
Annotation	Stoloniferone T
Peak:m/z	Relative Intensity
59.01388	7.2
59.44888	1.0
70.53233	3.2
76.59687	1.0
78.58794	1.0
86.53191	1.0
92.86657	0.9
99.19849	1.0
100.31245	1.1
101.58869	1.0
118.32157	0.9
128.18520	0.9
139.68098	0.9
147.57033	1.0
152.09746	0.9
193.52699	0.9
260.79648	1.0
337.20758	1.1
339.27072	1.7
359.00970	1.1
361.09482	1.2
399.29089	16.7
400.29190	2.2
410.12177	1.3
415.32303	5.1
416.32275	1.0
417.33572	3.0
435.34775	1.9
461.32745	100.0
462.33115	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	461.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59963	0.6
57.81821	0.6
59.01384	1.3
70.08636	2.7
86.66859	0.7
104.41631	0.7
164.18031	0.7
203.76657	0.6
238.00270	0.6
371.29431	1.0
401.30557	0.9
417.34024	0.8
461.32712	100.0
462.33087	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	462.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32846	13.3
59.01387	38.0
61.98840	100.0
69.12026	95.8
70.41028	11.6
71.01395	16.3
131.42746	12.5
140.51158	12.6
176.44977	11.6
245.81831	14.7
401.26730	17.0
463.26245	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	86.2
59.15197	44.5
61.98841	94.3
70.98557	100.0
87.54342	57.0
94.82944	47.3
116.43829	47.0
255.03090	50.3
283.02533	61.2
284.03162	84.1
463.26611	66.8
484.44724	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.2
59.10471	0.6
63.02383	1.4
65.00322	3.8
67.01890	1.0
70.59560	1.9
71.01390	3.9
73.02933	0.8
83.01386	2.5
85.02937	0.9
89.02465	1.9
93.03452	1.2
95.01370	1.3
98.22186	1.4
101.02454	1.8
107.01393	7.2
108.02207	2.5
109.02959	2.7
111.00885	1.3
113.02451	1.1
121.02959	5.2
123.00892	6.2
124.01681	5.0
125.02460	0.9
128.03540	1.6
131.46013	0.6
135.00897	1.4
137.02386	0.7
147.00847	0.7
148.01653	1.8
149.02464	1.1
151.00386	21.3
163.00352	2.7
164.01164	1.3
169.01428	1.5
175.00392	1.5
178.99869	6.0
183.04449	0.8
191.05609	1.0
192.00610	0.9
199.03964	1.3
201.01921	0.6
201.05577	1.3
203.03647	0.8
203.15742	0.7
209.73567	0.6
211.04103	2.0
212.04810	0.7
213.03925	1.0
215.03441	0.9
216.04211	0.7
226.02716	2.8
227.03444	3.3
229.05164	1.1
239.03528	0.7
243.03064	12.2
244.03381	1.0
245.04572	2.0
249.52156	0.7
254.02164	2.2
255.03008	27.1
256.03467	3.2
271.02518	65.4
272.02988	6.8
273.04001	2.3
283.02496	1.5
286.08585	1.2
299.02090	1.6
300.02786	100.0
301.03543	93.5
301.06268	1.4
301.10770	19.7
302.03885	7.2
302.11179	2.9
343.04761	1.3
463.08890	80.2
464.09125	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83989	0.4
59.01394	3.8
61.98828	0.9
63.02387	0.6
65.00337	2.3
69.39902	2.9
71.01377	1.8
74.57320	0.4
79.40926	0.4
83.01384	1.8
84.15708	0.4
85.02957	1.1
89.02471	0.8
92.27123	0.4
95.01386	0.8
98.21742	0.5
101.02435	0.8
107.01402	4.6
113.02481	0.5
121.02937	3.5
123.00926	1.1
124.01667	1.2
125.02456	1.9
127.05926	0.5
133.03023	0.5
145.02890	0.5
147.00899	0.9
148.01674	3.4
149.02461	13.8
151.00388	13.2
152.01134	1.6
152.03523	0.5
165.01944	0.9
171.04681	0.6
175.00346	1.1
175.04059	0.4
176.01080	0.5
177.01898	1.4
191.03531	1.2
191.05518	0.9
215.03458	1.5
216.04262	0.8
217.01292	0.7
227.03557	0.7
233.04456	0.8
241.05182	0.7
243.03024	1.9
255.03036	0.9
256.03745	1.2
271.02576	2.8
272.03098	0.6
283.02463	1.9
284.03159	0.5
285.03967	0.6
299.02002	1.8
300.02777	42.3
301.03549	100.0
302.03925	6.5
313.03488	1.1
315.08789	0.7
327.08701	0.7
421.75522	0.5
463.08875	45.1
463.30872	1.0
464.09216	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.2
59.10471	0.6
63.02383	1.4
65.00322	3.8
67.01890	1.0
70.59560	1.9
71.01390	3.9
73.02933	0.8
83.01386	2.5
85.02937	0.9
89.02465	1.9
93.03452	1.2
95.01370	1.3
98.22186	1.4
101.02454	1.8
107.01393	7.2
108.02207	2.5
109.02959	2.7
111.00885	1.3
113.02451	1.1
121.02959	5.2
123.00892	6.2
124.01681	5.0
125.02460	0.9
128.03540	1.6
131.46013	0.6
135.00897	1.4
137.02386	0.7
147.00847	0.7
148.01653	1.8
149.02464	1.1
151.00386	21.3
163.00352	2.7
164.01164	1.3
169.01428	1.5
175.00392	1.5
178.99869	6.0
183.04449	0.8
191.05609	1.0
192.00610	0.9
199.03964	1.3
201.01921	0.6
201.05577	1.3
203.03647	0.8
203.15742	0.7
209.73567	0.6
211.04103	2.0
212.04810	0.7
213.03925	1.0
215.03441	0.9
216.04211	0.7
226.02716	2.8
227.03444	3.3
229.05164	1.1
239.03528	0.7
243.03064	12.2
244.03381	1.0
245.04572	2.0
249.52156	0.7
254.02164	2.2
255.03008	27.1
256.03467	3.2
271.02518	65.4
272.02988	6.8
273.04001	2.3
283.02496	1.5
286.08585	1.2
299.02090	1.6
300.02786	100.0
301.03543	93.5
301.06268	1.4
301.10770	19.7
302.03885	7.2
302.11179	2.9
343.04761	1.3
463.08890	80.2
464.09125	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70083	4.4
68.99048	26.7
68.99473	24.0
78.95888	12.8
98.21812	13.5
101.25435	4.7
108.72739	4.3
126.49819	4.7
129.46564	5.5
133.02974	13.4
151.00410	9.4
152.99608	18.5
245.10725	4.9
255.02995	46.4
256.03873	41.2
283.02499	65.9
284.03284	100.0
285.04071	80.6
286.04523	6.6
463.09576	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86255	0.5
63.02401	1.0
65.00316	1.9
69.89436	2.6
82.02820	0.6
83.01373	1.2
107.01414	4.1
125.02415	1.2
127.12402	0.6
132.02190	1.4
133.02968	14.8
148.83005	0.6
149.02412	2.7
151.00383	9.4
175.03984	3.7
183.04500	1.2
199.04080	3.8
201.02037	1.2
212.04631	0.8
213.05554	0.7
215.03548	0.8
217.05086	1.5
227.03519	2.9
241.05269	0.8
243.02916	1.4
255.03012	40.7
256.03760	32.5
257.04242	2.4
283.02512	59.0
284.03275	86.0
285.04056	100.0
286.04376	7.3
297.89291	0.7
298.04816	0.8
326.04312	1.4
327.04868	1.4
433.09326	1.2
445.09341	3.2
445.62997	0.7
463.10425	13.3
463.30603	0.7
464.10489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1462
Annotation	Phlorigidoside B
Peak:m/z	Relative Intensity
55.01880	5.2
57.03444	5.3
58.00600	2.6
59.01096	2.9
59.01386	52.8
69.81461	7.8
71.01391	100.0
72.99301	4.2
73.02949	20.9
78.55473	2.0
79.24337	1.9
83.01388	14.7
85.02956	41.4
87.00874	10.0
89.02448	39.8
93.03482	4.6
95.01414	14.2
97.02958	5.6
99.00890	9.7
101.02451	70.3
101.03130	3.5
113.02464	42.8
115.00359	2.0
119.03500	12.4
121.02995	3.6
123.00896	94.0
123.03314	2.3
124.01687	87.4
125.02473	2.2
131.03557	12.3
137.02440	6.9
138.03238	66.6
139.04027	74.6
140.04358	3.1
143.03534	14.8
147.04477	3.0
149.04605	2.4
150.03250	2.5
151.00439	3.0
153.01868	2.2
159.02985	7.7
161.04572	63.8
164.07140	5.3
166.02652	2.5
175.02562	2.6
178.02687	3.7
179.05688	4.2
181.05084	11.2
193.05040	5.6
221.06741	14.6
301.03769	4.9
301.09323	89.0
302.09650	6.3
322.06082	4.4
323.09821	3.1
463.08252	2.6
463.14563	49.5
463.30612	4.3
464.14893	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	463.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
57.03441	3.7
58.00579	2.4
59.01386	100.0
60.01709	1.4
61.98824	1.1
69.03445	2.0
69.11054	8.4
71.01389	65.6
72.01730	0.9
72.99298	2.5
73.02954	15.3
75.00885	4.6
82.65331	0.9
83.01382	7.6
85.02960	21.1
87.00871	3.8
89.02455	36.8
91.54099	1.0
95.01377	4.0
97.02928	2.2
97.20666	0.9
99.00902	6.2
99.04517	1.2
101.02455	36.2
113.02467	27.0
117.01945	2.7
119.02798	1.2
119.03519	13.0
121.10265	11.9
129.01906	1.2
131.03485	2.3
135.02983	3.3
137.02477	1.1
143.03496	1.4
149.04529	1.9
159.02980	2.1
161.04596	10.8
165.09161	3.0
167.10739	3.6
179.05563	2.7
225.14836	1.0
300.02686	3.1
301.03500	5.8
301.16394	1.5
303.10733	2.3
319.17587	1.0
344.95853	1.2
345.15549	69.8
346.15976	5.4
385.18701	7.3
463.08209	3.5
463.18045	73.5
464.18259	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03455	3.1
59.01385	100.0
69.22807	7.2
69.23212	2.9
71.01391	27.0
73.02947	9.3
73.33210	1.5
83.65639	1.2
85.02960	11.1
87.00850	2.0
89.02460	22.5
91.11547	1.4
92.78163	1.2
95.01438	2.2
97.06566	1.5
98.22568	3.2
99.00871	2.1
101.02464	14.9
101.66006	1.5
102.42790	1.5
109.02979	1.2
113.02469	12.6
119.03528	10.2
137.09848	1.4
139.07687	4.0
143.03500	1.7
143.07167	7.1
159.03055	2.6
161.04593	15.3
161.09776	9.3
163.11337	2.1
179.05658	6.1
179.10815	12.7
205.12390	3.9
223.13437	22.2
224.49413	1.6
241.14622	2.4
241.16985	1.4
283.10904	2.0
345.15579	8.9
403.19730	11.8
463.14606	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
58.00592	2.2
58.19695	1.2
58.91338	1.2
59.01385	100.0
61.98837	7.2
65.00326	1.1
68.47734	1.2
71.01390	36.2
71.25980	1.9
71.26365	1.5
72.99315	3.3
73.02963	2.3
83.01397	2.4
85.02960	8.2
87.00873	5.1
89.02460	53.0
92.46363	1.2
93.03472	3.6
94.07190	1.3
94.68488	1.1
95.01369	2.7
99.00907	1.2
101.02455	20.0
101.73384	1.4
102.73048	1.4
107.01406	5.4
108.02203	2.1
109.02958	3.6
113.02470	16.1
119.01493	1.3
119.03524	25.2
121.02956	4.2
125.02458	2.8
131.03513	2.2
137.02455	5.8
143.03481	3.4
149.02426	4.1
149.04575	1.6
151.00383	13.8
161.04567	5.5
163.00414	2.4
164.01202	1.4
165.01941	3.9
165.09253	7.3
175.00334	2.8
179.05611	15.3
190.51775	1.3
193.01416	1.8
211.04124	1.7
213.05881	3.3
215.03511	1.7
249.06467	1.6
255.02994	2.1
273.03970	4.6
300.02750	3.5
301.00079	1.8
301.03574	37.6
302.03928	2.9
463.08466	6.5
464.09003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17823	1.0
58.00579	0.9
59.01387	100.0
61.98838	48.7
63.30309	0.9
65.05624	1.2
69.37798	5.0
71.01392	22.4
73.02953	7.5
75.00887	1.2
82.42296	0.9
83.01402	1.9
85.02965	6.9
87.00887	2.5
89.02460	25.4
90.69999	1.0
95.01395	2.0
99.00880	1.7
101.02458	13.9
113.01723	1.3
113.02469	9.8
119.03537	10.8
125.02573	1.1
131.03496	1.6
138.05678	1.3
143.03545	1.9
149.04666	1.2
155.38919	0.9
159.06477	1.1
161.04596	8.3
165.09175	2.3
169.08875	0.9
179.05632	5.3
179.10701	1.4
191.05730	1.0
223.13376	1.7
223.32281	1.1
241.14500	8.2
242.14769	1.2
329.16196	5.0
355.17673	3.5
403.19778	3.0
463.15079	1.1
463.21829	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	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
55.52542	0.8
57.03446	1.4
58.00587	3.6
59.01384	78.4
60.01686	1.0
61.98816	3.9
65.00334	1.5
69.03436	1.0
71.01389	59.0
71.26264	1.4
72.60850	0.8
72.99317	6.4
73.02956	9.8
73.04077	6.9
74.02533	1.0
74.75076	1.0
75.00890	1.9
80.78941	0.8
83.01388	3.9
84.04553	1.4
85.02954	10.4
87.00899	8.7
89.02457	100.0
90.02776	1.1
94.40728	0.9
95.01411	1.4
97.02953	1.6
99.00884	3.1
100.96281	1.0
101.02453	43.3
102.05621	8.0
111.00897	1.6
113.02470	13.4
119.03523	11.7
125.02431	3.4
128.03551	24.9
130.08728	3.5
131.03520	37.7
132.03796	1.2
133.03014	1.2
134.03760	0.8
136.98792	1.4
137.02454	1.4
146.04622	6.1
149.04576	69.9
150.04889	1.4
161.04604	2.2
165.01944	1.2
170.27618	0.9
179.05644	1.9
191.05620	19.3
203.08214	1.2
213.05914	1.7
221.09390	1.2
242.11882	4.0
251.07726	1.1
253.04938	1.3
255.02847	1.0
258.05212	2.0
279.16153	1.0
285.03885	1.0
300.02731	6.9
301.03586	28.4
301.07004	2.8
301.10910	3.5
302.03989	2.5
331.17307	1.0
334.17801	9.0
345.15359	4.9
403.24081	1.0
419.23196	1.7
463.08664	7.9
463.21976	16.7
464.09332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03444	0.8
59.01385	100.0
60.01714	1.2
63.60487	0.4
69.10246	0.7
69.10652	3.5
71.01392	9.5
72.99321	0.9
73.02945	3.9
75.00899	0.5
80.46178	0.4
83.01393	3.3
84.84119	0.5
85.02964	5.2
86.53807	0.5
87.00912	1.3
89.02471	1.5
93.63637	0.5
95.01424	1.5
99.00911	1.4
101.02458	8.0
105.01959	0.6
107.01403	0.8
107.47604	0.4
113.02457	3.8
119.03493	0.4
125.02460	0.7
143.03531	0.5
151.00380	2.9
159.02997	0.4
161.04594	2.0
174.64188	0.4
225.05536	0.7
241.05309	0.4
255.03036	0.9
259.46036	0.4
281.04666	3.1
281.07294	0.5
283.02557	0.7
284.03201	0.5
285.04053	0.5
305.08060	0.6
307.02612	1.3
307.28214	0.4
333.07843	1.2
349.07422	0.5
361.22433	1.9
377.06531	2.3
387.05182	0.5
403.22748	1.1
403.27737	2.7
405.06290	1.3
421.23770	0.7
421.28275	1.5
433.05701	4.1
445.24756	3.4
448.08029	1.9
463.10559	15.0
463.25528	48.1
464.10782	1.9
464.25961	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30669	0.6
55.01887	1.3
57.03440	2.5
58.00589	2.0
59.01387	51.3
61.98816	3.2
63.42550	0.7
69.03463	1.0
69.35817	4.7
71.01390	21.3
71.05019	3.0
72.99303	2.6
73.02934	4.4
74.02464	2.4
75.00885	1.0
83.01389	3.3
83.05031	0.8
85.02966	8.9
85.97543	0.9
87.00869	2.9
89.02457	15.7
95.01383	1.9
98.22532	1.1
99.00884	1.0
99.08167	3.5
101.02457	14.4
108.04570	2.9
111.00945	1.4
111.08175	1.7
112.49347	0.7
113.02467	8.0
119.03527	5.2
124.07676	0.9
125.02428	1.1
125.09783	3.6
129.09254	9.2
131.03468	1.1
136.07701	5.7
161.04541	1.7
183.32350	0.8
190.05098	0.8
192.06717	1.0
193.01459	1.7
230.66588	0.8
255.03026	1.0
257.13000	13.6
258.13083	1.1
283.19110	3.6
289.16620	1.5
297.20773	0.8
300.02734	0.8
301.03537	3.1
301.12018	6.3
301.20230	31.0
302.20667	2.3
315.13498	4.2
343.13013	3.1
343.21249	1.1
345.22897	1.6
403.23593	1.9
421.20743	4.5
463.25531	100.0
464.25873	11.7
482.23114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3437
Annotation	SCHEMBL10014316
Peak:m/z	Relative Intensity
59.01398	1.8
69.19088	2.4
69.19491	8.1
74.58975	1.5
86.79678	1.4
105.52837	1.3
117.94551	1.1
123.82012	1.1
131.68166	1.2
158.64439	1.2
182.12915	1.1
195.13992	4.2
399.90652	1.2
463.34421	100.0
464.34796	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	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94488	0.6
59.01392	3.8
61.98839	100.0
69.03474	0.7
71.01387	2.1
74.50674	0.7
75.48009	0.6
85.03002	0.7
89.02473	1.5
98.21777	1.8
113.02448	1.2
155.14912	0.6
239.44952	0.6
327.53180	0.6
404.15536	1.3
434.61591	0.7
464.22357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69270	0.9
53.91227	0.8
54.66704	1.0
59.01383	17.8
61.98836	100.0
69.47118	6.5
71.01390	1.2
92.99356	1.2
94.54101	1.0
101.02430	1.5
105.41422	0.9
133.02962	2.4
151.00429	1.3
234.06459	1.0
256.03482	1.5
257.04193	2.1
269.51675	1.0
284.03113	4.4
285.03943	11.2
286.04410	11.4
291.88580	1.0
315.18347	1.2
353.80496	1.0
378.06812	1.1
445.05170	1.0
464.10645	13.6
465.11157	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	464.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.4
59.01394	70.1
60.01724	14.1
61.98839	100.0
69.23949	9.6
71.01381	20.8
71.26796	14.2
96.96030	29.4
105.07101	10.7
151.00386	10.4
178.15143	9.3
192.61346	10.0
196.02480	10.8
208.49426	9.7
285.03818	21.0
286.04517	14.6
308.90167	9.9
349.91943	13.3
403.28558	14.9
424.55481	10.8
465.28836	71.5
489.81937	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	464.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14781	33.4
59.01371	100.0
59.93721	33.6
60.83656	39.9
61.98825	74.0
71.01386	42.0
78.28072	32.9
78.95863	41.7
89.02430	32.1
89.04005	41.3
98.22548	75.9
124.32758	32.7
131.80247	34.1
165.89572	39.6
217.12488	39.8
223.25609	44.2
235.89525	35.8
266.75449	51.5
340.60791	42.6
379.42227	44.0
397.73132	43.6
464.30774	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96261	1.3
52.87281	1.2
58.93238	1.3
59.01381	12.4
61.98837	100.0
71.01398	13.3
71.27018	2.1
72.37507	1.2
73.65453	1.3
78.52782	1.2
83.01416	1.8
85.02975	3.6
89.02457	8.9
101.02462	7.9
109.57121	1.3
113.02444	2.6
119.03530	2.4
160.76520	1.2
161.04558	1.6
257.21130	1.4
272.52139	1.4
285.20724	2.7
289.16565	3.8
303.21713	6.3
421.20740	8.4
422.21100	1.6
464.25909	5.9
465.27087	29.5
465.97574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.76390	1.0
57.03450	9.3
59.01383	10.0
63.02410	1.5
65.00323	4.4
69.35062	7.1
71.01388	2.8
73.33450	1.0
80.52049	1.0
83.01395	6.7
89.02459	4.8
93.03481	1.4
97.02933	2.1
98.21786	1.3
101.02517	1.4
107.01395	7.5
109.02965	3.8
113.02435	1.4
121.02966	1.7
123.04521	5.4
124.01672	2.1
125.02462	100.0
126.02769	2.3
133.60126	1.1
137.02451	3.3
139.04030	3.1
144.58908	1.3
149.02458	13.5
151.00388	27.5
151.04036	2.1
152.01128	3.3
153.01970	28.1
161.02483	1.2
163.00383	1.1
165.01920	1.5
167.03532	1.6
174.03278	2.1
175.00418	5.8
175.03992	9.9
177.01967	18.3
178.99876	19.7
181.01454	12.7
188.04797	2.5
189.01921	1.2
189.05569	2.6
191.03653	2.8
195.02922	1.7
199.03978	5.4
201.01880	2.1
217.05070	6.4
241.05069	3.6
257.04407	1.4
259.06085	4.0
275.05649	22.0
285.04092	47.3
286.04498	2.8
299.05612	6.8
303.05121	68.6
304.05530	3.7
341.05133	8.6
343.06863	7.5
405.21484	6.3
435.51151	1.3
437.11023	2.4
447.09375	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	465.1043
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
52.61626	0.9
57.03452	8.5
59.01385	31.8
61.98830	9.1
63.02406	1.3
65.00324	3.3
71.01395	9.4
74.02470	2.4
80.64969	1.1
82.47549	1.1
83.01387	7.4
85.02978	2.6
87.00900	1.2
89.02464	6.9
90.24638	1.1
93.03477	2.1
95.01422	1.1
95.35059	1.1
96.00936	2.4
98.02495	1.1
98.22519	2.8
99.04559	4.0
101.02464	5.1
107.01406	3.5
109.02968	4.6
111.00818	1.1
113.02469	3.9
113.03579	2.1
119.03544	2.4
119.05035	1.2
121.02931	2.2
123.00887	1.2
123.04557	5.0
123.08170	2.1
124.01681	1.4
125.02463	77.1
125.06111	3.6
126.02813	2.2
128.24055	1.2
133.02954	1.8
137.02487	2.0
139.04030	2.5
141.02133	1.0
147.04564	1.4
149.02444	7.2
150.03183	1.4
151.00394	27.6
151.04030	3.4
152.01082	2.6
153.01958	15.3
159.04562	1.1
159.59068	0.9
161.04562	2.2
163.00401	7.5
163.11427	1.4
165.01999	1.8
167.10863	1.1
169.01518	1.4
174.03282	2.0
175.04005	11.1
176.01175	5.9
177.01935	19.0
178.02466	1.3
178.99872	13.5
179.05675	2.0
181.01425	2.4
185.08203	2.4
188.04938	1.2
189.05588	3.4
189.55167	1.2
193.05113	3.0
197.06224	1.0
199.04001	6.0
201.02031	1.6
207.10603	1.3
213.05609	3.7
217.05124	10.2
228.74783	1.2
241.05045	6.0
241.14420	1.7
243.03015	1.9
243.12396	3.3
257.04645	1.6
259.06100	2.6
271.09772	1.4
275.05615	9.0
284.03348	1.7
285.04095	100.0
285.13443	3.7
286.04410	7.6
303.05145	53.0
303.14517	23.2
304.05383	3.7
304.14905	2.4
313.20953	1.2
315.07318	1.2
327.05008	1.2
341.05191	4.2
345.15454	2.2
372.92355	1.0
407.92181	1.2
430.16165	3.2
447.09250	2.0
447.18918	2.0
465.10159	2.7
465.19852	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	465.1045
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03452	12.8
57.84498	1.3
59.01389	13.0
61.83925	1.2
61.98837	2.3
63.02377	1.5
65.00320	3.8
65.03027	1.4
65.69506	1.3
69.17581	8.8
71.01385	9.3
73.02934	2.5
75.00889	1.7
81.72133	1.5
83.01389	6.0
85.02959	3.1
89.02454	9.1
93.03503	1.7
98.22523	2.4
99.00878	1.9
101.02453	6.2
107.01379	4.1
109.02964	3.9
111.00882	1.8
113.02447	3.7
113.28515	1.3
119.03501	4.9
121.02905	1.7
123.04552	6.6
124.01685	3.5
125.02464	100.0
126.02807	2.5
135.04491	1.3
135.07310	1.4
137.02464	5.1
139.04022	1.7
147.04558	2.2
149.02423	4.7
150.03223	2.8
151.00380	16.4
151.04019	5.5
152.01157	10.4
153.01985	10.5
161.02469	2.1
161.04614	3.2
169.08914	1.3
173.06157	2.0
174.03166	3.3
175.04005	22.8
177.00496	2.3
177.01936	21.8
178.02246	1.4
178.98705	1.4
178.99915	14.7
181.01396	2.9
185.11900	1.4
189.05588	4.3
191.03578	1.8
191.07188	1.3
193.05031	1.5
199.04047	10.7
201.01936	2.7
213.05699	1.6
216.04311	2.0
217.05078	14.0
218.05443	1.5
241.05066	7.7
255.07848	1.4
259.06100	6.0
266.47324	1.7
275.05560	6.4
285.04083	79.7
286.04440	6.0
303.05139	65.7
304.05405	4.5
321.15561	2.8
347.17068	3.0
465.10342	51.6
465.26978	5.9
466.10730	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	465.1045
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03228	0.9
57.03453	10.7
59.01136	0.8
59.01385	8.9
61.98823	1.4
62.00175	0.7
63.02393	0.8
65.00326	4.0
67.01896	0.8
71.01388	6.5
72.99272	0.7
73.02946	1.7
78.95896	1.2
83.01389	6.1
85.02951	3.1
87.00914	1.4
88.79356	0.9
89.02462	4.6
95.01375	2.9
95.04983	0.9
98.21730	1.7
101.02460	5.3
107.01400	4.7
109.02946	3.2
111.00899	1.1
113.02466	2.8
115.38773	0.9
115.83498	0.7
119.03510	1.9
121.02965	2.2
122.03738	1.3
123.00862	1.8
123.04514	5.6
124.01711	5.4
125.02467	100.0
126.02770	2.4
135.04491	0.8
137.02452	3.6
139.04039	2.2
140.19733	0.7
147.04543	1.6
149.02434	4.8
150.03217	3.4
150.99205	1.2
151.00397	22.6
151.04015	7.1
152.01175	9.8
153.01958	13.5
161.02470	1.0
161.04599	1.8
161.06027	1.1
163.00397	1.2
165.02026	1.1
165.05562	1.7
171.04449	1.1
173.06065	1.2
174.03246	2.2
175.04034	20.6
176.01096	0.9
176.04352	1.1
177.01955	25.1
178.02238	1.2
178.99886	17.2
179.05663	1.1
180.00272	0.9
181.01454	2.7
185.11844	1.1
187.59293	0.8
188.04767	2.0
189.05595	5.8
191.03639	0.9
193.05122	1.8
199.04037	10.1
200.04471	0.8
201.01970	3.2
213.05579	2.0
215.16487	0.7
216.04286	2.6
217.05075	12.4
231.06613	2.2
241.05051	9.1
242.02226	1.2
243.02907	1.0
257.04712	1.9
259.06128	5.0
259.09970	0.8
260.06616	1.1
275.05670	6.0
285.04092	76.3
286.04443	6.0
303.05139	63.8
303.12411	3.0
303.21722	1.0
304.05518	5.3
321.15393	1.1
339.07227	1.1
347.13220	0.9
347.17200	3.1
430.16119	1.1
447.08981	1.8
465.10349	47.6
465.20026	1.4
465.27390	4.7
466.10767	5.8
481.86954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1043
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.62453	0.5
57.03180	0.8
57.03455	12.9
59.01385	6.1
61.56878	0.4
61.98833	1.8
63.02412	0.8
64.28309	0.5
65.00327	2.5
71.01384	4.8
71.27470	0.7
73.02955	1.7
73.09802	0.5
75.00872	1.5
81.03458	0.5
83.01408	5.5
85.02972	1.3
87.00897	0.6
89.02462	2.9
93.03487	1.0
95.01405	4.1
99.00923	0.5
101.02463	2.0
105.12917	0.4
107.01409	3.5
108.02238	0.6
109.02971	3.8
111.00885	2.4
113.02469	1.5
119.03513	1.1
121.02992	1.7
123.00909	3.0
123.04565	2.7
124.01690	8.2
125.02467	100.0
125.46452	0.5
126.02778	2.9
133.02980	2.0
135.03004	2.8
135.04553	0.7
137.02432	2.2
139.00385	1.6
147.04572	1.9
149.02487	3.8
150.03253	2.9
151.00381	11.4
151.04015	6.0
152.01181	14.0
153.01968	7.1
161.04590	1.0
161.06087	1.2
163.00433	1.0
165.05676	0.7
169.01466	0.8
171.04466	0.6
171.86755	0.5
172.05412	0.7
173.02545	0.5
173.06100	1.3
174.03241	1.5
175.04034	5.6
176.01125	1.7
177.01959	3.8
178.99878	6.9
181.01443	1.1
187.07678	0.6
188.04817	1.4
189.05605	4.3
190.02705	0.5
191.03546	2.1
191.05521	0.8
191.07147	0.8
193.05099	3.2
195.87930	0.5
196.65616	0.5
199.04022	1.6
201.02045	0.6
203.07173	1.0
212.75620	0.5
215.07195	1.5
216.04292	1.6
217.05101	9.7
219.03113	0.6
229.05148	0.6
231.06613	1.8
235.06256	0.5
241.05064	1.5
242.02217	0.5
256.03760	0.7
257.04541	0.7
258.05399	0.7
259.06140	12.8
260.06494	0.9
261.18896	0.4
267.02985	0.6
274.04895	1.7
275.05640	9.7
276.06168	0.5
278.65009	0.5
284.03271	1.3
285.04077	24.8
286.04480	2.3
303.05106	9.4
303.13382	0.5
303.21759	1.1
304.05518	0.6
328.97238	0.5
347.17038	1.6
421.11475	2.4
437.10950	18.1
437.16983	1.0
438.11166	1.4
444.33310	0.5
447.03534	0.9
447.09314	7.3
448.09488	0.9
465.10391	63.9
465.27118	2.6
466.10684	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	465.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93454	1.4
57.03427	2.3
59.01384	100.0
61.98827	3.9
69.73746	2.6
69.74155	4.1
71.01391	20.2
73.02950	2.3
85.02939	4.9
87.04543	2.4
87.82275	1.2
89.02457	28.0
95.84296	1.3
99.04533	4.0
101.02464	10.8
102.98660	1.4
106.48217	1.7
113.02469	9.1
119.03529	12.0
125.02429	1.5
128.22778	1.5
132.55669	1.6
161.04602	2.7
164.54437	1.4
179.05653	7.7
185.08159	2.7
224.50607	1.4
241.14468	3.0
285.13474	7.3
298.38620	1.4
303.14423	3.8
405.16995	1.8
405.21442	19.1
406.21954	2.0
465.19971	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	465.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	2.1
69.10075	6.5
69.10482	3.7
71.01395	10.5
72.99328	1.3
73.02970	1.7
85.02955	1.8
89.02454	13.7
98.22540	2.5
101.02488	7.3
113.02459	3.6
119.03529	8.0
125.02458	5.3
135.04514	2.9
149.04559	1.7
151.00348	1.6
153.05603	1.5
161.04523	2.2
179.03519	1.5
179.05635	5.6
191.05663	2.1
212.83704	1.3
230.45287	1.2
276.20950	1.3
285.04083	4.1
303.05060	3.7
375.07138	3.6
380.64236	1.3
396.46329	1.3
405.21246	2.8
465.15253	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	465.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
55.74769	2.4
56.32793	2.3
59.01385	100.0
60.78345	2.0
61.98837	41.2
64.99365	2.4
65.00340	2.5
69.08525	12.9
69.08948	8.5
71.01389	28.3
73.02959	33.0
78.95892	3.4
83.01412	11.6
85.02962	3.8
87.00861	3.6
89.02451	8.7
98.22562	3.9
101.02451	29.4
113.02442	8.7
131.03448	3.2
139.07683	2.2
140.86414	2.7
150.96898	2.8
161.04498	3.9
161.64651	2.3
184.06326	2.5
211.06149	7.3
221.23415	2.5
285.03854	3.3
311.14908	2.7
371.10132	2.6
384.25043	2.8
447.10480	3.4
465.27100	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	465.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68671	0.9
57.03442	2.6
59.01387	100.0
61.82993	1.0
61.98838	12.9
62.74790	1.0
66.93585	1.1
69.19000	8.1
71.01388	16.6
73.02972	1.8
78.42873	1.1
83.01382	1.4
83.05035	2.1
85.02953	4.0
85.32418	1.0
87.00886	2.8
89.02454	20.8
95.01385	1.5
97.06579	1.5
99.04534	17.4
101.02462	10.0
113.02470	5.4
119.03510	8.4
123.08195	5.6
125.06087	6.4
143.03558	1.4
160.52777	1.0
161.04591	2.7
163.11304	3.0
166.66507	1.1
167.07175	4.1
169.11264	1.0
169.72256	1.1
179.05580	4.4
185.08194	13.0
207.10226	2.2
223.13397	6.3
225.11411	2.6
227.12262	1.0
240.22076	1.2
241.14467	13.1
243.12378	2.9
267.12329	2.8
285.13492	57.6
286.13824	3.5
303.14581	14.4
345.15646	1.3
405.21524	11.4
406.21738	1.8
465.19760	37.7
466.20108	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	465.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31522	1.4
55.01874	5.0
57.03458	4.0
58.00608	2.9
59.01384	100.0
69.22952	1.4
69.23274	13.4
71.01387	75.6
72.01730	1.8
72.78185	1.5
72.99316	5.0
73.02957	18.7
75.00866	3.4
83.01394	10.7
85.02957	34.5
87.00887	6.7
89.02451	42.7
95.01414	4.9
97.02968	2.5
98.22572	3.8
99.00906	7.3
101.02449	53.6
113.02461	34.4
119.03526	15.0
125.02490	2.7
131.03546	8.7
135.03012	1.9
143.03532	5.5
149.04559	3.8
159.02998	5.3
161.04588	26.3
167.10796	4.8
179.05608	17.6
216.49556	1.9
221.06686	24.4
231.96748	1.9
263.07645	5.1
303.14523	1.8
347.17151	31.2
348.17490	3.3
423.18784	24.8
424.19550	2.7
431.06619	1.8
465.19742	30.7
465.25821	3.3
466.20453	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	465.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.7
57.03456	3.9
58.00599	2.3
59.01385	100.0
69.03454	2.2
70.48268	2.4
71.01391	66.9
71.59050	0.7
72.99335	2.6
73.02955	17.6
73.63487	0.6
75.00888	1.6
77.46293	0.6
78.07284	0.6
81.03462	1.1
82.52303	0.6
83.01401	13.8
83.01859	1.4
85.02962	25.2
87.00908	3.6
89.02455	33.2
89.84137	0.7
92.25827	0.8
95.01388	7.6
95.01841	0.7
97.02982	2.9
99.00891	7.2
101.02457	54.4
102.02795	1.7
103.57771	0.7
107.93591	0.7
108.58266	0.8
111.00915	1.0
113.02464	44.8
119.03519	12.9
119.04329	0.8
125.02473	8.5
125.91258	0.8
131.03535	2.5
135.03040	2.1
143.03500	6.7
149.04530	1.5
155.03546	7.1
159.03069	1.5
161.04582	18.5
167.32205	0.7
179.05627	9.0
203.05623	5.2
221.06593	0.8
227.12950	0.8
261.13528	2.5
274.66260	1.0
284.34140	0.7
285.20926	1.6
303.14545	0.8
347.17212	6.8
347.24426	2.6
348.17337	0.9
423.18753	30.8
424.19476	2.2
426.45651	0.9
447.26251	1.9
465.20062	7.6
465.27356	11.7
466.27341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.0
58.00596	1.5
59.01387	100.0
60.01700	1.3
61.98843	22.7
63.81605	1.4
65.00324	2.3
69.06405	4.0
69.06806	9.8
71.01388	22.1
72.99323	2.9
73.02932	2.9
76.66443	1.5
78.36954	1.4
82.37170	1.4
83.01382	5.5
83.05016	5.5
85.02980	6.6
87.00861	2.1
89.02465	13.0
95.01379	1.7
97.02960	1.8
97.06586	2.2
99.04535	23.5
101.02449	8.4
105.07106	1.6
106.02894	1.4
107.01422	2.5
107.05042	3.8
107.50759	1.2
109.02953	2.5
113.02435	5.8
119.03510	5.2
119.05050	2.0
123.04499	2.9
123.08192	7.5
125.02469	46.2
125.06094	11.0
126.02756	2.2
137.02443	2.6
139.03954	2.0
141.09219	1.7
145.05000	3.0
149.02455	7.5
150.03291	1.7
151.00381	13.1
151.04074	1.7
152.01146	1.8
153.01958	11.4
161.04457	1.8
163.11295	2.5
165.01860	2.0
167.03415	2.0
167.07149	10.2
175.00421	2.0
175.03993	4.4
177.01942	9.4
178.99905	7.2
179.05602	3.0
181.01402	6.1
185.08203	15.4
189.05472	1.8
191.03477	1.6
191.05640	1.9
195.03006	1.7
205.12236	1.8
207.10239	3.7
217.04962	1.7
223.13489	7.8
225.11275	4.6
241.05074	4.0
241.14481	17.7
243.12360	5.9
259.06128	2.4
267.12308	2.3
271.09732	2.1
275.05591	9.0
285.04105	21.8
285.13467	63.9
286.04385	2.8
286.13736	4.0
299.05417	2.8
303.05145	26.5
303.08569	2.0
303.14523	20.9
313.05646	1.5
341.05167	3.3
343.06671	2.3
345.15741	2.1
405.17557	6.1
442.91263	1.9
447.09631	1.6
447.18604	2.0
465.19708	46.4
466.19910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.1
59.01387	100.0
61.98843	6.3
69.31696	5.3
71.01391	28.0
71.05005	1.1
72.99311	2.3
73.02942	4.2
75.00880	2.6
83.01406	2.7
83.05036	4.1
85.02959	6.5
87.00876	3.7
89.02452	36.7
90.10723	1.0
95.01421	2.2
95.05011	1.2
96.24457	0.9
97.06628	1.7
98.21809	1.6
99.04537	4.2
101.02457	17.9
101.06103	1.4
108.12650	0.9
110.33998	1.0
113.02473	12.7
115.00417	1.0
119.03517	15.3
123.08179	2.0
125.06091	4.2
131.03496	1.7
134.07397	1.1
137.09747	1.9
143.03513	3.1
149.04559	1.7
149.09740	15.2
150.10040	1.0
154.99902	1.2
156.48039	1.1
159.06636	1.9
161.04604	6.7
163.11316	1.2
165.09166	1.4
167.07208	1.1
167.10788	31.0
168.11266	1.4
179.05632	14.6
185.08189	2.6
223.13512	2.5
225.11249	3.2
225.14973	4.1
238.85699	1.0
241.14417	2.8
243.12463	5.4
243.16115	1.1
257.08145	1.5
267.12289	1.1
277.09604	1.2
285.13528	8.7
303.08789	2.7
303.14529	21.8
303.17911	1.7
304.14935	1.5
345.15515	1.8
375.16595	2.3
405.17114	1.6
405.21506	14.1
465.14209	1.6
465.19669	14.2
466.19641	1.4
473.48456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29928	0.7
53.89196	0.5
59.01387	100.0
60.01716	0.8
66.44838	0.5
67.05120	0.5
69.46891	3.3
71.01392	5.8
85.02977	0.7
89.02460	8.8
90.50528	0.6
101.02464	3.5
113.02469	2.4
119.03530	4.4
143.03516	1.0
161.04608	1.2
168.52783	0.6
179.05638	3.9
192.06743	0.5
220.38307	0.6
375.15216	0.6
405.21704	1.6
406.83237	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38138	0.5
57.03446	0.8
59.01385	100.0
60.01712	0.9
63.89829	0.4
69.58664	2.2
71.01385	6.2
85.02992	0.7
89.02457	10.2
96.35946	0.4
101.02471	3.0
112.59969	0.4
113.02475	2.7
119.03519	4.9
131.03561	0.7
143.03510	1.0
149.04570	0.4
161.04620	1.7
175.24675	0.4
179.05624	3.1
207.58658	0.4
277.55392	0.4
303.14600	1.3
351.54364	0.5
405.21484	1.8
465.23978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27409	1.0
57.03452	2.0
58.00604	1.7
59.01384	100.0
61.98833	13.0
68.43267	0.9
69.38905	7.7
71.01387	21.9
73.02969	2.9
73.26661	1.0
79.44210	1.1
80.25133	1.0
82.35411	1.3
83.01391	2.8
83.05031	1.9
85.02957	4.2
87.00880	2.4
87.34157	1.0
89.02457	21.3
97.06593	2.1
98.21804	1.9
99.04518	13.5
101.02449	11.0
107.05112	1.4
113.02461	7.9
119.03514	8.9
123.08183	5.4
125.02404	1.6
125.06088	7.0
141.09276	2.5
143.03511	1.5
161.04535	3.5
161.13402	1.4
163.11285	3.3
167.07161	5.1
179.05623	4.9
185.08211	13.1
186.08704	1.1
223.13393	6.5
225.11330	3.1
241.14510	12.8
243.12354	2.9
267.12372	3.2
285.13477	54.9
286.13791	4.1
303.14536	18.5
405.21594	12.8
442.50208	1.2
465.19772	32.3
466.20245	3.2
479.69370	1.3
493.07663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14715	0.7
57.03447	1.8
58.22829	0.7
59.01384	100.0
61.98844	2.6
63.06663	0.6
69.18663	4.8
71.01390	18.2
72.99303	1.0
73.02963	1.5
80.03103	0.8
83.05019	0.9
85.02953	4.0
87.00887	0.9
87.04538	1.1
89.02457	23.2
95.01377	1.4
99.04509	1.1
101.02464	10.5
113.02461	8.2
119.03507	12.3
120.03897	0.7
125.02500	1.4
131.03542	1.6
143.03528	2.3
143.10883	0.8
149.04556	1.2
161.04539	4.8
179.05634	8.3
202.44365	0.8
206.88567	0.7
243.12286	0.9
243.16142	1.3
285.04074	1.4
285.07114	0.7
285.13412	2.0
303.05392	1.3
303.14603	1.9
314.08823	0.7
397.51575	0.8
405.21317	13.4
406.21890	1.1
465.19968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
58.00587	1.2
59.01384	100.0
60.01708	1.5
61.98827	2.6
69.18858	8.9
71.01387	28.6
73.02954	2.0
83.01377	3.4
85.02950	8.0
87.00917	1.4
89.02453	46.1
90.02762	1.0
95.01384	1.4
101.02453	21.5
107.01395	1.2
109.02972	1.4
113.02453	13.4
119.03502	21.1
125.02463	26.9
131.03503	1.5
137.02454	1.5
143.03490	3.4
149.02475	3.6
149.04546	1.3
151.00360	7.9
153.01921	5.8
161.04539	5.9
163.11272	2.4
175.00418	1.6
175.03996	2.7
177.01967	4.2
178.99855	4.8
179.05667	11.3
181.01390	2.6
181.12326	3.0
189.05562	1.6
199.03998	1.4
239.52052	1.1
241.05052	1.9
243.15976	5.5
244.73586	1.1
275.05716	5.4
285.04010	12.8
285.13373	2.3
286.04376	1.3
299.05762	2.1
303.05121	16.5
303.14670	2.9
304.05469	1.3
341.05063	2.6
405.21320	62.2
406.21539	5.8
465.19104	1.5
481.35529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
57.40058	0.4
59.01387	100.0
60.01725	1.0
61.98842	1.6
69.50915	2.3
71.01398	5.4
72.99319	0.4
81.57867	0.4
85.02981	0.7
89.02457	11.7
101.02448	3.6
113.02473	3.1
119.03519	5.7
125.02491	0.9
131.03514	0.7
143.03575	0.7
161.04623	1.1
167.10768	0.7
179.05594	2.8
179.60127	0.4
303.05325	0.5
405.21326	1.9
465.23666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03453	1.7
58.00616	1.2
59.01386	74.2
60.01725	1.2
62.21743	0.5
63.75129	0.5
68.99855	0.5
69.07494	0.9
69.07835	5.2
71.01392	17.0
72.99313	0.7
73.02954	7.3
83.01395	3.8
85.02962	10.0
86.00094	0.6
87.00887	1.4
88.98845	0.6
89.02464	2.9
95.01421	1.2
97.03000	0.5
99.00883	2.7
101.02454	15.4
111.00889	1.6
113.02457	6.0
119.03545	1.1
129.09296	0.7
133.88898	0.5
142.35690	0.6
159.03088	1.3
161.04524	2.5
179.77702	0.5
209.75290	0.6
235.96141	0.5
243.19720	1.4
273.53540	0.5
285.20703	1.8
405.25085	4.1
406.25143	0.9
447.26001	5.7
465.27094	100.0
466.27478	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	465.3228
Annotation	Varanic acid
Peak:m/z	Relative Intensity
53.80893	0.7
59.01379	1.4
59.48685	0.8
63.16618	0.7
70.40020	0.9
70.40352	2.0
71.04991	0.7
111.79359	0.7
130.34978	0.7
137.33244	0.7
164.69600	0.7
291.23434	1.5
374.91089	0.7
375.29114	5.1
403.32260	42.3
404.32669	4.5
421.33542	0.9
447.31137	0.9
465.32297	100.0
466.32681	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	466.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21860	14.2
59.01394	76.2
61.98830	35.5
62.77334	15.4
69.37395	100.0
71.01364	35.1
83.16019	14.6
96.96027	47.3
145.28204	15.5
168.70570	14.6
430.17691	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98828	5.6
64.80947	0.8
71.01376	1.3
71.26009	1.5
72.00915	12.9
72.11424	0.8
78.95895	0.8
82.85175	0.7
83.01363	0.7
93.03456	1.1
103.99082	0.8
105.14691	0.9
118.36662	0.7
123.00893	2.5
125.02432	4.9
126.02754	1.8
138.03218	1.4
141.98210	1.4
147.04538	40.0
148.04887	1.0
151.00415	1.1
151.04010	1.0
153.01962	5.5
164.07182	100.0
165.07518	4.7
177.01907	1.3
191.05698	0.8
198.23244	0.8
303.05206	1.6
304.05469	1.9
308.04507	3.3
315.07211	1.3
322.06100	2.6
407.02942	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	15.9
60.83287	2.6
61.98518	4.9
61.98838	100.0
71.01394	2.9
83.01437	2.3
98.21510	2.2
101.02503	2.4
119.14256	2.1
125.71234	2.2
130.67921	2.3
156.13008	2.2
218.44308	2.1
311.79092	2.5
484.13507	2.3
494.08365	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	467.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01102	1.7
59.01387	31.9
61.98821	4.0
68.13081	1.3
71.01392	22.5
72.99313	2.6
73.02936	5.7
73.83835	1.3
75.00865	6.6
77.85901	1.5
83.01382	4.4
85.02958	8.8
87.00890	6.7
87.05456	1.5
89.02457	13.9
93.03475	14.0
99.00888	1.6
101.02462	14.9
102.78954	1.4
107.01380	3.6
109.02940	2.5
111.04534	3.0
113.02451	9.4
115.10164	1.4
117.03500	3.1
119.03484	3.5
129.01991	2.2
134.03766	7.4
135.03027	15.5
135.04555	2.9
137.02419	5.6
149.02429	2.2
151.00395	4.4
161.04558	5.5
173.04604	14.5
191.05655	14.6
215.08769	1.5
240.04224	4.1
263.15005	2.0
267.03067	1.9
268.03799	92.7
269.04562	100.0
270.04944	6.0
284.03223	3.0
285.04022	2.1
311.05655	3.5
335.20871	2.3
425.20370	6.4
431.09860	71.7
432.10001	7.6
449.14172	1.7
466.27783	3.3
467.15561	6.6
467.21503	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	467.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	28.4
61.98838	30.8
69.17322	57.2
71.01381	34.3
73.02959	8.7
75.79639	6.1
83.17593	5.9
85.02950	8.7
89.02450	29.1
98.21817	12.4
101.02462	18.1
113.02397	7.3
119.03504	7.9
125.02375	7.2
128.06705	7.2
134.03722	6.8
151.93709	6.5
161.04543	6.9
207.68095	6.2
217.38736	6.0
268.03784	81.2
269.04532	100.0
270.04764	7.6
431.09909	65.0
431.22882	27.3
432.10544	9.0
432.23273	7.4
451.96286	7.1
467.20645	19.1
467.27539	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	467.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.4
57.03452	6.1
58.00604	1.9
59.01384	100.0
63.86110	1.3
71.01392	92.7
72.99318	4.4
73.02953	26.0
75.00877	11.8
76.69398	1.5
83.01402	16.2
85.02962	40.2
87.00881	4.6
89.02464	17.9
95.01411	4.7
97.02995	3.5
99.00908	11.2
101.02456	72.9
113.02461	37.5
119.03506	4.5
125.02477	4.7
129.01895	2.1
131.03543	4.4
134.03766	1.6
135.03014	31.6
143.03519	4.1
159.03006	7.4
161.04576	30.7
173.04558	2.7
179.05634	2.3
187.09755	1.4
191.05600	2.3
263.14999	22.8
264.15430	1.7
268.03778	7.8
269.04529	3.3
291.26367	1.4
305.16052	3.2
310.27075	1.3
335.20831	5.8
349.18707	5.9
407.19330	2.1
425.20309	56.0
426.20453	6.7
431.10016	6.7
467.20993	19.7
479.55261	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	468.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	55.9
59.03872	5.0
59.62091	5.2
61.82547	5.1
61.98836	100.0
69.02208	37.4
69.02611	11.7
71.01392	51.5
73.02954	11.3
77.38235	4.8
79.56998	4.9
83.01392	9.3
85.02971	19.8
87.00893	7.6
89.02461	29.3
98.21815	10.9
99.00883	7.1
101.02454	23.7
113.02472	24.9
131.03552	9.8
135.04570	6.9
143.03552	6.4
151.42351	5.3
161.04584	24.2
179.03548	7.3
179.05634	20.2
191.05678	9.6
221.06538	6.3
263.11450	8.3
379.06747	7.2
397.08545	5.0
425.16699	39.1
426.16977	6.5
451.06259	5.2
469.15765	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	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17756	0.4
53.97257	0.5
57.03443	0.9
59.01387	9.0
60.01726	0.5
61.01797	0.5
61.98837	100.0
63.99249	0.6
66.44559	0.4
71.01390	5.8
71.26981	0.8
72.01748	0.6
72.99318	0.7
73.02964	1.5
75.00920	0.4
81.49115	0.4
83.01409	1.1
85.02967	2.9
87.00903	0.9
89.02457	4.6
90.02835	0.9
99.00925	0.5
101.02453	3.7
111.00894	0.7
113.02473	2.4
119.03534	1.7
119.05022	0.6
131.03557	0.9
133.02991	0.6
135.03036	0.9
135.04572	2.8
145.05058	0.5
148.05290	2.4
149.04642	0.5
149.06036	0.8
161.02530	0.8
161.04630	1.9
162.04936	0.6
163.04082	0.6
163.07674	3.1
165.01950	2.7
167.18938	0.4
173.00957	0.8
178.38577	0.4
179.03532	3.1
179.05653	0.9
180.04309	1.9
191.05638	1.0
195.06657	3.6
209.77950	0.4
225.07787	1.5
230.05998	0.7
230.14175	0.4
245.08177	2.3
263.09436	1.9
277.13043	0.9
335.70474	0.5
341.08939	0.7
351.16830	0.8
408.22318	1.7
409.16992	3.2
421.15601	0.7
425.14749	1.1
468.26007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61795	0.6
55.01883	0.7
57.03453	1.4
58.00625	0.6
59.01388	35.6
60.01717	5.0
61.01800	5.1
61.98838	100.0
62.02162	0.7
65.36023	0.7
69.53294	3.5
71.01395	9.9
72.01735	1.1
72.99327	1.2
73.02966	2.1
74.99120	1.0
83.01391	1.1
85.02970	2.6
86.03333	1.1
86.99810	0.6
87.00903	1.7
89.02459	9.1
90.02806	1.0
91.02859	1.3
98.21713	0.6
101.02469	5.1
102.02824	0.9
109.02921	0.8
113.02452	3.7
119.03490	3.3
119.05046	0.7
120.03874	0.7
131.03539	0.9
134.03764	1.4
135.04543	0.8
136.53700	0.7
137.02470	3.1
138.05688	1.3
143.03595	1.2
144.04649	0.9
148.05313	3.6
149.06166	1.4
149.74658	0.6
151.04048	0.7
161.02538	0.8
161.04599	1.4
163.07652	5.6
165.01953	19.9
174.03232	0.7
179.03572	5.1
179.05643	1.7
180.04312	14.8
188.04858	1.6
194.05948	0.7
195.06653	29.6
201.05675	0.7
201.21825	0.8
203.07191	1.5
206.05850	0.7
210.05444	2.0
220.66733	0.7
221.08318	1.7
225.07687	8.3
230.05969	1.4
243.08797	1.2
244.07291	0.8
245.08264	2.6
263.09360	2.8
306.19989	1.1
331.08447	0.8
337.19028	0.7
351.16891	1.9
361.13007	1.4
408.22275	0.9
421.15216	3.5
425.14807	1.6
468.25543	2.9
469.19373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.0
60.01729	1.7
61.01818	1.1
61.27916	0.8
61.98838	100.0
64.65610	0.8
69.11515	6.2
71.01401	2.9
85.02961	1.3
89.02444	4.9
91.20534	0.6
101.02475	1.6
102.91209	0.6
109.09779	0.7
119.03544	1.0
119.05003	0.7
128.70128	0.7
135.04567	1.0
137.02425	0.9
143.77167	0.7
149.04616	2.3
165.01930	5.5
173.00891	0.8
179.03568	2.1
179.05725	0.8
180.04381	2.8
195.06665	5.5
225.07814	1.7
421.15189	1.1
469.22845	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94272	0.9
57.03450	1.6
58.99612	1.2
59.01387	15.2
61.98830	4.6
62.77778	1.0
67.01887	1.2
69.30347	4.3
69.30771	2.5
71.01038	1.3
71.01395	16.3
75.00887	1.5
83.01385	6.6
85.02961	4.4
86.03314	1.0
87.00881	2.6
88.00224	1.0
89.02457	7.6
95.01389	1.0
98.22506	1.2
99.00890	2.8
101.02476	6.0
102.98596	5.9
107.05041	2.4
109.02968	1.6
111.00877	2.4
112.98808	1.1
113.02470	4.9
115.00388	1.5
115.03998	1.2
115.07696	1.8
116.71032	0.9
119.03471	1.9
119.05016	1.0
122.03779	1.0
125.02372	1.2
131.03525	1.3
133.02954	1.4
135.03012	2.3
135.03581	1.1
135.04552	14.1
136.01732	1.5
137.02469	16.0
137.03415	1.8
142.99881	2.9
145.01439	5.7
149.04565	2.1
151.04057	3.4
154.99850	1.9
161.02528	1.5
161.04625	2.4
163.04115	1.0
164.01135	1.6
165.01952	83.7
166.02446	3.3
173.00923	10.1
179.03513	33.8
180.04297	53.9
181.04752	3.1
190.69394	0.9
194.05870	3.2
195.06645	100.0
196.07021	6.4
210.05373	7.9
223.44164	1.0
225.07700	33.2
226.08047	1.4
230.51024	0.9
243.08765	1.8
263.05634	1.5
283.04993	5.6
289.16696	1.8
307.05270	1.2
307.08218	6.1
307.17780	1.1
331.08200	1.9
341.08664	2.3
361.13007	6.8
409.17291	4.2
410.17157	1.1
421.15100	13.0
422.15448	1.3
469.08749	4.6
469.17224	1.0
469.23157	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	469.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.98028	1.4
57.03456	2.2
59.01389	15.4
60.03245	1.0
61.98834	17.1
71.01382	11.0
72.99326	1.5
74.99109	4.4
83.01389	1.9
85.02958	5.3
87.00888	3.9
89.02462	6.4
95.01366	1.3
98.21822	2.4
99.00893	1.7
101.02469	7.1
101.81106	1.0
104.81606	1.0
111.00887	1.5
113.02467	5.2
119.03490	2.0
134.03754	2.5
135.03081	1.8
135.04550	2.2
137.02452	13.5
137.03412	1.4
138.05659	1.4
145.01428	2.1
148.05328	13.2
148.19809	1.1
149.06052	1.6
151.04022	1.5
163.04066	2.2
163.07672	17.9
164.01248	1.3
165.01956	86.9
166.02373	4.6
174.03293	1.4
175.04048	1.4
179.03539	16.8
179.05244	1.2
179.05592	0.9
180.04315	52.0
181.04816	3.2
187.04008	1.6
188.04832	2.9
189.11217	1.4
193.05183	1.5
194.05893	4.3
195.02963	3.0
195.06654	100.0
196.07101	5.1
203.07179	1.8
210.05408	7.9
221.08247	3.5
225.07715	31.2
226.08200	1.6
230.05867	3.5
231.06749	1.1
243.08789	2.0
244.07428	1.7
245.08189	8.0
263.09311	8.9
299.04358	1.1
307.08157	1.6
331.08334	1.5
351.16647	3.1
361.12845	6.2
421.15060	14.5
422.15805	2.3
425.14401	5.0
469.17987	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	469.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55098	1.5
57.03438	3.2
58.99611	17.2
59.01386	38.5
61.14320	1.4
61.98827	4.6
71.01389	28.9
71.26618	1.7
72.99303	1.9
73.02950	7.4
75.00881	2.6
81.09582	1.8
83.01393	5.0
85.02961	13.7
87.00888	24.7
89.02456	18.9
93.06358	1.4
95.01429	1.9
99.00880	3.7
101.02455	18.0
102.98613	100.0
107.05063	3.2
111.00932	3.0
113.02468	11.9
119.03539	3.5
125.02481	1.6
127.28198	1.5
129.09239	2.8
131.03494	2.6
133.02930	3.7
135.02983	5.3
135.04544	15.8
141.09201	3.1
143.03488	2.0
145.01474	9.1
149.04582	4.8
151.04012	2.0
161.02477	12.7
161.04539	11.7
163.07690	1.7
164.12550	1.6
165.01918	5.2
173.00920	5.2
175.07649	3.6
179.03555	17.4
179.05626	3.3
180.04277	3.2
191.05644	5.6
195.06604	4.9
225.07689	3.1
249.06198	12.1
263.05536	4.7
277.03391	2.0
283.04971	97.0
284.05283	3.9
307.08304	8.3
307.14023	2.3
341.08832	2.2
407.89151	1.9
409.17072	5.4
427.18408	2.4
469.08722	2.3
469.14001	4.6
469.18967	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	469.193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50628	3.6
55.01874	13.1
56.86513	4.2
57.03452	10.4
58.00591	5.4
59.01385	75.6
61.98836	91.9
71.01031	5.3
71.01386	54.1
71.27062	4.9
73.02957	15.2
83.01404	11.0
85.02954	27.8
87.00880	5.6
89.02454	37.1
99.00900	11.1
101.02464	42.6
102.98634	7.8
104.39610	3.6
111.00896	5.7
113.02460	22.6
118.70071	3.7
119.03539	4.2
119.05026	8.1
126.31911	3.7
131.03534	10.1
134.03775	6.6
135.03020	7.0
135.04530	37.4
137.02446	16.8
138.05643	4.6
145.01434	9.6
148.05313	37.2
149.04636	5.3
149.06137	6.8
161.04579	13.2
163.04001	6.8
163.07637	39.5
165.01950	85.3
173.00987	6.5
173.06039	5.0
174.03279	6.2
179.03494	46.2
180.04314	45.9
187.04044	7.3
188.04723	5.0
195.06642	100.0
203.07135	7.1
210.05463	5.2
221.08237	4.1
225.07703	34.8
230.05898	14.5
245.08252	18.3
263.09344	29.8
277.12909	29.2
283.04950	6.1
307.08197	8.8
351.16693	6.8
361.13025	6.5
409.17191	82.4
410.17532	9.3
421.14957	10.3
425.14441	11.4
469.18634	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	469.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	74.6
61.11618	13.7
61.88531	12.9
69.51289	91.0
71.01388	44.9
72.99312	12.8
75.00842	13.9
80.44538	12.5
80.91679	29.0
89.02455	32.8
98.21870	27.3
101.02464	24.8
113.02481	17.6
229.05023	19.2
359.78482	15.3
433.24496	19.9
467.45526	14.4
469.22232	100.0
470.22607	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13835	9.0
57.03463	8.8
59.01384	89.6
67.91444	7.9
69.10399	8.9
69.29807	48.7
71.01385	43.4
73.02949	9.9
83.01385	11.1
84.37791	7.5
85.02934	13.1
89.02437	13.0
93.03455	8.9
98.40076	9.5
99.92605	14.4
101.02464	23.0
102.02277	8.5
113.02480	13.4
115.92090	14.7
116.92879	100.0
117.75266	7.8
134.11526	8.0
160.07742	8.2
161.04602	11.1
179.03506	10.5
191.05698	21.9
205.12364	33.6
307.17725	12.3
357.19391	9.2
469.22281	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.43298	0.8
57.89476	0.8
60.99306	1.6
62.16976	0.8
70.88902	0.8
70.89220	1.5
75.89996	0.8
84.07072	0.7
99.08149	0.9
121.14390	0.8
135.88858	0.8
136.61061	0.8
148.72810	0.8
191.14423	0.9
205.15862	0.9
255.10715	0.9
375.27066	0.9
391.30051	8.5
392.30560	1.1
407.33267	8.6
408.33743	1.3
445.88397	1.0
451.32324	1.1
469.33307	100.0
470.33691	15.2
488.97031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86875	1.0
57.03448	1.2
62.26525	1.1
64.52617	1.1
69.83176	5.0
72.02487	1.1
78.95914	8.2
80.66074	1.0
117.92274	1.1
142.86993	1.1
152.99615	8.1
209.56683	1.0
405.32196	1.4
409.23599	3.3
469.33304	100.0
470.33658	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3329
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
64.83325	2.0
65.35546	2.2
66.21089	1.9
83.33569	2.0
89.34195	2.3
98.21723	4.6
179.51213	2.1
191.56180	2.6
311.53491	2.3
382.03159	3.0
425.34369	35.5
426.34741	6.0
451.32159	5.7
469.33264	100.0
470.33557	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	469.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14891	1.1
59.01369	1.0
60.99316	1.7
65.45488	0.9
69.02529	9.9
86.83435	0.8
109.20792	0.9
126.75282	0.9
206.08345	0.9
241.67513	0.9
271.15643	0.9
361.25388	1.0
391.30042	12.6
392.30383	2.4
398.05731	1.2
407.33130	6.9
409.31287	1.2
425.34311	2.9
443.68408	1.0
451.32031	1.7
462.14188	1.1
469.33279	100.0
470.33578	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	469.3321
Annotation	Lantanolic acid
Peak:m/z	Relative Intensity
63.33642	7.0
70.15903	11.6
70.16239	12.9
76.50345	8.3
84.89103	6.4
91.37930	6.8
95.38286	7.8
104.65474	6.7
144.93391	8.1
149.84424	7.2
158.67076	6.7
187.05644	7.4
271.94031	7.7
281.57559	7.8
316.37955	9.1
332.89261	7.8
425.34192	46.8
451.32117	14.4
469.33289	100.0
470.33615	13.1
493.99127	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	470.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98837	100.0
70.91979	1.2
89.02457	0.6
115.22653	0.6
123.00918	1.3
128.03618	0.9
133.14832	0.6
205.47540	0.7
251.98315	0.6
254.24063	0.6
255.03152	1.5
256.03915	2.6
283.02484	1.2
284.03314	11.2
285.03876	4.4
306.47882	0.7
392.05670	2.4
407.07733	20.7
408.08359	2.4
471.26114	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	470.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.8
59.01385	51.4
60.39341	2.3
69.37811	7.3
69.38215	9.2
71.01379	9.2
75.02426	2.7
87.00865	3.0
89.02460	4.6
94.80833	2.4
94.88820	2.6
95.05015	3.4
98.21841	3.6
101.02440	6.8
105.81862	2.3
109.06613	3.4
123.04560	6.7
127.83752	2.8
130.08702	2.8
179.10803	100.0
180.11139	3.4
187.11292	4.8
205.12354	45.5
206.12628	3.7
223.13385	3.6
246.36058	2.5
470.22415	3.9
470.32150	8.5
471.22263	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	471.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39530	1.2
55.01870	1.2
57.03444	3.5
59.01396	8.8
59.75464	1.1
67.01891	2.5
69.15369	9.1
69.15765	2.2
71.01392	65.9
72.01743	1.2
72.99319	5.3
73.02971	5.3
77.12720	1.2
83.01389	4.9
85.02960	37.2
87.00883	11.0
89.02451	2.5
92.84177	1.0
95.01392	3.7
97.02960	2.8
99.00878	2.1
101.02456	5.3
108.90816	1.3
111.00903	4.4
113.02461	38.6
131.03561	5.8
139.00345	1.5
140.91566	1.5
155.55077	1.3
157.01390	2.6
173.04576	6.6
178.53563	1.0
189.03981	2.4
191.05646	1.7
201.04037	7.5
203.05659	1.7
215.05739	1.1
233.06528	1.4
245.06754	3.1
249.06161	3.9
251.54800	1.2
289.05640	1.7
289.95294	1.1
305.08566	2.0
317.08853	5.2
321.08334	4.7
339.09308	4.6
361.07706	1.8
379.08643	1.3
393.10587	6.2
411.11487	20.9
471.13617	100.0
472.14020	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	471.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.3
59.01386	18.9
63.05962	0.8
70.39520	2.3
71.01391	6.2
71.93579	0.8
72.99303	0.9
73.02937	1.4
75.00869	0.9
85.02952	2.5
85.06615	1.4
87.00886	6.5
89.02456	5.6
92.60310	0.8
93.03476	1.8
95.05038	1.9
96.54902	0.9
99.00945	0.8
99.20844	0.9
101.02469	2.9
102.05632	1.0
105.03489	2.3
107.53946	0.8
113.02489	2.7
115.04003	1.9
119.03513	2.9
119.05035	3.4
121.02975	1.2
125.06055	1.1
128.03564	2.8
133.03001	1.3
133.05080	5.6
134.03758	36.8
137.02469	6.3
139.04045	2.3
143.07164	4.2
145.06598	3.1
149.06102	15.2
155.65039	0.9
160.01646	1.0
161.04602	2.0
175.04056	2.5
175.07637	4.4
178.02733	29.3
179.05597	1.1
191.05585	1.0
193.05083	100.0
194.05432	5.7
215.20094	0.8
249.11455	0.8
266.06009	1.0
282.49054	1.0
309.09790	4.3
355.10394	9.7
388.71945	0.8
471.14948	5.7
471.28946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66834	0.9
59.01390	25.3
59.77241	1.0
61.98798	0.9
65.25906	1.1
70.79941	2.7
71.01404	8.0
73.02955	3.1
75.00862	1.2
79.78332	0.9
81.47321	0.9
83.01429	1.0
85.02964	2.8
89.02462	5.8
89.03976	2.6
93.03471	5.7
99.00903	1.0
101.02455	6.0
103.04018	1.1
113.02468	3.8
115.07648	1.4
116.91281	0.9
119.03512	2.2
121.02985	6.4
128.02684	1.5
129.10367	0.9
135.04555	4.3
137.02382	1.2
143.07130	3.3
149.02478	26.8
150.02754	1.3
152.01146	7.9
161.04602	1.8
163.04074	7.5
163.05351	1.4
164.04810	20.4
165.01944	2.3
167.03499	1.6
169.05098	3.9
179.07159	7.8
183.08185	4.2
187.07697	6.5
191.05566	2.3
193.01440	19.9
208.03801	40.2
209.04166	1.9
223.06143	100.0
224.06497	4.2
348.28821	1.2
411.20065	2.0
429.20541	1.2
471.15027	1.3
471.29074	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10219	0.8
59.01389	32.9
61.98838	0.7
64.46307	0.8
71.01391	3.8
71.26983	1.3
72.99314	9.7
73.02952	3.5
75.00883	100.0
85.02972	1.0
89.02437	1.9
101.02467	3.3
113.02523	1.7
119.03552	1.3
130.08752	0.8
157.81941	0.8
161.04636	1.2
221.09799	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36673	2.4
58.00560	3.2
59.01385	73.9
61.98832	2.4
63.64653	2.8
71.01385	26.2
73.02953	6.7
73.82807	2.6
83.01346	3.3
84.04566	3.1
85.02959	7.9
85.06604	7.0
87.00878	31.4
89.02446	19.4
91.05577	2.8
95.05061	6.4
101.02425	14.8
102.05620	7.0
104.47881	3.1
105.03477	11.4
107.05027	3.1
113.02485	12.6
115.07610	5.3
119.03529	4.6
119.05042	7.4
121.02937	2.5
125.06165	4.5
128.03548	16.4
129.10350	5.3
130.04269	2.8
133.05096	3.6
134.03780	42.0
137.02448	7.7
143.07140	20.4
145.06616	11.7
146.04654	3.3
149.06110	10.9
161.04567	6.0
175.03909	3.5
175.07675	11.5
178.02760	22.9
179.05652	3.7
191.05663	4.3
193.05081	100.0
194.05518	3.6
246.31993	2.5
309.09885	3.8
331.70285	3.6
342.23941	3.0
355.10315	8.7
471.15131	5.6
471.28314	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	471.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47696	3.4
59.01385	100.0
68.63187	3.8
68.98420	3.7
68.98710	39.8
71.01385	28.9
72.99316	3.6
73.02957	4.4
77.13053	3.4
77.46568	4.0
85.02959	6.6
85.06611	8.4
87.02424	4.8
89.02467	25.7
89.32788	3.7
93.03436	5.6
95.05018	14.3
101.02451	13.0
102.05602	4.1
105.03457	13.1
107.05093	5.2
113.02444	9.7
115.07666	8.6
119.03536	13.1
119.05034	19.1
119.05744	3.7
123.04473	4.0
125.06106	7.5
128.03528	10.6
130.04269	7.5
134.03784	9.0
143.07162	32.5
145.06639	19.8
161.04520	4.8
175.07710	25.0
176.08145	3.7
179.05612	5.3
193.05078	12.5
199.26086	3.4
231.10196	5.8
249.11308	6.2
471.28024	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20266	4.8
55.31216	4.3
59.01389	100.0
61.41473	4.1
65.39108	3.9
68.70953	4.1
69.03480	7.9
70.56483	12.4
71.01392	37.4
81.03489	5.4
84.02534	4.1
85.02956	6.8
85.06618	15.5
89.02454	62.0
93.03458	10.7
95.05051	20.5
101.02471	16.6
105.03442	21.3
107.05054	26.5
108.95750	4.4
113.02458	14.6
115.05539	5.0
115.07685	11.7
119.03523	19.6
119.05051	6.0
125.06103	6.3
133.06598	6.9
143.05032	7.4
143.07155	37.2
145.06609	12.3
157.06566	11.5
161.04546	5.3
172.05347	9.4
175.07649	7.5
179.05658	8.1
183.08177	8.5
201.09254	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89487	1.2
59.01387	100.0
67.66706	1.5
71.01390	10.9
71.27590	2.0
73.02939	1.9
77.03970	2.3
79.82961	1.2
81.08270	1.1
82.95425	1.3
83.01385	1.5
85.02962	5.1
87.00893	1.4
89.02449	5.0
93.03491	1.5
100.43817	1.1
101.02463	5.5
105.03478	42.3
106.03764	1.5
107.05049	12.4
113.02463	5.1
117.03479	3.5
121.03004	1.6
128.61519	1.3
134.03772	3.1
135.04570	8.4
149.02478	3.4
149.06084	1.4
159.04518	4.4
161.04568	5.4
164.04811	3.4
175.78793	1.5
178.02817	2.7
179.07210	2.0
191.05692	2.2
193.05113	7.2
208.03772	3.4
223.06172	8.7
231.10271	5.7
249.11308	2.8
471.15439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04331	3.0
59.01388	72.0
65.03963	12.0
69.58392	17.0
71.01388	28.6
73.02930	6.7
76.60860	3.5
85.02977	15.4
89.02457	17.0
89.03985	70.8
93.03468	67.5
98.21800	3.5
98.22357	8.1
101.02415	15.6
111.04539	8.5
113.02463	7.1
119.03502	7.0
130.08794	3.7
145.06192	3.4
157.06570	8.3
159.03075	3.5
161.04544	16.8
179.05591	3.9
183.06532	5.5
183.08176	100.0
184.08536	6.9
191.05620	4.9
231.10199	3.5
236.02087	3.3
247.08139	4.7
291.12189	4.3
337.69714	3.7
393.19409	8.6
471.18713	4.5
471.28738	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06146	1.5
56.44011	1.3
57.03440	1.8
59.01387	100.0
61.98841	2.1
69.39413	5.2
69.39824	4.3
71.01390	27.7
72.99335	1.7
73.02943	6.6
75.04694	1.5
81.03416	1.7
82.95425	1.7
83.01385	4.1
83.05019	1.4
85.02958	11.5
87.00907	2.3
89.02445	13.0
93.03471	1.7
95.01386	1.6
97.02907	1.4
101.02454	18.3
104.47614	1.5
105.03469	3.8
113.02460	12.0
116.92838	2.0
119.03500	2.3
128.03499	2.1
135.04504	2.9
136.15027	1.6
143.03549	1.5
151.04071	3.7
159.03053	2.0
160.21559	1.5
161.04605	16.5
172.38109	1.4
179.05603	3.9
191.05638	5.2
208.03697	2.5
223.06136	4.8
229.01408	1.5
231.10323	2.3
249.14891	1.7
305.12469	2.4
335.74017	1.9
411.20364	8.0
434.43994	1.8
471.11832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01709	1.0
71.01401	2.0
73.02966	1.9
80.95541	0.5
83.01396	0.6
89.02476	0.9
90.96291	0.5
98.21781	1.0
101.02483	2.2
113.02487	1.5
161.04582	0.6
190.73164	0.5
196.05167	0.7
208.41084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16612	0.4
59.01385	100.0
60.01728	1.0
71.01392	4.5
71.12199	0.6
72.99306	0.5
73.02956	4.8
75.00883	5.1
81.18681	0.5
83.01415	1.4
85.02971	0.9
86.68185	0.4
89.02463	2.0
99.04543	3.8
99.05148	0.6
101.02437	5.3
103.82129	0.5
113.02492	1.9
119.03520	0.6
129.18689	0.5
137.09743	0.7
143.03528	0.8
149.04593	0.7
161.04648	0.9
203.05675	0.5
215.72282	0.4
258.73755	0.5
347.89218	0.5
419.21411	0.5
471.22815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03467	0.9
59.01386	100.0
69.55648	3.6
70.46250	0.9
70.98083	0.9
71.01391	20.6
73.02953	6.3
75.31853	0.8
83.01404	1.6
83.13226	0.8
84.39613	0.7
85.02951	8.6
86.71169	0.7
87.00905	1.1
89.02451	3.8
93.03489	1.2
95.01382	1.2
99.00907	1.6
101.02457	11.1
105.03498	2.0
111.04502	0.7
113.02468	8.0
119.03523	0.9
143.03525	1.0
159.03050	2.3
161.04576	21.5
161.05876	1.3
191.05719	1.4
208.03893	1.0
223.06239	3.1
231.10370	1.3
249.15038	1.3
267.08743	1.1
301.85858	0.8
373.22995	0.8
404.26627	0.8
411.20279	11.9
412.20627	1.0
455.19574	2.2
471.22937	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.03852	2.1
55.12769	2.3
59.46679	2.3
61.98823	2.8
69.53387	2.3
71.26827	2.8
78.95876	2.3
97.42623	2.6
147.32791	2.2
161.64452	2.2
175.06239	2.1
184.63870	2.8
192.94586	2.3
203.80127	3.1
208.93857	2.3
298.74951	2.6
305.39084	2.7
385.42050	2.6
411.32587	7.2
471.34918	100.0
472.35220	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	471.3484
Annotation	Odoratone
Peak:m/z	Relative Intensity
54.09786	3.9
54.19570	3.0
66.16774	3.6
69.79431	21.2
73.22850	3.4
88.87939	3.3
98.21840	6.4
127.56577	3.5
135.39215	3.8
136.12129	4.5
152.99692	5.0
182.72028	3.7
282.20053	4.3
342.64114	4.1
346.88144	4.4
362.50485	4.0
437.70953	4.5
463.47992	5.3
471.34958	100.0
472.35196	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.26098	1.4
69.64133	2.8
69.64536	7.0
98.22504	2.1
127.67786	1.7
134.94420	1.6
204.34097	1.5
376.55865	1.9
393.31625	15.6
408.38126	1.5
409.34763	19.9
410.34811	1.6
427.35916	8.2
441.31158	1.6
453.33688	3.0
471.34824	100.0
472.35086	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84219	3.3
54.72506	3.1
60.22065	3.6
70.61274	5.3
70.61635	7.6
119.10546	3.7
138.56021	4.5
138.94182	3.5
161.41278	3.5
375.26962	3.6
377.28430	5.8
393.31836	22.8
408.57361	4.4
409.34726	39.2
410.35187	6.4
427.35834	14.5
453.33893	6.9
471.34860	100.0
472.35187	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	471.3485
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
60.99295	1.3
61.98837	0.3
68.24458	0.3
71.28485	0.5
77.98991	0.3
92.13857	0.3
120.45262	0.4
164.98766	0.3
196.67516	0.3
196.69498	0.3
292.79639	0.3
314.33063	0.4
334.89871	0.4
377.28506	4.4
378.28873	0.5
391.30203	3.2
392.30643	0.4
393.31598	2.7
394.32086	0.5
407.33176	4.0
408.33746	0.6
409.34930	0.5
413.30774	1.8
453.33838	1.4
471.34836	100.0
472.35181	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.95626	3.0
61.03909	3.2
71.28907	5.4
128.58292	3.0
165.67059	3.3
238.49629	3.2
242.21469	2.8
411.32742	4.3
471.34811	100.0
472.35205	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	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01393	1.0
60.99308	1.5
61.33681	0.5
61.98842	0.5
64.61105	0.5
70.11794	1.3
70.12171	1.1
78.76241	0.5
89.99484	0.5
97.06586	1.1
171.63414	0.5
209.04417	0.6
230.88210	0.5
326.62451	0.5
391.30164	1.1
407.33572	1.3
425.30661	1.6
453.33896	1.8
471.34973	100.0
472.35345	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	471.3486
Annotation	Hispidone
Peak:m/z	Relative Intensity
59.01390	0.7
60.99314	1.8
63.62704	0.5
69.01991	4.5
71.05038	2.6
73.02872	0.4
76.55420	0.4
78.70808	0.4
88.27779	0.4
96.20036	0.4
103.95959	0.4
169.13780	0.5
216.70482	0.5
391.30283	1.0
395.29254	0.6
411.32736	0.9
425.34497	0.7
427.36316	0.7
453.34048	1.6
471.34982	100.0
472.35336	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	471.3485
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.08819	0.9
53.19875	0.8
54.99332	0.9
58.05494	0.9
58.82430	0.8
75.31573	0.8
98.21729	1.7
127.49964	0.9
316.44080	0.9
375.26898	1.0
381.27829	1.3
391.30209	1.3
397.31049	2.3
407.33432	2.9
441.56653	0.9
453.33865	3.5
471.34875	100.0
472.35150	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	1.1
70.60524	1.2
71.78809	0.4
78.95948	0.4
92.58466	0.4
285.39468	0.4
425.34732	0.7
453.33881	1.6
453.72357	0.4
471.34857	100.0
472.35168	14.1
484.95963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Hispidone
Peak:m/z	Relative Intensity
60.99304	1.5
64.71851	0.6
69.72531	1.5
69.72934	2.3
78.51636	0.6
78.95915	0.9
84.23693	0.6
98.22518	0.9
103.59054	0.6
164.60593	0.6
273.26260	0.8
317.89206	0.7
395.29944	0.6
409.34967	1.2
425.34393	1.0
453.33801	3.1
471.34839	100.0
472.35193	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	471.3486
Annotation	Hispidone
Peak:m/z	Relative Intensity
51.62005	1.2
52.43822	1.3
59.01388	2.8
69.02409	11.2
78.52290	1.2
83.05069	2.3
95.64621	1.3
96.62679	1.2
98.21772	1.8
131.29445	1.1
137.09784	2.0
196.97565	1.3
267.53415	1.3
280.30237	1.4
395.93353	1.3
411.33038	3.3
427.36374	3.1
453.34262	2.5
471.35059	100.0
472.35229	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99308	1.2
70.15482	2.2
73.02624	0.6
78.95931	0.8
83.39138	0.6
96.26289	0.6
98.21715	0.5
99.87024	0.7
152.99597	1.0
161.76289	0.6
202.52461	0.5
202.54637	0.6
425.34314	1.0
453.33862	2.0
471.34851	100.0
472.35257	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68272	0.9
56.82961	0.9
69.26073	3.0
69.26491	3.9
69.29314	0.9
71.05014	0.9
97.06600	1.5
115.86932	0.8
191.14450	1.0
205.16049	1.7
207.17618	3.3
263.16541	2.7
314.61273	0.9
377.28745	2.4
393.31808	2.9
407.33243	1.3
411.32645	2.0
427.35916	8.4
441.33783	2.4
453.33823	2.8
461.99347	1.0
471.34891	100.0
472.35208	15.2
478.93185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09095	1.3
67.90662	1.4
69.30821	4.9
69.31243	5.3
69.75760	1.3
75.31257	1.2
92.77596	1.4
98.98598	1.4
102.73037	1.3
103.25869	1.2
120.10780	1.6
132.63855	1.2
142.93835	1.4
152.11998	1.5
170.84377	1.3
292.09601	1.6
351.15155	1.7
393.31790	6.8
394.37048	1.5
409.34836	8.8
411.32657	1.8
453.33917	3.8
471.34872	100.0
472.35205	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3486
Annotation	Odoratone
Peak:m/z	Relative Intensity
58.59826	0.7
61.98821	0.8
70.01971	2.8
71.05023	2.4
117.49240	0.6
160.84241	0.9
191.66943	0.6
202.73036	0.7
213.54813	0.7
391.30200	1.3
404.43484	0.7
453.33566	1.2
471.34885	100.0
472.35251	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	472.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41040	4.5
59.01380	16.8
69.52689	29.5
71.01394	6.1
89.02399	4.4
92.05077	20.0
96.96030	5.2
98.64024	4.9
106.04102	8.8
106.85243	5.1
109.02972	7.1
109.04108	5.9
111.03156	5.6
111.88161	4.8
119.05022	8.1
120.04575	6.2
123.54986	5.3
124.26531	4.6
126.06724	12.7
128.03569	66.8
134.03775	15.6
135.04536	29.9
135.05589	9.8
136.04047	13.3
137.93314	5.2
139.04045	7.7
145.09831	4.9
146.04619	9.0
147.05667	11.7
148.04060	26.7
149.04929	6.8
149.06015	23.4
161.02441	14.2
163.04060	10.7
163.06281	14.7
177.05568	17.1
177.10359	10.0
178.02763	7.6
189.10381	7.5
193.05057	39.5
194.49049	5.2
221.04546	22.2
221.09317	17.3
231.06631	12.6
233.09300	31.2
261.41071	5.9
275.11542	6.5
300.11060	74.3
311.07700	21.3
343.11581	17.2
385.16327	30.0
404.15811	78.3
405.16071	11.3
411.14035	6.7
429.15509	22.5
437.24344	11.8
454.14502	6.6
472.15887	100.0
473.16714	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	472.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	1.7
58.00578	2.0
59.01098	3.4
59.01388	67.2
71.01390	40.9
71.05225	1.5
71.24876	2.7
72.99301	3.3
75.74406	1.6
77.30471	1.5
85.02946	9.3
87.00897	3.8
89.02458	68.5
95.01414	1.9
99.00919	2.7
101.02462	22.8
113.02454	23.4
117.00415	2.0
119.03519	24.9
130.08757	63.3
131.03496	3.7
133.03180	1.8
134.03758	5.9
135.04582	2.1
136.76854	1.4
143.03526	4.0
149.04579	3.2
149.06056	2.5
161.04639	8.2
161.05774	1.5
162.93208	1.6
177.05623	3.4
179.05638	33.3
183.01312	1.5
189.05562	7.7
191.05734	2.0
193.05083	8.2
201.05533	1.9
206.13054	1.8
207.99382	2.0
217.00432	5.1
221.04597	2.7
248.96077	6.3
262.97739	4.0
276.95544	6.3
292.70612	1.6
341.10925	100.0
342.11163	6.4
353.01633	2.3
362.04446	5.6
374.22235	2.0
444.05072	2.1
472.04868	2.5
472.15454	1.9
473.13812	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	472.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30141	5.2
53.96548	6.1
56.84392	4.9
59.01383	100.0
60.04867	4.9
61.04804	5.0
65.68941	5.4
69.08270	19.9
69.08688	27.5
71.01380	27.6
73.02978	7.7
83.12488	5.8
85.02950	9.3
86.15631	5.6
89.02456	20.6
98.22526	11.6
101.02457	17.4
113.02464	9.8
116.37436	6.1
143.95985	4.8
149.02501	7.1
161.04617	8.4
162.33319	5.7
177.42278	5.9
191.05666	6.9
208.03851	9.4
209.04094	10.9
215.75211	5.9
223.06241	28.1
224.06525	21.0
413.21951	18.9
472.17410	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	472.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58441	2.3
59.01385	100.0
61.66369	2.6
61.98807	2.6
65.50045	2.5
69.33441	7.9
69.33849	7.7
71.01391	25.6
73.02959	8.0
75.00910	2.0
82.77613	2.4
83.01404	5.0
84.95140	3.5
85.02962	8.3
87.00880	16.8
89.02466	21.1
95.01408	2.6
96.00925	2.9
96.45435	2.5
99.00900	3.6
101.02451	19.1
113.02473	15.5
115.52687	2.3
119.03545	7.7
130.08749	2.9
134.03772	2.5
137.83675	2.1
149.02475	3.5
149.06053	3.3
157.29100	2.2
158.00027	2.3
161.04594	8.5
179.05652	4.0
202.98222	2.3
224.68762	2.9
251.12854	2.3
268.03790	52.9
269.04514	9.3
269.10297	4.9
323.16315	3.9
413.21698	6.4
431.15527	12.2
454.22363	2.6
473.10889	37.7
473.16995	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	472.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.01389	22.8
73.02945	11.8
78.78545	2.4
83.01394	4.4
85.02953	5.9
89.02448	12.7
95.01389	2.5
98.21783	4.5
101.02460	16.0
112.64424	2.4
113.02453	10.1
131.03577	3.6
131.21048	2.3
137.07262	3.0
150.63347	2.5
157.01439	5.7
161.04585	5.8
182.57185	2.8
185.01065	3.0
209.11845	2.5
223.87325	2.2
227.13002	3.3
229.18370	2.5
242.79012	2.5
287.15082	11.5
291.19412	3.0
431.22803	3.4
463.41132	2.7
473.90329	2.6
474.41586	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	472.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53924	3.3
59.01388	100.0
60.01730	3.4
61.96041	3.6
69.04897	33.9
70.79694	3.2
71.01376	11.8
73.02940	10.3
85.02962	4.4
89.02428	6.3
92.62611	3.3
101.02467	7.5
113.02476	9.8
151.21495	3.9
157.01445	6.7
183.47858	4.1
254.69295	4.5
267.35538	3.7
287.15036	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	472.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41482	10.9
69.09065	100.0
71.01280	16.2
79.05303	10.9
115.28873	11.9
133.91971	12.6
205.47508	12.8
475.28757	11.7
487.72861	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	473.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12024	3.6
59.01382	22.8
71.01376	11.6
71.25635	6.4
76.83122	3.8
78.95924	6.1
89.02511	4.9
96.96963	11.8
99.00933	4.8
108.02178	25.0
109.02970	11.8
112.30694	3.6
118.96649	4.8
119.03552	4.3
122.89655	3.5
131.43721	3.4
134.03725	23.8
135.04546	4.6
149.06168	4.6
150.03162	3.9
152.01198	4.6
153.02026	22.3
163.04170	3.8
168.04350	7.8
177.05634	19.0
182.99872	8.6
193.05090	26.1
196.97751	8.3
203.05641	4.0
208.97690	39.3
209.01074	3.7
217.00294	11.4
221.04536	11.6
224.00107	27.5
224.97160	8.1
225.00829	6.7
225.26680	3.5
226.23006	3.7
234.99231	11.3
236.97360	5.6
238.69971	3.7
249.97926	24.4
250.98799	57.4
252.96539	3.8
311.07797	12.8
315.07162	6.4
353.01947	100.0
354.02145	7.7
354.34622	3.9
374.99289	6.8
413.04175	76.6
413.09320	4.4
414.04330	6.9
449.60388	4.1
473.12753	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	473.1092
Annotation	Apigenin 7-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
59.01385	24.0
63.02393	0.9
65.00330	0.9
68.87186	0.4
69.04405	3.8
71.01396	0.8
71.90232	0.4
83.01399	0.7
83.09100	0.4
87.25616	0.6
98.22539	0.9
101.02461	0.5
102.70119	0.4
107.01407	2.4
117.03468	2.0
148.01671	0.6
149.02484	1.0
149.99606	0.6
151.00383	3.1
169.01424	0.5
171.04552	0.9
172.05319	0.9
184.05356	0.5
187.51524	0.4
195.04553	0.6
196.05312	0.8
199.04109	0.5
200.04747	0.6
211.04025	2.4
212.04732	0.4
225.05574	0.8
239.03491	3.5
240.04283	5.4
246.98944	0.5
267.03030	2.0
268.03790	100.0
269.04471	21.8
270.04916	1.4
300.76331	0.5
311.05624	0.5
473.10919	71.0
474.11270	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	473.1094
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.53386	0.3
59.01385	3.0
62.24807	0.3
63.02408	1.6
65.00341	0.9
68.40521	0.3
68.97472	2.7
71.01378	1.0
73.02950	0.4
75.00842	0.4
78.86976	0.3
83.01388	1.1
84.62901	0.2
87.25616	0.5
89.02429	0.4
91.13446	0.2
101.02460	0.6
107.01400	2.5
113.02499	0.3
117.03486	2.2
148.01743	0.6
149.02435	1.0
149.99632	0.7
151.00406	3.3
158.03708	0.4
159.04498	0.3
165.92146	0.2
171.04503	0.9
172.05313	0.7
183.04471	0.5
184.05305	0.3
195.04521	0.5
196.05286	0.8
199.04008	0.3
200.04761	0.7
211.04002	2.5
212.04793	0.9
224.04779	0.4
225.05743	0.6
239.03540	3.8
240.04285	4.1
267.03064	1.9
268.03796	100.0
269.04471	25.1
270.04993	1.2
270.07681	0.3
283.06116	0.5
311.05719	0.9
311.09247	0.3
399.74570	0.3
473.10916	80.5
474.11273	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	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18018	0.7
57.52415	1.1
59.01379	3.0
69.65865	3.1
71.01395	1.0
78.66567	0.6
83.01373	1.1
85.02932	0.9
89.02440	0.9
98.21907	0.9
99.00896	1.0
108.02174	1.3
109.02969	16.3
111.00900	6.7
114.71647	0.7
117.01959	0.9
119.05045	1.2
121.02979	1.4
121.90164	0.7
123.04507	1.2
125.79140	0.7
131.05055	1.2
134.03761	1.9
135.04546	16.1
136.04860	1.0
137.06071	2.3
139.04034	0.9
143.05060	1.3
147.04550	4.3
148.05287	2.1
149.02435	2.0
149.06107	19.8
150.03348	0.8
153.01987	0.7
159.04543	3.9
161.02478	1.7
161.06065	3.7
162.03252	4.5
163.04048	5.5
164.04773	3.0
165.05611	6.2
171.04460	1.1
173.06212	0.9
174.03204	1.1
175.03976	2.7
176.04855	0.9
177.05589	93.2
178.05919	3.4
179.03505	1.3
181.05051	1.9
188.04852	1.0
189.05597	23.1
190.02731	1.5
190.05876	1.4
193.05037	3.4
195.06709	0.9
201.05576	2.3
203.03638	1.5
207.06679	5.7
219.06708	1.7
221.04570	33.9
222.04910	2.4
224.57719	0.8
231.06651	2.6
239.05707	1.8
249.07684	2.7
262.27295	0.7
267.08771	9.2
293.06915	0.8
311.07758	100.0
312.08093	7.8
312.23987	0.8
351.10907	1.6
383.09869	2.5
473.13162	7.6
474.13428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08618	0.8
59.01380	8.2
60.27709	0.8
60.92624	0.8
61.98821	1.0
63.16316	0.7
69.27693	6.0
71.01378	3.2
73.02972	0.8
73.55474	0.7
75.00867	1.9
76.71684	0.7
85.02937	0.8
89.02448	2.1
99.00897	4.0
101.02470	1.6
109.02979	7.6
111.00907	4.9
117.03467	2.0
119.05040	1.4
121.02945	1.1
134.03760	64.6
135.04622	5.5
137.02443	3.4
139.03979	1.5
149.06084	19.6
151.74933	0.8
159.04495	0.9
161.02379	1.1
162.03227	1.3
163.04033	2.2
175.04037	1.4
177.05577	8.8
178.02734	15.6
179.03494	1.3
193.05078	100.0
194.05493	4.6
203.03528	1.1
219.03084	1.3
219.06630	1.7
221.04581	21.6
221.39667	0.9
222.04907	1.5
223.05992	0.8
272.84976	0.8
281.06824	1.0
293.06540	1.4
297.08295	5.2
306.07819	1.0
311.07739	20.4
312.08112	1.3
327.09320	1.0
355.10461	3.8
383.10120	1.0
459.54523	0.8
473.12933	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	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
59.01090	1.1
59.01385	19.3
71.01392	6.7
73.02946	1.9
74.73929	0.6
75.00876	4.2
82.03749	0.5
82.21455	0.6
85.02959	1.6
87.00877	1.0
89.02439	4.9
89.03989	1.9
93.03432	0.9
98.21817	1.6
99.00896	22.4
101.02469	2.9
106.04198	0.7
113.02489	2.0
114.78131	0.6
116.92831	0.9
117.01952	1.5
117.03482	3.9
118.92718	1.0
119.03524	1.1
119.05043	1.3
134.03761	100.0
135.04102	3.5
137.02438	0.9
149.06100	4.5
149.09698	0.8
161.04581	2.2
178.02713	5.7
182.96872	0.5
193.05081	72.9
193.08788	2.0
194.05360	3.9
202.82657	0.6
225.65613	0.6
233.11928	0.9
237.06172	2.4
242.19312	0.7
247.73782	0.6
261.06009	3.0
297.08295	11.6
413.21619	0.7
416.33682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30397	0.4
54.47453	0.4
59.01386	6.9
61.98844	2.2
66.49339	0.4
69.47971	2.4
71.01398	2.0
75.00875	0.7
79.80005	0.4
87.00893	0.6
89.02460	1.6
93.03458	0.8
98.02077	0.4
98.95915	0.4
99.00868	0.4
101.02422	0.4
105.03471	0.7
107.05008	0.7
117.01967	0.7
119.03482	0.6
119.05036	1.1
121.02979	1.5
133.02980	1.2
134.03755	46.1
135.03020	2.6
135.04100	1.4
137.02463	6.7
139.04036	1.9
149.02512	0.4
149.06100	16.7
150.03192	1.0
150.06421	0.6
178.02724	31.9
179.03087	1.4
193.05074	100.0
194.05405	4.6
223.06264	0.7
257.57953	0.4
297.08392	0.5
311.07684	1.0
355.10410	9.4
356.10687	0.5
473.13071	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	473.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38560	0.9
59.01094	1.8
59.01384	36.1
61.74001	0.9
65.95789	0.8
68.44926	0.9
69.04301	4.9
69.04729	3.3
71.01395	8.6
73.02940	2.1
75.00876	2.7
77.03967	1.0
85.02961	3.3
87.00892	1.3
89.02437	4.6
89.03976	3.5
98.21784	1.5
99.00893	69.2
101.02456	4.0
105.03484	8.9
107.05043	2.2
113.02470	3.9
117.03484	9.9
119.03496	1.3
128.03543	1.1
129.28868	0.9
134.03760	94.3
135.03032	1.5
135.04489	1.6
137.02432	2.3
139.04132	1.4
144.58917	1.0
149.06123	8.9
161.04565	3.6
162.03217	5.2
177.05637	5.7
177.09267	1.4
178.02745	8.7
179.05678	1.0
193.05078	100.0
194.05382	4.3
233.11806	1.5
237.06284	1.2
261.06152	6.4
297.08163	4.0
431.15756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50067	0.4
58.89740	0.5
59.01386	10.9
71.01392	4.8
73.02951	1.8
75.00877	5.1
79.36318	0.5
81.03492	0.4
83.01393	0.6
85.02963	1.3
87.00883	1.0
89.02461	1.9
89.03979	2.3
99.00893	23.9
101.02442	2.3
106.04273	0.6
113.02446	1.0
117.01944	1.1
117.03469	4.5
119.03536	0.7
119.05093	0.5
134.03760	100.0
135.03096	0.9
135.04060	4.3
137.02481	1.3
149.06078	5.3
157.05003	0.5
161.04565	1.5
162.43686	0.5
178.02733	4.2
193.05078	80.9
193.59348	0.5
194.05405	4.1
237.06142	2.3
261.06183	2.4
297.04907	0.6
297.08313	11.8
298.08539	1.1
465.82214	0.5
473.13089	0.5
482.77261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03433	2.9
58.00594	1.6
59.01385	100.0
61.98816	2.0
65.48253	0.8
71.01388	53.1
71.27148	1.9
72.99316	3.2
73.02951	17.0
75.00864	5.1
83.01395	10.3
85.02963	22.8
87.00883	21.6
88.00404	1.1
89.02453	15.8
89.02979	1.7
95.01397	4.5
97.02962	1.6
97.19242	0.9
99.00911	6.5
101.02457	37.9
106.85165	1.0
113.02461	21.2
119.03530	2.3
125.02483	3.5
128.03587	1.2
129.01889	1.2
134.03775	3.3
135.03014	19.3
143.03511	4.5
159.03009	4.8
161.04582	18.2
179.05640	1.5
191.05612	2.0
193.05049	4.2
203.07216	1.1
214.26979	1.1
221.06706	1.4
251.09294	1.3
257.08951	1.1
269.10352	11.2
311.11386	2.0
413.22064	4.9
414.22116	1.1
431.15610	32.2
432.15970	3.5
473.16223	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	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.0
57.03456	4.4
58.00587	2.0
59.01384	100.0
60.01730	1.2
67.34059	0.9
69.05886	8.7
71.01391	54.9
72.99321	2.6
73.02955	15.5
73.15739	0.9
74.07141	0.9
75.00880	2.6
83.01399	14.4
85.02962	26.3
87.00887	11.3
89.02454	17.2
94.97578	1.0
95.01410	4.6
97.02959	2.7
98.59521	1.0
99.00901	5.8
101.02455	58.1
102.02811	1.1
107.01437	1.0
113.02468	24.6
119.03519	6.0
125.02496	3.2
135.03055	1.7
143.03499	4.0
151.00342	1.5
159.03014	4.1
161.04584	19.2
175.71904	1.0
179.05630	2.4
240.04216	0.9
268.03775	24.5
269.04456	6.7
269.10300	18.0
269.13007	1.4
309.39163	0.9
311.11588	4.3
324.78500	0.9
337.70364	1.0
425.60117	1.0
431.15631	52.6
432.15952	4.5
433.48923	1.0
473.10959	17.1
473.16852	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	473.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.0
57.03456	4.4
58.00587	2.0
59.01384	100.0
60.01730	1.2
67.34059	0.9
69.05886	8.7
71.01391	54.9
72.99321	2.6
73.02955	15.5
73.15739	0.9
74.07141	0.9
75.00880	2.6
83.01399	14.4
85.02962	26.3
87.00887	11.3
89.02454	17.2
94.97578	1.0
95.01410	4.6
97.02959	2.7
98.59521	1.0
99.00901	5.8
101.02455	58.1
102.02811	1.1
107.01437	1.0
113.02468	24.6
119.03519	6.0
125.02496	3.2
135.03055	1.7
143.03499	4.0
151.00342	1.5
159.03014	4.1
161.04584	19.2
175.71904	1.0
179.05630	2.4
240.04216	0.9
268.03775	24.5
269.04456	6.7
269.10300	18.0
269.13007	1.4
309.39163	0.9
311.11588	4.3
324.78500	0.9
337.70364	1.0
425.60117	1.0
431.15631	52.6
432.15952	4.5
433.48923	1.0
473.10959	17.1
473.16852	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	473.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
59.01093	2.5
59.01387	50.6
60.92933	1.0
61.88945	1.0
61.98837	3.4
63.94178	1.1
65.86360	1.0
70.38638	3.7
70.42385	1.0
71.01387	21.8
72.99322	1.5
75.00876	1.9
79.55927	1.1
83.01360	1.1
85.02963	4.5
85.69956	1.3
87.00887	9.2
89.02460	27.6
89.03978	2.3
93.03490	1.5
95.05033	1.3
99.00895	66.7
101.02443	10.3
105.03450	1.1
107.05040	2.9
108.02190	1.4
113.02448	7.2
117.03491	9.8
118.96638	1.0
119.03516	12.3
119.05009	2.3
128.03580	2.5
130.08778	2.1
131.45421	1.1
134.03760	96.6
135.04121	3.5
137.02487	1.2
143.03525	1.2
147.08192	2.3
149.04671	1.2
149.06079	7.5
161.04575	6.0
177.09267	2.0
178.02728	8.5
179.05679	6.1
193.05074	100.0
194.05438	6.3
216.08066	1.0
233.11812	3.2
261.06140	7.7
297.08316	5.1
327.09454	1.2
340.18863	1.8
382.51453	1.1
435.42435	1.3
476.28830	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24500	0.9
59.01386	47.1
61.98825	3.2
63.67189	0.7
65.03949	0.9
69.06513	3.4
69.06944	4.4
71.01389	5.9
82.71458	0.7
83.01437	0.8
85.02954	1.9
87.00864	1.1
89.02449	7.9
91.05533	1.4
93.03473	4.2
95.01328	0.9
99.00874	1.4
101.02433	2.7
107.05046	1.2
113.02452	2.6
119.03530	2.8
119.05035	12.9
121.02974	1.3
134.03755	44.3
135.03014	2.7
135.04030	1.6
137.02434	7.1
137.06110	2.0
139.04007	2.1
143.07085	0.9
149.06081	14.1
161.04570	2.1
178.01227	1.7
178.02730	26.3
178.80910	0.8
179.03134	1.1
193.05075	100.0
194.05437	5.0
233.11882	1.4
251.12920	2.1
311.07785	2.0
355.10382	8.2
473.12918	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	473.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65864	0.5
59.01386	28.4
60.01698	0.7
61.98844	2.7
65.03943	0.8
69.17267	4.8
71.01385	4.5
74.59196	0.6
75.00919	0.6
82.13618	0.6
85.02936	1.2
89.02454	5.8
91.05551	0.8
93.03455	2.8
93.86508	0.6
101.02449	1.6
105.03469	0.8
109.02900	0.6
113.02464	1.4
117.01954	0.9
119.03504	1.8
119.05053	7.6
121.02957	1.2
121.12290	0.6
130.81448	0.7
133.02951	1.1
134.03760	46.7
135.03011	2.6
135.03995	1.0
137.02460	7.3
137.06107	1.1
139.04028	2.1
145.83499	0.6
149.06097	16.4
150.06360	1.4
161.04597	0.6
178.02733	29.2
179.03024	1.4
179.05621	1.6
188.78937	0.6
193.05078	100.0
194.05431	5.0
200.76239	0.6
223.06065	0.9
233.11720	0.7
239.05679	0.6
243.21112	0.5
251.12862	1.5
261.27713	0.6
311.07739	1.9
355.10431	7.7
356.10843	0.7
473.12808	4.6
474.13980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
58.14478	0.3
59.01386	100.0
60.01721	1.0
61.98849	0.8
64.66898	0.3
69.03487	0.4
69.09274	2.5
69.09679	0.7
71.01393	6.1
73.02962	2.7
75.00862	2.2
83.01418	1.2
85.02967	1.7
87.00935	0.5
89.02451	1.9
98.22569	0.8
101.02447	3.9
101.43956	0.4
113.02486	2.8
119.03548	0.9
125.02557	0.3
129.01945	0.5
130.55862	0.4
133.98894	0.3
134.03783	0.4
159.03067	0.5
160.01718	0.7
161.04576	2.7
175.04044	0.7
179.05649	0.5
196.59042	0.4
251.16524	0.5
285.04144	1.1
286.04495	0.4
392.09644	0.5
392.59662	0.5
413.21890	3.8
431.23178	0.6
443.14413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98350	0.5
52.62061	0.4
59.01386	100.0
60.01714	0.7
61.98845	0.9
71.01385	6.6
72.99317	0.7
73.02946	2.3
75.00874	2.6
80.99964	0.6
83.01385	0.8
85.02940	3.2
89.02451	2.3
98.21750	1.3
99.00914	0.7
101.02469	5.2
113.02468	3.4
119.03548	1.4
120.64147	0.5
124.25959	0.5
137.00246	0.5
161.04553	4.3
170.74194	0.6
179.05641	0.5
251.16722	1.2
413.21841	8.8
413.26840	0.8
414.22287	1.3
457.21179	1.1
473.24399	0.9
497.02197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15247	0.5
57.03446	1.1
59.01384	100.0
60.01717	0.9
69.04981	4.3
71.01402	0.8
72.87261	0.5
73.02952	0.6
73.60556	0.4
85.50099	0.6
98.22550	1.2
123.47855	0.5
151.00488	0.7
161.73833	0.5
211.17105	1.4
239.03391	0.7
242.05473	0.5
268.03796	14.8
268.06516	0.9
269.04520	9.4
355.25116	1.7
473.10910	7.9
473.28162	1.2
474.11926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45232	1.0
57.03445	1.6
59.01387	100.0
61.98837	18.8
71.01393	20.5
73.02950	10.7
75.00887	3.4
83.01399	4.9
85.02960	11.2
85.52728	0.9
87.00870	1.4
88.20676	1.1
89.02449	5.3
91.38965	1.2
92.99380	1.1
95.01403	1.2
98.22646	2.5
99.00887	3.9
101.02450	22.4
113.02450	9.4
119.03471	1.8
129.01909	1.3
130.22618	1.2
143.03470	1.8
157.01411	1.1
158.76567	1.1
159.03012	3.3
161.04567	11.5
177.30254	1.3
188.24872	1.2
227.12856	1.1
242.52533	1.2
251.16545	4.5
287.15164	1.8
413.21851	84.7
414.22122	7.6
457.20575	2.1
473.22766	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	473.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.9
61.98846	1.1
69.04074	4.1
71.01395	1.8
73.02955	0.6
83.01360	0.4
85.02964	0.8
88.69992	0.4
89.02464	0.9
96.95391	0.3
101.02471	1.3
110.11767	0.3
113.02491	0.9
130.47078	0.4
161.04634	0.7
165.49625	0.4
209.15588	0.6
268.03973	1.5
269.04504	0.5
280.64935	0.4
305.82513	0.4
353.19742	0.8
371.20764	3.1
413.22134	1.1
473.11166	0.5
473.24051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3277
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.87165	0.6
57.03451	0.9
59.01385	12.4
70.03812	2.8
71.01385	14.6
71.05006	1.5
78.05788	0.6
80.02663	1.0
83.05018	1.7
123.08167	2.6
194.53375	0.6
207.17529	1.2
341.28394	2.4
359.29526	2.3
373.27518	1.5
389.19839	0.7
395.29599	1.6
399.29056	4.7
400.29306	0.9
401.30621	34.7
402.30945	5.0
411.32700	2.2
415.27933	1.5
415.32584	1.7
429.33856	1.7
433.29626	18.7
434.29877	1.8
445.29483	0.9
455.31284	1.4
473.32040	100.0
474.32443	12.9
490.90259	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3278
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
59.01389	2.3
69.26744	1.4
69.27158	1.7
69.49403	0.4
79.46368	0.3
98.22585	0.8
131.23534	0.4
162.29703	0.4
369.31415	0.9
413.30472	1.2
427.32318	0.7
429.33893	8.9
430.33914	1.7
431.89731	0.5
443.35434	0.5
455.31412	2.2
473.32495	100.0
474.32803	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	473.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34534	1.9
53.61856	1.9
54.10908	1.8
59.01139	1.7
59.01390	19.4
65.27491	1.6
69.11298	6.2
69.11725	9.6
71.05030	3.0
77.34991	1.9
121.28558	2.2
139.88989	2.1
152.26637	2.8
153.46030	1.8
161.45401	2.0
221.19144	2.0
222.77440	2.2
245.11450	1.7
401.30682	2.1
413.30746	8.0
429.33786	33.1
430.34119	3.5
473.32117	100.0
474.32693	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	473.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80079	0.7
57.03456	5.2
67.81525	0.6
70.77973	0.7
70.89288	0.7
71.01378	1.2
71.08372	1.3
120.96700	0.7
138.53894	0.8
367.26559	0.8
372.80737	0.7
383.29626	3.4
388.21265	0.7
395.33411	2.1
399.32681	2.8
455.35437	4.7
473.36499	100.0
474.36887	12.9
499.61896	0.7
499.70142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07931	1.0
59.01374	2.5
70.62651	1.5
70.62965	1.9
95.04948	1.3
97.06597	1.6
121.42382	1.3
134.81795	1.1
136.84303	1.4
169.43954	1.1
188.39482	1.4
205.16011	6.5
240.76329	1.2
272.23450	1.2
319.22641	1.7
349.98676	1.3
409.35074	2.6
429.34033	3.8
451.35983	1.2
455.35712	2.6
473.31998	43.8
473.36438	100.0
474.31635	3.1
474.36581	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	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.3
60.99304	1.6
66.77762	0.5
69.18523	1.2
69.18935	2.6
75.18208	0.4
78.95908	0.7
82.43941	0.5
90.84061	0.5
98.21761	0.7
110.51637	0.4
162.29851	0.5
223.05385	0.6
395.33353	3.7
427.35852	0.8
455.35391	1.3
473.36411	100.0
474.36780	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34098	0.4
54.53239	0.3
59.98555	1.6
63.62795	0.3
69.07014	2.5
69.07431	0.6
75.08266	0.3
78.42863	0.3
118.46837	0.3
128.97606	0.3
183.13943	1.2
193.14323	0.3
193.15927	1.7
287.20221	0.8
289.21796	1.6
291.23273	0.9
357.28091	0.5
409.34875	0.9
411.32675	0.9
413.34317	8.8
414.34656	1.2
429.37555	4.3
473.36453	100.0
474.36829	14.0
488.24466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35383	0.4
57.03455	0.7
59.01373	1.0
69.04443	3.2
71.05022	0.4
73.02952	0.6
94.44515	0.4
111.00901	0.5
121.06616	0.4
166.70529	0.4
175.11356	0.7
189.12831	0.4
191.14442	2.1
194.44771	0.4
205.16055	0.7
217.12347	0.9
218.13373	0.4
219.17558	8.1
220.17897	0.4
221.19189	1.2
223.16997	2.0
232.40436	0.4
233.15491	6.7
261.18646	2.0
277.21860	0.5
288.17441	1.2
367.30298	0.7
393.31757	0.9
395.33600	0.9
399.32999	0.4
401.74347	0.4
411.32947	1.0
421.31207	4.4
422.31461	0.7
427.35956	0.6
429.30099	0.4
429.37549	1.0
438.27850	0.7
439.32227	27.9
440.32614	3.6
455.35526	9.5
455.41394	0.7
456.35965	1.4
457.33087	1.9
458.33615	0.5
473.36569	100.0
474.36917	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	473.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19418	0.3
69.79478	0.7
69.79870	0.9
70.09211	0.3
84.72240	0.3
90.05224	0.3
98.22449	0.4
193.15976	0.6
205.16060	0.4
221.15440	0.4
226.86940	0.3
239.40906	0.4
245.19075	0.4
261.22366	0.4
263.23895	0.6
383.33258	1.0
401.34055	2.5
409.34592	0.5
411.36343	2.5
429.37405	3.5
430.37357	0.5
473.36429	100.0
474.36755	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	473.3641
Annotation	CHEMBL1651034
Peak:m/z	Relative Intensity
59.01385	2.4
60.99311	1.3
69.23934	4.2
71.05027	2.0
71.92782	0.6
82.80972	0.5
97.06657	0.8
98.22502	0.9
106.36581	0.5
115.04585	0.5
230.71538	0.5
255.75951	0.5
368.59494	0.6
393.32263	0.6
395.29694	1.1
397.31366	1.0
409.34940	5.9
410.35303	1.1
411.32584	3.5
412.33331	0.7
413.34369	4.9
423.83160	0.5
427.36282	0.7
429.37473	29.9
430.37830	4.1
443.32236	1.4
445.33038	2.8
455.36209	1.0
457.33597	0.8
473.36713	100.0
474.37012	13.7
474.43094	1.1
482.36383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3644
Annotation	Sipholenone D
Peak:m/z	Relative Intensity
55.18249	0.3
57.03458	0.4
69.75931	0.9
69.76325	1.0
71.01394	0.7
80.09127	0.4
80.50046	0.4
81.60640	0.3
85.06620	0.5
85.19947	0.4
99.35886	0.4
100.79088	0.4
104.15265	0.3
176.42094	0.4
365.28305	1.7
367.26495	0.6
381.31616	1.8
383.29657	1.1
386.78580	0.4
399.32574	2.4
422.41919	0.4
455.35489	5.9
456.35785	0.6
473.36389	100.0
474.36734	13.4
491.37408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74352	0.8
57.84703	0.6
59.01382	2.4
86.95062	0.7
87.43748	0.7
106.46252	0.7
118.12181	0.7
153.32135	0.7
153.88635	0.7
161.61090	0.7
189.12897	2.1
191.14456	3.2
205.16052	3.6
207.17598	10.9
229.08644	0.8
230.77304	0.8
230.79515	0.8
265.18115	17.9
267.19620	4.7
277.88431	0.7
279.37790	0.9
409.34821	1.2
413.30307	1.7
429.37762	22.3
430.38080	3.5
455.31418	1.8
457.15448	0.8
473.32297	22.4
473.36334	100.0
474.31696	1.6
474.37766	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	473.3641
Annotation	CHEMBL1651033
Peak:m/z	Relative Intensity
50.83820	1.8
57.70891	2.0
70.56453	4.2
135.73409	2.1
142.50684	2.2
152.24371	1.9
159.90509	2.1
205.15822	2.5
207.17612	2.9
262.86581	2.1
265.18027	10.0
409.34625	3.2
427.35910	5.1
429.37405	8.6
473.36392	100.0
474.36902	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	474.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43311	0.6
54.84247	0.6
58.53280	0.5
59.01381	9.3
59.97499	0.6
60.01724	0.6
61.98838	100.0
69.29168	1.3
69.29585	3.6
71.01414	2.2
84.81179	0.5
85.02956	0.8
89.02472	1.5
98.21828	0.8
101.02451	0.7
106.63751	0.6
134.03755	7.6
135.04086	4.7
136.19548	0.5
137.02473	1.5
138.02808	1.2
146.03790	1.1
149.06149	2.6
150.06480	1.6
151.04099	0.8
164.04782	0.9
178.02756	3.2
179.03052	3.3
179.07155	3.0
193.05074	12.7
193.74660	0.6
194.05426	12.0
195.05663	0.7
356.10934	2.0
413.82736	0.7
432.81866	0.6
436.64401	0.6
474.13840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13409	1.0
55.18600	0.9
59.01387	21.0
60.01698	1.3
61.98839	100.0
71.01392	7.8
71.26886	1.4
73.02950	1.1
75.00873	2.3
85.02939	1.4
85.22347	1.0
87.00888	1.6
89.02464	4.9
93.03459	1.4
96.54069	1.1
99.00905	1.3
101.02467	4.6
105.03497	1.7
105.74502	1.1
112.98857	1.1
113.02463	3.9
119.03519	3.1
134.03745	6.2
135.03093	1.5
135.04121	4.3
137.02390	1.2
138.02814	1.1
149.06056	3.9
150.02866	1.1
150.06473	1.9
151.04019	6.2
151.07671	1.6
161.04619	2.0
178.02751	4.5
179.03064	2.8
179.05620	2.1
193.05087	11.1
194.05423	10.5
194.83629	0.9
195.06696	2.5
224.06471	1.8
269.08270	1.2
313.06805	1.3
356.10788	2.8
357.11890	1.9
360.18390	1.2
430.23157	1.4
474.13196	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	474.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43311	0.6
54.84247	0.6
58.53280	0.5
59.01381	9.3
59.97499	0.6
60.01724	0.6
61.98838	100.0
69.29168	1.3
69.29585	3.6
71.01414	2.2
84.81179	0.5
85.02956	0.8
89.02472	1.5
98.21828	0.8
101.02451	0.7
106.63751	0.6
134.03755	7.6
135.04086	4.7
136.19548	0.5
137.02473	1.5
138.02808	1.2
146.03790	1.1
149.06149	2.6
150.06480	1.6
151.04099	0.8
164.04782	0.9
178.02756	3.2
179.03052	3.3
179.07155	3.0
193.05074	12.7
193.74660	0.6
194.05426	12.0
195.05663	0.7
356.10934	2.0
413.82736	0.7
432.81866	0.6
436.64401	0.6
474.13840	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12897	0.6
59.01371	1.1
59.66494	0.7
69.65909	1.7
69.66322	1.8
78.95912	80.8
79.38045	0.7
96.96964	3.3
98.22572	0.8
122.00150	1.5
140.01196	8.2
152.99609	9.8
166.02623	0.9
171.00682	7.9
196.02061	1.0
196.03815	13.1
207.17345	0.7
214.04849	2.5
217.93568	0.7
277.21750	100.0
278.22064	9.2
392.26663	1.6
394.28680	0.8
400.22751	1.0
408.29834	6.5
424.29248	1.1
425.83966	0.8
426.31067	1.3
474.26288	46.7
474.33127	14.2
475.26605	4.9
475.33170	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	474.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90918	0.4
59.01366	0.6
59.91171	0.4
61.98820	1.2
70.55952	1.0
70.56294	0.4
78.95448	0.8
78.95914	15.3
80.17196	0.4
81.14989	0.4
87.36466	0.4
96.96999	0.6
103.32242	0.4
127.87028	0.4
140.01216	2.5
152.99583	2.1
159.86008	0.7
160.84206	1.3
162.83926	5.9
171.00673	1.0
195.46445	0.4
196.03827	1.4
199.27940	0.5
214.04840	3.6
277.21747	100.0
278.22079	8.2
302.38528	0.4
408.29642	0.4
436.08887	1.2
438.08624	3.5
474.26279	9.6
475.26691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55385	0.4
59.01384	8.0
61.98817	1.7
62.52005	0.5
63.02382	0.7
65.00331	0.8
69.18030	3.5
71.38047	0.4
73.02960	0.6
83.01395	0.6
89.02473	0.5
92.53973	0.5
95.01336	0.5
98.22585	0.9
101.02443	0.6
107.01408	1.9
113.02499	0.6
123.00906	0.4
125.02448	0.4
132.02206	1.2
133.02971	1.9
139.36873	0.4
149.02478	1.4
151.00389	3.8
152.01010	0.4
153.17006	0.4
161.02455	0.8
175.04070	0.5
183.04509	1.0
188.04681	0.7
199.04031	1.3
200.04666	0.5
211.03949	1.0
227.03497	2.5
251.03741	0.6
253.05130	0.5
255.03001	17.1
256.03787	32.1
257.04111	2.3
281.04572	1.5
282.99329	0.7
283.02524	22.0
284.03284	100.0
285.03943	18.5
286.04407	0.9
298.04849	1.5
299.05569	5.8
309.03970	2.9
386.31155	0.5
443.07761	2.0
474.28290	0.5
475.10382	28.3
475.28348	2.0
476.10858	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	475.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44535	11.3
69.29600	76.7
71.01384	21.9
98.06692	10.1
115.00377	48.6
133.01430	100.0
224.21677	12.1
230.56258	11.5
236.87900	14.0
329.01877	13.9
415.38852	13.8
486.64816	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31430	0.7
58.00609	0.6
59.01387	33.6
61.98845	4.6
69.16479	2.3
69.16899	2.6
71.01385	5.3
72.99325	0.8
73.02956	1.2
75.00875	1.3
83.01390	0.7
85.02961	2.3
86.47697	0.6
87.00888	1.0
89.02458	5.4
98.21773	1.2
100.33499	0.6
101.02462	3.0
108.02240	1.0
113.02483	2.9
117.01953	1.5
117.12643	0.6
119.03519	2.1
119.05039	1.9
121.02983	1.7
123.04541	2.3
124.01672	0.7
125.02424	0.6
131.03371	0.5
134.03770	2.1
134.49940	0.6
135.02971	1.9
135.04582	7.6
136.04326	1.1
136.05321	9.9
143.03543	0.6
146.03754	6.9
147.04448	0.8
149.06052	0.8
151.04007	1.6
151.07651	2.2
161.04614	1.6
161.06110	2.6
164.04820	5.6
164.49924	0.6
175.79549	0.6
179.05745	1.0
179.07155	21.3
180.07669	0.9
193.05019	1.2
195.06651	100.0
196.07002	4.6
205.16907	0.7
357.11932	9.5
358.12076	0.8
475.14651	9.9
476.15027	1.1
504.10901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1616
Annotation	Isoscrophularioside
Peak:m/z	Relative Intensity
51.09692	0.9
59.01387	100.0
60.01721	1.2
61.98842	7.6
69.22530	1.7
69.22935	6.5
71.01396	14.3
73.02957	2.4
85.02955	3.9
87.00902	2.5
88.98826	5.0
89.02459	15.8
101.02454	8.4
108.02201	3.2
109.02959	1.8
113.02419	5.1
119.03514	5.8
121.02939	5.9
123.04578	1.6
134.03778	1.9
143.03516	1.5
145.02972	1.5
147.04520	1.0
149.06139	1.3
158.03741	47.4
159.04492	9.4
161.04561	5.9
171.04562	1.9
175.04041	1.2
176.04803	5.6
179.05682	3.7
189.05598	3.9
190.02753	2.0
201.81184	1.1
205.30791	1.0
208.03802	1.9
223.07712	1.9
224.08473	1.2
233.06117	1.5
235.07771	1.5
236.08293	1.5
237.05681	1.5
239.07155	1.1
251.07216	6.3
252.07953	1.4
261.05679	1.7
262.06424	1.5
263.07111	3.2
264.07877	1.2
265.05225	1.1
267.06732	1.7
268.07410	9.4
269.08139	1.9
279.06641	9.5
279.12189	1.2
280.07440	63.7
281.07910	4.7
283.09766	14.3
284.10226	1.9
295.09790	99.2
296.10284	7.0
297.07788	4.1
298.08533	7.5
313.10852	95.0
314.11270	6.7
342.35675	1.1
415.23309	7.6
475.16177	11.1
475.25616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.3
59.01391	11.8
60.80453	1.2
63.07892	1.4
64.66016	1.6
69.45664	3.2
69.46069	5.5
71.01387	18.6
72.99306	3.2
77.36336	1.5
80.16372	1.4
85.02972	2.8
87.00870	7.2
87.04522	1.8
89.02454	8.2
108.93726	2.7
113.02426	2.2
115.00410	2.4
119.04993	1.7
132.94670	7.0
133.01422	4.7
133.05081	100.0
134.03757	1.5
134.05409	3.9
135.04472	2.1
161.04471	1.5
179.05730	2.1
191.05617	19.6
195.06638	5.1
202.93532	1.4
204.53755	1.3
341.11008	7.4
377.08765	3.8
380.78336	1.6
415.14661	2.1
475.15707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03471	1.0
58.00595	1.1
59.01388	64.4
60.01730	0.6
60.77270	0.6
61.98792	0.7
66.53261	0.6
69.08050	1.5
69.08455	4.4
71.01391	23.7
72.99316	1.8
73.02947	6.2
75.00880	1.2
83.01387	2.5
85.02963	7.1
87.00894	5.6
89.02458	15.8
93.76061	0.7
95.01381	2.5
101.02464	13.7
104.05080	2.6
106.06660	3.2
113.01740	1.1
113.02470	13.3
119.03531	4.5
122.06200	1.0
123.11649	0.6
130.06606	0.7
131.03508	1.0
134.06148	23.2
135.03026	1.6
135.06465	1.1
143.03554	0.8
148.04068	31.9
148.05263	1.7
149.04524	1.5
152.07233	1.7
155.07056	0.9
160.04039	9.2
161.04590	3.1
174.05624	5.8
179.05589	1.1
192.48235	0.6
267.11414	6.9
271.19226	1.1
295.10904	39.8
296.11264	2.9
313.07349	0.9
313.11380	0.8
357.09760	1.9
415.23459	4.6
433.24478	2.7
447.17978	1.5
475.17267	100.0
476.17657	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	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	44.3
61.98815	2.4
69.30737	5.9
71.01389	2.1
71.57178	0.9
77.70805	0.7
77.84977	0.7
78.81393	0.7
82.69031	0.7
101.02486	1.5
108.12777	0.7
114.98985	0.7
135.04604	0.8
141.49670	0.9
145.02998	0.8
146.03760	33.4
147.04216	1.4
161.04785	1.1
161.06099	12.7
163.04115	1.2
164.04822	24.4
165.05113	1.0
174.80528	0.8
179.07162	100.0
180.07481	4.7
182.32173	0.8
226.44305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03440	1.0
58.00598	0.9
58.84400	0.7
59.01385	100.0
59.70503	0.7
60.01728	0.9
61.98849	4.6
69.08446	0.6
69.08802	6.7
70.24126	0.8
71.01388	21.9
72.99324	0.8
73.02956	5.1
75.00864	1.5
79.05678	0.7
83.01404	3.9
85.02966	5.6
87.00895	2.4
87.04556	1.4
89.02450	11.7
99.00921	2.9
99.04572	0.8
101.02451	12.6
102.84849	0.8
103.00364	1.1
111.00907	1.9
113.02464	9.8
119.03504	5.7
127.00362	1.5
131.03554	1.3
137.83324	0.7
143.03516	2.1
145.01495	1.1
154.99887	20.5
155.01103	1.4
161.04559	8.1
164.84186	0.7
179.05743	2.8
187.02483	6.5
209.11913	2.6
225.15004	1.4
227.12903	13.4
269.14059	3.0
271.19116	1.7
287.15042	36.2
288.15509	1.6
415.23303	8.8
416.23886	1.2
433.24539	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	475.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.7
57.03449	1.8
59.01385	100.0
60.01711	0.9
61.48701	0.5
61.83417	0.5
61.97355	0.5
61.98844	2.6
62.86521	0.5
69.28003	2.1
69.28429	1.4
71.01392	8.8
72.99313	2.2
73.02954	3.6
75.00881	3.6
83.00968	0.7
83.01388	3.5
85.02979	2.9
87.00909	1.5
88.93606	0.5
89.02446	4.9
89.02866	0.5
90.51987	0.6
97.06686	0.5
99.00901	2.1
99.04553	1.2
101.02475	4.6
109.06561	0.5
111.00893	3.6
113.02464	3.9
115.00439	0.7
117.01999	0.8
119.03547	1.8
125.02499	0.7
127.00433	0.6
129.01958	6.7
133.01489	0.8
135.03053	0.5
141.02002	0.8
142.99896	0.8
143.03529	0.7
147.03027	1.7
154.99889	1.8
161.04619	1.5
163.02708	0.6
171.02986	1.3
179.05768	0.7
189.12898	0.8
191.05701	0.5
205.03531	2.5
207.13858	2.5
209.11882	4.5
225.14990	7.8
226.15578	0.5
227.12910	21.1
228.13289	0.9
251.12956	0.9
269.13937	8.3
283.15674	1.8
284.03436	0.8
285.04111	2.8
287.15039	45.2
288.15286	2.8
295.10596	0.7
301.16525	4.6
302.17145	0.7
359.17447	0.7
371.99341	0.7
413.18188	0.7
415.23578	1.6
433.24472	0.7
442.06799	0.6
471.70422	0.7
475.18460	3.2
475.24918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.26807	1.5
58.00645	1.7
59.01387	100.0
60.01708	2.2
60.99298	6.3
61.98839	15.3
70.59377	3.2
70.59713	1.9
71.01389	23.8
73.02950	6.6
83.01389	2.9
85.02966	7.4
87.00888	4.4
88.98295	3.4
88.98818	46.3
89.02454	23.2
95.01407	2.4
101.02466	15.3
102.98640	1.9
113.02465	10.7
119.03506	5.3
148.04073	2.1
149.04498	2.0
161.04564	8.9
164.04832	23.7
165.05251	2.7
175.03922	4.1
179.05721	2.5
179.07146	29.3
225.09500	1.8
270.04483	2.1
283.05063	1.9
289.82629	1.6
295.10742	2.7
313.10699	3.8
415.15897	3.5
415.23459	5.9
466.81540	1.7
475.11472	3.5
475.17236	6.0
476.17224	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03460	3.6
58.00589	2.2
59.01387	100.0
60.59207	1.9
60.99312	4.6
61.98838	20.2
69.03464	2.2
69.23637	15.7
71.01393	38.5
71.05024	7.4
72.99323	3.4
73.02953	7.6
75.00877	3.2
83.01424	4.7
85.02962	10.2
85.06647	1.9
87.00894	7.1
87.06587	1.8
88.98828	29.6
89.02459	53.9
90.02750	2.5
90.22247	2.1
95.01431	3.2
97.06602	3.9
99.00927	4.0
101.02462	22.6
107.05103	2.9
109.06584	2.8
112.98848	3.2
113.02464	14.3
113.06111	4.3
115.07659	2.6
119.03567	12.9
119.05064	3.0
125.02499	2.8
125.06158	2.3
127.96011	2.2
134.03809	2.6
135.03018	7.3
136.05307	5.1
143.07204	4.2
149.04556	3.0
151.07666	13.2
154.99908	2.4
155.07211	3.2
158.21507	1.9
161.04568	8.0
173.00876	2.2
177.05556	2.6
179.05663	5.9
181.08862	2.7
191.05605	2.7
193.12444	1.9
195.06619	19.3
198.24229	1.9
235.13545	3.3
253.14542	4.0
291.61774	1.9
295.05176	2.1
310.50021	2.1
357.10187	2.2
471.66928	2.4
472.73141	2.1
475.14383	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.1
59.01384	100.0
64.54356	1.1
69.02606	10.8
70.36389	1.0
71.01388	25.3
73.02956	7.5
82.82906	0.9
83.01377	2.2
85.02964	11.0
87.00887	1.8
87.04526	3.8
89.02453	17.6
95.01413	3.2
99.00883	2.4
101.02459	12.8
113.02461	26.0
118.89397	0.9
119.03510	5.9
131.03510	2.2
143.03537	2.1
146.49516	1.0
146.62793	1.0
161.04588	6.0
179.05695	2.7
191.60231	1.0
415.23450	11.4
416.23874	1.2
433.24512	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03445	1.2
59.01385	100.0
61.34361	0.7
69.03465	0.8
69.23613	4.4
69.24023	1.8
71.01389	18.9
72.99371	0.7
73.02943	9.8
73.03256	0.8
83.01411	2.6
85.02966	9.9
85.03424	0.9
87.00932	1.1
87.04536	0.9
89.02447	7.0
89.77250	0.8
95.01417	1.7
99.00903	0.9
101.02457	11.8
113.02464	10.5
115.42773	0.9
118.96709	0.7
119.03538	2.1
125.02439	0.9
127.40075	0.8
132.43726	0.8
143.03572	1.3
147.11826	0.7
154.99901	0.9
159.03116	0.8
161.04581	8.9
179.05641	1.7
182.91724	0.7
207.22510	0.7
271.19278	2.1
287.15097	1.3
400.85617	0.8
415.23398	22.2
416.23911	2.2
433.24298	4.9
446.49182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19728	0.6
55.01881	1.6
57.03448	0.8
58.84134	0.7
59.01383	100.0
60.01728	0.9
62.39674	0.6
62.53728	0.7
69.03460	1.5
69.15993	5.2
71.01389	22.3
72.21819	0.6
72.75082	0.7
72.99290	0.8
73.02951	14.5
73.51714	0.6
74.09715	0.7
75.00867	0.9
79.53030	0.6
81.32501	0.7
83.01392	3.6
85.02952	6.6
87.00907	1.3
87.04506	0.7
89.02457	13.7
89.02962	1.0
95.01410	2.2
99.00909	1.5
100.39316	0.7
101.02456	17.1
101.06146	0.6
102.02812	0.8
103.26328	0.7
113.02454	11.7
119.03494	5.1
125.02435	0.7
131.03543	1.3
131.46141	0.7
143.03549	2.7
145.03052	1.0
149.04640	1.6
150.14732	0.7
154.99847	3.2
156.28749	0.7
161.04553	6.1
175.39238	0.6
179.05672	2.7
187.02548	1.0
206.97563	0.7
208.00018	0.7
227.13034	2.8
228.89539	0.7
268.23831	0.6
269.14056	1.2
271.19315	1.8
287.15024	5.9
288.15643	0.8
307.08411	1.0
375.88116	0.9
415.23584	3.6
416.23996	0.9
433.24619	2.4
434.24927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54044	0.6
55.01896	0.8
57.03456	1.7
59.01385	100.0
60.01712	1.3
62.27719	0.6
65.85580	0.7
66.68695	0.7
69.05173	6.6
70.25882	0.6
71.01391	23.6
71.55399	0.6
73.02954	8.8
78.20087	0.7
83.01390	3.4
85.02952	9.5
87.00906	1.4
87.04545	2.2
89.02463	15.4
89.03033	0.8
93.72968	0.6
95.01419	2.5
97.03009	1.3
99.00868	1.0
101.02457	11.8
113.02459	22.6
119.03524	6.1
125.02549	0.8
131.03519	1.5
143.03569	2.0
149.04623	1.7
161.04547	8.3
179.05667	2.9
203.31447	0.6
253.67348	0.7
402.42862	0.6
415.23447	12.8
416.23993	1.1
433.24500	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	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03441	1.7
58.00582	1.3
59.01384	100.0
60.01724	1.8
61.98824	3.1
66.96877	0.8
69.20338	5.8
70.85606	0.8
71.01392	28.3
72.99300	2.1
73.02944	5.2
75.00876	3.4
75.33624	0.7
78.91895	11.6
82.56622	0.9
83.01382	3.1
85.02960	6.9
87.00874	3.3
87.04517	1.3
89.02457	24.5
93.03481	1.0
95.01389	2.1
97.02935	1.4
99.00925	2.1
99.04529	1.3
101.02450	16.6
101.06109	2.0
101.24402	1.1
109.95419	0.8
111.00965	1.0
113.02460	15.8
119.03509	10.6
125.02439	1.8
131.03537	1.9
133.02997	1.0
143.03493	2.3
147.11694	1.0
149.04475	1.0
151.00365	2.2
154.99821	1.4
161.04559	8.5
172.63814	0.8
172.66643	0.8
179.05615	6.2
191.87134	1.0
209.07135	1.5
227.12938	1.2
237.29785	0.9
253.06155	0.9
268.03687	1.4
270.04529	1.4
271.05945	1.5
271.19012	1.3
284.03253	4.5
285.04019	8.6
286.04425	1.5
287.15091	2.0
315.17960	1.0
350.55936	0.9
415.23477	11.5
433.24390	4.8
447.09393	3.2
475.11096	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	475.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.0
59.01384	100.0
60.01716	1.4
69.65459	2.1
69.65859	1.2
71.01389	10.7
73.02953	5.7
75.00866	1.4
83.01396	1.7
85.02950	4.2
85.06623	0.9
87.00861	1.5
87.04511	0.8
89.02454	6.6
99.00901	0.9
101.02445	8.3
104.74196	0.7
107.09348	0.7
113.02469	4.7
119.03511	2.8
121.64407	0.8
127.24474	0.7
140.57123	0.7
143.10815	1.7
154.99911	1.0
159.02972	0.8
161.04564	4.6
179.05551	1.3
183.13972	1.1
195.29062	0.7
195.98442	0.9
209.15564	0.7
227.16553	1.1
243.19624	2.3
253.18097	1.0
271.19379	0.9
284.03183	1.0
285.04050	3.5
287.14966	1.2
321.81253	0.8
357.26581	4.3
415.23221	3.0
433.24118	1.5
475.13727	0.9
475.25372	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	475.3072
Annotation	3beta-Malonyloxy-15-isovaleryloxy-ent-labda-7,13E-dien methylester
Peak:m/z	Relative Intensity
50.87198	0.6
54.17977	0.6
59.01362	2.2
60.58228	0.5
65.29995	0.5
70.05475	0.6
71.01390	0.8
76.15434	0.6
102.58695	0.5
104.85252	0.6
110.38760	0.5
211.17447	0.6
277.21738	4.9
278.22095	0.8
279.23209	1.1
319.22720	0.8
342.13229	0.7
371.29605	8.3
372.29749	1.3
413.30399	1.7
415.28613	1.0
431.31662	30.4
432.32053	3.6
457.29660	1.9
475.30566	100.0
476.30905	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3435
Annotation	2-epi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
50.53460	0.5
59.01385	5.0
61.47822	0.5
69.04255	2.5
69.04682	3.2
78.95899	1.0
131.43495	0.6
189.66473	0.5
279.23367	1.1
369.31653	1.2
413.30521	1.5
415.32162	1.2
429.33792	11.2
430.34042	1.1
433.33389	1.5
457.32892	1.8
475.34344	100.0
476.34659	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	475.3435
Annotation	2-epi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
56.62538	1.0
56.88785	0.9
59.01362	3.8
69.14722	5.8
69.15128	2.0
70.83553	1.0
71.05030	13.1
73.02944	1.4
87.84113	1.1
98.17911	0.9
116.33939	0.9
120.90195	0.9
130.02585	0.9
179.56725	0.9
289.33121	0.9
401.30417	2.7
413.30362	2.3
415.32288	10.3
416.32352	1.1
431.35034	2.2
457.33313	10.4
458.33170	1.1
475.34171	100.0
476.34567	13.3
493.33640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3432
Annotation	Oogoniol
Peak:m/z	Relative Intensity
59.01376	2.7
59.71775	0.8
65.88416	0.7
69.20108	4.9
70.89083	0.6
71.05027	4.3
117.06940	0.7
120.09902	0.8
146.65355	0.7
186.75703	0.8
209.45125	0.7
239.16599	3.1
265.18008	0.7
268.64929	0.7
279.23383	3.0
295.43356	0.6
308.16727	0.7
309.92908	0.6
331.10876	0.7
363.68088	0.7
395.29681	2.1
395.34076	0.9
397.31128	5.1
398.31656	0.8
409.31390	2.3
411.32916	6.7
412.33005	1.1
413.28784	1.7
413.34265	27.2
413.39554	1.5
414.34793	3.1
427.32245	1.8
431.35965	4.2
445.33243	23.0
446.33621	2.4
457.33685	3.5
475.34424	100.0
476.34848	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	476.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
59.01385	43.1
60.01713	4.7
60.91468	1.1
61.98838	100.0
68.27779	1.0
69.30779	7.7
71.01393	10.9
72.01727	1.0
73.02946	4.5
78.91889	1.3
83.01392	1.8
85.02972	3.5
89.02445	9.7
89.50813	1.1
91.48840	1.0
93.03464	1.2
98.21807	1.4
99.00874	1.5
101.02464	6.9
101.03028	1.2
113.02453	4.7
119.03527	5.2
161.04607	3.7
173.04506	1.4
179.05649	2.2
188.81587	1.3
208.81128	1.4
288.15488	1.7
334.91089	1.3
416.23303	3.1
433.24377	1.7
434.24252	1.4
477.23813	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	476.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
71.27580	0.9
78.71942	0.9
98.09817	0.8
98.38705	0.9
196.84232	0.8
447.20709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99109	1.7
59.01385	100.0
60.01727	3.6
61.98838	6.9
69.17517	15.6
69.17910	4.6
71.01389	23.8
72.01735	2.2
72.57034	1.8
72.99320	3.2
73.02955	10.0
75.00879	10.9
76.62605	2.0
83.01389	5.1
85.02964	7.3
87.00890	17.7
88.98823	8.8
89.02454	22.0
98.22534	4.0
101.02459	17.9
108.04585	2.7
113.02434	10.6
114.26597	1.8
117.01952	2.3
119.03513	12.2
127.00437	2.0
135.03030	21.6
136.07690	3.8
155.00052	2.0
159.03159	1.8
161.04588	8.7
179.05669	5.1
179.79153	2.0
191.05727	2.0
207.13937	4.0
209.11844	5.7
225.14958	5.1
227.12880	24.5
269.13913	9.3
287.15012	61.8
405.17749	6.6
433.24484	16.5
434.24918	2.7
477.23553	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	476.2788
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.05960	0.3
59.01406	0.6
66.04652	0.2
70.35223	0.2
73.06255	0.2
78.95914	8.4
83.05041	0.3
98.21729	0.3
106.97433	0.3
122.00160	0.3
139.35289	0.2
140.01183	1.9
152.99594	0.8
164.14229	0.3
164.97237	0.3
171.00673	0.3
175.35735	0.2
187.55966	0.2
196.03831	1.4
214.04874	2.5
228.38068	0.3
279.23309	100.0
280.23657	8.4
281.22211	0.2
283.82153	0.3
320.20715	0.3
414.34680	1.1
422.79208	0.3
446.33566	0.5
476.27872	5.4
476.34702	2.6
477.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
62.14941	0.4
69.79891	0.9
78.95914	39.6
96.96957	1.3
116.57110	0.4
122.00116	1.1
140.01207	5.8
147.29381	0.4
152.99619	3.4
171.00658	2.5
172.95665	0.4
179.49429	0.3
196.03825	12.2
214.04893	2.7
279.23315	100.0
280.23697	8.5
476.27850	27.7
477.28036	3.3
501.49866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
62.39713	0.3
62.96409	0.4
63.32769	0.2
70.91852	0.5
71.52437	0.2
75.16431	0.2
78.95912	100.0
96.96974	7.3
140.01170	0.3
150.23309	0.3
152.99611	15.8
171.00668	17.1
235.98390	0.3
279.23212	0.4
300.28699	0.3
402.23993	1.7
476.27835	49.3
477.27914	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	0.9
59.01389	13.5
59.52685	0.9
61.80922	0.7
61.98824	2.3
70.16614	1.6
71.01395	8.5
74.06224	0.8
85.02965	3.7
89.02442	6.3
95.01412	1.1
101.02457	5.2
108.01489	1.4
108.02189	19.4
109.02969	44.1
110.03286	1.4
111.00900	1.0
113.02459	3.6
119.03534	1.2
123.00890	1.9
124.01743	0.8
127.20139	0.8
135.00967	1.1
135.04523	1.8
137.02486	1.0
147.04539	1.5
151.04086	1.3
151.99991	1.8
152.01173	30.8
153.01961	100.0
153.05544	5.9
154.02283	2.7
161.04567	1.0
163.04005	1.0
164.07201	2.9
165.01927	1.0
167.03494	1.8
177.01862	1.1
187.42780	0.8
195.02998	20.8
196.03355	1.2
225.03984	0.9
255.05170	7.0
297.06467	0.9
315.07245	87.6
316.07645	5.4
357.08417	0.9
477.12555	48.9
478.13083	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	477.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86032	0.5
58.00575	0.6
59.01136	0.6
59.01392	8.0
61.98845	3.5
69.04260	3.6
69.04666	1.5
71.01386	5.5
72.99309	0.7
73.02921	0.6
74.99101	2.2
75.00868	1.3
85.02950	1.3
87.00892	0.8
89.02457	5.4
90.58331	0.5
93.03465	1.0
95.01394	2.9
96.96023	0.6
101.02458	2.5
111.77322	0.6
113.02438	2.2
118.98082	1.2
119.03520	2.1
119.05026	1.6
123.00896	21.5
125.87331	0.8
133.02933	0.9
137.02402	0.6
137.06081	0.8
138.03252	30.2
153.05594	13.4
157.86308	1.9
161.04559	0.9
163.07726	1.0
166.00957	2.0
166.99879	10.0
177.05827	0.5
179.05705	1.0
181.03285	5.8
182.02231	41.5
183.02550	1.4
195.06631	3.6
197.04570	100.0
198.04861	4.1
223.04239	0.9
239.05432	0.7
257.89484	0.7
285.89087	1.1
297.04248	0.9
359.09857	18.2
360.10187	1.5
477.11188	5.7
477.95419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.7
59.01386	100.0
60.99303	3.5
61.98839	12.8
69.16245	11.6
69.16649	4.8
71.01385	23.1
72.99310	4.7
73.02949	7.4
75.00877	5.5
83.01391	6.0
83.05053	3.9
85.02990	9.6
87.00887	9.2
88.98818	13.6
89.02447	13.5
92.35695	2.1
93.03503	2.3
95.01387	2.0
99.04533	5.5
101.02446	12.8
109.02917	2.0
109.06602	6.1
111.00900	6.0
113.02478	9.0
113.36894	1.8
119.03497	5.4
123.08181	5.3
125.06072	7.8
129.01945	8.2
134.03772	6.5
135.03018	3.1
145.08719	2.1
147.03053	10.0
149.06091	6.7
150.03185	3.1
154.99869	2.7
161.04561	6.9
166.02774	3.1
167.07111	5.8
179.03207	2.0
179.05644	4.8
181.05095	3.3
191.05623	3.2
237.14859	2.2
241.14478	6.1
243.12410	16.9
255.16104	3.9
267.09958	2.9
285.13467	6.8
294.96085	1.9
303.14478	11.8
315.12610	2.5
359.20432	2.0
415.16113	5.4
433.17065	14.6
441.72440	2.0
477.15701	2.4
477.23956	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94533	1.8
52.10139	1.7
53.16390	2.0
59.01384	100.0
61.98840	19.9
71.01383	14.5
71.26299	2.3
73.02945	3.1
78.95924	2.6
85.02962	5.1
87.00905	3.2
89.02452	3.9
96.17085	2.0
96.96972	4.3
98.21854	1.9
99.04543	2.3
101.02455	8.4
101.98766	1.7
106.12492	1.8
113.02446	5.3
119.03523	2.8
121.02962	13.7
125.06071	2.1
133.05040	2.4
135.04599	3.6
147.03046	2.8
149.06055	3.1
157.88240	2.1
161.04593	13.4
166.06372	70.3
167.06813	2.0
180.75473	1.9
181.08731	97.6
182.09071	5.4
199.69827	1.9
216.85992	1.9
235.08282	10.4
243.12427	3.4
303.14349	2.7
328.89224	1.9
417.17618	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19717	1.3
53.34596	1.3
58.32948	1.4
59.01388	100.0
60.01710	3.5
60.99306	5.6
61.98827	5.1
69.16754	1.4
71.01395	12.7
71.28165	2.8
72.99302	1.7
73.02943	5.8
74.07141	1.3
75.00876	9.3
78.19936	1.3
83.01389	4.8
85.02953	3.5
87.00893	6.6
88.98823	45.0
89.02456	18.8
89.88746	1.2
92.87751	1.3
98.40749	1.4
99.00885	2.0
99.04530	2.5
101.02482	7.2
113.02473	5.0
117.01937	2.1
119.03506	2.4
135.03012	22.8
135.04541	2.7
136.89082	1.5
147.03098	1.9
148.04051	2.0
159.39578	1.3
161.04607	2.8
161.06017	3.1
165.12883	2.2
173.04568	6.4
191.05632	1.5
197.11809	1.5
207.13914	2.7
209.11803	3.9
223.68199	1.3
225.15021	8.8
227.12915	32.7
241.10683	2.2
243.12352	1.8
244.50763	1.4
251.12860	1.7
269.14053	11.6
287.15054	90.5
288.15311	5.7
315.12424	4.8
359.13306	2.2
359.17090	2.4
359.20926	2.9
405.17615	8.8
406.17618	2.2
417.24921	2.2
477.17200	10.2
477.23935	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72773	3.4
57.98544	4.3
59.01375	7.5
62.66951	3.7
70.72408	4.1
70.72729	7.5
75.43402	4.5
78.95919	17.1
97.97960	3.9
151.84871	4.2
171.00655	4.8
178.89827	3.7
183.80223	4.0
279.23270	13.0
353.11035	4.3
373.31070	9.6
433.33206	35.3
434.33496	6.0
459.30936	5.2
477.31772	100.0
478.32486	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	477.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.2
59.01385	100.0
63.81802	1.5
71.01392	38.2
72.99306	2.1
73.02950	8.6
77.39515	1.3
80.44971	1.4
83.01410	4.3
85.02966	12.1
87.00896	2.3
89.02458	20.8
95.01384	2.9
99.00874	3.1
101.02451	30.9
103.04044	1.8
113.02463	15.7
119.03547	7.7
143.03491	3.5
149.04524	1.9
154.53154	1.6
161.04582	22.5
179.05611	5.5
183.69492	1.5
194.31961	1.5
285.03992	3.0
286.04349	2.8
417.24960	38.2
417.63113	1.5
418.25317	3.9
488.72318	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	478.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.3
61.98838	100.0
67.19955	1.1
69.72347	1.0
71.01371	3.4
73.02933	1.0
75.00850	1.3
83.50195	1.1
85.02952	2.4
89.02444	3.5
93.03497	1.2
101.02451	1.6
111.41563	1.1
113.02505	1.7
118.30840	1.2
119.03482	1.2
120.01241	2.1
135.04523	1.5
139.82298	1.2
149.02455	1.2
150.03218	1.1
153.01941	1.3
167.62553	1.3
191.05612	1.3
192.04256	1.0
195.06604	1.6
301.07187	4.0
316.09521	3.4
317.19574	1.6
328.11887	1.2
431.16788	1.3
460.22711	1.2
478.19894	3.4
479.25305	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	478.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
61.98837	100.0
71.01385	6.1
71.41872	1.5
81.80401	1.4
85.02961	1.6
95.01391	1.5
101.02507	2.3
112.98568	1.6
113.02461	1.8
161.04674	2.2
173.69589	1.5
219.44908	1.5
257.79483	1.6
286.79617	1.5
327.12213	2.1
397.22137	1.7
479.32712	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	478.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57275	6.6
54.81104	6.0
59.01126	8.6
59.01391	84.5
61.98828	48.6
69.09335	36.7
69.09739	9.7
71.01386	43.0
73.02930	10.9
82.17943	5.8
85.02940	13.5
87.04530	100.0
89.02435	14.6
97.55761	6.8
101.02456	22.6
103.04035	39.1
113.02460	13.2
145.19598	5.7
161.04587	10.1
251.04933	6.4
301.22046	6.8
479.25546	14.1
479.32068	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	478.9521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51891	0.7
51.28321	0.6
59.01366	1.1
71.25241	0.8
72.99326	1.0
73.14946	0.6
73.15379	0.7
80.61476	0.7
87.06731	0.7
96.96019	1.8
111.84618	0.8
119.93731	0.8
133.63649	0.6
134.96112	15.2
135.96179	1.4
136.94029	43.6
137.94093	3.2
151.92732	1.7
152.91779	14.4
167.90471	1.0
170.14238	0.7
178.95085	78.4
179.95216	5.0
192.95886	3.9
194.92838	32.7
194.95633	2.6
197.38365	0.8
212.93922	3.0
250.93854	1.3
252.91867	2.3
292.95062	7.5
294.92941	11.5
295.93048	0.9
320.96271	9.6
321.96387	1.4
336.94006	100.0
337.94171	9.3
436.95309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26054	0.6
58.00605	1.2
59.01387	30.2
61.98825	2.8
71.01392	16.9
72.99301	1.8
73.02951	1.1
73.87024	0.6
83.01388	1.2
85.02977	4.0
87.00899	0.7
89.02461	15.6
89.97991	0.8
95.01397	1.1
98.21706	1.1
101.02463	8.9
102.64619	0.6
109.01808	0.7
112.09351	0.6
113.02468	6.7
113.03247	0.6
113.03582	0.9
118.98176	0.8
119.03497	5.5
123.00836	1.1
129.09314	0.9
134.03716	1.0
139.07681	0.8
147.00903	23.6
148.01694	10.8
161.02422	0.9
162.03250	32.4
163.03864	2.6
224.04837	1.1
225.05669	1.0
240.04274	1.2
241.05042	2.0
253.05061	3.9
267.06705	6.4
268.03842	0.9
268.07239	0.8
269.04578	13.1
270.04916	1.2
271.09607	0.8
283.06143	4.8
284.06912	11.5
287.09036	0.7
299.09283	100.0
300.09589	8.0
317.19730	5.4
361.22467	2.6
479.18509	1.1
479.25092	19.0
480.25269	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	479.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
59.01385	34.5
61.98835	4.9
69.51181	9.1
71.01382	12.7
72.99316	3.4
73.02946	3.5
73.62435	1.7
75.00868	3.4
81.03475	1.9
83.01389	1.9
83.05047	2.8
85.02988	7.6
87.00866	8.8
89.00695	2.1
89.02455	13.6
93.03474	1.6
97.02960	3.2
97.06605	1.9
99.04559	1.7
101.02432	7.4
104.91173	1.7
111.04509	2.3
113.02472	5.6
119.03542	4.1
121.06572	1.9
123.08215	8.3
128.03580	2.9
135.02989	2.3
139.07668	2.6
142.98154	1.8
145.10287	1.8
150.03358	2.2
153.01938	2.0
159.06651	7.1
161.04671	3.4
168.04382	2.5
171.11829	11.3
179.00218	14.8
179.05655	2.6
183.06668	6.0
189.12793	2.6
191.05623	3.5
201.12785	3.6
207.13835	3.0
213.73651	1.6
219.14043	2.5
237.14943	11.6
260.36664	1.5
281.13968	100.0
282.14307	7.2
317.11243	1.8
419.19211	2.3
479.15305	8.3
497.01425	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	479.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
59.01096	2.5
59.01384	50.7
61.98813	1.4
69.14230	9.7
71.01373	5.0
73.02956	4.1
75.00878	4.7
89.02449	2.9
90.46082	1.1
101.02451	2.8
105.34969	1.2
116.80573	1.2
121.52326	1.1
135.03036	9.2
139.11305	45.2
140.11626	3.2
163.11319	1.9
165.09239	2.7
167.93388	1.2
181.12378	29.4
182.12660	1.4
183.10292	49.3
184.10625	2.6
199.13368	15.0
225.11343	18.8
226.11864	1.3
243.12389	100.0
244.12715	6.5
302.11682	1.2
343.13968	2.4
361.15076	61.0
362.15378	4.2
379.62341	1.2
461.16809	2.7
479.17743	63.4
479.24442	2.6
480.17935	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	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98830	14.3
69.10890	64.7
71.01376	14.2
73.02957	12.1
75.41314	7.7
84.47250	6.7
85.02917	6.7
87.00885	31.3
98.61713	6.2
109.48118	6.8
129.01942	18.4
145.44839	6.3
147.02931	15.4
162.36198	6.2
207.13814	9.7
225.14989	20.4
227.12897	40.4
269.13815	17.3
287.15118	48.5
417.17816	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	479.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41359	1.3
57.03444	2.4
59.01387	73.8
60.01733	1.2
60.26809	1.3
61.98841	3.0
63.16939	1.2
69.25189	3.5
69.25615	6.1
71.01391	15.2
71.05011	1.4
72.99315	4.4
73.02957	7.4
75.00877	5.2
83.01382	1.6
83.05034	1.8
85.02976	5.1
87.00893	2.8
87.04529	1.6
89.02455	13.5
95.01382	1.4
99.00898	2.6
101.02453	10.6
101.06089	1.9
113.02477	6.7
117.01948	2.3
119.03529	5.4
129.05569	1.3
135.03012	16.7
135.04489	1.6
139.11305	36.4
140.11682	1.8
143.03505	1.6
152.01170	2.6
155.10823	3.9
158.43054	1.3
161.04626	2.2
165.09251	2.9
165.12926	1.4
173.04590	2.0
173.08168	3.0
179.05650	2.3
181.12367	19.4
183.10281	41.3
183.11845	2.8
184.10681	1.3
191.05687	4.5
199.09750	2.0
199.13420	13.0
225.11330	14.2
227.13007	1.8
243.12395	100.0
244.12708	4.8
287.15021	2.4
291.10910	2.2
299.18646	3.3
315.07053	2.4
317.19693	12.3
333.34985	1.3
343.14246	1.7
361.15088	48.5
361.22208	2.8
362.15500	2.9
362.22464	1.4
425.47754	1.3
433.24396	4.8
445.05853	1.9
461.17004	2.3
479.10690	2.6
479.17758	50.8
479.25055	53.0
480.17984	5.2
480.25546	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	479.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49535	1.1
55.01872	1.4
57.03466	2.5
58.00582	1.4
59.01385	64.8
61.35698	1.3
61.98825	3.0
71.01387	9.7
72.99313	2.2
73.02951	7.8
75.00878	11.9
83.01391	1.9
85.02956	3.1
87.00909	2.2
89.02458	10.3
101.02465	6.3
113.02464	4.4
117.01996	2.4
119.03531	4.3
129.05617	1.8
135.03020	21.4
139.11311	40.7
140.11708	2.2
155.10828	4.0
163.11342	1.6
165.09293	2.0
181.12366	27.6
183.10294	47.6
184.10626	1.8
191.05637	3.0
192.49472	1.1
199.09904	1.6
199.13434	14.7
225.11383	17.3
226.11913	1.7
243.12393	100.0
244.12697	6.1
251.01871	1.4
287.15076	2.7
299.18671	2.3
343.14197	2.6
361.15073	66.0
362.15393	5.9
433.24918	2.0
461.16821	1.8
479.17740	45.3
479.24881	10.4
480.18195	4.2
480.25357	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06815	0.7
55.01867	1.1
57.03448	0.8
57.42017	0.7
59.01385	15.1
61.98843	0.8
68.46230	0.7
69.03452	1.4
71.01387	10.5
71.26915	0.9
72.99302	1.4
73.02947	2.2
75.00870	3.0
83.01409	2.1
85.02954	4.2
87.00880	3.4
89.02450	7.2
92.97503	4.5
93.03473	0.7
95.01421	1.3
97.02962	100.0
98.03305	2.1
101.02465	4.4
111.04626	0.8
113.02462	4.3
115.04031	1.3
119.03522	3.1
128.03571	1.1
131.03474	0.8
135.02997	2.8
137.09737	2.6
146.47028	0.7
161.04559	1.5
165.05542	1.0
179.05635	1.3
180.07977	0.8
181.08778	4.8
183.10173	0.8
191.05682	1.3
199.09695	1.1
199.18941	0.8
215.18604	0.8
229.05107	0.9
243.12402	1.3
268.33774	0.7
273.04068	2.2
321.37180	0.7
343.14038	2.1
344.93793	0.7
361.15070	9.1
361.22028	1.1
479.17697	18.3
479.24362	1.2
480.18185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	2.0
57.03463	1.6
58.00613	1.4
59.01386	22.5
60.02096	0.6
61.98845	0.8
69.32616	0.6
69.32983	5.0
71.01392	17.8
73.02969	6.9
75.00938	1.2
83.01393	4.2
85.02962	9.3
86.00154	1.0
87.00907	1.6
89.02453	7.3
95.01469	1.5
99.00955	1.8
101.02461	16.2
111.00941	1.3
113.02464	5.5
119.03484	3.3
123.06187	0.7
135.03043	1.6
155.10861	0.9
161.04552	1.9
168.70198	0.7
170.69186	0.6
179.05746	1.0
181.12396	1.7
199.13402	8.7
209.16734	0.7
248.38887	0.8
286.03625	0.7
343.17706	1.6
361.18710	100.0
362.18973	8.0
367.38083	0.9
416.21127	0.8
433.24323	2.0
479.21323	33.8
479.73862	1.5
480.21716	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	479.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.40933	1.2
61.98838	2.5
71.01391	2.4
72.45589	1.4
81.50684	1.5
87.04517	3.0
99.00948	1.8
142.26662	1.5
211.55287	1.8
302.78375	1.6
461.21432	1.8
479.25925	18.7
480.26407	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	479.2657
Annotation	Clerodinin C
Peak:m/z	Relative Intensity
57.03473	1.0
59.01388	100.0
59.36439	0.8
60.01723	1.4
61.98841	1.1
67.22367	0.8
68.50746	1.0
70.37758	1.4
70.38094	1.7
71.01394	15.8
73.02959	6.9
83.01416	2.9
85.02944	3.9
87.00900	1.0
89.02460	9.6
94.86993	0.7
95.01397	1.6
99.00949	1.5
101.02450	10.2
106.92742	0.8
113.02465	8.3
113.03043	0.6
114.94801	0.9
119.03542	3.9
126.73460	0.8
131.03572	1.0
131.54765	0.8
137.09724	0.8
149.04587	1.3
161.04619	2.6
179.05739	1.4
370.47552	0.8
419.24515	1.3
437.25925	1.4
479.25876	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	480.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98825	0.7
59.01096	1.7
59.01382	25.2
61.98824	2.1
69.21521	4.8
71.01382	2.5
72.00911	13.8
72.99284	1.0
75.00883	9.1
79.48808	0.8
85.02943	1.1
85.91031	0.7
89.02438	2.8
93.53951	0.7
99.00913	1.6
99.97166	1.2
100.98790	1.2
101.02436	1.3
103.00387	5.9
108.02140	1.1
109.03063	1.2
109.03826	0.9
112.98815	1.1
113.02456	2.1
116.63631	0.7
119.05022	1.0
125.90108	0.7
132.98210	0.9
141.98256	4.9
142.99953	0.8
147.04535	41.2
148.04854	2.2
153.01901	1.4
164.07178	71.9
165.01959	5.2
165.07541	2.4
166.02332	1.1
174.99287	7.5
175.02553	1.8
180.04271	2.4
181.04634	1.2
187.98781	5.3
191.05737	0.9
195.06633	6.7
196.06996	3.6
217.00325	18.0
229.99802	2.2
258.15707	0.7
262.06107	0.9
281.14288	0.9
281.33701	0.7
322.06104	100.0
323.06470	5.5
390.13477	1.3
480.04965	13.8
480.10757	5.4
481.04230	0.9
481.10245	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	480.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.72072	32.5
63.29582	29.3
65.28581	31.7
71.01392	41.3
71.47138	30.4
81.47399	27.9
106.58430	32.0
132.19373	30.6
161.55975	37.3
228.76756	39.2
229.30611	30.1
272.63074	33.3
293.43594	37.1
348.61737	34.3
389.01740	31.5
430.91434	31.6
457.39941	40.1
458.21384	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
61.98836	100.0
71.01387	2.1
73.02949	1.4
75.34656	0.7
85.02964	1.7
89.02481	1.3
101.02492	1.8
114.30329	0.8
161.04533	1.1
229.35307	0.8
373.00061	0.8
379.84454	0.9
386.90173	0.7
390.11768	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86013	0.6
59.01397	1.1
61.98837	100.0
66.20456	0.7
80.60397	0.9
94.66413	0.6
98.22527	2.0
124.71616	0.7
135.03008	0.9
138.73727	0.7
312.43671	0.8
315.86444	0.8
405.27127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11864	0.2
58.63016	0.2
59.01388	0.2
65.76519	0.2
68.26881	0.2
70.90266	0.4
71.14035	0.2
78.95913	18.2
83.31556	0.2
96.96980	0.3
100.73540	0.2
104.97403	0.2
122.98536	0.2
152.99606	2.6
168.04333	2.6
224.06955	8.7
224.70827	0.2
242.07986	2.1
245.04329	0.3
253.21722	0.4
255.23318	100.0
256.23657	7.7
256.30072	0.2
283.02414	0.3
338.80231	0.3
354.58939	0.2
360.94046	0.2
368.48218	0.2
403.75189	0.2
480.31003	20.0
481.31348	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72035	1.9
57.03450	2.7
58.00594	6.3
59.01386	99.2
59.48486	2.0
61.98844	3.1
62.42846	1.9
69.03450	3.0
71.01392	75.7
71.25838	2.1
72.01719	2.9
72.99312	7.3
73.02949	2.3
75.00875	2.6
83.01407	3.5
85.02976	13.5
87.00886	6.9
89.02457	100.0
95.00838	2.0
95.01395	6.2
101.02454	38.7
108.02180	2.2
110.38210	1.9
113.02465	25.3
117.03802	6.3
119.03518	32.6
120.03854	2.5
125.02413	4.4
131.03482	6.7
134.03760	23.8
135.03029	3.2
135.04547	2.1
136.00742	3.6
136.01688	50.9
143.03490	2.6
149.06097	16.9
150.03290	2.5
151.04039	58.0
152.04395	2.0
161.04591	6.4
167.03517	2.7
179.05632	9.2
195.06584	3.4
197.06050	7.2
197.08264	6.2
208.05351	3.6
209.06096	20.1
224.04599	2.4
225.05650	10.4
231.07083	5.7
236.04863	5.0
237.05588	48.1
238.06346	13.8
247.71802	2.0
251.07098	6.3
252.04233	2.8
252.05086	2.4
252.07965	43.7
253.05122	35.1
253.08633	11.1
267.06625	2.4
268.07455	38.1
269.07855	3.2
283.09854	89.1
284.10153	7.0
301.10751	4.7
443.19119	3.5
481.13724	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	481.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08635	0.7
51.35698	0.7
59.01389	1.6
61.98828	1.3
70.82429	1.8
71.01385	2.2
75.00863	3.0
83.01379	0.8
85.02975	0.7
89.02487	0.9
101.02441	1.8
102.05621	4.1
103.06457	0.8
120.76338	0.7
125.02456	3.5
128.03557	9.0
133.02943	0.8
133.06573	0.7
134.03754	4.2
135.04466	1.0
136.01680	12.8
137.02147	0.9
144.04584	1.6
146.04623	3.3
146.06157	2.2
149.06110	3.0
151.04039	10.5
161.02470	1.6
164.38104	0.9
166.45438	0.8
185.06107	2.0
188.07274	1.6
191.05583	1.1
195.04561	1.5
197.06111	1.0
213.05585	11.1
214.05563	0.7
223.03976	2.7
224.04878	2.0
240.04193	2.0
241.05084	61.2
242.05432	3.3
255.06668	2.1
256.07449	45.3
257.07733	2.7
271.09790	100.0
272.10159	6.2
319.12024	15.2
320.12390	1.5
352.10416	0.9
361.10330	0.9
391.11340	1.2
433.14886	1.3
481.14645	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66140	0.6
55.93102	0.7
57.03467	0.6
59.01390	9.6
61.98829	2.6
69.02368	6.1
71.01385	4.9
73.02942	1.3
75.00882	9.7
76.24151	0.7
84.78926	0.7
85.02969	1.8
87.00880	0.7
89.02444	4.4
101.02456	3.1
113.02455	2.6
119.03523	1.8
124.28434	0.7
125.02402	0.9
128.03537	1.2
135.03015	0.9
135.04524	1.4
136.01671	2.9
137.02502	0.8
139.00438	1.0
151.03990	2.5
161.02481	1.3
168.83727	0.8
179.05583	1.5
185.06013	1.6
195.04581	1.1
197.06052	0.8
201.97148	0.7
212.04713	1.1
213.05569	11.5
223.04039	3.0
224.04793	2.2
239.03664	0.8
240.04346	0.8
241.05095	63.5
242.05429	3.0
256.07440	47.8
257.07733	4.0
259.02533	1.9
266.38898	0.7
271.09787	100.0
272.10126	7.0
319.11816	13.1
383.91602	0.7
398.13239	0.8
411.46292	0.8
421.21069	1.5
481.09390	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	481.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01727	0.6
61.98842	0.7
65.03986	0.4
69.09492	3.2
69.09893	1.0
71.01395	2.8
73.02965	1.4
78.91911	1.3
83.05044	0.5
85.02968	0.5
89.02454	0.8
101.02505	1.6
113.02496	1.6
117.07139	1.8
119.03584	0.5
131.86549	0.5
158.21117	0.4
161.04616	0.5
166.97438	0.4
187.11331	1.3
217.12338	4.7
238.19008	0.4
255.03143	1.8
280.11615	0.4
283.02539	0.9
340.74796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00510	1.1
59.01387	100.0
69.79865	5.1
85.02928	1.5
89.03972	17.6
101.02416	1.3
152.99699	2.0
217.12373	11.4
235.13358	2.8
285.04022	1.8
286.04230	1.5
287.04697	1.5
315.53485	1.4
492.64960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30073	1.3
59.01384	100.0
61.98849	1.8
64.82226	1.2
65.03949	1.5
70.60287	1.6
70.60625	3.7
71.01367	4.4
73.02930	1.5
78.99439	1.3
83.05034	1.9
85.02949	2.8
85.10061	1.5
99.92547	1.5
113.02461	2.6
117.07131	11.1
158.91379	1.6
161.09724	2.6
217.12398	17.8
255.02957	7.9
283.02475	6.1
309.41348	1.5
319.36511	1.5
400.87152	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	481.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01921	1.6
57.03459	2.4
59.01385	83.6
60.01703	1.4
61.98828	4.8
63.74730	1.5
69.45315	8.4
71.01390	38.8
72.99323	5.4
73.02955	31.6
74.02480	1.7
75.00883	100.0
76.60950	1.4
83.01381	3.2
84.27821	1.5
85.02957	9.8
87.00896	3.6
89.02456	43.4
99.00903	2.6
101.02449	22.0
102.05639	4.4
105.29177	1.4
107.05059	1.8
113.02467	18.1
119.03517	25.9
119.05052	1.7
125.02416	1.7
128.03545	7.5
131.03503	2.8
134.03807	2.1
135.03023	4.0
135.04549	4.5
136.01692	7.6
138.63194	1.4
139.00450	2.6
141.64090	1.2
143.03534	5.7
146.04640	2.1
149.04698	1.5
149.06120	2.4
151.04030	7.0
160.05298	1.7
161.02490	4.0
161.04559	8.2
165.01979	2.7
167.10803	3.6
175.04001	1.5
175.07669	2.6
179.05627	13.7
191.05670	1.8
193.08635	1.7
201.05653	1.6
213.05530	7.7
214.02728	1.5
219.02986	2.0
224.04866	2.2
226.37161	1.7
241.05115	31.8
242.05371	2.7
256.07404	23.1
259.02576	7.2
271.09799	57.1
272.10147	3.1
313.08954	2.0
319.04675	1.7
319.11740	8.4
340.84860	1.5
421.20740	17.2
422.20917	1.7
467.80695	1.9
481.09100	12.9
481.13348	2.7
481.20145	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	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
57.03455	4.2
58.00589	3.4
59.01098	4.4
59.01384	75.0
61.98477	1.7
61.98833	9.7
68.04139	1.8
69.79594	8.4
71.01388	46.0
72.99307	3.2
73.02947	16.2
83.01399	10.5
85.02946	22.7
87.00899	4.0
87.04549	2.7
89.02462	25.1
95.01414	3.8
97.02975	2.3
98.22468	3.0
99.00916	4.7
101.02450	44.2
109.02971	7.4
111.00854	2.9
113.02456	19.0
115.04018	2.1
119.03492	3.9
123.34200	2.0
125.02469	4.8
131.03508	15.8
149.04529	7.2
153.01903	5.5
161.04556	9.7
191.05643	2.3
201.14836	2.0
233.06596	3.4
255.02994	3.2
283.02386	3.2
289.16592	38.3
293.30508	2.8
363.20361	3.9
421.20813	100.0
422.21024	8.9
439.21719	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26114	1.0
69.01128	9.4
78.95918	43.3
96.96983	3.5
98.21803	2.0
152.99614	55.3
171.00667	18.6
175.25960	1.2
227.03285	2.5
245.04341	100.0
246.04631	2.8
253.21750	57.6
254.22087	4.6
370.50583	1.1
384.14551	1.0
481.25742	27.6
482.25873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43591	0.8
69.11761	7.6
78.95910	39.3
96.96990	4.3
98.22475	1.7
109.25153	0.9
121.18124	0.9
152.99605	55.2
153.99957	1.3
166.48576	0.9
171.00679	16.8
199.09001	0.9
227.03232	1.8
245.04327	100.0
246.04698	2.4
253.21745	56.0
254.22073	3.6
255.02971	1.1
288.55774	0.8
359.87589	1.0
363.37372	1.1
380.80612	1.0
481.25699	30.8
482.26047	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	482.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38535	0.8
56.85413	0.7
57.03426	1.2
58.00596	1.2
59.01098	1.0
59.01388	24.8
61.98838	100.0
62.10810	0.9
69.30864	3.3
69.31278	2.5
71.01386	9.4
73.02957	10.8
73.51041	0.8
77.00457	0.9
83.01382	2.8
85.02943	2.9
89.02443	2.7
97.43728	0.9
101.02442	8.0
113.02475	5.8
119.03555	1.2
131.03461	1.1
140.23544	0.8
149.04559	1.8
154.08719	1.3
161.04535	2.3
198.03163	0.9
434.40039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98839	56.3
69.23066	75.3
69.23479	19.7
71.01382	32.9
73.02943	20.2
81.00999	10.6
82.95430	21.1
87.00903	13.0
87.77659	11.2
98.21783	25.4
101.02452	28.3
113.02496	22.8
118.26370	12.9
132.28682	13.3
136.62102	11.2
150.70940	11.1
284.03149	14.2
285.03882	20.4
305.53006	11.9
318.17557	11.6
327.01178	12.3
447.08667	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.98836	46.6
70.13532	19.4
70.13926	23.1
71.01407	21.7
73.02947	17.2
76.33941	10.9
82.95448	15.4
87.00883	45.9
89.02452	13.6
101.02424	22.9
261.14737	11.9
284.03159	14.5
285.04037	15.0
295.10483	11.7
419.63742	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	482.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75476	15.2
59.01381	100.0
61.98827	55.2
70.78341	21.6
70.78658	28.9
71.01386	53.7
77.36232	14.4
89.02443	23.3
113.02440	18.9
121.06638	26.9
145.31874	17.7
169.70154	14.3
186.56944	14.5
217.78995	15.6
246.81975	15.3
285.04193	32.8
338.63889	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54697	22.5
59.01371	100.0
59.81557	22.3
61.98828	58.1
69.56408	91.2
71.01401	39.0
98.22495	43.6
121.43295	22.7
285.03854	24.7
439.46030	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	25.4
69.19060	100.0
69.19473	82.7
69.21169	20.4
86.56624	22.2
109.00973	23.4
115.13500	23.9
126.98396	20.0
130.38661	22.1
135.68753	21.4
183.55800	23.0
215.60249	21.1
223.15724	23.8
277.21741	64.2
291.23376	28.5
399.56824	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49662	3.4
59.01371	6.7
59.46575	3.2
69.03833	33.6
71.01405	4.0
78.55605	3.3
80.61406	3.3
98.22519	7.9
101.02473	4.0
118.28278	2.9
161.04674	4.0
178.78355	3.5
206.85620	3.5
215.62134	3.1
256.03738	4.2
284.03299	55.8
285.04095	100.0
286.04410	8.1
447.09375	99.3
448.09686	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	483.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05889	3.1
59.01379	7.9
69.03809	30.0
71.01405	5.1
85.02966	3.3
99.41689	2.8
101.02475	4.8
104.95157	2.6
109.04607	3.5
113.02451	3.6
133.02971	3.4
167.70337	3.2
255.03058	7.0
256.03577	4.6
283.02621	5.7
284.03262	46.1
285.00876	4.9
285.04059	100.0
286.04446	11.4
447.09378	98.8
448.09695	6.6
456.98456	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	23.4
58.75715	2.8
59.01387	28.7
61.98838	8.3
68.11856	2.8
69.03464	3.7
69.09906	10.0
69.10319	18.2
71.01386	57.7
73.02959	100.0
74.02488	3.6
81.03461	67.3
83.01395	9.0
83.71818	2.7
85.02946	6.4
85.64826	2.9
89.02427	6.2
93.03456	40.3
95.05038	27.1
99.04528	22.6
101.02451	11.1
106.04253	3.8
107.05044	4.5
109.06611	3.5
111.04483	4.0
111.08209	4.8
113.02441	4.3
113.06113	15.0
117.01954	52.8
117.05554	3.2
121.06652	14.5
125.02469	80.7
128.03564	7.3
134.03757	5.1
135.29497	3.6
137.02463	99.2
137.06108	27.5
138.02821	4.6
142.05176	3.7
147.06621	4.2
149.06104	26.7
155.07196	16.5
157.05081	93.0
158.05443	5.9
165.05531	3.5
176.76143	3.0
181.05003	5.5
193.05116	19.3
196.56694	3.0
199.06166	73.0
211.06090	6.8
227.05754	5.6
243.05121	44.9
247.45296	3.1
255.05139	88.6
256.05420	3.5
322.12943	7.7
340.31934	3.3
358.87692	3.1
359.40570	3.2
483.28000	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	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55692	0.3
55.98777	0.2
59.00746	0.3
69.58223	1.2
78.95914	9.1
80.74456	0.3
96.96974	0.8
98.21825	0.4
128.87778	0.3
152.99615	15.3
171.00615	1.4
227.03278	2.5
245.04346	1.5
255.23325	100.0
256.23676	6.2
357.19382	0.3
428.11157	0.3
438.87363	0.3
483.27332	18.9
484.27594	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	484.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61728	6.0
58.69495	5.3
59.01383	100.0
61.98815	12.1
70.97674	12.1
71.01372	18.9
73.02927	8.9
87.00849	7.8
89.02431	9.0
92.90102	5.2
99.04459	6.0
101.02451	11.6
113.02469	12.9
119.03467	6.5
132.78809	5.0
142.57518	6.0
227.23926	5.3
433.20450	6.3
485.29077	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	484.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	60.8
61.98840	100.0
71.01396	43.3
73.02963	8.3
74.05054	5.5
85.02962	12.9
89.02433	27.6
91.68396	6.1
101.02449	28.3
113.02464	16.5
119.03492	15.6
162.37556	5.5
210.73456	5.5
217.02043	6.1
217.06873	8.7
257.94373	6.3
271.72562	6.2
285.04010	8.3
286.04272	6.8
353.93240	6.2
369.67441	6.9
404.21402	27.8
445.38943	7.0
485.15048	13.7
485.23853	38.9
485.31946	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	484.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.2
61.98837	100.0
69.04050	42.7
69.04444	8.1
71.01385	6.6
71.06944	5.6
87.00892	5.2
89.02431	8.3
95.63148	4.7
96.96028	6.6
98.99925	5.0
100.87786	5.0
101.02457	6.9
170.27574	4.7
188.76880	5.3
231.81288	5.0
289.91595	5.9
333.16443	4.8
447.09647	5.5
485.29181	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	484.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60090	13.7
59.01386	100.0
61.98833	34.7
71.01398	21.7
71.26180	21.9
89.02461	16.4
101.02468	22.0
105.69967	14.8
130.09879	12.7
280.11578	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	484.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.79105	3.8
71.01364	8.5
75.17329	3.0
87.33123	3.6
88.09663	3.4
89.02491	6.3
92.18147	3.0
98.22497	6.4
101.02463	6.4
113.02496	4.1
117.44953	3.7
121.03046	3.8
127.05321	3.5
134.13892	3.7
429.90414	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	484.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04933	5.3
58.25798	6.7
59.01388	100.0
61.98833	21.0
70.07858	18.9
71.01379	13.8
85.02966	10.8
89.02477	6.8
92.24866	6.9
101.02412	6.8
103.71475	6.0
116.02765	6.5
117.87759	5.7
118.51028	6.5
219.43710	7.0
282.37317	6.8
284.03320	7.8
285.03879	14.4
286.04022	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	484.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86823	3.8
58.93740	3.9
61.50797	3.9
62.10603	4.1
71.27440	3.3
72.00901	8.8
73.04071	12.0
74.02472	40.2
83.43401	3.4
86.02508	4.2
104.03529	26.7
130.08743	6.2
141.10352	4.2
143.11862	26.3
148.43108	3.5
155.11890	25.5
169.09821	10.1
187.10869	8.0
193.15898	4.4
200.14037	34.6
212.14056	20.9
218.85995	3.6
226.21767	47.8
230.14990	6.7
232.62738	4.7
266.21237	4.4
270.20856	5.1
283.23978	12.0
397.30615	10.5
422.33853	14.6
454.32880	66.3
455.33472	5.6
466.32999	4.5
484.33987	100.0
485.33749	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85575	0.4
59.01388	2.3
63.90260	0.5
64.06034	0.4
68.73387	0.4
71.01390	2.1
72.99299	0.5
78.95914	1.0
83.01391	0.5
89.02463	1.1
96.96025	9.9
96.96986	2.0
101.02456	1.2
101.06123	0.6
121.02953	1.0
123.04568	0.5
128.88181	0.5
129.05598	1.8
134.03757	36.8
135.04086	1.4
137.02455	5.3
139.04005	2.0
147.06633	2.1
149.06096	12.6
150.03198	0.6
154.99854	0.7
160.01608	0.5
175.04019	1.8
178.02733	25.9
179.03073	1.2
191.05663	1.1
193.05080	100.0
194.05434	4.3
223.05991	0.6
235.06207	0.6
253.06378	0.5
323.11670	2.3
355.10345	9.0
356.10574	0.8
467.15726	0.6
485.16364	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	485.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46977	1.6
55.01881	4.6
56.68818	1.7
59.01384	38.4
69.30292	7.0
69.30710	5.7
71.01393	24.0
83.01405	9.1
85.02967	4.4
89.02449	20.5
91.43398	1.6
99.92593	3.7
101.02453	31.8
113.02454	6.8
115.92099	4.9
116.77486	1.6
116.92828	1.7
119.03528	9.9
128.00481	1.7
145.06273	1.8
145.07689	3.2
160.06453	12.3
161.07224	67.4
162.07590	3.8
175.08777	26.4
179.05623	2.6
187.08847	4.7
189.06711	100.0
190.06949	3.8
201.10320	5.2
203.08302	26.0
203.11900	5.0
229.09831	13.2
262.96249	1.8
277.11832	2.1
287.10410	2.2
305.11481	37.0
323.12460	7.1
485.17847	74.0
486.18115	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	485.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.78297	3.9
67.43770	4.1
67.80361	5.3
69.43890	18.2
69.44301	7.8
71.01387	65.4
81.66202	3.5
83.01379	5.7
83.05034	3.6
85.02956	9.9
87.00894	4.1
89.02447	82.8
95.01376	4.9
95.75212	3.6
101.02450	29.0
113.02464	27.6
119.03496	30.1
131.03525	5.0
143.03490	5.0
149.04611	4.8
149.71017	4.5
150.28354	3.9
161.04562	13.9
179.05638	32.7
201.02477	6.2
253.99588	4.2
263.11298	6.2
425.11505	6.8
425.16498	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86294	2.7
53.07855	2.9
58.00584	3.1
59.01094	6.0
59.01382	100.0
61.98832	9.4
69.36475	18.7
71.01393	35.3
72.99310	3.9
73.02950	26.0
73.05373	3.8
83.01411	11.3
85.02959	11.4
87.00866	3.9
88.91550	3.2
89.02455	9.7
93.03461	9.6
95.01431	4.0
99.00818	3.7
99.04591	4.4
101.02453	27.6
106.87920	3.3
109.72720	3.4
113.02483	15.4
119.03535	3.4
123.98901	4.0
137.02412	4.5
161.04541	3.6
161.77092	4.3
177.05618	3.8
191.05644	5.3
199.89232	3.5
254.87283	3.2
263.16711	5.5
485.23956	9.3
486.24295	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	485.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73689	0.1
55.01870	0.4
56.98519	0.1
57.03444	0.3
58.00592	0.2
59.01385	8.5
69.03453	0.3
71.01390	5.6
71.28413	0.1
71.28770	0.2
72.99315	0.6
73.02952	1.0
77.93372	0.1
83.01395	0.6
83.05034	0.5
85.02959	1.3
87.00886	0.8
89.02459	4.7
90.40289	0.1
91.04032	0.3
95.01374	0.3
95.05079	0.2
97.02972	0.4
97.06610	0.1
99.00900	0.3
101.02457	5.5
101.03127	0.3
113.02460	2.4
114.92677	0.1
115.03976	0.1
119.03524	1.0
125.02419	0.3
129.02072	0.1
131.03520	0.2
133.05074	0.4
143.03519	0.3
149.04480	0.2
157.04980	0.2
161.04559	2.0
173.41905	0.2
177.16518	0.4
179.05602	0.6
195.37888	0.1
198.08415	0.1
205.19629	0.9
209.15619	0.1
222.74591	0.1
231.17604	0.8
235.08270	1.3
247.17062	0.4
249.18626	100.0
249.42976	0.1
250.18968	7.2
253.09312	14.5
254.09622	0.6
288.15298	0.2
353.95746	0.2
377.00574	0.1
441.30487	0.2
485.27811	0.2
485.32669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
57.63063	1.3
59.01389	2.2
97.06601	1.9
172.08514	1.2
193.15945	2.5
198.24921	1.5
220.14679	1.6
233.15491	6.1
285.03891	1.3
392.03308	1.3
409.79425	1.3
441.34052	4.2
467.31918	2.0
485.32925	100.0
486.33261	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	486.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
61.98825	2.3
71.01377	10.2
71.25828	1.9
71.26302	2.9
71.38152	2.1
73.02924	2.1
82.85040	1.7
85.02980	3.6
89.02470	3.3
93.26629	2.2
101.02461	4.2
112.49374	1.8
113.02437	2.1
130.08757	94.2
138.67334	1.7
147.43523	1.9
152.03305	1.7
164.45100	2.0
203.97243	1.7
252.09866	2.0
257.73248	1.8
486.27127	100.0
487.27530	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	487.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41951	1.1
55.69392	1.1
59.01383	18.2
63.02412	1.5
64.95023	1.2
71.01391	10.7
71.28099	1.2
73.02953	3.3
83.01411	2.3
85.02972	3.1
89.02454	3.6
92.52281	1.0
100.12096	1.1
101.02454	5.0
107.01399	3.0
109.02944	1.5
113.02458	3.5
113.53627	1.0
119.03525	1.5
131.03522	1.1
133.02936	1.3
147.04501	3.1
148.05339	7.3
151.00357	5.6
161.02435	3.1
161.04626	1.8
163.00362	1.0
163.06256	1.7
163.07687	4.4
169.63048	1.1
183.04514	3.1
193.01520	1.2
227.03574	2.9
239.03555	1.4
241.05136	1.7
255.03011	100.0
256.03397	6.6
268.03784	4.8
269.04462	2.3
281.04504	1.7
283.02515	59.4
284.03033	5.9
285.04120	3.5
296.03278	17.0
297.04025	9.3
299.05722	9.0
325.03513	12.1
367.04572	2.8
401.29935	1.2
427.06625	2.0
436.12457	1.2
487.08896	85.0
487.30905	2.0
488.09335	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	487.11
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97253	0.6
57.03453	1.2
59.01385	6.6
61.98845	0.7
65.00340	1.7
68.99821	1.6
69.03451	1.2
69.65334	2.0
71.01392	6.4
72.99311	0.9
73.02961	1.4
75.00888	3.2
83.01389	2.2
85.02954	5.4
87.00865	1.6
89.02440	3.3
91.01906	13.2
95.01416	2.1
99.00880	3.1
101.02467	2.5
108.02142	3.2
109.01677	0.9
109.02909	0.7
111.00890	2.8
113.02460	6.2
113.99601	7.8
115.00431	3.7
116.54140	0.6
117.03446	0.9
119.03554	1.1
119.05034	3.7
123.00938	1.0
123.04543	44.3
124.01670	1.8
124.04859	1.6
127.00379	1.2
127.05169	2.0
129.01968	1.7
131.03516	0.9
134.03755	5.3
139.00412	2.0
145.02992	4.2
149.06059	0.7
152.01189	4.0
157.01424	1.9
163.04039	4.0
167.03514	100.0
168.03860	3.5
174.01712	4.8
175.02496	1.2
175.04042	1.0
176.04744	1.0
177.02000	1.4
178.02559	0.6
192.34761	0.6
193.05051	5.4
201.33549	0.6
218.05873	0.6
220.03796	0.8
230.05859	1.3
233.08067	0.8
235.06184	4.4
240.13498	1.0
245.08104	1.2
258.14615	2.2
263.09229	1.0
270.39548	0.6
277.05634	13.2
289.07129	0.8
307.08203	1.6
311.09750	2.1
319.06638	0.7
337.07800	41.9
338.08228	3.0
469.23154	0.7
487.10907	51.5
488.11166	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	487.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31253	2.7
57.03439	6.3
59.01382	20.6
61.98809	8.7
69.03452	2.9
70.19292	3.8
70.19628	5.8
71.01390	26.1
72.99310	4.9
73.02933	5.7
75.00888	19.7
80.92622	2.5
82.95403	5.7
83.01364	5.4
85.02958	31.4
87.00849	7.3
89.02420	9.0
90.19724	2.8
91.01877	9.8
93.03438	4.8
95.01368	8.8
96.96027	3.4
99.00878	6.9
99.04525	3.4
100.98773	7.1
101.02455	6.4
105.03482	3.2
108.02166	6.9
109.02947	3.1
111.00888	12.4
113.02483	27.9
113.99545	5.0
115.00356	3.8
119.05028	37.9
121.02875	3.7
123.04544	47.9
129.01903	3.4
134.03767	19.1
135.04504	5.1
137.02444	3.2
148.05298	5.5
149.06071	20.8
152.01120	5.3
156.00648	4.0
159.04576	4.0
159.43575	2.6
161.04459	4.2
163.04027	32.0
163.07593	3.1
167.03522	85.6
174.01662	6.2
175.03957	3.3
176.04782	12.9
178.02658	4.5
188.04832	4.2
191.07062	11.4
193.04970	10.7
202.06177	3.2
205.04958	3.0
209.08185	3.0
219.55991	2.7
221.08270	14.1
230.05798	3.4
235.06163	30.1
236.06355	3.2
245.02911	4.4
245.08073	7.4
263.09137	9.2
277.05600	12.9
319.06631	3.3
324.04681	4.2
325.09143	8.0
326.08853	2.6
337.04065	4.9
337.07831	82.5
338.07922	5.4
415.12341	3.9
429.13724	2.7
487.10693	100.0
488.10849	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	487.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.0
71.01395	4.0
72.99314	3.3
73.02949	3.2
75.00882	31.6
76.01218	0.5
83.01388	0.9
85.02945	0.5
87.00861	0.8
89.02457	6.5
101.02462	2.5
111.23412	0.3
113.02448	1.0
114.04349	0.4
117.01952	2.1
119.03527	0.4
135.03017	100.0
136.03355	2.0
150.56731	0.4
161.04625	1.1
163.11360	0.4
179.10806	5.9
205.12344	2.4
438.37881	0.4
487.14462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31631	0.5
59.01381	2.4
61.98821	1.0
67.50710	0.6
71.01392	4.3
85.02945	0.8
87.00879	0.8
89.02459	1.6
93.03531	0.9
101.02469	2.6
102.05612	0.8
108.02148	0.7
111.00897	0.8
113.02465	0.8
115.00417	3.3
119.03548	0.6
119.05039	4.1
121.02968	0.8
123.04564	0.9
127.05141	0.7
128.03557	2.2
131.03534	9.6
133.01469	2.3
133.02975	2.1
134.03763	36.3
135.04512	1.1
137.02463	7.2
139.04031	2.2
145.02992	4.1
146.03737	1.9
147.04561	1.6
148.05310	0.7
149.04593	3.1
149.06102	14.2
150.03226	1.2
151.00386	0.7
159.04546	0.7
160.01653	0.8
163.04063	3.2
163.07669	1.4
164.04828	0.6
165.01955	0.6
165.05592	4.5
167.03479	1.4
173.04579	0.6
175.04041	1.3
176.04839	0.9
178.02742	29.8
179.03282	1.6
191.05608	0.8
191.07205	0.8
193.05087	100.0
194.05424	4.2
197.04536	0.9
207.08133	0.8
219.08246	1.1
220.03737	0.6
225.09227	0.8
233.08238	0.9
235.06027	5.3
236.08405	1.4
239.07069	0.7
245.08351	1.0
246.66582	0.6
247.07690	1.8
251.07109	0.8
253.08650	1.4
254.05783	0.9
254.09456	4.6
263.07147	3.7
264.07867	1.0
265.08823	3.4
275.07217	3.1
276.07886	1.5
277.08783	1.2
279.06906	0.8
281.08255	5.1
282.08948	6.6
291.06644	2.5
292.07513	3.5
293.08279	6.6
294.09027	14.2
295.09760	3.6
304.26791	0.7
307.08374	1.7
309.07742	17.6
310.08505	27.3
311.08905	2.4
325.10855	92.0
326.11185	7.8
355.10422	6.8
358.19882	0.7
456.14346	1.1
487.15222	12.3
487.23898	1.3
488.15524	1.9
495.56281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
58.00578	1.6
59.01384	100.0
61.98833	3.7
63.34058	1.5
71.01393	31.5
72.99326	1.9
73.02965	10.4
80.89742	1.6
83.01395	3.2
85.02960	9.3
87.00869	3.3
89.02455	31.0
95.01453	1.5
97.86651	1.5
99.00855	1.7
101.02451	26.0
103.04026	7.2
111.47562	1.4
113.02465	13.2
116.92876	4.0
119.03515	13.4
125.02477	2.6
131.03488	3.4
138.06912	2.0
145.05051	1.9
152.08423	3.8
153.09195	7.1
155.40065	1.7
161.04584	7.1
163.06160	16.6
169.47763	1.5
179.05618	9.8
179.07095	3.1
179.10838	1.7
205.12321	3.9
221.06679	6.5
223.13313	2.4
229.10013	2.2
248.51898	1.8
267.55209	1.7
361.20160	1.6
367.17609	6.3
427.19962	2.1
432.99677	1.7
434.22079	1.8
451.25504	7.0
478.98599	1.8
487.23718	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	487.1675
Annotation	blood group B trisaccharide
Peak:m/z	Relative Intensity
55.01876	1.3
56.99848	1.6
58.00605	3.4
59.01387	100.0
61.98838	8.7
68.99374	5.5
68.99800	8.9
70.49125	1.4
70.86687	1.3
71.01392	51.1
72.01718	1.5
72.99319	2.9
73.02959	16.2
74.55618	1.4
85.02961	12.2
85.04847	1.4
87.00876	3.2
89.02457	60.0
95.01439	3.6
99.00903	2.2
101.02456	34.9
101.12913	1.4
103.04021	15.0
107.03534	1.5
113.02467	14.7
115.92097	2.1
119.03525	23.5
125.02470	4.2
130.08771	2.1
131.03529	6.0
134.03702	2.0
143.03528	5.3
145.05057	4.2
153.01855	1.7
161.04575	7.5
163.06154	35.0
164.30186	1.3
179.05667	17.1
193.05115	3.2
221.06665	9.2
231.34698	1.4
246.55920	1.5
265.14587	1.8
351.59082	1.6
389.62912	1.5
487.23636	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58129	0.7
58.02971	1.0
59.01392	2.5
63.65745	0.7
69.36478	3.8
69.36887	1.0
71.01391	2.3
72.00924	0.8
74.02480	2.0
82.02991	1.0
84.04563	2.9
89.02448	2.6
93.62061	0.7
101.02476	1.9
101.07224	1.8
101.67802	0.7
102.05638	0.8
103.19132	0.9
107.02495	0.8
109.04074	5.3
119.03468	0.9
125.03590	3.7
127.05157	21.2
127.50526	0.8
128.03561	8.9
134.03696	1.4
145.06210	100.0
146.04628	2.5
146.06592	1.5
178.02809	1.3
179.05617	0.9
193.05022	2.0
195.28786	0.7
341.10928	4.8
495.11810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
64.96606	0.8
67.03058	0.8
69.05582	5.7
69.06001	2.5
71.01388	1.2
74.02495	1.1
82.03020	0.9
84.04584	3.8
85.02933	0.8
89.02477	2.9
99.05675	1.0
101.02486	2.2
101.07244	1.7
102.05634	2.7
109.04115	3.2
119.03491	0.9
122.88264	0.7
125.03590	3.5
127.05157	18.1
128.03557	9.2
137.57988	0.9
145.01494	1.6
145.06219	100.0
146.04646	7.4
146.06551	1.8
161.96806	0.8
341.11060	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76872	0.6
55.01884	3.2
57.03450	2.7
58.00614	1.5
59.01385	100.0
60.01718	0.8
63.25504	0.6
69.03462	3.6
71.01392	61.6
72.01756	1.0
72.99320	2.6
73.02953	13.6
75.00889	2.3
79.01912	0.6
81.03481	2.8
83.01403	8.9
85.02961	22.8
86.03352	0.7
87.00904	2.9
89.02458	27.4
95.01406	6.3
97.02963	3.1
99.00898	6.1
99.04504	0.7
101.02454	36.2
111.00896	1.3
111.04572	0.7
113.02467	45.0
114.02840	1.1
119.03515	9.8
119.04253	1.0
125.02458	11.2
126.02798	0.7
127.03986	0.6
131.03529	2.4
135.03029	5.0
141.94124	0.7
143.03510	6.5
149.04587	1.6
154.99869	0.7
155.03531	11.2
159.02997	1.1
161.04564	17.9
162.04852	0.6
179.05653	7.5
191.05676	0.9
203.05630	10.7
221.06700	1.0
255.03145	1.4
283.02576	1.5
307.19254	1.2
338.24173	0.8
352.34262	0.8
445.17139	14.3
445.22830	1.0
446.17596	1.3
487.18646	2.1
487.25470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	6.0
58.41074	0.7
59.01386	55.2
61.98827	3.3
69.03454	1.1
71.01387	5.3
72.99895	0.8
73.02947	2.6
75.00881	1.4
83.01385	1.4
83.99762	0.6
85.02958	1.9
87.00903	1.5
89.02455	3.0
95.05023	2.2
97.06602	1.3
99.00896	1.1
101.02480	3.6
109.06621	2.3
113.02473	2.6
113.99759	0.7
116.35727	0.8
119.03494	1.3
123.04554	5.3
123.08199	1.1
135.03008	3.5
135.08211	1.5
147.08167	2.6
149.09747	2.6
151.11275	2.5
153.09337	1.0
159.50887	0.7
161.04556	1.3
161.09727	2.4
163.11279	1.7
164.08449	1.1
177.12796	1.7
179.10794	100.0
180.11160	6.0
187.11287	2.8
189.09192	2.1
190.09842	0.7
203.10811	2.6
205.12349	41.6
206.12692	2.1
223.13405	6.1
255.02959	1.5
283.02420	0.8
383.17154	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3065
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
57.03452	2.4
59.01392	23.9
69.19727	13.0
69.20131	5.6
71.01392	2.8
74.78641	2.3
89.02455	4.6
101.02448	5.8
103.01415	2.0
112.37179	2.2
113.02485	2.6
123.87510	2.2
128.03532	2.1
135.03021	6.4
178.23395	2.5
179.10820	22.0
205.12331	9.9
487.30627	100.0
488.30942	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.307
Annotation	Nahocol C
Peak:m/z	Relative Intensity
50.15588	1.0
57.03429	4.3
61.13268	1.1
61.98820	2.7
69.94772	5.3
76.84461	1.2
96.95980	1.6
98.21724	1.3
145.56982	1.1
151.11298	1.3
152.91655	1.7
172.87962	1.3
195.52335	1.2
217.15971	12.3
218.16269	1.5
361.25122	1.9
377.28552	1.4
391.26395	4.3
393.27869	3.6
395.29590	6.1
396.29294	1.4
405.09894	1.2
407.29602	11.3
408.29398	1.5
421.27383	1.9
423.28873	4.0
429.29541	2.0
439.28555	47.4
440.28830	4.7
487.30432	100.0
488.03668	1.3
488.30841	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15458	0.8
57.03444	1.0
59.01387	5.1
69.47281	5.1
110.59372	0.8
239.24342	1.0
377.24799	1.5
383.33344	3.7
393.28055	3.6
399.36389	1.5
409.30972	5.8
410.24692	1.8
425.34662	7.9
427.32483	2.2
441.33878	1.1
443.35168	7.2
469.33249	3.3
487.34372	100.0
488.34650	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	487.3437
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
69.28815	40.5
92.88307	7.0
98.21865	12.2
101.38711	5.9
157.07068	5.7
343.52487	5.6
409.31140	12.2
425.34161	23.8
443.34988	6.0
449.15115	5.9
487.34326	100.0
488.34549	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3435
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
53.74235	0.5
58.77287	0.5
66.95927	0.5
68.67207	0.4
70.16605	1.6
77.80534	0.5
85.06613	1.0
97.06593	3.5
97.36797	0.5
125.65539	0.5
175.11327	0.9
177.12816	3.6
191.14429	7.0
193.15993	30.1
194.16350	1.2
203.14439	1.5
207.17570	1.1
219.17534	4.2
261.22235	1.3
382.15887	0.6
399.36221	0.7
409.31229	1.4
423.32916	0.6
425.34290	9.6
426.34753	1.0
443.35867	2.7
451.32364	1.0
469.33340	9.5
470.33661	1.4
487.34384	100.0
488.34738	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	487.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01902	0.4
59.01392	0.8
64.10611	0.4
69.79958	1.1
72.74226	0.4
72.99252	0.4
94.86787	0.4
97.06609	1.9
98.22547	0.5
107.90205	0.4
121.92426	0.3
129.17805	0.4
135.70850	0.4
137.09792	0.5
147.17018	0.4
159.32849	0.4
175.11407	0.5
177.12837	2.6
191.14467	5.0
193.15985	27.5
194.16328	1.6
201.10928	0.4
203.14377	1.8
205.15912	0.7
207.13966	0.9
207.17511	1.1
219.17558	4.1
409.31503	0.9
425.34338	8.6
426.34610	1.3
427.32425	0.6
443.35367	2.5
451.32428	0.7
469.33344	10.6
470.33658	1.8
487.34393	100.0
488.34705	12.6
512.57544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03048	0.2
57.03452	5.2
59.01389	4.7
69.12206	1.7
69.12624	0.5
72.42052	0.2
83.05040	0.2
95.05038	0.3
149.73901	0.2
189.13181	0.2
234.37346	0.2
348.94678	0.3
367.30347	0.3
373.27698	0.4
375.29126	0.8
377.24683	0.3
383.33066	1.6
393.28146	0.4
401.34344	0.9
409.31213	2.2
410.24396	0.3
425.34277	1.8
426.35373	0.2
427.32248	2.4
428.32831	0.3
443.35352	25.3
444.35709	2.6
469.33279	6.6
470.33679	0.8
487.34354	100.0
488.34698	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	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57399	0.3
55.84655	0.4
61.98836	100.0
65.52924	0.3
66.23552	0.3
69.02847	0.3
69.77003	1.5
71.01381	0.4
84.11539	0.3
113.08666	0.3
336.63995	0.4
466.01315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46736	11.0
56.51208	10.4
59.01381	57.9
61.98830	47.0
71.01387	49.9
73.02981	16.3
75.00878	19.6
79.83167	10.1
89.02449	34.1
94.08588	10.4
101.02467	14.5
113.02443	11.5
115.00406	16.1
115.92073	17.7
116.92843	15.2
118.98123	25.9
119.03537	11.1
130.08784	13.7
147.04570	24.3
161.02451	23.0
163.04097	10.7
165.05602	100.0
179.03564	15.4
186.12560	14.4
190.75955	13.1
194.05748	16.8
209.08234	85.8
217.72820	10.5
266.43790	10.1
321.91867	11.1
327.10980	18.5
360.36865	11.5
365.40948	11.1
386.58939	12.9
444.24481	14.9
488.26929	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	488.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46736	11.0
56.51208	10.4
59.01381	57.9
61.98830	47.0
71.01387	49.9
73.02981	16.3
75.00878	19.6
79.83167	10.1
89.02449	34.1
94.08588	10.4
101.02467	14.5
113.02443	11.5
115.00406	16.1
115.92073	17.7
116.92843	15.2
118.98123	25.9
119.03537	11.1
130.08784	13.7
147.04570	24.3
161.02451	23.0
163.04097	10.7
165.05602	100.0
179.03564	15.4
186.12560	14.4
190.75955	13.1
194.05748	16.8
209.08234	85.8
217.72820	10.5
266.43790	10.1
321.91867	11.1
327.10980	18.5
360.36865	11.5
365.40948	11.1
386.58939	12.9
444.24481	14.9
488.26929	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	489.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21362	0.2
58.62548	0.2
59.01395	1.7
63.02092	0.2
63.02392	2.5
65.00018	0.3
65.00324	1.7
69.26054	0.4
69.26467	1.2
83.01389	1.7
86.52688	0.2
91.66723	0.3
104.02683	0.2
105.03471	0.3
107.00747	0.3
107.01408	4.3
109.02963	0.9
121.02960	0.3
123.00876	0.3
132.02177	0.5
133.02977	5.8
134.03767	1.9
135.00899	0.3
148.01674	0.8
149.02448	1.6
149.99567	0.6
150.99190	0.4
151.00386	6.9
159.04579	0.2
163.00375	0.2
171.04596	0.3
174.03255	0.2
175.04036	2.0
177.01942	0.3
183.04532	0.7
187.03990	0.8
188.04662	0.3
195.04620	0.3
197.06032	0.3
198.03244	0.4
199.04077	2.1
200.04785	1.2
201.01944	0.7
211.04057	1.7
212.04709	0.6
213.01971	0.3
213.05547	0.5
214.02686	0.3
215.03502	0.4
217.05099	0.9
227.03546	2.8
228.04239	0.4
229.05025	0.4
239.03503	0.9
240.04077	0.2
241.05006	1.0
242.02196	0.2
243.03035	0.9
255.03061	1.7
256.03790	5.9
257.04340	0.5
267.03021	0.6
283.02576	1.4
284.03293	81.9
285.04053	100.0
286.04395	7.1
297.04044	0.4
327.05081	1.4
429.08417	0.4
447.09241	0.5
489.10440	85.6
490.10757	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	489.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05122	0.2
59.01382	1.2
63.02396	2.1
65.00321	1.5
69.57229	0.7
69.57641	0.4
71.24912	0.2
73.02974	0.2
83.01391	1.5
101.02486	0.3
106.78081	0.2
107.01399	3.7
109.02951	0.6
119.98414	0.2
121.02960	0.5
132.02171	0.5
133.02974	5.1
134.03802	1.7
135.00810	0.2
143.79483	0.2
148.01637	0.6
149.02455	1.4
149.99594	0.5
151.00383	5.9
171.04565	0.5
172.05241	0.3
175.04018	1.9
177.01939	0.6
179.03203	0.2
183.04523	0.8
185.06044	0.4
187.03987	0.7
188.04749	0.4
195.04439	0.4
198.03070	0.4
199.04013	2.4
200.04807	1.0
201.01936	0.7
210.20187	0.2
211.04004	1.9
212.04742	0.6
213.05560	0.4
214.02707	0.4
215.03461	0.2
217.04999	0.9
223.03874	0.2
226.02545	0.3
227.03508	2.9
228.04076	0.6
239.03494	0.9
241.04926	1.0
243.02942	0.6
243.85960	0.2
255.03062	1.6
256.03772	5.6
257.04413	0.5
267.02972	0.5
283.02332	0.9
284.03293	81.1
285.04056	100.0
286.04407	6.9
297.04022	0.6
299.05664	0.3
327.05139	1.2
447.09186	0.5
489.10437	88.2
490.10782	9.2
490.16562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.5
61.98815	0.6
63.02394	1.7
65.00327	1.6
66.81961	0.5
67.10847	0.5
69.03906	4.6
72.99292	0.5
73.02938	0.5
75.00877	0.6
83.01373	1.9
89.02412	0.7
91.48378	0.5
93.04403	0.4
107.01382	3.6
113.02421	0.6
121.02930	0.5
121.99831	0.4
133.02966	5.7
134.03783	1.5
146.40979	0.4
148.01711	0.5
149.02490	2.2
149.99538	0.5
151.00392	5.8
175.03967	2.1
183.04544	0.8
185.06171	0.6
187.04002	1.0
199.04037	3.0
200.04784	1.1
201.01953	0.8
211.04074	1.8
215.03542	0.5
217.05125	1.1
227.03543	3.1
228.04123	0.6
240.04193	0.5
241.05057	0.9
255.03015	1.7
256.03784	5.9
257.04367	0.6
269.04520	0.9
283.02539	1.5
284.03290	88.5
285.04059	100.0
286.04391	6.5
297.04205	1.3
327.05267	2.3
429.08347	12.2
430.08548	0.9
438.61038	0.5
447.09335	1.2
489.10443	98.4
490.10818	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	489.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	6.6
59.01378	23.3
59.80121	3.1
70.25995	9.7
71.01390	100.0
72.99313	32.3
73.06549	2.8
85.02965	12.4
87.00889	36.8
89.02441	16.6
93.03465	4.8
101.02491	9.2
101.06100	4.2
113.02455	6.1
115.00391	29.4
119.03527	3.8
119.05053	3.2
129.01955	50.4
142.08990	2.7
145.06154	4.8
146.04576	3.0
147.03014	99.1
147.04816	4.1
147.06645	27.6
152.01172	2.7
160.01794	2.7
161.04543	2.9
179.05635	5.6
191.05612	58.0
262.86871	2.9
282.20294	2.8
341.10950	28.5
489.14709	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72461	8.7
59.01389	96.5
61.59438	7.9
62.06719	8.0
64.43954	8.4
64.79885	8.3
70.88371	18.9
71.01379	47.4
75.00882	23.8
85.02938	28.2
85.06596	11.8
87.00913	10.8
89.02458	34.9
96.96008	9.6
101.02452	17.8
113.02477	21.0
116.22869	7.5
117.25215	8.5
118.98107	10.8
119.03506	21.1
119.05003	13.4
128.03578	13.4
133.02983	12.5
135.04555	56.3
143.07170	15.9
145.06601	14.3
152.91776	9.5
161.02432	21.7
161.04529	9.1
165.04068	64.4
165.05406	17.7
179.03500	43.5
191.05643	100.0
241.24245	9.1
281.13998	61.6
305.13785	10.6
309.06116	14.4
323.07562	9.5
429.21176	22.8
489.12683	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83422	6.8
59.01390	45.7
66.43587	7.2
78.95962	10.4
98.21813	21.4
110.95491	8.7
135.04553	8.8
152.09953	8.6
165.12851	15.9
284.03299	34.5
285.04062	44.7
291.19724	100.0
408.19980	9.3
489.10413	40.4
489.32648	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36489	5.0
53.86166	3.7
57.03461	5.9
59.01387	100.0
61.96148	3.9
63.45268	4.0
68.79551	4.6
71.01386	36.0
73.02939	10.5
83.01400	13.1
85.02960	18.6
89.02446	6.2
95.01411	6.2
97.03014	5.2
98.20225	4.6
101.02461	13.9
113.02435	26.3
133.02995	9.9
136.43665	4.2
161.04507	4.7
171.10303	10.2
223.17049	9.9
255.03011	6.0
256.03763	5.9
284.03287	80.1
285.04031	92.2
416.88483	6.0
445.24573	30.7
489.10083	72.1
489.26944	36.5
489.33627	10.3
490.10797	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17247	1.7
59.01385	100.0
71.01377	2.6
81.93494	1.8
85.02950	2.5
89.21986	1.8
90.13133	1.7
113.02468	4.1
114.46147	1.9
119.77263	1.5
142.87637	3.5
162.83907	3.9
173.48283	1.7
281.00586	2.0
284.03372	7.1
285.04068	10.8
353.65228	1.8
448.33572	2.4
489.10257	6.0
489.23203	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	489.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46854	0.6
52.83590	0.7
55.01874	1.6
57.03445	1.5
58.00587	2.3
59.01387	70.0
60.01712	1.1
63.02407	0.8
65.00337	0.7
67.11124	0.8
69.03475	0.9
71.01390	25.6
71.28607	1.1
72.99313	3.2
73.02966	3.6
75.00871	1.0
75.61947	0.6
79.77068	0.7
83.01382	3.6
85.02950	7.2
87.00895	1.8
89.02455	20.1
95.01382	1.5
99.00900	1.3
101.02454	15.1
107.01385	1.9
107.08673	1.8
113.02465	8.5
119.03513	7.7
119.08703	1.4
125.02474	1.1
125.09712	0.9
125.97322	0.8
127.11299	1.6
133.02974	3.0
135.04459	0.8
143.03493	1.0
149.02509	1.1
151.00371	3.4
151.90724	0.7
161.04601	1.4
165.09215	1.1
171.10286	9.4
175.04051	0.8
179.05724	1.0
185.11818	0.9
199.04140	1.2
201.11348	16.3
211.04037	1.0
227.03543	1.5
229.19612	1.2
255.02979	1.4
256.03802	3.5
261.18546	2.2
273.18622	5.5
283.02405	1.1
284.03290	39.1
285.04059	52.7
286.04419	3.9
291.19724	7.4
297.20709	1.2
309.20712	16.7
310.20990	1.4
327.05203	0.9
327.21866	4.3
429.25150	1.3
434.30032	0.8
447.26221	1.2
486.25055	0.8
489.10550	38.6
489.27097	100.0
490.10831	6.1
490.27350	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	489.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03454	1.0
57.69220	0.7
58.00600	2.6
59.01386	77.5
60.01704	0.8
61.98845	1.1
67.17891	0.6
67.56655	0.6
68.87766	0.7
69.03464	0.8
69.94807	0.7
71.01392	24.3
72.99311	3.3
73.02956	2.6
75.00877	0.8
82.97849	0.8
83.01402	2.6
85.02973	6.3
87.00897	2.1
89.02457	18.6
95.01398	2.3
101.02458	15.7
102.68176	0.7
104.10675	0.7
107.01415	1.7
107.08673	2.4
113.02481	7.4
113.45982	0.9
117.63852	1.0
119.03533	8.0
119.08663	2.2
125.09711	1.1
127.11311	2.2
131.03458	1.1
133.02960	1.1
134.03722	0.8
135.02975	0.8
143.03549	0.9
149.02336	0.9
151.00374	2.4
161.04570	0.7
165.09192	0.8
171.10283	10.3
172.10632	0.9
175.04062	0.8
185.11804	0.9
199.09590	0.8
201.11348	15.6
213.19737	0.7
217.05031	1.1
227.03439	0.9
229.19412	0.9
229.41379	0.9
256.03702	1.4
261.18704	0.9
273.18655	5.0
284.00763	0.6
284.03293	30.3
285.04068	39.3
286.04498	2.2
291.19724	7.7
297.20615	0.9
309.20718	17.5
310.21259	1.8
327.21722	4.0
429.25256	1.4
453.65829	0.8
471.25980	1.3
476.47906	0.8
489.10580	27.3
489.27100	100.0
490.10760	5.2
490.27423	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	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
58.00594	1.6
59.01387	44.0
63.27179	0.7
69.21935	4.1
71.01395	23.2
72.99319	1.5
73.02959	1.1
83.01411	1.4
85.02969	4.8
87.73157	0.5
89.02457	15.6
95.01390	2.1
97.06625	1.0
98.25586	0.5
100.85321	0.5
101.02461	11.3
105.79350	0.5
112.18126	0.5
113.02463	6.9
116.65905	0.5
119.03503	5.0
131.03568	0.6
135.08151	0.6
136.85385	0.6
163.11304	0.9
165.12888	1.9
171.10278	1.1
183.13943	0.6
193.15971	0.6
202.96832	0.5
209.11887	1.1
211.13388	2.0
221.11896	0.5
227.12854	0.5
229.14438	1.5
247.20761	1.7
273.18787	0.9
284.03241	1.3
285.04105	1.8
286.04309	0.7
291.19711	13.6
292.20053	1.2
309.20779	9.8
310.21118	0.7
314.68509	0.5
327.21884	3.2
328.22250	0.9
489.27121	100.0
490.27536	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	489.3228
Annotation	Homaline
Peak:m/z	Relative Intensity
56.39919	0.5
59.01394	5.5
70.62281	1.0
71.01357	0.6
71.04993	1.0
77.29459	0.5
83.04875	0.5
86.07902	0.6
97.06595	0.9
101.83287	0.5
137.09702	1.0
139.11441	0.5
165.12865	3.9
179.29034	0.6
183.13873	0.7
191.14388	1.1
205.16032	0.6
207.13826	2.0
209.11797	3.5
221.15332	1.5
233.15392	0.7
261.18616	24.4
262.18887	1.8
284.03186	2.0
285.04172	3.2
338.52420	0.6
363.44568	0.5
409.30942	2.2
410.31345	0.8
411.28775	0.8
427.32190	24.5
428.32281	2.3
429.29980	1.5
435.58081	0.6
471.31119	38.4
472.31470	4.9
486.59842	0.6
489.09818	2.0
489.32016	100.0
490.32394	13.1
504.64505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.323
Annotation	Homaline
Peak:m/z	Relative Intensity
59.01402	14.9
59.33360	2.2
61.98827	2.7
63.96227	5.5
65.93151	2.0
70.84631	5.8
72.58925	2.3
78.95908	9.9
80.96586	2.1
81.85311	2.4
83.86229	2.2
123.81068	2.4
152.99611	12.4
211.86024	2.7
261.18570	5.7
284.03381	5.6
285.04062	7.6
329.18008	7.3
346.18170	10.2
361.16898	37.2
427.32037	3.9
431.21899	5.1
445.33344	31.2
446.33624	5.4
489.10361	5.9
489.31573	100.0
490.32364	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	489.3228
Annotation	Homaline
Peak:m/z	Relative Intensity
69.72365	4.8
69.72775	6.5
76.19282	1.9
78.90157	2.5
106.10060	2.0
117.35905	2.3
175.80887	2.2
191.70709	2.2
195.33409	1.9
195.73880	2.0
285.04062	2.7
325.23550	2.2
383.97266	2.1
445.33371	34.4
446.33777	4.0
489.10831	3.8
489.32147	100.0
490.32538	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3592
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
50.16705	0.4
52.78385	0.4
54.10204	0.5
57.03468	0.5
58.00606	0.6
59.01382	1.7
59.10205	0.4
66.05687	0.5
70.57426	0.4
71.01397	1.1
75.00893	2.7
79.17226	0.4
100.29584	0.5
117.28976	0.5
137.09825	0.5
177.12894	2.2
191.14432	5.5
193.16000	27.0
194.16330	1.5
203.14494	1.0
207.13983	1.0
207.17636	1.6
208.14780	0.5
219.17561	3.8
261.18585	1.3
395.33640	0.6
407.33212	2.4
411.32892	1.8
413.34607	3.3
414.34647	0.7
417.30386	0.8
425.34549	1.8
427.36093	9.0
428.36887	0.6
441.33881	0.6
443.54486	0.7
445.37170	1.9
453.33890	2.3
471.35349	10.2
472.36090	1.1
489.36130	100.0
490.36404	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	489.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67066	1.0
59.01391	8.7
71.05047	1.3
71.28375	1.8
78.95891	1.7
119.53665	1.3
152.99565	2.1
155.89729	1.1
159.15526	1.3
163.11847	1.0
169.39433	1.1
177.12852	3.5
191.14470	3.2
193.15987	25.1
219.17499	2.4
284.03223	1.9
285.03915	2.5
316.47705	1.1
347.63327	1.3
383.33286	1.1
427.36362	6.9
428.36865	1.5
445.33365	1.7
453.34116	2.0
471.35098	14.8
472.35181	3.5
489.10486	2.3
489.36472	100.0
490.36609	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	489.359
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
50.04434	0.3
59.01370	1.0
59.98528	1.0
66.93279	0.3
69.02565	1.2
69.02986	2.3
78.95911	0.5
93.55498	0.3
107.88940	0.3
110.25681	0.4
111.08165	1.0
113.34129	0.3
152.99590	0.5
171.00612	0.4
183.13876	0.4
193.16052	0.9
245.19115	1.1
245.56572	0.3
285.04169	0.6
287.20316	1.0
296.52408	0.3
305.21204	1.6
312.43439	0.4
334.70358	0.3
341.02130	0.3
373.34860	1.0
379.63620	0.4
385.34857	5.7
386.35172	1.1
401.38007	0.9
417.33850	0.7
427.36145	0.9
445.37030	6.5
446.37338	0.6
461.32422	0.4
471.34854	1.4
489.35962	100.0
490.36267	14.1
507.37012	2.5
508.37445	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3592
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
54.77110	1.4
59.01385	4.0
70.62257	3.3
71.01389	4.6
96.93655	1.3
207.17529	2.0
221.19189	2.0
331.44717	1.3
359.34946	1.6
373.34943	2.7
398.75793	1.4
401.37900	1.8
427.36072	3.1
445.36914	14.2
446.36987	1.9
471.34995	3.8
489.36029	100.0
490.36551	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	490.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
58.00604	2.7
59.01389	100.0
60.01738	3.7
63.23512	2.3
71.01391	61.3
71.05018	3.2
72.43643	2.4
72.99324	3.4
73.02966	12.8
83.01411	8.9
85.02975	19.7
87.00878	2.8
89.02459	41.0
93.03459	2.3
97.02963	2.8
98.22652	3.4
99.00904	7.2
101.02458	38.3
113.02477	16.3
119.03491	4.6
125.02462	3.8
129.09187	3.0
131.03529	16.2
149.04570	11.2
159.03017	3.8
161.04613	18.2
191.05644	4.0
203.16898	2.3
229.46748	2.9
284.03262	7.3
285.03915	28.2
286.04343	28.2
293.03305	3.5
311.22308	13.8
315.18225	20.6
417.10959	4.0
445.10284	3.7
447.22449	93.3
448.22714	9.2
449.27710	2.6
490.10614	20.5
490.27274	12.1
491.15237	13.8
491.28757	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	490.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55081	3.4
59.01388	100.0
61.98832	31.0
69.21532	19.7
69.21938	6.9
71.01385	28.5
73.02956	9.1
75.00876	6.2
83.01454	5.2
85.02978	8.6
87.00891	10.9
89.02457	23.0
99.52412	3.4
101.02455	22.2
113.02452	18.8
119.03497	9.2
120.01258	8.3
123.51305	4.2
161.04607	12.0
176.74364	4.5
179.05699	9.6
191.05699	3.6
269.10617	4.1
284.41486	4.2
387.20276	7.7
409.17416	3.8
431.15497	12.6
431.22928	7.2
445.15213	3.8
493.12366	4.7
494.14816	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	490.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
63.96241	13.0
70.84088	2.7
70.84417	1.7
72.82006	1.8
78.95890	2.2
79.95757	4.8
91.05550	2.0
95.01415	2.0
103.61781	2.1
107.05056	2.1
116.86560	1.5
118.06672	3.4
119.05019	2.6
121.06609	2.7
135.04562	9.2
137.06084	4.0
143.09024	2.7
149.06073	2.2
164.03073	2.4
165.03711	1.7
188.39221	1.7
194.09711	3.1
329.17828	23.6
330.18533	7.6
344.16452	2.1
346.18164	27.5
347.18616	4.0
360.14417	8.4
361.16882	100.0
362.17154	10.7
438.28134	2.8
446.33670	10.9
490.10172	3.2
490.32352	28.4
491.33743	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	491.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64055	0.7
59.01373	1.6
61.17665	0.6
61.98813	0.9
63.02386	1.3
65.00336	0.8
70.72502	1.1
78.95896	2.7
83.01385	0.7
98.51748	0.6
105.03412	0.9
107.01387	2.5
115.93454	0.5
133.02979	6.3
135.23053	0.7
149.02431	0.8
151.00389	3.5
177.01964	2.3
182.03705	0.9
183.04538	2.8
184.42065	0.6
185.02438	0.7
192.04309	17.9
193.04793	1.1
199.03975	0.8
207.06630	11.5
211.03995	0.9
227.03551	2.9
255.03017	100.0
256.03717	22.4
283.02518	96.0
284.03250	48.8
285.03860	5.8
490.31519	0.7
491.10040	2.0
491.32031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17966	0.4
59.01372	1.9
63.02410	1.1
65.00342	1.0
67.12251	0.5
70.47236	1.3
83.01400	0.8
105.03442	0.5
107.01383	1.5
109.05724	0.5
132.02155	0.7
133.02985	4.6
143.05045	0.6
145.02995	0.6
147.00810	0.5
151.00389	4.0
155.05034	0.8
159.04576	0.5
161.97801	0.5
164.04712	0.6
169.02898	0.4
177.01927	2.4
182.03777	0.5
183.04558	2.6
185.02443	0.8
188.04778	0.4
192.02538	1.0
192.04298	19.6
193.04849	1.0
199.03978	0.8
207.06668	11.5
208.06990	0.5
211.03976	1.1
227.03548	2.4
255.03006	100.0
256.03668	22.2
257.04141	1.0
283.02505	95.4
284.03232	46.9
285.03879	5.3
359.05582	0.8
371.05579	0.8
372.06561	1.1
383.05365	0.5
387.05109	1.0
388.05957	1.4
400.05725	0.5
416.05472	3.6
444.04700	3.2
445.05194	0.9
459.07275	9.7
460.07605	1.2
491.09894	4.5
491.31857	0.5
492.10013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39065	1.2
59.01387	8.7
69.46188	7.5
71.01389	9.7
73.02948	7.8
75.00872	1.8
85.02963	2.7
87.00887	3.1
89.02461	27.7
98.21786	2.6
101.02461	3.4
103.04016	2.9
109.02975	3.1
113.02454	1.5
114.22296	1.2
119.03526	1.1
121.02930	1.3
122.03783	1.9
123.04572	2.0
131.03517	5.5
131.49301	1.1
135.04596	6.6
147.03021	1.7
149.04579	100.0
162.03271	3.5
164.04793	1.4
165.05531	7.3
165.90875	1.3
177.05580	9.7
191.05698	2.0
195.06616	1.6
221.04625	3.4
239.05591	6.3
369.64047	1.2
401.10965	7.5
491.14026	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	10.7
57.03459	2.7
59.01095	5.6
59.01385	100.0
61.27488	2.4
66.73963	3.1
70.42926	8.5
71.01401	25.9
72.99295	3.1
73.02950	10.3
74.24490	2.5
75.00879	4.1
83.01385	11.1
83.05035	8.1
85.02951	5.4
89.02455	12.5
95.01423	3.0
97.06586	4.0
99.00896	3.2
99.04530	4.8
100.87309	3.1
101.02442	13.5
102.00266	2.7
107.05038	2.5
113.02445	12.4
113.36787	2.6
119.03488	4.2
123.08205	4.5
125.06086	14.3
127.00381	4.3
131.03535	3.1
145.01530	2.8
154.99881	64.2
167.07205	4.2
179.05690	3.8
181.24390	2.9
185.08221	12.6
187.02469	11.3
187.03911	2.9
225.11270	8.1
241.14386	4.6
242.41721	3.4
243.12386	14.5
278.04959	3.0
285.13434	8.6
285.64755	2.8
303.14508	88.6
304.14774	6.0
431.22876	7.5
432.22330	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.2
58.00603	4.7
59.01386	100.0
61.98843	10.3
71.01390	63.4
71.26642	2.5
71.26974	1.7
72.99304	6.0
73.02959	6.5
75.00849	1.7
83.01384	5.0
84.95152	2.1
85.02960	14.1
87.00864	6.0
89.02457	71.0
95.01392	5.3
97.69956	1.8
101.02453	46.2
113.02464	24.6
119.03516	38.9
123.04556	5.9
125.02488	2.8
131.03493	3.5
134.03760	20.7
143.03534	5.2
149.04817	2.6
149.06093	22.8
152.04797	2.0
161.04599	8.9
167.03519	20.0
167.07109	2.4
179.05644	14.9
182.09145	1.9
191.03580	3.2
221.06664	2.0
329.08847	4.2
329.12433	42.1
330.12924	3.2
425.18414	2.0
442.57901	1.7
448.72488	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	491.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61727	2.2
59.01096	4.8
59.01389	85.4
61.98838	5.7
67.70558	2.2
69.21246	5.1
69.21661	14.6
71.01378	16.3
72.99305	3.8
73.02969	6.0
85.02970	5.6
85.52669	2.1
85.83411	2.5
86.35680	2.2
87.00874	2.8
89.02467	17.7
101.02464	10.1
109.02980	2.4
113.02470	9.4
116.92864	4.9
119.03509	5.5
129.10445	2.7
135.04449	3.1
139.11319	16.0
151.00397	2.9
161.04532	3.4
169.57848	2.5
181.12439	13.7
183.10278	23.8
199.13379	4.5
207.13956	6.5
225.11357	4.9
225.68983	2.8
243.12383	100.0
244.12706	3.8
284.03326	8.1
285.03833	15.9
285.13513	4.7
286.04037	17.7
287.04831	13.2
329.10486	3.3
337.02948	2.7
394.39044	2.6
411.20569	2.5
447.18469	3.5
491.10974	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	491.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
56.92241	1.9
57.03450	3.2
58.38603	1.8
59.01383	100.0
61.98833	28.9
67.23558	2.0
69.11104	4.0
69.11519	12.1
71.01388	67.4
72.99311	5.6
73.02950	11.6
83.01389	10.4
85.02950	21.3
87.00875	11.7
89.02455	63.2
95.01394	6.0
98.15889	1.8
99.00928	4.1
101.02449	41.2
107.05010	2.3
111.00883	3.3
113.02466	30.3
116.24753	1.8
119.03512	27.1
131.03511	9.9
134.03775	9.9
140.74451	2.1
140.78604	1.9
143.03535	5.6
149.04596	4.4
149.06084	14.6
152.04834	3.2
159.03015	2.4
161.04578	18.9
167.07169	4.5
179.05609	23.2
191.05531	2.5
221.06693	26.1
251.12746	2.0
263.07706	7.8
268.14172	1.8
281.86200	1.9
329.12500	22.2
330.12735	2.6
387.20297	3.0
491.17813	34.1
492.17944	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03465	3.8
59.01384	100.0
61.76349	2.2
61.98840	2.4
63.65457	2.1
69.03471	2.4
69.88097	6.1
71.01035	3.5
71.01395	49.9
72.99315	3.1
73.02952	17.2
83.01405	6.7
85.02955	11.7
87.00864	4.4
89.02454	14.9
95.01423	3.1
97.88688	2.0
100.14976	2.3
101.02454	23.7
111.00883	3.1
113.02467	9.3
119.03538	2.4
125.02466	2.5
131.03502	5.1
149.04555	3.9
161.04543	4.7
171.10307	3.7
171.31612	2.4
187.25333	2.2
191.05603	5.2
275.83063	2.3
285.03949	3.4
286.04419	2.4
287.22293	3.2
311.22458	2.9
329.23386	8.2
431.26483	4.8
447.22293	14.6
448.22595	3.6
449.27747	4.5
491.19342	4.7
491.20718	3.5
491.28543	58.7
492.29153	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98827	16.0
65.07499	3.4
65.54170	3.3
71.01391	31.5
73.02955	12.2
75.00877	51.0
76.54004	4.1
83.01397	6.8
85.02945	6.1
88.98827	4.0
89.02462	22.4
101.02469	24.1
113.02436	12.2
117.39063	4.1
119.03556	4.7
124.15384	4.1
128.03568	6.3
161.04570	8.4
179.05621	8.7
181.29727	4.4
190.51413	4.0
196.96135	21.9
226.97177	10.7
229.27122	4.5
241.99579	23.4
288.93631	4.3
311.09329	5.8
311.81094	3.8
348.98117	3.7
431.22385	6.5
466.70010	4.0
471.27539	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06053	2.2
59.01387	100.0
71.01388	49.1
72.99330	3.9
73.02953	23.5
73.54324	2.4
83.01389	5.6
85.02979	11.6
87.00891	4.8
89.02470	21.8
95.01398	2.9
101.02448	25.9
101.92824	2.4
113.02460	26.4
119.03510	8.2
157.03076	2.2
161.04530	6.5
163.05734	2.4
163.11290	3.2
179.05652	2.3
220.77997	2.3
243.07213	3.0
243.16090	3.2
335.44986	2.9
387.20230	50.4
388.20581	6.9
405.21335	16.6
432.09613	2.9
434.48065	2.7
447.22473	9.2
448.95016	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	491.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65681	2.6
52.36744	2.6
56.66192	2.7
57.03452	4.2
59.01385	100.0
61.98827	5.3
71.01394	28.0
73.02953	15.0
74.73881	2.6
83.01405	5.2
85.02968	4.1
89.02427	16.1
91.99035	2.8
101.02470	21.0
113.02458	13.9
119.03487	4.7
139.65883	2.7
143.03531	4.2
149.04610	3.8
161.04536	8.0
162.28571	3.0
167.03532	3.9
191.05739	3.0
200.66525	3.0
240.74911	2.8
241.62308	2.8
303.40109	2.9
323.17468	3.1
431.22873	4.9
441.75961	2.9
491.66922	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	491.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65720	13.6
59.01377	39.3
62.10791	13.0
69.40185	90.9
80.62090	13.5
91.04176	13.5
93.03467	18.8
98.22529	17.1
111.99542	13.8
116.92872	26.7
153.07286	16.5
173.04637	24.4
255.03059	41.1
283.02551	34.4
293.21231	100.0
327.75037	17.5
386.27563	13.5
387.25735	15.0
401.84381	14.1
482.13971	13.9
491.30197	54.7
491.37509	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03415	1.1
58.00600	2.0
59.01385	100.0
60.01700	0.9
61.98823	3.2
62.48938	0.8
71.01393	24.2
71.27129	1.9
72.99306	3.4
73.02958	7.3
75.00864	1.3
78.50459	0.8
83.01426	4.3
85.02965	7.4
87.00900	5.6
88.98810	3.9
89.02452	23.3
93.03453	1.0
95.01407	1.8
97.02975	1.8
99.00877	1.8
101.02450	14.8
111.00926	1.5
113.02456	11.5
119.03515	9.3
121.02987	1.9
125.02410	1.3
129.01947	1.8
133.02959	2.6
134.03746	1.3
143.03531	3.0
145.01413	1.1
147.02975	1.0
149.02460	13.8
149.04384	0.9
150.03242	5.2
154.99886	1.9
161.04553	5.2
164.04807	3.1
167.07120	1.5
179.05666	8.7
191.05360	1.0
303.14551	4.6
304.14960	1.1
314.11673	2.6
329.14005	6.6
361.06927	1.0
387.20203	1.7
431.22839	3.1
439.36383	0.9
449.23734	1.3
491.19370	24.6
492.19781	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	491.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	1.0
61.98820	1.0
69.03467	0.9
71.01395	11.0
71.27895	1.5
72.99335	1.2
73.02956	3.0
75.00872	1.4
83.01416	2.4
85.02959	4.2
87.00899	2.1
89.02461	5.3
96.96014	0.8
99.00921	1.2
101.02465	6.7
105.01953	1.2
111.00932	1.2
113.02468	5.9
131.03471	1.1
139.11348	0.9
158.39227	1.0
160.76340	0.8
161.04599	1.6
169.74777	0.8
171.10307	1.9
180.06660	1.2
183.13904	2.1
191.05696	1.1
211.13461	1.4
263.07986	0.9
264.09216	1.2
272.44705	0.9
283.02731	1.0
285.03857	0.9
287.22418	1.6
293.08890	1.4
311.22217	2.9
329.23349	11.4
351.75562	0.9
359.14630	1.3
415.14917	2.6
431.26471	2.8
449.27658	3.6
491.11371	2.0
491.17715	1.2
491.21292	1.7
491.28583	27.7
492.29126	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.267
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.64966	5.7
61.98819	9.5
67.06011	5.9
71.26897	9.1
71.27265	7.9
115.08813	16.6
125.16230	6.9
146.06088	9.8
153.55748	6.6
160.74315	6.9
175.17720	7.2
326.18829	7.7
390.87277	7.3
468.93283	7.0
491.26657	100.0
492.26996	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2869
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01853	0.5
57.03444	0.5
57.99265	0.4
58.00584	1.3
59.01385	33.2
69.00700	2.9
69.01121	0.8
71.01389	14.8
72.99319	1.6
73.02956	2.1
78.30587	0.4
83.01389	1.4
85.02966	5.5
86.47989	0.5
87.00882	1.2
89.02454	10.5
95.01411	0.8
99.00907	0.6
99.08128	0.6
101.01823	0.7
101.02462	8.5
113.02463	4.4
119.03526	2.5
145.65157	0.4
163.11331	1.0
167.10783	0.6
171.10306	1.1
183.13901	0.9
193.12346	0.6
211.13423	5.7
229.14444	4.4
287.22333	0.7
293.21277	9.5
311.22333	5.0
312.22662	0.6
329.23370	7.4
431.26782	0.7
449.27484	0.9
473.27515	0.9
491.28677	100.0
492.29028	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	491.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03439	2.7
58.00605	0.8
59.01092	1.0
59.01382	17.9
68.55092	0.5
69.39992	3.8
71.01387	11.3
72.01737	0.7
72.99285	1.3
73.02940	2.3
80.90627	0.6
83.01392	1.7
85.02970	7.4
87.00896	1.2
89.02457	3.2
94.11762	0.6
95.01379	1.7
96.01712	0.6
96.68727	0.5
98.21851	1.2
99.00906	1.5
99.08177	1.5
101.02458	5.8
102.02813	0.7
111.00925	0.8
113.02451	6.2
114.02795	1.6
115.02870	0.9
119.03480	0.9
125.09735	0.9
127.11314	2.5
129.01875	1.0
139.11330	1.6
151.00462	0.7
155.14456	1.9
161.04565	0.8
163.11333	1.0
165.12880	1.0
167.14445	1.4
171.10281	7.3
183.13945	2.3
191.05586	0.9
199.13464	0.7
209.11873	1.6
211.13419	14.3
212.13744	1.3
229.14471	38.7
230.14801	2.1
285.04132	0.9
287.22360	2.4
293.21262	4.7
311.22348	5.0
313.23810	2.7
329.23367	18.4
330.23749	1.1
347.30688	1.4
391.19714	4.2
431.26437	2.0
449.27429	3.3
473.27963	0.9
491.28671	100.0
491.34262	3.7
492.22107	0.6
492.29019	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	2.1
59.01385	32.6
66.57969	1.9
69.56491	10.1
71.01392	30.9
72.94487	1.6
73.02941	2.4
73.82508	1.5
85.02937	1.7
89.02465	19.7
101.02458	5.2
108.16848	1.8
113.02473	3.8
126.10220	1.5
171.10214	1.8
183.13936	2.9
191.05624	2.2
211.13435	15.1
229.14417	4.6
293.21246	5.6
295.04449	1.8
311.22366	6.5
329.23373	36.3
330.23660	2.9
411.45230	1.9
466.22470	2.3
469.61676	1.8
491.28662	100.0
492.28885	11.4
512.38251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.302
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
55.01869	2.5
57.03417	1.1
59.01384	17.5
61.98832	1.6
63.81364	0.9
69.02165	1.0
69.28783	0.9
69.29084	7.5
71.01365	2.3
72.88454	1.0
73.02933	4.0
73.44122	1.1
77.16591	1.4
92.92815	1.6
98.21813	1.5
99.00893	99.3
100.01202	1.1
116.92822	1.4
117.01981	5.2
129.29639	1.0
141.42694	1.0
160.46416	1.0
176.29015	1.0
196.09828	1.2
313.25244	3.8
369.27975	9.3
373.27502	35.8
374.27673	4.5
411.28952	1.6
417.26422	2.8
429.29932	7.1
430.30161	1.5
441.52896	1.1
473.29083	35.4
474.29471	3.2
491.30026	100.0
492.30304	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	491.3388
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
50.47921	0.5
59.01374	2.6
62.47636	0.6
65.55936	0.6
66.25864	0.5
69.52290	3.9
71.01366	1.7
78.95911	6.0
83.05003	1.0
98.22520	0.7
98.53086	0.6
111.08126	0.9
112.14391	0.6
132.84285	0.6
152.99606	9.4
217.54967	0.5
231.82253	0.6
369.31583	0.8
387.32706	6.2
419.31665	2.5
429.33640	5.8
430.34018	1.2
431.31644	0.9
433.23419	1.4
433.98236	0.6
447.34821	33.8
448.35269	3.9
476.89923	0.8
491.33783	100.0
492.34119	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	491.3386
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
56.20073	0.7
59.01391	9.5
70.90521	1.6
71.05026	4.1
83.55418	0.6
87.52277	0.7
91.32251	0.8
93.75445	0.8
152.99532	1.0
190.69907	0.9
385.31268	0.8
387.32785	5.2
401.30643	2.8
429.33768	28.6
430.34125	4.1
433.29562	1.9
447.34756	2.2
473.32578	2.5
474.31482	0.8
491.33737	100.0
492.34018	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	492.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16199	0.4
55.49015	0.5
59.01386	5.9
60.01744	0.5
61.98838	100.0
71.01395	3.0
71.26679	0.7
73.02948	0.7
85.02953	0.9
89.02461	3.2
98.02558	0.9
101.02493	1.2
110.02540	0.8
113.02493	1.2
119.03567	1.0
121.08197	0.5
124.96877	0.5
130.08778	2.0
133.06615	1.0
150.05659	3.2
161.04646	0.6
179.05630	1.0
203.05008	1.1
261.35608	0.5
267.09863	2.9
311.12756	1.1
356.96713	0.5
431.16202	1.1
439.12387	0.7
475.19241	1.1
492.17203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1149
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.42612	2.0
55.30825	2.0
65.68367	2.2
70.39868	3.0
70.40200	4.6
90.12317	2.2
100.04710	2.6
107.01398	5.4
119.71060	2.1
133.02960	14.6
151.00381	9.6
175.04015	5.1
199.04028	3.6
255.03093	29.0
256.03815	33.0
257.04150	3.2
283.02539	47.0
284.03290	80.5
284.79782	2.4
285.04080	100.0
286.04416	7.8
384.40964	2.3
394.45773	2.4
493.11563	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	493.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.5
57.03957	3.4
59.01390	53.4
61.98829	6.1
69.16939	15.5
69.17364	15.9
71.01399	98.2
72.99323	7.6
73.02966	14.8
82.32201	4.1
83.01393	8.0
85.02969	30.3
87.00894	13.9
89.02454	42.1
97.02992	8.7
99.00896	9.1
101.02477	63.1
110.00153	6.9
111.00904	11.3
113.02481	50.1
119.03512	16.1
125.02466	14.4
131.03513	7.9
133.53134	3.7
137.99609	8.0
139.00417	74.0
143.03543	10.4
153.01976	98.3
154.02756	68.0
155.03160	3.6
159.02971	7.8
161.04636	43.4
162.83871	5.2
167.03517	13.8
168.04327	58.6
169.05099	80.4
179.05699	4.0
180.71259	3.8
206.67386	4.6
221.06711	13.3
323.09985	5.8
331.10410	100.0
493.15842	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98829	14.4
68.20561	3.6
71.01394	25.2
71.28017	5.7
73.02928	8.8
78.08225	4.2
85.02958	12.7
87.00880	4.7
89.02444	6.9
98.38729	4.3
101.02465	21.7
110.15064	4.3
113.02476	10.2
124.69911	4.4
161.04530	9.7
191.05573	9.1
223.50471	4.2
225.35190	4.9
234.47281	4.6
247.96771	4.7
248.09003	4.6
286.03915	7.4
287.04449	9.1
288.04611	12.7
289.05148	4.8
289.16400	5.1
291.53638	4.1
353.19849	5.3
371.20786	12.4
413.21878	10.5
451.21777	15.7
451.28598	4.3
493.11600	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	493.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49746	1.2
57.03431	1.6
59.01384	100.0
65.63905	1.0
65.69954	1.1
66.04890	1.0
70.21294	3.8
71.01395	8.9
72.99289	2.0
73.02949	1.6
75.00854	3.3
85.02938	2.9
88.47918	1.4
89.02460	6.2
99.04517	2.0
101.02470	5.6
105.01936	13.2
113.02444	4.9
119.03471	3.1
120.10393	1.2
127.01782	1.1
135.03030	7.0
161.04559	2.4
165.12834	2.1
207.13861	3.3
209.11832	12.3
225.14990	9.4
227.12898	49.4
228.13306	2.7
240.97600	1.3
269.13953	14.1
279.27316	1.4
287.15027	63.2
288.15320	3.8
291.91592	1.2
309.07190	1.1
333.85663	1.2
357.15637	3.2
375.16589	38.8
376.16901	4.8
387.16498	1.8
388.62540	1.2
405.17590	16.4
433.24435	8.2
475.18091	3.5
493.19278	49.1
494.19708	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	493.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38848	1.0
55.01887	1.8
55.21626	1.1
57.03455	1.5
57.75863	1.1
59.01383	34.1
61.98836	100.0
71.01389	12.5
72.99316	1.7
73.02960	2.3
75.00874	1.3
76.10413	1.2
79.12030	1.0
85.02979	2.7
87.00890	1.6
89.02451	13.0
101.02452	6.6
113.02434	3.2
119.03521	4.6
154.99884	3.9
161.04546	2.1
176.74153	1.0
179.05618	2.5
208.36572	1.1
228.85942	1.5
268.03833	11.0
269.04553	3.3
287.15106	3.2
408.41458	1.2
413.21884	1.3
431.09827	14.3
433.24579	2.9
490.90158	1.1
493.11508	2.6
493.20844	1.3
518.72650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28931	1.1
55.01871	1.5
57.03444	2.4
58.00603	3.1
58.56032	1.0
59.01385	100.0
60.01690	1.6
61.98823	3.6
71.01392	60.1
71.27071	2.2
72.01703	1.3
72.18865	1.1
72.99325	4.4
73.02959	7.7
75.00876	3.1
83.01406	4.0
85.02967	13.4
87.00895	26.8
89.02455	61.9
95.01414	4.9
99.00874	1.7
99.06356	1.1
101.02450	40.4
103.00408	2.3
110.02467	1.1
113.02468	24.5
118.13771	1.1
119.03518	32.6
122.06129	2.2
129.01915	2.5
131.03517	3.6
131.16216	1.1
133.02969	3.7
135.03020	2.3
135.04552	5.1
135.98470	1.2
136.07684	4.4
137.06143	5.6
138.05617	5.4
143.03514	6.3
149.04570	3.8
161.04607	7.2
164.03444	1.6
177.01959	3.7
179.03506	5.4
179.05614	11.6
180.06683	10.8
257.13080	3.3
258.11429	1.7
283.10910	4.5
301.11945	6.8
313.12051	1.0
331.17902	2.2
345.15411	2.2
375.20245	2.2
433.24475	6.8
493.23355	19.3
494.23773	2.6
500.76434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28931	1.1
55.01871	1.5
57.03444	2.4
58.00603	3.1
58.56032	1.0
59.01385	100.0
60.01690	1.6
61.98823	3.6
71.01392	60.1
71.27071	2.2
72.01703	1.3
72.18865	1.1
72.99325	4.4
73.02959	7.7
75.00876	3.1
83.01406	4.0
85.02967	13.4
87.00895	26.8
89.02455	61.9
95.01414	4.9
99.00874	1.7
99.06356	1.1
101.02450	40.4
103.00408	2.3
110.02467	1.1
113.02468	24.5
118.13771	1.1
119.03518	32.6
122.06129	2.2
129.01915	2.5
131.03517	3.6
131.16216	1.1
133.02969	3.7
135.03020	2.3
135.04552	5.1
135.98470	1.2
136.07684	4.4
137.06143	5.6
138.05617	5.4
143.03514	6.3
149.04570	3.8
161.04607	7.2
164.03444	1.6
177.01959	3.7
179.03506	5.4
179.05614	11.6
180.06683	10.8
257.13080	3.3
258.11429	1.7
283.10910	4.5
301.11945	6.8
313.12051	1.0
331.17902	2.2
345.15411	2.2
375.20245	2.2
433.24475	6.8
493.23355	19.3
494.23773	2.6
500.76434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84745	3.0
55.01875	4.5
55.36870	2.9
57.03416	3.3
59.01385	100.0
59.90736	2.9
61.98829	9.7
69.17185	16.7
69.17607	11.9
71.01389	42.2
72.08441	3.3
73.02943	9.4
73.51716	3.1
83.01379	3.7
85.02979	16.1
87.00883	3.2
87.04526	4.0
89.02465	32.5
98.22630	3.5
99.80409	3.7
101.02445	25.6
113.02473	22.2
119.03487	17.8
125.09753	5.7
131.03539	3.5
136.55365	3.3
147.08742	3.3
154.99884	4.6
161.03407	3.1
161.04562	17.7
173.11876	5.1
179.05693	15.9
187.09795	9.5
194.12622	3.1
227.12924	8.9
240.62782	3.7
243.12399	4.5
257.74033	3.2
269.14008	3.5
271.19220	7.7
282.93884	3.2
287.15063	12.4
375.16516	8.6
433.24316	31.5
493.19125	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61895	1.4
59.01385	100.0
61.98811	1.9
69.10739	13.3
69.87170	1.3
71.01395	45.3
72.99313	3.4
73.02950	13.4
83.01405	4.3
85.02956	14.8
87.00897	5.8
87.04530	3.3
89.02457	34.4
89.65186	1.8
95.01404	3.5
96.23537	1.3
97.02971	1.6
99.00886	3.3
101.02454	23.5
101.46725	1.6
113.02457	16.9
119.03515	15.2
122.06160	2.5
125.02451	1.6
131.03554	2.7
143.03529	3.7
149.04561	3.0
159.03090	2.6
161.04567	10.9
165.09488	1.6
179.05626	10.6
208.07428	1.9
221.06718	3.1
271.19162	2.4
280.05399	1.5
289.20187	4.9
433.24454	67.1
433.30392	3.5
434.24814	7.3
444.30798	1.8
451.25528	12.4
493.23578	3.4
494.18021	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	493.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
64.20908	40.2
70.60875	100.0
73.27124	36.1
79.16049	39.1
83.44844	37.5
83.48237	38.2
119.41610	52.1
457.36954	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43080	21.5
64.23135	23.6
70.15511	28.1
70.15857	100.0
80.21268	24.6
98.21867	28.6
127.06829	22.3
138.36620	25.3
163.29083	24.6
222.19618	23.7
251.33296	25.3
275.37784	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.16808	41.6
69.17231	27.3
71.40099	10.7
94.93899	7.8
119.14088	8.3
125.44987	9.2
149.02917	9.2
167.87875	9.4
171.93330	7.7
193.38879	7.9
221.19527	9.7
265.50198	8.7
266.22510	9.7
423.33023	13.9
439.35626	17.4
457.36957	100.0
458.37338	16.7
468.64798	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	494.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30842	0.7
57.80066	0.7
59.01384	9.5
61.98837	100.0
68.97849	7.8
71.01384	3.7
89.02459	3.8
98.21767	1.0
101.02487	2.3
108.04549	1.8
113.02468	1.5
113.19141	0.8
136.07744	3.3
162.05608	1.4
263.56262	0.7
268.03821	10.4
269.04468	4.0
271.10910	23.6
286.22571	0.8
324.30127	0.8
413.46695	0.8
431.09930	12.8
431.15616	1.0
433.15967	0.8
450.32910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25005	0.4
59.01358	0.6
61.98838	100.0
62.52676	0.4
69.11729	3.3
71.01375	0.4
75.47713	0.5
87.00905	0.7
89.02444	0.9
101.02449	0.5
105.13938	0.4
106.35642	0.4
134.19371	0.4
255.72525	0.5
409.72983	0.5
449.00021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61923	0.6
59.01383	8.2
61.98814	1.5
71.01395	3.3
73.02932	1.2
81.03471	3.3
83.05036	6.9
85.02989	1.1
89.02438	1.5
89.11772	0.7
101.02466	2.5
108.07099	0.8
113.02451	1.2
119.03526	0.8
121.73914	0.7
125.07179	1.0
149.84343	0.8
151.19278	0.7
153.39548	0.7
161.04587	1.0
189.90804	0.6
190.53461	0.7
207.14977	1.2
224.17622	0.9
225.16130	5.4
226.16608	0.7
315.18225	0.9
333.23050	1.1
351.23721	1.0
433.31894	2.4
434.24847	3.4
451.32938	100.0
452.33170	11.3
494.33667	1.9
495.24982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	1.4
57.03432	2.2
58.00584	2.2
59.01385	100.0
59.93988	1.4
61.98812	4.0
69.37794	2.0
69.38196	9.1
71.01390	44.6
72.99311	3.4
73.02934	7.5
74.99097	3.0
78.80417	1.5
83.01393	4.5
85.02953	13.5
87.00882	2.3
89.02452	30.5
90.98587	1.6
95.01384	3.1
97.65483	1.4
99.00912	2.9
100.15137	1.5
101.02454	26.9
109.23957	1.5
112.04375	1.4
112.62182	1.5
113.02468	20.6
119.03506	15.2
125.02390	2.0
131.03523	2.2
136.54697	1.4
143.03545	3.1
161.04546	19.8
179.05684	10.3
221.06734	3.5
243.08510	2.5
264.01721	1.5
271.07916	4.8
289.08966	2.8
306.75992	1.7
336.72845	1.6
356.46964	1.8
421.16571	1.6
446.13950	1.7
495.13208	10.4
495.36728	2.2
524.22809	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	1.0
59.01096	1.5
59.01386	25.9
59.96192	0.8
61.98839	15.4
68.95564	8.3
69.69165	0.8
71.01385	13.8
72.99290	1.5
73.02930	2.4
80.05061	2.7
83.01397	1.7
85.02951	2.8
87.00899	1.1
89.02455	10.3
94.36083	0.8
95.01408	1.1
101.02451	9.3
106.18393	0.9
108.04572	10.8
109.04929	0.7
113.02460	5.0
118.88474	0.9
119.03480	3.9
121.05345	1.7
136.07690	14.9
137.08089	0.9
138.05632	1.9
146.84230	0.8
147.03204	2.3
149.06795	0.8
162.05620	6.5
167.12560	0.8
184.11166	0.8
185.10849	0.7
185.56816	0.8
198.08015	0.9
212.09549	0.9
213.06628	1.7
227.11909	0.8
229.09908	1.6
238.07518	2.0
241.06186	1.4
242.07001	1.4
243.11467	2.3
253.09848	3.2
255.07646	1.3
256.08551	2.3
269.04190	1.5
270.10013	1.3
271.10895	100.0
272.11243	6.7
310.26053	0.7
336.52802	0.8
413.71771	1.5
432.10226	2.3
457.09238	1.0
495.16101	3.0
495.31467	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98838	28.8
71.01394	62.9
71.36048	6.6
73.02947	15.5
83.01409	5.8
83.31326	3.5
85.02959	23.4
87.00889	23.2
89.02462	30.6
95.01411	5.0
99.00892	5.0
101.02457	47.0
113.02463	27.4
119.03521	11.6
125.02477	8.2
129.01994	8.2
133.02930	3.7
134.75975	4.0
135.03001	7.0
136.07668	7.7
137.06131	8.4
138.05676	4.6
161.04543	10.3
176.95245	4.3
179.05634	7.5
180.06677	13.4
191.05682	4.1
192.59633	4.6
203.05560	4.2
227.13010	4.0
253.17897	3.8
259.14813	4.3
287.14963	3.9
287.78363	3.6
303.13522	10.4
315.18039	13.5
377.18402	14.2
409.17300	20.5
495.25006	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43257	3.7
56.34708	3.6
57.03455	4.7
59.01384	100.0
61.98836	9.7
63.17133	3.2
69.43491	10.1
69.43890	8.4
71.01391	30.3
72.16462	2.9
72.99312	5.2
73.02956	7.6
75.00896	4.7
77.80620	3.3
78.50458	3.3
83.01414	7.0
83.05015	4.5
85.02967	11.4
87.00888	28.6
89.02454	20.4
97.06609	3.2
98.22493	6.7
99.04561	10.9
101.02437	16.8
103.78431	4.1
108.04588	11.0
109.06583	3.4
111.81544	3.5
113.02483	13.2
119.03519	7.2
123.08212	8.2
125.06102	11.8
127.07616	3.0
129.01962	13.2
132.01497	3.0
132.40155	2.8
136.07677	17.2
147.03058	10.2
162.05588	3.6
179.05721	3.5
185.08235	14.8
191.05569	4.7
223.13351	4.7
241.14468	9.5
243.12465	19.4
271.10901	77.7
272.11362	6.2
285.13397	13.1
303.14490	28.6
315.09003	3.7
333.15631	12.0
433.17212	14.5
435.06415	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93745	0.6
57.03455	3.8
59.01385	100.0
61.98845	0.8
71.01390	2.6
73.02931	1.0
73.16683	0.8
79.22977	0.7
85.02970	1.7
87.04520	2.1
99.00914	0.7
101.02439	1.5
103.04027	62.7
103.35620	0.7
113.02501	1.2
113.64178	0.8
134.24353	0.7
144.30296	0.7
155.64304	0.7
182.79259	0.7
285.04001	1.2
327.21796	1.9
386.15802	0.9
495.23944	2.6
511.02301	0.9
522.39362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01384	100.0
60.01740	0.9
61.14952	1.0
61.98838	3.0
71.01386	3.2
77.18897	0.9
83.01414	1.4
85.02968	1.9
87.04522	75.2
88.67625	0.9
89.02487	1.1
101.02496	1.6
103.04010	10.8
106.67968	0.8
182.94479	0.9
215.27142	1.2
229.17833	1.1
294.75986	0.9
313.17056	1.3
341.07452	1.0
348.81650	1.0
370.89700	0.9
435.22400	2.5
471.88663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
58.00588	2.6
59.01388	100.0
61.82345	3.0
61.98837	12.4
71.01391	47.5
71.17348	2.8
72.99332	5.2
73.02948	10.0
75.00887	25.5
78.95941	5.6
83.01391	5.6
85.02967	13.5
87.00919	5.1
89.02455	56.5
96.96028	2.9
99.00890	4.0
101.02471	33.2
113.02493	19.2
119.03574	4.9
131.02701	2.9
131.03476	16.5
135.03011	65.7
149.04578	36.8
152.99654	6.6
161.04588	4.8
191.05695	8.9
222.57738	3.6
287.14963	4.3
354.14371	2.9
388.42142	3.1
435.22528	12.7
453.23322	4.1
475.90637	3.1
477.19580	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	495.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15501	36.1
52.62789	36.6
53.07970	36.8
54.05628	37.9
69.91148	93.9
69.91542	100.0
73.08492	38.6
77.22171	42.6
98.22435	62.4
114.41428	46.3
119.91187	43.0
149.53951	46.9
212.82642	41.7
253.37906	43.9
345.33768	45.0
360.46689	41.8
462.12509	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41002	0.6
69.81251	1.8
72.00920	10.9
75.73837	0.6
77.60736	0.6
127.87350	0.7
147.04550	34.8
148.04903	1.6
153.01991	1.6
164.07187	100.0
165.07568	4.0
216.44601	0.7
331.10287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74245	0.3
59.01393	1.3
61.98838	100.0
67.18376	0.4
69.59503	2.2
71.01374	0.5
73.02979	0.3
74.50224	0.3
80.12268	0.3
87.34143	0.4
92.50784	0.3
103.39039	0.4
141.01747	0.6
143.28096	0.4
170.46770	0.3
234.70798	0.3
255.03006	0.9
283.02606	1.1
285.04285	0.4
297.04187	0.4
298.05063	0.4
446.08981	0.5
461.10733	2.0
496.26291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.5
59.79812	0.5
61.98838	100.0
71.01418	0.6
88.56656	0.4
94.00257	0.5
98.21897	2.1
98.22588	0.9
101.02500	0.8
102.61565	0.4
132.30907	0.5
140.62025	0.5
191.05714	0.6
208.38528	0.5
223.06230	0.6
309.81595	0.5
496.22467	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	496.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.5
60.24498	1.0
61.98838	100.0
69.16280	2.0
69.16676	6.8
71.01392	2.8
78.83944	0.9
83.05042	2.0
89.02486	1.6
101.02470	1.2
113.02471	1.4
191.05777	1.1
195.01878	1.0
243.17180	1.9
258.46475	1.0
273.08044	1.1
470.52747	1.2
496.31561	1.3
497.33655	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	496.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.5
61.98833	15.6
65.94045	11.2
69.60999	59.4
72.37331	10.5
78.05410	10.9
83.78138	10.7
84.00892	16.5
101.49654	11.5
116.39299	11.0
165.12878	14.8
190.71007	11.9
247.42308	11.1
291.19724	100.0
336.70792	13.6
360.98724	10.9
404.05704	11.0
498.56870	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	497.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.0
60.87880	0.6
61.98849	1.0
69.20837	3.8
71.01389	9.5
72.99326	1.0
73.02960	1.7
74.89285	0.5
75.00873	1.4
82.62803	0.6
83.01400	1.4
85.02959	3.0
86.49003	0.6
87.00869	1.6
89.02451	6.7
93.03461	6.9
99.00897	0.7
99.04527	4.4
101.02452	6.0
109.02984	0.6
111.04524	0.8
113.02475	3.1
117.03474	0.9
117.99892	0.5
119.03541	1.6
125.02463	0.8
131.03513	1.2
132.02185	1.0
133.02980	22.0
134.03770	0.8
135.02927	1.7
135.04546	33.6
136.04900	0.7
137.02470	2.6
137.09764	0.8
149.04631	1.8
155.10799	4.1
160.01682	1.0
161.02466	100.0
162.02780	3.5
173.04552	1.1
173.08011	0.6
179.03508	9.3
191.05603	1.1
199.09805	3.5
285.08875	0.6
305.16101	2.1
323.07721	3.0
335.07764	52.8
336.07971	3.5
341.08820	0.9
372.09879	0.9
379.15930	1.5
437.20276	9.2
438.20935	0.9
455.21060	0.7
497.13031	39.5
497.19467	2.6
498.13312	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	497.1309
Annotation	Verproside
Peak:m/z	Relative Intensity
59.01385	13.0
60.87880	0.6
61.98849	1.0
69.20837	3.8
71.01389	9.5
72.99326	1.0
73.02960	1.7
74.89285	0.5
75.00873	1.4
82.62803	0.6
83.01400	1.4
85.02959	3.0
86.49003	0.6
87.00869	1.6
89.02451	6.7
93.03461	6.9
99.00897	0.7
99.04527	4.4
101.02452	6.0
109.02984	0.6
111.04524	0.8
113.02475	3.1
117.03474	0.9
117.99892	0.5
119.03541	1.6
125.02463	0.8
131.03513	1.2
132.02185	1.0
133.02980	22.0
134.03770	0.8
135.02927	1.7
135.04546	33.6
136.04900	0.7
137.02470	2.6
137.09764	0.8
149.04631	1.8
155.10799	4.1
160.01682	1.0
161.02466	100.0
162.02780	3.5
173.04552	1.1
173.08011	0.6
179.03508	9.3
191.05603	1.1
199.09805	3.5
285.08875	0.6
305.16101	2.1
323.07721	3.0
335.07764	52.8
336.07971	3.5
341.08820	0.9
372.09879	0.9
379.15930	1.5
437.20276	9.2
438.20935	0.9
455.21060	0.7
497.13031	39.5
497.19467	2.6
498.13312	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	497.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.4
59.01398	0.4
61.98824	0.5
66.01640	0.2
69.41812	1.6
71.01378	1.1
72.66256	0.2
73.02956	0.4
74.02460	0.6
81.03462	1.4
84.46329	0.2
86.02484	0.4
89.02470	0.4
99.04531	100.0
100.04861	2.3
101.02446	0.7
113.02465	0.6
125.02467	3.2
128.03564	1.7
135.03076	0.3
143.03595	0.6
143.04636	2.6
152.93121	0.2
160.00804	0.6
161.04572	1.0
179.04736	0.2
210.08875	0.4
254.07878	0.9
261.09909	1.6
272.08865	1.2
288.06702	0.3
291.12564	0.4
306.07690	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
61.98828	5.0
64.03226	1.4
71.01386	4.9
71.26309	1.8
79.57575	1.6
85.02932	2.1
89.02471	2.0
93.03481	9.1
96.96033	6.3
101.02421	2.3
121.02977	12.1
134.03764	10.9
135.04488	1.9
137.01469	3.1
137.02463	38.8
138.03250	14.7
139.04037	100.0
140.04358	2.9
146.03709	10.4
149.02441	2.6
149.06107	20.7
150.03250	10.7
151.04039	3.4
161.02487	2.1
161.06131	7.6
162.10677	1.7
163.05243	1.4
164.04817	6.5
165.05589	7.2
175.60852	1.5
179.07164	36.7
180.07497	2.3
181.05119	2.1
181.85832	1.5
191.05632	1.7
193.05067	8.6
195.06679	1.9
211.06218	2.4
227.58084	1.7
251.40033	1.4
287.09344	17.5
299.09335	8.7
301.09375	2.3
317.10297	8.7
335.11307	8.9
437.03479	1.7
518.61145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44946	3.5
54.95912	3.2
55.01875	3.6
58.00592	6.1
59.01093	6.3
59.01385	100.0
61.98835	8.2
69.04366	17.7
69.04797	17.0
69.32870	3.3
71.01392	74.6
72.99295	5.5
73.02966	17.0
75.00864	8.8
76.08268	4.2
78.55305	4.0
80.05049	7.6
83.01390	9.6
85.02962	31.3
87.00888	9.0
89.02454	37.3
93.03438	4.6
94.97166	4.5
95.01385	5.5
95.45075	3.3
99.00871	9.5
99.04543	22.9
101.02451	49.3
108.04547	13.8
111.00890	6.4
113.02462	25.8
119.03503	9.9
120.04538	3.9
125.02464	6.5
131.03502	14.4
135.03040	24.8
135.04536	11.2
136.07635	3.5
138.05600	15.8
148.04056	16.4
149.04564	8.2
150.05675	6.4
161.02454	10.4
161.04590	12.6
166.05008	17.6
179.03506	10.4
179.05637	3.8
191.05580	10.3
194.04495	4.5
202.12376	3.6
241.09840	6.3
285.08829	17.4
293.08774	4.5
305.16098	24.3
313.43842	4.4
327.23059	3.2
328.10507	28.4
335.07870	7.1
335.11896	4.0
347.28958	3.4
372.09366	56.2
380.40247	3.5
393.11624	3.7
421.15982	5.9
423.19733	3.7
437.20306	86.8
455.20963	5.9
465.15213	11.9
497.17892	16.1
497.26038	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	497.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44946	3.5
54.95912	3.2
55.01875	3.6
58.00592	6.1
59.01093	6.3
59.01385	100.0
61.98835	8.2
69.04366	17.7
69.04797	17.0
69.32870	3.3
71.01392	74.6
72.99295	5.5
73.02966	17.0
75.00864	8.8
76.08268	4.2
78.55305	4.0
80.05049	7.6
83.01390	9.6
85.02962	31.3
87.00888	9.0
89.02454	37.3
93.03438	4.6
94.97166	4.5
95.01385	5.5
95.45075	3.3
99.00871	9.5
99.04543	22.9
101.02451	49.3
108.04547	13.8
111.00890	6.4
113.02462	25.8
119.03503	9.9
120.04538	3.9
125.02464	6.5
131.03502	14.4
135.03040	24.8
135.04536	11.2
136.07635	3.5
138.05600	15.8
148.04056	16.4
149.04564	8.2
150.05675	6.4
161.02454	10.4
161.04590	12.6
166.05008	17.6
179.03506	10.4
179.05637	3.8
191.05580	10.3
194.04495	4.5
202.12376	3.6
241.09840	6.3
285.08829	17.4
293.08774	4.5
305.16098	24.3
313.43842	4.4
327.23059	3.2
328.10507	28.4
335.07870	7.1
335.11896	4.0
347.28958	3.4
372.09366	56.2
380.40247	3.5
393.11624	3.7
421.15982	5.9
423.19733	3.7
437.20306	86.8
455.20963	5.9
465.15213	11.9
497.17892	16.1
497.26038	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	497.2894
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
52.77614	27.0
53.85681	24.4
59.01375	32.6
69.97124	58.1
69.97498	84.3
81.12498	25.0
84.26399	32.4
114.59238	26.8
228.30820	25.1
242.78088	23.9
251.10646	24.8
318.05203	28.9
329.97742	27.9
497.29037	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	498.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	12.6
66.03508	1.0
69.29742	5.8
69.30147	2.0
72.00925	1.3
74.02482	21.8
81.04602	1.2
82.03003	2.7
84.04538	1.2
84.76144	1.0
86.02485	8.2
86.06110	1.2
86.99133	1.6
87.05636	5.2
90.00217	2.2
97.04096	1.7
98.22490	2.2
98.85732	1.0
99.05652	18.1
101.07230	3.1
102.05634	3.7
109.04095	2.8
112.04092	3.4
116.34868	1.0
123.05617	1.6
125.03550	2.1
127.05161	2.7
128.03558	56.8
129.03891	1.5
132.92107	1.2
135.05669	4.9
137.07246	1.2
141.06686	5.2
143.04639	75.6
144.04941	1.5
145.06209	3.5
146.04610	6.2
146.20270	1.1
149.07167	1.3
153.06723	4.7
160.00772	22.3
166.09868	2.7
167.04602	6.1
167.08270	3.4
171.07817	1.9
177.03439	8.1
179.04626	16.6
179.06058	1.3
180.02867	1.0
181.06209	2.4
185.05695	2.7
185.81766	1.0
197.05696	3.5
199.23654	1.2
210.08873	12.8
213.03529	1.0
231.04427	1.7
242.07878	1.6
242.27960	1.1
244.97586	1.1
254.07861	25.7
272.08905	37.9
273.09171	2.1
288.06635	13.3
306.07693	100.0
307.08121	5.7
425.82632	1.1
498.15201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33089	3.3
52.44013	3.5
55.80761	4.2
57.79451	3.6
59.01383	90.8
64.33118	3.7
67.01897	14.1
67.05219	3.7
69.03450	3.8
69.54879	3.5
71.01385	29.7
71.24909	7.6
72.99322	7.5
81.03471	5.9
83.05055	5.5
85.02982	9.4
87.00886	25.8
89.02464	23.5
93.03474	89.3
101.02479	14.0
111.04559	12.0
113.02467	16.0
116.98709	4.6
118.96656	15.7
119.03516	11.6
119.05048	46.6
138.67204	3.7
149.06108	15.6
155.03476	5.8
156.99112	17.1
160.97781	4.2
161.04533	4.7
163.04057	37.9
173.04565	43.7
174.99237	5.8
179.05650	10.4
191.05641	84.5
191.24916	3.9
192.05945	4.6
217.00299	20.8
229.00340	4.4
237.04137	10.6
337.05710	8.6
337.09296	12.8
341.10919	82.7
439.07733	7.4
487.01764	4.0
499.14639	100.0
500.14926	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	499.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.36329	0.6
61.98836	0.9
67.01884	2.0
69.58145	1.8
69.58557	2.3
71.01389	4.4
73.02956	0.9
75.00911	0.9
81.03490	1.0
83.01408	4.5
87.00892	2.7
89.02454	1.7
92.97500	1.7
93.03473	12.5
95.17790	0.8
98.21819	1.2
99.00893	5.4
101.02455	1.6
107.05045	1.8
108.02185	0.9
109.02962	10.2
111.04538	1.4
113.02444	1.6
115.00372	3.9
119.05053	14.0
121.06626	3.7
122.06120	1.0
125.02445	0.8
133.02968	3.5
135.04533	3.3
137.02435	2.4
145.02948	4.1
147.04579	5.6
148.05328	4.5
149.06099	100.0
150.03206	1.2
150.06447	3.3
151.04041	2.4
155.03491	0.9
159.04466	1.6
161.02457	8.3
161.04684	0.8
161.06120	1.8
163.04030	16.4
163.07658	0.8
165.05594	5.6
168.06740	1.0
173.04573	42.5
174.03224	2.1
174.04823	1.2
175.02533	1.7
175.04012	17.5
176.67181	0.8
177.01950	9.2
179.03564	1.0
185.06114	1.2
187.04019	2.1
189.05548	2.1
191.03543	2.5
191.05661	0.9
193.05089	14.9
203.07245	0.7
205.05086	2.2
206.02310	2.0
215.03537	2.1
219.03014	35.3
220.03409	2.0
229.05203	0.9
229.09865	1.1
231.06645	2.3
233.04555	8.7
237.04077	48.5
238.04463	1.4
240.04602	0.8
247.06126	1.3
253.10072	0.8
255.05222	1.3
271.10956	1.8
275.05634	3.5
277.03595	10.1
277.11990	3.2
278.04132	0.8
293.06631	5.3
301.11884	1.3
319.04581	10.6
337.05688	40.9
338.06097	2.7
381.08365	6.7
395.09753	0.8
399.09390	8.9
433.16241	1.1
439.08865	3.9
481.09766	4.4
481.18417	0.9
499.10193	5.5
499.20065	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	499.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	5.0
59.01393	17.9
61.98837	1.9
68.99587	5.2
69.01083	2.1
69.01389	19.6
69.03453	4.3
70.13049	1.7
70.13411	2.2
70.67218	1.7
71.01392	40.4
73.02957	83.5
81.03465	31.5
85.18745	2.0
87.00901	2.8
92.65633	1.8
93.03467	39.6
95.05030	23.9
97.02966	2.4
98.22465	4.5
99.03968	2.6
99.04504	13.8
101.02451	2.0
103.92018	2.6
106.04224	3.1
109.06653	4.9
111.04547	5.8
112.98624	4.4
113.02422	2.5
113.06123	13.8
117.01951	45.0
119.05014	4.1
121.06623	11.2
125.02456	31.7
125.06126	4.6
128.03522	2.0
128.96500	1.9
130.68979	2.4
132.73004	1.8
134.03752	3.8
137.02461	100.0
137.06081	19.6
138.02774	3.5
149.06107	22.5
155.07129	18.0
157.05080	82.1
158.05392	2.7
167.07166	3.8
179.03383	2.1
181.05141	4.6
193.05112	13.4
199.06143	64.9
211.06210	6.1
243.05121	36.0
255.05135	78.0
256.05438	2.4
262.66254	1.8
275.09351	2.3
439.21561	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	499.1465
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03440	2.9
59.01380	7.9
60.99303	5.7
61.98829	1.4
67.01900	15.3
69.03459	3.5
70.51818	3.6
71.01389	8.2
73.02934	2.0
78.64668	1.0
81.03017	1.4
81.03467	3.2
83.05018	1.8
85.02956	2.2
87.00893	21.9
89.02457	3.1
93.03469	100.0
94.03805	2.6
95.01389	1.4
96.96031	3.1
99.00915	2.8
101.02441	4.4
101.72085	1.1
102.97745	1.1
108.39227	1.3
109.02933	2.7
111.04530	15.5
113.02446	4.0
118.96667	1.5
119.05048	23.5
129.01991	2.0
132.98174	1.4
137.02446	1.6
149.06123	6.3
155.03487	1.8
160.94864	1.2
163.04033	15.8
164.07278	2.2
171.30882	1.2
173.04559	62.0
174.04916	1.8
177.02005	1.2
179.05582	2.3
191.05626	17.9
219.03120	1.6
227.73979	1.4
237.04050	4.1
275.05661	1.8
283.11093	1.8
337.05795	2.9
337.09348	6.0
337.13901	1.7
439.18433	1.5
463.17349	3.1
499.14618	62.5
500.14957	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	499.1462
Annotation	kn-93
Peak:m/z	Relative Intensity
50.94140	0.8
54.51137	0.7
57.03439	2.6
59.01383	3.2
60.99327	4.6
61.98831	1.1
67.01898	11.6
69.03448	2.4
71.01398	6.7
71.25821	0.8
71.26233	1.2
72.99309	1.2
73.02946	1.7
81.03461	3.4
83.01406	1.0
83.05049	1.3
85.02978	5.3
87.00892	17.3
93.03471	83.3
94.03829	1.8
95.01344	0.8
96.96038	1.5
98.56510	0.8
99.00875	1.6
99.04523	1.6
101.02440	1.6
109.02971	1.0
111.04526	10.5
113.02447	1.8
115.92106	1.1
117.01989	1.6
117.03417	1.0
119.05045	35.9
120.05367	1.1
127.00393	1.2
127.04034	1.4
129.01936	2.6
137.02473	3.4
139.04063	2.2
143.03508	1.0
145.03003	1.9
149.06039	0.9
150.14905	0.8
150.80391	0.8
152.15392	0.8
155.03497	2.4
163.04037	21.0
164.04362	0.9
173.04567	24.1
174.04895	1.1
191.05637	86.3
192.05960	2.4
199.06117	1.6
212.94302	0.8
255.05208	1.7
287.21545	0.8
301.03525	1.7
337.05746	1.1
337.09409	12.9
338.09918	1.1
379.10468	2.9
488.34439	0.9
499.14661	100.0
500.14749	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	499.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01726	0.8
66.97432	0.7
69.06099	5.8
69.06508	1.6
71.01388	12.0
72.99305	1.5
73.02959	11.1
73.25127	0.8
78.58616	0.8
83.01408	3.7
83.05058	2.4
85.02962	2.5
89.02480	2.8
93.03519	0.9
95.01410	1.1
95.05087	1.3
101.02466	15.7
104.12991	0.8
107.05039	0.7
109.06696	0.8
113.02490	5.7
119.03538	1.4
121.06638	2.5
125.08410	0.7
127.07681	1.3
131.03598	1.1
143.03535	0.7
151.07741	0.9
161.04596	3.6
187.11391	2.1
206.29332	0.7
217.12392	4.5
220.52673	0.9
235.13483	7.3
239.32007	0.7
356.15509	0.7
404.75995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00619	0.7
59.01387	100.0
60.01716	0.9
65.72286	0.6
71.01391	4.5
73.02946	3.5
83.01410	1.5
85.02985	1.0
89.02471	1.7
91.07819	0.6
97.99895	0.6
99.00871	0.6
101.02449	4.5
113.02502	2.0
119.03539	0.8
121.06623	4.5
135.02794	2.7
161.04732	1.3
177.54578	0.6
187.11388	1.7
196.65770	0.7
203.05682	0.7
210.41724	0.6
217.12273	3.9
235.13461	5.2
249.09695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19359	3.3
59.01385	100.0
61.98832	5.7
71.01385	10.6
71.27079	4.8
73.02934	4.3
83.10416	3.6
85.02974	8.0
87.00899	3.7
89.02449	8.6
101.02478	8.7
113.02484	7.9
121.02959	7.2
126.99529	4.0
128.99294	4.2
140.03481	4.1
163.21541	4.1
177.86334	3.6
297.04187	4.1
419.14111	3.6
455.03076	9.2
455.22995	9.1
499.29169	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	499.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98844	1.8
67.80492	1.4
71.01385	5.4
71.28044	2.3
73.02945	2.5
89.02464	2.7
101.02483	3.6
113.02447	1.7
121.06582	1.3
122.87328	1.2
166.07594	1.1
181.27895	1.3
216.78789	1.2
217.04559	1.2
249.09564	2.4
416.58081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10466	0.3
56.98042	0.6
57.49109	0.2
59.01385	100.0
60.01714	1.0
63.97398	0.3
69.10411	0.9
69.10836	1.4
70.23904	0.3
71.01056	0.4
71.01381	1.9
71.68684	0.3
73.02958	0.6
77.52010	0.3
80.66409	0.2
83.17735	0.2
85.02979	0.8
89.02470	0.9
95.05084	0.3
97.06626	0.3
98.22463	0.5
99.00912	0.2
101.02446	1.3
109.06663	0.9
113.02492	1.1
121.01225	1.2
121.26308	0.2
127.07696	0.9
161.04631	0.8
249.09706	0.6
279.97690	0.3
282.91833	0.3
397.22531	1.0
439.23700	0.6
447.43945	0.3
478.25183	0.3
499.26022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98814	3.1
62.54167	2.2
71.01388	3.7
71.28291	3.9
73.02937	2.1
78.95916	12.1
113.02457	4.2
113.77979	1.9
144.16730	2.9
150.52808	2.1
152.99638	16.3
162.85808	2.3
172.63499	2.1
189.12918	3.8
199.42555	2.0
205.16003	13.1
249.15009	2.7
277.21765	70.4
278.22229	4.3
291.23163	2.6
312.62012	2.1
352.78418	2.2
391.90927	2.0
431.22073	4.3
455.31918	3.6
499.30612	43.5
500.30832	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	500.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67794	34.2
52.63877	31.3
52.86070	34.4
59.01376	54.0
59.63258	34.0
64.27144	35.8
66.96809	35.8
70.80071	89.5
88.45734	36.3
128.48474	37.6
138.65154	37.2
189.46167	34.1
309.38116	38.1
387.40671	37.6
501.35583	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	500.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60328	16.8
69.04851	74.5
69.05274	100.0
84.12545	16.5
93.25797	16.2
98.22523	40.3
118.66499	18.0
145.67522	15.7
169.93683	17.1
197.16196	17.4
220.12430	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	501.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19356	1.4
59.01388	81.4
61.42710	1.0
63.34060	1.1
69.09680	11.0
71.01395	1.5
78.95911	1.3
85.02967	2.0
90.01388	1.4
90.97105	1.2
91.49091	1.3
96.96073	1.9
98.22591	2.5
110.34005	1.3
113.02406	1.5
127.96140	1.2
157.03535	4.4
174.99251	20.8
201.02570	31.3
201.04321	2.6
202.02711	3.5
217.00322	100.0
218.00613	2.4
343.03699	2.3
353.59103	1.5
359.01501	54.7
360.01788	5.0
372.97946	1.6
484.27805	1.7
501.14581	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.8
60.01748	0.8
61.98840	0.9
70.42024	1.3
70.42400	1.3
71.01382	2.2
75.00887	0.8
77.74631	0.6
83.01384	1.1
87.00876	0.9
90.97148	1.1
93.03476	1.1
95.06442	0.6
99.00818	0.7
113.02436	0.6
115.00396	1.3
117.00454	0.7
118.96568	0.8
132.98210	2.0
133.06639	3.0
149.06113	1.3
157.03564	3.4
158.03822	0.6
158.99734	0.6
159.01500	1.3
174.99261	24.7
175.02478	1.9
177.05519	1.0
191.05630	0.7
201.02574	31.8
202.02693	2.2
214.98666	0.7
217.00320	100.0
218.00645	2.2
219.03053	1.2
221.04558	1.3
222.99445	0.7
261.35693	0.6
283.11313	0.7
343.00018	0.7
343.03708	2.6
359.01508	58.3
360.01727	6.4
383.09988	1.7
459.07999	0.7
501.12500	2.1
519.69727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.9
59.01383	15.9
61.98827	1.7
69.22976	4.6
71.01385	4.8
72.99317	1.6
74.92352	0.6
75.00896	0.8
78.95914	0.7
80.32146	0.7
83.01392	1.1
85.02956	1.0
87.00877	1.8
89.02448	2.6
93.03468	1.8
96.96024	2.5
96.96977	0.9
101.02470	3.4
113.02454	0.9
114.52196	0.8
119.05070	0.8
123.03264	1.1
128.71513	0.6
138.05627	4.5
161.07320	0.8
163.04019	0.9
163.08765	1.3
176.05925	8.6
177.06714	15.3
191.05620	1.4
191.08287	24.9
192.08664	1.7
203.08287	2.3
204.05521	0.8
205.06197	41.4
206.06589	2.0
219.07758	43.3
220.08121	2.5
223.06131	1.2
245.09448	1.4
321.10831	4.4
336.05582	0.7
337.07700	1.1
339.11987	100.0
340.12347	7.3
501.17273	19.4
502.17685	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	501.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82250	1.6
54.41580	1.7
56.36175	1.9
59.01387	100.0
61.98835	2.1
65.41535	1.9
67.55598	1.8
71.01386	15.1
72.20372	2.0
73.02960	3.9
75.99538	2.0
85.02944	4.9
85.76543	1.7
89.02461	11.1
101.02455	7.4
104.54829	2.0
113.02469	6.3
121.02914	2.2
131.03539	4.1
139.86151	2.2
149.04562	4.4
149.68100	2.1
149.80420	2.0
180.98294	1.9
399.23676	3.3
415.23105	2.6
501.30515	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	501.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52024	1.4
55.01895	1.5
59.01385	100.0
60.01713	2.0
61.01859	1.5
61.98847	1.8
66.46825	1.7
69.33443	3.0
69.33849	10.3
71.01386	19.1
72.99307	2.6
73.02963	8.3
75.00865	2.8
80.45435	1.6
82.95420	1.7
83.01397	4.8
85.02963	7.2
87.00890	3.1
89.02447	9.2
98.21822	1.5
98.55405	1.8
99.00897	2.1
101.02466	16.5
111.00867	1.9
113.02459	9.7
115.00387	1.5
119.03529	3.1
121.06609	2.2
127.00414	1.5
135.03033	2.4
141.45848	1.5
145.01460	2.2
145.05103	2.8
161.04555	3.8
167.87625	1.6
191.05637	3.8
284.03296	1.7
467.55292	1.6
501.11310	1.9
501.31494	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26808	0.6
55.75803	0.6
59.01386	100.0
60.01714	1.0
61.98830	1.4
67.15303	0.6
69.33109	3.2
71.01390	3.2
73.02966	2.2
83.01400	1.0
85.02982	0.8
87.00874	0.5
89.02477	2.4
101.01884	0.5
101.02444	2.9
113.02482	1.6
119.03543	0.7
121.06691	0.6
140.62816	0.5
160.71947	0.7
183.04585	0.6
246.80540	0.6
305.74954	0.7
457.32941	0.6
501.16483	0.6
501.23688	1.0
501.32236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81595	0.5
58.45906	0.5
59.01385	100.0
60.01718	0.9
62.58206	0.5
71.01387	3.0
72.71844	0.4
73.02956	1.0
88.98055	0.4
89.02474	0.9
101.02490	1.4
104.29615	0.5
106.01687	0.4
113.02502	1.6
119.56168	0.4
131.38336	0.5
155.40585	0.4
161.04602	0.9
217.71402	0.4
282.68594	0.5
399.24051	2.5
417.25128	0.7
501.32233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94630	0.8
55.01884	1.4
57.03451	1.8
58.00592	3.6
59.01387	100.0
60.01720	1.5
61.98835	1.0
63.81367	0.7
69.03464	1.0
71.01389	60.1
72.99324	5.4
73.02962	2.6
83.01397	2.6
85.02967	11.7
87.00896	4.4
87.04530	1.2
89.02457	69.4
90.02804	1.4
93.03453	1.2
95.01386	3.6
97.27156	0.8
98.22645	1.6
99.00905	1.6
101.02451	28.5
111.87195	0.8
113.01847	0.6
113.02463	23.7
119.03510	27.6
125.02463	1.7
128.04466	1.0
131.03502	1.9
135.91620	1.0
139.00346	0.9
143.03506	4.9
149.04579	2.0
157.39363	0.8
157.80423	1.0
161.04622	6.3
173.04541	0.9
179.05664	11.7
180.06052	0.9
191.05661	8.6
247.62090	1.0
289.12329	1.0
299.18912	0.9
327.21686	3.5
327.25259	0.8
403.64572	1.0
501.31363	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.9
67.44492	0.8
69.20768	6.3
71.05033	1.4
81.28950	0.8
98.21863	1.7
99.71629	0.8
189.12856	4.4
191.14357	1.0
193.17056	0.9
205.16011	9.9
207.17558	21.4
208.17801	1.2
210.53616	1.0
221.15474	1.3
280.58008	0.8
293.17584	1.9
295.19208	1.2
313.81696	1.1
333.00311	0.8
439.32422	2.3
441.33630	10.0
455.35574	1.1
457.36966	16.4
458.37466	2.1
483.34518	3.9
501.35919	100.0
502.36304	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	501.3594
Annotation	Nebrosteroid C
Peak:m/z	Relative Intensity
51.49310	0.6
59.01389	36.5
60.38421	0.6
70.83646	0.6
70.83968	1.0
135.41614	0.6
163.67831	0.6
275.23755	4.1
329.28763	0.6
341.28476	2.0
397.34991	1.6
423.32913	0.7
441.33820	20.2
442.34222	2.6
501.35938	100.0
502.36322	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	501.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32113	0.6
54.46061	0.7
57.75126	0.6
59.01371	2.2
62.03408	0.7
69.14890	5.7
69.19160	0.6
71.05034	16.2
72.68904	0.7
91.17384	0.7
116.36679	0.7
119.99200	0.7
163.31784	0.6
172.68829	0.7
200.80643	0.7
205.17966	0.8
207.17599	1.2
339.14780	0.7
391.30362	0.8
423.32642	2.0
441.33795	2.1
457.37115	2.4
483.34641	5.5
501.35916	100.0
502.36176	14.1
517.96594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3592
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
59.01386	51.0
69.15744	9.2
80.63120	1.0
88.79308	1.0
92.73158	1.0
94.78752	1.0
240.72586	1.2
271.20804	3.6
273.22208	5.1
305.21143	1.3
317.21347	2.5
331.22818	11.0
333.24384	44.3
334.24713	2.4
365.23364	11.8
366.23962	1.4
377.43411	1.3
397.35004	2.5
416.11151	1.1
441.33734	4.0
457.36923	8.5
501.35934	100.0
502.36237	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84136	2.4
59.01389	100.0
60.01715	5.9
62.51737	1.9
65.46687	1.9
68.99189	5.1
68.99593	18.3
69.21574	2.0
70.26225	1.9
71.01384	11.3
73.02961	4.6
73.15756	2.2
74.18208	1.9
85.02966	4.0
89.02455	6.2
93.79743	2.2
101.02467	9.2
101.80743	2.0
113.02422	4.9
117.39796	2.1
141.23242	2.1
268.31757	2.4
398.68036	2.4
399.19202	2.3
399.23819	13.5
417.24948	8.5
459.26352	2.3
512.98297	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	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66062	2.7
59.01094	5.6
59.01385	100.0
60.01689	2.8
69.27017	6.0
69.27425	13.4
71.01381	11.8
76.84167	3.2
85.02957	3.3
89.02450	5.0
94.68485	2.8
100.81154	3.0
101.02435	7.5
108.62617	2.7
113.02462	4.2
161.04584	4.8
242.07835	2.5
255.02980	8.5
256.60718	3.0
283.02478	5.0
399.23758	10.9
417.24808	14.5
488.09720	3.0
502.32941	6.1
503.11838	11.8
503.33710	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	502.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79291	4.1
55.73197	4.2
59.01386	100.0
66.65569	4.1
69.18756	15.0
69.19180	20.2
71.01376	19.0
73.02951	5.7
83.05032	5.2
85.02971	6.2
89.02460	5.6
98.22497	9.5
101.02455	14.3
101.76359	4.6
113.02455	11.8
128.70462	4.8
133.41409	4.0
135.46046	5.1
139.07681	4.5
146.44221	4.8
206.98680	4.9
288.93530	5.5
399.23999	6.4
502.26501	18.7
503.17728	5.7
507.34308	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	502.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98837	100.0
71.60765	1.3
71.75943	1.3
78.18252	1.4
98.21808	3.9
112.10925	1.6
117.86269	1.6
118.53151	1.4
152.99643	2.7
269.62997	1.7
277.21664	3.0
342.01785	1.5
412.17242	1.5
502.32458	13.7
503.33862	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	503.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53025	0.6
57.03452	0.9
59.01394	4.8
60.35621	0.7
63.31236	0.5
64.90598	0.5
67.01907	0.7
68.99819	0.8
69.28406	4.4
71.01394	4.2
71.99752	0.6
75.00892	2.6
79.26117	0.6
83.01412	5.1
85.02969	1.7
87.00900	1.0
87.46178	0.7
87.55856	0.6
89.02469	4.6
98.21822	1.4
101.02481	1.9
107.01415	1.0
109.02982	2.0
113.02477	1.9
119.03564	1.4
123.04554	2.1
125.02465	10.1
128.54819	0.7
133.02969	1.0
134.03769	12.3
135.04541	2.5
137.02501	2.0
139.04034	1.5
147.03011	2.7
149.02492	2.3
149.06097	4.7
151.00392	8.7
151.04063	2.3
153.01968	100.0
154.02310	2.9
160.01645	0.8
161.02448	2.6
161.04581	1.1
163.00359	0.9
165.02045	1.2
175.04002	0.9
177.02026	1.1
178.02715	6.0
179.03619	1.3
179.05563	1.2
193.05087	26.3
194.05441	1.1
195.03067	3.0
197.04605	1.0
223.06105	1.3
231.50447	0.7
315.07266	40.9
316.07623	2.0
323.10062	1.1
355.10553	2.5
436.12396	0.6
503.14105	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1202
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01389	7.9
66.69328	0.7
68.96469	0.7
68.96812	7.5
71.01373	2.0
75.00888	0.8
77.98869	0.6
83.01376	0.7
87.01862	0.7
89.02444	1.1
98.21738	1.2
99.54672	0.7
101.02451	0.7
107.01331	0.6
112.17182	0.6
113.02444	1.5
121.02962	0.7
149.02428	0.7
151.00429	1.1
157.30370	0.7
183.04616	0.7
226.29948	0.7
255.03008	97.9
256.03387	7.1
268.03824	1.0
269.04587	4.7
283.02512	66.1
284.03192	17.8
285.03983	2.7
297.04074	12.4
297.07104	1.2
298.04849	13.7
299.05603	12.0
300.06018	0.8
313.03534	2.1
325.69693	0.7
348.57333	0.7
393.78247	0.7
465.95969	0.8
488.09732	17.8
489.10547	1.6
502.32489	0.8
503.12009	100.0
503.32394	1.7
504.12234	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	503.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85720	2.1
59.01378	15.1
59.45749	2.0
69.09891	16.9
71.01389	12.1
72.99305	5.1
75.00876	5.4
78.95914	22.8
85.02966	5.1
87.00893	12.1
89.02469	8.5
96.96014	7.8
96.96975	33.0
98.34845	2.7
99.17885	2.3
101.02461	5.9
113.02454	5.7
117.03544	4.1
132.02205	3.4
133.02975	23.0
134.03775	38.0
135.04558	56.8
136.04929	2.5
137.02477	6.3
147.03008	5.3
149.02460	6.7
149.06107	10.7
160.01726	3.4
161.02472	100.0
161.04547	3.9
162.02846	4.6
163.04025	3.3
164.04796	10.3
167.03549	2.4
175.04117	3.1
177.05627	5.0
178.02754	15.7
178.58754	2.0
179.03517	73.4
179.07126	6.7
180.03737	2.5
191.05447	2.8
193.05072	74.2
194.05580	3.8
203.03622	2.6
208.03795	9.3
209.04324	2.2
221.04597	11.7
223.06131	22.2
229.89690	2.2
231.47224	2.1
235.06099	4.2
236.06953	4.9
237.07745	2.7
251.09258	32.6
281.06958	3.0
281.10257	4.3
323.07742	9.1
327.09332	2.7
341.08792	77.1
341.12866	4.7
355.10431	6.1
385.11359	3.6
503.14056	26.6
504.14664	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
64.02150	0.4
69.20485	3.5
71.01370	1.3
73.02961	0.4
75.00883	0.8
77.31265	0.4
78.95909	0.9
85.02974	0.5
89.02465	0.9
91.53441	0.4
93.03474	0.8
94.17630	0.5
96.96043	0.6
96.96960	1.5
101.02457	0.6
117.01945	0.7
121.02985	4.3
134.03723	1.3
135.04498	1.9
137.02463	0.6
149.02463	36.4
149.15047	0.4
149.53320	0.4
150.02765	1.2
151.03902	0.5
151.58789	0.4
152.01151	2.3
163.02814	0.5
163.03986	2.8
164.04813	37.2
165.05150	1.4
169.05116	0.9
179.07149	13.6
193.01437	6.1
193.05035	0.9
208.03786	20.3
209.04123	0.9
222.31795	0.4
223.06133	100.0
224.06516	4.5
265.07202	1.3
317.95593	0.4
385.11420	7.0
386.11502	0.5
503.14172	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	503.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
61.98829	0.5
69.15239	3.6
71.01385	3.5
73.02962	0.8
73.78003	0.4
75.00867	1.2
79.80185	0.4
85.02951	0.6
87.00889	0.4
89.02470	2.1
93.03497	1.1
101.02467	1.7
113.02469	0.9
117.01931	0.7
119.03532	0.6
121.02985	3.9
134.03752	1.6
135.03023	4.9
135.04567	3.7
137.02463	1.0
139.07678	0.8
149.02461	26.7
150.02763	0.7
151.04021	0.7
152.01190	5.3
161.04536	0.8
163.04047	4.4
164.04816	22.9
165.01953	1.4
165.05243	0.7
169.05031	1.9
179.03554	1.1
179.05685	0.6
179.07150	9.0
179.08751	0.6
179.10649	0.6
191.05746	0.5
193.01433	15.1
193.05115	0.9
194.01642	0.9
208.03786	37.4
209.04134	1.9
223.06137	100.0
224.06441	5.0
265.07330	0.5
341.08734	1.3
385.11395	12.1
386.11798	1.5
503.13599	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	503.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.2
59.01389	7.5
61.98803	0.8
69.36957	1.9
69.37361	3.8
71.01389	6.4
72.99299	2.5
73.02953	1.3
75.00880	15.8
75.89182	0.8
85.02948	3.5
85.41621	0.9
89.02440	2.9
91.05547	2.4
96.29923	0.8
96.96008	1.3
99.00867	1.3
101.02429	1.9
111.00914	1.0
113.02461	1.3
117.01955	0.9
119.03518	1.0
121.02955	2.6
129.01959	2.5
133.02945	1.3
134.03755	48.0
135.04480	3.3
137.02460	7.7
138.05672	2.0
139.03999	2.9
146.03848	1.1
147.03011	13.8
149.02451	7.1
149.06084	17.4
160.01727	1.4
161.04591	1.3
163.04024	5.1
164.04832	8.6
165.04041	9.6
175.04060	2.9
177.01968	1.3
178.02730	33.4
179.03316	2.7
179.07106	3.1
193.05072	100.0
194.05391	4.5
204.91840	0.8
208.03777	4.2
223.06128	22.0
236.07129	0.9
323.07504	7.4
339.11981	1.2
341.08899	7.7
341.12491	1.8
355.10309	6.0
503.13843	26.1
504.14371	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1621
Annotation	fagopyritol A2
Peak:m/z	Relative Intensity
54.88099	1.5
58.00583	1.6
59.01385	36.5
69.04613	10.1
71.01392	27.9
73.02953	1.9
83.01368	1.4
83.05662	1.3
85.02966	20.3
87.00880	7.4
89.02458	29.4
93.03487	4.5
95.01381	2.2
97.03012	1.6
101.02456	13.7
103.23268	1.4
113.02465	13.0
119.03518	7.8
127.04006	1.4
131.03447	2.3
134.03787	1.9
143.03516	2.5
161.04558	7.3
175.64949	1.4
178.54881	1.2
179.05672	11.1
179.07129	1.9
185.83911	1.3
191.05640	100.0
192.05952	4.1
193.05020	2.3
203.59177	1.3
209.08733	1.5
323.10016	7.7
503.16122	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	503.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
55.53097	0.6
57.03451	4.2
59.01389	8.3
61.98835	1.1
67.01885	0.8
68.91954	0.6
68.96371	7.2
68.99818	3.0
69.03145	0.9
69.03466	10.2
71.01394	5.7
71.05016	2.0
72.99310	0.8
73.02937	1.4
75.00871	0.8
83.01383	2.0
85.02957	7.0
87.00879	2.5
89.02441	2.1
93.03484	1.2
95.01418	2.2
99.00907	4.4
101.02448	2.3
110.04174	0.6
111.00890	3.4
111.04527	1.0
111.08176	1.7
112.98851	0.7
113.02473	5.2
113.06107	1.4
113.99589	9.3
115.00391	4.6
119.03476	0.7
123.08165	0.7
127.00368	2.2
129.01949	2.2
130.08754	0.6
139.00380	3.5
139.11299	8.7
140.11708	0.6
141.02017	0.7
145.25273	0.6
156.00653	1.1
157.01440	5.7
173.04588	0.6
175.02505	1.2
179.03371	0.6
183.08638	1.3
183.10284	26.8
184.10574	1.3
191.05629	1.9
192.09738	0.6
211.04373	0.9
216.79942	0.5
220.97661	0.6
242.05981	0.9
257.08276	1.3
259.04669	1.7
277.05673	11.0
285.04172	1.0
301.05713	1.5
305.16306	0.6
319.06793	3.2
337.07883	1.0
340.11469	1.0
377.69873	0.7
460.12863	0.8
503.17780	100.0
504.18134	11.6
508.41052	0.7
526.13342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65711	1.6
56.99337	1.3
58.47468	1.4
59.01383	33.6
69.31497	8.3
69.31902	2.7
71.01402	9.1
72.99301	4.1
73.02965	2.1
75.00881	12.0
77.35899	1.4
83.01415	1.7
85.02951	6.0
87.00901	4.5
89.02457	5.1
94.61182	1.6
98.22533	2.2
100.35324	1.6
101.02457	4.6
109.02957	1.8
113.02467	3.8
119.03541	2.0
129.01947	2.3
133.03032	2.6
134.03758	51.6
135.04587	18.6
137.02461	2.7
147.03001	17.8
149.02469	4.1
149.06085	22.6
161.02463	6.7
161.04587	1.8
164.04788	5.9
165.04089	2.0
171.11711	3.4
178.02742	14.8
179.03566	15.7
179.05067	2.1
179.05595	1.4
179.07127	2.0
193.01434	3.5
193.05084	100.0
194.05403	5.0
208.03714	6.6
223.06155	24.7
237.15106	1.8
246.27956	1.6
246.30486	1.6
251.09329	4.4
278.62042	1.8
281.10883	3.2
281.13928	20.1
298.21692	1.7
323.07703	2.6
341.08878	8.5
355.10504	5.4
385.11414	5.5
503.13977	24.9
504.15054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74166	4.5
59.01385	100.0
68.98164	36.3
68.98573	13.5
71.01376	17.2
73.02957	7.7
83.32203	4.6
89.02462	9.4
89.77991	4.8
91.41568	4.5
101.02480	10.3
113.02467	9.8
154.97525	5.0
236.84407	5.9
375.38992	5.9
399.23795	12.1
400.24054	9.2
417.24887	10.6
418.25070	6.6
503.33289	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22863	2.3
59.01388	100.0
60.01714	3.2
65.87307	2.4
71.01381	13.4
85.02950	6.9
89.02451	4.4
98.22583	4.5
99.00900	2.8
101.02453	7.4
113.02450	10.5
135.02982	4.7
161.04639	3.7
229.88774	2.7
399.23953	7.6
417.24774	4.5
417.80212	2.9
429.61734	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
55.21461	0.5
57.03455	1.5
58.00600	3.6
59.01385	87.5
60.01725	0.9
61.02976	0.6
61.55560	0.4
61.98859	0.5
66.50679	0.4
69.03452	0.7
71.01390	64.3
71.28464	0.5
72.01727	0.9
72.99323	3.8
73.02953	9.7
74.02478	0.4
75.00883	1.1
81.03452	0.5
83.01390	4.1
83.05020	0.5
85.02960	11.6
85.80909	0.5
86.00109	0.7
87.00887	10.0
89.02456	100.0
90.02808	1.3
93.03483	0.7
94.16916	0.5
95.01392	1.1
97.02962	1.2
97.77737	0.4
99.00910	1.6
101.02454	47.2
102.02811	0.9
109.02957	0.8
111.00917	2.1
113.02468	13.9
115.92104	0.5
119.03513	7.3
125.02440	2.9
131.03519	41.5
132.03889	0.7
135.02989	0.9
143.03522	1.4
149.04575	73.7
150.04916	2.0
159.04555	0.4
161.04588	1.4
173.06172	0.5
179.05614	1.5
191.05634	23.7
192.06049	1.2
216.57771	0.5
227.12900	0.5
251.07608	0.9
251.12833	0.5
267.06747	0.7
283.09647	0.8
290.84494	0.5
353.06683	0.5
503.17850	2.0
503.24994	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3023
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
58.69197	5.6
68.95934	5.7
69.11223	43.2
85.00384	4.6
98.00901	5.3
103.22591	5.6
123.97812	5.5
171.23537	6.3
199.99643	5.7
295.58212	5.5
423.29303	8.6
455.28162	40.8
473.02197	6.4
503.29968	100.0
504.30676	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3023
Annotation	Spongianolide B
Peak:m/z	Relative Intensity
56.20227	0.5
57.03466	2.6
59.01390	9.8
59.57233	0.5
69.10290	4.7
71.01385	3.6
71.05022	2.3
73.02910	0.7
74.57746	0.6
83.05009	0.5
85.02949	1.3
87.00877	1.0
87.59046	0.5
89.02459	1.3
97.06593	2.7
98.03721	0.5
100.27604	0.5
101.02441	1.5
106.40599	0.5
112.82005	0.5
113.02475	1.1
116.07231	1.1
118.98206	0.5
123.08154	1.4
134.10251	0.5
141.09187	1.4
145.01450	1.6
153.09163	0.6
167.26721	0.5
173.04601	0.7
173.68829	0.5
201.95126	0.7
207.13818	0.6
214.51718	0.6
233.15497	12.9
234.15883	1.0
349.21896	0.8
359.24152	0.8
377.24847	1.4
379.22382	0.6
389.24869	1.1
393.23737	0.7
393.28192	1.1
395.25809	1.7
405.28271	1.1
407.25894	4.4
409.27502	2.8
411.29077	6.1
423.29086	9.9
424.29010	0.6
425.27066	1.2
427.28525	1.1
437.26941	3.0
439.28690	3.2
441.30502	1.1
455.28088	40.9
456.28424	5.0
459.31024	1.1
473.29166	1.3
485.28802	1.0
503.30185	100.0
504.30539	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	503.3388
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
56.22132	0.8
57.03460	3.0
59.01389	16.1
59.59549	0.7
66.69440	0.8
69.13979	4.1
69.14396	3.5
71.01390	1.0
71.05046	1.2
78.95921	1.2
83.04981	0.9
93.51660	0.9
94.44559	1.0
97.06628	1.3
123.08221	1.2
140.90334	0.9
154.02592	0.8
193.16072	3.8
221.15533	1.5
232.43898	1.0
251.00029	1.0
279.23334	25.3
279.26248	1.5
399.29520	2.1
400.12900	1.0
402.72876	0.9
405.60846	1.0
417.34122	1.4
427.28522	1.1
441.34476	2.0
459.35629	6.6
485.33231	5.9
497.18723	1.1
503.34137	100.0
504.34720	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	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
53.79547	1.1
55.01873	4.7
59.01384	7.1
65.57102	1.0
69.04207	4.1
69.04631	6.8
82.75803	1.1
93.46671	1.1
110.98527	1.5
142.08060	1.3
152.99706	1.3
157.36014	1.0
163.64418	1.0
185.02190	1.7
253.21736	1.1
308.45425	1.3
399.32825	4.2
441.33786	8.1
459.34866	28.4
460.35144	3.3
485.32852	9.9
503.33804	100.0
504.34232	12.8
525.58380	1.4
529.77887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
50.91732	0.4
57.03437	1.0
59.01372	1.5
70.92392	0.6
70.92716	0.6
71.38670	0.5
84.70520	0.4
89.24693	0.4
138.10513	0.5
160.75330	0.4
234.59547	0.5
365.28436	1.0
381.31729	2.4
399.32568	1.6
425.30624	3.0
439.32080	0.4
441.33810	28.2
442.34171	4.2
444.05576	0.4
459.34921	8.8
460.35309	1.2
485.32935	3.0
503.33850	100.0
504.34134	13.2
516.50378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.5
61.98843	1.8
66.04282	1.1
66.04684	1.0
69.29855	1.2
70.39103	1.5
70.39453	3.5
71.80231	1.1
96.96044	1.2
120.44245	1.5
121.02973	100.0
122.03363	1.4
181.06589	3.7
197.06093	2.9
225.05510	2.7
274.99313	1.4
313.07043	5.7
417.09894	9.2
505.11484	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	505.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19103	0.6
55.38270	0.7
56.52294	0.7
59.01382	6.3
59.79134	0.6
60.83886	0.7
61.98822	1.7
67.01919	0.7
67.81849	0.6
69.08850	5.8
71.01396	3.5
72.99341	1.0
73.02955	1.2
75.00880	1.1
82.95390	0.6
83.01376	0.7
85.02934	1.3
87.00887	0.9
89.02455	2.1
93.03462	1.4
96.96036	0.8
96.96948	1.0
99.00885	1.4
101.02454	2.0
108.02189	2.4
109.02962	100.0
110.03313	1.8
111.00897	16.4
113.02498	1.1
119.03490	0.8
121.02969	3.3
121.40876	0.8
122.03764	3.6
123.04552	3.8
133.02975	0.9
134.03729	1.5
135.04539	7.2
136.05025	0.7
137.02444	1.3
139.04050	3.9
143.03479	3.6
149.02451	16.7
149.06107	0.7
150.03218	1.6
151.04007	3.2
151.07640	0.8
154.02795	0.9
154.99870	0.6
161.02449	2.3
163.04018	1.2
174.03253	0.7
175.03999	2.0
176.04793	2.0
177.05563	2.1
179.03506	17.5
180.04333	4.3
181.05043	3.5
191.03490	1.8
193.05063	3.0
194.05829	1.8
195.06645	1.6
207.06529	0.8
220.03873	1.3
221.04561	10.7
223.06116	3.9
226.06381	1.4
227.07138	2.0
234.05309	0.9
235.06161	1.0
251.05444	1.1
253.07178	68.4
254.07495	3.8
255.10258	6.6
265.07272	1.1
283.08160	1.6
307.08258	3.3
323.60736	0.7
343.10446	6.6
383.09702	1.0
387.16791	1.5
390.59985	0.7
415.12534	20.4
416.12943	1.7
445.14050	0.7
505.14706	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20458	0.4
61.98828	0.4
93.03477	0.4
108.02190	1.1
109.02976	0.8
116.67094	0.4
117.03548	0.5
121.02985	2.3
123.04543	0.7
130.04288	0.6
131.05035	1.2
133.02954	0.5
134.03773	0.6
135.04515	1.3
143.05048	0.8
145.02977	4.9
146.03784	3.0
147.04544	3.7
148.04939	0.4
149.06137	0.5
158.03757	19.5
158.05075	0.9
159.04520	3.8
160.05170	0.4
161.06076	1.0
163.04030	0.9
164.04857	0.4
165.05612	5.2
171.04509	1.5
173.06062	0.5
175.04066	0.4
176.04794	2.5
177.05554	0.4
187.03896	0.5
188.72186	0.4
189.05591	1.4
207.06651	1.5
208.03741	0.9
209.06102	0.8
219.08185	0.5
221.06157	0.7
223.07610	1.6
225.09285	1.0
231.08185	0.5
233.06137	0.8
234.06874	0.5
235.07700	2.0
236.08449	1.1
237.05643	0.9
237.09108	0.9
238.06358	0.9
239.07184	0.5
242.05777	0.5
247.07613	1.5
248.08168	0.5
251.07133	2.6
252.07834	1.4
253.05215	0.6
253.08739	1.7
254.05824	0.9
254.09529	5.3
255.06566	0.7
255.09958	0.5
259.07608	0.9
261.05566	0.8
262.06342	1.3
263.07144	4.4
264.07901	1.2
265.05252	0.6
265.08685	4.0
266.09018	0.5
267.06650	1.1
268.07428	3.1
269.08151	1.2
270.08942	0.5
273.05804	0.5
274.06259	0.4
275.07162	2.7
276.07941	1.8
277.08649	1.5
279.06644	3.6
280.07443	25.2
281.08133	7.2
282.09012	6.7
283.09778	6.4
291.06595	3.3
292.07477	3.2
293.08228	7.0
294.09012	15.5
295.09778	32.8
296.10089	2.5
297.07718	1.5
298.08423	2.9
307.09888	0.7
309.07693	18.5
310.03177	0.5
310.08496	32.3
311.08731	2.5
313.10852	34.3
314.11191	2.0
325.10849	100.0
326.11212	8.4
343.11908	9.9
344.12375	1.3
426.24527	0.4
475.16177	7.4
476.16547	0.7
487.16144	8.9
488.16516	1.0
494.25067	0.4
505.17276	8.8
506.17728	1.1
511.93219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1722
Annotation	5-Hydroxycampenoside
Peak:m/z	Relative Intensity
52.87896	1.1
53.17482	1.0
55.95739	1.1
61.54449	1.0
65.72787	1.0
67.31747	1.1
68.53970	1.1
79.26650	1.1
98.22647	2.5
117.82178	1.1
145.02968	4.3
146.03725	3.7
147.04500	3.0
157.24211	1.1
158.03758	14.5
159.04485	2.5
161.06093	1.9
165.05591	7.1
165.38910	1.2
176.04886	1.5
189.05608	1.9
219.08130	1.3
227.63901	1.2
229.11827	1.2
235.07663	1.4
247.07536	1.6
251.07016	1.7
253.05023	1.5
254.09505	5.0
263.07187	4.0
264.07849	1.3
265.08719	2.6
275.07138	3.2
277.08676	1.9
279.06686	3.6
280.07422	19.4
281.08139	4.1
282.09070	6.8
283.09821	5.4
291.06711	2.7
292.07269	3.0
293.08228	6.9
294.09052	19.5
295.09750	29.2
296.10175	2.3
298.08633	2.3
307.10153	1.4
309.07693	17.6
310.08481	35.9
311.08868	2.4
313.10797	22.0
314.11136	2.3
325.10837	100.0
326.11038	8.6
343.11810	9.3
386.65121	1.5
397.55350	1.5
475.16089	7.2
487.16000	9.3
505.17215	9.7
506.17017	1.5
513.44135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.7
61.98825	0.5
67.01896	2.7
68.99833	0.5
69.33056	0.9
69.33483	1.2
71.01382	2.7
73.02954	0.5
81.03474	0.6
83.01396	1.6
85.02959	1.3
87.00872	0.4
89.02450	0.9
95.01397	3.9
99.00890	0.4
101.02464	1.4
107.01411	1.4
108.02169	0.8
109.02951	0.5
110.00135	0.4
111.00900	7.8
112.98855	0.4
113.02456	1.2
116.92871	0.6
118.06174	0.4
123.00903	39.1
124.01689	21.2
124.02382	0.2
125.02521	0.4
135.00929	0.5
135.04538	0.6
138.03224	0.5
139.00383	2.1
151.00452	0.5
155.38385	0.3
156.41034	0.4
181.06648	0.5
189.94798	0.3
241.14636	0.5
265.91129	0.4
284.02975	0.7
285.04092	0.6
286.08469	4.9
287.09149	0.9
299.05591	1.2
299.08810	0.4
301.10840	100.0
302.11206	7.8
325.20258	0.6
357.99982	0.4
399.24069	0.5
426.75198	0.3
442.16443	0.4
445.15164	0.8
505.10440	0.4
505.16998	1.2
505.26227	1.4
505.33960	0.8
513.50830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06940	0.6
59.01385	3.6
61.98822	0.7
64.97208	0.6
66.84456	0.6
69.03609	4.4
69.04017	1.6
71.01389	1.5
71.60106	0.6
73.02956	0.7
75.00841	0.7
85.02991	1.0
89.02448	2.0
101.02485	1.1
108.02177	1.3
109.02960	1.0
112.90469	0.7
121.02972	1.9
130.04250	0.6
131.05048	1.2
133.03055	0.6
133.06564	0.6
135.04514	1.7
137.02380	0.6
143.05023	0.7
145.02950	4.6
146.03749	3.7
147.04550	4.8
147.96941	0.7
149.06070	0.8
158.03728	11.2
159.04524	3.0
161.02480	0.7
161.06068	1.6
163.04041	1.8
165.05612	4.0
171.04526	1.5
173.06088	0.6
175.03909	0.9
176.04797	2.5
178.06302	0.6
189.05637	2.8
208.03857	0.9
221.06094	1.2
235.07677	1.6
236.08308	1.2
237.05583	1.4
238.06419	0.7
238.68913	0.6
239.07065	1.1
247.07549	1.6
249.05746	0.8
251.07112	2.0
253.08757	2.2
254.05865	1.2
254.09535	4.5
255.06683	1.0
263.07162	4.5
264.07971	2.3
265.08679	3.7
267.06601	2.3
268.07532	3.0
269.08112	1.3
275.07321	3.0
276.07809	2.1
277.08746	2.0
277.66351	0.7
279.06494	3.1
280.07425	14.7
281.08121	6.2
282.08994	5.6
283.09760	5.3
291.06711	3.9
292.07404	5.6
293.08182	5.3
294.09024	14.2
295.06277	1.1
295.09756	16.5
296.10226	1.1
297.07700	1.5
298.08450	2.5
307.09872	1.8
308.06873	1.2
309.07709	14.5
310.08490	25.9
311.08942	1.8
313.10864	30.5
314.11139	2.9
325.10852	100.0
326.11227	7.9
343.11890	10.3
344.12250	1.0
475.16144	6.6
476.16171	1.1
487.16360	5.7
505.16962	9.0
505.26337	0.9
506.17899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
70.42944	1.2
70.43282	0.7
71.01389	1.5
73.02932	0.6
85.02967	11.1
85.70526	0.6
87.00883	1.9
89.02441	0.9
93.03461	3.2
106.28893	0.6
109.02974	1.3
111.04546	1.2
114.51540	0.6
127.04016	1.7
139.18417	0.5
171.02998	1.1
173.04630	1.6
191.05629	100.0
192.05939	3.2
327.61313	0.6
441.51077	0.6
469.59003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25658	1.4
53.66459	1.3
59.01388	100.0
61.98829	1.9
66.35038	1.4
71.01394	3.6
75.02393	1.4
85.02951	1.9
85.91269	1.7
89.02465	2.7
96.95987	2.9
97.49791	1.7
101.02437	2.3
108.02232	1.5
118.98106	1.8
119.05042	6.0
121.03008	2.4
122.03782	1.9
125.02474	2.0
129.03488	9.3
130.04289	1.5
130.11511	1.4
134.03769	3.2
135.04556	9.7
145.02965	4.0
146.03737	5.6
147.04543	35.6
149.06067	3.0
151.04047	3.2
158.03754	5.0
159.04442	2.0
161.02464	18.5
161.04634	1.9
161.06151	3.9
162.03194	2.3
163.04082	10.9
164.04826	21.4
165.05597	75.3
166.05914	2.8
176.04852	9.4
177.05553	3.9
179.03516	22.3
179.07140	12.2
181.08623	1.8
191.07185	5.7
193.05020	2.5
194.05893	31.0
209.08209	82.0
210.08553	3.5
243.84624	1.4
255.06978	3.8
263.07141	3.1
275.07269	1.6
280.07370	9.0
281.08292	2.7
281.66675	1.9
282.09003	2.7
283.09601	1.7
292.07254	1.7
293.08536	1.9
294.09003	5.6
295.09796	11.7
309.07562	8.1
310.08490	17.0
313.10861	13.8
325.10855	52.3
326.11209	3.8
327.10815	2.3
343.07996	2.6
343.11835	21.9
344.12268	3.7
363.94965	1.5
372.16077	2.7
475.15948	3.2
487.16022	5.2
505.16837	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	505.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53596	2.9
57.03466	3.3
59.01385	100.0
61.98825	5.3
66.83108	2.5
71.01385	45.3
73.02951	10.5
73.41558	2.8
75.00882	4.4
83.01413	4.8
85.02983	8.6
87.00877	5.4
88.98778	2.7
89.02455	40.5
91.20805	2.6
93.65372	2.5
95.01412	3.8
99.00918	5.0
101.02451	29.4
104.81856	2.6
113.02470	17.4
118.98103	3.1
119.03493	16.3
120.99712	3.3
121.02919	4.5
125.02422	2.4
125.35616	3.3
135.03032	7.1
143.03520	4.6
161.04601	13.1
164.07181	3.2
165.05592	3.4
172.10921	3.2
179.05634	33.7
191.05692	6.1
221.06557	6.4
280.07300	3.8
310.08508	3.8
325.10876	14.7
387.16565	15.6
445.17151	9.2
505.17816	5.4
505.24835	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76187	1.1
59.01387	100.0
59.77678	1.3
71.01386	4.3
86.38160	1.4
89.02448	1.8
93.03443	1.5
95.43821	1.3
96.96043	2.2
107.05098	1.4
119.05050	4.6
121.85167	1.3
122.03813	1.9
125.02489	2.6
129.03493	7.5
134.03760	4.0
135.03065	1.5
135.04544	7.4
145.02972	3.1
146.03777	3.4
147.04550	37.5
148.05057	1.7
149.06119	3.1
151.04021	3.0
151.07729	1.5
158.03760	4.0
161.02470	17.1
161.04681	1.6
161.06104	3.7
163.04027	9.2
164.04820	17.1
165.05592	72.6
166.05960	2.5
176.04788	10.8
179.03519	20.6
179.07137	10.3
180.03882	1.3
191.07159	5.4
194.05864	30.2
195.06262	1.8
206.20131	1.4
209.08220	90.5
210.08585	4.2
212.49944	1.3
228.78696	1.3
255.06862	6.0
280.07425	4.4
281.08231	2.3
293.08374	1.7
294.08835	3.1
295.09805	7.3
309.07785	3.3
310.08508	5.7
313.10919	9.3
325.10895	28.6
326.11145	2.3
327.10892	4.0
343.11844	20.4
358.22131	1.6
372.16122	2.0
423.16336	1.6
475.16287	2.3
487.16998	3.1
505.17322	4.0
531.08691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.0
59.01388	100.0
60.01696	1.1
61.98837	2.7
63.05285	0.7
69.43087	1.7
69.43507	2.9
71.01392	10.9
73.02950	4.9
75.00887	1.8
83.01412	2.1
85.02985	3.1
87.00908	3.0
89.02473	6.0
99.00960	1.1
101.02446	7.1
113.02460	5.2
119.03546	2.3
120.99679	0.9
131.92279	0.7
135.03032	3.0
138.05730	0.8
143.03526	1.0
148.07622	0.8
149.04578	0.7
149.09746	0.7
161.04543	4.4
161.09738	14.5
162.10149	1.4
163.66342	0.8
164.08478	1.6
175.04045	0.8
178.09964	1.0
179.05643	1.4
179.10799	13.5
179.12216	1.1
185.11946	1.4
190.10179	0.9
191.05722	1.8
191.10855	1.2
203.05655	1.4
205.12367	4.8
208.11160	1.0
223.13425	28.2
224.13823	1.7
229.55074	0.7
287.15222	1.2
356.50162	0.7
367.17313	0.8
385.18762	2.0
387.10934	1.2
445.21033	2.7
505.19498	2.0
505.26678	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	505.2577
Annotation	Amoritin
Peak:m/z	Relative Intensity
51.76671	3.0
62.47589	3.3
70.01363	3.4
70.01697	13.8
78.95914	45.6
91.58629	3.5
96.96976	6.5
143.76288	4.7
152.99609	77.1
212.80835	3.4
227.03220	5.4
229.71120	4.0
257.98682	3.7
277.21783	100.0
278.21964	6.4
299.12296	3.8
431.21988	8.9
505.25812	53.6
505.33524	5.6
506.26099	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2661
Annotation	Foliasalacioside G
Peak:m/z	Relative Intensity
55.01861	1.0
57.03463	0.9
58.00583	1.6
59.01386	74.1
60.01736	1.0
69.58096	1.9
69.58496	1.5
71.01389	20.3
72.70884	0.6
72.99298	1.7
73.02940	3.7
75.00851	1.1
76.04691	0.6
76.18053	0.6
77.31198	0.6
81.03481	0.6
83.01393	2.3
84.52219	0.7
85.02970	5.1
87.00880	1.7
89.02454	15.7
95.01403	1.5
99.00919	0.8
99.34345	0.6
101.02459	13.4
105.01939	0.8
107.08673	0.8
109.03012	0.7
111.00861	0.6
113.02460	9.1
117.03555	0.7
119.03510	6.0
121.10321	0.6
123.70623	0.7
131.03542	0.8
135.03008	0.9
139.07664	1.3
143.03500	1.1
145.02992	1.3
149.04608	0.8
155.10826	0.6
161.04530	1.5
179.05638	2.5
191.05699	1.5
209.08243	1.2
214.50589	0.7
255.03043	1.0
283.02545	1.4
284.03207	0.7
285.04053	1.4
287.15076	1.2
299.05682	1.2
325.20258	3.9
343.21390	0.8
425.04031	2.8
425.53879	1.1
445.24503	0.8
487.25504	3.3
505.20007	3.4
505.26596	100.0
506.26947	9.6
525.80219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.9
59.01389	10.2
59.64222	0.9
61.98827	1.8
68.99329	3.3
68.99763	7.9
69.03463	4.6
71.01387	26.3
72.99303	3.0
73.02937	1.6
75.00507	1.2
75.00890	16.9
83.01384	6.1
85.02489	1.8
85.02966	22.7
87.00896	8.0
87.04520	1.0
87.21579	1.1
89.02464	4.6
90.52676	0.9
90.53234	1.1
91.04007	2.1
95.01401	7.6
99.00898	17.2
103.00379	1.6
107.96336	1.1
111.00880	4.3
113.02465	33.0
115.00363	1.1
128.07095	1.0
129.01968	2.6
131.03471	3.6
152.99550	1.0
157.01425	4.1
175.02513	1.0
205.07167	3.8
223.08209	1.0
240.77065	1.1
249.06200	31.1
250.06651	1.1
255.23326	100.0
256.23737	5.9
267.07306	6.8
279.23346	8.8
361.31421	1.1
447.25089	1.6
505.30240	91.2
506.30557	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	505.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42474	1.4
55.01880	2.3
57.03441	4.5
59.01384	9.0
63.26562	1.0
68.99456	4.6
68.99873	7.9
69.03455	4.7
71.01389	23.4
72.99287	3.1
73.02956	1.6
75.00884	15.8
83.01395	7.5
83.94386	1.1
85.02959	20.9
87.00890	8.1
89.02476	3.6
95.01390	7.3
99.00899	19.0
111.00890	5.0
112.01652	1.7
113.01740	2.3
113.02467	28.2
129.01962	1.4
131.03513	3.7
139.00389	2.4
151.29436	1.1
152.16887	1.1
156.68286	1.1
157.01424	3.9
175.02472	1.3
205.07190	3.7
231.05057	1.3
249.06183	29.9
255.23314	100.0
256.23676	7.7
267.07272	4.8
279.23309	11.7
429.06839	1.2
447.25275	2.9
454.23734	1.1
505.30243	73.2
506.30426	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	505.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01690	1.3
70.52711	2.5
71.01400	5.8
73.02943	1.7
73.24822	0.7
79.05669	0.8
83.01411	2.1
85.02959	3.8
94.88107	0.8
99.00892	1.2
101.02452	4.1
109.56451	0.8
113.02465	3.5
160.32263	0.8
160.42953	0.7
161.04590	1.5
161.87260	0.8
195.46895	0.7
202.05827	0.8
227.49571	0.8
301.27713	1.2
439.06067	0.8
445.31726	10.2
446.32315	1.2
463.32791	11.4
464.33307	1.0
505.35120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.7
69.11876	6.4
71.01402	2.9
71.05066	1.1
72.30441	0.8
73.02954	2.2
78.95908	1.9
118.71678	0.9
171.97755	0.8
177.12907	1.7
191.14458	7.2
193.16008	19.0
194.16292	1.5
203.14381	0.9
205.15979	1.5
207.17392	1.1
219.17595	2.8
230.65277	0.8
249.18631	3.4
256.10025	0.9
277.21753	5.4
323.28027	0.9
377.58438	0.9
399.36533	5.3
415.32355	1.1
425.34464	2.1
443.35367	12.6
444.35596	1.4
461.36618	1.2
469.33627	1.5
487.34409	10.4
488.34906	1.2
505.35522	100.0
506.35788	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64144	0.3
55.92729	0.4
56.86017	0.3
59.01392	1.8
69.76469	0.6
69.76869	1.1
71.01397	2.3
73.02947	0.5
78.95915	6.7
82.53173	0.3
110.61169	0.4
111.08156	0.4
121.06660	0.5
123.11374	0.3
147.22797	0.3
152.99603	9.6
168.29305	0.3
175.11234	0.5
177.12869	1.7
191.14433	5.6
193.15996	18.9
194.16296	1.1
203.14424	0.7
205.16052	0.6
207.13924	0.5
207.17592	1.2
219.17513	2.1
221.19293	0.5
227.03250	1.3
237.18613	0.3
249.18617	3.8
250.82813	0.4
259.20670	0.4
272.76736	0.4
277.21777	23.3
278.22055	2.0
371.33252	0.8
383.33386	0.8
399.36319	4.6
400.36774	0.5
409.31384	0.5
415.32254	0.9
425.34259	1.4
426.34329	0.4
443.35388	12.9
444.35648	1.7
461.36691	0.5
469.33215	1.2
487.34381	9.2
488.34766	1.3
505.26062	10.2
505.35428	100.0
506.26639	1.3
506.35718	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	505.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40589	1.0
52.87531	0.8
59.01376	4.4
70.90674	2.0
71.01388	2.5
73.02923	1.1
77.73393	1.0
78.95915	2.1
102.34445	1.1
146.52522	1.1
152.99605	2.1
164.67538	1.1
175.11356	1.5
182.74565	1.0
191.14478	4.6
193.15984	18.2
194.16371	1.6
205.16074	1.3
219.17581	2.4
226.08005	1.0
235.17241	1.1
247.16483	1.1
249.18657	4.5
277.21811	3.7
285.63257	1.5
399.36417	4.8
425.34464	1.1
437.92853	1.0
443.35379	10.8
444.35794	1.4
445.33780	1.0
469.33401	1.6
487.34644	8.8
488.35010	1.3
505.35559	100.0
506.35864	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	506.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	43.4
61.98830	2.0
69.80923	6.1
70.49057	1.7
71.01398	34.2
72.00926	19.1
73.02957	2.1
80.46392	2.0
85.02962	3.8
87.00870	2.9
89.02460	51.1
95.01397	2.6
97.27306	1.8
98.21912	2.6
101.02461	18.3
113.02470	15.4
116.90191	1.7
119.03516	17.6
127.41796	1.6
131.03519	3.4
143.03500	4.3
147.04549	51.4
161.04567	6.2
164.07196	100.0
165.07530	2.9
179.05650	29.6
341.10962	93.6
342.11319	5.5
377.42484	2.0
380.98987	1.9
469.88007	1.7
518.65613	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01384	19.0
61.98835	4.8
65.00320	2.5
67.68150	1.0
71.01382	10.7
71.28870	1.2
72.99328	1.2
73.02946	3.5
75.00885	1.1
83.01392	3.1
85.02955	6.2
87.00885	1.5
89.02450	4.8
101.02441	8.0
107.01404	2.9
113.02510	4.4
119.03558	1.6
123.03319	1.1
125.02395	1.5
133.02989	13.0
143.03520	1.3
149.02449	3.6
151.00378	9.3
161.04604	2.2
167.03514	1.1
175.04021	4.5
199.04022	2.5
201.01991	1.8
215.03517	1.1
217.05099	2.6
243.02997	2.0
255.03087	3.2
256.03778	10.8
283.02512	5.6
284.03281	27.4
285.04059	100.0
286.04449	6.0
307.79675	1.0
345.30142	2.5
347.17932	4.0
347.68088	1.1
363.12308	1.0
405.23004	0.9
425.54254	1.1
463.10391	77.2
464.10611	7.7
507.28040	1.3
507.35596	13.2
508.36008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.5
61.98844	6.4
65.00349	1.6
68.99213	10.8
73.02979	1.0
74.11612	1.1
75.00890	2.1
83.01383	1.5
85.02961	1.8
98.21755	2.0
101.02458	1.6
107.01423	1.3
111.08182	1.7
113.02473	1.2
133.02995	5.9
135.03012	2.6
149.02484	3.0
151.00403	6.2
152.01280	1.3
156.98225	1.2
173.08229	1.3
175.04063	2.3
195.47882	1.1
199.04008	1.3
201.57198	1.1
219.75380	1.2
227.03535	2.5
255.03001	13.8
256.03781	25.8
257.04205	1.6
283.02496	34.4
284.03287	100.0
285.04050	46.6
286.04468	2.5
293.62579	1.1
463.10406	28.0
464.10757	3.6
469.44540	1.1
501.01733	1.1
507.33328	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	507.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68966	1.3
59.01385	7.5
61.69971	1.0
61.98811	2.1
67.01901	1.0
69.05499	2.9
69.05923	7.4
71.01383	3.7
73.02947	1.8
75.00849	1.0
85.02947	1.8
87.00895	1.1
89.02444	3.2
93.03470	2.9
98.22520	2.0
101.02483	2.1
108.02229	1.1
109.02948	1.9
113.02468	1.8
117.01982	2.1
117.03410	1.1
117.07109	1.2
121.02979	18.9
122.03765	7.7
123.04568	2.0
133.02971	2.4
134.03760	56.9
135.04515	4.2
136.01653	1.1
137.02486	10.6
139.03981	1.9
146.03748	2.5
147.04489	1.3
148.01678	1.0
149.02458	24.5
149.06087	14.4
150.03253	56.3
151.03642	2.0
159.04570	1.9
160.05313	2.1
161.04773	1.5
161.06090	12.5
163.04031	2.6
163.07675	10.4
164.04803	4.3
165.05589	64.8
166.05930	2.6
167.27786	1.0
173.06076	11.9
175.04091	1.4
178.02742	26.9
178.06274	1.4
179.03413	1.2
179.05602	1.2
179.07126	2.3
180.04285	4.0
181.05002	1.0
190.06384	2.3
191.05510	1.5
191.07167	13.8
193.05080	100.0
194.05435	4.1
195.06653	42.5
196.06949	2.0
196.44739	1.0
221.06027	1.5
239.07170	3.1
250.06374	3.6
251.07018	1.6
253.08653	1.4
254.09222	1.1
265.08633	1.8
267.06720	3.5
281.08087	1.2
282.09061	13.2
285.11520	1.3
297.11353	5.0
309.11349	1.3
315.12451	18.7
316.12836	1.7
327.08926	1.6
327.12439	9.9
341.10321	53.1
342.10382	4.8
345.13452	30.2
345.22711	1.2
346.13834	2.2
389.12524	14.6
413.37979	1.3
507.15164	6.0
507.18851	8.0
507.27005	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	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.8
59.66612	0.4
61.98835	8.4
71.01395	1.2
71.26204	0.7
73.39212	0.4
73.69490	0.4
85.02982	0.4
89.02459	0.7
94.80693	0.4
101.02476	0.6
101.03967	0.7
103.05534	0.5
113.02464	0.8
117.03458	0.5
119.05040	7.0
123.04564	0.7
129.03484	10.9
130.04274	1.2
134.03761	3.2
135.04576	0.5
137.02556	0.5
145.02985	0.9
146.03737	2.2
147.04538	52.4
148.04881	1.9
149.02446	0.7
149.06094	0.7
150.03314	2.3
150.20654	0.4
151.03993	0.9
156.01372	0.4
164.04820	0.6
165.05586	100.0
166.05936	3.3
178.02756	1.0
181.05153	0.7
193.05090	3.6
195.06656	1.1
242.74406	0.4
285.04007	0.8
285.74597	0.4
307.61942	0.6
339.04980	0.5
341.10178	0.7
345.13388	6.9
345.17316	0.6
389.12491	1.9
507.28122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1878
Annotation	Hirsutanonol-5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01401	4.7
61.98833	1.2
62.41715	1.0
63.25909	1.1
67.01907	1.1
69.18597	1.6
69.19001	6.8
71.01391	2.9
75.00867	1.8
89.02464	1.2
98.06672	0.9
103.36286	1.1
108.02171	1.5
109.02964	1.1
117.07124	1.0
121.02989	4.7
122.03735	2.9
123.04547	2.8
133.03015	1.1
133.06573	2.5
134.03755	12.8
135.04523	2.2
137.02496	4.4
143.05051	2.2
145.06624	2.1
146.03772	9.3
147.04614	1.7
148.05350	2.7
149.02425	5.9
149.06078	7.7
150.03255	13.9
155.05066	2.2
158.03760	1.3
158.30949	1.0
159.04483	2.0
160.05334	8.0
161.06105	28.5
162.03349	2.6
162.06844	1.1
163.04054	3.5
163.07675	39.9
164.04858	1.4
164.08041	1.9
165.05606	15.6
172.05350	4.4
173.06097	56.5
174.03262	1.3
175.04066	1.4
177.05580	1.4
178.02751	6.1
178.06435	2.9
179.07156	1.8
180.04369	1.4
187.47679	1.0
189.05627	3.2
190.06380	12.1
191.07158	56.7
192.07501	3.0
193.05083	24.4
194.05373	1.0
195.06656	10.1
207.06712	2.6
282.08990	9.1
285.11368	7.5
294.09119	4.2
297.11334	13.9
309.11359	4.3
314.80737	0.9
315.12436	34.0
316.12842	2.5
327.12411	33.6
327.16162	2.0
328.12918	3.3
341.10410	10.7
342.10574	1.0
345.13467	100.0
346.13770	7.5
389.12552	3.6
477.17886	1.2
507.18881	41.0
508.19070	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	507.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01385	100.0
60.01716	1.3
61.98816	1.3
66.00169	0.8
67.16125	0.8
69.16090	3.4
69.16509	4.2
71.01389	12.6
72.99312	1.1
73.02968	4.8
75.00866	3.6
83.01382	1.7
85.02972	2.6
87.00877	3.7
89.02457	3.5
99.00898	5.6
99.04527	2.3
101.02448	3.3
105.01946	9.6
109.06616	1.8
113.02473	2.2
114.93123	1.0
117.01958	1.8
124.89342	0.8
129.01938	1.6
131.03508	1.1
135.03008	9.4
152.43967	1.0
152.51433	0.9
165.12915	2.0
178.68695	0.9
189.12865	2.6
207.13884	6.0
209.11873	6.9
219.20496	0.9
225.15001	10.7
226.15399	1.5
227.12915	33.2
228.13121	0.9
240.15758	0.9
243.03107	0.9
251.12830	2.1
263.23291	0.9
265.14468	1.1
269.13962	9.7
270.14340	1.0
283.15540	7.8
287.15033	38.8
288.15497	2.4
301.04776	1.0
301.16605	29.1
302.16846	2.8
327.21799	1.3
371.17368	4.2
387.16568	1.4
389.18182	24.2
390.18472	2.7
405.17612	1.0
419.19135	2.8
426.05243	1.1
447.25998	4.1
465.27023	3.1
477.19037	2.0
507.20685	15.9
507.28116	15.6
508.21323	2.1
508.27927	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	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	6.2
58.20203	3.9
59.01387	84.1
60.74836	4.2
61.98827	11.6
70.40195	5.2
70.40592	4.1
70.61807	10.8
71.01392	60.9
73.02968	13.1
83.01410	8.5
85.02961	24.2
89.02462	38.4
97.02950	4.9
99.00909	8.7
101.02451	39.4
107.68433	4.4
113.02485	13.6
125.02495	6.5
128.73862	4.4
131.03519	23.7
149.04549	10.5
161.04587	13.1
191.05746	5.0
201.43208	4.3
297.40118	4.6
298.88046	4.1
315.18073	25.5
345.16977	6.5
447.22351	100.0
448.22855	9.0
488.35187	5.0
524.26489	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	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01714	0.6
64.25202	0.4
69.53162	1.4
71.01404	1.3
72.97541	0.4
73.02964	0.5
74.97107	0.7
83.01366	0.3
85.02971	0.4
86.54991	0.4
89.02462	1.0
89.97011	0.3
101.02482	1.5
113.02489	1.0
126.63154	0.4
150.80658	0.3
165.05643	0.6
217.98755	0.4
246.10397	0.3
387.20404	0.8
437.55292	0.5
447.22437	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.6
59.01386	100.0
60.01724	1.1
69.44336	1.1
69.44740	2.2
71.01392	2.6
72.51244	0.5
73.02953	2.9
83.01411	1.0
85.03000	0.5
87.00890	1.2
89.02464	1.5
91.96674	0.5
101.02470	3.0
111.00970	0.7
113.02485	1.5
119.03515	0.8
121.02965	0.6
125.02503	1.1
130.91853	0.6
134.03755	1.2
135.02971	0.7
145.80226	0.6
145.88554	0.6
147.57985	0.6
149.06218	0.7
150.03278	1.2
161.04637	1.5
165.05605	1.3
167.07195	1.2
169.41313	0.5
178.12210	0.5
179.07219	0.7
190.86664	0.6
193.05127	2.0
195.06659	1.0
314.09296	0.6
341.10419	1.0
384.67935	0.5
389.18503	0.8
447.22647	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	507.247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39269	1.0
57.03453	1.7
59.01386	100.0
59.57071	1.2
60.01702	1.0
61.98832	4.8
62.66056	1.1
69.14364	2.6
69.14768	5.4
71.01391	19.6
72.11470	1.1
73.02950	19.5
75.00880	3.1
81.65533	1.2
83.01389	5.7
85.02956	5.7
87.00895	3.7
89.02463	11.3
93.03453	1.3
95.48464	1.2
98.22512	2.2
101.02460	18.9
109.55419	1.0
111.93301	1.1
113.02465	11.1
117.01982	1.3
119.03516	4.5
120.99680	1.6
121.02962	2.6
124.07691	1.4
125.06175	1.1
131.03540	1.1
132.04570	8.9
133.05339	4.3
134.03772	3.9
137.02457	1.2
141.05711	1.1
143.03479	2.0
149.02499	1.8
149.06061	1.3
150.03236	5.8
158.03699	2.1
161.04555	6.7
165.01932	1.3
165.04329	4.8
165.05531	5.5
166.02824	1.4
178.02805	2.2
179.05565	1.5
181.04987	1.9
182.68489	1.0
191.05655	4.4
193.05067	8.3
195.06693	4.1
203.05647	1.4
214.12491	1.3
215.12024	1.1
221.06606	1.2
229.09891	1.0
241.09944	1.6
257.12869	5.3
259.11804	1.3
265.08072	1.5
272.93890	1.0
280.07370	1.8
281.07834	1.5
282.08420	1.6
283.10925	1.8
294.08670	1.5
295.09485	2.3
296.09818	3.1
297.10410	3.0
301.11880	1.9
303.14398	1.2
310.08450	3.2
311.08527	4.3
312.09174	3.9
314.11218	1.9
315.11682	3.4
325.10880	6.4
326.11185	7.3
327.11462	16.9
341.10352	3.9
345.10904	35.2
346.11197	3.7
346.95609	1.2
387.20160	5.5
389.12714	1.2
389.18246	4.4
405.21228	9.8
447.22284	9.0
477.16336	1.9
489.16669	2.4
507.16428	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	507.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06721	1.8
57.03438	2.1
59.01384	100.0
61.98834	3.3
62.86718	1.8
64.01479	1.8
69.23444	15.3
71.01386	18.9
73.02949	8.6
83.01406	2.6
85.02965	8.1
86.00114	2.3
87.00871	3.4
88.98828	19.5
89.02455	35.3
95.01410	2.5
97.02925	2.5
99.00858	2.3
101.02446	11.0
105.08203	2.1
106.66593	2.1
113.02480	6.9
119.03535	2.1
161.04561	7.5
211.13370	3.9
258.56522	2.1
285.20749	2.2
377.37991	2.3
389.07550	2.1
447.26172	25.8
448.25986	3.1
486.47775	2.1
507.28067	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98843	0.4
63.95361	0.4
70.30664	0.6
70.31034	0.9
78.95911	12.2
96.96973	1.1
109.24706	0.4
152.99605	19.9
154.27126	0.4
168.41133	0.4
171.00708	1.9
174.46686	0.4
205.71062	0.4
227.03296	2.6
245.04317	1.7
261.11658	0.4
279.23325	100.0
280.23676	8.0
289.31168	0.4
391.72134	0.4
433.23425	0.9
507.27344	21.3
508.27634	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	507.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86850	6.2
59.01377	26.9
59.52443	5.0
61.98825	18.2
69.06956	35.8
69.07372	20.0
83.90077	5.7
152.45699	5.5
190.12692	6.2
195.44821	5.8
219.17542	8.5
255.29448	6.0
279.19748	16.7
303.31555	5.9
445.32761	6.9
471.31577	15.4
489.32306	27.1
507.33386	100.0
507.57941	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	507.3331
Annotation	Lemmasterone
Peak:m/z	Relative Intensity
59.01390	7.6
61.98825	2.3
68.98294	0.7
70.74700	1.1
70.75033	1.0
85.06625	0.8
98.16754	0.7
165.12869	2.7
191.14375	1.6
207.13892	2.2
209.11835	2.3
219.17474	3.6
279.19742	13.4
330.37033	1.0
359.26981	0.7
375.28885	1.1
383.33002	1.0
403.32291	3.0
417.30045	1.1
427.32156	3.0
435.30972	2.1
445.32654	3.8
463.34430	17.4
464.34610	2.1
471.31113	4.8
489.32278	14.7
490.32541	1.3
507.33246	100.0
508.33691	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	507.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46074	1.9
55.01882	4.7
57.03445	6.0
59.01386	50.6
61.98817	3.2
67.00446	1.7
69.01756	16.3
71.01392	100.0
72.99321	4.8
73.02954	22.6
80.47139	1.7
83.01409	12.4
83.83763	1.9
85.02962	37.9
87.00893	4.2
89.02456	26.6
95.01402	9.7
95.81322	1.8
98.12386	1.8
99.00883	9.7
101.02460	54.8
111.00892	4.6
113.01736	2.8
113.02473	34.5
118.17477	2.0
119.03535	13.3
137.32472	1.8
143.03526	4.4
159.03004	8.2
161.04594	41.5
179.05690	2.9
188.56407	2.1
260.82397	1.9
263.05582	2.2
319.36389	1.8
345.30240	13.8
507.35474	88.8
508.35764	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00681	0.6
57.09056	0.6
59.01395	1.1
61.98831	0.5
70.65565	1.7
71.01393	0.9
72.88486	0.6
89.02457	1.4
98.00081	0.8
124.98849	2.8
125.99620	1.0
137.99634	0.9
140.01164	1.0
140.89079	0.6
141.01884	0.7
152.01257	0.7
152.98352	8.4
153.01973	3.2
153.99113	32.9
154.99899	12.3
155.03513	0.6
166.99927	0.8
167.03552	2.1
168.00677	16.8
169.01468	100.0
170.02243	21.4
171.02632	0.7
181.01483	0.8
182.02283	1.5
183.03036	28.4
184.03807	17.7
185.04607	24.7
186.04982	1.0
195.03082	1.3
200.05177	0.6
207.02843	0.7
225.04132	1.0
237.04337	0.7
285.96457	0.7
295.57080	0.7
311.07904	0.9
315.07324	0.6
317.05228	1.5
331.06760	4.2
332.07547	14.2
333.07529	0.9
346.09134	8.6
347.09903	80.7
348.10126	4.5
509.15222	7.3
512.18866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	3.2
59.01094	5.1
59.01389	100.0
61.98814	3.6
71.01387	20.9
73.02945	9.1
75.00873	9.6
77.28693	2.9
83.01403	6.9
85.02966	8.5
87.00890	11.7
89.02483	10.0
95.01396	3.4
99.00919	3.1
101.02465	17.4
111.00858	4.0
113.02466	7.6
119.03527	4.5
130.71455	2.7
134.58525	2.7
135.03032	7.1
139.11278	10.5
149.02477	4.0
150.03264	5.6
152.18492	3.2
154.99962	3.5
161.04597	4.7
165.05505	3.2
181.12334	6.4
183.10310	6.6
187.02538	3.7
199.13451	4.2
225.11359	4.4
227.13069	4.3
243.12373	10.9
317.12262	4.0
343.11951	13.2
391.15881	10.5
391.20175	5.9
415.85461	2.9
420.24762	2.9
435.70883	3.5
464.09155	3.7
508.30643	3.2
509.18652	9.4
509.23401	8.2
509.31137	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	509.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98830	6.6
69.58064	11.4
69.58475	7.3
71.01398	54.1
73.02945	16.2
75.00875	12.2
83.01392	11.0
85.02971	21.4
89.02446	22.4
95.01395	4.8
99.00900	7.0
101.02459	41.8
109.80853	4.4
113.02476	28.2
119.03491	7.5
119.13488	4.0
124.13251	4.1
125.02486	3.9
129.01921	4.6
143.04990	12.0
161.04515	11.0
179.05598	5.5
203.05643	3.6
226.55150	4.1
230.25215	4.4
284.03195	6.7
285.04117	19.2
329.23553	8.0
423.18439	19.0
424.19254	4.6
447.09384	18.5
449.27582	4.9
467.25354	4.9
509.22687	4.3
509.29733	79.3
510.30020	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	509.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39930	2.4
59.01385	100.0
60.01720	3.0
61.98831	11.6
62.95936	2.5
63.03585	2.4
68.79546	2.5
68.99832	17.1
69.00246	10.4
69.48392	2.6
69.71535	2.8
71.01389	60.7
72.99306	6.1
73.02956	16.6
74.46002	3.3
75.00881	9.1
77.54627	2.4
83.01421	6.1
85.02943	12.9
87.00879	9.3
87.13264	2.6
88.97799	2.6
89.02457	68.4
89.02969	4.6
95.01391	4.1
98.22604	3.7
98.45148	2.7
99.00880	4.0
100.01379	2.6
101.02460	47.1
113.02479	19.1
113.12225	3.1
118.98089	3.5
119.03513	10.8
125.02431	15.7
131.03520	20.3
134.03720	3.1
135.03029	12.9
136.96957	3.1
149.04582	47.3
150.03340	2.8
154.99998	5.0
161.04584	6.3
167.07059	3.0
191.05640	15.5
254.07819	3.2
346.66306	2.4
347.11316	3.4
347.17252	3.9
391.19611	4.6
449.23935	9.3
467.21268	4.2
476.95963	3.0
509.22342	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	509.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81659	21.2
60.61137	20.3
61.98844	24.9
68.12290	20.3
70.01643	44.0
70.02036	49.2
78.62462	22.6
79.87996	20.1
95.48397	23.1
95.62874	26.4
98.12601	21.5
102.60273	23.0
351.84192	24.7
480.53128	25.6
509.30484	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	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98837	45.8
65.00333	0.8
69.13722	1.9
69.14128	5.2
71.01380	2.2
78.91885	2.2
85.02972	1.1
101.02450	2.0
107.01410	1.0
116.92904	0.8
133.02986	4.5
149.02441	1.3
151.00381	2.8
153.01889	0.9
161.04521	1.2
168.59912	0.9
172.73105	0.8
175.03952	1.1
189.02437	0.8
199.03984	1.1
284.03329	11.4
285.04074	100.0
286.04434	7.3
412.25769	1.5
413.25949	1.7
447.09387	28.6
448.09631	3.5
485.87585	0.9
509.29807	1.1
510.29904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61825	0.7
61.80192	0.8
61.98842	7.2
65.79556	0.7
68.35389	0.7
77.63302	0.9
83.01340	0.8
88.12834	1.0
90.75963	0.8
92.91156	0.7
97.19164	0.8
98.22039	4.5
107.01395	1.1
117.75206	0.8
133.02969	2.2
149.02507	0.8
151.00365	2.6
199.04037	1.4
215.76312	0.8
217.05186	0.8
222.53168	0.7
227.03648	1.1
256.03766	2.3
284.03314	42.1
285.04086	98.1
286.04398	6.8
447.09393	100.0
448.09561	8.6
451.32990	0.9
524.46027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34251	0.8
54.88786	1.0
59.01374	3.8
61.98844	5.2
71.01382	1.6
89.02412	1.3
110.00114	2.9
125.02524	1.2
133.02997	5.2
140.01161	1.3
151.00424	4.2
153.01958	10.0
154.02362	2.9
163.04121	1.1
175.04050	2.9
199.04060	2.0
243.03140	1.2
256.03824	2.0
284.03296	8.8
285.04086	100.0
286.04440	6.8
294.88812	1.1
329.23267	4.3
330.23495	2.3
388.82809	1.3
447.09363	48.4
448.09677	6.4
452.58801	1.2
510.29620	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	510.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47862	0.9
51.78442	1.0
69.78928	0.8
70.78238	2.4
71.96627	0.8
78.95918	20.9
91.39807	0.9
122.00141	1.4
124.38257	1.1
130.21710	1.0
138.92168	1.3
140.01216	6.7
152.99619	2.1
196.03789	9.1
214.04906	1.4
219.69249	1.0
228.51547	1.0
235.94104	1.0
252.55533	1.1
255.23312	100.0
256.23642	7.0
284.03134	1.5
285.04025	2.2
313.18988	1.0
340.26563	0.9
352.94864	1.1
425.01242	1.0
447.09579	2.6
452.27863	48.0
453.28186	3.7
510.23618	14.3
510.30951	1.1
511.24799	1.3
511.34198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.9
61.98819	1.9
68.98295	7.7
68.98716	4.2
69.30388	1.5
71.01389	2.3
74.48071	1.2
79.88512	1.2
85.02977	1.3
89.02460	2.2
90.37267	1.2
96.06314	1.1
98.21751	2.4
107.97729	1.1
109.02982	1.5
121.02953	2.0
132.26698	1.4
136.01682	26.6
137.02132	1.4
143.03488	1.3
149.02501	6.2
150.03181	1.6
151.04022	28.4
153.01945	1.8
164.04836	4.2
165.05516	1.8
178.76389	1.3
179.07164	7.8
199.03975	3.3
200.04839	2.6
211.03867	1.3
227.03537	3.5
228.04266	9.4
239.03560	1.3
243.06703	2.6
256.03757	12.5
270.05334	2.0
271.06146	54.8
272.06552	3.5
285.07675	4.8
286.08493	41.0
287.08911	4.6
295.69205	1.2
300.09933	1.7
301.10855	100.0
302.11319	7.6
349.12930	17.2
379.34036	1.5
463.16055	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	511.2556
Annotation	Andrographiside
Peak:m/z	Relative Intensity
55.01883	1.3
57.03451	0.5
59.01388	8.1
61.98838	4.9
64.53861	0.4
71.01030	0.7
71.01389	8.4
71.26599	0.6
72.99316	1.1
73.02953	4.3
75.00898	0.6
78.95905	0.8
83.01395	2.6
85.02964	5.1
87.00896	1.6
89.02449	2.2
91.30038	0.4
95.01409	1.1
96.96037	1.2
96.96988	1.4
99.00893	1.5
101.02455	7.1
111.00915	0.7
113.02449	3.0
115.92154	0.4
117.01805	0.4
119.03488	0.6
120.55083	0.4
125.02495	0.6
134.03748	1.8
135.04587	0.8
137.02408	0.6
147.04453	0.4
149.06119	1.0
150.03252	0.6
161.02487	0.5
161.04510	0.5
165.05598	0.9
174.99298	0.5
191.05649	0.7
191.07292	0.5
193.05077	1.2
195.06636	0.6
197.04666	0.5
216.78053	0.4
249.06023	0.6
252.97798	0.4
285.18460	0.7
301.11377	0.4
305.21280	0.9
321.46225	0.6
349.20078	2.0
393.15604	1.3
437.10406	0.5
509.23898	1.0
511.25592	100.0
512.25922	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20925	1.2
58.07523	1.2
59.01389	19.5
71.01394	26.4
72.11018	1.2
72.99321	64.8
78.95921	17.9
85.02961	2.4
89.02457	17.5
90.97195	1.7
96.96983	21.0
101.02454	6.0
109.02957	1.5
113.02457	7.1
114.99593	2.1
115.00400	33.0
118.96609	3.8
119.03536	6.6
131.03584	1.9
133.01459	100.0
143.03534	1.4
152.06267	1.5
152.95982	54.7
161.04591	1.8
170.90306	12.7
170.97052	96.5
171.00594	8.0
171.97359	2.8
179.05663	7.4
186.99225	1.7
188.97163	2.4
230.98268	20.9
291.00211	2.6
339.05042	1.5
341.10986	37.3
342.11377	2.6
513.08368	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	513.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.8
61.98838	18.1
68.99815	3.2
71.01389	5.0
71.26190	1.7
72.99282	1.8
75.00884	1.6
81.03468	1.5
83.01376	5.2
85.02947	6.1
87.00854	1.5
89.02415	1.4
89.03970	3.4
93.03456	5.4
95.01414	2.2
96.92750	0.9
96.96022	2.2
99.00897	3.7
101.02435	3.0
111.00831	2.2
111.04488	2.7
113.02522	5.1
113.99587	7.3
115.00376	4.0
115.92109	1.1
117.03488	10.2
125.02454	3.7
127.00364	2.7
129.01973	1.7
133.02882	1.3
134.03758	100.0
135.04089	2.8
139.00372	3.0
147.04562	1.2
149.02429	2.3
149.06093	8.0
157.01421	3.5
159.51677	1.2
161.02460	3.4
163.04070	1.4
165.05460	1.6
169.01428	1.2
173.04535	3.2
174.01678	3.8
175.02568	1.4
175.04071	1.1
178.02788	1.5
187.67570	1.0
191.05528	1.7
193.05083	67.2
194.05405	2.5
208.03876	1.3
223.06114	1.2
242.05760	1.1
277.05615	13.9
319.06693	1.7
321.04126	1.3
337.07797	85.0
338.08173	4.7
349.07803	2.0
367.08740	3.0
391.79050	1.0
419.18417	1.6
513.12579	37.4
513.19611	1.4
514.12799	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.6
55.71296	2.5
57.03466	2.5
57.24223	2.5
59.01388	61.7
59.38061	2.7
61.38553	2.8
61.98835	4.2
69.19324	21.3
69.19714	5.5
71.01389	52.2
72.99318	4.8
73.02947	9.5
78.31027	2.5
80.05106	3.7
83.01390	5.4
83.05063	3.4
83.95993	2.8
85.02962	17.8
87.00890	13.0
89.02462	29.8
95.01427	3.7
96.62595	2.7
99.00874	3.2
101.02449	40.4
108.04630	4.2
111.00931	2.6
113.02486	18.2
119.03545	12.2
121.05405	4.0
122.06165	14.1
131.84433	2.4
136.07698	4.1
138.05652	7.6
143.03543	3.1
148.04076	3.8
149.04832	3.5
150.05672	6.8
151.69832	2.7
159.06819	2.9
161.04643	6.6
163.19333	3.0
165.04279	4.1
165.05652	2.9
166.05144	8.4
172.07635	3.0
184.11412	4.3
191.05623	3.5
202.12447	10.5
204.06627	7.3
216.06741	8.0
216.09003	3.0
217.07545	5.2
229.09897	9.1
231.09172	4.4
231.11417	29.1
232.11780	3.2
246.11368	13.8
269.91650	2.9
270.10214	3.2
271.10898	37.5
295.05835	3.1
295.75485	2.8
338.70535	2.9
339.05051	9.3
346.11722	6.3
351.20328	33.2
397.13931	6.8
451.17252	46.9
469.18585	8.1
495.16357	12.0
513.10938	6.4
513.17535	100.0
513.25464	19.3
514.17834	11.2
514.25140	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	513.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.3
59.01389	92.3
61.41246	4.2
61.83907	4.2
61.98824	17.7
69.28266	33.8
71.01391	87.9
72.99326	5.1
73.02943	13.0
83.01395	16.3
85.02961	32.6
87.00883	17.7
89.02451	54.7
91.14917	4.2
92.22664	4.4
92.81537	4.7
95.01409	5.2
98.21831	4.7
99.00877	6.0
101.02456	66.7
111.00875	10.8
113.02462	33.5
119.03530	25.1
121.05363	6.4
122.06168	23.0
129.01952	4.7
134.03708	5.1
138.05605	6.7
145.01404	6.8
148.04076	5.3
150.05696	8.7
161.04607	12.6
163.04048	4.8
164.04796	8.7
165.05586	17.4
184.11295	11.9
188.07213	6.0
191.05525	5.6
193.05035	5.2
195.06691	20.6
200.09424	11.7
201.09714	10.3
202.12421	15.9
204.06641	7.8
208.03812	5.2
216.06679	7.1
216.08907	5.0
223.06067	9.1
228.10255	4.9
229.09891	15.5
231.09354	6.7
231.11356	38.2
246.11359	17.8
253.09882	5.4
263.07428	31.3
269.34259	5.3
270.10089	5.0
271.10922	44.2
274.19678	4.6
294.97495	4.3
295.05225	4.7
307.06491	17.4
346.11380	8.3
351.20273	32.1
381.16055	14.8
397.13788	11.8
426.16980	5.2
451.17307	37.0
469.18387	5.4
495.16284	12.4
513.17285	100.0
513.25507	63.4
514.17383	13.7
514.25293	8.6
527.20544	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	513.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.5
59.01384	6.8
63.39846	0.3
70.46194	1.0
71.01393	5.4
71.86804	0.4
72.67535	0.3
72.99316	0.4
73.02946	1.3
76.25799	0.3
78.95911	2.6
83.01395	0.4
85.02967	1.6
85.98988	0.4
87.00870	1.1
89.02456	3.2
96.83234	0.4
101.02464	4.6
113.02479	2.1
119.03484	1.3
152.99612	3.2
161.04567	1.5
179.05687	0.5
181.71742	0.3
194.41452	0.4
205.46423	0.3
222.77409	0.4
235.08252	1.0
253.09322	16.2
254.09479	0.7
259.20615	0.4
263.47812	0.4
277.21756	100.0
278.22104	7.5
349.02448	0.4
418.87833	0.4
431.22388	0.6
505.17163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03439	0.2
58.00573	0.3
59.01382	6.9
59.56452	0.2
70.79005	0.2
70.79329	0.3
71.01390	4.9
72.99290	0.2
73.02963	0.9
83.01396	0.5
83.05001	0.2
85.02958	1.2
85.25306	0.2
87.00885	0.6
88.80803	0.2
89.01900	0.2
89.02454	4.3
91.04063	0.3
95.01407	0.5
98.21873	0.2
99.00912	0.3
101.01825	0.3
101.02461	4.4
101.03121	0.3
102.02808	0.2
103.04038	0.2
107.21424	0.2
113.02463	2.1
119.03537	1.1
125.02422	0.3
127.07661	0.3
133.05096	0.3
143.03500	0.4
161.04581	1.7
168.83394	0.2
179.05598	0.8
233.22758	0.3
235.08235	0.9
253.09314	15.3
254.09683	0.6
259.20639	0.2
275.20129	0.2
277.21744	100.0
278.22101	7.6
405.49228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3228
Annotation	Globostellatic acid D
Peak:m/z	Relative Intensity
59.01393	39.3
68.63918	3.3
69.14508	16.5
69.14933	12.1
74.30767	3.5
112.16337	3.6
116.26572	3.0
173.45860	3.5
206.10197	3.5
291.23386	3.9
381.24423	17.8
383.26004	25.0
399.29068	100.0
400.29300	10.3
413.26871	4.3
443.28183	6.1
453.30435	7.8
469.33237	32.5
470.33566	4.1
513.31812	67.7
514.32501	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	514.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98837	100.0
63.46803	0.2
65.73356	0.3
66.21526	0.3
67.96811	0.3
68.99346	0.7
68.99765	2.0
71.01404	0.7
71.12573	0.3
83.01395	0.3
84.04307	0.3
87.00910	0.6
89.02457	0.5
93.03523	0.4
98.21722	0.6
101.02483	0.4
102.96854	0.2
109.03027	0.3
113.02548	0.3
125.02515	0.4
137.82051	0.3
142.59035	0.2
151.00436	0.4
154.01488	0.3
164.34578	0.3
171.00946	0.3
191.05704	1.1
203.26277	0.3
226.99875	0.7
264.87125	0.3
271.23712	0.3
324.02997	0.3
325.03629	1.7
353.02957	1.3
515.08185	4.1
535.97205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54652	14.7
59.01390	75.7
61.98827	29.4
69.29185	100.0
79.02808	11.9
79.08305	13.3
90.24903	11.5
118.52979	16.6
122.70976	14.6
199.54912	12.2
423.29095	35.8
426.40845	13.8
441.30243	44.8
441.47910	12.5
454.26309	19.2
471.31082	16.1
496.27597	15.0
514.28040	90.6
515.29272	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
57.91980	0.2
59.01383	2.9
61.98837	100.0
68.40736	0.2
71.01398	1.0
81.66123	0.2
81.77464	0.2
83.01429	0.2
87.00909	0.6
89.02478	0.8
99.04523	0.3
101.02486	0.8
113.02486	0.5
119.03521	0.4
161.04613	0.4
229.02200	0.3
261.93875	0.2
454.33994	0.3
515.16016	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	514.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79794	7.0
59.01386	36.5
60.46872	7.7
71.06522	10.4
72.67395	8.3
76.38949	5.9
78.95911	21.9
91.39388	5.8
94.54597	7.9
95.67315	6.6
97.06532	8.0
127.29083	7.3
150.70026	7.3
152.99622	33.9
153.28682	6.6
169.16040	6.8
184.84869	6.5
198.60332	6.1
279.23248	13.5
310.93570	7.1
313.95801	6.9
411.32510	9.1
416.50854	7.7
433.23871	7.6
471.34818	100.0
472.34918	15.3
487.57773	6.6
514.36218	11.9
515.33929	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13330	5.1
59.01387	72.5
62.57413	3.5
71.01390	53.1
71.25542	5.7
72.99304	14.1
73.02948	11.9
78.95912	19.0
83.05009	6.7
85.02962	17.8
87.00881	9.8
89.02448	54.4
93.03482	45.3
96.96988	38.9
99.00898	4.3
99.04527	6.9
101.02462	21.1
110.73149	3.7
111.04535	16.9
113.02459	18.3
115.00381	7.4
119.03516	21.3
120.91703	3.6
131.08284	71.7
133.01453	20.6
135.04533	42.5
137.02441	7.2
142.99855	14.4
154.95831	8.8
155.03578	8.5
161.02452	13.9
161.04546	7.5
172.90013	23.4
172.96863	7.5
173.04570	63.4
173.10518	45.3
179.03477	30.2
179.05713	23.4
191.05641	75.7
235.83299	4.3
323.07816	6.0
341.11053	100.0
342.11014	6.5
352.00540	4.2
353.08829	8.5
515.14349	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	515.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64861	3.2
59.01385	53.7
60.35572	2.9
70.42442	10.4
71.01388	38.8
72.99311	10.4
73.02949	6.5
75.00871	4.8
78.95913	10.9
85.02982	10.6
86.63069	3.5
89.02451	45.2
93.03457	18.2
96.96975	22.0
99.00931	4.5
99.04567	3.5
101.02483	16.4
104.25780	3.1
111.04538	7.8
113.02486	15.7
113.97814	3.3
115.00294	3.9
119.03519	14.4
131.08289	21.0
133.01448	5.9
142.99872	18.6
143.03529	4.4
161.02505	3.8
170.97185	4.3
172.89989	15.9
172.96906	7.3
173.00967	5.4
173.04559	35.0
173.10480	15.1
174.22368	3.7
179.03552	3.0
179.04216	4.2
179.05615	30.6
191.05643	6.6
208.15788	3.3
341.10950	100.0
437.27689	3.4
496.40271	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	515.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92809	0.5
59.01375	1.6
61.01059	0.5
61.98831	0.6
67.01888	2.0
69.94466	0.7
69.94860	1.3
71.01375	1.1
81.03458	0.6
83.05052	0.7
85.02952	4.8
85.08886	0.5
87.00865	3.3
92.39874	0.5
93.03469	13.2
94.03835	0.5
96.96032	1.1
107.05046	0.5
111.04531	1.7
115.06824	0.5
127.04031	1.2
133.02954	1.3
134.03737	0.9
135.04543	30.8
136.04863	1.2
155.03484	0.6
161.02473	4.1
161.56125	0.5
173.04568	5.2
179.03510	12.4
183.27423	0.5
191.05629	100.0
192.05997	2.6
247.50140	0.5
250.10248	0.5
282.76254	0.5
288.48685	0.5
323.07813	1.3
341.08810	5.1
353.08798	12.1
395.09882	0.6
515.14063	16.7
516.14288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
57.05676	0.6
57.65558	0.5
59.01371	1.0
60.52172	0.7
65.21427	0.6
67.01868	0.9
69.64228	2.6
71.01381	1.6
79.44042	0.6
82.95421	1.8
83.05037	1.2
84.95152	0.9
85.02963	9.9
87.00868	3.9
93.03474	6.8
96.42186	0.6
99.11475	0.6
101.02456	0.6
109.02951	1.5
111.00880	1.1
111.04547	2.1
112.98799	0.8
117.03489	1.5
120.93593	0.7
125.37111	0.5
127.04025	3.1
132.02185	1.6
133.02957	8.3
135.04550	10.2
160.01744	2.5
161.02461	47.7
162.02788	1.8
162.83914	0.9
171.02914	0.8
173.04539	5.7
179.03502	9.3
191.05637	100.0
192.06004	2.9
197.04547	1.6
323.07758	42.0
324.08069	2.4
341.08783	5.2
353.08514	3.0
515.14160	23.2
516.14374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
60.99287	0.5
61.98788	0.3
66.46421	0.4
67.01894	2.4
69.03469	0.7
71.01374	1.6
73.80086	0.7
83.05034	0.9
85.02962	5.6
87.00878	3.9
93.03471	18.1
94.03820	0.6
98.21693	0.6
99.04571	0.4
101.12579	0.4
109.02974	1.1
111.04536	2.2
127.04034	1.4
129.01973	0.7
133.02943	1.7
134.03757	0.7
135.04546	16.9
136.04829	0.6
137.02531	0.6
141.81856	0.4
150.57906	0.4
155.03571	0.6
161.02460	8.2
173.04564	4.8
179.03516	14.9
180.03859	0.4
191.05630	100.0
192.06009	3.0
323.07852	0.7
353.08823	12.4
354.09158	1.2
368.83276	0.5
395.09903	3.2
515.14093	45.9
516.14496	4.8
516.27020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04771	0.7
56.38760	0.8
57.03438	1.3
57.19378	0.7
59.01374	2.2
60.99320	0.9
61.98824	1.2
67.01890	3.6
69.03455	0.8
70.12308	0.7
70.60244	1.0
70.60547	1.3
71.01364	2.8
72.16476	0.7
81.03449	1.3
83.05027	0.8
85.02949	3.2
87.00886	1.1
93.03467	26.2
109.02940	1.4
111.04533	5.1
127.04044	1.1
128.29922	0.7
133.02986	1.4
134.03787	2.0
135.04536	79.8
136.04863	2.6
137.02451	4.8
155.03500	3.5
161.02472	6.1
173.04564	55.1
174.04863	1.7
179.03511	100.0
180.03870	3.6
191.05621	38.1
207.86775	0.8
213.01540	0.9
221.04539	1.2
323.07794	2.2
341.08792	53.1
342.09213	3.2
353.08762	9.1
395.09872	0.9
515.14124	39.9
516.14563	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	515.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41643	0.5
59.01396	2.4
62.02434	0.5
62.35471	0.5
67.01907	0.5
71.01374	1.9
72.66718	0.5
81.03447	0.5
85.02962	10.9
87.00881	2.8
87.12954	0.5
88.04044	0.5
93.03466	4.6
99.00912	0.7
99.04525	0.8
109.02972	1.1
111.04523	1.4
117.03479	1.0
127.04009	2.5
128.03564	1.0
132.02208	2.2
133.02077	0.7
133.02985	8.3
135.04565	2.4
143.04605	0.6
160.01637	4.5
160.94043	0.5
161.02461	53.0
162.02803	1.9
167.62411	0.5
171.02901	0.7
173.04572	1.5
179.03514	3.9
183.02934	0.5
191.05635	100.0
192.05989	2.7
205.05064	0.6
224.84177	0.6
226.97096	2.5
241.99608	1.1
272.08902	2.0
323.07751	42.2
324.08005	2.6
341.08768	1.9
353.08914	3.1
515.14099	27.8
516.14270	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	515.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76257	0.4
55.38519	0.4
57.03462	0.8
59.01383	4.3
59.42763	0.5
62.50174	0.5
67.01888	3.0
69.03452	0.7
71.01392	3.3
73.02961	1.2
81.03010	0.4
81.03470	0.7
83.05035	0.6
85.02965	6.0
87.00893	3.5
89.02471	2.3
93.03467	17.8
98.22620	0.8
99.04494	0.7
101.02450	0.7
109.02946	1.0
111.04520	3.6
113.02461	1.4
119.03545	0.6
127.04012	2.1
129.01950	0.7
133.01422	0.7
133.02959	2.2
135.04544	22.8
135.78450	0.5
136.04831	0.5
137.02448	1.5
144.37363	0.5
154.95850	0.6
155.03560	1.5
161.02478	9.5
172.96796	0.6
173.04576	16.4
174.05003	0.5
179.03525	24.9
180.03860	0.9
183.23659	0.5
191.05644	100.0
192.05988	3.2
323.07727	4.4
341.08829	3.7
341.10925	1.4
353.08817	13.5
354.09152	0.8
515.14136	18.7
516.14410	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	515.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65942	2.4
57.03436	2.9
58.00602	12.3
59.01093	4.9
59.01385	100.0
61.98845	30.5
66.68759	2.6
71.01056	3.1
71.01390	19.9
73.02940	4.3
73.03978	2.7
81.03467	3.3
83.05036	25.0
85.02966	5.0
85.06602	27.2
87.00889	54.9
89.02458	12.7
93.03465	4.1
95.05042	36.4
97.06604	10.0
98.22569	5.3
101.02458	11.3
107.05057	8.8
109.81773	2.7
111.04555	3.8
113.02459	10.5
113.06097	31.5
115.07668	42.4
119.03490	4.3
121.01199	58.0
121.02021	4.9
123.02764	20.7
125.06104	22.8
133.01183	5.9
143.03487	3.0
143.07162	36.4
151.02278	12.8
161.04588	2.9
179.05655	2.9
191.05624	4.9
193.05045	4.0
213.43715	2.5
229.10570	2.8
247.07996	4.1
249.06120	8.0
265.09021	12.5
371.07889	5.7
455.23093	5.1
515.15363	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	515.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89641	1.0
54.20858	1.0
55.01889	1.1
56.98025	1.1
57.03452	3.7
58.00599	1.7
59.01385	100.0
60.01728	1.0
60.71970	1.0
61.98836	57.3
63.02392	3.6
68.62641	0.9
68.98861	6.1
68.99294	4.2
69.03466	1.0
69.04773	0.9
71.01390	41.8
71.62966	1.1
71.63350	1.1
72.97531	1.7
72.99303	2.5
73.02951	3.9
73.98317	2.6
79.70151	1.0
82.01922	1.1
82.03948	1.1
83.01392	3.1
83.05035	6.4
85.02955	12.9
86.99112	3.8
87.00876	17.3
89.02454	32.2
93.03471	1.8
95.01427	1.7
95.05021	5.6
98.22542	2.1
99.00922	1.5
99.04536	2.3
101.02464	24.1
109.01717	3.1
111.00953	1.2
113.02470	17.1
113.06107	15.1
117.03498	3.6
117.97322	2.2
119.03506	14.1
121.01170	1.5
123.02745	6.0
125.06101	2.2
128.03571	1.4
135.02798	1.5
137.00708	1.4
143.03548	3.2
143.07158	2.8
149.00749	1.0
149.04396	5.0
151.02252	18.2
154.99837	2.2
161.04587	7.2
179.05615	6.2
182.12946	1.5
191.05650	2.7
210.07625	2.0
239.15134	3.0
250.34935	1.3
251.07076	1.6
253.08693	1.6
257.16370	2.2
265.09106	1.1
283.04913	1.4
287.17328	2.5
309.63867	1.1
323.05701	4.1
335.09537	2.2
341.80093	1.1
359.13477	1.2
498.25662	3.4
515.15955	64.4
516.16333	7.5
516.25897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.27698	0.9
57.03436	1.7
59.01102	1.3
59.01386	19.2
67.01893	3.0
69.03455	1.6
70.44372	1.9
70.44733	2.3
71.01395	17.2
72.99297	4.3
73.02951	18.1
81.03458	2.8
83.01382	1.0
83.05038	8.0
85.02957	12.7
87.00877	4.5
88.39354	1.0
89.02455	17.6
93.03469	57.7
95.01393	1.3
99.00896	6.3
99.04509	4.7
101.02440	7.9
109.02864	1.0
111.00903	1.6
111.04537	19.5
113.02473	8.5
115.00376	1.2
119.03488	5.6
127.04012	1.6
129.01927	2.6
131.03481	1.1
133.01451	4.2
134.03760	1.3
135.01932	1.1
135.04538	20.7
137.02455	11.5
142.18910	0.9
143.03517	5.0
151.06166	2.1
154.95767	2.8
155.03557	9.8
161.02467	5.5
161.04588	2.1
170.96945	1.4
172.96817	2.2
173.04564	90.1
174.04889	4.2
179.03494	24.5
179.05606	12.0
191.05629	100.0
192.05989	3.0
341.11002	53.0
342.11243	3.7
353.08801	15.6
354.08893	1.1
426.10941	1.0
515.14386	21.0
516.14783	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01391	2.7
71.26894	1.8
73.02946	1.4
75.00882	2.8
83.01404	1.5
85.02947	1.9
86.28549	0.9
88.37710	0.9
89.02477	0.9
101.02455	2.6
113.02477	2.2
117.01900	1.2
168.64552	1.0
184.11504	0.9
221.10159	1.1
222.06400	1.1
238.40251	0.9
395.20786	17.8
396.21017	2.2
413.21881	4.0
455.22897	10.1
515.15833	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	515.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00588	0.4
59.01384	100.0
61.98842	1.2
62.73889	0.4
63.02415	1.2
71.01391	9.5
71.26315	0.8
72.99310	0.8
73.02964	2.1
73.98344	0.6
81.03471	0.5
82.95451	0.5
83.01418	1.5
83.05043	1.8
85.02961	3.0
86.99113	2.1
87.00886	27.9
88.01234	0.5
89.02463	6.2
93.03465	0.7
95.01411	0.7
95.04522	0.4
95.05020	2.1
99.04551	1.8
101.02450	6.0
101.03036	0.5
102.98663	0.5
109.01768	0.5
113.02458	4.0
113.03069	0.4
113.06091	3.9
117.03514	1.0
119.03532	2.5
121.01239	1.1
123.02748	2.0
127.05329	0.4
128.03616	0.5
135.03000	0.5
137.24278	0.4
143.03528	1.1
143.07170	0.6
151.02243	5.2
154.99864	2.5
161.04578	2.0
179.05685	1.5
200.14006	0.5
203.05681	0.4
210.07846	0.7
218.00923	0.4
241.10786	0.6
247.08025	0.6
251.13066	0.5
251.76483	0.5
359.13614	0.6
395.21075	1.3
413.21823	3.4
432.80289	0.4
455.22888	4.7
456.23770	0.7
468.00482	0.4
498.26218	0.8
515.15710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98080	0.7
59.01384	100.0
60.01727	1.1
61.46368	0.6
61.98838	2.8
70.82677	1.2
70.83007	1.1
71.01393	7.1
73.02951	1.9
80.20381	0.7
80.91714	1.8
81.02185	0.7
82.95422	5.8
83.01417	2.2
85.02981	3.0
87.00914	1.0
89.02455	3.1
93.03484	1.0
99.00931	0.9
99.04531	1.0
101.02443	5.3
113.02480	2.0
118.98142	0.7
119.03513	1.1
129.01994	1.1
133.01199	7.5
143.03502	0.8
149.04514	0.7
151.02264	8.5
154.99974	1.3
159.02951	1.0
161.04630	2.4
192.61882	0.8
208.52029	0.7
213.77481	0.7
265.09085	4.5
270.05060	0.7
285.04257	2.7
395.20828	10.3
396.21350	1.0
413.21939	5.6
419.43759	0.8
431.10162	1.3
455.22833	9.5
456.23367	1.0
457.21603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11414	0.1
53.52283	0.1
55.01883	0.3
57.03457	0.2
58.00603	0.2
59.01385	7.0
65.20855	0.1
69.02626	1.0
71.01392	4.4
72.40182	0.1
72.99329	0.4
73.02956	1.0
74.52489	0.1
75.00887	0.3
83.01399	0.6
83.05079	0.1
85.02967	1.3
87.00890	0.6
89.02455	3.5
89.90764	0.1
91.04060	0.2
95.01405	0.4
97.02979	0.1
99.00913	0.2
101.02460	4.1
113.02467	2.2
119.03513	1.1
125.02468	0.2
129.02008	0.1
131.03519	0.2
133.05128	0.3
143.03528	0.3
157.05167	0.1
161.04585	1.6
179.05620	0.4
201.33870	0.1
235.08275	0.8
253.09317	14.0
254.09647	0.6
261.22156	0.1
268.38715	0.1
279.23318	100.0
280.23657	6.9
390.27798	0.1
473.36407	0.7
515.33167	1.2
516.34198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3386
Annotation	Holstinone C
Peak:m/z	Relative Intensity
53.03310	1.7
59.01384	48.3
59.51191	2.4
69.15208	8.4
69.15630	7.3
71.01384	2.9
78.33723	1.8
78.95915	3.0
79.74192	1.8
94.23872	1.9
97.67506	1.8
101.02510	3.1
145.03011	2.0
145.29225	1.7
152.99669	6.6
193.16039	2.3
197.22911	2.2
217.16014	2.8
237.15170	2.4
253.09404	7.9
277.18240	5.7
279.23312	49.6
280.24011	4.1
340.71313	2.4
357.03281	1.9
381.24493	3.2
383.26001	3.9
384.26019	2.6
399.28897	15.1
400.29877	2.7
437.30957	2.0
453.34409	3.9
455.31888	4.9
457.73721	2.3
471.31073	6.6
471.36057	4.5
497.33017	4.2
515.34113	100.0
516.34430	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	515.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.0
70.31974	0.8
70.71856	1.4
70.72196	2.1
87.27517	0.8
183.13991	1.1
193.15961	1.0
213.84534	0.9
228.84210	0.9
398.71432	1.0
446.53482	0.9
453.10565	1.1
455.35614	5.7
456.35995	1.1
469.36768	1.5
471.38953	2.2
497.36566	3.4
500.56140	0.9
515.37573	100.0
516.37964	11.6
532.34991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24039	0.9
59.01387	50.0
61.66707	0.9
70.62251	2.0
70.62627	1.7
127.01652	0.8
169.28981	0.8
217.12396	0.9
243.50385	1.0
248.58275	0.9
249.14879	1.0
278.36862	0.9
308.28918	0.9
391.34079	0.9
409.34604	1.0
437.34247	5.9
455.35410	1.1
469.37021	5.7
481.32813	1.0
497.36545	22.6
498.36987	3.4
515.37567	100.0
516.38092	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	515.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79947	0.7
57.03453	0.6
57.48459	0.6
59.01386	91.5
60.01722	1.0
69.04927	5.7
80.65634	0.7
85.06609	2.3
91.16824	0.5
98.22534	1.3
134.35324	0.7
174.10455	0.6
207.17566	1.1
217.12349	0.8
249.71310	0.6
263.20264	0.6
264.91849	0.6
265.18216	2.4
327.27164	0.8
327.75403	0.6
329.28732	0.8
393.31879	0.9
407.33630	1.8
409.34955	2.6
411.32715	1.2
421.31332	2.2
429.37500	1.1
437.34274	6.8
438.34366	1.0
455.35510	2.1
456.35742	0.9
469.37100	8.2
470.37476	1.2
471.39175	1.1
481.33429	1.4
497.36462	29.2
498.36819	3.9
515.37592	100.0
516.37964	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	515.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01137	1.3
59.01384	14.4
60.77808	0.8
60.99307	2.1
69.79988	3.6
71.05023	3.5
206.27094	0.9
213.24196	0.9
263.63956	0.9
269.90625	1.0
303.25528	0.9
361.83386	1.1
395.33612	0.9
401.30862	2.5
409.34821	1.6
410.47165	0.9
411.36310	10.7
439.32385	2.4
453.34134	1.1
455.35437	9.4
456.35471	1.1
471.31671	1.5
471.38461	39.6
472.39166	5.8
487.34390	3.5
515.37463	100.0
516.37689	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	515.3745
Annotation	3beta-Acetoxy-11alpha,13beta-dihydroxyolean-12-one
Peak:m/z	Relative Intensity
50.99768	10.4
51.25916	10.4
57.01755	12.7
60.21757	12.3
69.02158	100.0
69.02583	32.5
74.78726	11.7
83.18315	10.9
91.78724	11.0
102.60776	11.5
112.37375	12.1
350.36929	14.6
515.37445	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	515.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07968	0.4
59.01386	17.6
60.77863	0.4
66.58485	0.5
69.08903	3.5
85.06608	1.4
92.89603	0.5
97.06601	0.7
98.22541	0.8
204.10512	0.5
221.19124	3.0
241.13501	0.4
243.44083	0.4
249.14964	0.6
277.18317	0.4
303.19760	2.2
304.19998	0.5
319.22784	0.6
331.22855	0.6
455.35306	6.4
469.36972	1.3
471.38513	9.2
472.38971	1.0
497.36526	3.0
498.36978	0.8
515.37500	100.0
516.37817	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25076	0.3
58.00187	0.4
59.01384	3.5
70.15778	1.3
82.29101	0.3
83.25048	0.3
85.70860	0.3
99.27632	0.3
146.39966	0.3
167.62666	0.3
189.12808	1.8
191.14427	2.4
191.68018	0.4
205.16011	3.6
207.17563	6.5
208.17995	0.4
264.69019	0.3
307.15607	0.5
307.19144	10.4
308.19537	0.5
309.20773	2.8
342.20804	0.3
360.44244	0.3
402.43768	0.3
455.35455	1.6
471.38504	16.4
472.38834	2.0
515.37469	100.0
516.37781	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	515.3749
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
59.01384	7.0
64.26071	0.9
69.37921	0.8
71.28655	1.4
76.67080	0.9
92.75526	0.9
94.61270	0.9
97.59383	1.1
117.13234	0.8
125.74168	1.0
140.06213	0.9
189.12880	1.3
191.14517	1.9
205.15973	1.5
207.17592	2.2
225.00766	1.9
293.07153	1.4
307.19193	3.1
308.19452	1.1
337.06668	1.0
353.73660	1.1
398.87924	1.0
455.35336	2.5
471.38425	11.5
472.38889	1.3
515.37494	100.0
516.37823	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	516.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
61.98837	100.0
69.52212	2.0
69.52641	2.4
70.77122	0.7
76.52711	0.6
88.82281	0.7
89.70853	0.6
160.84219	0.6
230.00981	0.6
231.64154	0.6
313.21857	0.8
449.76266	0.7
516.30743	1.1
516.72406	0.7
517.31812	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	516.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64182	3.8
61.98819	7.2
69.06814	41.5
120.14373	4.5
147.59622	4.4
212.43163	4.3
359.44778	4.7
377.79080	4.2
407.29678	24.0
423.29138	6.3
462.57367	5.1
473.32831	100.0
474.33188	9.9
513.75427	4.8
516.39764	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	516.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59645	0.6
54.55183	0.5
59.01385	15.6
60.01720	0.7
69.08033	4.6
71.01395	6.6
73.02950	0.9
75.00863	1.2
83.01379	0.9
85.02947	1.4
87.00896	1.1
89.02457	4.6
95.01435	0.7
101.02472	6.2
102.02798	1.0
113.02492	1.9
119.03513	1.5
125.02552	0.6
134.47682	0.6
152.99638	0.8
161.04611	2.4
162.04884	0.5
178.03625	0.6
179.05614	0.7
183.84860	0.6
235.08299	0.8
250.98587	0.5
253.09309	12.6
254.09657	7.9
255.09840	0.9
279.18808	0.9
279.23334	51.6
280.23679	100.0
281.21518	0.5
281.24084	4.8
291.93597	0.7
473.36493	9.8
474.36340	1.5
499.34021	0.9
516.34424	3.9
517.31842	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65589	0.4
59.01389	63.4
60.01725	0.6
61.98836	1.7
66.13428	0.4
66.63770	0.3
69.37114	2.8
72.56013	0.4
90.92258	0.4
90.97160	1.3
98.21780	0.9
108.67965	0.4
113.27519	0.4
115.08539	0.4
118.96672	0.9
119.72546	0.4
132.98218	1.4
157.03601	0.7
159.01505	0.8
174.99272	27.4
175.99654	0.5
201.02588	10.4
202.02747	0.8
217.00330	100.0
218.00705	2.4
338.36768	0.4
343.03705	0.8
350.95050	0.5
359.01508	10.9
360.01776	0.7
374.99261	53.6
375.99603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	63.0
61.80946	0.5
69.66512	2.0
70.54697	0.6
71.01385	1.1
73.02945	0.6
73.03328	0.5
76.20588	0.6
81.58395	0.6
85.99958	0.5
90.97144	1.7
92.17845	0.6
98.22478	0.7
102.91107	0.6
105.14181	0.6
109.02954	1.6
111.00898	2.1
113.02443	0.7
118.58564	0.5
130.25496	0.5
132.98206	2.3
135.04555	1.1
149.06113	2.5
157.03609	0.8
159.04521	1.3
161.06071	0.7
171.04480	1.1
174.99263	27.9
175.02527	1.4
175.04059	1.7
177.05573	0.8
179.03474	0.7
187.04065	1.5
189.05556	1.4
191.05624	1.9
191.07249	0.6
192.46530	0.6
193.05081	1.0
201.00833	0.9
201.02583	6.9
202.02879	0.7
204.13605	0.5
205.05229	0.6
213.05565	1.2
214.13214	0.6
214.96332	0.5
215.03543	4.8
217.00320	100.0
218.00670	3.4
221.04538	2.1
231.06696	0.6
275.05719	1.2
277.03311	0.5
298.99207	0.7
337.05569	1.2
359.01486	10.8
360.01730	1.0
360.97925	0.6
374.99265	51.4
375.99707	2.3
377.08746	0.9
383.09863	0.9
517.14282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.9
65.71131	1.0
66.13596	1.1
68.97711	12.8
68.99796	2.1
69.03402	1.1
69.27885	1.2
71.01397	5.7
72.99304	2.3
73.02935	2.4
75.00862	3.0
83.01369	2.4
85.02960	6.0
86.80141	1.2
87.00867	2.7
89.00314	3.3
89.02400	2.2
89.48260	1.1
91.01871	2.0
95.01366	2.1
97.02908	1.7
99.00861	3.3
99.04484	1.9
101.02392	3.7
101.13089	1.1
101.92221	1.2
106.00597	3.1
111.00848	3.3
113.02410	4.0
113.99594	9.5
115.00329	3.6
121.02973	60.6
122.03306	2.6
123.00797	1.3
127.00325	3.9
128.90163	1.4
129.01897	1.5
134.03745	10.1
137.02414	3.2
138.03159	2.5
139.00287	4.1
146.03659	1.9
149.02319	1.6
149.06050	3.9
153.05595	46.2
154.05843	1.4
157.01329	4.3
161.04469	4.8
161.05765	1.4
164.04773	4.1
165.05518	1.3
170.01439	1.1
171.88454	1.1
174.01593	3.2
175.02417	1.3
175.03908	1.6
178.02756	6.5
179.05632	1.5
179.07106	7.1
182.02155	2.6
187.13609	1.2
191.05585	2.2
193.01225	1.6
193.05080	22.1
197.04568	100.0
198.04825	2.9
201.79237	1.2
208.03717	2.2
223.05997	3.9
277.05670	12.9
319.55981	1.3
337.07764	43.8
338.07956	1.5
355.10474	3.7
517.11633	55.9
518.11957	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	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21716	1.6
59.01379	13.4
63.02387	2.3
66.89259	1.4
70.42999	3.1
70.43320	2.3
78.05997	1.7
83.01386	2.9
86.68108	1.7
101.09014	1.5
107.01400	3.9
129.41005	1.6
133.02974	5.1
134.03688	1.9
151.00383	6.5
173.29674	1.8
175.04088	2.6
199.03952	2.8
239.03621	1.6
250.66360	1.8
256.03714	5.4
283.02536	2.7
284.03296	85.5
285.04056	98.1
286.04410	6.3
343.21942	1.7
363.18152	1.9
379.60318	1.8
517.13495	100.0
518.14154	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	517.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.9
57.03439	3.0
58.00589	2.2
59.01385	100.0
64.22419	1.9
71.01390	30.0
72.99296	4.3
73.02942	7.1
73.18636	1.7
75.00880	2.9
83.01380	8.2
85.02956	13.8
85.93031	2.1
86.15756	1.9
87.00892	5.7
89.02459	10.9
95.01373	1.9
96.76030	1.8
97.02964	4.2
99.00882	4.5
101.02461	22.9
111.00994	2.0
111.11940	1.7
113.02482	12.7
119.03524	4.2
123.02697	2.6
129.01974	3.2
130.08775	1.9
131.03482	2.6
133.23427	2.3
135.03017	2.3
139.23404	1.8
145.01514	2.0
153.03828	2.4
154.99898	6.0
161.04561	6.3
165.04018	2.9
191.05634	4.3
243.12450	4.3
269.10269	5.8
311.11490	2.7
431.15616	22.3
432.15958	2.6
473.16681	4.1
517.16248	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	517.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
65.95786	5.7
70.80276	14.3
71.01385	23.4
71.30070	5.6
73.02920	5.9
84.11691	6.3
85.02964	6.3
88.22143	6.1
101.02458	8.0
113.02460	7.4
127.05164	5.3
394.74704	6.5
517.30487	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00629	1.0
59.01386	100.0
60.80563	1.2
61.98820	4.1
69.19398	5.0
69.19812	2.5
71.01389	14.9
73.02950	3.5
83.01394	1.8
83.29520	1.0
85.02965	3.1
89.02464	10.2
95.01400	1.2
98.22632	0.9
99.00832	1.7
101.02444	8.7
113.02467	6.5
119.03504	4.4
120.17402	1.0
142.02174	0.9
143.03534	1.4
156.93813	1.0
159.03023	1.2
161.04558	3.5
179.05594	1.2
190.05127	1.2
246.15210	1.3
258.00790	0.9
267.10733	2.4
285.04135	1.3
397.22348	2.1
415.23111	1.9
457.24582	1.6
484.10455	1.0
517.17871	1.4
517.30939	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3537
Annotation	Oogoniol-3
Peak:m/z	Relative Intensity
59.01388	3.0
59.51567	0.5
62.28601	0.5
62.72015	0.5
71.05025	5.3
74.61897	0.5
82.25844	0.5
98.21806	0.9
113.87997	0.4
115.76138	0.6
120.60148	0.5
121.22021	0.6
171.15807	0.5
379.30103	0.7
395.33286	1.4
413.34354	0.8
437.30621	2.0
439.32190	5.9
453.33838	6.4
454.34058	1.1
455.35358	42.6
456.35556	6.3
469.33441	0.9
473.36392	6.4
474.36563	0.6
487.34409	16.8
488.34708	2.0
499.34497	2.3
517.35376	100.0
518.35699	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	518.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
57.03458	1.4
59.01387	100.0
60.01719	4.6
61.98836	25.4
68.99821	1.2
69.71018	6.6
71.01388	21.8
72.01721	1.9
72.99298	2.8
73.02946	6.3
75.00886	1.6
77.03925	1.2
83.01382	3.4
85.02957	5.5
89.02451	11.2
95.01413	3.4
96.96013	1.5
99.00901	2.8
101.02454	14.1
113.02462	8.9
113.99630	2.9
115.00385	1.3
119.03512	4.9
131.03540	1.4
133.02989	2.6
135.04539	2.1
142.01674	5.7
143.03502	2.0
151.00328	2.9
161.04550	4.5
179.05612	2.4
191.05682	1.3
193.06599	27.7
194.06940	27.0
227.12868	5.7
277.05652	2.0
284.03278	11.2
285.04083	51.9
286.04404	5.9
340.10672	1.6
349.11182	6.5
349.61349	3.0
358.11627	20.5
358.61975	3.9
399.23883	2.1
417.24860	1.5
489.10403	7.8
509.14456	2.1
518.15497	26.6
518.31714	2.0
518.65570	15.4
519.31689	5.0
526.76093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05924	0.7
56.58669	0.8
57.03452	1.1
57.21273	0.7
59.01388	54.9
61.98839	100.0
69.03466	1.6
71.01392	21.7
71.13062	0.9
71.17290	0.7
72.99342	1.6
73.02956	25.0
75.00886	2.3
83.01411	6.8
85.02966	4.9
87.00876	1.8
89.02456	8.3
95.01421	1.5
98.22601	2.0
99.00928	1.6
101.02460	21.7
113.02462	10.4
117.35136	0.8
119.03523	4.6
131.03505	2.0
143.03560	2.5
143.04617	1.1
149.04587	3.3
155.03586	1.2
157.08691	1.9
161.04593	6.3
168.06960	0.8
179.05611	1.3
181.12389	3.4
189.12883	4.4
199.13394	2.8
249.06291	4.1
268.10855	1.1
269.17603	3.2
285.03885	0.8
296.69833	1.0
306.07715	1.9
313.14679	0.8
398.22858	0.9
517.33917	0.8
517.41870	0.8
519.24500	15.9
519.32678	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	518.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83714	1.0
59.01383	61.1
60.01714	2.2
61.98835	100.0
71.01389	17.1
73.02955	11.3
75.00879	1.3
75.02711	1.0
77.30688	1.1
83.01392	3.8
85.02961	4.2
87.00888	1.2
89.02453	9.5
95.01385	1.1
99.04527	4.2
101.02443	20.8
110.97262	1.6
113.02467	10.4
119.03534	3.1
131.03516	2.7
133.56445	1.2
137.09721	2.6
143.03526	4.4
149.04555	2.6
151.00597	1.0
161.04550	6.4
179.05614	1.6
203.05605	1.3
221.06686	1.6
229.10287	1.3
377.89578	1.1
383.38153	1.1
391.30182	1.3
504.31235	1.1
518.25745	2.2
519.32727	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	518.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01386	50.8
60.01699	1.2
61.98838	100.0
64.51098	0.8
65.19147	0.7
66.95721	0.9
69.30795	6.3
71.01389	15.7
72.99332	1.2
73.02955	17.1
74.54755	0.8
81.03511	0.9
83.01403	5.6
85.02969	1.6
89.02470	4.6
89.20356	0.8
101.02454	20.0
113.02483	7.0
119.03507	2.6
125.02444	1.2
130.08746	0.9
131.03513	2.5
143.03548	1.9
149.04625	2.9
161.04605	5.9
189.12874	1.6
269.04422	0.9
270.05133	1.1
375.26910	2.1
377.28564	2.5
379.29959	1.8
391.30148	8.6
407.29846	2.2
457.33273	1.1
518.30640	1.8
519.33368	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03458	0.4
58.00603	0.2
59.01385	100.0
60.24287	0.1
61.98838	5.0
69.03451	0.1
71.01389	4.5
72.99299	0.1
73.02949	1.5
73.11980	0.1
82.94484	0.1
83.01389	0.5
85.02958	2.0
87.00897	0.2
87.04523	0.7
89.02450	1.3
95.01395	0.5
97.03016	0.1
98.22544	0.4
99.00893	0.5
101.02452	2.4
113.02459	4.8
119.03533	0.4
125.02456	0.2
131.03535	0.2
143.03523	0.3
147.48936	0.1
149.04558	0.2
159.02936	0.2
161.04588	2.2
179.05740	0.2
200.90837	0.1
229.25999	0.1
255.19722	0.2
379.06293	0.1
399.23901	13.4
417.24954	3.7
459.26044	2.1
543.09058	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	46.0
60.01718	1.5
61.98838	100.0
71.01390	19.6
71.27145	2.2
71.42158	1.1
72.99307	1.3
73.02959	12.4
74.32841	1.3
75.00887	2.4
83.01398	6.1
85.02966	4.3
87.00869	2.5
89.02466	11.3
90.96302	1.2
93.03486	1.5
95.01398	1.5
98.02482	1.6
101.02457	16.3
102.02782	1.0
113.02451	8.9
115.76731	1.1
119.03516	6.8
120.10885	1.2
131.03557	1.5
143.03517	2.2
149.04579	1.4
154.99834	2.4
161.04639	5.8
179.05627	1.3
243.12268	1.3
285.04013	3.8
339.84760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
59.01387	16.8
60.01719	0.9
63.02396	1.3
71.01381	3.9
72.99310	1.2
73.02960	1.1
75.00880	1.0
82.05877	0.8
83.01384	1.2
84.95169	0.8
85.02945	1.3
87.00874	3.1
88.69118	0.8
89.02458	1.6
101.02414	2.0
105.03440	1.1
107.01380	2.4
109.02991	4.3
113.02473	1.7
115.07645	2.7
119.03535	1.0
121.02905	0.8
133.02975	7.2
134.03696	1.4
146.03769	0.9
147.04459	1.6
149.02441	2.0
151.00430	3.9
159.04503	3.7
161.02396	1.4
161.04582	1.1
163.04019	2.9
165.05595	1.1
175.04018	2.2
177.01927	1.2
191.05589	1.1
199.04091	2.2
227.03511	1.5
241.05042	1.1
249.06056	1.3
256.03763	2.4
269.08167	3.1
269.12286	1.1
284.03284	42.9
285.04071	100.0
286.04434	8.0
296.31384	1.0
297.04214	1.0
297.07590	1.4
309.07813	1.4
327.12259	2.0
353.06555	1.4
447.09357	73.5
448.09747	7.5
475.08890	2.9
519.19128	2.9
530.02118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1882
Annotation	(-)-Pinoresinol glucoside
Peak:m/z	Relative Intensity
54.43410	1.1
55.23766	1.1
58.00601	1.5
59.01387	67.1
61.98804	1.6
67.61186	1.3
70.38898	1.3
71.01392	38.0
72.99309	4.5
73.02935	4.8
84.95136	1.6
85.02956	8.6
87.00873	4.9
89.02460	38.9
92.80219	1.2
93.03456	1.6
95.01380	1.5
99.00853	1.5
101.02464	19.1
103.02241	1.4
108.02193	4.4
109.02950	3.7
113.02454	16.5
119.03511	17.7
121.02970	6.7
122.03767	2.3
123.04543	4.5
124.01678	1.4
130.08763	3.0
131.03438	2.4
133.02988	2.2
134.03755	3.1
135.04506	3.4
136.01682	79.9
137.02336	2.7
143.03505	3.5
145.02956	1.6
146.03676	2.0
147.04593	2.1
151.04034	100.0
152.04294	2.6
159.04457	2.1
160.05331	2.2
161.02484	2.9
161.04558	4.4
162.03290	2.5
163.03996	2.0
165.05550	2.2
174.03282	1.6
175.03955	2.5
175.07565	1.3
177.05568	2.1
179.03471	1.4
179.05640	9.1
188.04834	3.4
193.05125	1.4
203.07144	4.8
216.99623	1.6
226.66945	1.6
249.06068	1.7
263.07126	1.7
267.09915	5.1
269.12128	1.5
279.06638	1.5
294.08990	1.3
297.07773	2.4
309.11316	3.3
310.01663	1.2
311.12781	2.2
313.10809	1.9
339.12457	7.6
342.11050	5.0
357.13492	90.4
358.13919	6.7
415.23575	1.8
501.18753	2.1
519.18903	2.2
519.33875	1.8
520.17065	1.4
534.76263	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	519.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09104	1.9
53.25480	1.9
55.01871	3.0
57.03455	3.5
58.00611	4.5
58.99611	2.1
59.01388	100.0
60.01729	1.9
60.58855	2.4
61.98825	4.5
62.03055	2.0
71.01389	67.7
72.99310	6.0
73.01182	3.2
73.02952	8.3
77.19984	2.0
83.01400	3.7
83.35425	2.0
84.94398	1.8
85.02956	14.6
87.00892	32.4
87.11746	2.0
87.23554	1.8
89.02460	76.0
95.01385	5.6
98.22568	4.4
100.02395	1.8
101.02460	34.0
102.98630	7.2
103.02240	32.5
105.19736	2.1
108.02184	13.4
113.02450	23.8
113.03076	2.2
113.06054	2.6
116.92886	4.0
119.03519	29.8
121.02985	8.3
121.06665	2.4
123.04543	15.9
123.08208	3.2
123.14582	2.1
124.91718	2.0
124.95567	1.9
125.04321	5.4
131.03569	4.9
132.05794	2.4
141.76900	1.9
143.03566	4.1
147.04890	7.4
147.08138	10.9
149.04527	3.0
159.04533	2.0
160.05333	3.9
161.04561	5.7
165.09233	6.0
166.96346	2.0
179.05632	12.0
188.04857	4.5
203.07156	18.1
235.13379	4.1
249.06158	34.4
250.06592	2.4
251.11046	2.0
269.12347	14.4
281.08145	3.4
284.03296	3.1
285.03995	8.1
309.11249	5.2
339.12369	25.4
519.18829	22.4
519.32513	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	519.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43410	1.1
55.23766	1.1
58.00601	1.5
59.01387	67.1
61.98804	1.6
67.61186	1.3
70.38898	1.3
71.01392	38.0
72.99309	4.5
73.02935	4.8
84.95136	1.6
85.02956	8.6
87.00873	4.9
89.02460	38.9
92.80219	1.2
93.03456	1.6
95.01380	1.5
99.00853	1.5
101.02464	19.1
103.02241	1.4
108.02193	4.4
109.02950	3.7
113.02454	16.5
119.03511	17.7
121.02970	6.7
122.03767	2.3
123.04543	4.5
124.01678	1.4
130.08763	3.0
131.03438	2.4
133.02988	2.2
134.03755	3.1
135.04506	3.4
136.01682	79.9
137.02336	2.7
143.03505	3.5
145.02956	1.6
146.03676	2.0
147.04593	2.1
151.04034	100.0
152.04294	2.6
159.04457	2.1
160.05331	2.2
161.02484	2.9
161.04558	4.4
162.03290	2.5
163.03996	2.0
165.05550	2.2
174.03282	1.6
175.03955	2.5
175.07565	1.3
177.05568	2.1
179.03471	1.4
179.05640	9.1
188.04834	3.4
193.05125	1.4
203.07144	4.8
216.99623	1.6
226.66945	1.6
249.06068	1.7
263.07126	1.7
267.09915	5.1
269.12128	1.5
279.06638	1.5
294.08990	1.3
297.07773	2.4
309.11316	3.3
310.01663	1.2
311.12781	2.2
313.10809	1.9
339.12457	7.6
342.11050	5.0
357.13492	90.4
358.13919	6.7
415.23575	1.8
501.18753	2.1
519.18903	2.2
519.33875	1.8
520.17065	1.4
534.76263	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	519.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
59.01386	18.7
60.33482	0.3
68.73306	0.3
69.34238	0.4
70.27567	0.5
70.27901	0.7
71.01386	6.4
72.99317	2.5
73.02949	1.2
75.00881	29.6
76.01152	0.3
83.01388	0.8
85.02967	2.4
87.00893	0.6
89.02458	6.0
95.01390	0.4
98.21914	0.3
99.00887	0.9
101.02447	2.3
113.02440	1.7
117.01965	2.2
130.76155	0.3
135.03014	100.0
136.03354	2.0
147.04555	0.4
161.04611	1.4
164.07193	0.5
315.18176	0.9
349.21100	0.3
477.23480	0.7
477.30905	0.4
519.20990	0.6
519.31873	9.5
520.25812	0.5
520.32312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	6.3
57.03445	5.8
58.00584	2.3
59.01386	100.0
68.95400	14.0
69.03468	2.4
71.01390	67.0
72.99308	5.3
73.02959	20.1
75.00882	10.8
77.10603	1.1
79.56805	1.2
83.01389	13.2
83.46436	1.1
85.02959	36.2
86.10535	1.3
87.00890	4.7
89.02457	18.4
95.01400	5.7
97.02953	2.8
99.00888	9.2
101.02457	68.5
105.24390	1.3
113.02464	33.5
119.03524	6.0
124.01682	2.3
125.02457	5.2
135.03015	30.1
143.03503	5.7
159.03006	3.9
161.04575	22.2
175.19212	1.3
179.05597	2.8
184.82251	1.2
202.00636	1.2
315.18115	15.2
357.19125	3.2
459.29614	1.4
460.29071	1.9
477.23438	52.4
477.30313	2.6
478.23792	4.8
519.24615	4.2
519.31879	29.1
520.31775	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	519.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.2
59.01389	100.0
64.96394	4.3
71.01392	44.6
72.99322	4.2
73.02943	6.8
83.01422	4.1
85.02971	12.7
87.00903	4.8
89.02455	46.7
98.22552	18.9
101.02452	19.9
109.02946	4.7
113.02455	30.1
119.03506	15.0
123.04572	5.0
136.01680	11.2
151.04025	18.1
151.11287	3.8
152.18420	4.5
161.04601	7.3
170.45981	5.0
176.62822	4.6
179.05692	10.1
203.07117	5.3
229.76041	5.0
229.78020	6.1
240.43982	4.1
240.46523	3.8
339.12524	6.6
357.13403	15.1
397.08380	4.9
415.23322	23.8
416.23416	6.9
454.89539	5.2
519.18878	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	519.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74883	3.8
58.44627	3.9
59.01095	5.9
59.01385	100.0
69.19833	33.6
71.01392	30.5
72.99297	5.8
73.02948	9.8
75.00879	10.4
83.01379	7.1
85.02940	12.8
87.00883	17.9
89.02473	29.0
93.30769	3.6
95.01403	4.3
99.00934	3.6
101.02454	22.0
111.00870	8.6
113.02455	16.6
119.03503	7.5
126.86743	3.6
129.01958	4.2
134.03690	6.6
135.02989	4.5
147.03172	3.7
149.02409	5.5
150.03242	13.1
152.07144	6.7
160.01692	11.6
165.05624	12.9
173.06111	4.0
175.04034	15.4
186.86899	4.3
188.53537	4.0
191.05643	4.3
193.05017	6.8
195.03156	3.9
195.06654	12.1
196.06105	4.2
267.06763	6.2
285.13159	4.2
317.69257	3.9
323.07883	8.4
341.10336	7.4
401.18198	10.0
415.23138	8.2
490.93811	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	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08519	0.8
50.86512	0.9
57.53622	0.8
59.01385	100.0
60.01728	0.8
60.70576	0.8
64.48384	0.9
64.98892	0.8
67.22762	0.8
67.91328	0.8
71.01390	10.0
71.27132	1.1
72.99305	0.9
73.02946	2.8
75.93412	0.8
78.71930	0.7
83.01393	1.6
85.02962	4.0
87.00863	1.2
89.02449	3.4
92.09891	0.8
95.01395	1.3
99.00905	1.3
101.02454	7.2
101.73619	0.8
113.02487	5.9
119.03521	1.8
161.04581	2.9
215.76558	1.0
269.12180	1.4
285.04010	1.3
399.23898	21.2
400.24243	2.7
417.24927	11.8
467.59760	0.9
519.33813	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	519.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.06648	0.5
60.01720	1.2
61.98835	4.8
71.01385	4.0
73.02968	1.4
83.01394	0.8
85.02970	1.7
87.04521	0.7
89.02451	1.3
95.01454	0.5
101.02485	2.0
113.02459	4.2
116.08765	0.4
120.12677	0.4
129.17046	0.4
152.45134	0.5
161.04620	1.8
194.59921	0.5
332.54361	0.4
391.30557	0.6
399.23926	12.5
400.24445	0.5
417.24908	2.8
459.26190	1.7
519.24792	0.5
519.33209	2.1
548.65424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
64.92234	0.5
71.01394	6.1
73.02952	1.1
83.01418	1.1
85.02959	1.8
89.02481	2.2
98.21651	0.5
101.02438	3.7
113.02456	2.9
119.03505	0.8
125.29934	0.6
158.69582	0.7
161.04605	2.0
179.05716	0.7
195.47215	0.6
229.38658	0.6
329.67154	0.6
399.23834	6.7
400.24133	0.7
404.19806	0.6
417.24954	10.6
417.29666	0.8
418.25659	0.8
459.26318	1.5
519.33319	0.8
534.06580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85412	0.8
55.01867	2.1
57.03439	3.9
58.57479	0.8
59.01385	48.8
59.67929	0.8
61.98818	1.7
68.97728	9.7
71.01389	30.4
72.99308	2.9
73.02950	7.3
75.00492	1.5
75.00879	17.0
76.12091	0.9
83.01389	5.9
85.02953	12.3
86.00117	0.9
87.00888	2.1
89.02451	9.9
95.01393	2.9
96.96027	1.0
97.02950	1.3
99.00883	3.5
101.02454	19.1
111.00884	1.4
113.02474	9.8
116.92856	2.5
117.01971	1.2
119.03478	2.6
123.74207	1.0
135.03011	54.8
136.03369	1.1
143.03561	0.9
146.75787	0.9
159.02943	1.6
161.04553	4.9
169.86464	1.4
285.04047	1.6
307.06784	1.3
313.27524	2.1
329.85098	0.9
357.26651	1.2
412.23801	1.0
459.29535	1.0
477.23584	3.5
477.30289	1.5
519.31824	100.0
520.25269	1.3
520.32251	12.3
545.75226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3336
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
59.01387	2.6
71.01388	0.7
71.28764	0.8
75.69085	0.6
96.96027	0.5
110.91619	0.6
119.13910	0.6
121.06577	0.6
128.44954	0.6
135.80775	0.6
164.05840	0.6
173.06499	0.6
255.02982	0.7
260.88840	0.6
276.43713	0.7
299.29654	0.6
328.63120	0.6
361.25354	0.6
363.27133	1.7
375.26920	4.2
377.28598	3.9
378.28802	0.8
379.30051	3.4
385.16339	0.7
389.28687	1.4
391.30133	21.0
392.30579	2.1
395.29416	0.8
407.29660	5.7
409.31223	2.7
427.31921	1.0
435.29047	0.7
457.33710	2.9
473.32922	1.9
519.33423	100.0
520.33807	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	519.3333
Annotation	Alisol P
Peak:m/z	Relative Intensity
57.03453	1.8
57.09833	1.0
59.01385	14.2
61.98830	2.1
63.37742	1.0
69.19302	7.1
72.44456	1.1
77.51074	0.9
78.95918	1.5
96.92645	1.0
106.75803	1.5
118.97229	1.0
123.08176	2.5
128.13680	1.0
130.23096	1.0
133.29860	1.1
152.99648	3.2
193.16075	3.1
221.15445	1.3
239.16635	1.1
244.14764	1.9
267.59662	1.1
379.30264	2.2
395.33490	1.9
413.34183	1.4
441.30157	3.3
457.33414	16.4
458.34067	1.7
475.34839	6.4
476.71320	1.2
501.32208	4.4
519.33429	100.0
520.33826	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	520.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
61.98837	100.0
71.01398	3.0
71.26494	1.3
80.23967	1.1
85.02956	1.4
89.02452	2.9
96.00947	1.5
101.02450	2.3
109.02962	1.5
112.22148	1.1
113.02480	1.7
119.03505	1.0
127.05183	1.4
128.03558	1.3
135.02974	1.7
135.04503	1.1
159.04521	1.2
161.02478	8.3
166.21820	1.1
176.04820	8.6
179.03577	1.1
189.13322	1.0
191.05652	2.1
191.07173	7.5
193.05258	1.4
194.05818	2.2
201.97696	1.1
209.08208	23.5
285.11365	1.2
299.09320	1.4
313.10590	1.3
341.19693	1.9
344.12625	3.1
359.15082	9.5
373.09460	1.5
521.18121	3.1
521.25958	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	520.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43835	0.9
57.03444	1.3
59.01384	63.0
60.01717	1.4
61.98836	100.0
64.29876	0.9
71.01395	12.5
71.27732	1.2
73.02952	2.8
75.16550	0.9
83.01394	1.6
85.02965	5.9
87.00854	1.1
89.02455	5.7
90.74887	1.0
95.01404	1.9
99.00896	2.2
101.02443	7.1
102.76558	1.1
113.02465	4.8
116.92867	2.4
124.25214	1.0
143.03456	1.2
161.04555	2.6
199.48981	0.9
225.11800	1.1
254.10159	1.1
353.19678	3.1
359.27975	3.0
371.20657	8.9
413.21994	4.7
520.33679	1.7
521.33496	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	520.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.5
61.98838	100.0
64.90751	0.9
69.22267	6.5
71.01391	10.8
73.02956	7.2
77.51791	0.8
83.01403	2.4
86.98106	0.9
87.00927	1.1
88.04069	3.2
89.02454	4.0
95.01417	0.9
98.21804	1.9
101.02461	9.5
113.02477	3.8
119.03561	1.4
132.03082	1.2
143.03488	1.2
143.26450	0.9
161.04590	2.3
180.13924	1.3
201.95732	0.9
403.20279	1.1
520.23895	4.8
520.33417	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	520.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01386	51.9
61.81289	0.6
61.98837	100.0
63.33530	0.6
64.52832	0.6
71.01398	6.2
73.02966	2.2
85.02976	2.8
89.02473	1.8
93.88976	0.6
98.21703	1.0
101.02448	5.0
107.66838	0.6
108.71445	0.6
113.02488	2.9
119.03603	0.8
159.03064	0.8
160.84305	0.7
161.04613	1.5
208.58920	0.7
209.15546	1.1
353.19885	2.4
367.44604	0.6
369.04584	0.9
371.20810	8.3
372.21072	0.9
392.68787	0.6
413.21817	6.7
520.33850	2.4
521.33551	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	520.269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80348	0.8
70.64745	2.1
78.95913	49.1
96.96980	6.2
123.08166	0.8
150.98041	1.7
152.99606	100.0
162.83936	1.0
171.00703	3.7
433.23688	18.4
434.24176	1.7
507.96234	0.8
520.26697	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	520.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
60.12902	1.3
61.98837	100.0
64.61437	1.2
68.22279	1.4
69.10439	9.7
69.10858	3.3
70.08553	1.2
78.95902	3.2
97.65201	1.3
189.53629	1.3
193.90652	1.5
196.89540	1.6
197.47530	1.4
517.01587	1.4
520.04901	1.6
521.16180	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	520.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
69.46520	93.3
98.21777	16.2
101.88152	14.5
188.44600	15.6
201.20580	12.5
398.33780	20.4
464.07678	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79014	2.8
55.01862	3.5
57.03461	6.1
58.00579	3.2
59.01386	68.4
60.99303	10.9
61.98822	7.2
68.97226	34.0
71.01392	67.4
72.99314	8.6
73.02952	13.8
75.47646	2.5
83.01385	8.2
85.02965	33.4
87.00871	9.7
88.98299	6.4
88.98820	88.7
89.02462	37.5
98.21799	5.0
101.02457	43.3
108.02184	6.5
109.02975	3.7
111.00902	3.6
113.02469	24.6
119.03512	13.0
123.04574	3.1
149.02473	3.0
151.00488	4.4
152.01164	3.5
159.02988	3.1
160.05304	3.8
161.02406	3.8
161.04648	17.1
167.03531	3.4
179.05632	4.2
209.08269	3.6
229.18100	7.9
285.04083	5.0
299.68127	3.0
313.39420	3.0
341.13937	4.6
341.19922	4.5
359.28244	8.7
376.77902	3.4
391.23459	11.1
486.22733	5.7
521.20459	6.8
521.25793	5.3
521.33331	100.0
522.33643	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	12.0
65.24630	0.8
68.33621	0.8
71.01393	8.6
73.02964	1.1
83.01388	1.7
85.02960	2.5
87.00893	1.7
89.02453	6.7
93.03467	6.6
95.01459	0.9
95.05009	1.3
95.19846	1.1
98.21699	1.1
98.22384	5.7
98.39464	0.9
100.26919	0.8
101.02452	6.2
103.76273	0.9
107.05058	1.4
109.02967	1.9
113.02489	2.9
117.03476	2.4
119.03530	1.8
119.05047	2.1
121.02944	4.9
122.03772	1.3
123.04569	1.2
133.02980	2.4
134.03748	2.1
135.04546	3.8
137.02490	3.4
145.02971	7.6
146.03761	26.4
147.04497	4.1
149.02495	1.6
149.06099	2.1
150.03323	2.1
151.04025	40.8
159.04541	3.2
160.05281	5.5
161.02394	1.5
161.06090	9.1
162.03171	2.0
163.04018	19.1
164.04819	17.4
165.05273	0.9
173.06009	1.8
175.07617	5.4
177.02003	1.2
177.05675	2.4
178.06345	2.9
179.03523	100.0
179.07132	38.9
179.08765	1.7
179.10754	3.3
180.04298	41.8
181.05090	39.8
182.05426	1.7
189.05647	0.8
193.05104	10.6
221.04622	3.0
223.06235	2.0
223.09712	2.2
241.04919	1.7
295.09909	1.1
299.09085	1.1
313.10693	1.3
325.52859	1.0
329.10431	1.7
329.13947	23.9
329.17896	1.4
330.14502	1.4
341.09698	4.8
341.13876	2.1
342.09586	76.0
343.09900	5.3
344.12668	5.5
359.11301	7.0
359.15137	15.7
360.15497	1.1
403.16168	2.8
521.20648	30.0
522.20673	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99933	0.8
57.03441	3.8
58.00579	1.1
59.01385	100.0
61.86579	0.8
71.01389	13.0
71.04989	0.9
71.26679	1.3
72.99294	1.0
73.02935	2.7
85.02949	3.9
87.00883	3.8
89.02457	13.4
96.00944	2.0
99.00906	6.8
99.04507	1.8
101.02444	10.5
102.05615	1.1
108.02179	1.4
109.02960	1.0
111.00838	0.8
113.02485	4.9
113.03596	1.2
117.01920	1.8
119.03528	4.2
119.08666	3.6
121.03022	1.5
123.04507	1.8
128.03535	4.7
133.02939	1.4
135.02983	1.8
135.04555	1.0
135.08253	1.0
137.09749	5.0
143.03578	1.4
147.04533	1.4
149.02484	1.3
150.03247	1.4
151.03906	1.0
159.04515	3.2
160.05348	6.7
161.02411	3.4
161.04541	2.1
161.06029	3.3
163.03995	2.5
164.04813	2.4
165.05537	1.1
173.06053	1.6
175.07664	5.6
177.05568	2.1
177.95065	0.8
178.06331	2.0
179.03375	1.2
179.05696	1.2
179.10735	2.7
181.08743	10.1
193.08632	0.9
197.11841	53.6
198.12317	1.9
241.10849	40.5
242.11244	2.5
254.07121	1.0
269.04547	1.1
269.07724	0.9
297.08313	46.2
298.08380	2.2
299.09158	3.1
301.07065	1.8
323.07797	2.4
329.10770	1.1
329.13977	28.0
330.14264	2.6
346.46011	0.9
357.14777	1.3
359.14529	3.9
461.16788	1.2
486.18997	2.1
491.17245	1.1
503.21713	1.4
521.18781	55.4
522.18964	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	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
58.00586	2.3
59.01389	100.0
61.91804	1.3
61.98827	1.7
69.62914	1.2
70.51179	1.1
71.01396	30.8
71.27047	1.2
71.27480	2.4
72.74879	1.3
72.99315	4.0
73.02946	2.6
75.00883	23.2
85.02972	7.6
87.00882	4.6
89.02462	30.1
95.01402	1.8
99.00911	7.0
99.04539	5.2
101.02457	14.9
108.02253	2.2
113.02467	13.7
117.01952	3.0
117.03486	2.6
119.03519	10.4
119.04993	1.4
119.08702	3.6
122.03790	1.5
135.03023	70.0
135.08205	1.4
135.11812	3.7
136.03343	1.6
137.09769	3.1
143.03500	2.8
145.02965	7.6
149.04535	2.0
149.06137	2.0
150.03215	2.3
153.01875	1.6
161.02443	3.5
161.04587	3.7
161.06088	3.6
161.09790	2.2
163.03979	3.2
165.05606	4.3
172.05354	3.4
177.01892	1.7
179.05629	5.7
179.10803	34.1
180.11125	2.6
181.08720	9.3
183.33516	1.4
187.07635	3.1
191.05672	1.3
192.04280	2.2
193.05037	1.4
197.11874	35.2
198.12144	1.8
202.32579	1.2
223.09785	33.7
223.11833	2.7
224.10019	2.9
241.10846	45.9
242.11205	1.5
285.11172	2.0
297.08212	4.1
307.08279	4.8
313.07077	2.6
315.12454	3.4
327.09128	1.6
341.13123	5.8
341.19714	1.5
343.13986	1.4
359.11349	18.4
360.11624	1.6
403.16061	13.9
461.23633	1.5
477.21353	1.5
521.18768	99.0
521.25336	3.8
522.19006	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	521.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01385	69.3
69.19011	10.1
69.19347	1.6
71.01408	12.6
73.02953	1.8
75.00874	4.6
83.01377	1.4
83.05027	2.4
85.02970	2.2
87.00871	4.0
89.02457	3.9
98.21796	2.0
99.04505	1.7
101.02468	2.9
104.86731	1.1
105.72927	1.3
110.21936	1.2
111.04573	1.8
113.02470	3.3
115.00398	4.1
119.03542	1.8
121.02980	4.4
122.03866	1.3
123.00902	1.4
125.02480	1.3
133.01471	1.3
134.11311	1.2
135.03015	11.4
137.02487	1.1
137.06129	1.3
147.04480	1.8
149.02473	2.8
149.04517	1.0
150.03246	6.6
155.17969	1.0
158.03792	2.8
159.04567	7.4
160.05331	27.7
161.04706	2.0
161.06071	7.5
163.04047	4.3
164.04837	5.0
165.12720	1.1
173.06107	4.5
175.07668	23.2
177.05614	6.8
178.06369	9.7
181.12361	1.1
188.89931	1.2
192.07936	2.8
193.08719	1.7
207.13887	2.9
209.11852	7.3
220.15239	1.2
225.11414	6.3
225.14990	3.4
227.12930	31.7
228.13293	2.0
241.10846	1.8
267.12360	1.3
269.14047	5.9
285.13489	15.0
287.15051	48.9
288.15405	4.0
329.13974	100.0
330.14365	7.9
359.15021	2.2
403.16006	10.8
405.17722	59.9
406.17871	3.2
521.18872	15.0
521.26184	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03451	8.5
59.01389	76.6
62.74075	1.0
69.13337	4.1
69.13767	4.1
71.01388	5.9
71.05015	1.4
72.99295	1.4
73.02937	1.6
75.00877	7.6
83.01377	1.4
83.05035	16.1
85.02968	1.6
86.61312	1.0
87.00880	8.8
89.02451	3.9
97.06600	4.0
101.02469	2.5
107.05025	1.1
109.06582	2.4
111.04538	18.4
111.08167	2.3
113.02466	1.5
117.01981	1.6
123.08185	7.8
135.03009	18.6
141.05594	1.4
150.06856	1.1
163.11295	9.3
165.09221	7.5
171.19994	1.0
181.12320	5.0
184.52180	1.2
197.11882	6.3
207.10303	3.2
223.13400	15.1
225.11348	48.0
226.11696	2.1
241.14465	1.9
267.12402	5.3
281.08167	1.8
282.09033	1.3
283.09869	1.3
285.13452	100.0
286.13766	6.8
315.12268	1.4
326.11548	1.5
327.12512	1.6
355.11996	1.4
385.15311	2.6
403.16119	80.2
404.16357	7.5
473.14392	1.5
488.17023	1.8
491.19431	15.0
492.19754	2.2
503.19275	15.9
504.19995	1.6
521.18848	76.6
521.25629	3.3
522.19128	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	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03445	1.7
57.88673	1.1
58.00593	5.1
59.01385	100.0
65.79009	1.1
68.96233	7.1
68.96656	6.0
71.01389	61.2
72.99310	4.0
73.02956	1.7
83.01413	1.7
85.02966	7.2
85.42848	1.2
87.00881	5.9
89.02456	72.9
95.01414	3.4
98.22638	1.9
101.02454	34.1
106.03679	1.1
113.02465	24.5
119.03516	32.4
121.02930	1.6
131.03503	2.8
135.04543	1.3
143.03481	5.8
149.04549	1.7
159.04546	3.0
160.05309	5.3
161.04576	5.4
161.05853	1.4
172.05359	3.4
173.06093	2.8
175.07632	2.9
179.05634	13.0
181.05290	1.3
189.02972	1.3
189.05626	6.7
190.06441	6.6
202.83107	1.2
205.08752	4.9
281.08212	2.3
296.10519	3.6
311.12949	4.0
316.85205	1.3
329.13892	2.8
341.13965	21.8
342.14182	1.7
415.51123	1.2
521.20221	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
62.45420	0.6
69.35262	2.3
69.35685	2.3
71.01382	3.7
73.02947	1.2
85.02966	1.5
101.02469	1.6
108.02189	4.8
109.02946	0.9
113.02439	1.5
121.02981	3.4
122.03745	2.3
123.00866	0.8
123.04557	6.5
126.39442	0.6
136.05251	0.7
147.04549	5.4
149.02460	1.9
150.03253	5.3
151.03937	0.8
153.05559	1.1
158.03757	2.7
159.04514	8.0
160.05319	28.0
161.04649	1.1
161.06059	6.9
162.03186	1.1
163.04031	7.4
164.04811	6.5
165.05573	5.9
173.06076	4.0
174.06857	1.2
175.04153	0.9
175.07663	24.0
176.07990	0.9
177.05580	7.8
178.06367	8.1
179.03473	0.9
179.23578	0.8
192.07915	1.4
193.08691	3.0
205.05006	0.8
303.81760	0.7
323.07971	0.9
329.10550	5.7
329.13959	100.0
330.14313	8.2
341.10114	1.4
359.15057	4.1
491.15640	1.9
521.19537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03446	1.8
58.00575	2.7
59.01387	100.0
61.38694	1.4
69.29012	11.3
71.01389	56.5
72.99302	3.5
73.02950	4.3
75.00861	2.1
78.44460	1.7
83.01402	2.7
85.02956	10.2
87.00890	8.7
89.02452	68.6
89.34157	1.5
95.01418	4.7
99.00890	2.0
101.02450	30.8
108.02170	2.0
108.08242	1.8
111.00906	2.0
113.02460	23.2
119.03510	26.5
123.04533	2.4
131.03453	2.5
135.02975	5.3
143.03473	4.7
149.04611	2.8
159.04535	3.2
160.05327	8.4
161.04562	5.5
172.05283	2.1
173.06149	2.0
175.07637	6.6
177.05499	2.4
178.06384	2.1
179.05663	10.9
189.05586	4.5
190.06374	5.0
196.06229	1.8
205.08696	5.9
241.10855	3.0
261.18448	1.6
279.70676	1.8
285.13474	2.7
296.10532	2.7
311.12903	3.9
329.13931	17.0
334.97562	1.9
341.13992	23.8
342.14066	2.6
359.13470	5.7
403.19888	5.6
456.24606	1.7
469.48407	1.7
521.19354	4.1
521.26654	2.5
521.33160	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17318	0.8
59.01099	2.2
59.01385	41.2
59.18945	1.1
71.01389	9.1
71.28521	1.8
73.02962	1.4
74.14021	1.0
75.00883	2.1
83.05035	1.0
85.02962	1.7
87.00892	3.0
89.02449	1.8
93.03445	1.1
99.00898	1.1
101.02451	3.8
109.48809	0.9
113.02470	1.4
115.00379	2.3
121.02949	4.0
133.01416	1.7
135.03035	7.5
136.05287	1.2
145.02878	1.2
147.04549	1.2
149.02437	2.6
150.03273	5.2
155.03551	1.1
158.03783	2.1
159.04546	7.9
160.05318	25.4
161.04694	1.6
161.06070	8.1
161.18521	0.9
163.03986	4.6
163.11360	1.5
164.04823	4.6
169.59370	1.1
173.06084	4.5
175.07658	25.8
176.07951	1.3
177.05560	6.8
178.06372	8.9
192.07999	1.5
193.08730	4.4
197.11893	1.6
209.11836	3.4
225.11324	3.1
225.14966	1.8
227.12903	15.7
228.13321	1.2
241.10736	1.5
269.14017	4.6
285.13461	8.5
287.15015	25.5
288.15576	1.5
329.13959	100.0
330.14206	7.2
359.14795	2.3
362.11310	1.2
403.15964	5.6
405.17657	28.5
406.17914	2.2
503.68817	1.0
521.18896	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76126	5.5
54.90372	6.1
55.47980	5.7
59.01380	25.9
61.98840	13.2
69.11918	15.2
69.12326	45.9
70.52391	6.6
71.42455	5.6
143.39764	5.9
167.67378	6.0
171.68355	6.6
431.32202	6.6
441.33447	11.0
443.62888	8.1
521.35767	100.0
522.34875	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	521.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	1.9
58.00589	3.0
59.01385	100.0
60.01718	1.1
65.18307	0.8
66.21024	1.0
67.47694	1.0
69.03453	1.0
69.09676	9.4
69.41640	1.0
71.01391	31.3
72.99313	3.2
73.02959	5.8
75.00874	2.7
83.01390	3.1
85.02958	10.6
87.00877	5.6
88.98823	1.4
89.02459	24.3
95.01398	2.5
99.00910	1.4
101.02457	18.8
103.90549	1.0
105.07127	1.5
107.08701	1.0
109.02973	1.3
113.02463	11.7
115.00423	1.2
119.03513	7.9
123.08231	1.1
125.02462	1.5
131.03500	1.4
135.03075	5.0
143.03543	1.0
145.02982	3.2
150.03201	1.5
161.04564	3.6
165.05585	2.5
179.05663	4.4
179.10757	2.2
181.08760	1.3
191.05634	6.2
197.11797	1.8
221.06680	2.4
223.09845	1.5
225.11211	1.3
227.13046	1.7
241.11014	1.1
267.06763	1.0
281.08301	1.7
285.13425	2.3
287.14960	6.6
299.09216	1.2
323.18716	6.1
326.11676	2.0
327.12570	1.3
341.19742	15.4
342.20175	1.8
347.17389	1.5
359.13644	1.8
374.89154	1.1
403.16061	2.8
405.17780	4.4
473.14667	1.3
491.19504	11.7
492.19693	2.0
503.19254	9.9
503.25369	5.1
504.19815	1.7
521.19550	6.3
521.26178	97.0
522.20251	1.5
522.26666	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	521.2761
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
53.00562	0.7
53.86328	0.7
54.89808	0.8
59.01384	4.9
59.83701	0.6
62.51936	0.6
70.40092	2.0
71.01385	1.2
78.59241	0.7
98.21729	0.7
121.39655	0.7
137.24617	0.7
207.31433	0.7
281.70065	0.7
290.02829	0.8
290.05911	0.8
317.21259	6.0
378.40070	0.8
461.25552	10.2
479.26587	13.7
480.26672	1.2
520.12524	0.8
521.27502	100.0
522.27789	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57010	0.5
55.01879	0.9
57.03452	2.4
58.00602	1.0
59.01384	100.0
60.01722	2.3
61.01808	1.5
61.98845	2.7
69.26176	4.2
71.01390	17.3
72.01749	0.7
72.99315	1.2
73.02943	4.6
75.00890	1.0
83.01384	2.6
83.05035	0.6
85.02962	8.7
87.00905	1.7
89.02454	6.7
95.01407	2.2
97.02976	0.9
99.00907	2.4
101.02449	10.8
111.00937	0.6
113.02455	12.7
113.03180	0.9
119.03535	2.3
123.94156	0.5
124.01694	0.6
125.02448	1.4
135.03093	0.8
143.03537	1.5
143.10777	3.1
159.03116	0.6
161.04576	3.4
179.05687	0.7
224.06470	0.7
257.21240	0.7
262.21713	0.6
285.04126	1.1
317.26981	8.8
317.30484	0.7
318.27472	0.6
359.28131	1.4
409.22940	0.5
413.29376	1.1
419.25458	0.6
431.29819	0.9
461.31229	34.7
462.31485	4.3
479.32312	18.5
480.32748	1.5
489.15878	0.7
521.33972	5.9
522.33795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.4
56.72921	0.8
57.03448	6.0
58.00590	2.0
59.01386	87.3
60.01727	1.2
61.98820	3.6
69.03454	1.0
71.01389	72.1
71.05035	13.2
72.01731	0.9
72.99301	3.7
73.02956	17.3
75.00879	1.9
81.03474	1.3
83.01405	8.2
83.05031	2.9
85.02959	28.4
85.06607	2.4
86.00122	0.8
87.00875	5.0
89.02456	34.9
95.01409	5.9
97.02955	1.6
97.06612	0.9
98.22536	1.7
99.00899	6.0
99.04531	1.4
99.92635	0.8
101.02454	41.2
101.06081	1.2
108.67896	0.8
111.00871	2.3
113.02463	28.8
115.92085	1.6
116.92869	7.0
119.03509	15.0
121.84592	0.8
125.02499	1.6
126.25580	0.7
131.03493	2.0
135.04541	1.0
143.03496	3.8
143.10815	2.8
149.04581	1.1
151.00406	0.9
153.12854	1.3
159.03046	3.8
161.04590	17.8
161.13367	1.7
162.05057	0.8
165.06717	0.8
179.05655	5.6
193.05128	0.8
197.11823	1.8
257.21255	8.3
315.25549	1.1
317.26843	1.5
341.27090	1.1
359.28052	20.9
360.28403	1.8
419.26657	5.9
459.31134	0.9
461.31454	9.2
479.32440	3.6
491.31937	1.1
503.32156	4.6
521.33386	100.0
522.33636	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	523.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.0
61.98814	4.7
62.33926	1.7
69.54990	3.5
69.55389	8.8
71.01397	12.8
73.02948	2.7
75.00878	7.2
85.02960	3.1
87.00887	3.1
89.02462	5.9
101.02457	6.9
113.02463	4.5
117.01932	1.9
119.03672	2.8
119.05039	61.6
123.04528	3.2
134.03670	2.2
135.04550	2.5
145.02974	9.0
147.04532	5.1
148.05284	2.2
149.06081	7.7
161.04520	2.2
162.25224	2.2
163.04028	100.0
164.04578	5.1
165.05554	8.0
173.02348	2.2
179.05685	3.9
179.07181	5.0
188.04819	10.4
189.05554	2.3
191.05641	3.7
191.07166	2.5
203.07147	12.3
206.05843	9.4
221.08240	47.6
235.06119	6.5
265.07224	7.2
280.40836	1.9
313.10782	2.6
325.09283	34.8
368.79361	2.2
383.13379	9.8
427.12485	16.1
428.12613	2.0
523.12244	14.8
544.06006	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96824	1.5
55.01875	3.9
57.03449	6.7
58.00576	2.2
59.01385	89.5
61.98836	1.8
68.53917	1.4
69.03454	1.7
70.20345	1.4
70.84024	3.2
71.01391	53.6
72.99297	3.1
73.02956	14.1
75.00886	3.9
83.01395	7.2
83.05017	2.6
85.02959	21.1
85.06654	1.6
85.29808	1.6
87.00891	5.2
88.98805	4.5
89.02448	24.7
95.01381	4.4
97.02957	2.5
99.00888	6.6
101.02457	29.3
111.00883	3.5
113.02469	19.6
119.03508	9.7
125.02460	2.5
135.03000	8.0
139.11316	15.5
159.03024	2.9
161.04581	8.9
179.05615	1.6
181.12358	11.5
183.10263	19.6
189.38492	1.6
191.05641	2.6
199.13364	9.7
209.11873	4.0
225.11339	6.8
225.14781	1.8
227.12877	11.7
243.12402	42.6
244.12730	1.7
269.13815	4.5
287.15048	15.7
288.15356	1.8
307.42270	1.6
343.21216	8.0
361.15054	82.3
361.29593	21.7
362.15363	7.7
405.17188	8.1
481.22827	3.9
492.17966	2.0
513.84198	1.7
523.21765	11.1
523.27570	12.0
523.34845	100.0
524.35193	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	523.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59110	1.0
55.01865	3.5
57.03451	8.5
58.00591	3.3
59.01386	100.0
60.01701	2.0
60.99303	0.9
61.98832	9.1
69.03452	1.8
71.01389	70.0
72.01713	2.6
72.99303	4.9
73.02950	12.1
75.00872	4.5
83.01392	7.3
85.02962	21.1
85.06582	1.4
86.03296	1.4
87.00887	6.6
88.98802	5.0
89.02453	45.3
90.02748	1.2
91.59826	0.9
91.86203	1.1
95.01421	5.9
95.05083	1.2
97.02977	1.4
97.06606	1.5
99.00896	4.6
99.04555	1.0
101.02454	48.3
104.62898	0.9
108.02238	1.1
111.00879	2.6
113.02465	30.0
114.02759	1.3
118.98125	1.0
119.02682	1.6
119.03509	23.1
125.02425	3.0
129.01939	1.1
131.03514	3.1
135.03038	9.0
136.34457	1.0
139.11313	8.8
143.03529	5.3
149.04576	2.0
159.03017	2.6
161.04587	13.8
178.34659	1.1
179.05653	7.8
181.12352	6.5
183.10283	13.7
191.05655	2.1
199.13405	5.9
209.11745	1.7
225.11356	4.0
225.14980	1.2
226.09953	1.0
227.12935	9.2
229.15091	1.2
243.12389	33.3
243.19510	1.6
244.12665	1.2
251.13020	1.0
269.14063	2.8
287.15033	12.5
343.21423	1.2
360.28784	1.2
361.15051	49.7
361.22388	1.7
361.29605	27.8
362.15530	2.9
362.29980	2.0
405.17346	10.6
522.33820	5.1
523.20685	9.4
523.27893	6.5
523.34778	84.6
524.27844	2.0
524.34973	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	523.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26601	1.4
57.43382	1.5
59.01383	12.1
69.12118	12.5
69.12533	2.9
71.01390	6.8
71.89636	1.5
80.05057	2.1
83.18699	1.8
89.02452	2.4
93.39370	1.6
101.02445	2.3
108.04557	1.7
111.00886	1.9
113.02460	2.1
115.07658	1.6
119.05035	7.2
129.03462	12.4
130.04294	2.7
134.03760	22.5
134.06116	3.0
135.04565	2.7
145.02950	4.7
146.03743	18.3
147.04546	63.5
148.04878	3.2
149.06085	34.9
150.03220	5.4
161.06079	10.3
163.04018	21.1
163.05237	1.8
164.04797	30.6
165.05586	100.0
166.05922	4.8
177.05681	2.0
179.07152	55.0
195.06641	1.8
219.06682	9.8
287.15042	1.8
313.10861	29.6
314.11142	2.3
314.57391	1.6
325.10956	8.1
327.10895	7.0
338.75726	1.6
343.11798	9.0
343.21225	2.1
361.13019	6.3
479.16690	4.1
520.01849	1.8
523.27515	10.2
524.27997	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	523.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26320	1.5
59.01374	3.0
71.01385	2.7
77.68327	1.4
98.22558	3.1
103.97061	1.5
119.05037	7.9
129.03462	12.5
130.04283	2.4
134.03766	18.1
135.04572	3.5
145.02948	3.4
146.03760	16.7
147.04536	70.1
148.04900	2.7
149.06088	31.0
150.03215	6.2
161.06030	9.2
163.04027	22.3
164.04802	29.1
165.05591	100.0
166.05931	3.5
177.05528	1.8
179.07159	58.5
180.07420	2.0
219.06610	7.4
313.10806	25.0
314.11066	2.2
325.10904	6.7
327.10992	2.5
343.11874	6.6
343.21262	1.8
361.12985	5.1
362.13174	2.1
437.43338	1.7
438.02911	2.1
523.27600	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	523.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.5
59.01386	100.0
60.01691	0.8
69.48355	4.5
71.01370	1.8
75.00875	5.6
77.12067	0.9
82.49815	0.9
89.02470	1.3
93.86835	0.8
97.06588	1.1
99.04534	3.5
112.37529	0.9
117.01948	1.4
126.06388	0.9
135.03012	16.2
135.86751	0.9
165.12863	2.8
207.13902	5.8
209.11804	13.6
225.15054	8.2
227.12924	57.9
228.13226	3.9
248.37468	0.9
251.12979	2.3
269.11130	1.2
269.13959	16.0
270.14496	1.4
287.15048	80.8
288.15396	4.4
288.49252	0.9
321.84796	0.9
387.16705	4.0
405.17688	51.4
406.18167	3.7
495.76208	1.2
505.19470	1.7
523.20386	62.3
524.20947	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68951	1.4
57.03465	1.6
59.01384	100.0
60.01729	1.3
62.95902	1.1
70.45129	1.1
71.01392	9.9
72.99313	2.9
73.02956	2.8
75.00880	21.0
78.30956	1.1
82.81015	1.3
83.01413	1.3
85.67897	1.1
87.00900	2.2
89.02458	8.8
97.02981	4.0
97.59975	1.1
99.04536	3.4
101.02473	5.9
101.03115	1.1
102.69643	1.3
112.80920	1.4
113.02492	2.8
117.01968	3.1
119.03535	1.4
119.05051	1.4
134.03754	1.6
135.03006	45.0
135.04552	1.8
145.02928	1.8
146.03729	3.6
147.04568	6.6
149.06064	2.4
151.04019	2.4
161.04701	1.5
163.04045	2.0
164.04808	2.4
165.05569	10.4
165.12868	2.4
177.04135	1.8
179.07123	5.9
191.05478	1.4
198.39397	1.2
199.13492	1.4
207.13890	6.6
209.11829	8.9
225.11443	2.4
225.14995	10.2
227.12910	61.5
228.13457	2.6
237.09203	1.4
243.12332	4.0
251.12959	3.6
253.08710	1.6
269.13947	21.7
273.08759	1.3
283.10007	2.7
287.15030	93.5
288.15384	5.4
290.66153	1.2
297.07816	1.4
311.10519	2.5
313.10928	4.6
321.41959	1.4
329.11325	3.0
331.11908	1.8
343.21326	4.0
345.15683	1.3
361.12717	2.2
387.16516	6.7
405.17654	57.5
406.18250	2.1
491.13116	3.7
505.19351	4.6
523.15021	3.1
523.20392	45.0
523.27612	12.3
524.20551	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01385	100.0
73.02932	1.4
75.00888	10.5
89.02451	3.2
98.22533	5.6
99.04490	3.1
109.02960	2.0
117.01971	3.3
121.02996	4.5
122.03738	3.3
135.03012	29.8
147.04535	2.5
165.05646	8.4
165.12910	3.7
179.07158	2.1
207.13908	6.9
209.11804	13.6
225.14992	7.9
227.12903	61.2
228.13272	1.7
229.24344	1.6
251.12952	4.4
269.13950	20.7
287.15039	91.4
288.15411	4.8
346.14355	3.4
348.16983	1.9
361.16547	34.4
362.16815	3.0
387.16815	5.0
405.17688	72.9
406.18088	4.6
505.19113	3.8
523.20441	61.1
524.20825	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	523.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.1
59.78576	1.0
69.09736	3.0
69.10149	4.8
71.01379	2.5
73.02957	1.2
75.00871	3.6
85.02940	1.0
89.02451	2.2
90.33262	0.8
93.03480	1.1
101.02439	2.1
109.02970	3.8
121.02963	14.2
122.03778	10.6
123.04569	2.4
124.01668	1.0
135.03038	6.8
136.05331	0.9
137.02460	1.6
139.11353	1.4
147.04523	5.2
154.02686	1.2
161.06110	1.8
163.04195	1.0
165.05609	23.3
165.47075	0.8
166.05865	1.5
179.07132	7.4
183.10292	0.9
189.77097	1.0
198.99097	0.8
209.11800	2.4
223.09721	0.9
225.14876	2.7
227.12892	15.0
228.13046	1.1
243.12445	1.0
255.15091	0.9
269.13983	3.7
287.15057	19.2
288.15289	2.0
315.12320	2.3
346.14148	8.0
361.16599	100.0
362.16928	7.7
387.16766	1.9
405.17667	16.5
463.21631	1.2
523.20477	17.4
523.27734	2.9
524.20813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2194
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01869	3.2
57.03451	1.0
57.85754	0.8
58.00589	1.4
59.01387	43.4
69.26993	4.5
69.27396	2.0
71.01393	24.5
72.99329	2.1
73.02955	4.9
74.73262	0.9
75.00873	2.0
83.01393	5.5
85.02966	10.3
87.00876	2.8
88.98805	1.9
89.02462	12.0
93.03489	1.3
99.00871	3.2
101.02455	18.6
108.02150	1.3
109.02965	6.0
111.00871	1.6
113.02468	6.8
119.03539	4.9
121.02975	13.4
122.03759	14.2
123.04549	2.4
124.01722	1.0
131.03514	1.1
134.03799	1.5
135.02998	3.4
135.04556	2.5
136.05338	1.8
137.02469	1.6
143.03502	1.1
147.04555	9.0
148.05319	1.4
149.06068	1.7
154.02766	1.1
159.03023	1.3
161.04610	2.3
161.06091	3.3
162.06775	1.1
165.05600	25.2
171.72812	0.8
173.06073	0.9
174.83992	0.9
175.07719	1.1
179.05638	2.7
179.07173	7.4
183.10333	1.4
189.09276	1.0
191.05603	1.6
191.07204	2.3
197.87303	0.9
209.12073	1.3
221.06650	2.6
223.09705	1.0
227.12917	6.1
236.29485	0.8
243.12325	2.6
269.13925	1.1
287.15045	10.3
288.15314	1.1
298.12259	1.9
313.14639	2.2
315.12503	2.7
328.13202	1.6
343.15552	5.0
346.14258	8.5
347.14664	3.1
361.11813	2.0
361.16611	94.1
362.16882	7.5
405.17581	6.3
523.21820	100.0
524.21973	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	523.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.2
57.03452	2.9
58.00596	2.2
59.01389	57.1
71.01387	37.6
73.02946	7.2
75.00885	5.4
83.01405	5.8
85.02965	13.6
85.06600	5.3
87.00866	4.6
89.02442	19.1
95.01433	3.4
97.06597	2.2
99.00914	5.8
101.02450	25.8
102.18582	2.3
113.02450	15.5
115.03068	1.6
119.03535	7.6
131.21217	2.5
133.33972	1.7
135.03023	17.1
155.14426	9.4
161.04584	3.3
181.16016	5.7
199.13408	25.8
225.14999	7.5
227.12953	3.5
243.02454	2.4
287.15158	5.2
361.29605	9.4
386.52460	2.0
403.35052	1.9
405.21338	100.0
406.21704	12.2
414.12589	2.0
414.72415	2.2
449.27643	3.0
502.27783	1.9
523.23944	94.1
523.34845	28.4
524.24207	8.7
524.35516	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	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.8
57.03448	1.7
58.00605	3.4
59.01385	79.3
60.01727	0.9
61.98825	0.8
71.01388	65.6
72.01730	0.6
72.99316	4.3
73.02951	4.4
75.00880	10.2
76.43426	0.6
78.93680	0.7
83.01397	3.8
85.02962	10.8
87.00887	2.0
89.02453	38.6
90.02802	0.7
95.01410	3.7
99.00916	1.9
101.02451	28.2
106.65557	0.6
113.02465	15.6
113.03285	0.8
114.64866	0.7
114.78323	0.6
117.01986	1.8
119.03518	14.9
125.02483	0.8
127.11307	2.2
131.03564	0.8
135.03012	23.9
136.03374	0.8
139.11256	0.9
143.03526	1.8
149.04642	1.1
153.12854	5.0
157.02391	0.6
161.04599	2.3
179.05670	2.8
181.12350	0.9
199.13435	8.3
207.13979	1.2
209.96640	0.5
213.60645	0.7
221.52177	0.6
225.15057	2.3
227.12881	1.5
233.20772	0.6
243.16092	0.7
255.03171	0.8
285.04108	1.2
287.15036	1.4
361.29657	6.6
387.20435	1.4
405.21341	100.0
406.21671	9.7
523.24011	88.4
523.35168	13.9
524.24377	10.6
524.35370	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
59.01387	99.6
69.53366	2.0
71.01389	64.3
71.27253	2.5
72.99310	5.7
73.02953	7.3
75.00889	12.4
83.01396	3.6
85.02971	16.1
87.00860	4.5
88.98804	3.1
89.02460	38.6
93.42826	1.7
95.01405	4.2
99.00874	3.8
101.02457	39.0
113.02457	19.6
115.60474	1.7
117.01955	2.0
119.03506	15.8
135.03023	38.9
139.11261	1.8
140.29565	1.9
143.03477	2.0
153.12834	8.8
165.05405	2.1
179.05658	1.8
180.66728	1.7
199.13411	6.4
225.14984	8.9
227.12910	8.1
229.18166	1.8
240.65538	2.0
269.13959	1.9
287.15073	15.1
288.15179	2.2
405.21469	100.0
406.21628	6.8
494.23740	2.4
523.23883	80.6
523.34247	15.2
524.24213	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
57.03450	2.2
59.01387	93.1
60.01735	1.0
69.14031	5.0
69.14449	3.8
70.33369	0.9
71.01391	19.7
71.82703	1.0
72.99332	1.5
73.02946	6.8
75.00898	4.7
83.01419	3.3
85.02959	9.5
86.00106	1.6
87.00893	2.3
88.98830	1.8
89.02450	7.9
95.01402	1.9
98.21759	1.5
99.00914	2.4
101.02453	14.6
105.03450	0.9
113.02475	7.5
114.82513	0.9
117.02058	1.5
119.03553	3.1
121.03018	2.6
122.03780	2.1
125.02494	1.2
135.03014	10.3
147.04561	1.7
161.04643	1.9
165.05579	5.4
172.61070	1.3
179.07295	1.2
210.00954	1.3
223.06548	1.0
227.12968	5.1
287.15039	9.3
345.19406	2.9
346.14462	1.5
361.16580	17.3
362.16956	1.9
387.20737	2.0
396.90375	1.3
404.57162	1.2
405.21384	100.0
406.21674	8.6
523.23669	43.4
524.24011	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03436	2.8
58.00586	1.2
59.01385	52.6
60.01698	1.0
69.00828	8.9
71.01389	34.7
72.99301	2.8
73.02944	4.8
75.00893	6.2
83.01387	4.7
83.54132	0.8
85.02960	13.8
85.06600	4.3
87.00882	3.9
89.02453	22.8
95.01400	3.1
99.00904	6.8
101.02451	25.4
104.96387	1.0
112.69645	0.8
113.02459	13.6
117.01944	1.6
119.03526	6.9
135.03008	16.7
143.03458	1.3
146.03754	1.7
155.14432	9.1
159.02997	0.9
161.04616	2.2
163.17709	0.9
179.07133	1.5
181.15953	6.3
199.13405	21.3
200.13876	0.8
225.14993	12.0
226.15404	1.0
227.12961	4.7
240.04343	1.1
269.13889	1.1
287.12259	0.9
287.15097	5.9
298.08618	1.6
313.10822	2.8
361.29605	1.9
383.97269	0.9
405.21368	100.0
406.17728	1.0
406.21796	9.4
523.24042	73.5
523.34845	7.9
524.24493	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	523.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.6
59.01387	99.6
69.53366	2.0
71.01389	64.3
71.27253	2.5
72.99310	5.7
73.02953	7.3
75.00889	12.4
83.01396	3.6
85.02971	16.1
87.00860	4.5
88.98804	3.1
89.02460	38.6
93.42826	1.7
95.01405	4.2
99.00874	3.8
101.02457	39.0
113.02457	19.6
115.60474	1.7
117.01955	2.0
119.03506	15.8
135.03023	38.9
139.11261	1.8
140.29565	1.9
143.03477	2.0
153.12834	8.8
165.05405	2.1
179.05658	1.8
180.66728	1.7
199.13411	6.4
225.14984	8.9
227.12910	8.1
229.18166	1.8
240.65538	2.0
269.13959	1.9
287.15073	15.1
288.15179	2.2
405.21469	100.0
406.21628	6.8
494.23740	2.4
523.23883	80.6
523.34247	15.2
524.24213	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	523.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18049	25.0
59.01376	74.2
61.95041	21.9
61.98823	52.2
67.28158	28.4
69.61355	100.0
69.61768	50.8
73.34290	31.0
83.33239	25.4
96.96029	25.0
98.21832	28.0
119.30560	25.2
145.89063	37.9
153.94554	29.4
170.71707	27.7
186.85020	23.4
202.73219	27.2
208.10310	26.7
297.78632	25.0
342.57520	26.0
390.64438	23.9
523.32422	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53120	0.8
55.01864	3.5
57.03441	2.2
58.00587	3.4
59.01384	68.3
69.03433	0.8
69.08207	6.2
71.01389	38.1
71.05007	1.6
72.83150	0.7
72.99306	3.6
73.02956	13.8
73.03345	1.7
75.00880	2.0
75.27868	0.8
83.01392	5.9
83.05005	1.1
85.02958	14.8
86.00107	0.8
87.00893	3.9
87.39636	0.8
89.02453	17.8
93.03484	1.3
93.59296	0.9
95.01384	2.7
95.89963	0.9
99.00884	3.2
99.04543	1.0
101.02451	24.9
101.06065	1.8
107.75664	0.8
109.02956	5.6
111.00919	1.0
112.25564	0.8
113.02462	13.2
119.03526	8.7
121.02967	11.8
121.36855	0.8
122.03754	14.3
123.04524	2.3
124.01656	1.4
124.55994	0.9
125.06118	1.4
125.09698	2.0
125.25430	0.8
129.03461	1.8
131.03537	1.2
134.03723	1.8
135.03059	3.8
135.04526	2.9
137.02431	3.0
137.09708	0.9
139.07669	1.5
139.11285	1.5
146.03711	1.8
147.04526	9.7
148.05223	1.0
149.06061	2.9
154.02690	1.6
155.10828	5.9
159.02974	1.6
161.04587	3.6
161.06104	3.6
162.06779	1.3
163.03999	1.9
164.04829	1.9
165.05592	27.2
175.07813	1.1
178.06335	1.2
179.05690	1.6
179.07141	11.3
181.12384	0.8
183.10292	1.1
191.05580	1.4
191.07188	2.0
209.11909	1.0
223.09789	1.1
225.11343	0.9
227.12828	4.2
243.12337	3.2
263.20132	0.9
267.11331	2.1
269.13971	1.4
281.09277	2.2
287.15195	5.4
293.09406	1.4
293.99915	0.9
298.12085	1.2
311.10297	4.1
313.10886	1.3
313.14450	2.2
315.12399	1.9
328.13171	2.9
329.11441	1.9
333.13510	0.8
343.15854	5.1
343.21280	31.2
344.21487	3.0
346.14233	8.4
347.14935	3.4
361.16592	100.0
362.16898	9.7
405.13019	1.3
405.17590	4.0
450.23224	0.9
491.12732	4.7
505.26538	2.1
523.21631	96.1
523.27899	45.6
524.21442	12.1
524.29443	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	523.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.4
57.03454	5.9
58.00598	2.8
59.01387	84.3
60.01695	1.1
61.98828	4.3
69.03474	1.0
69.22539	0.9
69.27539	6.2
71.01392	66.4
72.01733	1.2
72.99308	6.1
73.02953	12.7
75.00871	7.9
77.08040	1.0
81.03455	2.3
83.01403	7.5
83.05033	4.7
85.02962	26.4
85.06602	1.6
87.00893	4.2
89.02457	34.8
90.02766	1.1
95.01406	4.4
97.02950	1.6
97.32961	1.0
98.22533	2.0
99.00874	6.4
99.04513	1.1
101.02457	38.9
111.00893	1.3
113.02464	25.7
119.03511	14.2
125.02493	2.4
129.01971	1.5
131.03548	2.8
135.03001	13.9
135.04561	1.4
139.00407	1.3
141.01749	1.4
143.03537	3.0
143.10815	3.0
151.00406	1.2
153.12900	1.2
155.14513	1.6
159.03040	3.0
161.04602	10.0
165.04091	3.2
179.05623	4.8
181.16016	2.3
191.05605	1.5
199.13393	6.5
201.94449	1.0
225.14966	1.9
227.12897	4.1
255.03102	2.1
257.21307	3.7
269.14182	1.7
277.16782	1.4
285.04156	2.3
287.15048	9.0
296.24884	1.1
361.16974	1.4
361.25467	2.2
361.29608	30.3
362.29968	2.4
382.97018	1.4
405.21484	38.1
406.21667	3.3
439.22000	2.5
481.22964	3.7
523.24261	17.9
523.34930	100.0
524.23975	2.0
524.35608	23.9
524.85266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
57.03448	6.7
58.00592	3.8
59.01385	100.0
61.01778	1.3
61.98834	4.0
63.41770	1.0
69.03445	1.4
71.01391	84.4
71.05000	1.0
71.27297	1.8
71.27661	1.1
72.99300	6.9
73.02959	12.5
75.00874	8.3
81.03471	3.0
83.01389	8.8
83.05019	5.7
85.02962	27.3
85.06592	3.5
87.00867	6.0
87.04530	1.3
89.02457	51.9
93.03494	1.1
95.01404	6.7
99.00894	6.7
101.02456	51.2
111.00888	2.1
113.02463	30.2
119.03517	22.7
125.02412	1.8
129.01897	1.2
131.03511	2.9
135.03009	20.7
135.04579	1.5
141.01660	1.3
143.03519	5.0
143.10773	3.7
144.32199	1.1
149.04572	2.2
153.12868	1.9
153.75934	1.2
155.14473	2.4
159.03035	3.2
161.04593	8.9
165.04080	4.5
179.05617	6.5
181.15993	2.2
191.05629	1.5
199.13429	10.0
207.13866	1.2
209.11830	2.7
225.14857	2.9
227.12921	5.9
243.17421	1.9
243.41283	1.0
255.03014	2.2
255.23210	1.0
257.21198	3.2
269.13925	1.4
283.02298	1.9
287.14999	10.2
359.17493	1.4
361.16568	2.5
361.29617	36.5
362.30084	2.9
364.12308	1.2
405.21497	59.3
406.22049	5.6
523.23962	33.0
523.34857	97.4
524.24402	4.4
524.35632	30.2
524.85870	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
57.03448	6.7
58.00592	3.8
59.01385	100.0
61.01778	1.3
61.98834	4.0
63.41770	1.0
69.03445	1.4
71.01391	84.4
71.05000	1.0
71.27297	1.8
71.27661	1.1
72.99300	6.9
73.02959	12.5
75.00874	8.3
81.03471	3.0
83.01389	8.8
83.05019	5.7
85.02962	27.3
85.06592	3.5
87.00867	6.0
87.04530	1.3
89.02457	51.9
93.03494	1.1
95.01404	6.7
99.00894	6.7
101.02456	51.2
111.00888	2.1
113.02463	30.2
119.03517	22.7
125.02412	1.8
129.01897	1.2
131.03511	2.9
135.03009	20.7
135.04579	1.5
141.01660	1.3
143.03519	5.0
143.10773	3.7
144.32199	1.1
149.04572	2.2
153.12868	1.9
153.75934	1.2
155.14473	2.4
159.03035	3.2
161.04593	8.9
165.04080	4.5
179.05617	6.5
181.15993	2.2
191.05629	1.5
199.13429	10.0
207.13866	1.2
209.11830	2.7
225.14857	2.9
227.12921	5.9
243.17421	1.9
243.41283	1.0
255.03014	2.2
255.23210	1.0
257.21198	3.2
269.13925	1.4
283.02298	1.9
287.14999	10.2
359.17493	1.4
361.16568	2.5
361.29617	36.5
362.30084	2.9
364.12308	1.2
405.21497	59.3
406.22049	5.6
523.23962	33.0
523.34857	97.4
524.24402	4.4
524.35632	30.2
524.85870	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	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	6.8
69.16307	10.8
69.16707	1.8
71.01389	3.3
87.00883	2.1
98.21790	2.1
101.02423	1.8
108.02211	2.2
114.87944	1.4
121.02988	6.3
122.03741	9.4
133.03073	1.3
134.03767	31.3
135.04536	11.6
144.15984	1.2
145.45752	1.3
146.03775	17.9
147.04588	2.5
149.06108	45.3
150.03256	4.0
150.06451	2.0
161.06125	8.3
162.03326	1.8
164.04822	8.9
165.05591	29.9
166.06389	13.6
167.07159	100.0
168.07468	2.9
168.93776	1.5
170.01846	1.5
177.05591	2.7
179.07158	54.2
180.07544	2.6
221.08206	8.3
239.09128	1.7
265.78635	1.4
287.15286	2.0
315.12411	34.8
321.52582	1.6
327.12521	7.9
329.12515	3.0
345.13559	8.5
347.25269	1.4
363.14597	8.2
484.14154	1.5
525.21204	1.7
525.28961	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.8
57.03440	3.1
59.01384	19.7
61.98829	0.8
69.03484	0.8
69.17043	5.3
71.01390	9.6
72.99292	1.0
73.02953	5.6
83.01386	5.8
83.05035	1.2
85.02963	4.6
87.00881	3.2
89.02426	0.8
91.85753	0.7
95.01400	2.6
97.02995	0.9
99.00881	1.1
99.04513	2.0
101.02457	6.2
107.05053	1.0
108.02238	0.9
111.00900	2.2
113.02473	4.6
119.08671	2.8
121.02965	1.3
123.00903	44.7
124.01682	96.5
124.56853	0.7
125.02534	9.4
125.06104	0.9
127.75410	0.7
133.10280	1.6
135.08203	3.8
135.11806	2.3
137.09744	19.4
138.03232	5.3
139.00362	2.2
139.04031	77.8
140.04359	3.4
141.05574	1.2
143.03526	0.9
149.02492	0.8
153.01933	1.4
161.04617	6.1
161.09724	5.1
163.07677	16.2
170.09372	1.7
179.10805	9.6
180.11163	0.8
181.08733	20.5
197.04562	1.3
197.11867	4.2
205.08752	1.8
221.11801	1.5
223.06293	0.8
223.09769	8.8
224.10303	1.1
229.08582	0.9
236.94035	0.7
241.10823	3.6
247.09755	1.9
265.10870	3.0
301.09424	1.5
307.11826	1.1
323.14877	1.1
325.12863	2.4
326.69406	0.8
385.15112	2.1
447.16956	1.2
469.24463	1.1
507.18823	8.2
525.19824	100.0
526.20172	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	525.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88055	0.8
57.02272	0.9
80.85062	0.8
98.22518	2.7
103.07348	0.9
107.05042	1.3
108.02166	1.3
121.02971	6.2
122.03748	10.4
134.02754	1.2
134.03766	19.7
135.04584	6.9
137.02557	1.0
146.03766	15.9
147.04442	1.4
148.72504	0.8
149.02496	1.3
149.06110	29.0
150.03253	5.5
150.06508	1.2
161.06102	8.7
162.29109	0.9
164.04834	8.3
165.05589	28.6
166.06380	12.0
166.18013	1.1
167.07156	100.0
168.07536	3.9
177.05637	1.0
179.07159	58.3
180.07491	2.0
195.06548	2.0
221.08221	7.8
239.09291	2.2
264.47791	1.0
315.12418	18.9
316.12854	1.5
327.12350	4.9
345.13467	5.2
363.14606	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	525.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11792	0.8
59.01381	5.6
61.98838	1.0
69.26374	3.9
69.26792	3.0
71.01377	3.7
73.02934	1.0
75.00879	2.1
75.49519	0.8
85.02956	1.8
89.02457	2.8
91.05601	0.9
93.03472	1.4
100.82301	0.9
101.02454	2.6
107.05100	1.0
113.02483	2.6
119.03497	0.9
121.02962	6.6
122.03772	11.2
122.10093	0.9
133.03014	1.1
134.03758	32.9
134.95880	0.9
135.00964	1.0
135.04570	10.5
137.02437	1.5
137.06155	0.8
145.02873	1.0
146.03754	17.8
147.04501	3.7
149.02426	1.1
149.06097	41.3
150.03221	3.8
150.06459	1.6
152.46115	0.9
154.02760	1.0
161.06087	10.5
162.03273	2.2
164.04820	10.3
165.05589	28.3
166.06364	14.5
167.07156	100.0
168.07465	2.6
170.53764	0.9
177.05548	2.2
179.07155	55.0
180.07454	2.1
193.08699	1.7
195.06602	1.3
221.08221	8.4
233.70258	0.9
238.54630	0.8
239.09251	1.8
291.09760	1.0
315.12396	30.6
316.12604	1.4
327.12445	7.0
329.12408	1.2
345.13550	8.4
363.14487	7.9
525.15948	1.0
525.28528	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	525.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49053	3.0
55.97690	3.3
58.29816	3.5
58.38307	3.0
59.01383	27.9
61.98844	5.8
63.07154	4.3
71.01384	12.5
71.27995	4.2
78.41232	3.3
86.65514	3.1
87.00922	3.9
89.02461	9.5
97.06629	4.1
98.74919	3.1
101.02446	10.8
109.43620	3.5
149.04506	4.3
171.10263	4.5
199.18355	3.5
211.13492	11.3
229.14531	6.6
280.18646	3.4
327.21802	100.0
328.22217	10.7
330.51117	4.0
334.61618	4.1
404.91422	3.9
429.37299	3.9
501.43454	3.7
525.24548	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	525.3076
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
55.01884	0.5
57.03444	1.1
58.00595	0.5
59.01384	100.0
60.01713	0.9
61.98837	1.2
71.01388	11.6
72.99294	0.8
73.02941	2.2
83.01403	1.0
85.02956	4.1
87.00892	1.2
89.02457	5.8
95.01424	1.5
101.02452	4.2
113.02466	10.7
114.02864	0.4
119.03494	2.4
125.02487	0.6
142.35825	0.4
143.03468	0.9
157.99986	0.5
161.04619	1.4
179.05714	0.6
229.17805	0.5
353.19907	0.6
395.24667	0.5
465.28674	1.6
483.29764	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3203
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
54.52060	18.3
55.49632	18.6
59.01373	47.9
61.98811	34.5
73.71160	20.2
91.45470	24.8
96.96010	17.9
98.22631	47.6
106.01186	17.7
113.04365	20.5
121.03048	23.7
227.80565	21.6
239.20151	26.7
249.39510	19.3
272.45639	18.9
489.35986	57.4
525.31958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
59.32072	0.8
71.27820	1.7
77.20068	0.9
99.08186	1.4
101.02470	1.1
113.02449	1.3
121.90891	1.1
127.11297	1.0
171.10332	1.1
182.89156	1.1
183.14032	2.0
196.79434	1.0
211.13405	13.1
229.14406	9.1
256.94275	1.3
329.23364	100.0
330.23630	7.5
364.90067	1.0
527.26123	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	527.284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55969	1.1
58.02970	2.7
59.01390	6.9
59.18775	1.0
69.01051	2.9
69.01469	7.4
70.02991	9.3
71.01378	3.8
73.02967	1.8
73.04066	1.9
75.00878	9.2
87.00885	1.4
87.05650	6.4
93.03484	3.3
95.02525	2.4
96.00930	5.8
101.02443	3.5
110.02489	3.1
111.05611	1.1
112.04103	1.1
113.02444	1.3
113.03603	9.6
114.01987	21.0
118.39774	1.2
126.06746	3.5
129.06732	7.5
129.10382	9.4
130.02512	1.0
131.04648	15.8
135.03046	1.0
139.08777	1.4
144.07808	14.5
155.08267	2.0
168.07817	4.0
168.11443	1.2
169.09837	1.6
173.04607	2.4
186.08862	13.6
191.05704	1.1
196.14532	1.2
207.15036	13.6
210.99278	1.4
212.84091	1.0
224.17709	6.4
225.16121	1.7
226.12053	1.1
242.18794	16.9
245.15524	2.1
268.16766	1.5
281.19968	7.5
289.63062	1.1
299.20938	5.5
346.30197	1.0
352.23682	2.4
370.24594	4.4
412.25708	41.4
413.25806	2.7
483.29083	1.6
484.88037	1.1
509.27408	4.3
527.28442	100.0
528.28748	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
56.66871	1.6
57.03435	4.4
59.01387	31.7
61.98841	1.7
69.10477	7.6
69.10891	4.7
71.01040	2.1
71.01388	26.6
72.99276	6.6
73.02905	2.0
75.00884	24.2
75.49064	1.2
84.99926	1.6
85.02959	29.0
87.00876	7.8
89.02436	5.8
95.01350	6.7
99.00886	11.9
101.02443	1.9
103.00343	5.1
113.02458	44.0
115.00374	2.9
117.01938	2.7
157.01392	1.7
163.10561	1.5
175.02425	5.4
205.07159	2.9
223.43239	1.6
249.06201	9.2
254.11783	1.6
263.94540	1.8
267.07208	10.2
277.21747	66.4
278.22003	4.0
384.93143	1.6
491.33102	2.4
509.27164	2.8
527.28375	100.0
528.28461	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	527.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.4
75.22952	1.1
83.52583	1.0
84.71999	1.0
89.49277	1.0
98.22523	3.2
121.66229	1.2
152.48059	1.0
221.97659	1.3
233.15369	1.8
311.45145	1.6
353.48807	1.2
407.29520	1.4
423.32794	1.2
467.31583	1.6
483.34933	6.8
527.33856	100.0
528.34155	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.0
69.06471	3.0
69.06776	30.8
95.14246	3.3
104.85074	2.8
121.33641	2.9
125.66718	3.0
150.94829	3.2
185.94276	3.3
191.14435	2.9
194.55205	2.9
200.84036	3.4
249.21919	2.9
371.12643	3.0
444.00232	3.1
467.32047	4.8
483.34705	11.9
491.33670	11.2
504.15298	3.7
527.33978	100.0
528.34033	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	527.3382
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
51.26642	1.1
59.01386	15.3
69.61224	3.4
69.61637	3.4
81.83215	1.1
88.07013	1.2
94.57169	1.1
98.21803	1.2
172.61870	1.2
175.48657	1.2
191.63608	1.3
233.15497	8.8
256.58743	1.2
274.29660	1.3
284.19601	1.2
295.19266	2.5
467.31802	2.9
483.35126	2.0
527.33868	100.0
528.34308	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	527.3383
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
52.98853	0.4
54.32366	0.4
58.98153	0.4
59.01139	0.4
59.01389	5.2
65.32010	0.4
69.48578	2.3
93.43116	0.4
107.09234	0.4
193.41196	0.4
197.54323	0.4
208.08971	0.3
233.15506	7.6
234.15630	0.6
269.19406	0.4
295.19196	1.0
314.27002	0.5
350.38516	0.5
400.23535	0.5
423.32504	0.6
467.31842	1.0
483.34824	1.6
527.33826	100.0
528.34161	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	527.3381
Annotation	Ganoderic acid V
Peak:m/z	Relative Intensity
53.29525	0.7
59.01387	22.1
70.03221	2.8
90.05882	0.8
96.71983	0.7
96.96014	0.9
97.06644	0.9
129.42831	0.8
151.16791	0.7
164.25558	0.8
179.63368	1.0
233.15503	1.7
261.69757	0.7
329.17648	1.3
340.68829	0.8
405.31717	1.1
407.29453	1.7
423.33035	1.9
465.33890	2.0
467.31772	3.6
483.34924	4.2
527.33868	100.0
528.34174	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	528.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36937	0.4
57.03461	0.4
59.01395	3.4
61.98840	100.0
68.43702	0.4
69.26012	3.3
71.01399	4.3
73.00872	0.4
73.02975	0.8
80.00323	0.4
83.01403	1.0
85.02967	1.2
87.00871	0.6
89.02473	1.4
93.03458	0.5
99.00937	0.6
101.02472	2.5
107.01412	0.5
113.02493	1.3
119.03492	0.4
125.02463	6.9
128.03572	0.6
131.03574	0.7
149.02509	0.6
151.00433	1.8
153.02005	2.4
161.04643	0.8
175.00490	0.4
175.04083	0.8
177.02045	1.3
178.99962	1.4
181.01494	1.0
191.03612	0.5
218.61890	0.5
235.11949	2.0
256.00613	0.4
259.06366	0.5
275.05811	1.8
285.04022	4.1
303.05133	13.6
303.08362	0.7
304.05536	0.9
332.58853	0.4
341.05386	0.8
367.16119	5.5
465.10574	1.4
529.21399	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	528.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20906	1.0
59.01388	23.0
61.98838	100.0
71.01385	10.0
73.02959	12.5
83.01408	3.2
85.02951	1.5
89.02477	2.2
101.02452	13.1
113.02474	3.7
117.29116	1.1
117.67982	1.0
161.04585	2.7
201.51208	1.1
202.99751	1.1
237.53479	1.4
363.23996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95509	0.8
59.01386	8.8
61.98824	1.9
68.95415	0.9
69.05782	5.5
69.06182	2.5
71.01372	3.1
72.26941	0.9
72.30902	1.1
89.02457	3.1
101.02444	2.6
113.02506	2.1
130.10822	0.8
159.28516	0.8
161.04570	1.3
165.87094	0.9
169.25807	0.8
214.12221	0.9
249.18616	100.0
250.18971	7.3
253.09309	17.4
254.09698	1.3
448.51373	1.3
529.31451	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	528.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59685	1.7
59.01392	11.7
61.98826	2.8
69.05938	11.2
69.06350	3.1
70.74319	1.3
71.01420	2.4
80.70297	1.7
101.02453	3.6
146.53375	1.7
161.04642	1.8
231.17390	2.1
249.18620	100.0
250.18951	8.3
253.09300	16.9
403.94153	1.9
491.26852	2.1
492.27283	2.2
529.31360	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	529.1333
Annotation	CHEBI:66708
Peak:m/z	Relative Intensity
53.71889	21.3
71.26124	24.6
92.95963	27.1
130.08759	100.0
153.01936	56.0
271.08920	21.0
331.10291	35.2
431.22446	27.7
529.13348	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1571
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03463	0.8
59.01387	12.9
60.99321	3.6
61.98837	4.4
67.01894	9.5
69.03462	2.9
69.13010	0.7
69.13313	6.2
70.48219	0.7
71.01389	10.8
72.99298	1.3
73.02955	1.9
81.03465	2.1
83.01410	1.2
83.05003	1.2
85.02955	8.2
87.00887	16.2
89.02449	4.2
93.03471	62.5
94.03823	1.4
96.95998	0.7
99.00890	2.2
101.02444	5.7
109.02969	1.5
111.00896	1.2
111.04543	9.4
113.02472	4.2
115.04034	1.1
119.03490	2.3
119.05017	1.1
125.02436	1.0
127.04044	2.7
127.05030	0.7
129.01900	1.9
130.08722	0.7
130.43568	0.8
131.03558	0.8
134.03760	17.8
135.04498	1.0
137.02466	3.2
141.01715	4.7
143.03473	1.1
143.60150	0.7
149.04485	0.7
149.04973	0.7
149.06100	5.5
155.03540	2.4
160.01714	1.2
173.04575	21.4
175.04001	1.3
177.05624	0.7
178.02737	9.3
179.03517	1.4
191.05632	100.0
192.05951	3.6
193.03313	1.5
193.05075	23.9
194.05383	0.7
219.96051	0.7
221.04517	0.8
235.06152	1.4
235.11870	1.2
289.72009	0.7
323.07736	0.8
367.10355	26.1
367.16022	7.0
368.10580	2.8
409.11597	2.6
469.23309	1.3
529.15570	63.9
529.21716	3.3
530.16150	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	529.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01081	0.7
55.01883	1.9
57.03455	1.4
58.00596	1.3
59.01387	34.6
69.03456	0.9
71.01391	100.0
71.27003	1.6
72.99314	11.1
73.02920	1.2
75.00876	1.1
83.01395	3.3
83.05011	1.1
85.02964	5.2
86.63919	0.9
87.00883	5.7
89.02454	32.2
95.01420	1.2
96.99329	1.2
97.02937	1.0
99.00883	1.8
101.02454	13.4
109.02911	1.1
111.00932	1.1
113.02464	11.9
114.02768	0.9
115.00395	18.7
117.05410	0.8
119.03516	14.6
125.02502	1.4
129.01967	1.0
131.03549	2.2
133.01445	6.7
143.03493	4.2
143.04767	0.9
147.08180	3.0
149.04564	1.6
152.76163	0.9
159.08189	2.3
161.04546	5.7
163.11336	1.7
177.12874	2.0
179.05630	20.5
180.05919	1.0
184.10941	1.0
187.11311	2.6
189.09283	1.4
191.05594	2.0
193.05074	1.5
203.10849	1.9
205.12375	19.7
221.06703	1.6
235.06168	1.2
269.10352	1.5
323.09915	1.7
331.11688	1.9
349.12939	2.8
469.19186	2.4
485.20154	1.1
511.18106	1.4
529.19275	9.1
530.19336	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	529.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54056	0.3
55.01877	0.8
55.33199	0.3
57.03442	0.7
59.01386	12.0
61.98819	0.7
62.51233	0.3
63.90069	0.3
69.03446	0.3
71.01389	11.0
71.27278	0.5
72.01719	0.3
72.99306	0.8
73.02958	3.7
75.00861	0.9
83.01426	2.0
83.05035	2.1
85.02966	4.5
87.00880	1.4
89.02453	5.4
93.03489	0.6
95.01399	0.7
97.02940	0.4
99.00880	1.3
101.02451	8.8
111.00911	0.9
112.24460	0.4
112.98835	0.9
113.02473	5.8
119.03493	2.4
121.02969	100.0
122.03299	2.8
125.02473	0.8
127.00359	0.4
129.01976	0.6
131.03505	1.1
135.03040	2.7
135.04533	0.3
143.03513	1.1
147.03023	0.6
154.99884	1.2
159.02979	0.5
161.04573	6.6
179.05630	2.0
190.54707	0.3
191.05655	0.5
212.46132	0.3
221.06656	3.7
225.11218	0.4
243.12335	0.4
245.10295	1.2
263.07956	0.4
285.04092	0.5
365.17804	0.3
373.15005	0.4
407.15646	10.3
408.16034	0.9
462.76447	0.4
529.19012	0.8
529.26544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.4
57.03456	3.2
58.00564	2.6
59.01387	52.6
60.01705	0.6
61.98837	3.2
62.05284	0.7
66.88406	0.6
67.01841	0.6
69.03453	1.2
71.01390	58.8
71.26759	1.0
72.01703	0.7
72.99324	3.5
72.99642	0.8
73.02957	16.3
75.00850	1.2
82.05995	0.5
83.01405	9.4
85.02959	21.5
86.00095	1.0
87.00886	7.8
89.02454	29.5
92.84093	0.6
93.03433	1.2
95.01396	4.1
95.58081	0.5
96.96001	1.4
97.02943	4.3
99.00913	5.8
101.02455	46.3
102.02748	1.1
102.12658	0.6
105.78239	0.6
109.02940	0.7
111.00914	3.1
112.65920	0.6
113.02465	22.4
119.03526	4.1
119.05058	0.6
121.02947	0.7
125.01685	0.8
125.02464	11.2
129.01942	1.4
131.03526	14.4
134.03706	0.7
135.04530	1.2
141.01724	0.8
143.03468	2.5
149.04543	3.6
149.05894	0.9
159.03008	2.8
161.02429	0.7
161.04565	11.5
162.04807	0.6
173.04422	0.6
175.03941	1.5
179.05595	1.5
180.85847	0.6
191.05635	3.0
193.05025	1.2
221.06688	4.6
233.06657	1.5
235.11893	36.4
236.12227	1.2
275.07581	0.8
323.07834	1.0
324.97812	0.6
367.16116	100.0
368.16422	5.8
397.17126	7.3
529.21484	80.3
530.21802	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	529.3023
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03440	3.6
59.01390	18.9
62.01373	1.1
68.99259	11.9
68.99820	1.2
70.76854	1.0
71.01040	1.5
71.01394	22.0
72.99310	5.7
73.02939	1.5
75.00880	19.8
85.02961	28.6
85.54065	1.1
87.00880	8.4
89.02454	5.0
93.41193	1.0
95.01408	5.5
99.00887	12.7
103.00386	3.2
104.38300	1.0
113.02467	41.9
115.00386	2.0
117.01946	2.4
129.01958	2.1
131.03548	1.3
145.30208	1.2
175.02457	3.9
205.07222	4.1
207.69437	1.0
209.41689	1.1
231.05083	1.8
249.06131	8.6
255.23250	2.5
267.07205	10.8
267.66592	1.2
279.23328	76.6
280.23627	5.2
480.31140	1.3
511.29166	2.5
529.30225	100.0
530.30597	11.3
547.65417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.354
Annotation	Guavanoic acid
Peak:m/z	Relative Intensity
51.38228	0.9
56.49207	0.8
57.02407	0.8
58.42123	0.7
59.01384	28.4
61.73043	0.7
67.12629	0.8
69.01530	5.3
69.01938	2.7
90.35242	0.7
96.96067	3.1
98.21825	1.8
109.06637	2.2
207.14018	1.0
228.37059	0.8
257.57532	0.9
279.16190	1.0
289.22025	1.2
323.79758	0.8
352.39572	0.8
407.30066	1.6
425.30695	1.4
467.35986	1.5
469.29797	3.2
485.36810	13.6
486.36987	2.5
511.34589	2.3
529.35632	100.0
530.36200	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	529.3541
Annotation	Rubianol b
Peak:m/z	Relative Intensity
51.81140	0.7
56.74014	0.7
57.03443	1.4
59.01387	33.3
61.38335	0.7
61.98842	1.9
62.27396	0.7
68.81659	0.8
70.90290	1.1
70.90615	1.0
71.23997	0.7
73.02954	1.3
78.95932	1.4
91.40723	0.7
95.78616	0.9
97.06595	4.4
98.22512	0.8
103.10883	0.8
191.14575	0.9
205.16093	1.0
233.15492	5.6
234.16090	0.9
235.17062	4.4
277.21783	1.8
295.19171	7.2
315.64758	0.8
353.98196	0.8
355.66791	0.9
427.32361	2.2
445.23245	1.1
451.32056	1.1
467.35104	2.4
469.33438	2.4
485.37064	4.8
487.35114	1.0
511.34497	2.7
529.35571	100.0
530.35901	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	529.3541
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01091	3.3
59.01385	64.8
61.95942	1.9
68.98020	20.7
133.72285	1.9
161.82777	2.0
184.02391	2.2
233.15399	4.6
235.16992	6.7
266.15359	3.9
425.34555	2.2
457.37030	18.0
467.35703	3.4
483.35223	3.1
485.36566	4.4
501.35855	55.1
502.36597	9.8
529.35480	100.0
530.35754	13.2
551.17163	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	529.354
Annotation	Guavanoic acid
Peak:m/z	Relative Intensity
56.67073	1.7
59.01389	92.7
69.06456	1.6
69.28464	10.5
69.28878	3.8
70.92458	1.6
72.09686	1.7
72.58195	1.8
72.99309	2.1
78.94035	1.6
98.21860	2.5
142.85445	2.0
193.58148	1.9
425.34152	2.6
467.35483	4.8
485.36493	11.6
486.36902	2.3
529.35425	100.0
530.35999	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	529.354
Annotation	Rubianol b
Peak:m/z	Relative Intensity
52.87125	1.4
59.01388	65.9
61.26892	1.4
62.29170	1.2
71.05848	2.6
72.22517	1.5
93.10035	1.4
118.12813	1.4
257.63983	1.7
409.31155	2.1
425.34256	22.7
426.34604	3.7
469.33328	32.2
470.33704	2.6
529.35431	100.0
530.35901	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	529.3541
Annotation	Rubianol b
Peak:m/z	Relative Intensity
58.17765	0.2
59.01386	23.4
70.90863	0.5
71.43213	0.2
73.34057	0.2
78.95924	0.3
79.40076	0.2
97.06625	0.2
107.61871	0.2
125.47282	0.3
153.10229	0.3
177.13013	0.3
221.15627	0.4
233.71562	0.2
279.23380	1.0
289.21729	6.1
290.22131	0.4
315.23557	0.3
332.23846	0.3
343.26569	1.5
355.26443	1.2
366.16437	0.3
369.96356	0.3
395.29538	1.4
407.33316	1.4
423.32916	0.6
425.34344	11.8
426.34537	1.3
447.25183	0.6
451.32263	0.4
467.35352	1.0
469.33295	13.8
470.33649	1.7
485.37064	1.4
501.36047	0.5
511.34305	1.4
512.34778	0.3
529.35419	100.0
530.35754	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	530.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94024	1.9
57.03451	2.7
59.01384	21.3
61.98827	6.9
69.61152	3.5
69.61561	8.2
71.01378	4.1
80.06940	2.3
84.17078	2.1
84.72474	2.3
117.51268	2.3
191.14417	5.2
233.68239	2.4
235.08209	2.5
237.14900	5.7
251.20184	100.0
252.20471	5.1
253.09245	12.2
375.19504	2.1
458.15527	2.5
487.34274	8.1
530.31702	6.6
531.33380	92.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17278	0.4
56.29002	0.4
59.01387	5.4
59.91742	0.4
59.98220	0.4
61.98843	0.9
66.95918	2.6
68.91184	0.4
71.01386	3.0
74.55715	0.4
74.99125	0.5
82.95428	100.0
83.01393	0.6
85.00453	0.5
85.02970	1.3
87.00895	1.0
89.02452	1.7
93.03454	0.6
98.21645	0.8
98.22333	2.8
101.02447	1.9
113.02443	0.8
113.78275	0.5
118.98099	1.9
119.03467	0.7
129.05641	0.9
135.03084	0.8
135.04533	0.7
179.03598	0.5
179.05617	1.0
191.05678	3.0
245.94231	0.5
281.08560	1.2
284.03287	4.0
285.04074	8.9
286.04153	1.2
339.05246	0.6
351.09167	0.8
447.09387	10.1
448.10052	1.1
449.09784	1.4
531.08557	0.7
531.15863	0.5
531.28638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00600	0.8
59.01382	19.1
61.98835	1.5
65.16251	0.7
67.01914	1.0
69.03440	1.2
69.73178	0.6
71.01389	15.4
71.27062	0.8
72.99307	1.8
73.02950	3.8
73.47556	0.6
74.99126	0.6
75.00872	1.6
75.13727	0.7
78.91895	1.9
81.03469	0.8
83.01411	2.9
85.02968	15.5
87.00896	5.4
88.04079	0.6
89.02455	9.2
93.03465	5.8
95.01396	1.5
96.96037	1.0
97.02980	1.4
99.00895	1.7
99.04535	0.9
101.02456	7.0
108.02202	0.9
109.02251	1.2
109.02971	14.5
111.00892	0.9
111.04552	1.8
113.02461	8.5
117.03438	0.9
118.98130	0.9
119.03539	3.9
119.05025	1.3
121.02957	2.1
123.02823	0.6
125.02474	2.9
127.04021	1.6
128.29570	0.6
129.03448	0.7
133.02924	0.9
135.02943	1.0
135.04538	1.7
137.02441	1.7
143.03511	3.3
145.01505	0.7
145.01801	0.7
145.02963	5.5
146.03767	1.0
147.03067	0.8
147.03423	0.9
147.04533	5.7
151.15468	0.8
157.02963	7.6
158.03719	2.0
159.04529	9.5
161.02493	0.9
161.04532	2.7
163.04018	1.9
167.03621	0.7
173.02455	3.1
173.04601	2.7
174.03261	1.3
175.04010	3.5
179.05627	2.1
185.02483	4.8
187.03957	1.2
191.05632	66.1
192.06017	2.0
193.06598	0.9
197.06250	0.7
201.01964	2.0
203.03566	1.0
220.05447	0.7
221.06210	2.4
222.96443	0.6
224.04851	0.9
225.05629	1.3
229.01448	38.4
230.01950	2.4
238.06343	1.0
239.07190	3.1
245.06700	0.7
248.04720	1.5
249.05556	7.2
250.06364	2.9
251.07179	1.6
253.05099	2.1
265.05115	2.2
265.14420	0.7
266.05807	2.5
267.06638	18.7
268.07019	1.8
269.08173	2.5
276.04184	1.5
277.05112	13.6
278.05902	3.1
280.03934	0.7
293.04541	4.5
294.05377	3.7
295.06134	25.4
296.06451	1.9
339.05121	100.0
340.05447	7.9
346.66788	0.7
353.25555	0.7
356.95639	0.8
357.09982	0.8
429.21198	0.9
473.06470	0.7
487.12692	1.3
487.21017	0.9
529.11444	0.8
531.11133	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	531.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00600	0.8
59.01382	19.1
61.98835	1.5
65.16251	0.7
67.01914	1.0
69.03440	1.2
69.73178	0.6
71.01389	15.4
71.27062	0.8
72.99307	1.8
73.02950	3.8
73.47556	0.6
74.99126	0.6
75.00872	1.6
75.13727	0.7
78.91895	1.9
81.03469	0.8
83.01411	2.9
85.02968	15.5
87.00896	5.4
88.04079	0.6
89.02455	9.2
93.03465	5.8
95.01396	1.5
96.96037	1.0
97.02980	1.4
99.00895	1.7
99.04535	0.9
101.02456	7.0
108.02202	0.9
109.02251	1.2
109.02971	14.5
111.00892	0.9
111.04552	1.8
113.02461	8.5
117.03438	0.9
118.98130	0.9
119.03539	3.9
119.05025	1.3
121.02957	2.1
123.02823	0.6
125.02474	2.9
127.04021	1.6
128.29570	0.6
129.03448	0.7
133.02924	0.9
135.02943	1.0
135.04538	1.7
137.02441	1.7
143.03511	3.3
145.01505	0.7
145.01801	0.7
145.02963	5.5
146.03767	1.0
147.03067	0.8
147.03423	0.9
147.04533	5.7
151.15468	0.8
157.02963	7.6
158.03719	2.0
159.04529	9.5
161.02493	0.9
161.04532	2.7
163.04018	1.9
167.03621	0.7
173.02455	3.1
173.04601	2.7
174.03261	1.3
175.04010	3.5
179.05627	2.1
185.02483	4.8
187.03957	1.2
191.05632	66.1
192.06017	2.0
193.06598	0.9
197.06250	0.7
201.01964	2.0
203.03566	1.0
220.05447	0.7
221.06210	2.4
222.96443	0.6
224.04851	0.9
225.05629	1.3
229.01448	38.4
230.01950	2.4
238.06343	1.0
239.07190	3.1
245.06700	0.7
248.04720	1.5
249.05556	7.2
250.06364	2.9
251.07179	1.6
253.05099	2.1
265.05115	2.2
265.14420	0.7
266.05807	2.5
267.06638	18.7
268.07019	1.8
269.08173	2.5
276.04184	1.5
277.05112	13.6
278.05902	3.1
280.03934	0.7
293.04541	4.5
294.05377	3.7
295.06134	25.4
296.06451	1.9
339.05121	100.0
340.05447	7.9
346.66788	0.7
353.25555	0.7
356.95639	0.8
357.09982	0.8
429.21198	0.9
473.06470	0.7
487.12692	1.3
487.21017	0.9
529.11444	0.8
531.11133	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	531.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.4
59.01366	24.9
61.98824	5.4
67.01878	6.3
71.01393	27.0
71.26558	7.5
73.02954	6.1
75.00871	9.2
76.49823	4.9
81.53680	4.4
83.01389	18.1
85.02966	9.8
87.00888	33.1
89.02455	13.1
93.03432	5.3
95.01376	6.2
95.32314	4.8
99.00885	9.5
100.01672	5.4
101.02437	7.6
109.02944	26.7
111.00902	31.0
113.02456	10.6
115.00385	60.6
120.45805	4.5
121.02914	5.4
122.03810	5.8
125.02456	8.4
135.04550	22.6
137.02466	5.1
139.00388	26.3
149.02435	11.0
149.06090	11.9
150.03284	6.8
156.00662	18.0
157.01480	28.9
161.02423	13.0
163.04057	8.7
173.02525	6.1
174.01709	75.2
174.03159	7.9
175.02505	58.0
175.03983	10.1
177.01971	15.2
177.05600	4.8
178.02678	5.2
187.04051	8.2
191.03517	18.1
191.05382	5.5
193.05089	71.7
195.06621	7.8
201.01863	6.0
203.03545	10.3
205.01401	7.2
205.05031	5.9
206.02162	7.7
207.06635	30.4
223.05966	7.0
231.06619	5.3
232.03944	6.4
233.04536	41.7
234.05304	21.1
247.06134	7.9
251.05638	15.7
275.05560	10.0
279.05069	6.7
279.08414	5.4
289.07162	15.5
307.08279	100.0
308.08640	8.4
309.06268	22.3
413.10898	13.9
441.10052	5.8
469.13730	7.6
471.11533	36.5
495.11017	6.2
513.11652	5.7
531.15491	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	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01387	2.7
60.99302	0.9
67.01903	3.2
69.03451	0.8
69.09396	2.1
71.01376	2.1
73.02949	0.7
73.87813	0.2
81.03460	0.8
82.95427	0.3
83.05032	0.9
85.02967	9.3
87.00887	5.4
89.02460	0.4
93.03472	21.0
94.03782	0.4
98.22560	0.4
99.00885	0.3
99.04509	0.6
101.02466	0.5
105.03477	1.4
107.05042	0.2
109.02966	1.7
111.04540	3.2
113.02481	0.7
121.02954	0.5
124.01715	0.3
125.02430	0.3
127.04020	2.1
129.01949	0.4
132.02194	3.0
133.02979	11.6
134.03815	1.3
135.04549	4.9
137.02448	0.6
143.03522	0.3
146.03729	0.4
147.04466	0.3
149.06079	0.3
150.03275	0.3
151.04012	0.3
155.03551	0.7
160.01680	7.7
161.02466	12.8
162.02873	0.5
164.04752	0.5
165.05597	0.5
169.52174	0.2
169.88998	0.2
171.03023	0.6
173.04568	8.8
174.03255	0.7
174.06528	0.2
175.04007	0.3
177.01970	3.9
178.02724	1.0
179.03511	1.9
179.07169	0.5
191.05635	100.0
192.05974	2.4
202.02745	0.4
215.05653	3.0
222.10059	0.2
269.23184	0.2
281.08203	0.3
307.08588	0.4
339.08755	22.7
340.09222	1.5
340.12704	0.3
351.07260	8.2
352.07666	0.5
357.10001	1.0
367.10428	0.6
379.26477	0.2
421.27524	0.5
513.14124	0.4
531.15247	5.7
531.28967	2.7
532.15747	0.4
532.29413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08194	0.7
56.50578	0.8
57.01098	0.6
57.03456	0.7
59.01384	9.0
61.98824	1.8
67.01897	1.7
69.19010	0.7
69.19278	6.4
71.01402	4.3
73.02962	1.5
81.03443	0.8
85.02957	11.2
87.00890	3.2
89.02449	1.2
90.91141	0.8
93.03470	10.0
99.04543	1.3
101.02447	2.3
105.03451	1.3
109.02997	0.9
111.04511	2.2
113.02460	1.1
127.04012	3.1
127.82522	0.7
132.02196	3.8
133.02974	8.0
134.03763	1.0
135.04568	5.9
139.11230	0.8
160.01685	10.0
161.02463	13.5
162.02870	1.2
165.05507	1.1
173.04544	4.4
177.01900	3.6
179.03543	1.8
180.03783	0.8
180.62784	0.7
191.05638	100.0
192.05995	2.5
215.05615	1.3
305.54996	0.9
339.08740	25.4
340.09119	2.3
351.07239	5.1
357.09772	1.0
471.26315	1.2
489.27036	1.8
531.15222	15.3
531.27740	5.8
532.15118	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	531.1513
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
61.87185	1.5
63.02409	2.0
69.18568	4.9
69.18989	8.5
87.45998	1.7
90.21895	1.4
107.01389	4.4
133.02991	3.4
151.00371	5.9
174.33075	1.7
199.04047	2.6
227.03470	3.2
241.58733	2.0
256.03784	4.1
284.03302	80.5
285.04068	99.8
286.04498	5.3
350.64423	1.6
379.86905	1.6
406.99670	1.7
419.64496	1.6
467.46887	2.0
531.15131	100.0
532.15253	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.98041	1.1
57.03442	1.7
58.00586	2.4
59.01385	69.9
61.98830	3.1
69.28171	5.0
71.01389	34.8
71.26795	0.7
72.97549	2.3
72.99308	3.2
73.02972	4.0
74.99088	1.3
75.00880	0.9
81.03461	5.3
83.01392	2.1
85.02964	9.7
87.00887	16.4
89.02457	32.4
93.03484	1.2
95.01408	2.1
97.42801	0.8
99.00912	0.8
99.04530	7.6
101.02457	21.0
113.02468	16.4
117.97382	0.9
118.98120	1.1
119.03522	16.1
125.02456	1.1
128.03548	1.4
129.05585	1.4
131.03458	1.0
135.02805	2.1
143.03542	3.2
149.04396	3.3
151.02318	0.9
159.03040	0.8
161.04588	7.2
172.89723	0.9
177.03757	1.0
179.05652	6.2
191.05646	3.4
192.00639	1.0
195.06622	0.9
200.79338	0.7
207.03070	1.3
221.06593	1.2
339.05191	2.7
351.09122	2.5
458.26736	0.9
462.55905	0.9
531.15472	100.0
532.15839	9.8
540.90179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
56.98041	1.1
57.03442	1.7
58.00586	2.4
59.01385	69.9
61.98830	3.1
69.28171	5.0
71.01389	34.8
71.26795	0.7
72.97549	2.3
72.99308	3.2
73.02972	4.0
74.99088	1.3
75.00880	0.9
81.03461	5.3
83.01392	2.1
85.02964	9.7
87.00887	16.4
89.02457	32.4
93.03484	1.2
95.01408	2.1
97.42801	0.8
99.00912	0.8
99.04530	7.6
101.02457	21.0
113.02468	16.4
117.97382	0.9
118.98120	1.1
119.03522	16.1
125.02456	1.1
128.03548	1.4
129.05585	1.4
131.03458	1.0
135.02805	2.1
143.03542	3.2
149.04396	3.3
151.02318	0.9
159.03040	0.8
161.04588	7.2
172.89723	0.9
177.03757	1.0
179.05652	6.2
191.05646	3.4
192.00639	1.0
195.06622	0.9
200.79338	0.7
207.03070	1.3
221.06593	1.2
339.05191	2.7
351.09122	2.5
458.26736	0.9
462.55905	0.9
531.15472	100.0
532.15839	9.8
540.90179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55484	1.9
55.01881	2.1
59.01384	100.0
60.39037	1.6
61.01795	1.8
67.75496	2.0
69.03436	2.4
69.11335	16.4
69.15952	1.8
69.22585	1.8
71.01389	43.5
72.99313	2.6
73.02950	8.1
75.00894	3.1
78.95894	2.0
80.23450	2.2
82.95396	2.3
83.01388	8.2
85.02964	12.7
87.00871	8.1
89.02452	24.0
93.03468	2.5
94.74780	2.0
95.01416	3.6
96.96016	8.1
99.00902	4.9
99.04590	2.5
101.02457	24.8
111.00869	3.0
112.85921	1.8
113.02460	23.6
116.59192	1.9
118.98123	3.9
119.03500	12.8
121.54499	1.8
125.02497	5.3
131.03563	2.7
134.03792	3.1
135.03029	1.8
143.03508	3.7
154.99844	6.2
155.03526	4.1
156.07663	2.1
161.04611	11.5
177.05585	3.8
179.05554	5.8
191.05656	9.3
193.05115	4.5
203.05690	5.4
225.14952	2.0
227.12909	3.3
287.15015	7.6
311.07626	2.0
352.16205	2.1
405.17657	3.6
441.14008	2.8
445.17270	6.0
471.26196	5.7
531.19336	3.2
531.27563	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	531.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.8
57.03447	1.8
58.00608	1.2
59.01386	46.3
61.01188	1.0
61.98829	2.5
66.95924	2.4
67.01903	1.3
70.56886	3.0
71.01395	52.5
72.01751	1.5
72.99307	2.6
73.02955	8.7
78.62601	1.1
82.95429	100.0
83.01389	6.7
84.95126	2.8
85.00447	1.3
85.02956	18.3
86.00124	1.3
87.00881	10.0
89.02459	52.0
93.03476	4.4
95.01393	4.6
96.96049	1.5
98.22174	1.9
99.00906	3.0
99.04523	2.1
101.02460	36.1
109.03015	5.3
113.02474	24.6
114.02755	1.2
115.04006	1.0
119.03528	19.0
122.37218	1.0
125.02512	1.7
127.04035	2.0
131.03537	12.4
133.02960	3.4
137.09721	1.7
143.03500	6.2
147.04573	1.5
149.04514	2.0
154.99875	1.6
155.03548	1.4
159.03107	1.7
159.04503	2.5
160.01730	1.3
161.02515	1.6
161.04584	21.0
175.04004	1.9
177.01959	2.3
179.05637	52.4
179.07217	2.5
191.05632	38.6
221.06696	42.0
222.07025	1.7
229.01405	5.2
249.05672	2.4
263.07767	17.3
266.05530	1.3
267.06613	4.3
277.05099	2.5
284.03226	3.8
285.04095	10.0
286.04294	1.8
293.04602	2.0
295.06097	5.3
339.05136	20.6
339.08765	2.8
340.05573	2.5
447.09406	9.8
448.09320	1.4
531.11639	4.6
531.29376	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	531.2969
Annotation	WIKSTROELIDE E
Peak:m/z	Relative Intensity
52.22502	1.2
59.01368	2.1
60.99302	1.2
70.52986	3.6
91.12087	1.2
98.57051	1.2
102.09901	1.1
132.35083	1.1
139.00677	1.1
140.73579	1.1
208.27672	1.1
373.25366	2.2
389.28735	1.3
439.28577	3.3
451.28696	5.8
465.26794	1.8
467.28134	2.5
483.27536	32.1
484.27747	4.5
531.29706	100.0
532.30115	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	531.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34131	3.0
57.53867	2.7
59.01099	5.3
59.01386	100.0
61.98836	4.5
62.06590	3.3
64.25876	2.9
65.67819	3.0
67.52178	2.8
69.19891	2.5
69.20254	23.1
82.95401	3.8
123.08193	4.2
235.36028	3.0
307.39807	3.2
320.06860	3.4
376.22894	3.2
423.29175	27.0
424.29486	3.4
427.32129	7.8
441.29987	19.6
441.89191	3.5
471.30267	3.5
487.34818	5.4
509.53622	3.5
513.32526	6.8
531.33752	84.0
532.33716	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	531.3334
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
59.01387	77.7
69.09836	2.3
69.10241	5.5
71.05019	1.0
86.54504	0.9
149.64427	0.9
177.12917	2.1
190.58167	0.9
195.13977	3.3
203.14418	1.4
219.17561	61.3
220.18004	2.9
237.14931	11.9
427.32370	3.6
434.29282	1.0
469.33298	19.5
470.33817	2.5
487.34775	4.5
513.32465	1.4
531.33417	100.0
532.33789	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	531.3334
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
57.03448	3.2
59.01383	14.9
61.98837	0.9
69.13972	3.7
69.14393	2.6
71.05013	1.0
83.05019	1.1
97.36637	0.7
99.85182	0.8
123.08151	1.0
165.78584	0.8
168.77660	0.8
191.14499	6.1
193.15990	2.0
219.13887	1.0
229.42601	0.8
235.13522	0.8
235.16884	0.8
237.15012	8.2
251.20172	3.0
252.20630	3.3
285.03476	0.8
401.34073	1.0
427.32224	2.0
469.33347	1.1
487.34686	7.2
531.33331	100.0
532.33765	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	531.3697
Annotation	Rubianol d
Peak:m/z	Relative Intensity
56.36785	1.0
59.01385	37.6
59.60869	1.2
59.65177	1.4
61.45177	1.0
61.98842	6.9
62.69092	1.2
67.62634	1.5
69.14346	4.7
69.14773	5.5
69.74179	1.2
71.05035	1.6
85.85822	1.1
97.06599	1.3
111.08174	3.8
137.09752	2.7
139.11340	5.1
207.17587	7.7
219.17566	1.5
237.18549	7.2
279.23315	6.5
398.33655	1.4
428.36868	1.3
436.40247	1.3
453.33926	7.7
469.33643	3.4
471.35471	1.6
485.36511	3.3
487.38449	1.7
488.07547	1.4
489.36121	2.1
513.36066	23.2
513.43182	2.2
514.36621	2.9
531.37189	100.0
532.37500	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	531.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	41.9
61.98837	3.3
67.41732	0.8
69.03694	8.7
71.05036	1.8
73.41075	0.7
78.95921	10.3
83.05040	0.9
106.47495	0.9
117.09113	1.0
118.98359	0.9
137.09648	0.9
152.99620	2.3
196.89531	7.5
224.07033	3.5
255.23334	25.7
256.23679	18.8
278.22083	1.1
313.77658	1.0
381.30939	1.0
425.34256	1.1
427.36188	4.5
469.33203	2.0
471.34967	1.7
473.32721	2.1
480.31082	8.4
481.31354	12.3
487.38437	17.7
488.38220	2.6
494.67865	1.1
503.34018	2.8
531.37457	100.0
532.37622	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	531.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	2.9
58.00848	0.6
59.01142	0.6
59.01390	7.6
60.99287	0.9
66.20697	0.5
69.58221	2.0
69.58633	1.2
75.00887	3.4
79.54708	0.5
79.98344	0.5
82.83401	0.6
109.01460	0.5
116.37853	0.6
207.17595	0.6
264.01865	0.6
445.37354	0.7
453.33807	1.2
455.35361	9.9
456.35843	1.2
457.37274	0.8
467.35516	0.9
469.37671	1.3
483.34717	1.3
485.36423	1.3
487.33862	1.8
487.38019	3.4
495.34634	2.8
513.35968	2.2
531.36963	100.0
532.37213	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	531.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76589	0.7
57.01918	0.5
58.14429	0.6
59.01386	16.7
61.98833	1.1
68.22642	0.5
70.84412	1.5
78.95860	0.7
109.44880	0.5
141.34108	0.6
175.11238	1.4
177.12915	4.3
178.13255	0.7
191.14442	6.4
193.15993	30.0
194.16312	1.9
203.14458	2.5
207.13852	0.9
219.17485	3.9
226.80617	0.8
279.23282	0.9
366.41174	0.6
380.54297	0.7
409.34982	1.9
427.35770	2.2
453.33704	1.2
469.37308	3.1
470.37192	0.9
471.34662	1.9
487.38098	0.9
513.35901	5.8
514.35913	0.7
531.36981	100.0
532.37341	14.2
550.25256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96915	1.4
57.03445	1.6
59.01389	15.8
69.07034	14.1
72.47208	1.5
74.54816	1.3
76.08540	1.5
83.12638	1.5
98.45398	1.4
99.53187	1.3
107.16940	1.7
166.10190	1.6
178.98355	1.5
193.16032	18.4
219.17520	2.0
316.64349	1.4
427.35965	3.1
453.33606	2.0
453.93439	1.6
469.36975	2.1
471.34750	1.8
487.38498	2.8
503.36502	4.0
513.36157	5.1
531.36969	100.0
532.37207	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	533.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
63.02399	1.2
65.00340	1.6
68.29861	0.6
69.11140	5.2
71.13589	0.6
91.66763	0.9
98.71748	0.6
107.01402	2.7
109.02979	0.8
109.63383	0.6
132.47975	0.6
133.02977	4.8
134.03767	1.0
149.02475	1.3
149.99551	0.7
151.00427	5.2
161.02470	0.6
175.03976	1.5
199.04015	1.9
200.04703	0.8
201.01970	0.9
211.04042	1.3
217.05083	1.7
220.94382	0.6
227.03487	2.7
240.04373	0.7
249.15862	0.6
255.03049	1.4
256.03751	5.3
283.02521	0.9
284.03299	71.2
285.04062	100.0
286.04422	6.4
327.05267	1.3
396.99670	0.6
409.25266	0.8
447.09241	1.8
453.53226	0.6
489.10455	97.6
490.10800	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	533.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03436	0.7
58.00603	0.6
59.01386	25.0
61.98827	1.3
65.00327	1.5
68.95830	5.9
71.01390	12.5
72.99297	0.7
73.02947	2.3
75.00877	1.2
83.01408	2.6
83.05000	0.6
84.95137	2.2
85.02966	3.7
87.00880	1.4
89.02459	12.8
93.23610	0.5
95.01404	1.3
97.02940	0.7
99.00912	1.0
101.02456	9.2
107.01392	1.5
109.02927	0.6
113.02463	6.5
119.03528	4.7
121.02947	0.9
124.01682	0.6
125.02473	0.9
127.00376	0.9
131.03526	1.2
133.03017	1.3
134.03731	1.2
135.00914	1.1
135.02988	2.9
143.03508	1.2
145.01462	1.1
147.03018	0.6
151.00412	5.2
161.02417	1.3
161.04575	3.9
162.05650	0.6
163.00415	0.9
165.01988	1.1
174.23914	0.6
176.01128	1.4
177.01999	0.9
179.05595	3.3
189.02113	0.8
191.03589	0.7
199.04041	1.1
201.01901	0.6
205.12437	0.6
211.04025	1.2
213.02016	0.9
219.03001	3.6
220.03635	0.9
221.06676	1.3
227.03537	3.3
227.12935	1.7
239.03487	2.6
241.05185	0.8
242.02322	1.2
243.02972	7.7
255.02959	5.3
256.03796	5.9
257.04285	0.7
263.07755	0.6
267.03009	1.8
281.04532	0.7
283.02518	5.9
284.03311	20.6
285.04016	5.9
287.15063	2.0
297.03946	2.2
298.04865	1.3
299.05554	1.0
310.01382	1.2
311.02002	14.0
312.02621	1.3
313.03479	2.9
325.03305	0.7
342.03824	0.8
343.04587	1.8
370.03342	5.3
371.04141	35.2
371.20767	0.7
372.04492	2.3
405.17856	1.2
413.05365	0.9
415.19751	2.2
465.02774	0.6
517.78680	0.6
533.09460	100.0
533.17535	4.8
533.26367	3.2
534.09747	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	533.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12447	0.6
61.98827	2.4
62.63856	0.5
69.12354	1.9
69.12775	2.2
78.95914	27.4
92.81158	0.5
96.96007	1.9
96.96983	1.0
98.95602	2.0
116.92854	0.6
118.19485	0.5
152.99611	10.1
169.23466	0.5
178.88457	6.7
179.89291	3.8
180.90016	8.2
192.44403	0.5
194.87857	0.7
196.89510	100.0
197.87943	0.7
197.89478	3.7
234.91187	0.6
241.49867	0.6
280.23682	0.8
317.46750	0.5
347.11456	0.8
433.23532	1.2
457.10986	0.9
459.12375	0.7
533.16254	6.9
533.32306	2.1
534.16626	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98038	44.5
59.01136	2.4
59.01384	29.5
61.98816	3.2
68.22171	1.7
69.47018	10.6
71.01385	23.4
73.02934	6.1
75.02404	3.4
81.76614	1.9
82.69405	1.9
82.95429	11.2
82.99617	4.1
83.01345	2.9
84.95127	59.1
85.02946	8.2
87.00869	6.1
89.02473	12.0
93.03448	7.7
95.01414	3.5
95.27586	1.9
98.21857	4.0
99.08150	7.0
101.02490	10.1
105.92477	1.9
109.01189	51.4
109.02944	3.8
109.06593	2.5
113.02451	7.0
116.92886	2.4
119.03503	4.6
121.02966	3.6
129.09256	22.3
131.03554	1.9
134.03737	3.6
143.03491	2.4
147.02977	2.3
149.02438	2.6
150.03189	3.8
153.00175	100.0
160.01627	2.4
161.02483	4.0
161.04556	4.3
175.03987	3.5
179.02042	2.3
179.05630	7.4
186.57826	2.2
191.05644	5.9
193.05072	4.7
196.99164	20.1
219.63612	2.1
221.06424	3.5
239.07181	5.3
247.44014	2.4
249.05717	3.8
251.07100	10.4
262.06296	2.6
263.07117	7.2
266.26544	2.0
267.06586	14.5
279.06653	16.0
282.09155	10.1
283.10074	18.0
284.03293	2.2
285.04041	10.2
294.05389	6.2
294.09097	2.7
295.06033	3.8
301.19443	2.3
309.07767	5.3
310.08264	2.8
322.08249	4.7
323.05511	11.4
323.08917	2.3
326.07925	6.9
327.29825	2.2
338.08038	14.1
341.10321	43.1
353.10294	64.4
354.10687	4.6
371.03967	2.2
398.76855	2.1
447.09497	3.8
449.47849	2.1
533.09692	3.1
533.17041	4.3
533.29553	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	533.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
59.35658	0.4
70.93239	0.5
70.93587	0.5
71.01391	0.6
85.02962	7.6
87.00883	1.6
93.03473	2.6
109.03023	0.4
111.04526	0.4
127.04028	1.9
144.36043	0.4
151.71719	0.3
173.04538	1.0
191.05627	100.0
192.05991	3.0
196.71881	0.4
364.43750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03469	1.4
58.00602	4.8
58.02975	0.7
59.01386	100.0
60.01707	0.6
61.98822	0.3
69.03457	0.4
71.01391	66.5
71.35720	0.4
72.01720	0.7
72.99317	5.7
73.02953	3.8
75.00871	0.7
76.60135	0.2
83.01404	3.0
84.02166	0.5
85.02962	13.4
86.03288	0.3
87.00883	3.9
89.02456	85.7
90.02793	1.0
95.01398	4.0
96.96056	0.3
97.02992	0.7
99.00915	1.3
99.04572	0.4
101.02457	39.2
102.02840	0.5
107.03601	0.3
109.04109	0.4
111.00897	0.6
113.02466	27.5
114.02798	0.5
117.57527	0.3
119.03518	42.5
120.03838	0.7
125.02470	0.9
125.07217	1.7
127.05145	2.2
128.03561	0.9
129.01953	0.3
131.03516	4.3
135.03009	0.7
143.03525	6.0
143.08324	0.3
145.06229	3.2
147.04501	0.3
149.04576	3.7
161.04578	8.1
167.03526	0.4
169.06274	0.6
179.05630	15.2
180.05983	0.5
187.07254	1.3
191.05606	0.6
210.15530	0.3
227.12906	0.6
287.15045	0.6
296.06839	0.3
299.05652	0.5
308.67490	0.3
341.05740	0.8
353.19931	0.6
366.53339	0.3
371.09988	0.4
371.20847	0.3
415.20920	3.1
416.21555	0.4
533.26068	10.9
534.25873	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03455	1.8
58.00600	4.0
58.02986	0.6
59.01386	100.0
60.01726	0.8
63.27482	0.3
69.24687	1.6
69.25098	0.7
71.01390	62.3
72.01720	0.4
72.45802	0.3
72.99316	4.2
73.02953	3.3
73.81728	0.3
75.00887	0.8
80.91644	0.4
83.01397	3.3
85.02962	13.2
87.00880	4.0
89.02455	85.1
90.02781	0.8
95.01402	3.9
97.03011	0.5
98.21836	0.7
99.00897	1.0
99.04514	0.3
101.02455	36.7
101.16395	0.3
102.02769	0.6
105.06444	0.3
107.01385	0.4
109.04066	0.4
111.00919	0.4
113.02466	27.8
114.02757	0.5
119.03516	39.9
120.03880	0.6
124.18472	0.4
125.02454	0.7
125.07222	1.5
127.05133	1.7
128.03561	0.5
131.03526	4.2
131.84102	0.3
135.03065	0.6
143.03531	6.1
143.08247	0.3
145.03046	0.4
145.06195	2.6
146.89668	0.4
149.04576	3.4
161.04576	8.1
166.02667	0.4
179.05632	15.4
180.05893	0.4
187.07210	1.4
191.05609	1.0
207.14018	0.4
224.23451	0.3
227.12984	0.5
230.65524	0.3
245.11420	0.3
298.04846	0.4
299.05356	0.9
353.19669	0.7
371.09451	0.4
415.20773	3.5
495.57593	0.4
533.26282	10.5
534.25323	0.7
551.98578	0.4
555.24261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2612
Annotation	Staphylionoside G
Peak:m/z	Relative Intensity
55.01886	5.5
57.03459	8.1
57.83458	0.9
58.00579	3.5
59.01387	75.3
61.98829	3.7
68.99825	1.0
69.03433	1.6
69.42425	4.3
69.42843	2.6
71.01392	99.6
72.01712	1.6
72.99300	4.8
73.02957	26.8
73.39285	0.9
75.00867	2.1
81.03450	1.5
83.01392	17.8
84.95116	2.3
85.02960	48.2
87.00886	8.2
89.02460	35.1
95.01412	8.2
97.02940	3.1
98.22497	1.9
99.00890	11.5
101.02455	81.7
102.02798	1.2
105.65329	1.1
109.01129	1.2
111.00889	2.4
113.02465	50.6
116.92895	1.1
119.03523	15.2
120.99646	3.0
125.02466	6.0
129.01929	2.1
131.03496	2.1
135.04510	1.3
137.09717	1.6
143.03511	6.8
149.06065	1.0
159.03023	9.2
161.02446	2.3
161.04576	43.1
171.63562	1.2
179.05621	5.2
205.03481	1.1
209.15448	8.1
221.06619	3.8
263.32214	1.0
265.04980	1.0
269.98599	1.3
283.10114	4.2
285.04123	1.5
305.17407	1.2
309.68500	1.1
337.09381	1.2
337.69083	1.1
371.20767	100.0
372.21054	6.6
475.54160	1.1
489.10254	1.2
489.32367	2.4
533.18469	3.8
533.25958	85.0
534.18860	1.4
534.26294	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	533.313
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03452	1.8
59.01387	7.4
60.99310	1.9
61.98834	2.0
70.46844	0.9
70.47189	2.1
71.65948	0.8
73.02942	1.3
76.00099	0.8
101.02412	1.0
105.82686	0.9
129.31146	0.9
134.35576	0.8
148.31096	0.9
247.94054	0.8
285.03897	1.3
311.22391	3.4
345.62546	0.8
375.27231	1.5
377.28452	1.4
379.30206	1.8
391.30255	3.5
441.30191	2.5
453.30173	5.9
457.29596	1.3
467.28409	1.9
469.29752	1.0
485.29172	31.2
486.29349	4.0
489.32129	1.4
533.31329	100.0
534.31714	10.9
536.06781	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3492
Annotation	Agosterol F
Peak:m/z	Relative Intensity
59.01389	17.0
61.98810	10.7
70.79098	13.0
78.95892	14.8
81.71506	6.0
121.37160	7.8
151.11156	6.7
165.85889	6.0
187.76898	7.6
278.22198	7.4
391.26395	8.1
407.29611	35.8
473.32822	100.0
474.33014	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	533.3491
Annotation	CHEBI:69364
Peak:m/z	Relative Intensity
52.96258	0.5
56.48960	0.5
57.05792	0.5
59.01386	29.6
61.98842	0.7
70.40733	1.9
71.05025	3.3
83.45068	0.5
96.96037	0.8
118.12144	0.6
207.17609	2.3
320.23608	0.7
391.18292	1.6
413.31143	0.7
422.75067	0.6
427.32468	0.9
429.34088	1.7
455.31876	2.6
469.33347	3.3
471.34827	23.5
472.35040	3.0
485.32660	1.0
489.36429	4.2
503.33832	18.8
504.34207	2.2
515.34277	3.3
533.34998	100.0
534.35309	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	533.3491
Annotation	Agosterol F
Peak:m/z	Relative Intensity
57.03430	1.4
58.50322	1.2
59.01387	70.3
61.98828	2.8
67.42348	1.1
71.33809	1.1
78.95921	5.3
93.76314	1.0
95.05056	2.6
99.43307	1.3
111.35188	1.2
149.60591	1.0
161.09782	1.3
163.30186	1.0
177.12885	1.9
179.10873	1.2
196.03745	1.3
219.17595	2.1
237.18694	2.7
239.16635	1.3
249.18658	1.7
273.49597	1.2
274.54474	1.2
279.23386	12.7
327.26987	1.2
365.27036	3.0
427.32199	27.6
428.32382	1.4
429.34384	1.6
443.93854	1.3
445.33466	7.9
455.31891	5.0
471.34714	1.6
473.32901	3.5
476.28107	8.6
487.34448	17.4
487.41061	1.3
488.35477	1.2
489.36151	1.7
515.33850	36.3
516.34430	4.7
533.35107	100.0
534.35382	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	534.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66013	1.0
57.03437	1.8
58.00580	1.3
58.02970	3.6
59.01386	67.8
61.98828	1.2
67.46397	0.9
71.01025	1.6
71.01391	16.7
72.99313	1.6
73.02939	3.6
75.00869	3.5
83.01395	1.7
84.04556	5.1
85.02958	5.0
87.00877	2.3
89.02462	17.9
95.01360	1.2
99.04542	1.4
100.07703	8.0
101.02464	11.6
102.05621	59.0
113.02450	10.0
117.01917	1.3
119.03497	8.0
126.05623	3.2
128.03558	100.0
129.03912	2.6
131.03499	1.2
135.03015	6.2
136.47125	1.0
143.03523	1.7
144.06676	9.5
146.04620	24.5
147.02980	2.8
161.04541	3.6
162.83989	1.0
170.04634	7.9
179.05646	4.7
188.05676	7.9
191.05562	1.4
207.14020	2.2
209.11893	4.1
209.67557	1.2
225.15045	5.0
227.12924	18.8
269.13968	7.2
285.78848	1.0
287.15067	20.6
288.15347	1.2
312.17972	1.5
354.19278	1.5
356.16995	1.2
398.18359	5.0
405.17700	3.2
416.19290	59.2
417.19000	6.1
434.46234	1.1
475.21860	5.4
493.23074	4.6
516.20953	4.5
534.21973	73.9
535.21637	12.4
535.31055	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	534.329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60525	2.2
59.01389	14.8
61.98837	9.4
68.97897	25.2
71.01389	3.3
78.95919	9.0
84.36090	2.4
96.96051	2.7
105.14370	2.3
117.37180	2.1
117.75572	2.4
119.58130	2.2
122.25527	2.3
134.18216	2.5
152.99612	6.7
161.04559	2.5
196.89516	12.2
197.89598	4.9
253.09256	11.6
255.23325	100.0
256.23651	5.7
265.37506	2.9
466.23953	2.6
534.35834	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	534.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27956	1.7
59.01378	3.0
61.98841	14.7
70.89200	4.2
71.01366	2.4
78.95908	32.4
85.02899	1.7
89.02449	2.2
97.67453	2.0
124.94617	1.7
132.92007	1.7
152.99612	27.5
178.88472	2.5
181.90117	2.2
196.89517	27.3
197.89536	16.9
198.89426	2.4
235.08421	2.8
253.09357	15.7
255.23325	100.0
256.23657	5.7
433.23572	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	535.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41347	0.8
55.01867	2.7
55.32143	0.9
59.01390	13.4
60.01707	1.2
69.18383	7.4
71.01389	11.5
72.99319	1.4
73.02927	1.2
75.00870	1.7
82.91722	1.0
83.01386	1.7
85.02950	2.7
86.84533	0.9
87.00867	2.1
88.35337	0.9
89.02463	8.0
93.03497	1.3
96.95981	1.2
99.00908	0.8
101.02473	4.4
106.03321	1.0
108.02172	3.6
108.81647	0.8
109.02956	10.1
113.02477	3.0
115.00385	6.1
119.03502	2.6
121.02967	1.8
122.03756	18.8
124.01678	10.9
125.02422	1.1
133.02977	21.2
135.02946	1.3
135.04521	3.6
137.02432	4.1
138.65800	0.8
143.03394	0.9
146.03719	1.6
147.04549	12.5
148.05321	7.3
149.06018	1.0
151.00247	0.8
151.03983	2.6
152.07095	1.0
154.02782	5.5
154.99890	10.3
160.05280	1.9
161.04739	1.4
161.06082	11.1
163.04005	2.3
172.60065	0.9
179.03500	1.8
179.05698	1.7
191.05576	1.9
199.09784	0.9
208.06157	1.2
213.05482	1.8
241.05171	4.4
242.05890	17.8
255.06679	2.4
256.07425	1.4
257.05652	1.3
257.08212	17.1
258.08664	1.5
268.07458	1.1
269.08295	5.2
270.08997	21.3
271.09091	1.2
282.79019	1.1
283.09665	6.5
285.11359	100.0
286.11664	7.4
323.09988	1.5
329.10394	10.2
373.09262	5.5
535.14471	44.4
536.14966	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57172	0.6
57.25204	0.6
59.01388	26.8
61.45996	0.6
61.98837	43.0
66.95926	3.3
69.12659	0.9
69.13058	4.9
71.01395	7.1
73.02948	2.0
75.00893	0.9
76.09127	0.7
79.51945	0.7
80.91692	2.3
82.95425	100.0
83.01404	1.3
83.02530	0.9
85.02947	2.0
85.98804	0.7
87.00887	1.1
89.02451	6.3
93.03458	0.7
93.48993	0.7
95.01393	0.8
98.06321	0.6
99.00894	0.7
101.02426	4.3
108.02203	0.6
113.02457	4.0
117.03469	0.8
119.03513	2.6
121.02992	1.8
124.01738	0.8
125.02461	0.8
132.02205	1.1
133.03023	1.0
134.03778	1.1
135.03014	2.3
135.98372	0.9
136.01688	1.2
137.02484	1.0
140.27872	0.7
143.03603	0.9
145.02989	1.7
147.03078	1.4
147.04558	3.0
148.05325	0.7
149.02457	0.7
150.03246	1.8
151.04012	3.8
153.01913	0.7
158.03795	1.1
159.04498	1.8
160.01656	3.4
160.05345	4.7
161.02467	10.6
161.04623	1.6
161.06099	3.0
162.03253	16.6
163.03951	1.6
164.04852	1.5
165.05565	5.9
175.03986	1.4
175.07678	2.8
177.05563	15.7
179.05682	2.3
181.05087	1.9
191.05702	2.0
193.05151	1.2
221.06004	1.1
223.05791	0.8
223.07784	1.3
225.05646	0.9
227.12962	1.6
237.05594	1.3
239.07167	3.5
249.05635	2.7
250.06030	0.9
251.07079	1.5
254.02150	0.9
265.05145	1.1
266.05637	1.1
267.06653	4.5
268.07275	0.9
269.08212	2.5
277.05051	2.2
278.06070	1.0
279.06595	2.3
280.07474	1.6
281.08203	0.7
283.06155	2.9
283.09674	1.0
284.10709	1.1
285.11600	1.8
287.15002	1.0
294.09064	2.8
295.06116	4.3
295.09277	1.0
297.07773	1.8
298.08575	5.1
299.12918	1.6
307.06165	1.4
308.06900	1.2
310.08484	5.1
311.09698	0.7
313.07352	1.6
313.10852	10.8
314.11075	1.2
322.08496	1.5
323.09247	1.6
325.07211	12.9
325.10898	16.1
326.07727	1.3
326.11322	1.0
328.09628	4.3
329.13956	16.9
330.14307	1.1
337.10980	1.8
339.08945	0.9
340.09537	23.4
341.10007	1.6
343.11905	20.8
344.12192	2.0
355.11890	43.1
356.12390	2.9
373.12997	2.8
407.29245	0.9
417.17749	1.2
487.16232	3.9
493.23486	1.0
505.16965	7.0
506.17572	0.8
517.17273	6.1
535.20337	2.7
535.32727	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	535.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
60.65147	0.7
69.30729	3.1
69.31141	1.3
75.96150	0.7
82.79397	0.6
82.87956	0.6
116.42029	0.6
121.92812	0.6
126.49704	0.6
132.02150	0.8
138.12686	0.6
143.05084	1.3
145.02985	2.9
146.03758	2.5
147.04532	2.9
158.03769	3.8
159.04489	0.9
160.01643	1.9
161.02463	0.7
161.06071	2.1
165.05573	6.6
175.04051	0.8
177.05551	0.7
178.06311	0.7
189.05606	1.3
195.08107	0.7
207.06583	2.6
209.06097	0.8
221.06123	1.1
223.07599	2.1
235.07593	0.7
237.05589	2.0
237.09285	0.8
239.07146	1.6
248.04781	0.9
249.05606	4.0
250.06270	1.2
251.07065	4.0
253.08768	1.4
263.07181	3.3
265.05075	1.1
266.05878	1.1
267.06680	5.0
268.07339	1.2
269.08185	3.1
277.05075	3.7
279.06699	1.8
280.04526	0.7
280.07376	3.7
281.08136	3.9
282.08936	0.9
283.06192	2.6
285.07718	0.9
291.06680	3.8
293.08191	1.1
295.06110	8.9
296.06702	1.3
296.48041	0.7
297.07709	2.7
298.08423	1.4
306.09015	0.9
307.06171	2.1
308.06888	6.1
309.07703	42.4
310.08417	22.8
311.08936	2.1
313.07620	1.2
313.10843	3.3
323.09232	4.4
324.06500	1.3
324.10043	12.8
325.07172	29.6
325.10855	25.8
326.07510	2.2
326.11176	2.0
328.09512	2.5
338.08142	0.8
339.08661	2.0
340.09595	6.9
341.09921	0.9
343.11896	26.2
344.12158	2.5
355.11890	100.0
356.12259	8.5
373.12885	8.9
374.13043	1.0
471.12997	2.7
485.14389	1.0
486.15192	3.6
487.15610	0.9
505.17117	8.2
506.17325	0.7
517.17200	11.3
518.17487	1.1
535.18292	9.9
536.17981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12968	0.7
51.73497	0.7
53.88570	0.8
55.01867	0.8
57.03456	1.3
58.00601	0.8
59.01384	52.2
61.98830	3.2
71.01393	19.5
72.99308	1.6
73.02950	2.9
76.92922	0.7
83.01398	1.6
85.02969	5.2
87.00894	2.5
88.98811	0.9
89.02454	19.9
89.02974	1.6
95.01406	2.2
100.52411	0.8
101.02458	13.0
104.05072	2.9
106.06635	2.6
108.04563	4.2
113.02462	9.3
119.03515	7.0
128.03552	0.9
131.03598	1.3
132.04575	35.8
133.04900	1.1
134.06140	24.8
135.03049	1.7
135.06456	1.1
144.04547	1.5
148.04086	1.4
150.05614	0.8
152.07242	3.9
158.02406	1.1
158.06126	4.6
160.04048	1.8
161.04535	1.8
163.26782	1.0
176.03528	8.2
179.05475	1.2
188.03500	2.8
190.05106	5.0
202.05142	0.9
251.11870	5.2
255.11392	2.4
263.35446	0.8
279.11404	18.6
287.15042	1.6
295.10889	3.0
314.12411	2.6
323.10364	9.2
337.12125	1.2
342.63980	0.8
355.13348	1.1
373.13342	1.6
404.73416	0.9
415.23358	1.6
435.17886	4.4
459.17838	18.5
460.17987	1.9
475.17126	2.9
475.25562	1.6
493.23425	1.0
503.16788	100.0
504.17209	8.7
517.18420	7.0
535.19305	9.1
536.19879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.1
61.98834	5.3
63.52983	1.1
70.92742	2.5
71.01369	3.5
73.02927	1.6
84.37202	1.2
85.02968	1.7
93.03465	1.6
95.01428	1.8
108.02172	12.5
109.02973	5.3
121.02963	5.2
123.04551	10.6
134.03778	1.8
135.04535	4.8
136.01682	67.2
137.02530	8.2
145.02954	2.5
145.32402	1.6
147.04532	2.0
149.02480	4.1
149.06110	1.5
150.03268	8.8
151.04024	59.3
158.03679	1.4
159.04584	2.7
160.05359	2.4
161.06087	5.6
162.03220	2.7
163.04066	3.9
165.05571	3.2
172.05312	2.9
173.06134	4.0
175.04036	5.5
175.07663	2.1
176.04866	2.2
177.05623	4.7
186.03319	1.7
187.03949	2.3
188.04810	2.2
189.05586	6.4
190.06349	5.7
191.07153	4.8
193.05063	4.3
196.03748	1.5
201.05565	2.5
203.07159	1.8
205.08795	1.8
225.05583	1.9
225.25888	1.3
239.07179	1.4
241.05113	2.7
251.07283	1.6
253.05034	7.1
264.07819	1.8
265.05048	2.3
266.05884	3.1
267.06741	1.7
268.07486	2.9
269.04645	7.6
275.07153	2.4
279.06757	2.8
280.07483	5.0
281.04645	14.6
281.08197	6.0
282.05283	1.6
283.06107	2.0
284.06946	5.1
291.06781	2.0
293.08231	2.9
295.06250	2.7
295.09799	2.6
296.06958	17.0
296.10464	3.5
299.09277	8.2
300.09692	1.8
307.06137	1.7
309.07574	1.9
310.12180	1.6
311.09299	21.3
312.09415	1.9
321.07828	3.3
323.09274	3.7
324.10114	6.9
326.11469	1.6
336.10025	4.7
338.11755	1.8
339.12454	9.2
351.12393	3.1
355.12000	3.1
356.12762	3.1
369.13269	2.0
399.14511	18.5
411.14603	3.6
427.11749	4.2
429.13492	2.2
442.14294	3.3
445.16779	2.9
457.12180	2.9
457.17514	2.0
460.15515	1.9
469.16693	2.7
471.14227	2.0
472.15546	3.2
475.18082	29.1
476.18237	2.7
487.18405	29.9
488.17975	3.2
490.16345	3.5
502.16394	13.4
505.18753	65.8
506.19028	5.7
517.18689	100.0
518.19012	11.7
535.32391	5.2
536.30292	1.5
551.31525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.2
56.06925	0.5
57.03458	6.0
58.00605	1.3
59.01385	100.0
60.01723	1.0
61.98857	1.0
67.01908	0.8
68.95490	0.9
68.95741	1.1
68.96142	3.9
71.01394	13.5
72.99314	1.9
73.02958	4.2
75.00889	7.6
83.01407	3.6
85.02963	6.0
87.00916	2.1
87.04494	0.5
89.02456	11.4
95.01387	1.3
95.05076	0.6
97.06587	0.6
99.00900	2.6
99.04544	2.3
101.02453	6.7
108.02174	0.8
109.02979	1.2
109.06633	1.2
111.00896	6.9
113.02464	5.1
117.01965	1.2
119.03522	5.4
121.06572	0.5
123.00923	1.1
123.04607	0.6
123.49458	0.6
124.01699	1.1
127.07675	1.0
129.01958	11.2
135.03020	13.1
135.98373	1.2
139.11301	0.6
141.02002	0.6
143.03529	1.3
146.03806	0.6
147.03021	24.1
147.04356	1.1
149.04573	0.7
151.00380	0.7
161.04558	2.8
162.03279	1.7
163.04068	1.6
165.04182	0.6
165.12897	1.5
173.02461	0.7
177.04089	1.1
177.05562	1.9
177.17220	0.6
177.77357	0.6
179.05623	2.4
188.04770	0.9
189.04031	0.8
189.12885	0.7
207.13943	5.9
209.11830	5.5
221.06729	0.5
225.14992	19.3
227.12910	43.0
228.13309	1.7
243.12312	1.0
251.12834	2.9
269.13980	17.7
270.14456	0.9
283.15732	0.7
287.15039	35.7
288.15472	2.3
298.08502	2.6
298.41660	0.6
313.10815	8.1
314.10995	0.6
343.11951	1.6
345.15817	0.7
355.18008	0.7
358.10626	1.2
373.12943	12.4
373.18106	1.1
373.25751	0.6
374.12921	0.6
387.16934	1.4
399.16577	10.9
405.17722	4.7
406.17941	0.7
415.23325	0.9
417.17679	44.9
418.18066	3.2
470.67612	0.6
493.22824	0.9
517.19513	2.3
535.20288	41.1
535.31232	4.1
536.20673	5.3
559.46497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15551	1.6
57.03441	2.6
59.01385	84.3
59.69277	1.7
61.98828	7.2
68.75856	1.6
69.19500	4.5
69.19911	10.2
71.01392	20.0
73.02953	10.5
75.00900	2.5
82.21667	1.9
83.01407	3.9
85.02972	7.9
87.00900	2.7
89.02460	11.3
101.02458	13.0
101.16804	1.9
107.01440	2.4
113.02460	11.9
119.03507	6.0
129.01968	2.8
133.02980	3.0
134.06133	3.1
135.03029	3.9
143.03452	2.3
151.00380	4.7
152.00764	2.2
161.04596	6.6
164.07233	4.4
227.12924	5.3
243.12474	2.0
284.03302	31.6
285.03903	53.3
286.04144	53.7
287.04633	41.4
287.15076	6.1
288.04813	3.3
290.90060	1.9
311.14081	2.3
329.57071	1.9
373.13110	2.6
415.23441	15.2
417.17392	3.1
433.24408	5.1
473.32648	2.2
475.25778	2.4
489.10538	8.2
490.10718	6.9
491.11060	100.0
492.11465	10.2
493.22812	4.8
535.20209	6.6
535.31812	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	535.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72697	1.1
56.31765	1.0
59.01386	100.0
61.98825	2.8
69.17076	0.9
71.01389	15.5
71.26983	1.1
72.99300	1.3
73.02955	10.0
74.27176	1.0
75.00867	1.9
79.78227	1.1
82.99402	1.1
83.01395	4.3
84.95117	1.1
85.02964	5.7
87.00903	1.9
87.04531	1.6
89.02455	12.0
99.00877	1.8
101.02448	15.6
108.40066	1.1
113.02467	10.7
119.03502	6.4
131.03551	1.7
135.02995	6.1
136.10815	1.2
143.03485	2.4
149.04553	1.6
161.04572	6.2
179.05589	3.1
255.16498	1.1
271.19196	2.7
287.14639	1.8
390.18365	1.2
415.23367	11.7
417.21548	5.4
433.24338	7.6
475.25635	3.5
535.23657	3.3
535.32043	4.2
544.05347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69092	0.5
55.01890	0.5
57.03449	4.2
59.01384	100.0
60.01736	1.0
61.98840	2.4
67.01903	0.7
71.01383	7.3
71.26195	0.7
72.99332	0.9
73.02961	2.1
75.00877	6.0
83.01410	3.2
85.02943	3.9
87.00921	0.9
89.02455	3.7
97.06586	0.6
99.00887	2.5
99.04553	1.8
101.02441	2.9
109.06599	0.8
111.00902	4.7
113.02502	2.4
117.01974	1.1
119.03529	0.8
129.01961	9.5
129.02855	0.7
133.02953	0.6
134.08466	0.5
135.03000	8.6
135.03879	0.6
147.01854	1.3
147.03012	21.5
151.00385	0.8
165.12909	1.2
189.04156	0.6
195.55682	0.5
204.12462	0.5
207.14006	4.4
209.11858	4.4
225.14973	14.2
226.15536	0.6
227.12917	31.9
228.13281	2.1
251.13007	1.8
251.54916	0.5
256.03534	0.5
269.13971	12.0
284.03342	4.7
285.03922	9.9
286.04172	8.2
287.04620	7.9
287.15048	19.2
288.15558	1.5
373.18777	1.0
379.26706	0.8
387.16705	1.0
391.26425	1.0
395.29770	1.2
399.16702	6.6
400.17081	1.3
405.17377	0.7
407.29523	4.1
415.23831	2.1
417.17676	34.5
418.17941	3.4
423.29224	1.4
433.24670	1.3
454.48282	0.7
483.19315	0.6
489.10739	1.3
490.10944	0.8
491.11053	14.5
491.17807	0.9
492.11615	1.8
517.19751	1.5
535.20728	29.7
535.33160	39.0
536.20538	3.1
536.32959	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	536.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83892	3.4
53.14244	3.6
58.02975	4.4
59.01379	6.2
61.98836	13.0
62.17118	3.3
69.48047	24.5
74.00718	9.9
74.02467	9.9
76.59616	3.4
78.95920	9.9
82.02998	10.7
84.04585	4.7
85.04094	6.7
86.02483	11.3
87.05690	4.8
96.82351	4.0
97.04085	8.2
98.22437	7.7
99.05694	9.9
100.00408	12.6
100.15166	4.3
102.00224	5.5
109.04092	7.3
111.05695	5.5
123.05653	7.5
125.03573	7.9
127.05164	6.9
128.02615	5.0
128.03572	92.9
135.05667	10.8
137.07146	3.5
139.30370	4.4
141.06735	4.9
143.04654	24.2
145.32503	4.2
146.04649	4.8
151.05136	4.7
153.06711	22.2
160.00816	23.0
164.08325	4.9
167.08327	5.7
179.04631	13.6
180.07765	5.8
185.04056	5.8
185.05684	7.4
191.05759	5.5
192.07732	4.4
197.05766	19.9
201.23537	3.6
210.08919	7.3
231.04407	4.8
254.07870	23.4
266.07996	5.0
272.08997	9.7
288.06808	7.4
304.06351	4.8
305.57013	4.0
323.10049	5.8
325.18906	4.3
341.10989	9.7
373.08298	11.9
407.06833	8.8
435.10754	9.7
452.14075	9.6
470.15366	38.1
502.12573	17.8
518.10309	15.5
536.03320	5.1
536.11462	100.0
537.11652	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	536.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.0
61.98838	100.0
69.45950	2.2
71.01380	1.0
89.02448	0.8
101.02435	0.6
109.02993	2.1
111.00917	1.0
113.02548	0.5
119.03579	0.5
135.04544	2.2
144.13004	0.4
147.04637	0.7
149.06143	2.0
151.04053	0.5
161.06168	1.3
171.04555	0.6
175.04034	0.4
177.05579	5.5
179.03543	0.6
189.05591	16.2
190.06032	0.8
191.05641	0.7
201.54163	0.4
207.06657	2.8
213.99634	0.4
219.03198	0.4
221.04567	3.0
231.06807	0.5
249.07921	0.7
267.06464	0.4
297.11481	0.7
311.07733	7.5
311.10983	0.5
323.09946	0.6
327.12503	0.6
345.13385	0.8
351.10822	2.2
375.07047	2.3
395.10110	1.3
413.10962	0.8
473.12967	7.4
473.18906	0.5
474.13281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
61.98836	100.0
62.91925	0.3
69.46500	0.8
69.46910	1.3
85.84538	0.3
95.12593	0.3
95.61869	0.3
109.03003	1.3
111.00906	0.5
134.03860	0.3
135.04538	1.9
146.54939	0.3
149.06142	1.3
161.02574	0.5
161.06093	0.4
165.05611	0.3
177.05588	4.7
179.03575	0.5
189.05577	5.6
189.07120	0.5
207.06653	1.1
221.04518	2.7
228.89847	0.3
231.06570	0.4
249.07944	0.4
267.08954	0.6
311.07755	7.1
311.11081	0.5
312.08160	0.4
351.10953	0.5
375.07040	1.6
395.10190	0.6
396.26682	0.3
473.13046	5.8
554.07709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71939	0.8
59.01387	43.8
61.98838	100.0
71.01386	4.1
73.02948	1.7
75.86716	0.7
82.95441	1.9
85.02975	1.4
87.00867	1.4
89.02455	3.4
101.02460	3.0
105.63575	0.9
113.02465	2.4
119.03545	1.3
135.02988	0.9
141.00839	0.8
161.04591	1.1
227.12781	1.2
252.26859	0.8
350.85239	0.9
368.52322	0.9
387.20245	1.6
416.23889	1.2
536.20648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71939	0.8
59.01387	43.8
61.98838	100.0
71.01386	4.1
73.02948	1.7
75.86716	0.7
82.95441	1.9
85.02975	1.4
87.00867	1.4
89.02455	3.4
101.02460	3.0
105.63575	0.9
113.02465	2.4
119.03545	1.3
135.02988	0.9
141.00839	0.8
161.04591	1.1
227.12781	1.2
252.26859	0.8
350.85239	0.9
368.52322	0.9
387.20245	1.6
416.23889	1.2
536.20648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	90.3
61.92124	14.0
61.98844	100.0
69.16702	59.3
69.17121	64.2
70.71226	14.2
71.01380	22.0
83.16210	14.4
85.02952	18.4
88.98814	25.0
284.03232	19.3
285.03949	23.2
292.90656	15.9
305.92313	15.9
364.82785	14.1
391.96713	14.0
396.88394	19.6
447.09589	27.1
452.03616	15.8
506.18988	22.3
519.19611	15.7
536.33807	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52915	2.1
52.74272	2.4
58.88999	2.6
61.98518	5.0
61.98838	100.0
71.04861	4.1
71.61796	2.2
78.95920	18.2
92.70611	2.4
93.68845	2.2
152.99605	20.8
174.92894	2.6
245.40549	2.3
263.50037	2.4
298.23932	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63424	0.7
57.35102	0.9
59.01381	2.9
60.99318	16.2
60.99632	0.7
69.06428	6.6
82.46816	0.7
88.98818	96.3
90.71876	0.9
107.01370	1.7
133.03018	2.6
147.04572	1.1
149.02428	1.2
151.00381	2.7
175.04012	2.0
179.03632	0.7
199.04025	1.3
217.05013	1.1
227.03531	0.9
241.05077	0.9
255.03093	0.8
256.03864	2.3
263.60596	0.8
284.03287	45.7
285.04068	88.9
286.04376	4.6
327.05081	1.1
434.57800	1.0
447.09384	100.0
448.09680	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	537.1623
Annotation	Alboside IV
Peak:m/z	Relative Intensity
51.65884	0.4
53.69498	0.4
59.01395	2.2
69.35029	0.8
69.35442	1.8
71.01393	1.2
74.21538	0.3
79.25392	0.3
85.43450	0.3
85.77301	0.4
87.00893	0.5
89.02446	1.1
91.05510	0.6
93.03497	0.4
98.21869	0.8
101.02420	0.8
104.00497	0.3
104.96397	0.3
105.02843	0.4
105.03504	1.3
107.05048	1.3
108.02142	0.5
109.02970	0.5
113.02460	0.5
117.03474	0.4
119.03517	0.3
119.05006	0.5
123.25859	0.4
130.08006	0.4
133.02982	7.6
134.03772	5.1
135.04543	98.6
136.01691	0.6
136.04886	3.5
137.02473	1.3
146.03728	0.4
149.02435	0.5
149.06058	0.4
150.03239	1.5
151.04042	0.7
156.99203	0.4
161.02486	2.5
161.06058	0.7
165.05611	1.8
177.01956	7.1
178.02766	2.4
179.03519	100.0
180.03876	4.0
193.05176	0.5
195.06589	0.5
233.04579	1.6
282.09052	0.5
297.11191	0.7
311.08298	0.7
312.09903	0.5
313.10864	0.4
323.07755	0.7
327.08682	1.6
327.12433	1.2
339.08777	1.1
345.12939	0.5
355.11755	0.6
355.15857	0.4
357.09500	1.2
357.12982	1.1
375.10602	2.8
537.15479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13686	0.8
55.18822	0.8
56.12060	0.7
59.01376	3.2
63.48529	0.8
66.73276	0.8
69.15263	7.4
71.01382	2.0
85.02961	1.2
89.02458	2.7
93.03486	1.2
101.02492	1.1
108.02164	1.3
109.02970	27.2
113.02482	1.2
121.02969	3.8
122.03785	1.0
123.04537	1.5
133.02977	2.3
134.03760	1.5
135.04539	14.3
136.01677	11.9
137.24635	0.9
145.02940	3.1
146.03749	3.2
147.04578	1.9
149.02443	1.6
150.03262	3.1
151.04030	15.9
158.03798	1.5
159.04588	1.9
161.02499	2.7
161.06128	4.3
165.05603	3.6
171.04489	1.2
172.05354	1.9
174.03172	1.0
175.03986	6.0
176.04793	5.7
177.01895	1.2
177.05342	1.2
178.02708	1.7
178.99522	1.0
179.01163	0.9
179.03523	12.1
187.07701	1.5
189.05562	4.9
190.06293	4.5
191.07199	7.4
195.06650	2.4
211.07881	1.0
223.07683	1.8
239.07164	4.1
249.05634	1.0
250.06468	1.8
251.07184	3.2
261.05548	1.3
262.06253	1.5
266.05933	2.3
267.06668	41.9
268.07071	3.9
269.08127	1.0
278.05951	1.2
279.06729	8.2
280.07062	1.7
282.09012	39.0
283.09497	3.6
293.08154	2.2
294.09073	6.2
297.08176	3.3
297.11346	100.0
298.11688	8.3
309.11420	1.7
312.10062	12.8
315.12338	1.7
317.03864	0.9
323.07587	1.1
327.12399	66.9
328.12772	5.5
345.13467	46.7
346.13773	3.9
350.95746	1.0
357.13492	10.7
375.14542	46.5
376.14825	6.0
537.20099	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58125	0.7
54.78995	0.7
56.47681	0.8
59.01389	7.0
61.15969	0.8
61.98818	0.9
69.45630	1.6
69.46033	3.2
71.01400	4.4
89.02452	5.0
93.03473	2.5
95.01363	1.0
95.05069	1.9
101.02451	2.7
108.02121	0.7
109.02988	5.0
111.68355	0.8
113.02419	1.8
119.03529	1.9
121.02985	7.9
122.03755	6.1
123.04538	1.4
132.02220	1.0
133.02968	7.5
134.03746	3.2
135.04549	26.1
136.01653	3.8
136.04872	1.5
137.02429	1.6
139.00404	0.8
146.03731	6.9
147.04579	2.0
149.02460	60.9
150.03250	43.4
151.04070	4.9
153.57709	0.7
160.01709	1.4
161.02467	6.4
161.06119	2.0
163.03992	1.2
164.04817	17.6
165.05588	50.6
166.05894	1.7
167.82912	0.9
175.03963	2.1
176.04764	1.4
177.01924	5.9
178.02711	1.8
179.03517	24.5
179.07138	10.8
180.04263	4.0
187.04129	1.1
189.05487	1.3
190.06400	1.8
191.07173	1.5
193.05080	2.9
195.06648	42.2
196.07016	1.1
205.76924	0.8
225.07452	0.9
226.33606	0.8
264.07965	1.0
267.06613	1.7
268.07355	1.3
269.08221	1.3
279.06699	3.3
281.08041	1.1
282.08939	2.6
283.09732	2.8
294.09021	2.6
297.07776	2.4
297.11359	3.7
309.07733	1.1
311.08640	0.8
312.10065	30.2
313.10504	2.2
324.10043	1.2
327.12418	100.0
328.12778	7.9
339.12265	7.2
340.07877	1.6
341.08810	3.9
343.11691	0.9
345.13498	3.2
353.99692	0.9
357.09494	1.4
357.13425	4.9
357.19165	0.9
371.11090	1.0
375.10651	0.9
375.14749	6.5
375.19138	0.9
447.14163	3.7
537.17511	1.7
537.25549	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	537.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67430	0.5
55.01861	0.8
58.22187	0.6
59.01387	7.8
60.64126	0.5
62.70776	0.6
70.99710	0.7
71.01385	5.9
71.27028	0.6
72.99309	0.7
73.02946	1.3
75.00874	1.0
85.02968	1.4
87.00873	1.3
87.73055	0.5
88.98849	0.7
89.02464	4.3
93.03461	0.8
96.96036	1.4
101.02459	2.7
108.02181	1.7
109.02975	13.5
113.02453	2.5
115.03996	0.8
119.03512	1.1
121.02975	3.3
122.03786	4.0
123.00890	0.8
123.04532	1.9
133.02991	0.7
134.03792	1.3
135.04553	3.3
136.01685	8.4
137.02452	1.0
143.05051	0.9
145.02971	1.6
146.03767	5.7
147.04526	1.8
149.02478	7.9
150.03249	22.3
151.04048	8.0
159.04498	1.2
161.02437	1.0
161.04637	1.2
161.06079	3.2
164.04797	2.5
165.01955	0.7
165.05591	26.0
166.05975	1.1
171.04445	1.2
172.05334	2.2
173.06126	1.0
174.03214	0.9
175.04015	7.1
176.04788	8.7
178.02794	0.8
179.03491	2.5
179.05769	1.2
179.07153	5.0
180.04314	3.2
188.04855	1.1
189.05624	4.8
190.06367	4.8
191.05624	1.2
191.07159	11.8
192.07408	1.1
193.05087	2.4
195.06651	21.3
223.07600	1.2
225.07726	0.7
237.05569	0.8
239.07214	1.0
250.06480	0.6
251.07169	3.7
261.05740	1.4
262.06265	0.8
263.07153	0.7
266.05832	2.3
267.06668	7.5
268.07214	0.9
278.05859	2.0
278.09222	0.7
279.06659	10.3
280.07349	1.2
281.08231	1.8
282.09000	6.3
293.08264	1.7
294.09039	7.1
296.10519	1.2
297.07767	3.4
297.11374	13.8
298.11609	1.1
309.11349	2.1
312.10080	18.1
313.10260	1.8
315.12302	1.9
318.46729	0.6
327.12411	100.0
328.12723	9.2
345.13470	9.7
346.13937	1.1
357.13498	15.5
357.18124	1.0
357.19623	0.7
358.13608	1.4
366.91736	0.7
375.14493	9.7
376.14417	0.8
419.19098	0.8
447.14133	1.3
459.56998	0.7
537.18610	1.2
537.25281	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54212	1.3
59.01389	29.7
59.90105	1.3
62.47104	1.1
63.75615	1.2
64.36286	1.4
71.01392	19.8
72.99300	1.9
73.02960	3.7
83.01422	2.5
85.02972	5.8
87.00891	6.2
89.02460	20.2
93.03471	1.3
99.00874	1.7
101.02454	14.8
109.02958	24.0
111.00873	1.5
113.02470	6.4
119.03535	8.4
121.02991	3.8
122.03743	3.4
125.02501	2.4
131.03516	2.7
131.07120	3.0
133.03001	1.9
135.02998	2.2
135.04564	3.3
136.01669	13.0
143.03508	3.2
145.02956	2.4
146.03789	4.0
149.02467	18.3
150.03249	19.4
151.04034	13.8
159.03008	1.4
159.04443	1.9
161.04578	6.0
161.06053	3.3
164.04825	6.5
165.05586	22.4
172.05385	2.1
174.48213	1.6
175.04013	4.0
176.04825	3.5
179.03575	3.7
179.05646	6.7
179.07106	3.3
180.04395	1.7
189.05598	4.3
190.06392	5.2
191.05615	2.2
191.07196	5.2
195.06668	8.4
229.29601	1.9
239.07120	2.7
250.06461	3.3
251.07159	1.9
267.06638	42.8
268.07056	3.5
279.06641	9.2
282.09006	39.5
283.09637	3.2
294.09140	4.1
297.08359	3.8
297.11356	100.0
298.11752	6.6
312.10016	14.5
313.10773	2.1
315.12405	2.8
327.12405	89.2
328.12872	5.9
345.13449	43.9
346.13934	2.3
357.13513	8.9
375.14529	35.8
376.15213	2.1
404.18268	1.7
419.19006	2.6
489.17752	3.5
537.19464	5.5
537.26440	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	537.1985
Annotation	Tanegoside
Peak:m/z	Relative Intensity
51.98352	0.8
59.01381	4.3
64.21829	0.8
67.01887	1.0
71.01377	1.7
83.01373	1.2
85.01793	0.9
89.02462	2.5
93.03482	1.0
98.21745	2.6
105.03508	1.6
107.05138	1.1
117.07137	1.0
119.05051	1.1
121.06653	0.9
133.02979	8.4
133.06691	1.9
134.03790	6.7
135.04541	24.0
136.01682	1.0
136.04875	1.7
137.02464	3.3
138.03302	0.9
143.05042	2.6
143.95496	0.8
145.02986	1.1
145.06621	2.9
146.03751	9.2
147.04573	2.0
148.05325	3.2
149.02437	1.5
149.06105	3.7
150.03236	4.3
151.04033	1.6
153.05583	1.3
155.05101	1.8
158.03758	2.3
159.04503	1.5
160.05339	7.3
161.02568	1.0
161.06085	30.9
162.03247	2.4
162.06508	1.1
163.04070	3.9
163.07664	37.7
164.04700	0.9
164.08011	1.4
165.02026	2.5
165.05568	3.5
171.04523	1.2
172.05322	7.2
173.06090	52.1
174.03250	1.8
174.06485	2.5
175.04066	1.6
177.01968	7.1
177.05647	2.4
178.02681	3.9
178.06412	2.5
179.03520	19.2
179.07211	2.7
180.04306	4.2
189.05597	3.5
190.02806	1.5
190.06355	15.3
191.07150	49.8
192.07521	2.0
193.05055	9.7
195.06660	4.5
203.07205	1.3
205.05101	2.0
207.06625	4.6
210.05452	1.3
225.07716	2.2
229.25955	1.3
233.04651	1.5
279.06659	1.0
280.07568	1.0
281.08203	0.9
282.82492	0.8
291.06927	1.3
293.08093	2.3
295.09851	1.0
297.07788	2.5
308.10773	1.1
309.07755	4.6
312.10019	5.2
315.12430	6.2
324.10211	2.2
327.08765	1.1
327.12372	13.6
328.12656	1.4
336.15967	0.8
339.12534	2.7
341.08832	3.3
345.13458	25.7
346.13864	2.1
346.53363	0.8
357.09775	3.3
357.13501	27.2
358.13956	1.8
371.11401	1.4
375.14532	100.0
376.14853	8.8
507.19037	0.9
537.19891	41.9
538.20367	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	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59306	1.4
55.01869	1.5
55.41574	1.5
58.00589	4.2
59.01100	3.7
59.01389	73.3
60.75117	1.5
61.98855	2.2
62.46596	1.5
69.03480	2.1
71.01392	57.4
71.26553	2.6
72.01725	1.8
72.99309	5.3
73.02953	2.7
75.00873	2.0
83.01400	3.5
85.02946	11.5
87.00871	6.5
88.98782	1.9
89.02457	75.8
93.03436	1.7
95.01391	3.7
97.02959	2.8
101.02448	27.9
107.05130	2.0
108.02180	4.6
109.02962	10.7
113.02464	25.2
119.03524	31.1
121.02969	4.0
122.03749	4.1
123.04554	4.6
125.02475	22.4
129.01918	1.4
131.03537	2.4
133.02986	14.6
134.03732	7.5
135.04550	50.1
136.01695	8.5
137.02446	4.4
143.03511	2.1
145.03064	2.2
146.03755	11.3
147.04488	3.7
149.02414	6.2
149.04593	2.9
149.06076	3.8
150.03250	15.8
151.04045	11.8
159.04459	2.7
161.02444	3.3
161.04599	3.9
161.06079	1.6
162.03244	11.8
163.03973	6.4
164.04878	8.0
165.05588	15.6
172.05318	3.7
173.06010	4.0
175.03983	1.9
176.04903	2.1
177.01938	10.2
177.05562	11.1
178.02721	4.0
179.03525	41.0
179.05602	8.6
179.07172	11.8
180.04213	6.3
181.05051	2.5
187.04022	6.7
188.04851	3.5
191.07210	3.6
193.05122	8.0
195.06651	15.9
202.06348	6.4
203.07159	3.6
233.04437	4.0
263.43552	1.7
279.06628	3.5
280.07333	2.3
295.09711	3.2
308.10834	2.1
309.07584	5.2
323.09259	6.1
324.10046	14.4
327.12372	2.9
339.12408	100.0
340.12717	7.3
341.08969	4.6
345.13315	4.3
357.09280	7.7
375.10822	13.9
375.14801	3.3
537.18561	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	537.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78323	1.2
59.01368	2.9
61.98840	1.2
70.60488	3.8
71.01387	3.1
72.99393	1.2
75.00874	4.1
85.02960	1.6
88.98291	1.2
88.98820	1.6
89.02465	1.7
95.58492	1.4
99.00896	1.8
100.52265	1.4
103.05521	1.6
108.02250	2.2
113.02463	3.9
121.02943	2.8
132.35825	1.2
135.04550	5.1
136.01616	1.4
137.02466	1.6
145.03017	1.8
146.03748	4.4
147.04532	7.4
149.02441	2.0
150.03246	3.6
158.03764	4.6
159.04541	11.7
160.05318	23.5
161.06104	12.4
163.04044	7.2
164.04785	9.3
173.06131	4.8
175.07661	14.6
177.05527	8.7
178.06381	2.9
179.03378	1.5
199.49275	1.1
225.05620	2.1
226.06468	2.2
237.05559	2.5
238.06377	4.6
239.07175	5.5
251.07257	1.5
253.05106	1.8
254.05942	4.4
255.06639	5.2
265.08749	2.6
266.05896	11.3
267.06650	18.0
268.07291	2.6
269.08231	16.7
270.08960	3.4
281.08224	26.7
282.08945	4.8
283.09851	1.6
284.10617	2.2
287.22366	11.3
296.10632	3.2
298.04584	1.4
302.08096	2.7
314.07944	4.2
316.09604	2.2
328.09622	1.5
371.14758	1.6
429.13583	4.8
432.15717	2.2
443.15146	1.6
444.15887	5.4
447.18674	2.8
452.40750	1.3
459.18805	6.5
461.19202	2.8
474.17068	5.4
477.19287	72.7
478.19601	6.3
489.19284	100.0
490.19696	13.6
505.18286	1.7
507.20306	8.9
519.20001	4.1
519.27588	1.3
537.28870	9.4
564.45709	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	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
57.57107	0.8
59.01384	19.8
61.98819	1.2
67.56303	0.8
69.09711	4.7
69.10126	3.2
71.01391	12.4
72.98926	0.6
72.99305	3.7
73.02966	5.2
73.91089	0.8
75.00880	36.5
83.01414	3.5
85.02953	5.7
85.82043	0.8
87.00895	2.4
87.64725	0.8
88.98837	1.2
89.02438	8.6
89.54770	0.7
92.93095	0.7
95.01427	1.7
99.00910	4.4
101.02457	5.3
109.38374	0.7
111.00898	1.3
113.02463	7.3
115.00375	0.8
117.01955	2.8
119.03467	1.0
125.02422	0.9
135.03012	100.0
136.03290	0.9
161.04613	1.9
164.36745	0.7
169.12923	0.8
201.41203	0.8
249.06192	3.4
267.07135	0.9
285.04083	1.4
287.22308	19.3
444.63245	0.9
469.77704	0.8
494.20746	0.9
537.28394	17.7
538.29309	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	537.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.9
57.03473	1.0
59.01385	100.0
60.99315	0.9
61.98816	0.8
63.96244	1.9
69.21242	1.7
69.21644	3.0
71.01389	7.9
72.99316	2.2
73.02959	7.3
75.00882	7.9
83.01402	1.8
85.02978	1.0
87.00905	1.9
88.98809	5.1
89.02448	4.1
95.05061	0.8
97.06627	1.1
99.00887	5.4
99.04572	2.2
101.02481	2.1
113.02499	2.1
117.01994	2.5
117.97327	11.4
121.03029	0.7
135.03020	15.9
148.55542	0.7
159.42474	0.7
161.04636	0.9
165.12895	1.3
189.12929	2.9
191.05670	0.7
207.13910	8.5
209.11827	5.5
225.05431	1.1
225.14995	10.7
225.17056	0.9
226.15433	0.8
227.12914	32.8
228.13393	1.9
251.13004	2.4
253.04688	1.4
253.35527	0.7
269.13956	12.3
270.14267	0.8
283.15564	7.3
285.04303	2.6
287.15045	24.4
287.18073	1.4
288.15506	1.8
298.03680	4.3
301.16586	25.8
302.17151	1.5
329.16159	1.2
341.16397	0.8
343.17816	1.0
348.59348	0.7
369.15887	2.1
387.16699	8.1
401.18408	3.7
405.17889	1.9
419.19260	30.1
420.19894	2.8
447.09418	1.2
537.21869	20.2
537.32324	1.4
538.22516	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	537.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12869	5.3
59.01382	27.8
61.98835	14.8
66.43288	5.2
69.03454	6.1
69.08074	55.6
70.27940	5.3
71.01401	34.3
75.00875	27.0
85.02938	18.9
87.00901	7.6
89.02472	11.5
95.01376	9.9
98.21796	10.3
99.00897	18.0
113.02469	24.0
126.10935	5.7
181.05058	8.8
200.39520	6.4
249.06142	17.5
266.38489	6.1
285.04114	12.2
287.22330	100.0
288.22464	6.8
537.28607	81.2
538.30023	8.1
563.02533	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12869	5.3
59.01382	27.8
61.98835	14.8
66.43288	5.2
69.03454	6.1
69.08074	55.6
70.27940	5.3
71.01401	34.3
75.00875	27.0
85.02938	18.9
87.00901	7.6
89.02472	11.5
95.01376	9.9
98.21796	10.3
99.00897	18.0
113.02469	24.0
126.10935	5.7
181.05058	8.8
200.39520	6.4
249.06142	17.5
266.38489	6.1
285.04114	12.2
287.22330	100.0
288.22464	6.8
537.28607	81.2
538.30023	8.1
563.02533	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	3.4
67.06181	0.7
69.75620	3.4
69.77303	0.7
73.33462	0.7
77.89649	0.6
78.15031	0.6
78.95916	18.9
79.25863	0.6
85.38392	0.7
93.79144	0.5
96.96041	2.2
98.22482	0.9
122.98549	0.7
152.99637	3.3
168.04300	3.5
202.88544	0.7
224.06931	8.2
230.60556	0.6
242.08060	1.3
255.23325	100.0
256.23639	6.8
344.08789	0.7
346.10599	0.7
409.23691	0.8
452.27930	1.9
480.31018	61.2
481.31277	5.9
488.92847	0.7
501.59283	0.7
528.32251	0.7
537.32593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58212	3.0
65.00332	80.9
65.64349	3.0
70.23092	3.0
70.78419	6.3
82.00595	3.5
85.02975	4.4
86.60254	3.3
89.03677	2.8
91.59752	3.0
97.02969	21.9
112.21352	3.1
115.83031	3.1
125.99605	100.0
135.00067	3.4
135.04559	15.2
141.01947	49.7
145.78082	3.6
159.33406	3.7
179.03528	24.3
185.00932	89.8
191.05603	47.7
303.87222	3.8
353.08902	25.3
503.16467	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	539.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	1.4
59.01093	2.2
59.01386	35.8
71.01392	30.8
73.02937	1.4
75.00725	1.2
81.18454	1.2
83.01398	3.1
85.02964	7.7
85.29510	1.4
87.00880	2.0
89.02459	38.5
96.59284	1.3
96.97036	1.2
98.22539	2.9
101.02452	21.2
113.02469	22.4
119.03495	11.9
123.78395	1.2
131.03535	3.2
143.03506	5.6
149.04594	1.6
157.39682	1.5
161.04565	7.4
179.05646	23.5
202.76015	1.2
233.06654	1.7
323.09839	23.2
341.10992	2.2
359.07523	3.8
503.16251	100.0
504.16537	7.5
539.13898	24.0
540.14429	2.0
552.13959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.8
61.98832	5.0
71.01389	14.1
71.25601	3.4
71.90388	3.0
78.95904	5.9
89.02464	12.3
95.25225	3.3
101.02473	6.7
111.31304	3.3
113.02451	4.3
132.05817	3.6
139.00420	4.8
140.01173	65.6
141.01488	3.5
151.92860	3.5
155.03526	100.0
155.50526	4.2
169.26263	3.7
174.52995	3.6
197.04581	10.9
317.04971	7.1
317.08786	57.1
323.09839	4.7
479.09995	4.3
503.16205	29.9
539.14178	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	539.1772
Annotation	8-Feruloylharpagide
Peak:m/z	Relative Intensity
57.95826	1.6
59.01369	3.1
61.98825	2.1
67.01892	2.2
68.14798	1.5
68.99812	1.9
71.01392	2.7
71.26764	1.7
71.27137	2.7
83.01392	3.9
87.00895	3.6
101.02448	2.1
101.88451	1.4
109.02955	3.0
111.00896	7.2
113.35783	1.4
123.00897	12.5
124.01668	2.0
125.02444	2.2
125.99593	1.5
127.00381	4.3
135.04532	2.1
136.98837	4.6
137.02463	5.6
138.03259	19.9
139.00401	48.2
139.04013	4.2
149.69588	1.4
150.03258	3.9
151.00404	2.9
151.04033	22.7
153.01945	14.5
153.05605	14.2
154.02745	4.4
159.23422	1.5
163.04091	1.9
164.01181	1.8
165.05603	2.3
177.01974	15.1
178.02715	4.3
179.03516	2.9
179.07076	1.5
180.04115	1.7
181.05067	13.6
192.04315	5.2
192.49300	1.6
193.05081	5.4
251.09283	5.4
258.01718	2.0
259.02493	2.3
273.04105	1.6
285.03851	1.6
289.07156	1.9
299.09201	3.5
301.03497	5.7
311.09167	3.4
316.05899	5.7
317.06738	14.3
331.08240	12.4
332.09061	26.5
333.09296	2.1
343.10526	2.7
346.10468	9.3
347.11389	82.5
348.11737	6.2
359.11334	2.9
377.12424	100.0
378.12805	8.6
438.14139	2.6
509.16492	7.0
539.17609	7.9
539.26306	2.8
540.18042	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1775
Annotation	Oleuropein
Peak:m/z	Relative Intensity
59.01378	4.6
68.94530	4.7
68.94948	10.4
68.99839	1.4
71.01386	2.9
72.97530	5.2
83.01406	3.6
84.02255	1.3
85.03017	1.4
85.14054	1.3
89.02451	1.5
95.01447	2.5
98.22560	2.6
99.00828	1.3
101.02444	1.9
109.02975	1.8
111.00930	7.5
112.98849	3.8
113.02419	1.5
120.03545	1.2
121.02966	1.7
123.00890	15.3
123.04571	2.2
124.01689	4.2
125.02470	1.5
125.99630	1.8
127.00382	7.6
135.04532	3.7
136.04955	1.3
136.73439	1.5
136.98814	4.6
137.02443	4.2
137.99576	3.1
138.03246	19.5
139.00403	51.0
139.04005	3.9
149.02480	4.7
150.03236	6.3
151.00436	4.3
151.04063	9.1
153.01967	12.7
153.05603	12.6
154.02692	2.0
161.02432	1.9
163.00394	3.0
164.04883	1.7
165.05563	4.0
177.01917	11.4
178.02675	3.6
179.03485	3.9
179.07219	1.7
181.05135	1.8
190.74432	1.2
192.04327	4.0
193.05104	5.7
195.06706	3.2
209.08121	1.3
258.01691	2.5
259.02570	2.1
273.03976	2.1
285.03976	1.5
289.07339	1.5
301.03586	5.0
301.07065	2.5
302.04245	1.7
316.06000	5.1
317.06720	16.3
327.12509	3.1
328.12762	2.4
329.13010	5.1
331.08255	13.3
332.09000	24.9
333.09433	2.1
346.10626	6.3
347.11377	87.7
348.11734	3.8
377.12445	100.0
378.12628	7.8
509.16992	6.5
539.17712	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	539.1777
Annotation	Isooleuropein
Peak:m/z	Relative Intensity
53.47172	0.7
59.01377	1.0
65.44484	0.7
67.01907	1.5
68.43808	0.7
69.03661	8.3
69.03996	1.3
69.61582	0.8
72.97523	2.3
83.01380	2.7
91.96760	0.8
95.01408	2.2
97.02962	1.3
109.02981	1.1
111.00863	6.6
112.98809	1.5
119.89223	0.8
123.00900	13.6
124.01687	2.1
125.02418	1.3
125.99594	1.3
127.00382	6.1
134.97533	1.0
135.04543	2.7
136.98833	4.5
137.02431	4.9
137.99643	1.9
138.03239	19.9
139.00394	44.1
139.04047	3.8
141.01990	1.4
150.03206	1.9
151.00377	3.3
151.04039	8.9
153.01956	12.6
153.05585	11.9
154.02766	2.9
163.00403	1.8
163.04053	0.8
165.01953	1.1
165.05644	1.3
167.84845	0.9
172.91910	0.9
177.01952	12.3
178.02638	3.5
179.03464	1.1
181.05051	1.9
192.04298	4.7
193.05096	5.0
195.06683	1.4
217.64983	0.8
233.83369	1.0
242.93834	0.8
245.04584	1.1
258.01642	2.2
258.38953	0.8
270.40659	0.9
273.04132	1.9
274.04718	1.1
289.07172	1.4
297.00201	0.9
301.03613	5.3
301.06677	0.9
316.05811	6.5
317.06683	13.4
331.08221	13.0
332.09027	22.0
333.09308	1.8
346.10565	6.0
347.11389	76.1
348.11792	4.7
377.12421	100.0
378.12836	8.2
389.12485	1.0
410.20633	0.9
509.16660	8.6
510.16907	1.2
539.17358	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03445	1.9
58.00591	1.3
59.01098	1.3
59.01388	22.2
69.67947	1.9
69.68356	2.3
71.01389	19.3
72.99306	1.7
73.02954	6.2
83.01393	5.1
85.02959	11.3
85.38020	0.7
86.00114	0.9
87.00871	4.1
88.98830	1.3
89.02449	6.2
93.03475	1.8
95.01395	1.9
97.02976	0.8
99.00894	2.7
101.02460	16.4
111.00921	1.2
113.02480	6.6
119.03512	2.9
121.02974	4.4
122.03769	5.2
125.02413	0.8
132.02208	0.8
133.02960	6.4
134.03716	1.7
147.04520	1.7
149.02460	31.3
149.06093	2.1
150.03244	35.4
151.03653	2.2
161.04558	1.5
163.03848	0.8
164.04797	6.1
165.05585	31.6
166.06424	4.2
167.07175	1.3
179.05630	1.9
180.04333	1.3
181.08734	5.5
195.06610	10.4
225.05258	1.0
225.18758	0.7
253.04666	1.1
270.08987	1.0
307.92429	0.8
314.11676	6.3
315.12256	2.2
329.14038	13.9
330.14291	1.2
343.13959	11.0
344.14340	1.0
349.03088	0.7
359.20895	1.5
377.21765	1.2
476.17676	0.9
491.19293	100.0
492.19592	9.8
539.20917	11.8
540.21942	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2293
Annotation	Sesquipinsapol B
Peak:m/z	Relative Intensity
50.51978	1.7
55.03737	1.8
59.01379	6.4
61.98837	3.3
66.02186	1.8
71.01395	2.7
85.02974	5.3
90.27157	2.1
93.03445	2.1
98.21754	5.7
101.02481	2.0
109.02964	3.5
113.02480	3.6
121.02980	12.3
122.03790	2.4
123.04494	2.9
135.04549	3.7
147.04576	10.1
161.06105	3.3
164.62439	2.0
165.05579	15.4
179.07123	3.5
225.05646	2.1
226.06128	1.9
233.15550	2.4
238.06349	3.6
239.07137	3.9
253.05165	3.5
254.05852	6.1
255.06662	5.0
266.05862	5.9
267.06592	7.3
268.07422	4.7
269.08255	5.2
280.07266	2.1
281.08276	5.8
282.09048	5.3
285.03931	2.2
286.04819	2.8
288.22784	2.2
294.09030	4.3
295.09836	13.7
297.11310	2.9
309.11301	4.9
311.09286	2.6
313.10947	2.9
314.07962	7.2
325.11038	2.5
339.12708	5.0
403.17715	3.2
445.16794	2.6
449.16245	15.6
463.17715	3.0
475.17816	2.8
479.17383	7.6
491.17160	10.8
494.19528	10.0
506.19379	11.5
509.21896	86.5
510.22214	10.2
521.21838	100.0
522.22308	14.2
539.29736	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	540.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09419	11.7
59.01394	64.0
59.31903	11.4
60.16980	11.1
61.98828	38.6
69.01156	100.0
69.01562	20.2
71.01353	19.6
73.02966	11.4
74.98926	11.5
89.11756	10.5
89.40205	10.7
98.22517	25.9
101.02455	13.9
102.06979	10.2
113.87985	11.0
161.71248	10.1
303.94501	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	540.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10253	0.6
59.01387	3.0
61.98838	5.7
68.68511	0.6
71.01402	3.3
71.24991	1.1
72.00919	13.8
77.82478	0.6
78.95908	1.2
83.01386	1.0
85.02953	1.5
87.00876	1.7
89.02451	2.0
91.05521	1.2
99.00930	0.7
101.02466	1.7
103.05544	1.1
106.13840	0.6
109.02933	1.2
113.02457	2.7
119.05010	1.0
131.03471	1.0
135.04489	0.8
145.01469	1.0
145.02980	0.8
147.04538	42.3
148.04848	1.1
149.02454	10.3
150.03236	19.0
153.01979	3.6
161.02498	1.1
161.04570	2.6
162.03210	1.0
163.04025	1.1
164.04839	7.1
164.07179	100.0
165.05582	40.5
165.07532	3.3
177.05583	0.7
180.04285	2.1
195.02992	0.9
195.06641	16.6
274.14920	0.6
315.07272	2.9
327.10886	12.7
357.12039	0.7
375.06665	0.8
477.12213	1.3
540.15820	2.8
541.16229	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	541.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03442	3.5
58.00605	4.7
58.51322	0.8
59.01384	97.6
60.01701	1.1
71.01390	89.8
71.26871	1.7
72.99321	4.7
73.02951	14.1
75.00845	1.4
81.03444	1.2
83.01387	8.7
85.02959	20.6
86.00115	1.9
87.00881	14.7
89.02455	100.0
93.03463	1.3
95.01385	4.7
96.96039	3.1
97.02962	4.5
99.00881	4.0
101.02454	68.4
109.02947	1.2
111.00892	2.4
111.32719	1.1
112.98814	1.3
113.02464	29.8
119.03519	18.5
119.04913	1.0
121.02976	2.3
122.03671	1.7
125.02467	10.7
129.01941	1.4
131.03516	45.4
132.03795	1.1
134.03719	3.6
135.04527	6.9
137.02449	1.1
143.03465	4.9
149.02457	6.0
149.04572	55.2
150.03262	13.4
155.10800	1.1
159.02994	1.7
161.04575	17.7
163.03987	1.6
164.04811	2.5
165.05595	12.7
167.03612	1.1
178.02792	1.1
179.05623	32.2
191.05626	27.5
193.05045	4.7
195.06621	6.5
199.09752	1.8
208.03899	2.0
221.06688	17.7
223.06113	3.3
247.11981	1.3
263.07730	3.7
272.16977	1.1
280.94913	1.0
293.68970	1.1
311.09863	1.2
331.11996	2.9
333.06906	1.2
379.16104	53.9
380.16522	2.6
409.17163	4.4
493.17203	6.5
541.21381	64.0
541.28204	3.5
542.21448	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	541.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.1
57.03452	4.2
58.00596	3.8
59.01385	97.2
60.01725	1.1
60.99329	0.7
69.03462	1.3
69.83568	3.6
71.01390	100.0
72.99318	5.6
73.02959	18.5
75.00887	1.7
81.03474	1.1
83.01392	10.5
83.05047	0.9
85.02959	25.9
86.00111	3.3
87.00880	15.3
88.98829	2.5
89.02454	98.5
90.02815	1.1
90.15298	0.7
95.01390	3.7
96.96000	1.1
97.02948	4.0
99.00854	4.2
101.02454	74.7
102.02827	1.8
104.12675	0.7
104.79578	0.6
111.00900	2.5
113.02458	29.3
113.38384	0.8
119.03510	25.4
121.03031	0.9
125.02458	8.9
129.01981	1.7
131.03516	53.5
131.07121	0.9
132.03793	1.0
134.03859	1.6
135.04504	1.4
139.00488	0.8
143.03546	6.7
149.02545	2.3
149.04570	57.0
150.04959	0.9
159.03000	2.2
161.04575	18.6
177.00644	1.0
178.02788	0.7
179.05626	36.8
180.05983	1.0
191.05624	28.7
192.05910	1.1
193.05087	2.6
198.32755	0.8
210.38791	0.8
221.06674	25.3
223.06088	1.2
233.06778	1.0
247.11819	1.5
251.07748	1.6
263.07587	4.1
306.83621	0.8
353.10901	1.7
361.22513	0.9
379.16129	56.5
380.16483	4.6
409.17303	4.5
541.21417	59.2
541.28137	3.1
542.21753	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92353	2.5
55.01883	2.9
56.84034	2.7
57.03447	11.0
58.00578	2.7
59.01388	100.0
61.61525	2.8
61.98813	4.9
68.98150	5.2
68.98550	25.3
71.01390	69.1
71.72295	2.7
73.02955	23.8
75.00890	5.4
83.01386	7.8
83.54023	2.5
84.02202	3.3
84.95119	3.7
85.02967	72.6
87.00913	4.7
89.02455	50.9
92.23012	2.7
95.01404	5.0
97.02967	4.3
99.00918	5.9
101.02466	39.4
113.02467	58.9
119.03498	12.0
125.02426	4.4
129.01886	3.0
131.03520	46.5
137.66756	2.6
141.01729	30.2
143.03520	8.5
145.05086	9.7
149.04546	6.9
161.04552	14.3
170.67688	2.6
179.05685	19.2
221.06682	10.3
221.85687	2.5
244.65898	3.1
263.07767	17.4
289.01938	2.9
323.09946	7.0
347.09979	7.7
399.23914	5.3
409.13583	21.1
417.24820	7.4
469.15570	6.6
481.22968	6.6
541.17786	8.4
541.25555	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	541.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92353	2.5
55.01883	2.9
56.84034	2.7
57.03447	11.0
58.00578	2.7
59.01388	100.0
61.61525	2.8
61.98813	4.9
68.98150	5.2
68.98550	25.3
71.01390	69.1
71.72295	2.7
73.02955	23.8
75.00890	5.4
83.01386	7.8
83.54023	2.5
84.02202	3.3
84.95119	3.7
85.02967	72.6
87.00913	4.7
89.02455	50.9
92.23012	2.7
95.01404	5.0
97.02967	4.3
99.00918	5.9
101.02466	39.4
113.02467	58.9
119.03498	12.0
125.02426	4.4
129.01886	3.0
131.03520	46.5
137.66756	2.6
141.01729	30.2
143.03520	8.5
145.05086	9.7
149.04546	6.9
161.04552	14.3
170.67688	2.6
179.05685	19.2
221.06682	10.3
221.85687	2.5
244.65898	3.1
263.07767	17.4
289.01938	2.9
323.09946	7.0
347.09979	7.7
399.23914	5.3
409.13583	21.1
417.24820	7.4
469.15570	6.6
481.22968	6.6
541.17786	8.4
541.25555	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	541.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83257	3.8
55.01875	4.0
55.19212	3.1
57.03449	5.3
59.01391	93.8
71.01390	100.0
71.28220	3.6
72.99309	6.2
73.02942	20.7
83.01381	12.3
85.02971	37.5
87.00880	14.4
89.02457	72.7
95.01389	8.2
99.00891	8.1
99.04502	3.5
101.02459	63.5
105.72358	3.4
113.02467	58.7
117.07133	53.9
119.03525	31.9
119.08686	4.1
131.03517	25.7
143.03516	6.4
159.03008	4.5
161.04567	36.8
164.52812	4.1
179.05620	62.4
180.06067	3.8
187.11226	8.6
217.06664	12.4
217.12369	68.6
221.06677	68.3
259.13443	5.4
263.07770	23.3
409.13293	4.2
541.17395	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03448	5.2
58.00605	1.7
59.01385	100.0
60.01723	1.0
61.98849	3.9
69.03481	1.3
69.49889	4.4
69.85329	0.6
71.01389	52.8
71.11147	0.7
72.99332	2.5
73.02954	28.2
74.47440	0.7
75.00878	2.9
77.24683	0.6
78.06955	0.7
83.01400	9.4
83.05038	0.9
85.02962	34.6
87.00906	3.2
87.04533	1.9
89.02455	27.3
95.01420	2.5
97.02965	1.6
99.00906	5.2
99.04533	1.5
101.02452	33.6
111.00938	1.0
113.02463	43.7
114.02812	1.5
119.03532	7.6
119.05030	1.1
125.02508	2.0
127.04024	1.4
129.01976	1.0
131.03514	22.3
135.47430	0.7
141.01772	2.5
143.03505	6.3
145.02998	1.1
145.05113	4.0
149.04541	5.7
149.09761	0.8
155.03557	1.0
161.04594	6.6
162.80469	0.7
163.04062	1.5
173.04707	1.0
179.05582	4.8
186.60495	0.8
217.12427	0.8
221.06752	1.9
251.10562	1.0
260.40460	0.8
263.07776	4.4
270.92340	0.7
277.09344	0.9
280.19641	0.8
281.08917	1.1
285.03998	1.2
289.10782	0.8
301.21765	0.7
319.22815	1.9
323.10049	2.3
337.11337	1.0
347.09964	2.8
365.11017	1.4
367.12549	1.1
374.05795	0.8
409.13596	8.3
410.14096	1.1
469.15289	3.4
481.28387	2.9
499.29504	1.1
541.17664	4.0
541.30670	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	541.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12539	0.4
59.01375	1.8
60.99318	15.3
71.01379	0.5
87.00892	0.8
87.84155	0.4
88.00408	0.6
88.98819	100.0
89.02455	5.4
89.99176	1.1
96.96015	0.7
98.21819	0.9
101.02470	0.6
107.23135	0.4
115.22499	0.4
170.82162	0.5
513.30103	0.5
541.29016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01380	2.7
61.56290	0.6
61.98827	0.8
66.19199	0.7
67.01892	1.0
68.95135	4.2
68.95555	3.1
68.99814	2.4
71.01375	2.7
73.02945	1.4
75.00867	1.0
81.66579	0.7
83.01409	5.4
85.02959	5.5
87.00872	2.0
89.02451	1.3
91.05542	1.0
93.03461	1.3
95.01377	2.0
99.00892	3.9
99.92555	0.6
101.02459	1.9
111.00901	2.7
113.02464	5.7
113.99604	9.3
114.95535	0.7
115.00425	3.8
116.92863	1.0
117.03467	1.2
119.05006	1.3
121.02979	12.3
127.00358	2.2
129.01964	2.0
132.02165	1.2
135.04549	1.0
139.00397	2.2
141.90511	0.6
142.75813	0.6
147.04524	5.9
149.02460	78.2
150.02766	3.5
152.43607	0.7
157.01482	4.6
163.04004	1.8
164.04813	64.2
165.05238	2.4
169.01392	0.8
174.01671	4.8
175.02380	0.8
175.17937	0.7
179.03548	1.7
179.07144	3.7
191.03471	1.2
191.05600	0.9
208.03746	1.0
221.08374	0.7
223.06142	69.8
223.24887	0.7
224.06427	3.0
230.66672	0.8
265.07245	1.6
277.05673	11.9
301.05798	0.8
315.12393	1.4
319.06635	2.0
329.59818	0.8
337.07800	100.0
338.08176	5.2
347.11667	1.0
375.09998	0.8
380.07220	0.7
543.13586	39.8
544.14362	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	543.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.8
57.03447	3.6
58.00599	1.1
59.01388	55.8
61.98826	2.1
65.10627	0.9
69.03442	1.3
71.01392	59.0
71.27023	1.0
72.99310	3.8
73.02958	16.3
75.00859	1.0
83.01395	12.0
85.02959	23.3
87.00900	5.5
89.02461	35.6
93.03414	1.0
95.01411	2.6
96.96026	1.2
97.02980	3.2
99.00890	4.4
99.04539	1.5
101.02462	50.5
111.00898	2.5
113.02460	20.5
113.03181	1.6
119.03513	5.9
125.02470	11.6
129.01973	1.1
131.03514	12.7
143.03519	2.1
149.04590	6.0
159.03020	2.0
161.04601	11.3
179.05632	2.2
191.05585	2.3
195.06696	2.2
221.04803	0.9
221.06699	4.4
233.06691	1.8
249.13457	31.3
250.13829	1.2
275.07831	1.1
378.29340	1.1
381.17697	100.0
382.18033	6.2
387.16846	1.4
411.18759	10.1
438.28909	1.0
454.53299	0.9
514.00641	1.0
543.23041	77.5
544.23535	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	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82203	0.2
55.01883	0.6
57.03454	0.5
58.00599	0.9
58.66680	0.2
59.01384	100.0
60.01718	1.0
60.66191	0.2
68.96920	2.8
69.03471	0.5
71.01391	24.8
72.99322	1.0
73.02954	17.5
74.03298	0.3
75.00923	0.3
81.03472	0.3
83.01400	5.5
85.02961	5.5
87.00908	1.0
87.04546	0.9
89.02454	19.7
90.02807	0.3
95.01398	1.8
96.56645	0.2
97.03015	0.4
99.00912	0.7
101.02454	20.6
113.02464	15.9
114.02848	0.4
119.03510	8.6
125.02471	0.7
131.03517	2.1
143.03496	2.3
149.04550	1.5
155.03719	0.2
161.04578	6.5
161.05875	0.4
173.33759	0.3
179.05638	6.9
221.06860	0.5
241.40480	0.2
324.27542	0.3
339.25235	0.4
483.29733	1.3
501.31238	1.1
544.85986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80889	0.3
50.99942	0.2
52.76941	0.2
55.01888	1.0
57.03458	1.1
58.00596	0.7
59.01387	100.0
60.01725	1.4
69.03471	0.4
71.01390	20.8
72.99335	1.0
73.02953	7.2
83.01400	2.5
85.02966	6.8
87.00906	1.2
87.04515	1.6
89.02461	14.4
95.01416	1.9
97.02949	0.3
98.21802	0.6
99.00928	0.9
99.04559	0.3
101.02456	11.4
102.02807	0.4
113.02468	17.1
119.03518	6.0
125.02475	0.7
131.03511	0.7
143.03535	1.9
149.04613	0.6
149.09816	1.0
155.10869	0.3
159.03053	0.3
161.04576	4.2
179.05646	3.2
313.43964	0.3
339.25516	0.7
353.19992	0.4
371.20908	1.5
374.24283	0.3
380.97937	0.3
389.22333	0.3
395.24762	0.4
413.25766	0.5
483.29745	8.9
484.29938	1.4
501.30807	6.0
502.31381	0.7
543.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03456	1.5
58.00595	0.8
59.01385	100.0
60.01725	0.9
63.30781	0.3
67.72381	0.2
69.03465	0.8
71.01389	30.2
71.28296	0.4
72.01756	0.5
72.99327	1.7
73.02953	8.8
75.00867	0.4
75.19044	0.2
83.01396	3.0
85.02956	10.5
87.00864	1.7
87.04546	1.0
89.02454	17.2
90.02771	0.3
95.01392	3.1
97.02988	1.0
97.06621	0.2
99.00898	2.1
101.02454	15.5
102.02867	0.3
111.00927	0.6
113.02463	24.1
114.02814	0.6
115.04004	0.2
119.03513	6.1
125.02496	1.2
131.03490	1.2
143.03500	2.6
144.76254	0.3
149.04616	0.6
149.09750	0.5
159.03085	0.6
161.04567	5.8
161.05862	0.3
162.04929	0.4
165.80818	0.2
179.05591	2.2
217.79625	0.3
370.12979	0.3
381.23068	0.7
424.28140	0.3
483.29678	4.1
501.30792	2.3
541.30811	0.3
543.28113	5.3
544.28174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3319
Annotation	Luvungin F
Peak:m/z	Relative Intensity
53.01231	7.3
54.30594	6.7
57.66603	7.8
59.01389	100.0
61.98830	26.0
64.73166	7.9
68.75870	7.2
70.83044	10.7
70.83376	13.9
71.01387	28.8
73.02955	9.0
77.04176	6.6
78.97141	8.5
85.02952	15.2
89.02450	21.7
90.25326	7.6
97.70972	7.5
101.02464	27.8
113.02448	24.9
203.79436	7.1
251.11093	15.5
378.10309	8.8
388.29147	7.9
425.83676	8.6
543.33160	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3333
Annotation	26-Hydroxyporicoic acid DM
Peak:m/z	Relative Intensity
59.01390	31.9
61.98812	1.6
68.19550	1.2
71.29970	3.1
83.05041	1.5
92.92676	1.5
96.96046	1.5
117.57726	1.4
137.09744	2.7
143.32480	1.3
219.13907	11.3
222.97229	1.5
295.19281	2.9
400.94122	1.4
439.32397	4.3
469.33160	1.7
481.33069	3.1
483.31354	3.6
499.34479	6.5
513.32294	100.0
514.32709	13.7
543.33380	79.4
544.33612	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	543.3331
Annotation	Luvungin F
Peak:m/z	Relative Intensity
59.01386	30.2
61.49460	1.0
69.66460	5.9
73.86205	1.1
77.52617	1.4
82.77318	1.1
98.21864	1.3
116.57868	1.1
155.96201	1.3
187.11305	5.1
189.12854	18.0
194.46701	1.2
205.15999	51.5
206.16370	1.7
231.13828	1.5
249.14984	8.6
255.23227	2.3
295.19196	1.9
345.08997	1.2
405.56219	1.2
453.85953	1.4
461.32831	3.9
483.26804	1.5
497.32971	1.6
499.34286	6.2
520.27155	1.3
543.33374	100.0
544.33948	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	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56715	0.2
56.71320	0.2
59.01376	0.7
71.01384	0.5
72.08344	0.2
73.02921	0.2
79.01823	0.2
79.95741	3.0
83.01381	0.2
89.02444	0.3
96.96023	100.0
97.95961	0.4
101.02475	0.5
133.03033	0.3
154.99919	0.5
163.50383	0.2
191.05617	0.6
256.03757	0.3
284.03323	2.8
285.04059	5.7
286.04282	0.4
335.59290	0.2
340.99957	0.3
353.06784	0.4
374.30035	0.2
383.00885	1.5
435.48718	0.2
447.09369	7.4
448.09772	0.6
545.06555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.2
70.79976	1.0
70.80312	1.5
71.01405	5.4
73.02951	2.2
79.95747	2.2
83.01389	1.1
85.02967	10.9
87.00897	2.7
89.02463	2.5
93.03462	4.9
96.73122	0.9
96.96027	79.3
98.21985	1.1
99.04528	1.0
101.02481	3.0
108.02202	1.9
109.02960	2.3
111.04547	1.1
113.02480	2.0
127.04055	2.2
136.01686	1.2
145.01492	1.4
145.02983	1.8
146.03798	6.3
147.04561	6.4
149.02470	1.0
150.03200	2.0
154.99907	2.2
158.03773	1.8
165.05550	1.4
173.04558	3.7
175.04063	1.0
175.66974	0.9
179.05673	1.2
185.02531	1.0
191.05640	72.1
192.06027	2.1
193.05040	2.1
195.06529	0.9
196.05026	0.9
209.06111	1.2
213.05640	0.9
229.01416	9.1
237.05595	2.2
248.04881	1.1
249.05540	5.0
252.04300	2.4
265.05048	12.2
266.05872	27.8
267.06552	6.2
267.09320	1.0
268.07495	2.5
276.04376	1.3
277.05075	2.1
281.08218	15.3
283.09796	4.9
284.03296	2.4
285.04172	4.3
293.04593	4.7
294.05328	9.5
308.06723	1.3
309.07779	10.1
310.08038	1.3
312.55475	1.0
325.06891	1.1
327.08661	2.3
338.04422	2.3
353.06689	100.0
354.06998	7.2
383.01025	2.2
394.65179	1.0
405.53888	0.9
447.09372	3.9
545.12897	1.8
545.30157	1.7
546.25446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27169	0.2
52.38255	0.2
57.03437	0.7
59.01379	2.6
60.99320	1.4
62.81631	0.2
65.03951	0.3
67.01899	5.7
67.93998	0.2
69.03471	1.6
70.78981	0.6
70.79303	0.3
71.01385	2.4
73.02956	0.4
80.58928	0.3
81.03463	1.2
83.05018	1.0
85.02962	6.7
86.63814	0.3
87.00887	7.7
93.03470	32.1
94.03800	0.9
96.96035	0.4
97.02946	0.4
99.00894	0.8
99.04514	0.8
101.02471	0.3
105.03484	1.3
109.02930	1.2
111.04532	4.0
113.02454	0.8
127.04031	1.4
129.01936	0.6
132.02194	0.8
133.02972	8.0
134.03772	2.1
135.04552	7.0
137.02455	1.1
139.04050	0.4
143.03532	0.3
150.03239	0.4
151.03998	0.7
155.03532	0.6
160.01701	2.5
161.02455	6.1
164.04732	0.4
171.03050	0.3
173.04567	10.9
174.04921	0.3
177.01892	2.2
178.02748	1.6
178.06425	0.4
179.03481	2.6
179.07138	0.4
191.05632	100.0
192.05988	2.6
193.08727	0.5
215.05649	1.7
320.18243	0.3
351.07147	3.7
352.07800	0.4
353.10312	6.9
354.10693	0.9
366.09494	0.8
367.10388	0.7
371.11459	0.9
517.61859	0.3
545.16760	3.0
546.16968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27742	1.0
59.01371	3.7
60.99299	4.5
67.01901	13.2
67.24183	1.0
69.03456	3.4
69.21255	1.1
70.57225	2.4
70.57545	1.1
71.01383	3.9
81.03480	3.1
83.05035	2.5
85.02961	7.1
87.00890	15.2
90.59975	1.0
93.03468	73.5
94.03781	1.5
99.00893	1.5
105.03453	1.7
109.02965	2.0
110.00239	1.2
111.04523	10.5
113.02434	1.5
127.03957	1.5
129.01974	2.1
133.02969	11.8
134.03731	3.7
135.04552	17.3
137.02469	2.0
151.04071	1.1
155.03519	2.3
160.01703	3.9
161.02504	7.1
163.03871	1.0
173.04562	37.5
174.04825	1.5
177.01929	3.6
178.02765	2.3
179.03531	6.3
191.05638	100.0
192.05940	2.2
215.05649	1.6
248.63835	1.0
253.42924	1.2
274.13647	1.0
303.83209	1.0
308.09247	2.3
351.07422	6.5
353.10315	6.3
366.09476	1.8
367.10336	2.9
545.16693	23.6
546.16913	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	545.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05263	1.4
55.01869	1.6
59.01390	21.9
60.99307	10.2
61.98837	1.8
70.90681	1.5
71.01389	11.6
72.99325	1.5
73.02935	4.4
75.00853	1.7
78.32740	1.4
83.01405	3.9
85.02962	3.8
86.95183	1.4
87.00854	1.9
88.98812	70.7
89.02444	7.0
93.03464	56.4
96.96024	5.5
99.00883	2.9
101.02473	7.8
105.01945	7.2
113.02461	4.8
115.00330	1.8
119.03485	3.1
121.02927	8.9
131.03516	2.7
133.25465	1.4
135.03030	1.7
137.02460	100.0
138.02762	2.8
145.01434	3.8
148.91144	1.8
151.00392	1.9
161.04565	1.4
171.10300	1.5
175.71658	1.5
179.05632	2.9
181.12283	2.6
212.28253	1.4
216.81256	1.6
221.08183	1.5
225.11369	2.1
445.16965	1.8
527.10077	2.3
545.18781	7.1
545.27661	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12152	1.9
52.18184	1.8
57.79413	1.8
59.01384	52.6
63.93810	2.1
69.02159	20.8
71.01393	3.5
75.12334	2.1
89.02432	2.7
96.96020	10.3
97.06663	2.8
98.22581	3.0
101.02437	2.9
112.57172	2.0
117.73206	2.4
249.18616	100.0
250.18915	5.9
253.09306	17.2
334.49957	2.3
545.34283	33.1
546.33875	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	545.3493
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.03446	1.7
57.64850	0.6
59.01387	100.0
59.26194	0.6
60.01725	1.1
71.05034	3.5
71.29744	1.3
78.95930	3.7
83.05035	1.3
96.96027	2.1
97.06609	1.7
99.04549	0.8
111.04530	2.7
111.08166	1.0
124.18221	0.7
125.06085	1.5
128.61176	0.6
139.11354	0.8
145.10275	2.2
149.36549	0.7
152.99649	1.7
161.11586	0.9
163.11295	4.7
177.09196	1.3
181.12418	1.2
183.13914	1.5
193.12369	1.9
205.16011	0.9
207.10318	7.5
207.13832	0.9
221.11720	0.8
225.11407	2.6
231.51372	0.8
235.13400	2.8
237.11385	2.2
243.17599	3.0
247.20715	4.4
251.12872	5.3
253.14381	4.6
261.18628	9.6
263.23831	9.3
267.12405	31.9
268.12759	1.7
275.20209	1.6
275.23792	0.8
277.14502	1.3
277.21713	0.7
291.19690	31.4
292.20264	1.4
295.15546	33.3
296.15906	1.9
297.13486	1.5
397.34842	2.9
415.36026	2.4
423.32538	1.5
424.44635	0.8
441.33948	4.7
457.36838	1.8
467.31854	1.7
483.35229	1.7
485.33038	4.5
501.36008	10.3
502.36105	1.0
517.59393	0.9
527.33765	1.9
536.63184	0.8
545.34937	74.9
546.35309	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	545.3491
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
54.03905	0.5
59.01387	28.2
61.98830	1.3
68.03065	0.4
69.04240	1.6
69.04660	2.8
72.99300	0.5
73.77542	0.5
78.95929	0.6
90.81937	0.5
96.96040	1.3
137.06100	1.1
139.11209	0.6
164.30188	0.5
221.09419	0.6
305.21271	5.1
359.26083	1.8
393.86517	0.5
411.29279	1.5
423.32751	2.1
441.33817	10.9
442.34299	1.6
465.33786	0.7
483.35013	4.5
485.32809	18.4
486.33212	2.3
487.34424	0.7
501.35791	3.5
502.35034	0.7
527.33673	2.0
545.34973	100.0
546.35291	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	546.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	65.0
60.99320	1.8
61.98838	100.0
69.09914	6.7
69.10339	4.3
71.01385	6.1
73.02952	2.1
83.01401	1.5
85.02927	2.4
88.98823	15.0
89.02467	1.8
98.22555	2.0
101.02450	5.5
113.02462	2.9
119.03548	1.3
145.18958	1.0
161.04535	3.6
268.03796	1.9
269.04596	5.9
272.61411	1.2
284.03256	16.2
285.04105	27.3
299.05759	6.0
342.70728	1.3
397.22342	3.9
439.23309	5.3
489.10437	12.2
529.13593	2.1
546.28125	5.5
547.14789	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	546.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.0
59.01385	72.5
63.02433	1.6
69.03448	1.8
71.01392	52.1
72.28712	1.6
72.99302	4.8
73.02959	9.1
75.00872	3.0
77.16594	1.6
77.79820	1.5
78.91374	1.5
83.01385	4.2
85.02962	12.3
87.00882	8.3
88.28418	1.6
89.02456	69.0
94.79948	1.6
96.96025	58.2
98.95621	4.0
99.00893	2.2
99.04568	4.5
101.02454	44.4
101.03114	2.4
101.64368	1.9
112.20322	1.8
113.02464	12.8
115.00382	2.8
115.13216	1.8
119.03516	9.6
127.00392	2.4
131.03528	32.0
135.02992	3.6
143.03513	2.1
145.01454	4.3
147.03017	2.0
149.04576	100.0
154.99863	6.9
161.04636	3.2
179.05603	3.2
185.01176	1.7
191.05629	25.0
193.04994	2.7
205.12312	2.3
216.98447	1.7
221.06639	2.3
227.12836	4.8
241.10876	2.0
243.12411	3.8
251.07707	4.8
267.06119	1.9
285.04166	2.5
301.10971	2.1
311.09879	4.0
354.06967	2.8
429.21259	3.2
503.24768	6.8
545.87463	2.0
547.20160	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	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	52.2
61.98832	2.9
62.50897	2.5
64.01775	2.4
68.32985	2.7
70.97478	5.7
73.02974	2.8
85.02968	4.6
86.41763	2.5
88.45036	2.5
93.03522	3.3
108.02205	3.2
111.00904	5.7
123.04539	2.9
126.40882	2.5
134.03706	7.1
148.05313	3.5
149.06067	7.0
164.04843	2.7
175.04068	3.0
176.04811	59.4
179.07146	3.6
191.05669	5.0
191.07170	72.8
192.07535	3.9
193.05032	5.2
195.06662	3.2
200.58226	2.6
222.81052	2.9
235.06157	56.0
245.08232	2.9
253.07202	5.8
281.10321	8.3
296.84064	3.2
301.10779	5.0
325.09299	100.0
326.09668	4.3
397.11447	10.5
547.16541	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	547.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	9.5
71.04488	3.7
71.04839	3.0
78.95908	90.3
99.92580	24.2
107.73029	3.1
110.98547	18.4
115.92077	17.5
116.92889	16.4
119.92703	2.8
164.99632	4.8
167.01146	12.0
174.79228	3.0
178.88422	12.0
179.89267	30.9
180.90073	15.7
193.90785	44.3
194.91580	22.9
196.89513	100.0
204.90399	3.5
210.91087	11.8
213.57736	3.0
248.92717	5.4
250.94165	6.4
252.92130	5.0
266.93674	11.2
267.94611	4.2
279.23273	15.6
499.14920	4.5
529.16870	22.0
530.16748	3.5
543.14178	10.3
547.17786	89.1
547.29913	4.3
548.18042	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	547.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88937	0.4
57.38388	0.4
57.59084	0.4
59.01387	2.8
69.15399	2.8
69.15816	0.9
70.77435	0.5
71.01373	0.8
75.00840	0.4
81.54863	0.4
83.85866	0.5
85.02989	1.0
87.00880	0.5
89.02410	0.4
93.03443	0.4
96.96028	0.8
98.21808	0.9
101.02472	0.9
108.02183	1.2
109.02997	0.6
115.00340	0.5
119.03510	0.4
121.02964	2.1
122.35812	0.4
123.04555	0.7
128.59706	0.4
131.04987	0.6
133.02959	0.8
134.03755	0.9
135.03029	0.5
135.04530	2.2
143.05023	1.0
145.02980	4.1
146.03813	2.5
147.04536	3.0
156.65614	0.5
158.03748	14.3
159.04485	2.3
161.04543	0.5
161.06117	1.3
163.04028	0.7
164.04787	0.5
165.05585	5.4
171.04501	1.5
174.03209	0.7
175.04015	1.0
176.04826	1.4
178.06427	0.5
189.05583	1.3
190.02856	0.5
191.05646	3.6
207.06592	0.9
208.03766	0.7
209.06122	0.6
214.34770	0.4
221.06165	0.9
223.07693	0.9
225.09410	1.0
231.22816	0.4
233.05984	0.7
235.07678	1.5
236.08432	0.7
237.05638	0.9
237.09218	1.2
238.06259	0.5
239.07143	0.7
247.07590	1.7
249.05542	0.4
251.07141	2.1
252.07971	1.1
253.08652	1.5
254.05843	0.8
254.09505	4.6
259.07645	0.6
261.05716	0.7
262.06418	1.2
263.04593	0.6
263.07144	3.3
264.07870	1.9
265.05084	0.5
265.08704	3.5
267.06729	0.8
268.07382	2.8
269.08160	0.9
274.06357	1.1
275.07101	3.0
276.07874	1.7
277.08740	1.4
279.06680	3.0
280.07437	19.9
281.08121	5.6
282.08981	6.3
283.09726	5.1
291.06714	3.0
292.07309	3.5
293.08212	6.4
294.09021	16.0
295.09772	27.5
296.10114	1.6
297.07724	1.0
298.08478	1.7
307.09879	0.9
308.07053	0.6
309.07718	18.9
310.08499	30.6
311.08844	2.1
313.10852	23.7
314.11234	1.7
323.98264	0.5
325.10843	100.0
326.11191	7.8
343.11880	8.1
344.12457	0.8
355.08185	1.7
498.15485	0.7
517.17133	5.0
517.23920	0.7
518.17706	0.5
529.17181	7.3
530.17603	0.7
547.18329	5.3
548.18695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	48.5
61.98817	20.9
68.99850	100.0
71.01379	30.4
79.77477	9.2
85.02985	16.7
89.02449	38.3
98.22571	13.7
101.02449	26.0
113.02481	10.4
119.03542	12.4
149.04559	17.9
213.24937	10.5
486.52859	9.3
547.19531	18.4
547.30457	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	547.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02382	3.6
58.80759	3.2
59.01384	100.0
60.17657	3.7
61.98829	6.6
71.01382	38.5
71.26704	4.2
72.97552	4.6
72.99297	5.6
74.28156	3.7
84.02203	4.7
85.02961	12.3
87.00874	5.2
89.02456	46.1
91.34595	3.5
91.72778	3.6
94.12153	3.4
95.01399	4.3
97.02933	4.9
97.90030	3.2
101.02440	17.5
103.92065	4.6
104.92850	5.8
111.00906	15.4
113.02467	20.6
119.03508	13.0
123.04501	4.9
135.04498	5.9
141.01704	46.0
143.27451	3.9
149.02388	4.8
149.06097	4.3
161.04631	7.6
163.04095	5.2
171.94652	5.8
176.04776	15.1
177.05612	4.3
178.02725	4.4
179.05669	9.3
191.05637	6.2
191.07210	13.6
193.05083	5.5
205.12469	6.8
223.06166	13.0
235.06131	15.8
247.11964	6.4
289.12891	5.3
319.43518	3.8
325.09366	13.3
397.11569	8.8
427.18271	35.6
428.18518	4.9
487.20480	19.0
547.16193	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.0
55.29604	1.1
57.03434	3.1
58.00583	2.4
59.01387	45.5
61.98765	1.1
65.33892	1.2
69.03456	1.4
69.27216	8.2
71.01392	27.2
72.99301	2.2
73.02940	4.5
75.00869	4.0
79.22566	1.1
83.01386	4.6
83.43695	0.9
85.02959	7.9
87.00878	3.4
89.02461	26.2
95.01390	2.4
96.96007	1.7
98.95610	1.5
99.04534	100.0
99.92609	1.4
100.04859	2.1
101.02460	17.8
113.01884	1.0
113.02479	10.8
115.00401	1.1
116.92831	1.9
117.01917	2.4
119.03497	8.8
121.02958	1.8
123.49059	1.1
129.01895	1.5
131.03502	1.3
134.03734	2.0
135.03024	9.4
139.11310	3.4
143.03510	1.4
147.03084	1.4
149.04677	1.1
149.09755	2.1
154.99825	2.3
157.01460	1.2
161.04512	2.0
179.05548	2.9
183.10246	3.8
191.05544	1.8
193.05005	3.1
199.13231	1.3
205.15913	1.5
227.12848	2.1
229.08644	1.8
229.29066	1.1
243.12378	9.3
247.08687	2.7
249.11343	2.2
249.15005	2.6
267.12292	1.3
307.10861	1.4
335.10419	3.6
339.09821	1.7
361.14984	6.6
367.13028	12.1
379.22241	1.2
411.20215	4.0
429.21390	61.7
430.21918	5.5
469.24445	1.2
547.23950	47.9
548.24512	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	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00843	0.4
56.33212	0.5
58.00601	0.8
59.01384	17.4
71.01400	7.7
71.62260	0.5
72.99293	0.7
73.02943	1.3
75.00877	2.3
83.01403	0.8
84.82998	0.5
85.02964	1.5
89.02458	9.0
99.04533	100.0
100.04887	1.2
101.02464	4.4
113.02446	2.7
117.01973	1.2
119.03518	3.5
127.13496	0.6
129.01974	0.6
135.03029	6.3
142.70551	0.5
143.03517	0.6
149.09718	1.1
161.04552	0.9
179.05653	1.6
180.24850	0.5
181.12337	0.9
195.90205	0.6
217.07143	0.9
243.12370	2.4
262.19174	0.5
295.16614	0.6
322.40421	0.5
329.16080	0.8
359.13522	0.8
361.14993	1.3
385.14987	1.0
411.20395	1.1
422.31494	0.6
429.21390	19.7
430.21506	2.1
453.40561	0.6
547.23920	34.1
548.24255	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	547.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54924	0.9
52.70103	0.9
53.26726	0.9
55.01886	2.0
57.03455	3.0
58.00601	4.1
59.01386	92.9
69.03462	1.3
69.23737	5.0
69.24142	2.3
71.01389	84.4
72.01747	1.2
72.99317	5.3
73.02951	16.5
81.03473	1.1
83.01396	6.5
85.02959	19.4
85.32379	1.1
87.00893	9.8
89.02456	100.0
90.02768	1.0
95.01411	8.1
96.96043	4.8
97.03010	3.2
99.00910	3.6
101.02457	69.6
102.02814	1.3
111.00944	1.2
113.02468	39.2
115.04044	1.4
119.03520	41.7
119.04363	2.4
123.04522	1.0
123.08162	1.8
125.02491	6.1
127.84857	0.9
131.03523	11.5
135.04576	1.8
143.03510	15.7
145.01357	1.0
149.04578	3.7
153.09229	2.9
159.03073	2.1
159.76253	1.2
161.04576	27.7
179.05632	96.4
179.10822	4.3
180.05942	2.1
187.11208	1.2
191.05667	4.5
192.02744	2.1
205.12340	9.1
221.06662	27.2
281.08771	1.6
323.09784	1.3
341.10901	1.6
385.18658	1.8
503.21182	1.9
529.22931	4.0
547.24451	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	547.2922
Annotation	Paliurine E
Peak:m/z	Relative Intensity
51.06472	0.6
52.27751	0.6
56.52301	0.6
57.03457	0.8
59.01388	7.2
61.36147	0.6
61.98827	2.2
68.49407	0.6
70.79086	1.4
71.01387	1.5
95.08303	0.7
101.02457	0.9
113.02422	1.5
411.29138	1.2
423.29010	1.2
437.26941	2.0
439.28629	1.1
451.24893	1.3
453.26553	1.9
455.28085	7.0
467.28052	12.5
471.27820	0.9
481.25906	1.8
483.27615	1.6
485.29294	7.1
487.32770	1.3
499.27075	32.7
500.27716	3.4
501.28741	2.7
517.28540	1.0
547.29187	100.0
548.29523	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	547.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19564	0.6
55.01889	0.8
57.03448	2.2
57.07703	0.7
58.84018	0.7
59.01386	100.0
61.98843	1.0
69.01685	7.4
71.01391	15.0
72.99327	1.5
73.02943	4.1
74.68201	0.7
83.01412	2.4
85.02963	8.1
85.03432	0.9
87.00894	1.5
89.02448	3.6
95.01427	1.9
97.02991	1.0
98.22527	1.5
99.00911	2.2
101.02448	8.6
113.02464	12.6
119.03526	1.7
132.87547	0.7
143.03568	1.8
143.10802	3.3
155.90872	0.7
159.03056	1.1
161.04578	7.3
204.74852	0.7
313.27673	0.8
343.28589	3.7
487.32837	19.6
488.33188	2.5
505.33951	15.4
505.41376	0.9
506.34256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.74140	0.5
57.03459	2.1
59.01386	100.0
60.01734	1.0
63.71377	0.6
71.01386	16.5
71.05024	1.3
71.26939	0.8
72.99308	0.7
73.02974	4.2
83.01414	2.4
85.02959	7.0
89.02478	2.6
95.01411	1.5
97.03052	0.8
99.00919	2.1
101.02457	10.1
105.19411	0.7
113.02461	10.1
119.03518	1.2
125.02470	1.5
143.03535	2.3
143.10774	3.2
158.89090	0.6
159.03047	1.1
161.04562	6.4
175.74547	0.6
211.17159	0.8
229.94067	0.6
251.33641	0.6
313.27658	1.1
325.27618	1.7
327.29236	0.7
343.28598	9.5
367.28766	1.1
385.29807	0.8
417.87360	0.7
450.16388	0.7
487.32825	25.2
488.33438	2.9
503.29968	0.7
505.33832	10.6
505.40414	0.7
506.34531	1.0
547.29816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88145	0.3
55.01881	0.8
57.03446	1.3
59.01386	100.0
60.01720	0.8
61.98849	0.3
62.41092	0.3
71.01392	14.8
71.64546	0.3
72.99321	0.6
73.02952	3.6
75.00883	0.4
83.01398	2.1
85.02960	6.8
86.00185	0.2
87.00910	0.5
89.02461	4.1
95.00913	0.2
95.01388	1.3
99.00896	1.7
101.02459	7.2
111.00845	0.3
113.02464	9.0
119.03493	1.3
125.02525	0.5
128.32542	0.3
129.01950	0.5
135.03088	0.5
143.03558	1.6
145.01509	0.9
150.06192	0.3
159.03075	1.1
161.04581	6.7
161.05872	0.4
162.04930	0.5
162.36769	0.3
179.05710	0.6
269.45694	0.3
271.22830	0.5
304.45212	0.3
325.27469	2.0
343.28525	1.9
416.77197	0.3
417.53250	0.3
469.31976	2.0
470.32623	0.3
487.32870	11.7
488.33246	1.3
505.33890	6.8
506.34714	0.8
547.19482	0.8
547.31921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.8
59.01385	24.3
60.99306	1.3
61.98840	1.1
63.34414	0.4
63.73621	0.4
70.62852	1.2
71.05025	1.2
72.99304	0.5
75.00883	5.1
76.20032	0.4
83.05041	0.5
91.65066	0.4
96.96057	0.5
97.06718	0.6
103.95030	0.4
107.23753	0.4
116.60508	0.4
133.91820	0.3
179.38303	0.4
407.29895	0.5
411.67252	0.5
413.34433	0.6
423.33105	1.1
425.34586	2.4
427.32138	0.5
429.33786	0.7
441.34070	0.7
443.35535	0.7
444.35919	0.5
453.30438	0.4
455.36060	0.4
469.33420	3.2
470.34055	0.5
471.34918	7.3
472.35272	1.2
473.36649	0.9
483.34879	1.4
485.32104	0.7
485.37500	0.8
486.37256	0.5
487.34927	0.5
493.32391	0.4
499.34497	1.0
501.36063	1.1
503.33347	7.3
504.34805	0.8
511.34247	3.5
512.34338	0.4
515.33789	1.2
529.35706	2.5
547.36591	100.0
548.36847	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	547.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01387	81.9
60.59070	1.2
61.51627	1.2
61.98835	2.4
68.59615	1.2
70.79422	2.4
71.01371	1.4
71.05013	1.6
75.00916	1.4
118.89971	1.3
139.11314	1.3
192.80624	1.3
207.17584	3.6
237.14893	1.9
265.17987	1.4
274.54526	1.4
443.35175	3.2
475.30313	2.9
485.36929	10.1
486.36642	1.9
487.34305	1.6
503.30597	5.0
519.29822	1.6
529.35260	1.5
547.36945	100.0
548.37500	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	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.8
59.82733	1.3
61.98800	1.4
68.93808	1.3
69.66219	4.3
69.66631	2.0
71.05020	1.8
75.00878	3.5
77.65326	1.3
105.93016	1.1
111.08163	2.9
125.09753	2.1
137.09737	2.3
139.11296	10.2
191.19257	1.3
195.13942	1.5
211.17204	1.2
219.13881	1.6
237.98569	1.4
239.24223	1.5
279.16284	1.5
307.19193	7.0
445.33469	6.3
469.32660	1.6
485.36520	19.0
486.36841	2.8
487.34372	7.1
489.32199	16.2
490.32681	2.8
511.30649	2.2
517.35571	2.1
522.06580	1.4
529.35284	8.7
547.28174	12.0
547.36395	100.0
548.28699	2.3
548.36896	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	548.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	3.5
59.01386	61.6
60.88870	1.8
61.98840	100.0
71.01390	13.7
73.02945	6.2
85.02977	2.2
87.00885	2.2
89.02460	5.8
95.01458	2.1
98.22546	4.1
101.02436	9.4
113.02483	4.3
119.03539	3.2
161.04544	3.8
161.08292	1.9
219.14096	2.1
237.14871	2.0
285.04071	10.6
286.04431	3.0
300.19589	2.5
311.86121	1.8
548.31421	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	548.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14243	1.1
55.01872	1.4
56.86834	1.1
57.03453	1.9
58.00584	1.5
59.01385	100.0
60.01729	2.1
61.98838	89.2
71.01387	12.9
73.02939	4.2
83.01390	1.8
85.02950	7.2
89.02457	3.2
95.01414	1.4
99.00938	1.8
101.02443	8.9
113.02452	8.0
119.03548	1.5
161.04613	3.3
255.02776	1.3
278.34561	1.1
344.24008	1.2
345.30139	5.9
364.09534	1.1
445.63174	1.2
475.29123	2.6
486.29489	2.0
487.70822	1.4
488.33249	4.0
489.34457	19.3
506.34412	1.7
507.35284	7.1
548.29419	10.5
549.32831	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	548.236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44094	1.9
52.88184	1.9
57.03457	3.0
59.01385	100.0
59.85195	1.7
60.01706	4.1
61.98837	64.2
67.54918	1.7
69.36317	13.8
71.01398	18.5
72.99318	2.0
73.02945	3.5
73.68225	2.1
81.10359	1.9
83.01390	4.5
83.64465	1.8
85.02978	7.3
89.02455	6.1
101.02459	10.0
111.00849	2.8
113.02491	10.5
119.03556	2.4
143.10896	2.9
161.04567	3.5
168.15245	2.1
225.49847	2.0
247.16626	2.3
283.02502	3.1
285.04214	3.8
343.28922	2.6
344.28769	3.6
442.26929	2.2
483.66779	2.4
487.32867	7.1
488.33304	18.3
489.34070	3.2
505.34024	4.8
506.34323	8.2
507.35199	3.4
548.28754	4.1
549.31018	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	548.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42751	0.5
59.01387	3.5
59.56802	0.5
61.98837	100.0
69.12547	4.2
71.18655	0.4
80.96518	0.8
93.75481	0.5
107.30585	0.5
173.48038	0.5
452.55585	0.6
461.77634	0.6
548.33295	2.0
549.23535	1.1
549.34637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.4
61.98838	100.0
69.12503	6.3
75.34426	0.7
79.75262	0.8
90.91933	0.7
98.21832	1.7
137.36497	0.8
197.67725	0.8
244.29692	0.9
254.44193	1.0
335.00156	0.9
421.84393	1.0
427.32785	1.1
486.41559	0.8
548.32831	2.6
549.35114	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.58151	0.3
61.98832	1.1
77.03974	2.0
81.80971	0.3
93.03461	0.5
98.21827	1.0
121.02973	100.0
122.03329	2.6
137.02470	0.5
147.04512	0.7
165.01950	54.8
166.02310	1.6
180.05862	0.9
181.06625	3.0
197.06102	2.0
207.04562	0.7
223.04109	0.5
225.05635	1.5
257.09692	0.5
269.16022	0.3
292.01822	0.4
295.06030	0.5
313.07217	1.5
357.06137	1.1
373.10260	0.4
383.07590	0.6
403.34174	0.3
417.09808	2.3
505.11884	1.6
544.80872	0.4
549.10468	24.1
549.30310	1.6
550.10706	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77733	1.4
55.01875	2.5
56.45230	2.0
57.03458	8.6
59.01386	100.0
60.70777	1.8
60.99293	1.6
64.78544	1.7
66.53300	1.5
70.44180	2.1
70.44514	3.9
71.01389	30.9
72.99305	3.7
73.02962	9.8
74.25846	1.5
75.00872	3.7
83.01406	5.9
85.02955	10.3
87.00890	11.7
89.02462	16.8
93.03477	3.1
99.00888	2.5
101.02448	17.0
105.01949	13.0
111.00884	4.8
113.02484	11.1
115.00364	2.1
118.77448	1.7
118.98083	2.9
119.03506	7.6
119.05043	5.9
127.00403	2.0
129.01962	7.0
132.04564	2.3
134.02486	3.7
134.06123	6.3
135.03004	6.3
135.04488	3.4
139.11293	1.9
142.98047	2.3
145.01520	2.1
147.02965	12.0
154.99889	6.1
158.02585	3.0
160.04062	1.7
160.99101	1.7
161.04591	3.9
162.01982	2.2
163.04028	4.9
172.44516	1.9
173.04488	2.3
179.00226	8.7
179.05620	4.7
181.12364	2.2
183.10318	3.3
190.05077	11.3
191.05638	4.5
207.14032	7.9
209.11794	4.1
222.07730	4.5
225.11366	2.4
225.14995	14.2
227.12930	29.2
227.15154	3.0
241.09781	2.3
243.12396	16.4
245.21338	2.1
267.07666	3.3
269.13986	9.7
287.15033	37.5
293.05710	3.9
309.08832	5.0
337.08313	6.1
337.12027	4.4
361.14957	7.2
369.14380	2.7
375.16440	4.7
386.37250	2.1
387.16525	7.0
399.16620	5.4
402.94525	1.8
405.17603	4.2
417.17728	17.3
421.16183	2.2
449.43875	1.9
505.19312	8.3
517.13849	26.3
549.19354	8.0
549.26489	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	549.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.5
57.03448	2.6
59.01385	39.1
60.01743	0.9
61.87550	0.8
69.03454	0.9
71.01390	15.6
72.99323	1.7
73.02953	5.8
75.00873	2.1
75.86774	0.8
81.35892	0.8
83.01392	7.6
83.56284	0.7
85.02976	2.4
87.00903	6.4
89.02456	11.2
95.05047	1.0
97.23431	0.7
99.00858	1.8
99.04549	1.0
101.02438	5.8
103.00436	1.0
111.00903	2.5
112.98819	4.3
113.02481	4.3
115.00404	1.4
117.01966	2.0
119.03505	3.6
127.00381	3.8
129.01912	1.7
135.03036	2.3
136.01645	0.8
137.06075	1.0
139.10219	1.6
139.11308	27.9
140.11658	1.2
141.72594	0.8
143.03497	1.1
145.01460	5.3
147.03006	0.9
151.00375	0.9
151.04034	3.0
153.05600	1.3
154.99886	46.4
161.04555	1.0
163.11308	3.2
166.02747	1.0
169.01447	2.1
179.05586	1.8
181.05069	2.3
181.12366	14.8
183.10284	33.9
184.10616	1.6
199.13387	8.3
203.07193	1.5
207.10365	1.2
225.11339	13.7
239.12943	1.2
243.12398	100.0
244.12650	5.4
249.11339	4.0
267.12448	1.7
279.62564	0.9
285.13367	4.7
343.14221	1.3
354.03958	0.8
357.09988	1.0
361.15085	75.5
362.15485	6.0
369.13266	1.0
387.14682	4.3
403.16000	4.4
431.23218	1.3
433.24899	1.6
489.16159	1.3
549.24823	1.0
549.30920	1.0
554.38989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	11.3
56.01475	1.1
57.03448	2.7
58.00608	1.5
59.01385	64.9
61.98844	1.4
71.01392	31.6
72.99328	3.3
73.02959	9.2
75.00874	2.9
83.01392	11.4
85.02958	6.4
87.00904	6.4
89.02458	21.6
95.01436	2.1
95.05026	1.9
99.00907	3.3
101.02457	13.5
111.00891	2.7
112.98824	4.1
113.02477	9.5
115.00406	3.1
117.01951	2.1
119.03493	11.0
127.00381	4.4
129.01956	2.4
135.03011	2.0
136.01695	5.1
137.02509	1.5
138.03239	1.7
139.11304	34.8
139.12338	2.2
140.11638	1.8
145.01483	6.3
147.02966	1.4
151.00388	1.6
151.04015	5.5
153.05597	3.2
154.99889	51.7
161.04567	2.3
163.11307	4.3
165.09152	1.5
166.02727	4.4
166.99968	1.6
179.05666	5.4
181.05148	6.7
181.12360	18.8
183.10271	39.7
184.10657	1.4
187.02512	1.5
199.13426	9.8
203.07028	2.8
207.10353	1.5
211.40825	1.1
225.11340	15.1
243.12392	100.0
244.12784	5.3
249.11263	5.2
264.17200	1.2
267.12418	1.6
285.13391	3.9
296.64005	1.3
309.07599	1.2
339.12411	1.6
353.23053	1.2
357.09836	2.4
361.15085	88.8
362.15573	5.6
369.13596	5.4
387.14618	14.5
388.14911	2.0
403.16269	6.1
431.22983	1.4
433.24634	2.9
437.16248	1.2
549.25470	2.2
549.30353	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	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10584	2.0
58.00602	4.6
59.01386	100.0
60.57419	1.6
61.98821	6.6
71.01390	77.4
71.26866	3.3
72.99319	10.2
73.02946	4.4
75.00874	1.8
75.75131	1.5
83.01390	5.0
85.02962	13.6
87.00869	4.6
89.02456	95.2
92.64177	2.0
95.01405	3.6
101.02454	38.6
104.99161	1.8
113.02462	30.2
116.92879	2.0
119.03507	36.0
121.02904	2.4
123.00896	4.2
125.02521	2.2
131.03474	4.3
134.03763	1.8
135.04536	2.7
136.00705	1.6
136.01634	10.4
137.02425	4.6
138.03249	12.1
143.03511	5.7
149.04526	3.6
151.00362	4.3
151.04019	17.8
153.05614	13.7
160.05249	2.4
161.04547	7.1
161.05838	1.9
165.05453	3.0
166.02687	13.8
166.99931	3.0
174.03268	2.8
175.03912	2.3
177.05592	2.1
179.05634	19.6
181.05069	12.7
182.26598	2.0
187.03972	3.8
188.04790	4.9
191.05692	2.8
203.07164	21.3
204.07477	1.8
238.06340	2.9
250.24829	2.2
294.05466	2.4
301.03442	2.3
309.07703	2.2
313.11078	2.0
321.07416	1.9
324.10046	4.3
339.08829	2.9
339.12347	10.6
357.09732	2.7
357.13672	4.2
361.15152	2.3
369.13528	21.6
372.12085	2.3
387.14627	34.9
387.19727	3.4
388.14905	3.7
395.26346	2.0
433.24292	3.1
461.80704	2.0
479.18884	1.9
549.29834	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	549.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
58.00607	3.3
59.01387	97.4
61.98829	2.7
70.81079	1.8
71.01392	54.7
71.27167	2.8
72.99297	4.4
73.02935	6.1
75.00868	3.1
77.97246	1.6
83.01372	6.7
83.11338	1.7
83.63545	1.8
85.02970	14.3
87.00883	6.2
89.02458	57.4
95.01392	2.5
99.00875	2.8
101.02459	35.3
106.06609	4.6
111.00882	3.7
113.02461	16.6
113.66064	1.9
116.92910	1.8
119.03512	15.7
130.03011	3.2
131.03526	15.4
132.04553	7.2
134.06151	50.1
135.02994	5.0
135.06502	2.2
139.11360	2.1
145.22429	1.6
147.03151	2.5
148.04016	2.4
149.03378	2.3
149.04576	43.6
152.07173	4.6
158.02515	15.8
160.04068	3.2
161.04533	3.6
162.05620	3.9
171.40347	2.0
179.05652	1.8
183.10266	4.8
190.05122	76.5
191.05638	13.0
192.06673	4.2
222.07745	36.0
227.12979	2.4
234.07613	3.5
243.12473	8.7
251.12796	1.8
263.07965	2.1
269.13928	1.6
277.09735	2.7
286.44589	1.9
287.14966	3.0
305.09259	5.1
309.08844	4.4
309.12485	5.3
311.09995	2.3
314.12405	14.2
322.09457	2.4
337.12000	49.3
338.12247	5.1
361.14954	8.1
369.14560	28.0
370.15152	2.1
503.24622	2.4
517.18347	89.2
518.18512	13.2
549.20825	100.0
550.21191	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	549.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03456	4.0
58.00568	2.9
59.01388	68.2
61.98828	1.5
69.03457	0.9
71.01392	53.4
71.28077	1.0
72.99299	3.5
73.02959	6.8
75.00867	2.1
83.01392	5.4
85.02962	27.3
87.00878	4.1
89.02456	37.9
95.01398	9.0
97.02959	1.4
99.00861	3.3
99.04561	1.0
101.02457	27.3
111.00884	1.5
113.02466	43.8
114.02802	1.4
119.03524	13.8
125.02531	1.6
129.01909	0.9
131.03522	2.0
135.03000	1.2
137.02408	0.9
143.03502	3.4
149.04556	1.0
151.07713	1.0
152.08470	1.0
159.02957	1.4
161.04570	8.5
163.11256	2.2
179.05666	8.3
191.05605	1.6
197.15376	0.9
207.10201	2.9
221.06613	2.3
225.11310	0.9
225.14996	6.6
259.68948	0.9
263.07700	1.0
333.61481	0.9
357.13397	0.9
386.19394	3.4
387.20328	55.9
388.20596	4.2
431.18930	2.4
469.55228	0.9
549.21759	100.0
550.22113	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	549.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
57.03447	1.8
58.00585	2.0
58.40858	0.7
59.01388	88.5
60.01709	1.2
60.27872	0.7
62.09034	0.7
71.01393	60.8
72.99328	5.7
73.02958	11.7
75.00854	1.0
79.12385	0.9
83.01402	5.2
85.02496	1.3
85.02969	20.9
87.00878	6.6
89.02458	52.7
95.01408	5.8
97.02946	1.8
99.00877	3.5
101.02461	40.8
102.02770	0.9
113.02470	25.5
115.03992	0.8
119.03523	21.1
125.02421	2.2
128.63879	0.8
129.01938	1.0
131.03520	7.4
134.50856	0.9
143.03503	4.6
149.04608	1.5
159.02950	1.2
161.04581	15.9
163.11259	3.0
177.01938	1.1
179.04173	1.1
179.05658	15.4
191.05557	1.2
192.04303	1.4
207.06642	1.9
207.10176	3.3
221.06680	8.5
227.19734	0.8
263.07779	1.3
387.16397	2.3
387.20673	1.9
489.23676	1.3
513.25299	2.5
531.20428	1.7
549.21777	100.0
550.16058	0.8
550.22272	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	549.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53791	0.7
54.26156	0.7
57.03431	2.0
58.00588	1.6
59.01387	65.4
61.98819	1.1
69.10101	6.3
71.01389	43.8
72.01707	1.0
72.99297	2.8
73.02954	7.0
75.00882	0.9
81.94823	0.8
83.01418	4.7
85.02497	0.8
85.02959	11.4
87.00894	5.9
89.02454	34.0
93.03453	0.8
95.01411	4.8
97.02953	1.5
99.00877	2.7
101.02456	28.6
109.62165	0.7
113.02463	18.7
114.01843	0.7
115.00369	1.3
119.02695	1.1
119.03503	15.4
125.02444	1.8
131.03506	6.4
143.03470	3.1
149.04549	1.5
159.02919	1.4
161.04578	13.0
163.11249	3.1
177.02020	0.9
179.04140	0.9
179.05637	11.8
192.04222	1.3
207.06606	1.7
207.10266	2.6
221.06682	6.3
263.07803	1.4
324.88477	0.8
359.17642	0.9
387.16272	1.7
387.20566	1.5
398.50790	0.7
431.19022	1.1
513.25366	1.4
531.20935	1.1
549.21808	100.0
550.22168	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	549.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03456	4.0
58.00568	2.9
59.01388	68.2
61.98828	1.5
69.03457	0.9
71.01392	53.4
71.28077	1.0
72.99299	3.5
73.02959	6.8
75.00867	2.1
83.01392	5.4
85.02962	27.3
87.00878	4.1
89.02456	37.9
95.01398	9.0
97.02959	1.4
99.00861	3.3
99.04561	1.0
101.02457	27.3
111.00884	1.5
113.02466	43.8
114.02802	1.4
119.03524	13.8
125.02531	1.6
129.01909	0.9
131.03522	2.0
135.03000	1.2
137.02408	0.9
143.03502	3.4
149.04556	1.0
151.07713	1.0
152.08470	1.0
159.02957	1.4
161.04570	8.5
163.11256	2.2
179.05666	8.3
191.05605	1.6
197.15376	0.9
207.10201	2.9
221.06613	2.3
225.11310	0.9
225.14996	6.6
259.68948	0.9
263.07700	1.0
333.61481	0.9
357.13397	0.9
386.19394	3.4
387.20328	55.9
388.20596	4.2
431.18930	2.4
469.55228	0.9
549.21759	100.0
550.22113	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03453	2.0
58.00600	4.7
58.46518	0.6
59.01384	100.0
61.98831	7.4
65.42213	0.6
69.14104	1.6
69.14523	4.0
71.01389	71.8
72.01719	0.8
72.99304	4.2
73.02974	3.0
75.00915	0.9
75.59794	0.7
75.94386	0.6
78.53388	0.9
83.01392	2.6
85.02960	12.2
87.00893	3.7
89.02453	87.9
90.02753	0.9
93.03452	1.0
95.01398	4.6
99.00907	0.9
101.02454	33.1
102.02763	0.7
109.03016	0.8
109.54346	0.6
113.02465	28.9
119.03519	35.7
120.03815	0.7
125.02471	1.6
131.03506	4.3
137.78590	0.7
143.03511	7.3
149.04509	2.3
161.04572	8.2
163.04007	0.9
165.05530	0.8
179.05626	22.6
179.07193	1.4
191.05614	1.1
221.06573	1.5
305.49088	0.7
376.74380	0.7
387.20139	1.2
549.24524	5.4
550.24756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
57.03448	5.2
58.00613	2.3
59.01387	94.5
60.01743	1.2
61.98815	1.0
71.01390	100.0
72.01733	1.0
72.99330	6.2
73.02954	17.8
73.39473	1.0
75.00881	1.8
75.85133	1.1
83.01394	10.9
84.02186	1.1
85.02962	38.7
86.03309	1.3
87.00877	10.1
89.02454	68.3
93.03497	1.8
95.01385	9.1
97.02981	2.4
99.00895	8.8
101.02457	66.8
102.02786	1.8
112.01732	1.2
113.02468	52.8
115.00343	0.9
119.02672	2.0
119.03519	30.1
125.02467	4.0
131.03516	13.5
137.02432	1.8
137.09846	1.2
143.03535	11.1
148.35434	0.9
149.04599	1.7
153.14099	1.1
153.40385	0.9
159.02972	5.2
161.04567	39.4
163.04053	1.0
163.40166	1.2
179.05629	45.6
189.12865	8.1
191.05650	1.0
207.13937	2.4
221.06680	41.7
222.07001	1.4
263.07718	14.4
290.06598	1.0
387.15613	1.6
387.20282	21.6
388.20438	1.3
431.19110	2.4
505.23413	1.9
549.24860	37.4
550.24835	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	549.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.5
57.03447	2.4
58.00591	5.0
59.01386	100.0
61.98816	3.8
68.90762	0.7
69.14561	0.7
69.31734	2.1
69.32147	3.2
71.01390	81.5
72.01734	1.5
72.99321	6.6
73.02952	6.3
79.91843	0.7
83.01385	5.6
85.02957	23.5
87.00877	5.1
87.12102	0.8
89.02457	84.9
90.02822	0.8
95.01411	5.2
99.00905	2.6
101.02455	51.8
102.02800	1.0
107.25763	0.7
109.02979	1.4
111.00861	0.8
113.02466	42.6
114.02843	1.0
118.69363	0.8
119.03519	38.4
125.02488	1.1
131.03549	5.1
134.03769	2.4
137.09734	1.3
143.03522	7.6
146.03732	0.9
147.04552	1.2
149.04576	3.9
159.03036	2.1
161.04585	15.7
173.06084	0.9
179.05634	21.7
189.12898	1.8
192.04294	1.4
193.05063	1.9
207.06657	1.2
207.13872	1.0
221.06667	5.5
225.15004	1.4
241.05153	1.7
255.06619	0.8
263.07788	1.3
267.06491	1.2
282.09003	1.9
297.11377	1.7
369.19275	2.8
387.20294	9.5
431.19324	0.8
549.16107	11.2
549.25348	54.2
550.16321	1.7
550.26178	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	549.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74734	1.2
52.45261	1.0
55.01874	6.2
57.03445	3.9
58.00597	3.2
59.01385	94.3
70.61569	2.7
71.01390	100.0
72.01721	1.3
72.99301	3.8
73.02957	20.3
75.00858	1.8
83.01400	13.4
85.02961	35.9
87.00878	10.3
89.02455	66.0
95.01412	7.8
97.02976	3.5
99.00906	9.6
101.02454	75.3
102.02802	2.3
108.22662	1.1
113.02463	46.4
113.27177	1.1
119.03514	31.8
125.02462	4.6
129.01941	1.4
131.03537	11.4
143.03531	10.3
149.04587	2.4
159.02943	6.5
161.04573	50.0
162.04898	1.6
173.09648	1.4
179.05624	42.0
189.12880	13.2
207.13947	3.8
221.06691	42.7
263.07712	14.7
303.15976	1.3
321.36301	1.5
387.20285	39.7
388.20587	3.1
431.19202	2.6
549.25580	42.7
550.26001	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36747	2.1
55.01880	4.6
57.03453	5.0
58.00600	4.2
59.01096	4.0
59.01387	80.0
61.98838	25.5
65.50865	2.2
68.14481	2.4
69.03454	2.4
71.01392	56.4
71.27136	4.1
72.99306	4.1
73.02961	16.4
75.00880	6.6
83.01399	12.7
85.02961	25.4
87.00891	6.6
87.04539	5.6
89.02459	26.0
95.01375	5.7
99.00904	8.0
99.94560	2.2
101.02454	39.1
103.63873	2.3
113.02465	23.3
119.03529	8.8
119.05077	2.8
122.02514	2.2
122.06325	2.3
125.02429	2.3
125.32466	1.9
129.02002	2.9
135.03001	14.8
135.04564	4.4
143.08574	2.1
145.01414	7.2
145.88004	2.4
147.02979	3.3
151.00351	7.9
152.37750	2.1
154.99893	3.8
159.02919	3.0
161.04559	5.7
173.60907	2.7
177.27467	2.4
179.05576	3.0
183.04469	4.5
191.05667	3.7
216.99127	2.4
242.14047	2.4
243.12384	8.2
269.13913	2.4
269.17661	2.4
284.03281	3.2
285.03958	10.4
286.04337	4.4
287.05414	4.5
365.92273	2.6
366.09113	2.7
431.22879	100.0
432.23117	11.5
501.28659	8.5
505.26047	3.2
517.14807	3.1
549.24670	75.6
549.31982	19.7
550.25580	8.3
550.32782	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	549.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36747	2.1
55.01880	4.6
57.03453	5.0
58.00600	4.2
59.01096	4.0
59.01387	80.0
61.98838	25.5
65.50865	2.2
68.14481	2.4
69.03454	2.4
71.01392	56.4
71.27136	4.1
72.99306	4.1
73.02961	16.4
75.00880	6.6
83.01399	12.7
85.02961	25.4
87.00891	6.6
87.04539	5.6
89.02459	26.0
95.01375	5.7
99.00904	8.0
99.94560	2.2
101.02454	39.1
103.63873	2.3
113.02465	23.3
119.03529	8.8
119.05077	2.8
122.02514	2.2
122.06325	2.3
125.02429	2.3
125.32466	1.9
129.02002	2.9
135.03001	14.8
135.04564	4.4
143.08574	2.1
145.01414	7.2
145.88004	2.4
147.02979	3.3
151.00351	7.9
152.37750	2.1
154.99893	3.8
159.02919	3.0
161.04559	5.7
173.60907	2.7
177.27467	2.4
179.05576	3.0
183.04469	4.5
191.05667	3.7
216.99127	2.4
242.14047	2.4
243.12384	8.2
269.13913	2.4
269.17661	2.4
284.03281	3.2
285.03958	10.4
286.04337	4.4
287.05414	4.5
365.92273	2.6
366.09113	2.7
431.22879	100.0
432.23117	11.5
501.28659	8.5
505.26047	3.2
517.14807	3.1
549.24670	75.6
549.31982	19.7
550.25580	8.3
550.32782	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	549.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94814	18.0
54.84401	19.1
61.98796	18.6
62.72851	18.0
69.72546	100.0
78.95904	63.4
81.70251	19.8
82.31015	19.4
86.96346	18.2
94.92539	32.0
98.22433	26.0
139.27045	20.9
150.33199	20.1
152.99646	40.5
239.20198	35.7
514.66302	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	549.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74645	0.2
59.01392	1.2
65.42832	0.2
67.37955	0.2
71.01386	0.4
71.27753	0.3
77.32671	0.2
78.95921	3.8
79.76160	0.2
79.95747	2.3
89.02467	0.3
94.98140	0.3
95.97628	0.2
96.96027	100.0
96.96920	5.5
97.95957	0.2
101.02460	0.4
113.02425	0.2
120.94156	0.2
127.29131	0.2
146.03745	0.4
150.44102	0.2
176.03511	0.2
191.05772	0.2
197.42432	0.2
549.30328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3078
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
50.13477	0.2
57.03458	1.2
59.01381	1.9
60.99300	1.0
65.57293	0.2
69.03452	0.4
69.45724	1.4
71.01392	1.5
73.02957	1.3
78.95915	1.4
83.01376	0.2
84.02172	0.3
85.02987	0.3
86.64796	0.3
89.02443	0.8
95.05068	0.3
101.02461	0.8
109.06571	0.4
116.92901	0.5
119.03577	0.3
121.06632	0.4
131.12012	0.3
135.02979	0.3
149.02609	0.2
150.77408	0.3
152.99625	0.6
165.04150	0.3
189.13005	0.3
285.04080	0.4
310.79617	0.3
361.25345	0.4
369.13455	0.3
377.25021	0.4
391.26492	1.2
393.28070	0.9
395.29947	1.2
407.29709	3.6
408.30093	0.6
423.29294	0.8
431.22348	0.3
439.28711	1.1
451.28619	0.4
453.26480	0.3
455.28015	0.9
457.29602	3.8
469.29681	5.2
470.30188	0.7
471.27484	0.3
473.29141	0.8
483.27377	1.4
485.29150	0.9
487.30804	1.5
501.28641	29.9
502.28961	3.9
503.30463	0.5
505.31778	0.7
519.29761	0.8
531.29797	0.5
549.30737	100.0
550.31104	13.6
550.39673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3092
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
57.03443	2.8
58.18437	1.8
59.01382	100.0
60.01712	2.3
60.99296	1.8
61.98816	2.1
67.65504	1.7
68.96621	19.3
71.01391	14.9
73.02956	3.6
81.21845	1.8
85.02965	8.1
86.09117	1.9
89.02466	2.5
99.52209	1.8
101.02468	6.0
113.02464	8.0
116.63969	2.0
123.04549	2.4
125.82242	1.9
143.03549	2.9
150.03191	2.2
160.11159	2.0
161.04549	3.1
178.02786	4.0
179.52065	2.0
193.05008	5.7
195.84822	1.8
227.41568	1.9
235.45654	1.8
325.10825	2.7
337.10699	2.5
345.30075	8.2
389.28918	3.3
407.29959	2.3
469.29517	2.8
489.34262	21.2
501.28720	25.3
507.35480	11.0
549.17249	5.1
549.30750	99.7
550.31079	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	549.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80359	12.0
59.01389	100.0
61.98849	16.1
69.51252	81.9
71.01357	13.2
74.92414	12.9
85.02975	15.1
98.22494	25.5
122.70931	11.5
146.03893	12.5
147.93208	13.0
194.03038	11.9
227.05164	13.4
254.84973	14.3
345.73996	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	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63929	0.2
54.90091	0.2
55.01881	0.9
57.03448	1.8
58.29226	0.2
59.01385	100.0
60.01724	0.6
61.17507	0.2
62.22532	0.2
68.95239	2.4
68.99841	0.2
69.03460	0.5
69.04047	0.2
71.01390	14.5
71.93668	0.2
72.99326	0.4
73.02958	3.7
75.00874	0.3
81.03494	0.2
83.01391	2.1
83.01768	0.2
85.02961	9.5
85.06634	0.3
86.00149	0.2
87.00884	0.7
89.02454	2.9
95.01398	2.0
97.02994	0.5
99.00877	1.8
101.02456	7.5
102.20287	0.2
111.00882	0.3
113.02461	11.9
115.03967	0.2
119.03526	0.5
121.51600	0.2
124.01643	0.3
125.02402	1.1
131.03545	0.2
143.03505	1.9
143.10887	0.4
159.03070	0.5
161.04582	4.5
161.05904	0.3
179.05734	0.3
197.15608	0.9
223.20854	0.4
297.27713	0.2
299.25958	1.0
303.80557	0.3
345.30115	7.3
346.30634	0.7
432.06155	0.3
441.32761	0.3
459.33408	0.4
489.34372	24.7
490.34802	2.3
507.35446	14.5
508.35718	1.7
549.36639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01700	1.8
61.98833	4.5
62.67754	2.1
63.95253	1.8
71.01398	13.9
71.05351	2.0
71.26758	2.4
73.02950	3.6
77.62946	1.8
85.02973	3.8
96.68377	1.9
100.64761	1.9
101.02457	6.6
108.02180	3.9
113.02451	9.3
123.04509	3.9
150.03230	3.8
150.41800	2.0
161.04623	3.7
178.02664	6.6
193.05049	7.4
277.97144	2.3
279.06494	2.2
295.06223	3.3
307.06229	3.8
310.08398	2.4
324.09906	2.3
325.10867	3.5
337.10953	3.3
345.30167	8.5
353.11133	2.3
489.34317	25.6
501.28586	18.8
502.28925	3.1
507.35803	9.3
530.24982	2.0
549.18298	10.3
549.30725	70.4
550.31097	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	549.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04232	0.5
55.98669	0.5
57.03450	1.6
59.01385	100.0
60.01722	1.0
61.98840	4.7
62.77126	0.5
68.94886	0.8
68.95277	5.1
71.01388	11.8
73.02946	2.3
83.01395	2.5
85.02956	6.0
87.00893	1.2
89.02454	2.6
92.09589	0.5
95.01395	1.0
97.02986	0.7
98.21793	1.1
99.00912	1.6
101.02443	6.9
113.02463	7.8
119.03571	0.7
143.03519	1.2
161.04570	2.7
183.13994	1.9
285.72379	0.5
295.22897	1.1
299.26053	1.7
303.72595	0.6
313.23993	1.2
345.30069	8.1
346.30676	0.7
459.33868	0.5
475.29318	3.0
489.34381	28.0
490.34521	2.9
507.35410	11.0
508.35986	1.7
513.30835	0.7
549.32684	6.3
550.33704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
61.98838	100.0
78.95900	9.4
96.96029	10.2
152.99626	1.5
156.26559	1.3
255.23322	6.8
452.27890	2.3
545.96765	1.7
550.35498	1.4
553.57532	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	550.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.70479	2.4
60.01710	5.6
61.98836	16.9
69.40845	9.2
69.41245	6.2
71.01392	46.3
72.99303	3.1
73.02961	11.7
75.00848	2.3
79.27442	3.0
82.95439	5.2
83.01385	7.2
84.95140	2.7
85.02973	20.0
86.22524	2.3
87.00887	12.5
89.02444	17.8
95.01416	4.6
99.00894	3.9
101.02454	29.2
112.89220	2.4
113.02444	23.7
119.03507	6.2
125.02496	3.4
129.01118	2.4
135.02992	4.9
159.03001	4.5
161.04549	20.4
169.34004	2.2
179.05614	6.1
179.90187	2.7
190.14563	2.2
209.08597	2.4
223.20407	2.8
226.05519	2.4
237.01863	4.2
285.04205	5.9
297.28516	2.4
345.30191	10.3
346.30441	4.4
359.16971	3.2
389.03070	8.2
416.01886	4.7
424.91345	3.0
483.16458	2.7
490.34790	18.5
507.35471	72.4
508.35898	17.8
523.06781	7.4
550.17889	5.3
551.06158	8.1
551.30701	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	551.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.0
60.10638	3.2
66.99345	2.5
69.36875	19.3
71.01380	11.3
75.00899	3.3
81.03468	18.1
85.02957	3.3
89.02468	5.4
98.22430	4.8
99.04530	100.0
99.36680	2.9
101.02453	4.4
113.02458	3.1
113.98734	2.7
119.03606	2.6
125.02502	4.0
134.03767	2.8
143.03503	25.2
147.04358	2.9
179.05708	3.8
179.07149	3.4
193.04968	3.5
323.09875	14.9
367.10440	4.4
389.15936	13.5
521.20428	4.5
533.20618	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	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.2
61.98829	0.5
69.33929	1.5
69.34341	2.7
71.01382	1.8
89.02457	0.8
93.03470	1.8
98.22501	0.9
101.02453	0.8
108.12638	0.6
117.03541	0.7
119.05029	0.8
121.02972	13.3
122.03777	4.2
123.04523	0.6
125.02467	0.6
133.02975	2.5
134.03758	50.3
135.03165	0.6
135.04448	2.4
136.01665	0.9
137.02454	8.8
139.04030	2.4
147.04543	2.1
149.02458	15.7
149.06107	14.8
150.03250	36.5
150.06425	1.2
151.03722	1.4
153.05753	0.6
163.04013	1.1
164.04800	2.4
165.01944	4.0
165.05588	37.5
166.05882	1.4
175.04002	1.6
176.04892	0.7
178.02737	27.3
179.03137	1.3
180.04263	2.1
190.06351	0.8
191.05591	0.9
191.07159	1.0
193.05072	100.0
194.05402	4.4
195.06647	26.4
196.06970	0.7
221.06075	1.6
234.06845	0.6
235.05861	0.8
238.06413	0.7
239.07185	2.1
249.05695	0.7
250.06348	2.3
253.08499	1.2
267.06671	1.5
282.09003	6.9
283.09341	1.2
297.11151	0.8
341.10327	31.7
342.10565	1.8
359.15079	2.8
389.12405	19.7
390.13013	1.2
425.71603	0.6
472.20099	0.7
551.17456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1779
Annotation	Ladroside
Peak:m/z	Relative Intensity
55.15142	1.3
57.81464	1.6
58.64529	1.4
59.01381	6.0
69.52221	5.8
69.52623	3.0
71.01392	5.1
93.03444	3.8
96.35203	1.3
96.96030	10.1
98.95622	7.2
101.02459	3.2
105.03459	2.0
110.17130	1.4
117.03510	3.1
119.05005	3.4
121.02991	4.3
129.03482	1.6
133.03006	4.2
135.04538	8.3
137.02429	3.4
145.02959	8.3
150.03226	1.5
151.04031	43.1
161.02478	12.9
163.04036	19.1
164.04752	1.8
175.04057	2.0
176.04810	6.7
179.03526	100.0
180.04303	49.3
181.05090	42.3
191.07178	2.6
193.03897	1.4
193.05132	16.0
194.05870	20.4
209.08200	33.6
210.08440	1.6
221.04604	2.2
223.06189	3.0
224.07014	1.6
235.05981	1.3
313.09402	2.0
341.09018	2.0
342.09616	94.7
343.10062	5.6
371.11426	5.6
389.12338	5.6
402.00888	1.5
551.17328	3.2
551.66620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1778
Annotation	Foliachinenoside A2
Peak:m/z	Relative Intensity
50.37248	1.0
51.42237	1.1
55.01881	1.8
57.03460	1.2
58.00579	1.7
59.01384	56.1
61.98834	8.4
62.65490	1.2
62.65873	1.0
69.03445	2.1
69.59348	6.5
71.01388	42.6
72.01725	1.2
72.99302	2.6
73.02961	6.6
75.00881	4.5
75.94482	1.2
79.73720	1.1
81.77251	1.3
83.01398	4.6
83.05053	1.7
85.02962	12.4
87.00869	5.3
88.98813	1.4
89.02451	37.9
90.01358	1.2
93.03468	28.8
95.01420	4.5
97.02971	4.6
98.21827	1.6
99.00915	3.7
101.02454	29.6
107.05005	2.3
108.02183	1.3
111.00906	1.6
113.02468	18.0
113.36064	1.2
114.42740	1.2
119.03510	19.5
121.02970	100.0
122.03313	2.9
123.04573	3.8
125.02453	13.9
131.03496	3.4
133.35997	1.1
135.03011	10.2
135.04549	2.0
137.01498	1.1
137.02460	28.1
138.02820	1.1
143.03560	7.2
149.04572	2.0
151.03949	1.5
161.04572	9.4
162.03275	2.5
174.11305	1.1
177.05582	2.4
179.03519	1.5
179.05627	9.0
191.05617	1.8
197.06137	3.2
209.39215	1.5
221.06706	8.9
227.07153	17.0
245.06654	1.2
263.07724	2.8
281.06662	1.8
284.03235	1.6
285.04086	5.7
323.09824	10.8
324.86362	1.1
327.21793	3.3
433.24417	2.3
443.11868	3.5
489.10400	2.9
491.32031	2.3
507.28018	7.9
509.26144	1.7
526.27100	1.2
551.05743	1.8
551.32574	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	5.4
59.01381	5.6
71.01394	3.1
71.25898	1.2
85.02954	19.3
87.00895	7.3
89.02448	3.1
94.82785	1.4
97.21784	1.2
110.97506	1.2
111.00900	3.0
111.81451	1.2
129.01947	15.0
141.01920	1.5
159.03027	4.3
209.06689	100.0
210.07031	3.9
259.04013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	5.5
69.04654	10.1
69.05087	9.3
71.01389	3.6
72.18230	1.9
74.85770	2.3
83.15504	2.1
93.03475	2.3
103.50547	2.0
121.02990	6.7
122.03780	15.4
149.02492	22.4
150.03259	100.0
151.03691	3.1
164.04871	2.7
165.05591	97.5
175.04012	9.0
177.05600	2.2
180.04439	5.1
190.06377	3.2
195.06647	55.3
195.08327	4.3
196.06924	2.9
218.05954	4.6
237.05525	2.9
267.06726	5.7
279.06537	11.6
291.06622	7.0
292.07376	3.3
293.07907	3.9
294.09186	3.8
295.06125	16.0
306.09048	8.5
306.46024	1.9
307.06223	18.1
307.09396	4.0
309.07608	3.2
310.08435	10.9
311.09232	2.7
315.40149	1.9
321.07709	2.4
322.08667	12.6
324.09982	4.3
325.10876	36.9
326.11273	3.7
337.10864	50.4
338.11249	6.3
347.92258	2.3
373.12628	3.2
466.83881	2.5
467.27554	3.0
473.16251	6.5
503.17303	8.9
521.18402	6.6
551.19153	11.1
551.32611	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	551.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
60.93926	1.1
61.98840	2.7
71.01382	1.2
85.02959	1.3
93.03484	5.9
100.92661	1.1
108.02213	1.7
109.02971	1.8
113.02502	1.2
117.67746	0.9
119.05113	2.4
121.02977	9.8
122.03756	14.6
123.04537	2.0
123.18916	1.1
133.02988	1.9
134.03763	1.4
135.04552	1.2
136.01662	2.5
137.02399	1.4
145.02988	1.4
147.04547	5.2
148.01579	1.3
149.02457	38.7
150.03247	100.0
151.03806	3.5
159.97652	1.2
162.03247	2.7
163.04102	2.0
164.04826	7.6
165.05591	91.5
166.05933	3.4
175.04013	31.1
176.04695	3.2
177.05585	4.4
180.04335	7.3
189.05653	1.1
190.06375	7.0
193.05066	1.4
195.04837	2.2
195.06648	40.5
196.06973	1.7
208.03865	2.4
218.05844	4.3
222.05356	13.1
223.03853	1.2
223.05989	2.4
229.15755	1.2
235.04076	1.8
235.07703	4.0
237.05630	2.7
237.09326	1.2
249.05571	2.6
250.06320	1.6
251.07175	3.2
262.06332	1.5
264.07971	2.2
265.05975	1.8
265.08743	8.6
266.05783	1.7
266.09549	2.3
267.06659	7.1
270.08942	1.5
279.06665	15.3
281.08286	2.5
285.04236	1.2
291.06677	7.9
292.07468	4.5
293.08231	18.1
294.05334	3.7
294.08896	5.4
295.06195	17.5
295.09509	1.9
296.06735	6.2
305.08401	1.5
306.08994	3.7
307.06195	20.0
307.09738	4.3
308.06647	3.1
309.07761	9.0
310.08438	14.3
311.09277	3.9
321.07736	1.9
322.08466	11.2
323.09232	6.9
324.10104	7.1
325.10837	25.8
326.11270	3.1
337.10867	40.2
338.11093	3.7
414.11029	1.4
415.11975	5.2
429.13354	6.1
443.11673	7.7
457.13049	3.5
458.13409	6.6
459.14563	7.1
473.16129	50.6
474.17014	5.3
482.46927	1.4
485.16293	7.2
503.17172	83.5
504.17313	11.0
521.18170	12.9
522.18475	2.0
551.19263	27.0
552.19867	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	551.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	59.8
61.98836	100.0
70.63232	8.1
71.01398	27.9
72.99311	5.3
73.47986	3.3
74.99125	3.2
80.31718	4.0
83.01410	4.6
85.02930	8.0
86.65974	3.2
89.02451	38.7
93.03426	4.3
96.96004	4.8
101.02457	17.7
113.02456	19.2
117.35844	4.0
119.03555	20.8
123.04530	9.0
134.03745	9.2
135.04553	9.7
149.06104	10.7
161.04608	8.5
167.03506	22.5
168.87869	3.4
179.05606	7.7
191.03461	8.1
193.05043	7.2
228.37062	3.6
255.00722	3.6
329.08731	13.1
329.12482	54.2
515.13568	4.7
551.11011	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	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88424	1.2
55.01895	1.8
58.00593	4.5
59.01385	98.9
61.98810	1.9
71.01388	70.3
71.26235	1.3
71.26595	1.6
72.99304	6.2
73.02948	3.1
75.00874	1.6
75.05440	1.8
83.01411	2.4
85.02957	12.6
86.48651	1.4
87.00883	6.1
89.02457	100.0
90.02775	1.9
95.01389	4.8
95.61340	1.5
101.01814	3.2
101.02453	43.9
102.02791	1.6
113.01731	2.4
113.02463	25.9
116.59428	1.3
118.60399	1.4
119.03509	50.5
121.03032	1.6
123.04496	1.6
125.02436	2.3
131.03500	4.1
132.59366	1.4
137.02495	1.6
140.82388	1.5
143.03500	5.5
145.02960	2.6
149.04567	4.5
150.03244	1.4
151.04008	5.8
159.04503	2.6
161.02419	1.4
161.04507	6.9
161.60413	1.6
163.04012	3.9
166.03040	1.7
173.06059	4.3
175.04034	5.6
177.05585	2.4
179.03548	5.2
179.05647	17.2
180.04311	5.1
181.05052	4.8
187.03993	4.4
188.04689	1.8
190.06352	3.8
193.05043	3.1
202.06317	2.3
205.05124	6.9
205.08665	2.8
209.73618	1.5
219.06573	2.9
220.07431	7.8
223.27682	1.6
235.09830	4.7
311.09229	9.0
326.11633	5.6
341.10269	2.1
341.14084	4.2
348.21515	1.9
348.89120	1.8
356.12732	1.6
359.11084	3.3
359.15015	6.5
371.15015	45.8
372.15469	2.4
389.12320	11.3
551.21124	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00261	0.6
57.03448	0.6
59.01140	0.6
59.01388	8.9
60.02220	0.5
64.70107	0.5
66.57645	0.5
71.01387	5.0
71.28660	1.3
72.48323	0.5
73.02939	0.8
75.00867	1.3
85.02939	1.9
87.00874	1.2
89.02452	2.2
91.20293	0.5
99.00890	0.9
101.02452	2.3
102.62385	0.5
103.00376	0.9
113.02486	2.1
121.02984	2.7
135.02983	1.0
135.04538	0.6
137.02477	0.8
145.03012	1.4
147.04543	2.0
149.02487	0.6
151.00346	0.6
161.04543	0.7
161.05942	0.6
162.03244	0.7
163.04057	5.4
165.01929	0.8
174.03255	2.3
175.04018	16.4
176.04828	3.4
177.05580	1.8
179.03532	1.2
179.05698	0.7
180.04314	10.0
181.04971	0.6
188.04761	2.7
189.05573	6.7
190.04704	1.3
190.06378	21.2
190.08092	1.2
191.07132	12.6
193.05060	8.4
194.05861	5.0
195.06577	1.2
203.07149	2.2
205.08710	17.5
206.08980	1.1
207.06639	5.3
208.07414	14.4
222.08948	0.8
223.09781	0.9
225.14873	0.9
227.12949	1.5
269.14001	0.7
275.11081	0.6
284.03403	1.0
285.04074	3.0
287.15048	1.8
296.40585	0.7
314.11685	0.8
344.12604	3.4
359.15030	100.0
360.15311	10.7
389.16327	1.1
389.21344	0.7
447.09634	2.9
543.66888	0.6
551.23157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82193	0.8
59.01389	7.2
61.98828	1.3
71.01386	5.8
71.27220	1.0
71.27704	1.4
73.02943	2.0
83.01387	1.1
85.02954	2.3
89.02455	3.2
93.03490	2.3
95.05007	1.1
99.00904	1.0
101.02462	4.0
108.02193	1.7
109.02970	4.5
113.02455	3.0
119.03543	1.0
119.05032	1.0
121.02982	12.1
122.03759	9.0
123.04538	4.5
124.01649	1.5
125.02474	1.6
125.40893	1.0
129.03442	1.0
132.02199	1.5
133.01436	0.9
133.02950	1.2
134.02910	1.0
134.03749	5.9
135.04538	3.8
136.05365	1.2
137.02467	3.5
145.02988	1.3
147.04556	6.5
148.05321	1.0
149.02441	1.5
149.06120	1.7
150.03253	10.2
151.03897	0.9
153.01929	1.6
153.05544	1.0
154.02713	1.9
160.01707	9.4
161.02444	3.0
161.06096	2.8
162.03215	1.4
163.04016	2.0
164.04713	1.2
165.05589	34.2
166.05888	1.7
172.05341	6.9
175.04028	15.9
177.05624	1.6
178.02705	2.9
179.03526	2.5
179.07169	7.9
180.04294	3.3
185.06081	1.1
187.07678	5.9
189.05559	2.6
190.02754	1.9
190.06381	7.4
191.07175	3.3
193.05052	10.5
194.05707	1.9
195.06639	1.9
205.05128	1.4
205.08751	5.5
207.06671	1.3
208.07497	3.4
223.06062	1.5
227.07191	9.2
313.14502	1.1
315.12482	2.0
323.07642	1.8
329.10239	1.5
337.09293	12.5
341.13995	1.3
346.14212	8.2
347.11356	1.9
359.15021	26.4
360.15683	2.0
361.16611	100.0
362.16913	7.6
367.10434	1.3
371.15070	11.5
372.15018	1.3
373.16876	1.1
389.12225	3.0
389.16263	4.1
433.21362	1.1
440.11768	1.0
551.17157	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	551.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24754	1.2
58.00599	4.3
59.01387	100.0
60.01727	1.5
61.98872	1.7
63.44880	1.1
71.01391	69.3
72.99311	4.8
80.86568	1.2
83.01421	1.5
85.02966	9.9
87.00901	5.8
89.02457	93.6
95.01383	2.7
98.21925	5.4
99.00904	1.6
101.02453	37.2
113.02461	26.9
117.03493	1.1
119.03520	41.9
121.02984	2.5
125.02433	1.5
131.03520	3.9
131.05115	1.2
135.04541	1.6
137.02409	1.6
138.03291	1.9
143.03529	7.4
145.02921	2.6
149.04570	3.9
150.03261	1.5
151.04034	5.6
159.04611	1.9
161.04570	4.9
163.04057	5.1
165.05560	1.3
173.06129	3.5
175.04012	6.9
177.05597	3.2
179.03508	2.7
179.05643	15.7
180.04311	5.8
181.05112	4.7
187.04047	6.5
189.05562	2.1
190.06345	3.9
191.07025	1.9
193.05168	1.8
194.05815	1.5
195.06598	2.7
202.06406	2.9
203.07164	1.7
205.05136	6.7
205.08788	2.0
219.06726	2.9
220.07388	7.8
235.09897	5.9
285.03845	1.5
311.09290	9.3
325.10712	1.3
326.11566	3.2
341.10190	2.3
341.13953	3.6
354.77832	1.2
356.12549	2.0
359.11261	1.8
359.15216	4.7
371.15060	41.9
372.15439	3.9
389.12201	11.5
551.21124	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	551.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51555	1.7
57.03448	3.4
59.01386	100.0
59.23497	1.9
61.98825	3.3
71.01390	23.7
71.27673	1.8
72.96246	1.7
72.99306	1.9
73.02942	9.9
75.00883	4.0
83.01386	6.5
85.02974	13.8
87.00888	4.5
89.02464	9.4
94.98089	2.7
95.01404	2.8
96.95976	2.2
98.17845	1.8
99.00915	3.1
101.02460	18.7
113.02451	12.8
119.99461	2.0
121.74326	2.5
133.19168	2.2
135.02997	5.3
143.03584	2.1
151.23840	1.6
161.04558	7.1
174.01674	2.9
191.05582	2.4
227.12930	2.2
285.03986	2.8
301.20209	5.5
382.21854	2.4
409.24991	2.2
433.24606	2.0
447.26147	2.8
465.26956	2.6
489.26965	5.6
491.32208	2.3
507.28177	78.3
508.28473	6.2
551.26855	8.7
552.31488	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	551.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	9.6
61.98832	27.3
62.02049	11.1
69.11816	100.0
82.05860	10.3
90.79391	9.3
92.73678	9.8
93.18808	9.3
96.96033	18.1
98.21822	24.6
217.26727	10.4
271.64890	10.8
279.23389	18.0
305.61343	10.1
551.30017	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	551.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72913	13.1
53.19533	11.4
69.30434	85.3
78.68610	12.3
102.44239	11.0
515.37537	100.0
515.44690	17.1
528.51062	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	552.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98837	10.4
63.02390	1.0
66.39445	0.8
68.99626	8.7
90.71599	0.8
98.21805	1.9
107.01414	1.6
127.22162	0.8
133.02980	3.3
149.02498	2.0
150.03264	1.1
151.00407	4.5
165.05521	1.3
199.04001	2.4
202.33679	0.9
211.04066	1.4
227.03482	1.5
231.13080	1.0
239.03581	1.1
243.02913	0.9
256.03848	3.2
284.03287	62.9
285.04065	93.1
286.04352	6.0
384.60999	0.9
408.77972	1.1
481.38684	0.9
489.10437	100.0
490.10938	11.3
498.69205	1.1
505.19162	1.4
552.11621	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	552.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
61.98836	100.0
69.00717	1.6
71.01392	0.5
76.87805	0.2
80.20736	0.2
89.02470	0.3
101.02466	0.3
285.04001	1.4
301.57056	0.2
333.35843	0.2
401.17215	0.2
416.63809	0.2
425.67566	0.2
489.10526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35276	0.7
61.98837	100.0
70.45226	1.6
70.45576	0.9
84.47414	0.6
90.42050	0.7
95.10478	0.8
96.18438	0.7
96.96016	1.3
97.15160	0.7
109.47067	0.6
114.49819	0.6
181.19391	0.6
196.67387	0.7
203.97574	0.7
212.89891	0.7
231.93875	0.7
255.23387	1.1
517.35150	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0785
Annotation	3''-Desoxydicranolomin
Peak:m/z	Relative Intensity
59.01374	0.9
61.98806	0.8
63.02399	0.9
65.00334	6.8
71.01392	0.4
76.33048	0.3
78.69347	0.3
83.01405	2.6
93.03458	2.0
101.02458	0.3
105.01945	0.6
107.01400	8.5
115.39732	0.5
117.03487	3.4
122.92613	0.3
125.02469	0.9
149.02435	1.2
151.00381	19.2
152.00742	0.6
153.58298	0.3
159.04552	2.5
161.02402	0.4
165.01996	0.7
167.05037	0.7
169.02934	0.4
171.04568	0.4
174.94801	0.3
183.04456	0.9
193.01459	2.6
195.04524	1.1
203.03629	0.7
207.04602	0.6
209.02448	1.1
209.06107	0.4
210.03128	0.4
211.03998	2.5
212.04604	0.4
213.05519	0.7
215.03484	0.7
225.05672	0.4
227.03490	0.3
233.06085	0.4
235.04047	1.3
236.04836	0.4
237.01939	1.0
237.05547	1.4
239.03516	11.3
240.03970	0.6
241.01341	0.8
249.05527	1.1
251.03508	0.7
253.05019	1.1
255.02972	1.2
255.06752	0.6
257.04498	1.7
261.05493	1.0
263.03400	2.3
264.04129	0.4
265.01556	2.0
269.04480	1.1
273.05463	0.5
275.03732	0.4
275.07135	0.5
277.04999	1.8
278.05594	0.5
279.03046	1.0
279.06592	1.2
280.03696	0.4
281.04565	6.0
283.02469	1.9
291.06668	0.7
293.04532	0.8
295.06097	0.4
299.05667	0.5
301.05032	0.8
303.03091	0.5
303.06589	0.6
304.03711	0.5
305.04462	2.4
307.02448	3.4
308.03198	0.4
317.04547	0.7
319.06064	0.8
321.04062	1.2
323.05630	6.0
329.04514	1.0
330.05295	0.5
333.04056	0.5
345.07684	0.5
346.04749	0.5
347.05627	6.8
348.06140	0.5
349.03522	4.5
361.03632	1.9
365.06702	1.1
371.05569	0.5
373.03497	1.3
387.05505	0.5
389.02719	0.7
389.06976	0.8
391.04630	46.9
392.04932	4.5
401.06631	4.2
402.07047	0.5
415.04642	5.3
417.02551	4.7
433.05655	9.1
434.06058	1.1
459.03598	4.6
535.07806	0.4
553.07800	100.0
553.99591	0.7
554.08124	12.5
554.29675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.6
59.01386	19.5
61.98846	2.3
69.39986	16.2
71.01385	29.6
71.47221	2.1
72.99299	2.7
75.00877	19.6
78.36232	2.0
80.82103	2.2
83.01391	7.7
84.09875	2.3
85.02960	17.8
87.00877	5.8
89.02452	9.4
93.03522	2.6
95.01391	5.7
99.00878	20.5
99.04473	3.8
101.02463	7.7
104.26372	2.1
108.02201	2.7
108.61562	2.3
111.00877	4.8
112.21436	2.3
113.02467	22.1
118.41851	2.1
119.03540	3.4
121.02945	3.3
122.03709	3.2
123.04552	4.9
139.00400	2.7
149.02420	3.2
150.03250	3.5
151.03999	3.8
161.04628	2.8
165.05637	4.2
167.70108	2.3
185.11819	3.7
187.06117	2.5
191.05659	4.3
205.07036	3.8
221.06581	2.5
240.04219	2.8
241.05029	2.5
249.06151	6.6
255.06639	8.5
257.17770	3.3
267.07162	8.6
270.08966	8.6
271.09769	4.6
285.20737	4.6
301.10913	3.0
303.21823	75.0
307.06100	2.4
325.10892	9.0
337.10904	12.4
347.17899	2.7
419.22879	2.7
436.14093	2.7
505.18527	3.5
509.20383	3.7
553.20844	4.1
553.28638	100.0
554.29034	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	553.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	41.0
70.88668	0.9
71.01385	2.5
71.24883	1.1
85.02947	3.5
101.02438	1.7
102.27951	1.0
110.00090	2.1
113.02464	2.9
115.04033	1.0
125.02457	2.5
130.08771	1.5
137.02490	1.0
137.99615	4.2
138.03229	1.3
139.00429	2.6
140.01190	1.0
152.01173	3.7
153.01967	85.5
154.02762	5.4
155.03510	2.8
161.04575	6.1
165.14937	0.9
167.03510	13.5
168.04308	54.5
169.05087	16.4
181.05002	1.1
182.17798	1.1
235.44205	1.1
310.80914	1.2
331.10410	100.0
332.10837	5.2
405.67801	1.0
554.94788	1.3
561.28601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99137	1.0
59.01379	2.3
70.39749	2.2
70.40074	1.6
71.01388	2.8
73.49945	1.2
85.02896	1.2
117.03484	1.4
121.02965	1.8
122.03794	1.6
124.01664	1.7
125.02455	1.1
133.02911	1.3
134.03769	8.2
137.02461	3.5
145.03078	1.6
146.03755	19.9
149.02454	1.2
149.06091	15.9
150.02104	1.3
150.03195	6.4
151.04054	15.3
159.04712	1.2
161.02486	2.5
161.06122	8.9
162.03253	33.5
163.04031	6.6
164.04823	11.5
165.05605	5.7
177.05585	10.4
178.02728	4.9
179.03563	29.1
179.07159	92.5
180.04312	90.9
180.07550	3.8
181.04933	4.6
193.05107	11.9
194.05884	9.7
195.06653	100.0
196.07002	5.8
223.06183	1.6
226.94084	1.3
234.99559	1.3
249.07730	9.7
267.08792	2.0
343.11792	8.1
355.11923	4.8
357.12000	3.4
364.07541	1.3
371.65009	1.3
373.12994	4.2
391.13544	11.7
391.17896	4.6
402.36365	1.3
414.45084	1.2
485.46817	1.3
498.92938	1.2
553.23157	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	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91105	0.4
57.03440	0.9
59.01387	9.1
63.98262	0.5
69.03452	0.5
69.27930	3.6
71.01388	3.3
73.02959	2.8
74.70193	0.5
75.00891	1.2
75.43002	0.5
78.95890	0.4
79.05537	0.6
79.95749	0.8
83.01394	3.9
83.05036	0.8
85.02979	1.1
87.00893	1.2
89.02460	0.6
96.96035	5.8
101.02460	2.1
107.03778	0.5
108.02189	27.8
113.02441	1.7
114.93432	0.6
119.03476	0.5
119.08696	0.8
121.06564	0.8
122.06140	3.1
123.04543	12.0
125.02432	0.9
125.06059	1.1
134.03719	0.5
135.08154	0.9
137.09737	2.0
149.09721	0.5
152.01170	63.6
152.07175	5.5
153.01604	2.0
159.08081	0.5
161.09706	2.0
163.07675	4.0
165.05467	0.9
167.03514	100.0
168.03838	3.3
179.10840	1.7
181.08723	5.7
195.10252	1.3
197.11879	3.9
203.10846	0.7
205.08763	0.5
221.11803	0.5
223.09766	6.9
229.08701	1.1
237.10287	0.6
241.10886	5.0
242.11180	0.6
247.09756	1.9
253.09846	0.7
265.10800	2.6
266.07056	1.4
276.66644	0.5
281.09427	4.2
283.11804	1.4
289.10687	1.0
293.09363	1.9
303.21805	1.6
307.11890	1.7
313.12527	0.7
313.90216	0.5
325.12714	2.4
375.59473	0.5
385.15076	7.8
402.18051	0.7
416.43576	0.5
435.25821	0.8
446.17200	3.9
478.19724	3.7
490.16522	0.7
510.22253	0.8
522.18872	5.2
523.20221	0.5
553.19147	8.6
553.28619	5.2
554.20117	1.7
554.29089	0.6
560.01038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.7
60.18744	0.9
61.98830	1.3
63.49233	1.0
65.18838	1.0
70.24187	3.1
71.01376	2.9
74.65617	1.0
89.02473	2.8
101.02484	1.7
103.20601	0.9
119.03482	1.4
119.05019	7.3
121.03001	1.5
129.03481	13.0
130.04271	2.1
134.03795	1.6
135.04547	2.5
137.02457	2.2
138.03172	1.9
145.02971	2.9
146.03758	3.8
147.04543	70.4
148.04845	1.6
149.02425	6.9
149.06120	1.4
150.03235	2.6
151.14641	0.9
161.02518	5.5
162.06844	1.0
163.04033	8.6
164.04807	31.7
165.01956	6.5
165.05588	100.0
166.02773	2.0
166.05920	4.6
176.04831	4.7
178.02716	1.0
179.03577	9.8
179.05771	1.4
179.07144	29.3
180.04185	2.8
180.07425	1.2
181.05124	4.8
191.05620	1.2
191.07205	4.8
192.07455	1.0
193.05046	3.3
193.49869	0.9
194.05853	15.4
195.06641	6.0
207.06682	2.0
209.08217	57.6
210.05408	1.3
210.08569	2.5
211.06134	1.0
219.06631	9.7
225.07672	1.4
245.19043	0.9
327.10913	5.9
333.40732	1.1
343.11862	23.9
344.12201	2.5
355.11914	6.5
361.12747	1.6
373.12949	5.7
376.15390	1.2
391.13101	4.3
391.18204	7.4
402.13043	1.0
425.01196	1.0
449.58243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87212	0.7
59.01388	5.6
61.98834	2.4
69.25443	1.3
69.25830	4.4
71.01386	2.8
72.21630	0.7
75.00854	0.9
85.02958	1.3
89.02461	1.4
93.03448	3.4
95.01411	1.0
98.21764	0.9
101.02497	1.4
108.02209	1.3
109.02966	1.0
113.02441	1.7
116.92865	0.9
121.02978	7.4
122.03759	14.6
133.02953	0.7
134.03749	0.6
135.02995	1.0
135.04549	1.8
136.01674	11.0
137.02530	1.9
139.20273	0.6
147.04558	0.9
149.02455	22.6
150.03244	87.7
151.04033	15.7
160.05377	0.9
161.06075	1.1
164.04816	3.7
165.05588	100.0
166.05954	3.3
172.05324	0.7
175.04045	2.4
177.05530	1.1
180.04309	5.0
189.05592	1.1
190.06416	3.2
195.06647	60.4
196.06967	2.2
267.06699	0.9
299.09238	1.5
327.12314	5.6
343.11783	2.0
357.13483	9.5
435.25754	1.3
475.17538	3.6
505.18729	11.3
506.19000	0.8
511.53973	0.7
553.20111	1.3
553.27417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02261	1.3
54.44355	1.3
59.01385	12.3
59.55224	1.4
61.98835	2.4
70.64925	3.8
71.01380	9.3
73.02946	2.9
85.02950	4.5
85.37093	1.4
89.02462	6.2
93.03461	5.3
99.00899	4.3
101.02460	5.1
105.83331	1.4
108.02192	3.7
109.02976	2.5
111.00856	1.6
113.02483	4.1
121.02972	18.5
122.03776	15.1
123.04516	3.3
131.03558	3.1
133.03011	2.8
134.03757	1.9
135.03012	3.7
135.04529	13.8
136.01682	24.0
137.02478	8.7
146.03720	1.6
147.04497	3.2
149.02469	40.7
149.06061	2.0
150.03242	72.4
151.04041	27.8
160.05304	1.8
161.05981	3.0
162.03239	2.2
163.04033	5.9
164.04810	8.9
165.05591	64.6
172.05322	3.5
173.06113	1.6
175.03989	9.4
176.04788	2.2
177.05576	2.2
178.02809	3.0
179.07317	1.9
180.04343	4.0
189.05579	6.9
190.06398	11.5
191.05592	2.5
191.41788	1.6
193.05032	2.1
195.06638	25.2
217.53877	1.5
225.05547	1.5
238.93094	1.4
255.06778	1.8
271.09714	1.4
279.06741	2.7
284.06650	1.7
285.04471	1.5
285.07678	2.4
299.09351	7.3
303.12436	2.2
310.17691	1.5
311.09058	1.6
325.10822	1.8
327.12564	6.6
343.11981	4.0
357.13449	18.1
421.21625	9.2
421.71875	3.0
475.17505	10.3
487.17581	3.4
505.18738	100.0
506.19153	12.1
523.19659	3.3
553.20667	4.9
553.28552	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	553.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
57.03420	1.7
59.01386	100.0
60.01686	1.2
68.96037	13.7
71.01049	1.1
71.01388	11.3
71.17905	1.3
73.02913	2.3
75.00881	9.1
76.68015	1.2
85.02929	5.9
87.00883	1.7
89.02461	6.9
90.93364	1.3
99.04457	4.1
101.02471	7.4
113.02449	1.6
114.76867	1.4
117.97285	2.2
119.03547	2.0
126.04878	1.2
129.01923	2.9
135.03024	12.4
147.02963	2.7
165.04079	6.8
165.12805	3.1
175.02274	1.4
203.01845	1.5
207.13853	4.6
209.11836	13.6
225.14957	9.9
227.12910	57.6
228.13181	2.0
251.12762	2.0
257.48593	1.2
269.13950	16.5
271.13434	1.4
287.15036	72.2
288.15155	5.4
373.18671	2.0
387.16122	1.7
405.12650	3.0
405.17709	43.4
406.17691	4.6
417.17551	1.6
435.18130	12.5
440.22604	1.6
553.21088	63.1
554.21533	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	553.2146
Annotation	N-Methylheteropsine
Peak:m/z	Relative Intensity
52.73396	1.3
57.03447	4.1
59.01385	98.3
60.01709	1.8
60.12073	1.5
63.29410	1.6
64.82573	1.2
69.10489	3.4
69.10893	7.4
71.01396	6.4
72.99296	3.9
73.02965	2.1
75.00877	19.7
76.32864	1.1
78.91888	2.4
83.01373	2.9
84.95999	1.5
85.02940	6.4
87.00873	2.2
89.02452	4.0
98.22495	2.0
99.00893	3.2
99.04559	2.8
101.02434	3.2
111.00853	2.5
113.02482	1.8
129.01935	4.8
135.03004	9.2
147.03012	10.2
165.04054	13.2
165.12839	2.7
207.13988	2.6
209.11836	10.7
225.14896	9.7
227.10675	3.0
227.12914	50.5
228.13139	3.2
251.12941	3.0
269.14038	14.1
287.11847	3.0
287.15042	56.8
288.15421	3.5
367.21942	1.3
401.03851	1.4
405.17719	16.8
417.17776	4.9
418.17862	2.3
422.88062	1.9
435.12729	2.3
435.18649	48.5
436.18979	3.5
535.20209	5.2
553.21368	100.0
554.22052	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	553.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95984	0.6
57.03479	0.6
59.01385	2.7
69.13326	0.9
69.13721	3.9
71.01376	2.2
74.72189	0.5
76.96313	0.5
78.30967	0.5
80.19066	0.5
81.03464	0.6
83.01396	0.7
85.02949	1.1
89.02459	0.7
99.97508	0.6
101.02440	1.3
102.59896	0.5
108.02148	1.0
109.02966	3.8
113.02486	0.7
117.97293	1.2
121.02972	4.7
122.03790	3.2
123.04506	2.0
124.01690	1.5
125.02435	3.2
127.07480	0.6
133.21483	0.6
134.03781	1.1
135.04547	0.6
136.01707	0.7
137.01476	1.0
137.02467	14.0
138.03255	4.3
139.04039	4.6
146.03777	0.7
147.04539	2.3
148.18799	0.5
149.06084	0.9
150.03235	1.3
151.04030	3.5
152.04803	2.2
161.06102	1.5
162.03235	1.0
162.06740	0.7
163.03992	1.1
164.04807	1.6
165.05591	9.3
166.02684	0.9
166.06012	0.7
170.02251	1.0
173.06140	0.6
175.04001	1.9
175.07640	0.8
176.04962	1.0
177.05614	2.8
178.06255	0.6
179.03572	1.1
179.07121	2.7
180.04265	3.3
181.05109	10.1
184.03703	1.5
189.05531	0.8
191.07178	1.7
193.04974	0.8
194.05873	3.6
195.06651	16.3
206.05803	0.6
207.06621	2.4
208.30602	0.5
209.08284	2.9
237.07518	0.7
253.10727	0.6
257.04834	0.6
298.03735	0.8
313.10886	0.6
331.11862	5.9
332.12167	0.8
337.09073	0.8
338.09741	0.8
339.09988	0.6
345.13300	2.1
361.12891	12.5
362.13214	1.0
376.15277	16.2
377.15717	1.6
391.17667	100.0
392.18076	10.8
416.72629	0.6
486.10406	0.7
550.31433	0.5
553.24768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32049	2.6
59.01388	87.3
61.98838	100.0
68.17525	2.6
69.29739	13.9
69.30145	6.3
71.01391	23.9
72.27668	2.9
72.99298	3.2
73.02952	16.7
80.10090	2.6
83.01419	5.8
84.38758	2.5
85.02977	6.5
87.00869	3.9
89.02473	11.0
93.03465	2.9
101.02462	26.7
113.02466	9.2
119.03516	3.8
123.25241	3.0
130.08794	3.1
135.04575	3.4
143.03505	3.4
149.04597	4.5
161.04570	6.9
179.05580	4.7
191.05692	3.6
195.72333	2.9
288.16724	2.8
447.22266	15.9
450.07239	3.0
542.68134	2.9
555.26636	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	554.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89344	1.1
61.98845	1.3
70.37961	1.2
70.78270	2.9
72.00924	11.7
74.07557	1.3
83.47661	1.1
91.05546	1.3
111.76231	1.3
114.05618	1.4
147.04550	40.0
148.04854	2.3
164.07195	100.0
164.55150	1.1
165.07542	4.3
351.13159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80089	1.0
58.00603	3.0
59.01385	62.5
61.98839	3.7
62.81068	1.1
71.01393	56.3
71.28246	1.5
72.99318	3.5
73.02955	6.3
73.28445	1.0
74.98072	0.9
76.54271	1.0
83.01414	1.3
85.02972	6.1
87.00893	3.9
89.02456	100.0
91.42626	1.0
101.02459	44.5
112.45890	1.0
113.02475	8.8
119.03488	6.0
122.06152	2.4
123.65695	1.1
125.02481	1.4
131.03517	37.1
143.53525	1.0
149.04573	89.9
150.04884	2.1
150.29388	0.9
152.07211	3.5
161.04568	1.6
165.05534	1.2
191.05629	17.4
192.06671	3.6
217.09401	1.0
302.72900	1.1
315.13168	1.0
327.21152	1.0
357.14557	3.4
506.18781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.5
61.98838	100.0
69.27637	2.0
71.01389	0.8
73.02954	0.3
73.91134	0.3
75.99201	0.2
76.52836	0.3
83.01403	0.3
85.02969	0.4
89.59632	0.3
93.52684	0.2
98.22495	0.5
101.02493	0.6
105.01979	0.6
113.02472	0.4
133.28725	0.2
135.03101	0.4
172.41249	0.3
285.04111	0.4
306.96872	0.3
310.95520	0.3
332.80826	0.3
411.70615	0.3
519.32233	0.3
575.33929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76385	1.0
59.01371	3.0
61.98837	100.0
64.88751	1.1
67.48906	1.1
70.03663	3.2
70.04066	2.5
71.01392	1.7
101.02428	1.8
118.07665	1.2
130.85489	1.1
133.44043	1.2
139.79668	1.1
211.13564	2.1
229.14398	6.2
302.68170	1.3
329.23334	2.4
491.28674	23.8
492.29031	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	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98842	5.5
68.10793	0.9
69.72294	4.8
78.95914	22.7
85.25562	0.8
96.96038	1.1
98.56213	1.0
104.56965	0.8
143.25577	0.9
152.99638	1.9
168.04335	3.2
224.06944	8.3
242.08025	2.2
279.23340	100.0
280.23636	6.3
363.15292	1.2
504.31058	67.4
505.31558	4.8
554.31720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
61.98814	2.8
66.76744	0.7
68.97927	5.7
68.98343	2.5
71.20425	0.8
77.61247	0.7
78.95918	6.5
87.95327	0.7
88.98836	0.7
96.96011	1.5
98.32619	0.7
100.34670	0.7
154.88533	1.0
164.59651	0.8
168.04404	1.3
224.06894	1.1
242.08031	3.0
279.23309	100.0
280.23688	7.9
317.39297	0.7
381.69571	0.9
472.77823	0.9
504.31039	25.6
505.31448	3.2
555.30670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86639	0.9
61.98837	100.0
70.02302	1.8
70.02708	3.1
71.01387	2.2
78.95919	2.2
78.98598	1.8
79.95749	2.3
80.96526	21.3
85.02963	1.1
87.00819	1.0
91.82879	1.0
94.98069	5.4
96.96022	4.8
98.22494	1.1
106.98119	0.9
122.97619	1.5
125.02482	1.2
134.97614	1.5
138.59579	0.9
148.99181	1.7
152.98595	2.1
152.99660	1.6
164.98636	4.2
196.89510	2.1
206.99855	1.4
213.31917	1.0
225.00793	6.5
233.86885	0.9
496.62518	1.1
555.28473	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57495	0.5
59.01390	20.5
61.98834	1.9
70.16842	1.1
70.17195	0.8
70.35336	0.4
75.53905	0.5
76.50144	0.5
78.95914	20.5
80.95826	0.4
95.18089	0.5
96.96973	0.7
152.99623	3.8
168.04405	2.7
187.27222	0.5
193.16112	0.6
195.36765	0.5
219.79320	0.5
220.16583	0.5
224.06984	7.9
237.22079	0.5
242.08017	2.1
255.23340	100.0
256.23740	6.6
480.31039	50.0
481.31290	4.2
487.34256	1.3
555.32947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98837	1.6
71.01398	6.6
73.02961	3.3
74.51028	1.5
75.00877	5.1
85.02971	3.7
89.02471	3.4
90.54426	1.7
94.94237	1.6
98.22162	10.3
101.02480	3.5
103.00396	7.1
103.01512	73.9
113.02449	2.0
119.03529	2.6
134.03764	2.7
135.99196	1.7
141.01712	4.2
149.02505	2.2
165.05583	2.9
191.05789	2.2
193.05067	2.3
195.06631	2.5
223.06151	2.3
231.77626	1.7
285.04013	2.2
309.07825	3.4
327.12357	4.8
330.90320	1.7
339.12442	4.4
356.31619	1.7
375.20206	6.0
469.19534	2.7
496.31296	1.8
538.74438	1.7
555.27057	2.0
555.34894	4.5
556.33569	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	555.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	22.5
60.99310	14.2
61.98829	10.6
65.00331	2.6
71.01388	10.7
71.27786	3.4
73.02955	3.9
83.01384	4.0
85.02956	2.7
88.98818	100.0
89.02469	3.1
101.02444	6.8
105.01926	6.0
107.01415	2.1
110.21704	1.8
113.02451	5.4
123.89178	1.9
134.80721	1.8
148.90982	3.3
151.00377	4.0
161.04584	1.9
239.03479	3.4
241.04135	2.4
349.06598	2.3
391.04706	5.4
392.05038	8.7
393.05328	11.1
418.87753	2.1
419.03311	2.2
435.06219	4.4
461.03909	2.3
555.08472	44.0
555.25519	2.6
556.08459	3.0
577.60004	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	555.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03459	3.0
59.01388	28.8
69.02802	1.4
69.03207	9.2
70.20343	1.0
71.01385	9.6
73.02950	3.3
79.05525	1.2
83.01402	4.3
83.05041	3.0
85.02967	4.8
87.00867	5.3
89.02451	1.2
98.22620	1.9
99.00919	1.7
99.04505	1.9
101.02470	5.8
107.05018	1.1
110.00076	1.4
111.00909	6.7
113.02480	3.5
116.92868	1.5
119.08688	2.4
121.06615	2.1
122.06135	2.6
123.00851	1.2
125.02462	1.4
125.06057	1.1
126.09473	1.2
133.10231	2.1
135.04469	1.3
135.08195	4.8
135.11836	2.2
137.09743	18.7
139.00388	80.3
140.01181	10.1
141.05611	1.5
152.07230	2.8
153.01959	8.1
153.07527	1.6
153.09326	1.3
154.02739	76.9
155.03523	13.3
161.04613	4.7
161.09711	6.8
163.07678	19.2
164.08003	1.4
168.04338	2.5
169.05080	82.3
170.05403	2.5
174.57108	1.0
178.22328	1.1
179.10786	8.0
181.08736	23.2
182.09192	1.0
197.11870	3.9
203.10788	1.6
219.10645	1.2
223.09796	14.9
223.11839	1.8
241.10925	4.0
243.54605	1.2
247.09846	1.4
265.11026	2.1
281.09241	2.0
282.09824	2.8
294.09952	1.9
325.12875	1.5
331.10318	1.8
385.14783	2.6
447.17581	2.1
523.19128	3.4
537.19757	4.7
555.20923	100.0
556.21246	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	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04928	0.9
54.44674	0.9
55.01872	1.0
56.81892	0.9
57.03448	2.2
59.01385	21.8
61.98847	1.5
69.14720	6.9
71.01390	8.9
73.02953	3.2
83.01390	4.8
83.05016	1.7
85.02959	4.6
87.00889	3.3
89.02470	1.2
97.02943	1.0
98.21799	2.0
99.04538	1.5
101.02460	4.1
111.00914	4.0
113.02448	4.4
116.92876	2.0
119.08614	1.2
121.06644	1.7
122.06112	2.2
125.02441	1.3
125.06133	0.9
133.10213	1.1
135.08205	4.6
135.11824	1.0
136.08467	1.0
137.09749	19.3
139.00391	74.3
140.01222	8.2
143.03378	0.9
152.07195	4.3
153.01953	9.6
153.07504	1.8
154.02740	63.9
155.03529	13.6
161.04601	3.9
161.09732	6.5
163.07668	18.1
168.04356	1.3
169.05080	78.2
170.05444	2.8
173.06200	0.9
179.10776	9.1
181.08737	18.9
197.11870	4.1
205.08742	1.0
223.09784	10.7
238.10707	1.2
241.10866	3.1
265.10922	1.9
266.06946	1.3
281.09406	2.0
282.09747	2.8
293.09308	1.1
294.09695	2.1
311.45020	0.9
325.13010	1.7
385.14984	1.5
447.17517	4.7
479.20071	1.5
491.16632	1.5
504.96765	1.1
523.19128	3.5
537.19720	4.2
555.20923	100.0
556.21191	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	555.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
59.99763	0.6
69.69238	2.1
69.69643	1.1
71.01373	1.5
77.53678	0.6
78.95904	1.7
96.96037	2.6
96.96973	1.8
97.16850	0.7
104.24868	0.6
108.02187	0.8
114.93404	1.7
121.02979	7.0
122.03765	7.9
123.00925	0.8
124.01709	0.9
130.52939	0.6
131.00093	0.6
134.03795	0.8
135.04568	5.1
137.02469	2.2
137.17035	0.7
149.02477	9.7
153.05588	1.2
154.02792	0.7
161.02483	7.0
163.04082	1.0
164.03479	1.4
164.04820	21.7
164.06190	1.1
165.01941	5.6
165.05611	12.3
166.06380	13.1
167.07164	100.0
168.07472	3.4
176.04820	9.2
177.01974	1.1
179.03580	9.2
179.07162	32.2
180.04291	2.9
180.07468	1.4
182.02307	0.8
191.07162	7.2
192.04309	1.6
193.05055	0.6
193.08778	1.6
194.05862	14.6
195.06601	2.8
197.04597	1.0
207.06625	2.0
209.08215	61.3
210.08568	2.5
221.08203	10.1
225.07674	1.6
239.09346	1.1
259.01334	2.2
283.56177	0.6
290.74258	0.7
329.12369	1.5
345.13452	24.2
346.13693	2.0
357.13504	5.1
375.14447	5.6
393.15753	6.2
394.16217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01009	1.1
59.01392	13.6
61.98827	2.4
62.62581	1.2
69.66202	1.2
69.67283	1.1
71.01374	6.6
73.02943	1.3
73.92525	1.2
76.41467	1.1
83.01360	2.4
85.02973	2.5
87.00893	1.2
89.02447	3.6
91.81361	1.3
93.03476	4.5
95.82140	1.4
96.96022	15.2
99.00909	1.5
99.92586	3.5
100.93925	1.1
101.02493	3.4
107.39568	1.2
113.02467	2.3
115.92094	8.3
116.92883	25.0
119.03527	1.7
121.02989	6.3
122.03749	15.2
123.04519	1.2
133.02959	3.7
134.03761	1.2
135.03044	1.3
136.01741	1.5
147.04559	4.6
149.02470	25.4
150.03250	96.0
151.03694	4.9
154.99898	3.3
158.03769	1.9
159.04532	3.6
160.05296	9.4
161.06090	3.8
163.04024	2.1
164.04758	6.7
165.05586	100.0
166.05981	5.0
173.06078	2.0
175.07716	8.0
176.04935	1.6
177.05634	3.5
178.06403	2.3
180.04332	6.1
181.04924	1.6
193.05156	1.4
195.06647	73.3
196.07033	3.7
213.46857	1.4
285.04129	1.5
300.55310	1.2
315.12411	2.2
329.13959	28.7
330.14529	2.4
423.68179	1.4
447.18234	1.4
477.19199	26.5
478.19611	2.9
507.20059	4.5
525.21338	5.2
555.12042	3.6
555.28369	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	555.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
65.81232	0.7
67.60384	0.8
71.26849	0.8
75.64268	0.8
78.95900	0.9
93.03495	2.8
96.96041	1.4
105.03488	1.2
108.02139	1.4
109.03034	0.9
109.92297	0.9
116.92882	2.2
121.02969	6.9
122.03749	8.4
123.00931	1.6
123.04525	3.1
124.01695	1.0
131.05080	0.9
132.02179	1.8
133.02968	8.8
134.03740	2.1
135.04549	2.2
137.02463	1.3
145.02931	1.2
146.03746	1.6
147.04555	15.4
148.05312	2.6
149.02455	22.1
149.06143	5.0
150.03247	61.3
151.03825	2.5
153.01910	4.1
154.02762	1.3
158.03735	4.2
159.02388	0.8
159.04517	5.2
160.05325	14.1
161.06100	7.9
162.06885	0.9
163.04059	2.9
164.04799	11.2
165.05591	48.5
166.05971	1.1
167.03534	0.8
168.04309	3.5
169.05008	1.1
173.06084	3.6
175.04037	2.0
175.07668	14.1
176.04793	4.8
177.05605	9.2
178.06358	2.8
179.07077	0.9
180.04326	3.0
191.07118	1.3
195.06642	22.4
210.05627	0.8
270.09048	3.3
285.11462	2.0
296.10284	0.9
297.11200	1.0
315.12384	2.6
329.13971	33.2
330.14410	2.4
382.97800	0.9
393.15906	1.1
432.16040	1.7
447.18179	5.3
459.18280	2.6
477.19244	100.0
478.19482	11.9
489.19122	3.0
507.20160	2.1
525.21411	9.7
526.21539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.23
Annotation	Urabaine
Peak:m/z	Relative Intensity
55.01880	2.4
57.03446	3.6
58.00602	4.5
59.01387	97.8
61.98826	1.2
65.34018	0.9
69.03454	1.1
71.01391	87.2
71.27043	0.9
71.27417	1.3
72.01705	1.1
72.99329	5.4
73.02958	15.5
75.00832	0.9
81.03477	1.1
83.01389	7.4
85.02959	23.8
86.00100	2.5
87.00894	13.5
88.98846	0.8
89.02455	100.0
90.02793	1.1
95.01394	4.4
97.02968	4.1
98.21894	0.9
99.00906	3.5
101.02458	57.8
102.02780	0.9
105.83783	0.8
111.00893	1.1
112.03995	0.8
113.02467	25.4
119.03519	18.1
125.02467	10.6
129.01973	1.6
131.03525	45.8
135.02988	2.1
143.03534	4.7
149.04575	61.6
150.04872	1.4
159.02980	2.3
161.04575	15.0
162.04939	1.4
166.54912	0.8
179.05638	28.9
180.05986	0.9
191.05634	25.3
221.06686	20.0
238.19527	1.0
251.07779	1.2
253.04710	1.0
261.13480	1.4
263.07721	3.0
271.05801	1.5
319.21332	3.7
393.17691	43.9
394.17978	3.1
423.18713	4.8
461.60992	0.8
495.24280	1.1
513.25653	1.4
555.23004	53.9
556.23486	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70467	4.8
59.01384	100.0
61.98832	28.1
69.66643	21.1
71.01389	68.6
72.99323	8.2
73.02951	14.1
75.71963	4.9
78.71867	4.2
83.01420	6.5
85.02978	24.6
87.00899	11.6
89.02460	97.3
89.02969	8.6
92.49821	5.0
94.19248	4.5
96.96017	11.4
101.02457	57.6
113.02473	19.4
119.03484	7.7
131.03535	54.8
143.03651	5.8
149.04565	65.5
191.05663	29.6
307.75571	5.5
332.14581	5.4
466.05359	5.7
555.30255	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	555.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63808	50.2
65.33896	45.3
89.04075	50.5
115.92109	100.0
116.96795	48.4
122.35033	54.6
134.47853	55.5
188.85478	53.1
555.28204	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37249	12.0
70.51392	37.5
73.04139	13.2
94.64424	14.7
96.88200	12.5
99.92622	32.8
100.79898	15.9
101.32388	12.6
115.92119	98.4
116.92879	50.0
183.22224	10.7
206.38715	13.2
210.37650	13.7
255.23659	13.3
555.28088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.285
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01371	0.7
63.96234	1.3
69.26483	4.0
71.01389	7.2
72.99317	0.5
73.02943	1.7
73.37547	0.6
78.98600	7.1
79.95745	10.9
80.96527	72.0
84.24121	0.5
85.02959	3.1
87.00891	2.2
94.98098	15.6
96.96018	1.2
97.02941	1.3
99.00903	0.8
101.02462	2.2
106.98089	3.3
112.35710	0.5
122.97587	2.9
125.02467	1.8
127.81684	0.5
134.97604	4.9
136.99139	1.1
148.99152	6.2
152.98668	5.0
164.98659	10.6
206.99722	1.6
225.00771	12.9
232.96532	0.6
255.23318	1.8
299.04449	2.7
382.69592	0.7
555.28485	100.0
556.28827	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	555.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98833	1.1
68.99636	12.1
71.01382	5.0
71.48151	1.3
75.00878	2.5
80.91642	1.4
85.02969	2.4
89.02444	2.5
91.26615	1.5
101.02464	2.6
103.00488	7.3
103.01503	79.0
108.02186	1.3
112.65834	1.2
113.02478	3.1
119.13379	1.1
130.08722	1.5
134.03754	3.9
138.03265	1.7
141.01668	3.5
146.08253	1.7
149.02483	2.0
150.03224	2.2
165.05598	3.6
178.02780	1.9
191.05685	1.8
193.05110	4.5
195.06717	1.8
223.06146	1.7
224.06477	2.0
309.07587	1.8
327.12430	4.7
339.12451	3.8
375.20200	4.4
480.03854	1.2
527.76013	1.3
555.26752	1.7
555.35291	1.6
570.81134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70933	2.0
58.00579	3.1
59.01384	62.5
61.86917	1.9
71.01389	54.8
72.99339	2.8
73.02972	6.1
85.02966	6.8
87.00903	5.6
89.02456	100.0
98.21757	4.9
101.02464	42.5
108.53728	2.4
113.02489	11.9
119.03500	5.8
131.03523	32.1
149.03383	5.4
149.04568	92.2
191.05649	20.2
199.04741	2.3
229.12968	2.3
463.61456	2.3
506.33453	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	556.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61893	0.9
59.01377	2.1
61.98846	4.7
62.82802	0.9
63.44450	0.9
69.00471	5.4
69.00890	3.2
71.01385	3.2
78.95910	0.9
88.83002	0.9
89.02430	1.4
101.02463	2.9
113.02386	1.0
161.04597	1.0
224.08560	0.9
235.08295	1.6
253.09312	18.8
277.21753	100.0
278.22202	7.8
279.23312	13.1
280.23529	1.1
471.34924	4.8
472.35303	1.1
485.83334	1.1
504.30759	3.5
556.32697	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	556.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36486	1.3
50.73428	1.2
53.59322	1.0
59.01384	4.2
60.04811	1.1
70.32310	3.1
71.01387	2.7
73.02931	1.1
74.31237	1.0
83.63034	1.0
89.02438	2.6
93.43095	1.0
101.02457	3.3
103.01508	1.1
113.02489	1.9
122.87930	1.3
161.04536	1.1
179.71373	1.2
253.09349	13.1
277.21759	100.0
278.22113	6.5
313.95117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.37292	1.1
57.03451	3.5
58.00599	4.7
59.01387	100.0
61.98822	1.1
63.81230	0.9
64.50480	1.0
67.01888	1.1
69.03473	1.8
71.01392	82.2
71.27644	1.1
72.99321	5.6
73.02956	6.4
75.00872	1.3
77.47839	0.8
83.01398	5.5
85.02966	20.9
85.38267	0.8
87.00896	5.3
89.02457	61.3
89.03979	11.4
90.02759	1.0
93.03468	0.9
94.89852	0.9
95.01393	7.3
97.02988	1.4
99.00913	3.0
101.02456	34.7
101.03129	1.7
107.05062	8.4
111.00918	1.8
112.01692	1.2
113.02460	29.0
119.03513	23.6
121.06686	1.2
124.01624	1.0
124.78415	1.1
125.02479	1.8
125.06106	8.1
131.03561	1.7
143.03482	4.4
149.04611	1.4
149.06100	1.3
159.08191	1.1
161.04561	3.5
165.05815	1.0
166.56985	0.9
179.05647	5.1
215.10764	9.1
233.11787	6.1
288.78015	1.0
305.12460	84.9
306.12741	4.8
314.69751	1.2
377.16034	14.1
378.16751	1.3
395.17020	4.6
538.54626	1.0
573.50055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31254	2.2
59.01386	100.0
61.98818	2.3
69.17210	13.7
71.01399	4.9
98.21800	3.7
103.46478	1.8
123.11680	2.2
135.02979	4.0
188.38940	2.2
223.44511	2.0
285.04239	2.7
464.45410	1.9
557.33020	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	557.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.9
56.16846	1.9
57.03455	3.4
58.00591	5.7
59.01384	99.7
61.98831	4.4
64.81343	1.7
65.03950	5.0
69.03459	2.8
69.17462	14.9
71.01391	74.8
72.99304	6.0
73.02947	6.0
82.67181	1.8
83.01387	6.6
85.02966	20.4
85.50182	1.6
87.00878	6.6
89.02454	68.5
90.83075	1.8
91.05560	20.5
93.03454	3.7
95.01414	5.8
95.05059	4.3
101.02457	41.5
101.03925	10.3
113.02464	28.5
115.05527	3.3
117.03487	9.4
119.03575	29.7
119.05042	100.0
121.06673	2.0
131.03514	4.4
133.06589	9.7
137.06152	2.4
143.03519	6.2
147.04515	2.6
161.04541	6.6
165.05562	5.8
179.05634	8.8
191.05576	3.3
197.09685	8.7
215.10718	3.9
263.11252	2.9
266.34686	2.2
330.27756	2.0
377.16092	5.4
395.16971	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	557.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59137	2.5
55.01885	5.2
57.03455	6.2
58.00599	5.8
59.01388	100.0
61.98839	9.2
65.29557	2.8
67.01907	5.1
69.03465	8.6
71.01395	90.7
71.58817	2.6
72.99311	5.0
73.02971	15.4
73.03330	2.8
77.03995	3.6
77.40917	2.8
81.03478	4.4
83.01405	8.0
85.02962	33.9
87.00900	4.4
89.02457	57.1
93.03477	6.7
95.01417	8.6
95.05035	5.7
98.21741	6.9
99.00891	5.8
101.02456	52.1
105.03474	67.9
107.05046	34.1
111.00913	3.7
113.02473	41.4
119.03532	20.6
119.05054	9.8
119.16103	2.6
125.02453	17.6
126.25307	2.4
129.05548	2.6
131.03595	3.5
131.53452	2.5
143.03468	5.2
149.04626	4.6
149.09752	14.4
157.69957	2.7
159.03026	3.2
161.04558	13.4
165.11183	2.7
179.05598	3.7
191.05598	4.7
215.10823	3.7
229.20816	3.5
233.11845	9.3
289.12851	14.6
377.15866	17.2
385.49084	2.8
395.17004	42.8
406.91370	3.2
452.36972	3.0
474.52057	2.8
557.25824	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	557.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91166	1.3
55.01866	3.9
57.03435	4.4
58.00583	4.5
59.01385	98.7
60.11885	1.3
61.98829	3.4
68.86097	1.3
68.99831	2.0
69.03447	2.6
71.01389	100.0
72.99311	9.2
73.02950	8.7
83.01398	10.3
85.02956	30.4
87.00866	7.4
89.02451	72.3
89.03970	10.4
93.03452	2.1
95.01382	6.9
97.02939	2.0
99.00883	4.9
101.02457	55.2
103.20893	1.4
107.05046	8.8
109.02948	1.7
112.01705	2.1
113.02461	32.8
116.92863	2.0
119.03513	28.1
119.04933	1.7
123.08138	1.5
124.01691	1.7
125.02467	4.2
125.06115	7.6
131.03519	4.2
143.03499	4.9
147.04607	2.6
149.04582	2.7
149.06100	2.6
150.03181	2.0
155.81067	1.4
159.04477	1.8
161.04590	6.0
165.05542	4.2
178.58823	1.6
179.03378	1.7
179.05618	8.2
191.05589	1.9
197.09787	2.6
203.08296	1.7
215.10744	8.8
223.06134	1.9
233.11781	7.2
263.15021	5.8
305.12448	81.9
306.12833	4.0
315.97192	1.7
377.16049	13.8
395.19562	20.4
557.24365	14.6
557.31573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00696	0.8
56.63037	0.7
59.01385	5.1
64.05854	0.8
71.01388	5.5
73.02925	0.7
83.01367	0.7
85.02963	2.6
89.02459	3.5
89.03987	0.9
93.03465	5.8
95.01409	1.6
95.05021	1.3
98.22585	1.4
101.02451	2.3
108.02195	2.5
109.02952	5.7
111.04597	0.8
113.02467	5.6
116.92867	1.8
121.02974	20.9
122.03761	17.6
123.04524	3.3
124.01675	1.1
129.03464	1.9
132.02187	3.3
133.02985	14.1
134.03758	10.0
135.04535	1.9
136.01683	1.7
136.05287	1.2
137.02443	2.3
137.06024	1.3
139.00395	0.8
145.02959	7.7
146.03722	2.9
147.04546	11.3
149.02467	27.8
149.06094	14.3
150.03244	69.0
151.03845	2.4
153.01941	1.9
154.02817	3.7
161.02463	1.6
161.04666	1.8
161.06102	6.0
162.03264	3.3
163.04015	1.0
164.04829	6.6
165.05588	73.8
166.05971	2.2
169.05057	1.1
175.07594	1.2
177.05589	3.4
179.05728	1.0
179.07162	8.9
180.04279	2.8
192.97224	0.8
195.06636	21.5
209.08057	1.4
229.27490	1.1
283.10022	0.9
285.04340	0.9
297.11368	1.7
299.12833	1.0
313.10974	0.9
315.12378	1.9
327.11853	0.9
329.14084	3.7
346.14188	6.1
347.14978	11.1
348.15558	0.9
361.16605	55.9
362.16846	3.7
375.18063	1.0
404.09488	0.8
415.17554	8.3
416.17633	1.3
451.17178	1.3
451.87994	0.9
463.17316	1.2
509.21854	100.0
510.22229	11.5
521.21924	8.0
539.22827	4.5
540.23315	1.5
557.23438	4.8
558.23779	1.5
560.98956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2606
Annotation	3beta-Hydroxysolanascone beta-sophoroside
Peak:m/z	Relative Intensity
55.01881	5.3
57.03456	4.4
58.00587	1.4
59.01389	39.8
60.01736	1.0
61.35324	0.9
61.98827	3.0
68.97729	2.4
68.98149	7.7
69.03474	2.5
71.01392	100.0
72.01711	1.3
72.99309	3.9
73.02955	27.9
75.00911	0.9
81.03471	1.2
83.01398	12.4
84.95103	1.0
85.02964	39.5
86.11668	0.9
87.00896	4.8
89.01896	1.0
89.02457	28.6
95.01398	6.7
97.02971	5.3
99.00898	11.3
101.02459	78.7
102.02849	1.4
111.00903	3.1
113.02470	43.0
115.04058	1.5
116.92866	2.6
119.03532	13.1
121.02940	0.9
125.02460	7.7
129.01962	1.6
131.03532	2.8
132.85754	0.9
134.78978	0.9
143.03528	8.9
149.04544	1.1
159.03030	5.7
161.04584	65.4
162.04860	1.4
167.03430	1.2
179.05627	7.9
191.05635	1.0
205.03439	1.2
221.06706	3.8
233.15401	1.0
245.06744	3.2
263.07822	6.3
285.04282	1.1
323.09933	7.1
395.20801	35.6
396.21112	2.9
464.37454	1.1
550.10779	0.9
557.26099	68.8
558.26697	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92349	1.9
51.74139	1.9
52.19738	2.1
61.98815	2.5
62.98536	2.1
90.94924	2.1
99.92588	24.2
115.92117	11.0
116.92879	47.7
117.92919	3.0
142.94423	2.6
166.41957	2.3
171.94743	7.0
301.94281	2.5
412.29285	2.7
557.29462	100.0
558.29730	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	557.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.3
60.79338	0.3
61.98838	100.0
63.86985	0.2
70.30422	0.4
70.30761	0.4
77.90440	0.2
78.95909	1.7
79.90835	0.2
87.05257	0.2
88.83627	0.3
102.64851	0.3
103.01511	0.3
136.15642	0.2
138.01775	0.2
167.01144	0.4
169.02333	0.3
175.88892	0.2
190.80653	0.3
213.97211	0.3
255.23259	1.5
256.23727	0.4
296.89511	0.3
386.18735	0.3
480.31177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.9
60.63531	1.6
61.98839	3.0
69.01709	12.3
69.02111	2.1
69.85048	1.5
71.01369	1.7
71.10908	1.2
78.95901	2.8
85.05817	1.3
89.02438	2.5
101.02438	3.1
161.04620	1.8
167.01260	1.6
187.05687	1.6
226.10776	1.8
243.94000	1.5
253.09315	12.2
279.23325	100.0
280.23770	7.8
292.06781	1.6
307.39267	1.5
484.15298	4.0
559.32709	2.9
575.16193	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	558.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98820	3.4
69.01622	19.5
71.01365	2.0
89.02460	3.6
91.18545	2.2
101.02448	2.2
163.46864	1.7
164.19435	1.9
190.36772	1.8
253.09335	13.4
279.23340	100.0
280.23691	9.9
387.76251	1.8
394.11646	2.1
466.34464	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	558.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97687	30.8
69.66222	33.2
71.29962	56.9
72.10951	34.0
271.92825	38.2
295.21472	39.5
515.37360	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	559.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45248	2.2
59.01393	2.0
72.66615	2.2
79.99997	2.1
84.51640	2.0
98.22633	4.7
117.76220	1.9
119.05069	5.4
129.03488	9.5
134.03775	21.3
135.04568	4.2
146.03743	18.5
147.04538	54.9
149.06116	36.6
161.06110	9.7
163.04028	28.2
164.04805	27.7
165.05595	100.0
179.07155	75.9
180.07529	2.4
219.06635	10.9
220.07153	2.2
237.07939	3.8
240.06323	2.0
313.10870	50.2
314.11176	4.0
325.10873	7.7
327.10849	18.4
343.11923	29.6
356.02090	2.6
361.12979	58.4
361.17413	3.9
362.13290	5.0
387.21774	2.3
559.16022	2.3
569.36072	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.4
59.01387	26.4
68.96789	1.7
68.97092	17.3
69.03450	3.0
71.01390	34.2
72.99325	2.7
73.02950	17.9
74.13589	1.4
75.00871	3.0
78.29575	1.5
83.01385	3.5
85.02958	53.0
86.00096	1.8
87.00886	10.7
87.04544	3.7
89.02450	22.9
95.01428	1.7
97.02979	3.8
99.00891	7.5
99.04530	2.8
101.02453	16.2
113.02454	40.2
115.04025	6.2
117.00469	1.8
124.44057	1.4
125.02470	2.4
127.04023	3.2
129.01939	2.6
130.08748	5.0
131.03513	56.6
143.03520	15.2
145.05098	12.2
149.04579	8.5
173.04509	3.2
191.05606	4.0
198.99339	1.9
205.07166	6.8
217.00450	1.9
242.33258	1.5
263.07809	8.2
274.06076	2.2
276.99045	1.7
281.08801	5.3
290.97186	6.6
323.09869	4.1
337.11212	8.3
347.10092	3.5
349.11133	2.3
367.12671	4.3
400.97040	2.9
409.13553	17.6
415.01166	1.7
416.00977	2.0
469.15637	100.0
470.15976	5.6
541.17719	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	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.8
57.03445	1.4
58.00603	1.1
59.01386	15.9
69.01056	6.8
71.01390	16.5
72.99295	0.9
73.02946	3.8
81.34873	0.7
83.01387	2.8
85.02956	5.8
85.47589	0.7
87.00883	5.7
87.04518	0.8
89.02458	9.0
95.01390	1.0
98.22589	0.9
99.00871	1.4
101.02457	14.3
110.65780	0.7
111.00900	1.3
113.02458	7.1
113.06059	1.0
119.03515	3.8
129.01970	0.8
134.03812	1.1
147.04556	2.5
149.02451	1.2
149.06071	2.1
153.41528	0.7
161.04576	1.5
163.04012	1.8
164.04836	3.6
165.05579	6.6
166.05991	0.7
176.33495	0.6
178.38416	0.6
179.05605	1.7
179.07181	3.1
181.08730	0.7
181.84314	0.6
186.07837	0.7
190.02792	1.0
192.74086	0.6
193.05190	1.1
199.09586	0.7
205.05084	2.2
206.78365	0.6
208.03851	0.8
223.06238	3.0
257.15512	3.3
261.11407	1.5
266.14151	0.6
273.18677	2.6
291.19666	2.4
309.20737	3.7
313.10834	1.9
317.17520	3.8
335.18649	4.9
343.11618	0.8
361.12848	1.5
361.16830	1.1
497.23914	9.3
515.25208	2.1
523.22229	1.0
540.37445	0.7
541.22772	7.9
559.23987	100.0
560.24390	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	559.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.6
57.03456	2.0
58.00596	1.9
59.01092	2.2
59.01385	43.1
63.25795	1.0
65.03960	5.4
68.95956	11.1
69.03472	2.0
71.01388	42.6
72.99310	3.6
73.02949	8.0
75.00877	1.8
83.01395	4.6
85.02962	12.2
87.00860	5.4
89.02457	29.3
91.05540	16.5
92.05855	1.1
92.07137	0.9
93.03490	3.6
95.01400	2.5
95.05050	4.2
97.02951	1.2
97.28247	1.0
99.00907	3.3
101.02457	26.9
101.03964	4.8
111.00896	1.4
113.02463	19.9
115.00374	0.9
117.03471	6.6
119.03540	10.8
119.05040	100.0
120.05377	3.3
120.85147	1.0
121.06625	1.8
123.04535	1.2
125.02405	1.2
129.09181	1.0
131.03488	1.2
133.06683	1.0
134.03748	1.1
135.02991	2.2
137.06137	1.3
143.03517	1.9
150.03329	1.2
152.01186	1.6
154.99890	1.1
159.03059	1.7
161.04631	6.5
165.05487	1.1
167.03580	1.4
174.01793	1.2
179.05646	3.2
191.05690	1.3
193.05072	3.0
194.01495	1.1
209.08121	1.6
212.93956	1.1
217.12309	2.3
218.72269	0.9
258.22659	1.1
267.68359	0.9
277.12915	9.5
301.68533	1.1
309.55139	0.9
379.17700	11.6
397.18750	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	559.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.03444	5.1
58.00587	3.4
59.01385	100.0
60.01734	1.4
62.24651	1.3
67.01900	1.2
69.03459	1.2
70.19106	1.2
71.01390	94.2
71.39880	1.2
71.71461	1.1
72.01718	1.4
72.99317	6.3
73.02953	13.1
83.01399	8.9
85.02962	27.3
87.00891	6.8
89.02456	80.7
93.03467	1.7
95.01397	6.9
95.05050	10.9
97.02938	1.8
98.21661	2.3
98.97449	1.2
99.00916	5.7
100.15228	1.2
101.02456	49.3
102.02781	1.3
102.81849	1.3
105.01981	1.4
105.03483	8.5
107.05041	3.8
111.00858	1.7
113.02466	35.0
114.02798	1.4
115.00407	1.3
119.03525	33.3
119.04945	1.5
121.06633	2.9
125.02463	1.8
129.01924	1.8
131.03516	3.8
134.03737	1.7
143.03520	7.0
149.04602	3.0
154.99867	3.4
159.03020	2.8
161.04579	18.6
179.05627	17.6
193.05144	2.6
217.12358	5.8
227.12636	1.4
229.21878	1.5
230.47025	1.7
235.13449	2.2
275.11398	3.0
291.14648	2.6
379.17712	9.3
397.18893	7.8
423.96445	1.4
517.07037	1.4
559.25732	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09171	3.7
61.98835	8.9
68.97295	4.4
68.97615	43.5
78.95915	35.4
84.28311	3.6
90.82637	3.8
98.21814	8.9
152.99585	3.9
154.53532	4.0
187.86662	3.9
197.08560	3.9
224.06967	11.1
260.19055	3.9
277.21732	100.0
278.22107	5.8
293.13391	4.0
474.26715	4.5
502.29434	68.7
502.36139	6.3
503.30054	5.6
559.87488	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	559.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.3
61.98828	1.9
67.73541	1.0
68.98590	4.0
68.99024	4.6
72.05196	0.8
78.95919	8.0
79.35168	0.7
81.60248	0.8
82.49741	0.8
86.17140	0.8
104.80797	0.8
127.34324	0.8
152.99609	3.9
166.18307	0.8
168.04242	1.3
172.10181	0.9
220.95384	0.8
242.07985	2.7
277.21750	100.0
278.22113	7.9
474.26001	1.9
499.30673	1.2
502.29465	29.8
503.29691	3.2
515.33508	2.7
541.31335	1.2
559.33099	14.8
560.33014	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	559.3645
Annotation	Hippuristerone K
Peak:m/z	Relative Intensity
59.01092	5.0
59.01387	91.0
69.07510	13.7
69.07918	6.5
79.96862	2.2
119.35986	2.2
167.01172	3.9
190.73740	2.4
228.95769	2.2
255.23312	2.8
321.01007	2.2
398.38812	2.3
423.32639	6.1
466.93884	2.5
499.34390	26.3
500.34851	2.4
559.36548	100.0
560.36865	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	560.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01364	5.7
59.01391	54.4
61.98822	7.8
69.05677	26.7
69.06098	28.1
71.01389	43.6
73.02914	7.6
83.01421	7.9
85.02962	16.2
87.00874	7.9
89.02448	22.8
90.09398	6.0
98.21834	13.6
101.02464	35.6
113.02480	18.6
117.27887	6.0
119.03531	8.2
131.03497	8.1
160.01672	13.0
161.04521	12.8
167.14386	5.6
175.03978	9.6
179.05690	10.7
191.05554	9.2
208.03812	17.3
223.06142	41.1
232.79155	6.6
267.06720	11.7
279.06668	17.3
285.04041	8.4
291.06787	8.0
295.06152	18.2
304.09814	5.8
306.09048	11.4
307.06262	34.8
310.08463	23.2
321.07764	9.1
322.08450	13.7
325.10785	69.3
325.69809	6.1
337.10931	100.0
559.77228	8.1
560.28021	20.3
561.18317	10.2
561.28821	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79881	0.2
57.03452	0.8
58.00592	0.3
59.01385	6.0
60.70980	0.3
60.99299	0.7
61.98827	1.1
67.01901	3.3
68.43383	0.3
69.03452	1.1
71.01388	6.1
73.02956	1.9
75.02392	0.3
80.94083	0.3
81.03458	0.7
81.52600	0.3
82.92683	0.3
83.01397	0.7
83.05044	0.8
84.56254	0.3
85.02963	9.8
87.00881	5.5
88.98812	0.7
89.02441	2.5
93.03471	18.7
93.67454	0.3
94.03828	0.3
95.01397	0.4
95.05067	0.4
97.02943	0.4
98.21777	1.2
99.00864	1.1
99.04521	0.9
101.02468	3.1
105.03440	0.7
107.05054	0.4
109.02956	1.7
111.04549	2.6
113.02483	2.3
119.03492	1.1
121.02941	0.9
125.02476	0.4
127.04038	2.0
131.03534	0.4
132.02184	2.9
133.02969	10.2
134.03752	0.7
135.04559	4.7
136.01695	0.5
137.02437	0.9
139.04002	0.3
143.03516	0.5
150.03166	0.3
151.04025	1.1
152.28281	0.3
152.53905	0.3
155.03522	0.8
156.72621	0.3
160.01685	8.3
161.02467	14.1
161.04593	1.3
162.02985	0.6
171.03004	0.5
173.04561	7.2
174.03221	0.5
177.01952	4.5
178.02695	1.0
179.03615	1.7
179.05588	1.4
180.04189	0.3
191.05629	100.0
192.05946	3.3
195.06621	0.8
202.02756	0.6
207.06528	0.3
209.08139	0.3
215.05602	3.5
221.06671	1.0
263.07660	0.5
275.51480	0.3
285.04318	0.4
307.08286	0.6
351.07236	8.4
352.07687	1.0
357.13721	0.4
368.10043	0.3
369.09818	22.1
370.10358	1.9
387.10889	0.7
399.23376	0.5
435.28946	0.4
461.85861	0.3
550.78149	0.3
561.16217	2.3
561.28571	1.9
561.35022	1.2
562.16443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
58.51608	1.3
59.01386	60.2
60.01727	1.5
60.12213	1.3
61.98826	2.7
66.64109	1.6
67.01896	2.3
67.88267	1.2
68.85909	1.2
68.99822	2.0
69.03474	1.3
70.79028	1.4
70.79368	2.3
71.01392	17.9
71.05017	1.9
73.02982	3.3
75.00870	2.1
81.03482	2.3
83.01418	2.9
83.05034	1.6
85.02966	11.8
87.00868	6.2
89.02460	9.5
93.03484	14.7
95.01435	2.0
95.05040	1.8
96.95992	3.0
99.00900	4.0
99.04532	3.5
101.02470	12.1
105.03481	3.0
111.00891	2.6
111.04523	2.6
113.02461	10.3
113.99576	9.8
115.00387	5.8
119.03525	5.0
119.08698	3.8
125.02449	1.6
127.00395	1.8
128.03575	1.6
128.29936	1.5
129.02014	1.3
133.02959	22.1
134.03716	1.5
135.04538	5.7
135.08202	1.6
137.02461	1.5
137.09741	7.6
139.00380	4.3
143.03464	1.7
154.99837	1.8
160.01701	3.0
161.02467	3.6
161.04593	2.2
173.04575	21.4
176.01128	1.4
177.01953	12.2
178.02710	2.7
179.03619	2.3
179.05550	2.7
179.10809	3.6
181.08711	10.3
191.05632	35.2
197.11876	22.1
215.05609	1.6
221.06667	2.3
241.10829	37.5
277.05643	17.0
287.15039	1.5
319.06815	4.5
337.07837	2.3
351.07327	4.7
369.09924	5.3
387.11200	1.5
389.59180	1.3
438.47781	1.6
561.18311	100.0
561.27930	4.8
562.18695	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	561.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	21.7
57.03456	1.4
59.01386	74.5
60.01712	0.8
69.03455	1.0
69.09628	4.9
69.09946	0.6
71.01392	13.1
72.99304	0.9
73.02965	2.3
75.00875	3.2
79.22035	0.6
83.01398	13.7
85.02983	2.5
87.00893	5.6
88.97289	0.6
89.02461	5.9
95.01406	0.7
97.06644	0.5
98.21793	1.2
99.00922	1.7
99.04534	1.3
101.02439	4.7
111.00882	3.2
112.98826	0.9
113.02467	3.7
115.00388	1.9
117.01982	1.3
119.03526	2.0
125.02494	0.6
126.37698	0.6
127.00392	5.5
129.01958	1.5
135.03023	10.6
137.02475	0.5
145.01427	4.7
154.99887	68.1
156.00235	2.2
161.04602	1.1
165.04054	0.7
165.12892	2.1
167.10767	0.8
169.01407	1.3
173.00896	0.7
179.05650	1.4
197.11815	1.1
202.79828	0.6
207.13953	3.2
209.11870	8.2
225.14961	4.8
227.12914	41.3
228.13286	2.0
241.10730	1.0
251.12868	1.6
269.13986	11.8
284.03256	0.7
287.15045	100.0
288.15384	6.6
351.10892	1.1
387.16537	1.2
405.17709	64.8
406.18173	5.3
445.17172	0.7
519.24377	1.1
533.18903	0.8
561.18201	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77474	0.6
57.03465	4.3
59.01385	57.1
68.99519	1.2
68.99831	2.2
69.03437	0.9
69.41386	1.8
69.41796	2.4
71.01387	15.3
71.05042	1.1
72.99307	0.9
73.02960	3.3
75.00868	0.8
83.01399	3.4
85.02960	6.9
87.00867	3.4
89.02454	9.7
95.01433	1.2
99.00900	4.0
99.04520	2.0
101.02458	7.9
111.00883	1.6
112.98692	2.3
113.02468	7.3
113.99590	9.4
115.00371	3.7
117.80728	0.6
119.03506	3.7
119.08675	3.1
125.02389	0.9
127.00375	1.8
129.01897	1.0
135.02977	1.2
135.08188	0.9
137.09750	5.1
139.00369	1.9
149.04497	1.5
154.99916	2.1
157.01456	1.8
158.81374	0.7
161.04553	2.9
163.07637	1.5
169.01413	0.9
174.01682	1.6
175.02550	1.3
179.05646	2.4
179.10826	3.3
181.08714	10.8
189.07285	0.8
191.05635	0.9
197.11850	19.5
198.12189	1.1
199.47983	0.7
241.10838	17.1
242.11125	1.4
277.05676	11.8
277.12924	1.2
284.03311	2.5
285.04050	5.7
319.06888	1.2
337.07806	12.5
398.12292	1.5
399.12946	1.1
399.20380	2.3
447.09296	5.9
508.38748	0.7
561.18274	100.0
562.18573	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	561.2924
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01870	3.3
57.03439	3.9
58.00590	5.4
59.01384	86.9
61.98837	16.9
63.02380	2.7
71.01391	82.2
71.26104	4.0
72.99298	7.4
73.02962	12.8
83.01369	9.5
85.02960	22.7
85.82578	2.4
87.00880	8.2
89.01903	3.7
89.02448	57.7
95.01392	6.0
99.00878	7.9
101.02450	57.7
113.01736	3.1
113.02463	36.1
119.03504	24.3
129.01939	5.1
131.03522	3.8
133.86102	2.1
135.04504	3.6
135.98267	2.6
141.01901	2.7
143.03487	5.2
145.04999	2.8
149.04460	3.1
160.01599	3.9
161.04565	14.8
175.03938	2.7
179.05606	9.0
179.60596	2.1
191.05571	3.2
208.03807	3.8
223.06020	5.8
253.05064	68.8
254.05502	8.5
285.04169	2.6
323.07593	3.7
399.23846	25.3
409.05597	2.4
429.79257	2.5
443.22461	3.4
447.09344	3.1
561.29083	100.0
562.29095	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	561.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.0
61.98829	4.4
67.47659	0.8
70.84908	1.5
71.05029	1.0
78.21129	0.8
78.95917	22.8
111.08184	0.9
152.99593	4.6
156.38129	0.8
168.04308	3.3
171.00620	1.2
196.03824	0.8
197.34335	0.7
224.06961	8.9
230.65938	0.7
242.08008	2.4
265.21854	1.0
265.64252	0.9
279.23318	100.0
280.23639	6.5
476.27911	4.5
480.04962	0.9
504.31030	62.5
505.31241	5.0
517.35547	3.3
543.33246	1.3
561.34497	15.5
562.34467	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	561.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74363	0.6
59.01384	9.5
61.98832	4.4
69.68918	2.6
78.95914	5.8
91.64585	0.6
98.21719	0.6
118.63558	0.6
152.87260	0.6
152.99600	3.6
168.04367	1.6
224.07056	0.7
242.08040	2.6
275.20175	0.7
279.23325	100.0
280.23679	8.4
414.15524	0.5
457.33557	0.8
476.27872	1.6
483.31580	0.7
499.34506	0.9
504.31024	28.5
505.31448	2.3
517.35443	1.9
556.76196	0.6
561.34637	11.7
561.42908	0.7
562.34839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84175	0.5
59.01381	5.1
61.98839	100.0
65.35860	0.5
71.01395	2.3
71.26599	0.7
72.99318	0.7
73.87329	0.5
75.00890	1.5
75.06670	0.5
76.70870	0.5
76.86716	0.5
79.34104	0.6
85.03008	0.7
88.98814	0.8
89.02476	1.2
93.03509	1.3
96.96033	1.0
99.00903	1.3
101.02467	0.7
109.02987	1.7
115.00426	0.8
119.05079	1.9
129.79390	0.5
131.03659	0.8
135.03059	2.5
135.04611	1.7
137.02510	0.7
139.00418	1.4
146.54482	0.6
149.06082	10.2
150.06464	0.7
156.99139	1.6
159.04572	0.7
161.02538	2.3
161.06084	0.7
163.04079	1.2
165.01988	1.2
175.04044	2.3
177.02007	0.9
187.04077	1.4
189.05719	0.8
191.05695	0.7
193.05164	2.1
219.03020	5.4
231.06862	0.8
233.04697	1.6
237.04033	6.4
257.04736	0.9
259.02554	4.1
277.03506	1.0
293.07007	1.1
319.04926	1.0
327.08975	2.5
337.05734	13.6
337.09598	1.0
381.08304	0.9
399.09534	1.1
401.14560	1.2
481.09952	23.5
482.10300	3.3
499.10889	6.4
500.11697	1.0
545.24890	0.8
562.09705	0.8
562.85431	0.6
563.20007	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	562.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28251	7.1
59.01382	100.0
60.01741	5.9
61.98824	7.9
69.80566	25.7
71.01393	44.9
72.99319	6.1
83.01427	6.8
85.02958	13.7
87.00890	19.0
88.98805	33.5
89.02473	53.3
98.22501	12.7
101.02432	37.2
113.02470	12.9
119.03497	11.0
131.03508	23.7
149.04556	39.7
154.99846	12.9
159.68582	6.6
161.04579	7.0
175.16747	6.4
185.05104	6.8
190.51924	6.5
191.05614	17.5
209.91795	6.7
211.86096	7.6
225.21822	7.4
227.12843	12.0
246.27118	6.6
246.76802	6.5
287.14987	22.4
297.07657	11.6
309.07513	15.6
312.09949	10.3
327.12537	45.6
339.12421	21.6
375.16745	7.9
562.18774	11.4
563.19617	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	562.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74405	5.6
53.43195	5.8
59.01379	44.4
61.98830	12.3
71.01382	18.5
85.02938	9.1
87.00865	7.3
88.90729	5.8
89.02445	14.7
90.02779	5.4
96.36299	5.8
97.93168	12.5
101.02468	9.9
114.93422	100.0
115.00417	10.3
179.05612	7.7
191.05696	13.3
193.05066	6.6
269.04584	11.1
277.05118	6.1
284.03232	8.2
285.03894	19.4
286.04419	14.9
303.31577	6.0
327.12253	14.9
339.12457	6.4
448.09970	30.5
562.04230	9.3
562.18604	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	563.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72836	1.4
53.18838	1.3
57.03444	1.9
59.01385	29.4
59.66751	1.3
61.98832	3.1
71.01389	29.3
71.27386	2.5
72.99308	4.9
73.02949	4.8
75.00881	25.8
75.64083	1.5
79.78594	1.4
83.01389	2.5
85.02944	8.0
87.00902	4.3
88.98829	5.7
89.02454	19.9
93.03452	1.9
95.01426	2.7
96.96038	13.8
101.02465	15.9
105.99238	1.6
111.00862	2.9
113.02458	7.5
117.01952	3.7
119.03526	6.0
119.05032	14.2
121.03065	2.4
125.02464	4.1
131.03535	4.7
135.03018	100.0
136.03325	1.7
137.68324	1.5
139.29372	1.5
143.03462	2.9
161.04584	5.6
163.04034	24.8
179.05617	2.2
179.07101	2.3
191.05649	3.3
221.06682	4.0
237.09261	2.2
244.43187	1.8
269.10315	5.7
281.06641	3.8
283.09723	4.7
297.05353	1.7
327.08749	21.5
328.09048	2.4
349.50830	1.5
401.14484	21.0
445.11401	5.5
563.20190	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	563.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03461	1.7
58.09367	0.9
59.01393	4.5
65.39930	0.7
68.99828	1.2
69.04633	7.2
69.05048	1.9
71.01392	9.2
71.82915	0.8
72.99326	1.8
73.02575	0.7
73.02954	5.6
73.49243	0.8
82.80978	0.9
83.01389	2.4
85.02961	5.3
87.00883	35.5
95.01411	5.6
97.02941	1.1
99.00887	9.1
101.02456	3.1
109.02914	1.2
111.00901	5.2
112.98830	7.2
113.02467	2.8
115.00394	1.8
116.36301	0.8
123.00893	8.9
124.01672	1.4
125.02464	0.9
127.04020	1.3
129.01959	3.2
131.03493	1.7
135.04523	1.7
138.03261	7.2
142.99855	5.7
145.01480	3.8
147.02986	1.2
147.04587	1.1
149.02499	1.8
151.00433	1.7
151.04010	1.0
153.05588	9.9
161.02481	9.9
161.27435	0.8
163.04036	8.1
164.04831	7.5
166.02718	5.8
173.00935	39.2
174.01752	10.7
174.03177	2.1
175.04042	3.6
176.04803	9.2
177.01917	2.0
178.06381	11.0
179.03540	14.5
179.07137	11.5
181.05081	6.6
187.04066	1.4
188.04854	1.2
189.05608	2.0
190.02638	2.2
190.06299	1.2
191.03505	10.7
191.05257	1.2
191.07179	6.3
192.04260	1.9
193.05109	1.3
193.08730	16.4
193.10378	1.7
194.05869	15.8
194.08890	1.0
203.03462	6.0
204.04268	0.9
205.05042	4.8
206.05830	6.3
207.03062	1.1
207.06564	2.4
209.08218	23.3
210.08600	1.2
218.05916	3.1
219.02985	5.8
219.06577	1.6
220.03636	1.7
221.04668	1.3
221.08243	8.7
222.05486	0.9
229.01323	1.1
231.02855	1.8
233.04520	1.3
234.05345	5.1
235.06085	1.9
236.07033	1.1
237.07710	2.5
245.04599	2.0
246.05424	1.6
247.02524	7.7
247.06094	2.1
249.04065	1.0
249.07729	10.5
250.04817	1.3
251.09195	1.4
261.03949	4.4
261.07706	1.3
262.04868	14.7
264.06274	1.7
265.07181	14.8
267.08420	1.0
276.06409	5.5
277.07202	37.7
278.07693	2.0
281.12280	1.3
291.08856	3.1
295.08197	2.4
325.09348	2.1
335.06039	1.1
337.09348	48.9
337.22595	0.9
338.09659	3.9
341.51233	0.9
374.42300	0.9
383.10013	4.5
427.12473	3.7
439.12415	2.4
457.13843	1.8
563.16229	100.0
564.16602	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	563.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	4.9
58.77218	4.1
59.01392	76.5
59.31679	3.9
66.55166	3.9
69.21049	36.7
71.01392	73.9
72.99294	7.7
81.06532	4.3
85.02977	13.3
87.00869	18.6
88.98804	10.0
89.02461	80.7
98.21774	9.3
101.02459	30.9
111.00883	5.2
113.02488	28.4
119.03526	28.1
129.01936	5.1
130.08748	7.6
131.03630	4.4
143.03494	7.0
153.05539	5.6
161.02467	9.6
161.04526	5.9
179.03497	9.5
179.05653	27.5
179.07127	10.0
194.05901	9.6
209.08151	12.7
265.07135	10.7
270.09775	10.6
311.44315	5.2
323.09912	23.4
341.10999	6.1
363.50940	5.3
427.12668	13.1
503.16260	100.0
504.16290	8.9
563.16565	29.7
576.31201	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	58.0
69.17323	100.0
71.01395	41.8
72.99312	45.0
73.02949	18.0
73.34083	11.7
78.95934	15.7
81.52219	10.7
85.02981	11.1
86.34654	13.2
87.00903	18.3
87.53545	11.8
89.02475	56.7
96.97002	12.3
101.02468	32.1
103.88213	11.0
113.02464	23.3
120.74934	12.0
128.03548	12.2
133.01469	39.3
145.01530	12.8
145.06212	42.3
191.05563	16.2
264.28992	11.6
294.69394	12.8
302.46051	11.1
323.09909	23.7
359.11200	15.9
412.69812	12.8
503.16064	30.8
563.15900	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	58.0
69.17323	100.0
71.01395	41.8
72.99312	45.0
73.02949	18.0
73.34083	11.7
78.95934	15.7
81.52219	10.7
85.02981	11.1
86.34654	13.2
87.00903	18.3
87.53545	11.8
89.02475	56.7
96.97002	12.3
101.02468	32.1
103.88213	11.0
113.02464	23.3
120.74934	12.0
128.03548	12.2
133.01469	39.3
145.01530	12.8
145.06212	42.3
191.05563	16.2
264.28992	11.6
294.69394	12.8
302.46051	11.1
323.09909	23.7
359.11200	15.9
412.69812	12.8
503.16064	30.8
563.15900	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	4.3
57.03448	3.6
58.00599	3.3
59.01388	53.4
68.36615	0.5
69.03462	1.6
71.01392	73.3
71.26912	0.5
72.01733	1.0
72.99309	3.9
73.02959	16.1
75.00870	0.8
81.03456	1.2
83.01397	9.6
85.02959	22.4
86.00124	1.1
87.00888	6.0
89.02457	40.8
91.44541	0.5
95.01398	3.7
96.96035	1.1
97.02957	5.3
99.00895	5.4
101.02457	50.4
102.59017	0.5
109.02984	0.6
111.00894	4.7
113.02468	23.2
115.04050	1.0
119.03521	7.4
121.03011	0.6
125.02467	14.7
126.11058	0.5
129.01997	1.0
131.03516	17.0
143.03497	4.2
144.62717	0.5
149.02539	0.6
149.04578	10.3
159.02986	2.9
161.04572	17.4
161.05904	1.1
162.04839	0.6
173.04526	0.7
179.05620	2.5
191.05692	1.4
205.03555	0.7
221.06642	6.8
233.06630	2.5
251.09290	1.2
252.43303	0.5
269.10309	22.8
270.10721	1.5
275.07678	0.5
293.08899	2.3
393.25797	0.6
401.14566	100.0
402.14865	8.1
413.14523	1.1
431.15649	8.6
563.19861	65.2
564.20190	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	563.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
57.03436	2.6
58.00606	3.3
59.01386	74.0
59.85378	0.7
60.01679	0.7
61.14688	0.7
66.29826	0.7
67.01860	0.8
68.97795	2.9
68.98218	4.2
69.03442	2.3
71.01390	80.9
72.01718	0.8
72.99319	4.7
73.02954	14.7
75.00856	2.0
81.03448	0.9
82.33422	0.8
83.01393	11.8
84.02191	0.8
85.02965	22.6
87.00899	6.1
89.02457	52.2
93.03452	2.8
95.01401	4.4
97.02985	6.6
98.21770	1.0
99.00896	5.6
99.04546	3.8
99.05084	1.1
99.47916	0.7
101.02455	55.0
102.02816	0.9
111.00896	4.4
111.04539	1.2
113.02466	26.8
115.00406	0.7
115.04021	1.5
119.03522	15.9
119.05035	2.3
121.02968	1.1
122.30909	0.7
125.02464	10.2
129.01927	1.8
131.03514	12.7
131.04999	0.9
135.03015	3.9
143.03546	5.9
143.05032	2.3
149.04593	7.8
150.03178	0.7
159.02972	1.9
159.04288	0.6
161.04587	17.3
163.04024	1.4
175.02541	0.9
179.05606	8.4
191.05592	2.4
211.07639	1.1
233.06650	2.6
237.09151	1.2
265.08722	1.5
269.10321	20.7
270.10657	0.8
293.08801	2.2
327.08780	10.8
328.08871	0.8
335.71463	0.6
401.14563	100.0
402.14920	7.7
431.15726	4.0
445.11600	1.5
445.21320	1.6
455.13541	1.0
524.43933	0.7
563.19867	75.0
564.20190	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	563.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.8
59.01142	2.4
59.01396	24.8
60.99312	13.5
63.55009	1.6
65.03057	1.6
69.94981	1.7
71.01383	9.5
73.02929	3.3
75.00845	2.6
76.11105	1.6
85.02949	5.4
87.00884	9.4
88.98818	100.0
89.02455	4.2
91.94167	1.6
98.22661	2.5
101.02457	6.0
105.01908	2.7
113.02468	6.0
119.03493	2.0
135.02989	3.8
139.11298	1.9
140.91753	1.7
145.01462	2.9
145.08505	1.9
147.03044	1.9
154.99846	3.7
172.49814	1.9
214.65742	1.6
227.12817	4.3
230.91206	1.8
243.12410	3.9
269.13977	3.0
287.15012	9.9
319.06555	5.1
360.66940	2.0
378.88193	1.9
563.19818	7.9
563.27686	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03437	3.9
59.01385	44.0
60.01733	1.2
64.21682	1.2
71.01034	1.7
71.01390	19.9
71.28357	2.1
72.99310	3.1
73.02942	3.9
73.65943	1.2
75.00848	4.2
81.03451	1.8
82.18905	1.3
83.01390	4.7
85.02493	1.5
85.02964	16.2
87.00887	7.3
88.98802	5.0
89.02469	11.6
95.01373	5.0
99.00884	3.2
99.04552	2.8
100.01666	1.4
100.98796	3.9
101.02467	9.8
111.00901	7.2
113.02459	20.0
115.00384	10.5
119.03491	4.9
121.02909	1.9
125.02448	2.6
127.00380	1.4
127.43021	1.3
128.01216	1.7
129.01923	3.4
133.98027	1.3
135.02994	8.1
139.00381	2.8
139.11308	15.9
140.36919	1.3
142.98219	1.4
153.02014	2.7
154.99826	2.8
156.00685	20.3
157.01375	4.5
161.04637	3.0
163.04092	1.4
170.57945	1.3
175.02451	1.6
179.05673	1.7
181.12393	8.9
183.10268	16.8
191.05640	2.9
193.73152	1.2
199.13449	2.8
213.06540	1.4
223.13397	4.0
225.11293	2.6
227.12982	1.8
230.35956	1.5
243.12358	23.3
267.12363	4.7
271.78827	1.4
277.05746	3.5
287.15088	2.9
299.48492	1.3
319.06735	82.7
320.07068	3.3
335.68335	1.4
405.18243	1.5
442.63837	1.4
445.20844	2.5
447.18420	1.8
503.17316	1.5
563.19788	100.0
564.20288	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	563.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03445	2.7
59.01384	54.9
59.10817	0.9
59.98481	0.9
60.99310	1.7
68.99808	2.3
69.09311	2.1
69.09723	6.5
69.25482	0.9
71.01388	5.6
71.05035	1.3
73.02946	3.1
75.00874	1.4
81.70172	0.9
83.01352	1.1
85.02946	5.1
87.00885	3.6
87.39661	1.1
88.98810	5.6
89.02463	2.0
90.82101	1.1
95.01407	1.7
99.00903	3.7
99.04518	1.4
101.02463	2.9
113.02460	5.6
113.99601	8.6
115.00408	3.5
127.00415	2.2
129.01912	1.2
135.03035	5.0
139.00377	3.2
139.11304	16.9
146.53430	0.9
147.46458	1.1
154.99863	2.4
157.01443	3.6
181.12352	10.4
183.10278	21.7
199.13420	5.2
206.26093	1.0
207.13969	2.3
209.11879	4.6
221.24077	0.8
223.76817	0.9
225.11433	5.3
225.14944	2.6
227.12910	21.5
239.03511	1.1
243.12389	37.0
244.12672	1.8
248.06956	0.9
269.13882	5.9
277.05661	12.9
287.15051	49.4
288.15375	2.0
319.06699	2.3
405.17706	39.2
406.17963	3.4
563.19849	100.0
564.20148	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94179	1.6
52.20992	1.9
52.33091	1.7
55.01871	1.9
57.03435	1.8
59.01383	41.8
61.99984	1.8
68.99755	13.3
69.00175	8.5
69.01675	1.6
71.01385	19.6
73.02953	4.7
75.00869	2.5
78.55491	2.0
78.95899	3.4
83.01370	5.0
85.02959	11.2
85.06598	20.2
87.00876	4.4
87.90711	1.8
89.02450	5.7
93.03453	2.7
95.01416	3.9
96.96023	11.6
97.06577	2.9
99.00870	3.7
101.02438	12.3
111.00867	2.6
113.02454	9.6
113.99577	9.3
114.93393	4.4
115.00407	3.5
118.96614	2.2
119.03480	1.9
123.00950	2.1
127.00430	2.9
129.01865	2.2
135.02989	5.0
135.04488	3.3
154.12447	2.1
155.14429	25.9
157.01375	2.4
158.76364	2.1
161.04539	4.2
181.12315	3.6
181.79105	2.0
191.05621	6.2
199.13414	100.0
241.18086	2.1
269.04480	4.6
270.04904	4.1
271.04935	2.8
277.05649	13.0
337.07956	12.2
379.07776	2.0
427.55396	2.2
477.23462	4.3
503.32135	10.8
519.20734	25.1
521.33221	7.1
557.35559	2.4
563.23340	68.1
563.33557	6.6
564.23669	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	563.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26805	1.2
53.28334	1.4
55.01878	2.4
57.03431	2.3
57.93200	1.1
58.00596	2.6
59.01385	89.3
60.42246	1.3
69.02381	5.1
69.02811	5.9
69.03462	1.1
69.28943	1.3
71.01392	56.0
72.99303	3.4
73.02967	8.6
82.50575	1.3
83.01395	3.3
85.02967	8.8
87.00887	5.7
88.98830	1.4
89.02456	85.7
97.02974	2.0
99.00879	1.5
101.02454	46.4
101.04202	1.1
111.00909	2.2
113.02479	11.1
114.93379	2.5
116.92890	1.5
119.03522	8.3
125.02480	3.3
131.02551	2.5
131.03523	41.1
139.11305	2.5
149.04573	100.0
150.04916	1.4
161.04594	2.2
179.05661	1.4
183.10201	1.3
191.05624	23.9
209.11864	1.3
227.12854	2.4
243.12386	2.8
251.07846	1.4
257.08624	1.2
277.05701	1.4
284.03442	1.7
285.03979	3.6
287.14960	5.2
293.08630	2.0
311.09943	3.6
447.09586	3.0
503.24841	5.3
563.19928	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94184	0.4
55.01885	1.6
57.03458	3.2
58.00619	0.6
59.01385	100.0
60.01722	1.2
61.98834	2.7
69.03454	0.6
69.05434	4.0
69.05732	0.4
71.01390	31.1
71.25246	0.4
72.01729	0.5
72.99323	1.4
73.02957	7.9
75.00886	0.8
83.01407	3.7
85.02961	14.9
85.06614	0.6
87.00891	2.2
87.04546	1.2
88.98824	1.1
89.02451	10.6
89.02959	0.7
95.01398	3.5
97.02969	1.0
97.06607	7.6
98.22547	0.9
99.00893	3.3
101.02452	17.4
102.02822	0.5
111.00902	1.0
113.02466	21.6
114.02826	0.5
115.00390	0.5
116.92871	0.6
119.03506	5.0
123.08215	0.5
124.01674	0.4
125.02466	1.8
129.01924	0.6
131.03575	0.6
135.03055	0.4
135.04553	0.7
139.00363	0.5
139.11406	0.4
141.97577	0.4
143.03517	2.9
143.10818	0.7
155.00021	0.4
159.03050	1.7
161.04581	11.7
161.05888	0.7
161.13394	0.6
173.04549	0.7
177.05548	0.5
179.05713	2.1
185.14320	0.4
191.05716	1.1
209.15573	0.5
227.12854	0.6
243.12631	0.8
243.19659	5.8
285.04028	0.5
287.15317	1.5
305.16235	0.5
323.25998	0.5
329.14044	0.5
341.14163	0.6
341.27237	1.3
359.28070	3.5
387.23914	3.6
405.24988	3.7
445.25000	0.5
467.30399	0.9
473.31253	0.5
485.31207	4.1
503.32330	45.4
504.32773	5.1
521.26447	0.9
521.33368	19.0
522.33667	2.1
563.20532	0.8
563.32861	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	563.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58860	0.7
55.01889	1.8
57.03448	4.7
59.01387	100.0
60.01720	1.0
61.98843	2.0
69.03474	0.9
71.01392	38.5
71.05035	6.7
72.99316	2.0
73.02956	7.6
83.01405	5.3
83.05049	1.6
84.80273	0.6
85.02961	19.3
85.06593	1.0
86.00072	0.8
87.00897	2.0
89.02457	11.5
95.01400	4.4
95.70322	0.5
97.02979	1.6
98.21774	2.2
99.00889	4.3
99.04564	1.1
101.02456	23.3
101.06111	1.7
112.01662	0.7
113.02468	23.9
114.02794	0.7
119.03507	4.2
124.01686	0.6
125.02512	1.8
137.09775	0.7
143.03546	3.4
143.10857	2.1
148.80228	0.6
149.99944	0.6
155.10820	0.8
159.03084	2.8
161.02501	0.6
161.04579	13.2
162.04926	0.8
164.04814	1.0
175.04062	1.3
179.05779	1.7
181.16139	0.7
191.05653	1.4
199.97171	0.6
208.03723	0.8
223.17027	0.7
257.21283	7.4
257.23492	0.7
323.26126	1.9
324.98318	0.6
341.27274	1.5
353.10608	1.4
359.28082	4.7
368.13272	0.7
383.15250	0.7
401.16357	1.9
401.25143	2.9
402.26346	0.9
409.39838	0.7
411.27084	0.6
419.26752	1.1
455.30560	1.0
467.30759	1.0
473.31424	1.0
485.31125	2.9
503.32358	43.3
504.32751	5.1
521.33331	22.7
521.40887	1.2
522.33398	3.2
563.34229	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	564.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83748	1.2
55.01873	1.3
57.03431	2.7
59.01385	76.2
60.01702	1.6
61.98836	100.0
69.03452	1.4
71.01038	1.7
71.01392	21.5
71.27985	2.1
72.99300	1.9
73.02950	8.5
75.00883	2.7
83.01379	4.5
85.02978	11.6
85.40373	1.5
87.00875	2.5
89.02452	11.5
93.03448	1.4
96.95974	1.6
99.00875	4.7
101.02454	16.9
111.00874	1.7
113.02457	14.1
114.02792	1.3
116.92849	3.4
119.03511	3.4
119.71999	1.4
125.02455	1.7
131.03543	1.8
134.73178	1.3
143.03439	2.2
150.67206	1.4
161.04585	8.5
161.05687	1.3
171.10269	1.8
179.05745	2.6
183.13948	1.6
191.05605	2.5
211.13367	2.8
253.09309	6.4
254.09648	4.0
311.09705	1.3
327.21707	9.8
328.22098	19.1
361.29498	2.0
415.23279	2.2
419.40903	1.7
504.32767	7.6
505.33731	15.0
522.33966	3.0
523.34729	3.9
564.29956	2.8
564.37701	3.0
590.40186	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66756	1.3
55.01893	1.6
57.03448	2.8
59.01388	71.3
60.01697	1.4
60.99306	1.3
61.98838	100.0
66.16260	1.3
71.01391	27.9
72.01723	1.8
72.70313	1.4
72.99310	2.0
73.02956	10.6
75.00890	1.8
83.01395	5.3
85.02961	14.6
87.00896	3.1
89.02469	12.1
95.01413	3.1
98.21708	2.8
99.00897	3.1
101.02460	19.9
103.40499	1.2
111.00908	2.3
113.02459	16.2
116.92833	3.0
119.03522	4.8
121.90652	1.2
125.02505	1.6
128.36020	1.3
131.03502	1.7
133.02916	1.3
135.02998	2.0
136.85789	1.4
137.09810	1.3
143.03571	1.6
161.04561	10.1
170.02946	1.3
171.10313	1.5
179.05727	3.4
183.13840	2.9
191.05656	2.7
204.07484	1.4
211.13380	1.6
221.06758	1.7
253.09341	6.7
254.09698	3.6
285.04034	2.7
327.21796	16.2
328.22107	24.8
329.22592	2.1
345.93478	1.2
420.23349	1.3
428.41562	1.6
447.25888	2.4
504.32770	10.4
505.33960	11.9
522.33435	2.0
523.34784	5.0
564.30176	5.5
565.28790	2.9
593.65417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89833	0.2
59.01385	1.3
61.22392	0.2
61.98837	0.2
69.17996	1.6
71.01402	1.0
73.02943	0.2
74.02470	0.2
83.01371	0.2
85.02941	0.3
87.00906	0.2
89.02476	0.6
91.45625	0.2
93.03480	0.2
98.22096	0.8
99.92596	9.2
100.92608	0.5
101.02451	0.4
109.02966	0.8
116.92877	100.0
117.92878	4.1
121.02961	2.1
122.03768	1.6
123.04540	0.5
134.03763	0.8
135.04572	0.4
137.02426	0.6
147.04521	0.8
149.02478	0.3
149.06111	0.5
150.03226	0.3
154.99881	0.7
161.06113	0.2
164.04820	0.4
165.05597	4.1
175.04059	0.5
178.02759	0.4
179.03612	0.5
179.07156	1.3
193.05078	1.8
194.38254	0.2
209.08286	0.7
257.04657	0.6
284.03137	0.4
285.04196	1.2
291.14685	0.2
298.12149	0.2
314.79782	0.2
315.12573	0.3
346.14267	1.3
359.13681	0.6
361.16605	13.1
362.17154	0.8
403.13678	0.4
403.18130	0.5
447.09457	1.0
547.02161	0.7
565.15472	0.2
565.20837	0.2
565.28613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01533	0.8
50.52240	0.7
57.03441	2.3
59.01387	32.3
61.98835	10.0
71.01395	12.8
71.28635	1.3
72.99301	2.0
73.02963	5.2
75.00870	3.1
77.32342	0.9
83.01400	2.8
85.02978	6.0
87.00842	0.9
89.02466	7.0
95.01392	1.8
96.95992	1.2
99.00909	1.3
99.04519	1.1
99.92593	21.1
100.93433	1.0
101.02451	8.5
113.02447	7.6
115.92092	33.2
116.59057	0.8
116.92872	100.0
117.92874	3.7
119.03519	2.7
125.02439	1.3
135.03015	6.3
141.93663	1.7
142.94427	1.0
143.03484	1.0
161.04552	3.6
167.14447	0.9
179.05609	2.5
184.91914	2.1
185.92665	1.1
221.06596	2.7
242.96095	1.0
243.19571	1.0
244.56982	0.9
244.97597	0.8
268.49576	0.7
269.04584	0.9
285.04025	0.9
343.28613	0.9
361.29684	4.3
443.08154	2.3
461.09103	3.0
473.27710	1.0
479.10242	3.4
485.09427	1.1
491.28387	1.2
503.10120	2.1
505.33856	16.3
521.11017	2.3
523.34802	7.5
557.94720	0.9
565.10571	4.8
565.29547	3.0
565.37012	1.8
566.33588	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54668	1.6
55.01891	2.4
57.03452	4.3
59.01384	81.8
61.98852	3.2
62.94167	1.6
65.00323	8.8
68.56989	1.5
71.01392	28.0
72.99329	1.8
73.02952	8.2
75.00887	2.8
83.01394	4.8
83.05045	2.9
85.02959	16.3
87.00883	7.4
87.04544	2.0
89.02461	7.7
95.01402	2.5
97.02964	4.6
98.21770	3.1
99.00855	3.6
101.02458	19.3
111.00877	2.3
111.04513	2.5
113.02461	10.7
116.92894	11.0
119.03544	5.0
121.02979	3.8
126.02184	1.4
135.03006	4.1
143.03511	2.1
161.04630	2.4
163.11259	2.1
181.12360	3.0
189.46432	1.6
191.05629	2.3
197.11847	2.3
199.13460	6.7
205.09122	1.6
223.13406	3.3
225.11267	9.8
227.23749	2.1
241.14331	2.0
285.13519	17.0
343.17679	9.8
359.15118	2.3
361.18677	44.9
362.18954	2.8
403.15897	28.4
403.19815	100.0
404.15762	2.6
404.20544	8.1
479.21323	2.0
505.33606	9.5
521.22491	21.4
522.22748	3.2
523.34961	3.1
565.20618	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	565.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.2
58.00600	1.9
59.01386	100.0
61.11893	1.7
61.98837	12.6
69.04617	3.8
69.05029	8.4
69.97155	1.4
71.01391	35.2
72.01727	1.6
72.99310	4.8
73.02946	4.3
75.00881	14.5
83.01401	5.4
83.05041	1.7
85.02997	11.0
87.00884	10.6
89.02454	25.8
89.02971	2.2
95.01405	2.1
97.02976	3.2
99.00885	1.8
99.04529	2.7
100.57253	1.7
101.02453	15.9
107.74044	1.5
109.06611	6.5
111.00902	3.8
113.02490	11.6
117.01971	2.0
119.03542	8.8
134.06143	2.7
135.03015	24.9
135.11810	4.2
137.02481	2.3
142.21928	1.4
147.03081	2.8
149.04599	1.7
161.04565	1.9
161.13298	2.2
167.07159	3.5
179.05630	5.2
191.05658	1.9
193.05049	1.6
206.04636	4.1
209.11885	1.8
223.13431	52.9
224.13820	3.9
227.13008	2.6
259.12006	1.6
267.12405	63.1
268.12631	3.2
269.14099	3.2
285.13531	3.5
287.15057	4.7
353.11407	3.5
385.14987	2.9
447.18585	41.6
448.19089	4.1
449.20300	4.7
501.14606	1.6
505.20490	3.6
523.22986	2.7
533.17853	7.4
556.34918	1.5
565.21259	44.5
566.21674	4.5
566.31641	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	565.2294
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
55.01878	0.8
57.03458	1.0
58.00616	0.7
59.01388	27.4
69.03444	0.9
69.20672	3.7
71.01392	19.4
72.99310	2.2
73.02959	4.3
78.95902	0.6
83.01400	3.4
85.02966	11.7
86.00093	0.5
87.00887	2.2
87.15968	0.5
89.02457	4.3
91.46452	0.4
93.03461	1.0
95.01429	2.4
97.02936	0.7
99.00900	1.8
101.02460	7.6
109.02975	4.6
112.01678	0.5
113.02465	8.4
113.03193	0.8
116.92884	2.8
118.18342	0.5
119.03519	2.2
121.02969	10.5
122.03757	9.6
123.04555	3.0
124.01661	1.9
125.02457	1.9
126.43033	0.5
129.03568	0.6
134.03781	1.2
135.04501	2.2
136.05298	1.4
137.02444	2.7
137.06030	0.5
138.03232	0.6
143.03529	1.0
146.03772	0.5
147.04539	7.1
148.05319	0.7
149.02452	0.6
149.06105	1.5
150.03229	0.8
154.02733	2.4
159.08189	0.6
160.05313	1.2
161.04713	1.1
161.06090	4.4
162.06856	2.0
163.04022	1.0
164.04781	0.8
165.05583	19.2
166.05919	0.6
168.04225	0.7
173.06070	0.9
174.06822	0.8
175.03934	0.9
175.07622	1.4
176.04849	0.7
177.05470	0.5
179.03368	0.5
179.05734	1.0
179.07161	5.8
181.05042	0.6
181.73405	0.5
190.06363	0.5
191.05649	0.6
191.07158	2.5
192.07909	0.6
193.08745	0.8
200.70131	0.5
209.08154	1.6
223.09871	0.8
226.64639	0.5
298.12103	2.2
299.12927	0.7
313.11005	0.9
313.14395	5.8
314.11563	0.5
315.12457	1.4
316.13065	1.0
328.13193	4.5
329.14008	1.4
331.15317	0.8
343.11673	0.9
343.15552	10.7
344.15836	1.2
346.14243	7.7
347.14905	1.6
361.16608	54.8
362.16895	4.7
403.13586	1.1
403.18240	0.9
445.18872	0.6
473.83047	0.6
475.19693	1.9
505.20871	100.0
506.14441	0.4
506.21182	11.7
523.21930	44.5
524.22217	5.0
565.22162	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	565.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28792	0.3
56.07511	0.3
59.01392	1.6
71.01396	0.4
83.96066	0.3
87.77426	0.3
93.03465	1.8
99.92590	5.1
100.89787	0.3
100.92576	0.3
108.02231	0.5
109.02969	4.7
113.02458	0.4
116.92876	57.5
117.92886	3.6
119.05034	0.4
121.02973	14.1
122.03759	10.1
123.04526	1.4
124.01693	1.2
129.03474	0.7
134.03764	1.0
135.04521	1.5
136.01685	0.5
136.05312	1.0
137.02460	2.7
139.04076	0.3
146.03810	0.6
147.04552	6.5
148.05255	0.6
149.06075	1.1
154.02777	2.4
160.01718	0.4
161.06111	2.6
162.06810	0.4
163.04007	0.4
164.04782	0.8
165.05589	24.0
166.05907	0.9
168.04324	0.3
168.11162	0.3
173.06093	0.3
175.03984	0.8
175.07727	0.3
177.05699	0.5
178.06403	0.8
179.07158	7.9
191.07216	0.8
202.61015	0.3
209.08174	0.9
209.82849	0.3
223.09802	0.6
226.92885	0.3
274.43445	0.3
284.03394	0.4
285.03912	0.7
298.11963	0.4
301.11044	0.6
313.14490	1.0
315.12296	2.3
316.13205	0.7
337.09457	0.5
343.15503	0.6
346.14252	7.5
347.14444	0.5
361.16605	100.0
362.16931	11.0
373.43127	0.3
391.93683	0.4
403.13278	0.4
404.39496	0.3
447.09433	0.7
485.05948	0.4
565.21600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35951	0.6
55.95558	0.7
58.02956	1.3
59.01368	2.3
61.98825	2.7
67.02000	0.6
69.09648	6.9
70.02982	1.9
72.00913	1.3
81.02205	2.9
82.02976	1.8
82.06618	1.1
85.02953	1.2
91.25850	0.7
96.00928	6.0
98.02493	11.3
99.04566	0.7
99.05660	13.8
101.02457	0.9
104.86004	0.8
109.01700	5.7
111.01997	0.9
114.02000	1.9
114.05585	0.9
116.05075	1.0
116.92850	2.2
118.06640	4.1
123.05688	1.0
124.02792	1.8
127.08805	1.6
129.10352	1.8
138.09245	2.2
139.08760	1.9
140.07124	1.0
141.06699	7.0
143.05057	2.4
147.04532	9.2
147.05971	3.4
152.07193	1.2
155.08302	3.7
157.06596	2.8
164.07182	19.7
165.07449	0.9
165.10382	3.6
166.08742	12.1
167.08195	1.0
168.10303	1.0
172.07710	1.7
181.09872	1.8
183.11443	3.5
189.07048	21.9
199.06429	6.1
200.07068	1.7
209.09259	2.5
210.07686	4.4
256.08588	1.2
259.14511	2.4
270.14957	2.2
277.15533	2.2
295.14423	3.3
313.15607	8.3
331.16962	0.9
357.14584	100.0
358.14923	7.8
375.15720	4.0
397.72592	0.9
400.15350	1.7
434.43686	0.8
547.22369	38.9
548.22925	4.7
565.23303	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12006	1.1
53.32268	1.0
55.01888	1.1
56.27886	1.0
57.03450	2.8
58.00594	4.8
58.09612	1.0
59.01385	100.0
61.98831	2.6
69.00625	1.6
69.01026	9.6
71.01389	72.0
72.99328	6.8
73.02962	3.9
75.00886	1.4
83.01411	4.6
85.01188	1.0
85.02967	17.5
87.00899	5.2
89.02457	88.4
90.02783	1.4
95.01404	5.8
96.96034	2.0
99.00902	2.6
101.02456	50.2
102.83014	1.1
113.02464	29.0
119.03517	44.7
123.08147	1.0
125.02460	1.6
131.03497	4.8
133.16464	1.0
135.02989	1.2
143.03458	6.1
149.04591	4.5
158.07829	1.2
159.06657	1.5
161.04565	9.3
163.11215	1.2
165.01950	2.1
179.05632	15.4
180.04311	1.5
191.05615	1.9
195.06671	4.6
205.12384	5.7
207.29251	1.1
243.08598	1.1
317.84311	1.1
385.18826	1.8
403.19757	8.1
404.20615	1.2
414.69800	1.1
434.85944	1.0
456.92200	1.0
530.07867	2.2
565.25159	67.8
566.25336	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	565.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03457	2.5
58.00572	1.3
59.01386	100.0
61.98826	7.9
63.26081	1.1
63.73605	1.2
67.53321	1.1
69.03448	1.3
71.01392	30.6
71.26870	2.1
72.99297	1.7
73.02959	9.0
75.00878	1.6
75.76450	1.2
83.01407	5.6
85.02961	15.2
86.00108	1.5
87.00884	3.7
89.02457	12.9
95.01395	3.8
97.02972	1.2
99.00872	3.2
101.02447	15.5
101.03040	1.6
111.00906	1.8
113.02471	18.7
119.03491	3.6
125.02440	2.8
131.03552	2.2
134.09760	1.2
135.03006	3.2
143.03517	4.4
161.04547	10.3
171.10297	2.0
179.05595	1.7
239.03386	1.3
253.09181	1.9
269.20984	1.2
287.22238	8.7
327.02512	1.8
329.23373	5.3
334.41290	1.2
341.08752	1.3
343.28540	2.9
361.29651	6.7
374.07983	2.1
375.08533	1.9
386.73422	1.4
389.02740	1.2
405.16766	1.3
430.29395	1.2
431.26456	15.2
431.72208	1.2
449.27771	9.3
461.31357	5.6
469.15549	2.2
473.27597	3.0
479.32376	2.2
491.28757	5.6
505.33896	45.0
506.34033	4.8
523.34900	4.6
548.99030	1.7
565.13470	3.8
566.14435	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	565.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.4
59.01390	24.0
61.98816	4.0
69.57450	1.2
69.80029	2.8
69.80440	4.3
71.01391	17.3
73.02963	6.0
83.01393	4.9
85.02963	8.9
85.06589	1.2
87.00868	3.8
89.02455	8.0
95.01390	1.9
98.21941	2.1
101.02462	13.4
113.02472	7.4
116.92850	7.7
119.03480	1.8
121.02945	2.3
125.02355	1.8
125.06098	2.3
135.04507	2.2
145.08716	4.4
149.02477	1.9
149.04544	1.3
150.03171	1.8
165.05583	2.1
183.13925	25.0
195.13889	3.5
293.21368	1.6
311.22247	8.7
329.23315	14.0
400.42761	1.6
469.25104	1.1
473.27509	6.0
491.28705	51.7
492.29065	6.7
505.33710	1.9
529.30249	26.1
530.30438	4.3
565.32373	100.0
566.32721	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	565.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.6
57.03457	2.5
58.00572	1.3
59.01386	100.0
61.98826	7.9
63.26081	1.1
63.73605	1.2
67.53321	1.1
69.03448	1.3
71.01392	30.6
71.26870	2.1
72.99297	1.7
73.02959	9.0
75.00878	1.6
75.76450	1.2
83.01407	5.6
85.02961	15.2
86.00108	1.5
87.00884	3.7
89.02457	12.9
95.01395	3.8
97.02972	1.2
99.00872	3.2
101.02447	15.5
101.03040	1.6
111.00906	1.8
113.02471	18.7
119.03491	3.6
125.02440	2.8
131.03552	2.2
134.09760	1.2
135.03006	3.2
143.03517	4.4
161.04547	10.3
171.10297	2.0
179.05595	1.7
239.03386	1.3
253.09181	1.9
269.20984	1.2
287.22238	8.7
327.02512	1.8
329.23373	5.3
334.41290	1.2
341.08752	1.3
343.28540	2.9
361.29651	6.7
374.07983	2.1
375.08533	1.9
386.73422	1.4
389.02740	1.2
405.16766	1.3
430.29395	1.2
431.26456	15.2
431.72208	1.2
449.27771	9.3
461.31357	5.6
469.15549	2.2
473.27597	3.0
479.32376	2.2
491.28757	5.6
505.33896	45.0
506.34033	4.8
523.34900	4.6
548.99030	1.7
565.13470	3.8
566.14435	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	566.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.4
59.01389	49.6
61.98846	28.3
71.01388	24.6
71.28053	6.3
73.02967	7.7
83.01442	5.6
85.02978	13.4
86.53336	4.9
89.02467	12.8
90.87815	4.9
101.02467	11.1
109.02995	4.9
112.35236	4.7
113.02481	9.3
115.36739	5.0
115.46501	4.8
116.92869	46.7
117.92912	14.6
119.03529	5.3
122.03775	6.2
137.02464	13.3
149.02437	5.6
150.03194	5.9
153.03516	4.7
160.01723	5.2
165.05605	26.5
166.02763	11.6
167.03331	6.3
175.04041	10.8
176.04381	5.0
177.61992	6.4
179.03435	5.8
181.05093	14.1
182.05382	9.8
193.05138	7.7
195.06610	8.7
207.06691	9.0
280.02295	4.9
310.32440	5.4
338.09610	10.3
361.16614	49.8
362.12878	6.2
389.11908	11.7
403.13907	20.6
404.14349	50.7
405.14328	5.7
523.21948	100.0
524.22009	11.1
566.19501	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	566.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97119	0.9
59.01384	39.7
61.87739	1.0
61.98837	100.0
71.01390	7.6
71.27843	1.7
73.02948	3.4
83.01408	1.2
85.02955	2.8
87.61785	0.9
89.02453	2.8
91.31536	0.9
99.00938	0.9
101.02447	3.5
111.69960	1.0
113.02457	3.8
123.80512	1.0
131.37572	1.0
137.23528	1.1
146.33438	1.0
161.04617	1.7
189.00784	1.0
189.72337	1.2
195.80260	1.1
319.59616	1.0
326.07684	0.9
399.23898	17.4
400.23975	1.7
417.25006	7.9
459.26050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96981	2.3
59.01386	69.6
61.98840	100.0
71.01390	10.0
72.58947	2.9
85.02940	6.1
101.02454	5.3
105.69875	3.0
113.02475	11.8
121.46181	2.4
128.43169	2.6
153.41481	2.6
369.92529	3.6
399.23846	17.0
417.24960	5.3
459.26334	3.2
505.33859	4.6
506.33978	6.5
534.12738	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68769	0.8
55.01873	1.0
57.03459	1.6
59.01386	78.1
60.01719	1.7
61.98837	100.0
64.46480	0.7
69.32248	5.7
71.01389	14.7
72.99332	0.7
73.02954	4.0
73.70735	0.7
75.00910	0.8
83.01424	2.3
85.02962	9.2
86.45239	0.8
87.00912	2.3
87.04558	1.4
89.02464	6.2
92.59980	0.7
95.01469	0.8
97.34440	0.7
99.00896	1.0
101.02464	10.1
101.06126	0.9
111.40863	0.8
113.02461	6.9
119.03574	1.6
120.32882	0.7
131.03545	1.6
143.03549	1.7
161.04643	2.6
179.05624	0.7
239.01529	0.8
255.19673	1.0
280.95392	0.8
362.30417	0.8
399.23868	13.8
399.28467	1.0
417.24957	12.0
432.27170	0.8
459.25955	3.6
469.15826	0.9
505.33972	1.9
506.34351	7.5
514.15161	0.8
566.34131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45909	2.2
59.01372	4.3
61.98516	5.5
61.98838	100.0
64.76529	2.2
65.26103	2.4
66.46881	2.2
71.28280	3.3
78.95899	3.8
86.44641	2.4
96.96040	7.3
102.44479	2.5
116.92869	4.9
135.83334	2.3
152.99611	3.5
166.19759	2.4
190.69141	2.6
253.21628	2.9
255.23289	5.0
266.74756	2.5
441.33704	2.6
470.57895	2.7
473.87936	3.1
503.34042	12.9
528.18134	3.7
531.36407	3.7
560.31311	2.9
567.29205	3.2
592.47394	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	567.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03447	1.0
58.00611	1.2
59.01387	47.9
60.01725	0.9
61.98835	3.0
68.99844	1.1
69.03469	18.1
71.01389	50.4
71.28109	1.3
72.99315	3.7
73.02947	4.7
78.95908	1.1
79.01901	4.1
81.03465	5.3
83.01400	4.2
84.01771	1.0
85.02962	18.9
87.00915	5.1
89.02460	51.3
93.03481	3.2
95.00835	1.7
95.01398	12.2
97.02957	14.3
99.00903	3.2
99.04538	1.1
101.02458	40.3
107.01415	8.6
108.02188	52.8
109.02972	65.5
110.03309	1.4
111.00883	2.8
112.98809	1.6
113.02457	23.5
119.03524	28.8
121.02970	22.7
123.00890	9.6
123.04498	1.2
124.01688	1.9
125.02455	31.8
131.03532	6.3
135.00905	18.4
137.02466	42.3
139.04106	1.9
141.01997	1.4
143.03542	6.4
145.01509	1.4
145.05092	1.2
149.02455	8.8
149.04593	2.1
151.00392	2.2
151.04076	1.2
152.01207	7.6
153.01964	100.0
154.02281	2.2
154.99886	1.3
159.03008	1.0
161.04556	8.2
163.03975	1.5
167.03505	5.4
169.06592	6.5
175.02483	1.1
177.01927	2.1
179.05621	12.0
179.07045	1.5
195.03035	3.0
195.06662	1.5
197.06097	36.5
198.06430	1.9
201.80182	1.1
209.08301	1.8
210.66725	1.0
213.05576	8.8
215.07123	4.6
221.06706	15.4
225.05626	1.8
243.06638	69.7
243.12187	2.2
244.07028	3.0
245.06729	2.3
263.07770	7.0
297.06131	6.8
323.09885	10.6
459.11469	41.5
460.11847	4.0
567.17291	3.1
567.27423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03460	1.1
59.01385	67.0
60.01714	0.8
63.12475	0.6
71.01388	6.0
72.99296	1.5
73.02950	2.3
75.00879	6.4
83.01398	0.9
84.64822	0.6
85.02948	1.9
85.83067	0.6
87.00891	2.0
89.02439	4.0
93.03432	0.8
99.00909	1.1
99.04554	1.8
101.02440	2.9
109.06569	0.6
111.00903	1.4
113.02489	1.7
115.39787	0.5
116.92872	6.2
117.01961	1.3
117.92882	2.7
118.92713	2.5
119.03500	1.1
125.02428	0.7
129.01938	1.0
130.98706	0.6
135.03017	14.0
137.02441	1.1
147.03021	1.7
149.02483	0.7
150.03224	2.8
165.04221	1.1
165.05580	3.2
165.12865	1.4
174.01701	0.7
179.05608	0.8
191.62431	0.6
195.06664	2.4
200.50063	0.6
207.13927	4.5
209.11824	7.2
225.14992	6.9
227.12910	46.3
228.13206	2.6
243.12405	1.6
251.12953	1.6
269.14001	13.8
270.14243	0.6
287.15027	63.7
288.15356	3.7
297.11679	0.7
375.16589	0.8
387.16537	3.3
405.17685	100.0
406.18054	8.1
417.17645	3.9
447.18762	0.7
449.20465	1.3
549.25916	0.7
567.25861	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	567.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89510	0.8
59.01381	10.2
61.98574	0.7
61.98838	6.8
69.03470	0.9
69.42029	5.1
71.01394	5.6
72.99338	1.0
75.00846	1.0
83.01397	1.2
83.05083	0.9
85.02947	2.0
89.02458	3.8
95.05055	0.9
98.21834	1.1
101.02460	2.7
103.28230	0.8
116.92873	7.4
117.92889	4.0
118.92678	4.1
119.03451	1.1
137.02478	1.9
149.02400	1.2
149.06071	1.4
150.03244	2.2
151.04031	6.2
161.02461	1.0
161.04634	1.9
161.06024	1.5
162.03238	24.7
163.03951	3.7
164.04784	1.1
165.01952	1.6
165.05608	2.6
167.07133	1.1
175.03937	1.0
177.05557	3.4
179.03499	6.3
179.05638	2.9
179.07187	2.1
180.04303	57.2
181.04761	1.9
187.04146	0.9
194.05902	1.1
195.06638	100.0
196.06972	4.7
208.03775	1.2
209.08180	2.0
217.30957	0.9
223.06114	3.0
225.07675	1.5
241.04303	0.9
243.12395	2.2
315.12570	1.1
316.22043	1.0
345.13162	1.1
357.12723	0.8
405.15518	4.6
406.16269	1.0
421.18726	1.5
567.21643	1.9
567.30164	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91607	0.3
55.01873	1.2
57.03452	1.6
58.00589	1.6
59.01385	31.6
61.98822	0.5
64.84139	0.4
67.46677	0.3
71.01388	33.4
72.01723	0.7
72.99319	2.0
73.02963	3.9
75.89410	0.3
83.01399	1.9
85.02959	9.7
87.00876	1.7
88.65675	0.3
89.02456	32.7
93.03471	4.2
95.01398	2.4
95.05035	0.5
98.21725	0.8
99.00896	1.8
101.02455	17.6
102.02802	0.3
104.10556	0.3
105.03478	0.6
109.02996	0.7
111.00914	0.3
113.02464	14.6
114.02868	0.3
119.03510	13.5
121.02983	5.5
122.03757	15.9
123.04494	0.5
124.01682	0.8
125.02450	1.0
129.01936	0.3
131.03528	1.4
132.02139	0.5
133.02936	1.6
134.03751	1.0
135.04570	1.9
136.01707	1.2
137.02518	0.7
137.06161	0.4
138.03235	0.5
139.04021	0.4
143.03526	3.8
146.03799	0.5
147.04495	0.6
148.01674	0.6
149.02461	40.2
149.04541	1.5
150.03244	100.0
151.03578	2.9
153.05579	0.8
159.03020	1.5
160.05313	1.0
161.02449	1.4
161.04585	9.3
161.05948	0.6
162.03334	0.4
163.04030	1.7
164.04807	12.0
165.05585	94.9
166.02724	0.9
166.05922	3.6
167.07195	0.4
177.05591	0.6
179.03539	2.0
179.05637	11.5
179.07140	1.3
180.04321	6.6
181.05035	1.0
185.41464	0.3
191.07199	0.8
193.08714	1.4
194.05876	1.3
195.06642	69.5
196.06973	2.5
209.08199	6.7
209.10056	0.7
210.08716	0.4
265.00464	0.4
299.09195	0.4
310.08521	0.6
313.10779	1.0
323.07825	0.8
327.08725	0.9
327.12311	0.4
342.11166	6.4
343.11691	0.4
357.13461	69.2
358.13858	5.7
360.12271	0.5
375.14490	1.8
387.14563	1.1
405.15643	7.2
406.15884	0.7
519.18774	2.6
537.19781	0.4
537.47095	0.4
567.21002	9.8
568.21033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09182	0.9
55.01870	1.1
57.03464	1.3
58.00602	1.3
59.01387	54.9
61.81615	0.9
61.98838	2.2
71.01390	33.7
72.99323	1.8
73.02979	4.8
75.00889	1.7
83.01402	2.4
85.02971	9.2
87.00865	1.8
89.02457	32.0
93.03477	3.5
95.01401	2.8
96.96022	1.6
98.21732	2.0
99.00890	1.4
99.04541	1.9
101.02462	15.8
105.03537	1.1
113.02462	13.8
119.03515	12.3
121.03017	6.0
122.03768	14.9
125.02502	1.3
131.03523	2.1
131.91310	1.0
133.02948	1.0
133.47966	1.0
134.03690	1.1
135.02982	3.0
137.02443	1.8
143.03513	2.8
149.02461	34.3
150.03249	100.0
151.03671	3.3
152.03613	1.1
153.05600	1.1
161.02419	1.5
161.04572	6.7
162.03220	1.1
163.04015	1.4
164.04819	13.6
165.05591	95.4
166.05992	2.6
174.15623	0.9
179.03545	2.0
179.05635	9.6
179.07074	1.6
180.04277	5.6
193.08781	1.0
194.05914	1.5
195.06648	66.7
195.25623	1.0
196.06998	3.1
207.13950	2.7
209.08232	10.0
209.11838	3.2
225.14969	3.3
227.12939	15.1
251.12854	1.4
269.13983	8.1
280.68750	1.0
286.16608	1.0
287.15060	25.7
288.15466	1.4
295.95764	0.9
342.11234	4.8
343.11694	1.6
357.13461	63.9
358.13727	6.2
359.17035	1.4
375.14734	1.7
389.18289	3.7
405.15048	4.6
407.27454	1.1
449.20419	9.4
507.20877	3.3
519.19031	2.7
567.22571	29.5
568.22455	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	567.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47715	3.3
59.01394	19.8
61.98835	30.0
70.71275	10.6
71.01369	9.2
85.02942	4.1
92.45469	3.2
96.96037	8.2
101.02490	4.6
111.90214	3.3
121.02959	17.7
122.03654	4.0
125.02440	3.1
135.04549	10.0
136.01669	32.7
137.02441	9.2
149.02478	18.9
150.03203	7.4
151.04034	32.9
161.06174	3.6
163.04002	8.2
175.04060	16.8
189.05676	8.1
190.06355	18.7
203.07025	3.4
236.04735	3.6
255.02867	4.0
285.04117	4.2
285.65536	3.6
299.09338	12.9
327.12463	4.4
357.13419	21.3
475.17447	16.7
487.17993	7.1
505.18710	100.0
506.19202	12.6
567.30182	5.4
588.43945	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	567.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45684	1.8
57.03461	3.3
57.97525	2.1
58.56304	2.0
59.01384	100.0
61.98849	4.7
70.28284	2.1
71.01391	33.5
71.26410	2.0
72.99287	3.4
73.02959	7.2
75.00874	3.7
76.19467	1.9
82.03178	1.8
83.01386	3.9
85.02956	9.3
87.00880	3.6
89.02451	26.6
92.49962	2.4
93.03488	3.5
95.05074	2.4
96.96057	4.0
99.00880	2.5
99.04539	5.7
101.02440	24.3
101.16534	2.4
113.02464	15.9
117.02106	2.5
118.99841	2.2
119.03520	12.6
121.02975	4.9
122.03745	8.2
133.02991	3.4
134.03792	2.4
135.03015	6.2
143.03513	3.7
149.02461	25.8
150.03249	69.1
151.04041	2.1
161.02444	4.2
161.04601	7.3
162.03253	2.9
163.04065	3.4
164.04817	9.2
165.05592	73.3
176.04813	2.4
177.05573	3.5
179.03551	6.9
179.05635	9.5
180.04308	4.8
194.05801	5.9
195.06664	53.7
207.13908	6.5
209.08278	18.5
209.11848	9.2
225.15022	10.3
227.12901	52.3
251.12941	5.6
269.13971	15.7
287.15018	77.1
298.73880	2.1
329.16068	8.1
342.11148	5.7
357.13464	50.3
358.13931	2.7
359.16928	3.8
375.14453	3.6
389.18158	12.0
405.17316	8.5
449.20410	16.3
507.20963	15.0
508.21576	2.7
567.22913	62.9
568.23126	7.6
583.15070	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11790	1.1
57.03439	2.1
59.01387	100.0
65.20891	1.2
69.03451	1.3
69.51949	2.3
69.52364	4.7
71.01376	5.4
73.02940	5.3
75.00863	3.6
83.01392	2.8
87.00903	1.8
89.02489	1.8
98.22433	2.0
99.04529	3.3
101.02455	5.8
113.02467	3.4
135.03015	10.4
165.12880	2.6
171.38029	1.3
207.13925	7.5
209.11862	10.0
225.14973	14.6
227.12918	62.4
228.13214	2.4
251.12842	2.9
255.66113	1.3
267.34296	1.2
269.13968	20.9
270.14374	1.4
287.15039	98.2
288.15375	5.3
293.13870	1.6
329.16266	2.6
348.20511	1.2
359.17181	3.8
369.85403	1.4
387.16656	2.7
389.18100	6.3
405.12396	2.6
405.17667	38.8
406.17935	3.9
449.20135	11.1
477.19925	3.6
506.10001	1.4
507.20908	8.9
549.21948	2.0
556.72089	1.4
567.22925	58.9
568.23309	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	567.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72201	8.8
59.01386	100.0
61.98822	11.9
71.01384	77.7
73.02943	22.2
83.01389	18.9
85.02959	34.6
87.00884	10.3
89.02452	28.3
92.99894	8.4
97.02958	9.3
98.22562	13.2
99.00895	9.2
101.02455	57.3
113.02453	46.1
119.03452	12.9
125.02508	9.3
128.45201	9.1
129.55023	8.8
131.03571	9.4
143.03555	9.1
148.04057	10.9
149.70213	8.7
161.04565	11.9
179.05583	14.8
221.06651	30.1
342.03192	9.5
342.11932	8.4
503.16290	26.3
535.19202	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49210	0.9
55.01884	4.7
57.03451	7.5
58.00594	4.4
59.01385	82.4
61.98830	2.5
69.13340	7.6
69.35830	0.8
71.01389	100.0
72.01712	1.2
72.99314	4.8
73.02952	19.0
75.00877	2.1
83.01392	9.7
85.02483	2.0
85.02969	32.0
86.00110	1.8
87.00890	14.8
89.02455	71.6
90.02737	0.9
95.01392	7.7
96.96033	1.0
97.02956	2.1
99.00892	7.1
101.02457	71.9
102.02802	1.6
108.53172	1.0
111.00901	1.4
113.02465	49.2
119.03519	36.4
119.58138	0.9
125.02464	2.6
125.06025	0.9
125.83791	1.0
129.01891	1.0
131.03522	14.8
135.04562	1.8
143.03525	14.1
149.02455	2.5
149.04553	4.0
150.03265	7.8
151.00357	1.5
159.02991	5.2
161.04576	36.9
162.05008	1.1
165.05542	6.0
166.02766	1.3
167.10820	2.4
179.05635	39.8
179.07227	2.2
180.06007	1.9
191.05659	1.1
192.00642	1.1
195.06624	3.6
201.27116	0.9
207.03040	2.2
209.08131	1.1
221.04507	2.4
221.06683	44.2
222.06989	1.0
247.75189	0.9
263.07700	8.4
284.59552	1.1
342.11029	1.1
357.09686	1.1
357.13516	5.9
369.08279	1.7
405.21301	16.7
406.21399	1.3
449.20279	2.9
539.79535	1.2
567.26636	68.7
568.26959	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30080	12.8
57.19146	9.9
59.01392	64.9
61.98833	19.6
64.62515	11.3
71.01380	37.7
71.28272	22.0
85.02954	20.3
91.23683	11.7
93.18894	11.2
97.81739	13.1
99.92644	11.4
101.02436	26.1
113.02450	16.8
147.31496	12.4
149.02455	34.7
161.04593	23.3
164.04817	18.6
192.64160	10.8
341.91422	12.0
426.87006	12.5
505.18799	91.8
506.18900	20.6
507.35431	100.0
508.35748	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	568.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52266	0.4
59.01381	0.9
61.98837	100.0
62.59461	0.4
69.19059	0.9
69.19467	2.9
98.21835	0.9
165.05629	0.8
167.07204	1.2
174.32837	0.4
195.06648	0.4
238.17194	0.4
245.51579	0.4
290.21808	0.4
312.05887	0.5
360.11804	0.6
405.15845	0.7
406.15967	2.1
451.54099	0.4
547.16925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91720	0.7
58.27168	0.7
59.01370	0.9
61.98839	100.0
70.90639	1.8
72.44798	0.7
83.12268	0.7
96.96037	0.9
118.41503	0.8
130.07216	0.8
185.86844	0.9
257.35306	0.8
312.44211	0.8
334.47705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.073
Annotation	Lupinalbisone A
Peak:m/z	Relative Intensity
53.74305	4.1
54.85369	5.7
65.00285	5.2
66.59809	4.3
69.40348	31.8
70.12437	4.4
89.93192	4.7
98.22507	6.5
109.03014	4.6
133.02963	18.9
151.00385	17.8
169.27930	4.6
201.01788	5.4
250.31442	5.1
255.02965	32.2
264.34610	4.6
283.02481	33.3
285.04089	82.5
391.04672	20.3
415.04489	5.0
417.06296	37.6
473.75818	4.8
539.31555	5.4
569.07379	100.0
570.07697	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31128	1.3
54.11712	1.3
57.03468	1.7
57.58047	1.3
58.00594	3.0
58.78754	1.5
59.01387	100.0
61.98839	3.3
65.03969	1.8
69.03453	2.0
69.09561	13.7
71.01397	18.9
71.77120	1.5
72.99306	5.5
73.02952	7.1
75.00841	1.6
79.51072	1.2
81.03462	7.0
83.01411	5.3
83.05026	3.8
85.02956	49.0
87.00904	4.2
89.02454	7.7
91.70789	1.4
91.97843	1.4
93.03472	10.7
95.01396	24.9
95.61978	1.3
96.71064	1.5
96.96001	2.0
97.02962	2.3
98.21739	2.7
99.00883	4.3
99.04532	8.7
101.02455	10.4
103.04021	3.9
108.02202	3.0
109.02966	20.7
111.00878	13.3
111.04501	2.2
113.02469	20.7
115.00396	3.3
119.03503	5.3
121.02986	1.8
123.04493	2.4
125.02467	2.9
127.04031	31.3
127.63326	1.6
135.04582	1.6
137.02473	6.3
137.06139	1.4
139.00391	27.2
139.03990	3.1
141.05557	4.0
145.01436	2.6
145.05095	14.4
147.49918	1.4
149.02454	2.8
150.68100	1.6
151.03973	2.0
153.01917	2.8
155.03523	15.2
157.01471	3.2
163.06105	3.0
169.05087	5.7
171.03085	4.3
174.01726	2.1
175.02550	3.5
179.03638	2.2
181.01312	3.5
184.03186	1.4
191.05687	4.0
193.05057	3.6
199.02505	48.0
200.02934	1.6
207.06635	2.1
233.04709	2.2
241.03563	1.9
241.07257	3.0
273.66443	1.5
285.06073	7.1
289.07175	2.0
301.05862	2.1
303.07483	1.6
307.08365	9.4
335.00708	1.6
345.08310	14.2
363.09488	2.2
387.09448	13.4
398.62854	1.6
405.10385	10.3
431.41977	1.6
454.12863	1.4
465.12451	7.8
469.13452	3.3
513.12177	2.2
551.16278	3.4
569.18121	5.9
570.27466	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	569.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11153	3.4
59.01382	27.1
61.98837	45.0
69.51128	8.3
69.51540	15.7
71.01390	22.1
72.97546	5.5
83.01390	11.4
84.92681	3.7
85.02956	6.9
89.02457	16.6
98.21861	7.6
101.02467	9.5
101.22807	3.9
111.84859	4.5
113.02458	6.7
119.03549	6.0
122.03771	9.3
127.00366	4.8
130.04361	4.5
134.03772	11.4
135.04547	5.1
146.03738	6.6
147.04482	28.9
149.02431	21.2
149.06108	19.7
150.03294	39.2
151.03664	15.1
152.03769	8.6
161.04604	5.5
161.06126	5.9
163.04002	11.6
164.04788	16.3
165.05606	100.0
166.02773	8.2
166.05934	15.7
167.06110	6.2
179.05711	7.5
179.07118	31.9
180.04260	5.1
181.05019	5.9
187.41069	3.9
192.22153	4.1
195.06659	27.0
196.07028	13.2
197.07242	5.5
209.08249	6.6
219.06670	6.7
231.99522	4.6
294.07806	4.2
305.92294	4.2
313.11008	19.4
343.12073	15.5
355.11954	4.6
357.13470	11.3
358.13785	10.4
359.14233	23.2
361.12946	10.5
521.19214	6.9
569.19489	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	569.1899
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
50.99277	0.7
54.37561	0.7
55.01857	0.9
56.23736	0.8
59.01141	0.8
59.01392	10.4
68.99813	1.3
71.01393	8.8
71.27044	0.8
72.99298	2.5
73.02978	1.1
75.00880	4.1
83.01407	1.6
83.05108	0.7
84.01401	0.9
85.01044	6.0
85.02970	3.7
87.00901	1.7
88.98817	1.4
89.02464	3.6
91.05545	1.2
95.01395	1.8
99.00890	2.3
99.08138	1.0
101.02464	5.6
103.00358	1.3
112.98842	5.9
113.02463	6.3
115.00380	0.8
115.02094	2.0
117.01967	1.1
119.03551	1.5
121.02975	2.0
127.02071	1.4
131.03503	1.0
134.03714	0.8
135.04533	0.8
136.01656	1.5
143.05234	1.2
145.01451	10.2
145.03169	1.7
149.02521	0.9
150.03342	1.5
151.04007	2.4
153.01958	2.8
154.99837	1.2
157.01424	2.1
157.03102	1.4
159.02937	1.0
160.17958	0.7
161.04489	1.0
163.03986	3.5
165.01929	2.4
165.05603	1.5
178.02689	1.4
179.05602	1.0
185.04556	2.0
187.02486	0.9
187.07866	1.1
193.05101	1.7
199.78952	0.7
205.05113	0.8
260.57352	0.8
263.05997	0.9
273.04279	0.8
275.00302	0.7
333.06125	1.8
349.13168	12.1
363.14694	1.6
421.11383	1.1
451.21722	2.0
520.14832	0.8
526.85529	0.8
537.16528	1.0
569.18988	100.0
570.19128	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85163	0.2
56.02703	0.2
59.01396	1.2
69.34402	0.8
69.34830	0.7
71.01374	0.4
73.02950	0.6
74.08824	0.2
75.00867	1.3
76.35307	0.2
86.14022	0.2
87.00888	0.2
89.02438	0.4
89.08575	0.2
89.87148	0.2
94.98084	0.4
99.00900	0.5
99.92596	8.3
100.92646	0.4
108.02201	0.2
111.00894	0.3
116.92876	100.0
117.01964	1.1
117.92891	3.4
119.03511	0.2
123.04506	0.2
149.02463	0.6
150.03221	1.1
151.03995	0.3
152.01152	0.5
165.05583	1.4
167.03519	0.8
182.79716	0.2
195.06638	0.9
343.11957	0.3
359.14908	0.6
484.13052	0.4
521.18286	0.3
541.60211	0.2
597.04639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98837	100.0
68.18171	0.2
69.01189	1.9
71.01393	0.7
71.08858	0.2
72.99310	0.2
75.00926	0.2
85.03001	0.2
89.02463	0.4
91.00580	0.2
96.96098	0.3
101.02460	0.4
112.28948	0.3
116.92935	0.6
131.78728	0.3
132.39299	0.2
138.02020	0.5
139.55072	0.3
147.04593	0.4
149.02565	0.4
150.03151	0.4
154.39296	0.3
169.53166	0.2
214.99438	0.3
285.04276	0.3
329.14001	0.3
330.14468	0.3
388.44928	0.3
435.38614	0.3
470.65652	0.3
477.19708	0.4
478.19580	3.3
479.19421	0.3
489.24918	0.3
508.20871	0.5
570.08209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13907	1.1
58.96284	1.2
59.01386	24.2
59.68330	1.0
61.98845	11.1
69.04832	11.4
71.01389	10.3
73.02951	10.3
75.00869	1.1
77.89776	1.1
83.01380	2.4
83.04292	1.2
85.02959	2.6
87.00913	2.5
88.04048	1.6
89.02447	4.0
93.03464	4.6
96.96021	2.4
99.04543	1.6
101.02464	14.4
108.02197	2.6
109.02973	1.1
113.02451	5.2
116.92861	4.0
117.03466	2.3
119.03472	3.0
119.05050	2.3
121.02956	9.1
122.03756	13.4
123.04536	4.4
123.48619	1.2
128.03578	1.6
131.03513	2.1
133.02983	1.7
135.04521	3.3
136.01657	1.6
139.00392	2.9
143.03488	1.8
144.31097	1.1
145.02982	7.8
146.03758	68.6
147.04451	5.0
148.05142	1.2
149.02452	55.7
149.04424	2.4
149.06094	1.4
150.03249	73.0
151.03835	2.9
152.52496	1.1
154.02745	3.4
161.02403	1.4
161.04613	3.9
161.06099	16.2
162.03242	1.7
163.03975	6.2
164.04807	58.2
165.05585	85.1
166.05933	3.7
169.05090	3.2
175.04059	3.6
177.05591	2.8
179.07159	100.0
180.04265	5.7
180.07509	4.7
181.04926	1.3
191.05623	1.4
195.06641	61.2
196.07027	4.0
241.10912	1.3
254.06055	1.0
255.03110	2.9
259.17020	6.9
267.06534	2.1
268.07324	1.4
269.08286	2.5
270.08844	1.5
285.07748	1.7
298.08563	3.1
312.10159	5.0
313.10837	5.0
327.12421	19.4
328.09399	1.6
328.12857	1.5
343.11871	57.2
344.12350	5.1
344.92548	1.2
354.90942	1.4
391.13889	4.5
523.19812	19.9
524.20294	3.6
571.21265	1.9
571.95819	5.0
584.74725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93484	1.5
55.01883	1.6
58.00585	4.0
59.01388	100.0
60.35029	1.5
61.98823	1.5
71.01391	61.0
72.99305	4.0
73.02968	6.6
83.01380	2.5
85.02969	7.8
87.00881	6.0
89.02457	96.8
98.21817	3.8
101.02457	46.8
101.03131	2.4
113.02472	10.1
119.03523	6.2
131.03519	35.2
135.02995	1.8
139.52307	1.7
143.03513	2.8
149.04579	81.5
161.04582	1.7
179.51605	1.5
191.05663	17.2
255.03069	1.9
256.03564	3.1
257.03824	1.9
283.02646	2.4
284.03201	6.5
285.03488	6.1
286.03848	4.2
293.09018	2.3
310.30325	1.6
383.10928	1.7
409.08560	1.6
571.31555	2.3
574.68665	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	3.4
59.00088	1.5
59.01385	100.0
61.86913	1.4
61.98838	1.5
69.46387	1.6
71.01389	68.7
72.99324	5.8
73.02963	10.7
77.84770	1.4
78.48859	1.4
79.01601	1.8
83.01401	4.3
85.02489	2.0
85.02941	8.8
87.00892	7.0
89.02455	99.6
90.02818	1.4
101.02455	48.4
102.02785	1.5
112.17614	1.6
113.02454	8.4
119.03514	4.8
131.03528	34.8
135.02994	2.9
140.30605	1.4
143.03612	2.3
149.04572	89.2
150.04913	1.5
170.55791	1.6
177.37534	1.7
191.05641	14.8
255.03110	2.0
256.03607	2.0
257.04059	2.1
258.04218	2.4
269.60886	1.5
283.02518	3.4
284.03238	5.9
285.03601	7.5
286.03931	5.2
409.08139	1.8
571.31122	4.2
599.15399	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	571.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27267	1.8
59.01379	5.5
59.37624	1.8
61.98825	3.9
69.11465	2.5
69.11787	17.2
78.95911	52.4
91.37587	1.9
96.96967	13.3
109.68139	2.1
151.79535	1.7
152.99600	51.3
241.01169	26.2
255.23312	64.9
256.23740	4.8
280.19174	1.8
315.04916	8.3
391.22614	6.3
473.32620	5.5
571.28870	100.0
572.29504	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	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67322	0.7
54.36487	0.6
55.63139	0.6
56.61834	0.7
60.58239	0.8
62.60270	0.8
69.09547	3.4
69.09972	3.3
78.95914	73.1
82.83298	0.7
87.04719	0.7
90.73384	0.6
92.92836	1.3
96.96972	14.5
117.12358	0.6
134.98566	0.9
138.95056	0.7
150.98119	1.0
152.99611	70.5
153.99887	1.2
156.36154	0.7
156.37843	0.7
171.00661	1.0
223.00110	2.4
233.98027	0.7
241.01208	33.9
242.01620	1.0
255.23325	87.9
256.23615	6.5
315.04929	11.6
369.16187	0.8
391.22641	6.6
409.23566	0.8
571.28925	100.0
572.29041	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	573.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	74.0
60.48307	9.0
68.95960	46.2
68.96386	56.3
71.01384	100.0
77.28977	10.2
85.02954	20.3
87.00898	11.4
89.02451	50.5
94.05492	11.5
101.02457	22.6
105.03468	24.8
109.02983	13.1
113.02461	34.3
119.03513	18.9
135.04520	30.8
136.73187	8.9
149.02417	16.9
150.03285	19.5
161.04550	14.5
164.04817	9.9
165.05557	27.2
171.66791	10.7
177.02013	11.5
179.03502	34.5
179.05728	14.6
191.05617	11.1
195.06683	14.7
215.09297	15.6
231.10243	36.5
327.12451	35.5
351.00214	11.7
365.59610	9.7
368.48923	12.0
375.14447	15.8
494.79315	10.4
529.73340	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	573.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03433	0.3
59.01383	14.1
59.34852	0.3
60.29892	0.3
60.75205	0.3
61.98811	0.4
65.27098	0.3
71.01390	4.1
72.99313	2.9
73.02961	2.2
75.00878	27.5
83.01369	0.9
85.02947	0.8
86.58329	0.3
87.00879	0.8
89.02459	5.7
99.00900	0.4
101.02470	2.2
110.11631	0.3
112.98814	0.4
113.02440	1.1
115.00469	0.3
117.01950	2.0
119.03544	0.7
127.00377	0.5
128.48044	0.3
129.01984	0.4
135.03011	100.0
136.03358	1.4
137.09738	0.5
149.04550	0.4
154.99896	1.2
158.94229	0.3
161.04556	1.0
195.61754	0.3
225.08051	0.4
285.04092	0.4
287.14957	0.3
417.17740	0.4
466.48248	0.3
573.22253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
58.00613	6.7
59.01385	100.0
67.01894	13.0
68.99837	6.4
69.03469	10.4
70.58669	6.0
70.58985	10.0
71.01389	88.0
72.99316	10.0
73.02948	12.0
81.03477	5.9
83.05029	8.3
85.02946	32.2
85.06610	31.6
87.00871	8.4
89.02457	66.9
91.05550	7.1
93.03482	16.1
95.01377	6.6
95.05033	17.2
97.02955	5.3
97.06602	12.5
99.67511	4.7
101.02474	42.5
102.37270	4.9
105.03460	19.9
107.05053	35.9
109.02968	22.0
109.06580	6.4
111.04517	8.4
113.02455	42.0
115.07688	22.3
119.03515	26.5
119.05049	6.5
121.02946	9.1
123.04553	6.3
125.06114	22.3
125.20842	5.5
135.04581	8.0
137.06113	6.5
143.05058	8.0
143.07146	76.8
145.06627	9.6
147.04539	4.6
150.05070	5.3
157.06561	8.3
158.03735	15.3
161.04579	18.4
163.03941	5.4
171.04587	6.9
172.05266	6.5
173.09676	6.0
179.05692	5.4
191.05687	13.1
201.09222	9.9
213.09236	11.6
221.06494	7.8
231.10284	71.1
249.11307	26.3
267.06482	6.4
273.11646	6.0
305.12408	7.3
367.46576	4.9
392.46051	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	573.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57581	1.5
55.01881	8.1
57.03452	4.6
58.00597	2.5
59.01385	100.0
61.98820	1.6
64.65242	1.6
71.01389	78.2
71.28433	1.7
72.99326	5.4
73.02956	14.8
75.00892	3.6
83.01389	22.8
84.29645	2.0
85.02954	22.1
86.00079	1.6
87.00882	22.3
89.02456	60.9
95.01417	5.0
97.02941	2.1
99.00913	9.8
99.04520	2.4
101.02457	53.2
102.89057	1.8
106.74197	1.5
111.00885	7.6
112.98808	14.6
113.02462	30.2
115.00383	3.8
115.92104	2.6
116.92856	8.0
118.99210	1.4
119.03529	28.1
124.98756	1.5
125.02425	2.6
127.00368	5.0
129.01965	9.2
130.99922	2.2
131.03523	16.1
135.03055	3.9
142.99895	2.9
143.03491	8.4
145.01451	8.1
147.02995	10.9
149.02438	2.7
149.04541	2.5
150.03241	3.0
154.99875	32.6
159.03006	2.8
161.04572	30.4
166.06421	2.2
173.00961	2.2
175.02470	1.7
179.05632	63.6
179.07227	3.3
191.05524	2.6
209.11865	3.9
221.06689	54.0
225.14966	5.0
227.12932	13.0
260.61292	1.4
263.07755	11.6
269.13956	4.6
287.15024	14.6
301.08398	1.5
370.88229	2.0
399.16599	3.7
417.17538	16.4
445.17136	6.7
452.65991	2.0
453.54553	1.9
550.37280	1.8
573.18341	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	573.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	4.8
58.17701	2.2
59.01367	5.7
70.38924	6.2
71.01380	4.1
73.04063	9.8
74.02488	2.9
82.03004	5.5
85.02920	3.0
86.78127	2.0
89.02460	3.5
97.04098	2.3
98.02496	3.5
112.05180	3.3
113.02453	3.5
115.05154	14.3
116.07196	48.1
123.05660	6.2
124.04055	4.3
125.03626	5.4
126.02074	3.4
126.05626	3.2
127.05155	15.7
130.06230	6.5
132.47835	1.9
135.04544	4.0
144.07825	3.9
154.06224	3.7
155.08292	3.2
166.06232	24.0
171.15065	26.0
172.07318	2.5
179.03503	6.3
180.07790	2.6
183.08969	3.0
184.07301	9.3
186.12445	2.6
191.64236	2.4
196.07291	2.4
197.12991	5.5
198.08719	2.1
198.99413	1.8
201.09952	6.7
215.14020	7.2
225.10002	14.3
226.08337	5.6
228.17233	18.1
243.11011	26.1
272.16287	6.4
273.12387	2.3
285.19339	3.5
300.13181	2.7
383.19339	3.1
400.21994	6.5
406.79202	2.2
492.71967	2.6
499.25266	43.3
500.25601	3.5
511.25430	7.4
529.26349	95.0
530.26642	9.8
543.28198	17.6
555.28021	5.0
573.28943	100.0
574.28937	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	573.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75051	0.4
55.27473	0.4
56.50406	0.4
59.01389	12.2
69.84866	1.9
71.01391	2.3
73.02952	0.9
76.48196	0.4
85.02934	0.6
87.00856	0.5
89.02468	2.5
101.02444	2.7
105.72042	0.4
113.02461	1.1
125.10120	0.4
157.20688	0.5
158.93108	0.5
161.04572	1.4
181.40381	0.4
235.08275	1.7
242.06737	0.5
247.99857	0.5
253.09323	15.3
254.09680	0.7
277.21747	100.0
278.22104	5.4
298.96860	0.5
542.29755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13886	0.3
54.91800	0.3
55.16764	0.3
59.01382	1.0
59.49659	0.3
61.98836	100.0
71.01382	0.8
72.99326	0.3
85.02987	0.4
89.02483	0.9
101.02467	0.4
105.31350	0.3
106.79319	0.3
111.87303	0.3
113.02505	0.4
142.28851	0.3
149.04599	0.4
162.77748	0.3
184.80185	0.3
240.73705	0.3
281.75345	0.3
439.03073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	0.6
59.01383	7.7
60.99325	0.6
61.98822	1.5
63.02399	0.9
63.79225	0.6
67.93459	0.5
71.01392	8.3
71.26500	0.7
71.28850	0.6
73.02940	1.8
75.00882	0.7
83.01378	1.0
85.02959	8.8
87.00890	2.3
89.02464	4.8
93.03472	4.1
94.74004	0.5
101.02472	5.2
109.02971	2.0
111.04530	0.8
113.02477	4.3
119.03506	2.5
119.04996	0.6
125.02472	1.2
126.90424	3.8
127.04070	1.5
134.03726	2.2
135.04514	2.7
143.03558	0.7
144.83234	0.7
145.02965	1.2
146.03731	1.7
147.02997	1.0
147.04504	2.0
149.06082	1.1
150.03206	1.9
153.05571	1.2
154.99863	1.6
157.02939	1.0
161.02399	1.3
161.04565	2.3
165.01923	1.1
165.05516	2.2
173.04590	2.0
175.04059	0.8
178.02681	1.2
179.03532	3.3
179.05615	2.4
180.04192	0.8
181.05022	0.8
183.04326	0.8
185.02325	0.7
187.04034	1.5
191.05646	40.6
192.06052	1.6
193.05078	6.1
195.06635	1.7
197.06129	1.7
209.06096	1.9
221.06642	1.0
225.05573	2.3
228.00580	0.9
229.01454	9.1
235.04022	1.3
236.04791	0.8
237.05537	2.5
239.03557	0.9
239.10814	1.1
244.00208	2.2
253.05058	5.2
263.03470	3.3
264.04208	1.8
265.05057	5.0
266.05630	1.2
271.06250	0.7
279.06625	1.3
280.03769	1.5
280.07172	1.1
281.04565	28.0
281.07715	1.4
282.05130	3.8
284.03134	0.7
285.04166	1.7
291.03098	0.9
292.03830	0.9
293.04562	2.6
295.06168	1.2
296.06906	13.1
297.07581	3.8
307.06049	1.1
309.04016	6.0
311.09280	9.5
313.04016	0.6
313.10846	1.7
323.05670	1.0
324.06366	4.9
339.08826	10.4
353.03165	1.1
368.05283	1.7
383.07764	100.0
384.08069	6.4
427.17731	1.5
427.33789	0.7
441.87363	0.6
447.09155	0.8
449.28452	0.6
575.26935	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
59.01389	10.4
61.98830	1.2
69.00338	4.6
69.00765	2.8
69.28889	0.8
71.01392	9.1
73.02955	2.1
75.00870	1.2
83.01391	2.0
85.02959	9.8
85.62239	0.8
87.00888	2.6
89.02452	6.2
93.03463	4.6
99.00878	1.2
101.02460	6.1
109.02966	1.5
111.04519	1.3
113.02443	3.8
119.03500	3.4
123.00910	0.7
126.90408	3.5
127.04031	1.0
131.03523	0.9
134.03754	3.1
135.03041	1.2
135.04550	2.9
137.02484	1.0
146.03767	2.4
147.04547	3.8
149.02492	0.8
149.06053	1.1
150.03249	2.4
154.99884	2.4
157.03020	1.5
159.04482	0.8
161.02463	1.2
161.04576	2.4
165.02017	1.0
165.05602	2.0
173.04564	2.1
175.04007	1.2
176.04892	0.8
178.02727	1.1
178.93221	0.7
179.03484	1.5
179.05663	3.2
181.05098	1.1
182.52534	0.8
187.04068	1.6
191.05630	39.6
193.05103	8.7
195.06593	1.5
197.06122	1.0
202.06387	0.7
209.06119	1.5
221.06720	1.6
225.05594	1.8
228.00650	1.1
229.01439	8.1
235.04050	1.3
237.05542	2.2
244.00223	2.1
253.05081	7.0
263.03552	2.5
264.04276	1.9
265.05054	5.4
267.06699	0.9
269.04678	1.0
270.05396	1.0
279.06528	1.1
280.03979	0.9
281.04578	24.5
282.04953	4.3
285.04114	1.4
291.03088	1.1
292.03680	1.1
293.04648	3.1
295.06293	2.0
296.06952	13.0
297.07611	5.0
307.02243	0.9
309.04126	7.0
311.09314	11.2
312.09720	1.3
313.11069	1.2
324.06442	4.7
329.09998	1.1
339.08728	11.6
353.03162	1.4
368.05621	3.0
383.07767	100.0
384.08051	7.7
401.09012	0.9
413.21817	1.6
447.09378	1.3
531.15729	1.2
533.26025	2.1
575.27869	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	575.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.0
61.98830	6.3
62.65292	2.0
69.67500	8.1
71.01387	14.7
72.99332	3.0
73.71114	1.7
75.00877	27.9
83.01414	2.2
85.02974	3.3
87.00871	3.8
89.02460	15.0
93.03474	2.7
96.96014	2.7
101.02455	6.4
111.00910	2.7
113.02432	4.0
117.01938	6.3
119.03522	3.5
119.05042	19.8
121.02905	2.0
125.02467	2.9
131.07147	9.7
135.03017	100.0
135.04613	4.8
159.37451	2.2
163.04028	50.8
164.04419	2.3
179.05595	2.6
191.05669	5.6
200.82423	2.3
281.06787	8.3
293.12488	27.2
310.91238	2.2
596.46478	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	575.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03457	0.6
57.24518	0.3
59.01387	21.9
61.98834	1.2
64.63549	0.3
66.06818	0.3
71.01389	6.8
72.99322	3.4
73.02962	1.4
75.00881	30.4
76.01228	0.4
83.01422	1.5
83.05020	0.3
85.02964	1.7
87.00899	1.0
89.02452	7.7
95.01420	0.7
96.96017	0.7
98.21813	0.7
99.00901	1.3
101.02447	2.7
111.00915	0.4
112.98792	0.7
113.02501	1.8
116.92884	0.9
117.01964	1.5
119.03510	1.1
119.36832	0.3
125.02472	0.3
135.03017	100.0
136.01704	0.4
136.03354	1.8
145.01457	0.7
154.46164	0.3
154.99887	0.6
159.02966	0.3
161.04582	0.9
169.43394	0.3
173.00874	0.3
179.05612	0.7
191.05629	0.6
195.92381	0.3
266.72223	0.3
267.08246	0.3
269.13925	0.8
285.04056	0.8
371.20789	0.7
413.21902	0.9
419.22964	0.7
531.28406	1.0
575.23309	1.8
575.33240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
57.03437	7.4
58.00610	5.4
58.42879	2.1
59.01099	5.3
59.01388	89.5
61.98837	15.1
65.03958	4.2
67.01881	5.1
69.03490	4.7
69.58479	14.3
70.07253	2.1
71.01393	100.0
72.99303	6.7
73.02958	15.9
74.20380	2.4
75.00852	2.9
77.03967	3.1
81.03471	4.4
83.01393	11.7
85.02966	52.3
87.00887	14.8
89.01954	4.7
89.02461	53.1
91.05534	3.1
93.03463	14.9
95.01405	11.5
95.05014	3.5
97.02959	5.5
99.00896	10.8
101.02461	61.3
105.03461	10.8
107.05021	22.5
109.02965	3.5
109.06557	3.7
111.00893	4.9
113.02469	53.3
113.06175	2.4
119.03494	20.6
119.05054	14.6
121.02934	3.3
121.06640	4.5
123.04521	5.9
125.02441	6.0
131.03520	3.5
133.06650	2.7
135.02954	3.8
135.04553	22.8
137.02444	2.8
137.06104	5.4
138.08981	2.9
143.03546	8.4
145.08777	2.7
153.05574	2.9
159.03018	4.0
161.04596	28.4
179.05634	16.3
191.05708	3.8
215.10785	3.0
221.06796	4.4
233.11871	18.1
238.14175	2.6
251.12982	8.3
263.46738	2.6
281.89865	2.9
307.14081	42.7
323.09842	8.7
368.00906	2.6
395.17224	26.5
403.61758	2.9
411.17178	2.9
413.18179	3.9
419.54742	2.7
557.22241	8.6
575.22601	4.7
588.41925	3.3
600.52777	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	575.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.2
57.03451	2.6
58.00604	2.2
59.01386	100.0
60.01722	1.0
61.95873	0.5
69.03471	1.3
69.29469	3.7
71.01391	51.0
72.99321	2.3
73.02959	16.2
75.00887	1.2
83.01393	5.4
85.02962	13.7
87.00880	4.3
89.02457	42.6
95.01393	4.1
96.96024	0.6
97.02968	1.3
99.00896	1.8
101.02459	33.4
102.02800	0.7
106.32306	0.5
111.00936	0.6
113.02463	32.7
114.02813	1.0
117.90631	0.5
119.03519	17.8
125.02489	2.1
127.00443	0.6
129.01942	0.5
131.03522	4.7
135.03035	0.5
143.03529	5.3
147.03026	0.6
149.04564	3.0
161.04579	10.5
179.05617	12.6
191.05627	1.4
193.05083	0.7
221.06689	1.2
287.14978	0.5
342.09933	0.5
413.17630	2.8
449.78046	0.6
515.25067	9.5
516.25452	0.8
533.26129	7.9
534.27094	0.8
575.27350	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
57.03445	1.7
58.00611	1.7
59.01386	100.0
60.01722	0.8
62.95134	0.3
69.41142	1.1
69.41553	0.5
69.42305	0.3
71.01390	47.5
72.01752	0.6
72.99327	2.2
73.02954	9.3
75.00877	0.5
80.72929	0.3
81.65624	0.3
82.94395	0.3
83.01402	3.5
84.02188	0.4
85.02579	0.3
85.02961	14.4
87.00879	3.0
89.02457	36.6
90.02798	0.6
95.01398	5.1
97.02967	0.7
97.90202	0.3
99.00894	2.3
99.04531	0.5
101.02457	26.4
107.55819	0.3
113.02466	31.2
114.02814	0.7
115.00410	0.3
118.98117	0.5
119.03520	18.1
120.03849	0.5
124.01645	0.4
125.02451	1.0
131.03522	2.6
143.03517	4.6
149.04585	2.0
154.99850	0.3
161.04581	8.8
162.04927	0.3
179.05630	10.6
191.05522	0.5
221.06671	0.4
296.01563	0.3
309.36978	0.3
323.17383	0.3
353.19681	0.6
387.95850	0.3
437.44095	0.3
515.25000	13.0
516.25317	1.7
533.18628	0.5
533.26062	8.8
534.25897	1.1
575.26483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32670	1.6
54.52454	1.7
54.82628	1.5
59.01385	23.5
61.98824	2.2
63.62803	1.5
71.01390	2.6
95.57927	1.3
101.02491	1.9
108.02187	6.8
109.02993	2.8
113.02441	1.9
131.03865	1.5
135.73006	1.7
144.38922	1.6
152.01178	5.0
199.21169	1.6
235.08308	1.6
253.09351	13.2
279.23318	100.0
280.23660	6.9
575.28796	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	576.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03445	4.4
58.00593	3.3
59.01387	100.0
59.97739	1.4
60.01716	3.2
62.84035	1.2
71.01394	61.3
71.27374	1.5
72.01728	2.2
72.99303	3.4
73.02951	7.9
73.18822	1.3
74.99097	2.4
75.00858	1.4
83.01398	5.9
85.02961	13.9
87.00882	7.2
89.02455	75.4
90.02783	2.2
95.01379	5.5
97.02963	1.8
99.00910	2.3
101.02459	37.6
101.03115	1.9
111.00894	5.3
113.02460	27.1
114.02792	2.6
118.98108	17.3
119.03515	27.4
125.02444	4.6
128.03539	1.5
131.03532	8.3
135.03040	2.3
143.03516	5.6
147.03003	3.3
149.04587	15.3
161.04584	10.6
179.05629	21.4
180.05972	2.7
191.05606	5.1
239.42873	1.4
249.09871	2.1
415.15945	3.3
451.28580	3.9
459.22955	2.2
489.18115	6.9
516.25476	3.0
517.31604	12.6
533.18439	2.0
533.26166	26.9
534.26654	5.4
577.20984	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	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18719	0.7
55.84917	0.7
59.01386	0.9
61.02938	0.7
61.98836	100.0
68.55691	0.7
71.01405	1.5
75.77577	0.7
78.98607	1.2
79.95770	3.0
80.96521	13.8
80.96986	1.0
94.98120	3.2
106.98123	0.8
128.58861	0.7
129.59756	0.6
134.97606	1.3
148.99210	1.6
164.98682	2.0
174.10651	0.6
225.00842	2.5
233.90518	0.8
312.65738	0.7
577.26978	23.0
577.35571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98809	0.5
58.56175	0.4
58.80296	0.4
60.16137	0.5
61.98839	100.0
62.02789	0.6
62.69919	0.5
69.06089	4.6
71.01418	1.2
78.95927	1.3
78.98608	0.8
79.95760	1.6
80.96529	9.8
80.96979	0.7
85.02996	0.6
94.98138	2.2
98.21811	1.0
101.02522	0.5
121.21376	0.4
122.97601	1.1
125.02472	0.7
148.99167	0.8
152.98654	1.1
164.98756	1.4
187.36858	0.5
225.00731	2.9
277.21875	0.7
465.21170	0.5
570.02484	0.5
577.26996	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42654	2.6
59.01378	17.3
68.98788	19.0
78.95905	8.0
277.21741	100.0
278.22061	8.8
282.23117	2.1
318.12872	2.2
431.47290	2.8
502.29425	30.7
523.32825	2.2
526.88989	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07330	0.8
59.01387	25.9
61.98817	1.9
69.22924	4.2
69.23344	2.4
78.95914	25.2
90.24096	0.7
152.99603	5.8
168.04356	3.3
224.06966	9.0
242.08040	3.4
256.65143	0.9
269.04578	1.1
277.21744	100.0
278.22079	7.6
315.64532	1.0
381.54645	0.9
409.52917	0.9
481.92035	0.8
502.29456	67.7
503.29675	8.1
576.32806	1.7
577.33820	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	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.1
59.01386	1.5
63.02395	1.4
65.00310	0.7
67.91331	0.1
71.01390	1.5
72.99290	0.1
73.02954	0.3
83.01369	0.3
85.02951	0.4
87.00909	0.2
89.02453	1.2
90.02754	0.1
93.03472	0.3
94.61721	0.1
99.31939	0.1
101.02447	0.9
105.03516	0.1
107.01402	1.5
113.02458	0.5
117.03473	2.7
119.03512	0.5
120.99726	0.1
121.02995	0.1
131.03525	0.2
135.02864	0.1
135.04541	0.2
149.02455	0.6
151.00391	0.7
157.06596	0.2
159.04524	1.1
161.02461	0.8
161.04596	0.4
165.09499	0.1
169.06610	0.4
171.04497	0.2
179.05626	0.5
180.05855	0.3
181.06563	0.4
182.03738	0.1
183.04488	0.7
195.04503	0.1
196.05324	0.2
197.06139	0.5
199.04074	0.2
201.05634	0.5
203.03468	0.2
203.24503	0.1
211.04008	0.2
221.06647	0.4
224.04781	0.3
225.05592	0.8
227.03566	0.6
239.03506	0.2
240.04298	0.3
268.03802	3.1
269.04565	100.0
270.04904	7.1
311.05664	0.3
415.23016	0.2
440.93161	0.1
517.29718	0.1
577.15704	2.5
577.28363	0.3
578.15881	0.3
588.20776	0.1
599.67926	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
63.02397	1.3
65.00338	0.7
69.13853	3.1
86.28237	0.5
89.02448	0.5
95.01488	0.5
103.56464	0.4
107.01380	1.2
116.01131	0.4
117.03482	2.6
119.03497	0.5
149.02481	0.9
151.00359	1.5
159.04539	0.6
183.04538	0.7
184.05128	0.5
196.05292	0.5
197.06039	0.5
200.04695	0.4
201.05635	0.6
211.04153	0.6
211.72607	0.4
225.05510	1.1
237.90154	0.4
239.03506	1.2
240.04259	1.8
267.02902	0.5
268.03799	23.6
269.04565	100.0
270.04932	6.6
311.05502	0.7
396.96783	0.4
413.08813	0.8
526.14368	0.4
577.15692	48.8
578.15900	7.1
578.31818	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	577.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47227	0.6
52.06623	0.5
54.44932	0.5
57.25993	0.5
59.01384	57.7
61.98828	0.6
63.02391	1.4
68.98615	6.2
71.01385	4.9
76.14795	0.6
77.95392	0.6
83.01390	1.0
84.22670	0.5
85.02945	1.1
89.02457	4.9
95.01423	0.9
96.00922	0.6
98.21774	0.9
99.00878	0.6
101.02474	2.8
107.01390	1.8
110.83013	0.5
113.02437	1.6
117.03484	3.3
119.03493	1.7
145.02927	0.7
151.00357	1.2
159.04498	1.0
161.02411	1.0
161.04568	1.1
177.05629	0.7
179.05576	1.8
183.04594	0.8
186.28256	0.6
211.03944	1.1
221.06567	0.9
225.05574	1.4
234.06799	0.7
239.03494	1.3
240.04219	1.8
263.07065	0.9
267.06677	3.4
268.03772	23.5
269.04559	100.0
270.04901	7.0
279.06619	10.4
285.04004	0.6
291.06702	5.0
292.07327	1.7
294.09033	2.1
295.06134	11.0
296.06503	0.9
305.08179	0.7
306.08951	5.0
307.06131	19.7
307.09372	1.2
308.06464	1.6
310.08466	11.1
311.08694	1.1
321.07678	2.0
322.08459	10.8
323.08902	0.9
325.10831	37.4
326.11108	2.7
337.10815	53.8
338.11115	4.5
412.25729	4.0
495.34683	0.7
509.27350	2.1
577.15637	46.4
577.29132	2.0
578.15930	7.0
578.29749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1934
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
57.23122	0.5
59.01386	3.9
69.25658	0.5
70.20728	0.6
71.01375	1.7
71.26292	0.9
83.01437	0.6
85.02953	0.9
89.02437	2.0
99.00909	0.6
101.02454	1.0
110.12437	0.6
113.02463	1.4
119.03478	0.8
123.00892	0.5
137.02470	0.8
138.03192	0.8
143.05022	0.8
145.02959	2.1
146.03760	1.4
147.04497	2.4
158.03766	4.6
159.04501	1.4
160.01677	1.9
161.06088	1.7
163.04002	0.9
165.05571	5.3
175.04073	0.8
176.04836	1.2
177.05595	0.6
178.06230	0.9
179.07236	0.6
189.05605	1.1
190.02754	1.0
191.05670	0.7
205.05142	0.8
207.06564	1.7
208.03870	0.7
209.06120	0.6
211.07646	0.9
221.06142	1.6
223.07742	2.8
235.07750	0.9
237.05580	1.4
239.07164	3.3
241.08679	0.8
248.04752	1.0
249.05534	3.1
251.07196	3.7
253.08592	0.7
263.07086	2.9
264.04294	0.7
265.05029	1.8
266.05847	1.2
267.06555	3.2
268.07175	1.2
269.08215	3.3
277.05112	3.5
278.05859	1.1
279.06622	2.7
280.07388	5.0
281.08212	4.3
283.06152	2.9
291.06656	2.6
292.07419	1.1
293.08203	0.9
294.08728	0.9
295.06174	10.2
295.09470	1.1
296.06842	1.4
297.07742	1.8
298.08530	1.4
307.06012	1.5
308.06927	5.0
309.07712	39.3
310.08429	23.0
311.08798	1.4
313.07239	1.7
313.10855	4.7
323.09186	3.3
324.06635	0.5
324.10040	12.5
325.07178	26.5
325.10843	26.9
326.07523	1.9
326.11133	2.1
328.09546	2.4
333.06848	0.7
337.11002	0.9
339.08746	2.3
340.09537	6.3
341.09967	1.1
343.11908	26.7
344.12134	2.2
355.11896	100.0
356.12231	8.4
367.10501	1.0
373.12958	8.0
419.05539	0.7
513.14185	1.4
517.32642	0.6
528.16370	3.4
529.17346	1.0
547.18066	6.1
559.18243	9.0
560.18701	1.0
577.19666	7.5
577.28418	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	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
57.03445	3.6
58.00596	3.7
59.01385	96.6
69.03442	2.2
71.01390	85.6
72.01711	1.2
72.99319	6.0
73.02953	18.0
75.00880	1.3
83.01405	8.4
85.02959	23.4
86.00098	1.6
87.00880	20.6
89.02455	100.0
90.02797	1.2
93.03492	1.4
95.01398	3.8
97.02950	3.6
97.41991	0.7
99.00893	4.2
101.02454	67.5
102.02759	1.2
111.00912	1.1
113.02460	27.6
119.03519	23.3
122.05289	0.9
125.02471	8.9
127.79427	0.9
129.01968	1.2
131.03519	49.9
132.03879	1.3
135.08223	0.9
143.03508	7.0
149.04575	57.8
154.99898	1.8
159.03041	1.9
161.04585	20.7
179.05624	47.7
180.05905	1.4
191.05644	26.9
221.06693	26.4
222.07056	1.4
245.52197	0.9
263.07666	5.0
269.04611	6.7
293.08902	1.3
415.16031	12.1
445.17096	1.8
546.61060	0.8
577.21356	28.6
578.21613	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	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16316	0.5
55.01884	1.1
55.56018	0.5
57.03453	1.0
58.00573	0.9
59.01386	22.1
61.98831	1.5
71.01390	23.8
72.99328	1.6
73.02965	2.9
83.01408	1.8
85.02959	6.4
85.31483	0.6
87.00871	2.1
89.02457	17.6
92.36894	0.5
95.01389	2.0
98.21736	1.3
99.00912	1.2
101.02458	10.8
109.66299	0.5
113.02463	8.1
119.03524	6.1
121.02969	2.0
123.04557	1.0
125.02489	0.8
131.03561	0.9
133.05067	1.4
143.03510	1.7
149.04596	0.7
159.03018	1.2
161.04590	11.8
162.05092	0.5
163.69455	0.5
164.04822	5.2
179.05701	6.8
179.07150	100.0
180.07457	4.4
235.08255	4.5
415.16116	16.5
416.16617	1.3
501.45508	0.6
577.21283	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	577.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
57.03445	3.6
58.00596	3.7
59.01385	96.6
69.03442	2.2
71.01390	85.6
72.01711	1.2
72.99319	6.0
73.02953	18.0
75.00880	1.3
83.01405	8.4
85.02959	23.4
86.00098	1.6
87.00880	20.6
89.02455	100.0
90.02797	1.2
93.03492	1.4
95.01398	3.8
97.02950	3.6
97.41991	0.7
99.00893	4.2
101.02454	67.5
102.02759	1.2
111.00912	1.1
113.02460	27.6
119.03519	23.3
122.05289	0.9
125.02471	8.9
127.79427	0.9
129.01968	1.2
131.03519	49.9
132.03879	1.3
135.08223	0.9
143.03508	7.0
149.04575	57.8
154.99898	1.8
159.03041	1.9
161.04585	20.7
179.05624	47.7
180.05905	1.4
191.05644	26.9
221.06693	26.4
222.07056	1.4
245.52197	0.9
263.07666	5.0
269.04611	6.7
293.08902	1.3
415.16031	12.1
445.17096	1.8
546.61060	0.8
577.21356	28.6
578.21613	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	577.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03450	2.4
58.00601	3.1
59.01387	56.6
59.25520	1.2
61.98825	2.9
65.03966	5.4
69.03474	1.6
71.01392	46.8
72.99323	2.9
73.02956	6.2
81.03460	1.3
82.48185	1.0
83.01401	3.2
85.02965	14.5
87.00894	4.6
88.18446	1.0
89.01893	1.2
89.02457	42.5
91.05553	4.1
93.03471	100.0
94.03824	1.9
95.01407	2.9
99.00880	2.1
101.02460	28.0
107.05038	4.1
109.06610	2.1
113.02466	18.5
116.04202	1.0
119.03532	16.8
119.05037	22.6
119.05846	2.2
121.06612	1.4
123.04559	1.4
125.02531	1.5
131.03508	2.3
135.04514	1.3
136.05272	1.2
137.06104	32.1
141.76785	1.1
143.03522	2.6
143.07152	2.0
143.40965	1.1
149.04573	2.8
155.98894	1.8
161.04610	8.4
176.35870	1.1
179.05623	6.4
179.07068	1.9
181.05075	2.0
217.12387	1.5
235.13426	4.8
253.14478	1.2
269.04544	3.4
277.12839	1.9
294.61029	1.0
307.14047	3.4
361.16382	1.3
379.17749	4.4
397.18674	10.4
415.19882	9.6
433.35666	1.0
577.28693	2.4
592.84375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28814	0.5
59.01373	1.0
61.98517	1.1
61.98836	16.4
63.39525	0.5
63.96257	1.0
68.98850	1.6
68.99258	4.8
71.01392	6.5
73.02956	1.2
74.74026	0.6
78.98590	4.0
79.95750	9.4
80.96527	62.9
85.02971	1.9
87.00894	1.7
94.98098	13.8
96.96004	1.5
97.02965	0.7
99.00928	0.5
101.02438	1.3
106.98104	3.3
122.97617	2.4
125.02459	2.5
134.97600	4.2
135.07722	0.6
136.99138	0.7
148.99133	5.1
152.98634	5.4
164.94843	0.6
164.98669	8.9
165.69200	0.6
165.98819	0.6
206.99683	1.7
225.00807	10.2
277.21680	1.0
299.04480	2.7
346.49765	0.6
569.67505	0.6
577.26929	100.0
578.27283	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95405	0.9
58.01553	0.9
59.01382	1.8
61.98833	24.7
63.71030	0.9
63.96251	2.0
69.64730	5.5
71.01392	8.1
73.02944	1.5
78.95894	2.6
78.98588	3.8
79.95740	8.5
80.96526	65.2
81.03474	1.4
85.02949	2.9
87.00904	1.9
94.02637	1.0
94.98097	14.2
96.96035	1.8
97.02927	1.4
101.02454	2.4
106.98080	2.9
118.09376	0.9
122.97604	6.3
125.02448	2.2
131.84369	1.0
134.97620	3.2
136.99074	1.5
148.70950	1.0
148.99147	4.4
152.98616	5.4
160.28310	1.0
164.98640	11.2
206.99773	2.4
225.00760	12.5
277.21671	1.1
279.23334	2.1
299.04474	2.5
299.15195	1.2
301.82254	1.1
459.59122	1.0
577.26941	100.0
578.27289	12.8
580.60754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2876
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.64828	1.0
55.01877	3.9
55.79306	1.1
57.03443	2.4
58.00591	3.1
59.01386	100.0
62.16631	1.1
69.27125	2.2
69.27464	9.0
71.01389	73.4
72.57680	1.1
72.99306	4.8
73.02946	9.1
75.00874	1.2
81.03468	2.1
82.46961	1.1
83.01405	7.5
85.02964	21.9
87.00884	7.2
89.02455	73.5
95.01409	6.2
99.00889	3.9
99.04527	1.9
101.02459	47.1
111.00915	1.4
111.04525	1.8
113.02470	31.4
119.03516	36.0
125.02414	1.6
127.00461	1.3
129.90451	1.2
131.03514	3.0
135.03023	1.6
135.04526	1.1
143.03526	7.8
145.18631	1.1
147.03046	2.7
149.04559	2.4
159.02985	2.0
161.04568	13.4
179.05653	19.6
221.06700	3.3
225.11412	2.6
267.12372	1.3
285.13422	2.9
395.18500	1.2
397.22525	2.6
415.16113	1.9
415.23517	11.3
459.22028	1.3
528.50574	1.3
534.26593	4.1
577.28741	55.8
578.28986	7.2
584.56958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03436	0.3
59.01387	20.5
60.01710	0.4
61.98831	0.5
64.37465	0.4
69.03474	0.4
71.01389	3.7
71.27302	0.4
71.27662	0.4
73.02940	0.9
79.74184	0.3
83.01400	0.4
85.02947	1.2
87.00867	0.5
89.02469	2.7
97.06602	0.6
99.00890	0.4
101.02470	2.0
111.08206	0.5
113.02467	1.3
114.75476	0.3
119.03497	0.9
119.05117	0.3
121.02938	0.6
121.06635	0.4
123.08157	0.4
125.02417	0.6
128.14339	0.3
131.03488	0.4
133.06757	0.4
135.04497	0.8
135.08194	0.7
143.03505	0.4
143.04637	0.3
144.79675	0.3
149.04669	0.4
149.06136	0.3
153.09267	0.5
161.04514	1.1
165.05602	0.5
169.10239	0.6
173.09741	0.4
177.05608	0.6
179.03580	0.5
179.05615	1.1
189.12837	0.4
191.05594	0.5
205.12373	1.0
209.04457	0.6
245.15587	0.7
261.14996	0.7
267.06616	0.4
269.04523	0.6
281.04095	0.3
295.06076	0.3
308.07037	0.6
309.07736	2.6
310.08441	1.3
313.10760	0.5
313.18127	1.0
323.20273	0.6
324.10040	0.7
325.07144	1.4
325.10828	1.5
327.19742	0.5
340.09583	0.6
343.11670	1.7
355.11942	5.9
359.82028	0.4
375.26996	0.9
391.26474	0.7
405.28601	0.4
407.25906	0.8
421.23621	0.9
423.24802	0.8
423.29681	0.8
433.27728	1.6
435.25330	1.2
437.26968	1.8
438.27634	0.3
439.28619	5.9
440.29095	0.6
449.27237	0.6
451.28616	25.7
452.29086	3.3
455.28027	0.5
467.28128	6.9
468.28421	0.7
469.29620	6.7
470.29935	0.9
471.27576	0.4
483.27600	1.0
487.15903	0.6
487.30704	1.5
495.27753	1.1
499.16104	1.1
513.28558	1.2
517.31775	100.0
518.32123	12.4
528.16040	0.5
533.11163	0.4
559.18402	1.3
577.19434	0.6
577.28461	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69393	0.5
61.98837	100.0
71.01407	1.5
78.95943	0.6
78.98613	1.1
79.95749	1.9
80.96529	13.2
85.02979	0.5
94.98116	2.9
96.96037	1.2
101.02474	0.6
106.98120	0.9
114.77990	0.7
121.94465	0.6
122.97642	0.6
125.02498	1.1
136.99026	0.5
148.99162	0.6
152.16806	0.6
152.98650	1.0
160.67006	0.5
164.98680	1.9
225.00722	3.6
269.39560	0.6
279.23380	0.9
549.10529	0.5
579.28473	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	578.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03972	0.5
59.01391	0.7
61.98838	100.0
69.07811	3.1
69.08233	1.6
71.01392	1.2
78.98586	0.7
79.95761	1.5
80.96529	9.3
80.96986	0.7
85.02966	0.6
94.98080	2.8
96.96040	2.5
101.02486	0.6
106.98076	0.6
125.02496	0.6
134.97639	0.6
145.35506	0.5
148.99231	1.0
152.98747	1.2
163.94479	0.5
164.98712	1.6
225.00856	1.6
279.23346	1.0
299.04453	0.7
300.03629	0.5
480.03748	0.6
564.63879	0.6
579.27924	13.7
592.70844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.8
59.01385	13.5
61.98842	0.7
68.98730	4.7
71.01366	0.9
78.95914	6.5
78.98604	0.7
79.95745	1.1
80.96529	5.9
94.98097	0.7
98.22523	1.1
99.13106	0.5
134.97572	0.6
152.98538	0.5
152.99600	1.6
160.97195	0.5
164.98663	0.6
168.04362	1.3
177.55612	0.5
224.07027	1.0
225.00620	0.7
242.08028	3.0
279.23328	100.0
280.23688	7.7
394.23792	0.5
504.31000	23.2
505.31503	2.2
578.27295	9.6
579.26904	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	578.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.7
61.50938	0.8
62.57412	0.8
68.99898	9.8
70.75572	1.0
71.01387	1.4
78.95914	23.7
79.95760	2.3
80.96527	9.5
87.00896	1.0
92.03815	0.9
94.98106	2.5
106.98134	1.1
148.99210	1.0
149.43790	1.0
152.99628	3.1
164.98674	2.1
168.04350	3.7
224.07022	9.1
225.00848	2.1
231.82671	1.0
242.07886	1.4
279.23334	100.0
280.23672	7.9
286.69049	1.1
333.64740	1.1
396.17273	0.9
469.43494	1.0
504.31061	59.5
505.31485	5.2
578.27295	15.5
579.26917	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.6
60.99316	14.0
61.98846	8.7
64.47435	1.5
65.87620	1.4
71.01392	17.1
71.28765	1.7
72.99308	1.5
73.02938	5.0
75.00898	1.8
83.01403	4.1
85.02974	5.7
88.98820	92.9
89.02461	9.1
89.54588	1.3
89.99169	1.4
95.01376	2.1
99.00856	2.0
101.00956	1.4
101.02440	9.7
107.01384	1.7
110.59325	1.3
113.02460	7.8
119.03537	3.8
127.04125	1.3
133.02975	2.7
143.03461	1.6
151.00378	2.2
161.04550	5.7
179.05661	2.9
205.48402	1.3
256.03912	3.6
284.03299	55.4
285.04086	76.1
286.04443	6.0
286.48706	1.5
314.90161	1.4
317.55325	1.5
398.97092	1.5
417.25052	12.8
448.49484	1.6
481.54782	1.4
489.10446	100.0
490.10727	13.4
579.30133	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	579.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.6
58.00602	1.2
59.01387	100.0
63.02407	1.0
66.92543	0.9
68.98358	10.0
69.03464	1.1
70.29121	1.0
71.01391	15.8
72.99296	1.4
73.02952	7.0
75.00880	6.1
82.02810	1.0
83.01404	5.7
85.02953	8.7
87.00893	8.8
89.02455	16.1
98.21720	2.0
99.00909	1.5
99.04520	2.1
101.02458	11.1
102.02761	1.1
107.01454	2.1
109.06618	1.2
111.00872	5.3
113.02453	5.1
115.43179	1.1
119.03503	2.0
129.01970	11.9
131.03539	3.0
133.02982	4.0
135.03021	9.3
143.03511	1.2
146.12999	1.1
147.03012	16.7
149.02423	1.7
149.04581	5.4
151.00400	2.6
161.04611	1.9
165.12868	1.9
175.03992	2.2
179.05649	2.0
191.05690	2.1
199.04021	1.8
207.13969	6.7
209.11916	6.0
217.05159	1.2
221.06602	1.6
225.15002	22.6
227.12920	43.9
228.13171	2.0
251.12895	3.8
269.13989	18.7
284.03250	16.1
285.04086	96.4
286.04468	6.3
287.15054	38.8
288.15329	3.4
345.15454	1.4
399.16473	9.7
405.17648	8.4
417.17719	25.7
418.18216	2.1
519.32214	2.8
535.20361	9.4
537.32642	1.5
579.13702	51.3
579.22961	5.0
580.14050	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	579.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23984	1.5
68.33126	1.5
68.99832	17.2
69.02180	15.6
69.74077	1.6
76.03997	1.5
81.11532	1.5
83.90223	1.5
98.21822	4.2
108.02187	31.0
109.02982	4.7
119.06114	1.7
123.00905	8.8
123.04556	27.9
132.02222	4.2
138.03232	21.8
147.04468	3.1
150.03214	12.6
150.73692	1.5
158.36807	1.6
161.02480	9.4
162.03241	24.0
163.04037	6.5
165.05540	4.1
175.04022	7.6
177.05606	37.5
178.02718	38.7
179.03450	3.2
193.05089	100.0
194.05510	4.4
210.06854	2.2
218.05888	14.4
222.05363	4.9
266.06012	4.3
277.04843	1.9
278.05902	7.3
281.08337	2.8
282.05399	2.2
294.05527	3.8
297.07822	2.7
306.05414	7.5
307.06207	5.0
308.18042	2.1
309.07739	2.3
310.05008	3.6
321.07693	19.5
322.08383	5.2
324.06262	2.0
325.07178	15.1
335.09323	1.8
336.10092	6.7
337.07211	14.0
337.10730	3.6
339.08670	6.0
340.09555	9.8
352.09430	4.1
354.11230	13.8
355.11896	27.2
356.12265	2.1
367.11942	28.3
368.11972	2.5
517.14984	1.7
549.17944	3.1
579.18707	23.8
580.19653	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	579.188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.6
69.11005	1.5
69.11314	12.4
69.66134	1.4
91.58090	1.4
93.03489	3.7
98.22523	2.5
121.02995	6.7
122.03740	14.0
136.01733	1.7
142.12178	1.3
142.91510	1.5
149.02467	24.2
150.03252	99.8
151.00520	1.5
151.03658	2.6
164.04845	4.5
165.05592	93.8
166.05962	4.6
180.04350	6.1
195.06653	45.2
196.06963	1.4
197.82733	1.4
226.06410	2.4
227.07346	1.8
229.47702	1.2
236.04880	5.9
252.04358	4.0
254.06013	1.5
267.06699	6.3
278.30069	1.5
280.03683	6.7
295.06192	24.9
321.07791	2.1
321.53506	1.6
322.08542	2.7
323.05673	21.9
324.06366	3.2
325.07135	1.9
325.67990	1.6
335.05533	2.8
337.10858	1.9
338.08063	4.9
353.06689	49.7
353.10928	3.3
354.07040	3.3
367.08325	2.5
368.09036	26.5
369.09644	2.7
374.94736	1.6
383.11404	100.0
384.11713	8.2
501.15601	6.2
531.16693	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
57.03448	3.6
59.01386	100.0
60.01705	1.2
61.98840	2.4
63.82224	1.1
71.01387	13.6
71.28683	1.9
72.99323	2.3
73.02967	2.8
75.00873	7.5
75.13875	1.1
83.01411	3.1
85.02965	5.2
87.00887	3.9
89.02454	12.4
97.84826	1.0
99.04489	2.4
101.02457	8.7
105.62383	1.2
107.01382	1.8
111.00893	3.6
113.02454	5.9
119.03505	2.8
129.01921	6.7
133.02972	2.9
135.03033	6.2
147.03008	10.4
149.02432	1.5
151.00398	2.2
154.99829	1.9
161.04593	2.3
171.10300	3.2
175.03961	2.9
179.05585	2.2
183.10355	1.6
201.11343	5.0
207.13925	3.6
209.11703	1.5
225.14986	8.7
227.12900	19.6
241.05026	1.4
243.12399	6.4
253.09227	2.0
269.13922	7.1
281.16556	1.3
284.03372	5.0
285.04080	80.8
286.04398	5.3
287.15021	17.8
297.07809	5.9
308.90601	1.1
309.07755	4.5
312.10004	4.3
324.09991	3.6
325.20123	1.2
327.12393	21.7
327.16150	2.0
328.12454	1.7
339.12421	17.6
340.12616	1.8
343.21292	2.7
367.71603	1.4
391.16187	2.6
399.16385	5.3
405.17355	6.2
417.17624	19.4
418.18066	2.0
461.24249	7.5
517.19342	1.6
533.26428	1.3
535.20313	14.2
536.20819	1.9
579.13470	21.1
579.27081	6.6
580.13727	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	579.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.5
57.03456	4.1
58.00597	1.8
59.01384	100.0
65.84571	1.6
69.16665	14.6
70.44131	1.8
71.01389	17.0
72.99319	2.1
73.02938	5.0
75.00881	23.7
83.01399	5.3
85.02957	8.6
87.00886	14.4
89.02453	12.7
91.81910	1.9
93.03500	2.7
96.56418	1.7
99.00906	2.8
99.04557	2.9
101.02445	8.8
111.00903	14.7
112.98819	2.8
113.02464	4.1
119.03506	4.5
129.01947	18.6
131.62617	1.7
135.03020	48.6
147.03024	20.9
148.03438	1.7
149.02426	3.0
150.03256	3.7
151.00418	4.1
165.05571	2.8
173.04593	4.8
177.04074	2.2
177.05594	2.2
178.55133	1.7
191.05600	4.8
193.88931	1.9
195.06760	1.9
203.71867	1.8
207.13983	8.9
209.11877	6.4
225.14946	26.5
227.12904	56.8
228.13237	4.1
243.12540	2.5
251.13040	3.4
269.13916	25.7
271.06165	3.3
283.20963	1.8
287.15018	69.5
288.15472	4.7
399.16678	10.8
405.17725	10.6
417.17679	45.8
418.17865	4.8
535.20111	9.2
578.19995	2.3
579.23425	3.0
607.02167	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	579.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83710	1.6
57.03455	4.7
58.45253	1.6
59.01386	100.0
69.05794	14.6
71.01389	7.3
73.02961	3.5
75.00888	5.8
83.01398	4.9
85.02972	5.0
87.00877	9.4
89.02454	5.2
93.03457	3.3
98.21806	3.9
99.04533	4.0
101.02459	3.2
111.00896	4.5
113.02482	3.5
123.41120	1.6
128.39534	1.8
129.01942	15.5
135.03004	11.7
147.02997	15.2
165.12834	2.5
173.04535	11.6
179.05620	2.3
207.13980	9.4
209.11867	7.4
225.14996	22.6
227.12904	57.4
228.13197	2.8
251.12898	3.1
269.13989	28.8
284.03342	6.1
285.04025	13.8
287.15033	65.7
288.15472	3.7
399.16748	9.1
405.17703	15.3
417.17776	26.9
418.17484	2.1
442.94073	1.7
461.20340	5.2
517.18506	2.0
519.32410	2.5
535.20483	10.0
579.13580	13.6
579.23151	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	579.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.2
61.98841	27.8
63.02392	3.0
63.67124	0.9
65.00325	1.0
71.01379	2.6
79.05540	0.9
83.01369	1.1
85.02953	1.3
93.03500	1.1
99.04535	2.9
100.66582	0.9
101.02444	1.4
101.26965	0.9
107.01444	2.2
109.02958	2.2
117.03458	5.3
118.03778	1.4
121.02905	1.3
122.72522	1.0
123.00903	2.8
135.04506	0.8
137.02463	7.7
143.03569	1.3
144.22072	0.9
149.02390	1.2
151.00397	20.4
152.00890	1.2
152.04770	2.3
159.04546	1.8
161.02480	1.4
166.02739	50.9
167.03423	2.0
177.02017	2.4
181.05090	65.0
182.05426	2.8
190.06328	1.1
193.05070	1.0
202.05841	1.0
207.06708	1.5
217.89018	1.0
225.05606	1.9
240.04062	1.1
241.04257	1.2
268.03802	20.0
269.04517	91.3
270.04849	73.5
271.05139	62.7
272.05377	1.7
290.99847	1.1
359.11676	1.1
362.46063	1.0
387.10831	13.8
402.13217	6.4
414.09048	1.2
415.09314	1.2
417.15604	89.5
418.15817	8.6
491.53186	1.0
579.16266	100.0
580.16638	6.3
599.58899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.9
59.01387	100.0
60.01705	1.0
60.99311	1.3
65.61282	0.5
66.53731	0.5
67.01897	1.3
68.99189	5.8
71.01394	4.0
73.02956	0.8
75.00896	1.5
85.02979	2.3
87.00899	3.7
89.02456	3.4
93.03469	12.9
101.02480	2.7
111.00933	0.8
111.04520	1.3
113.02463	1.5
119.03524	1.3
121.02972	1.2
126.90428	1.1
127.04063	0.7
129.01978	1.5
135.03059	2.4
147.03096	1.0
150.03207	0.8
161.04636	0.9
165.12929	0.6
173.04564	4.7
175.04085	1.7
190.06323	0.8
191.05637	16.1
201.44191	0.6
209.11964	1.2
222.05377	0.9
225.15038	1.7
225.47253	0.6
227.12888	6.5
233.06708	0.9
251.07320	0.6
253.05420	0.7
263.07230	1.3
268.07513	0.7
269.08395	2.1
269.14066	1.6
279.06894	0.6
281.08429	2.7
285.04205	2.2
287.15045	5.8
291.06659	0.8
293.08408	1.3
294.09235	1.2
296.10730	0.8
297.07816	6.9
297.11020	0.9
309.07898	12.5
309.11511	3.4
310.08044	0.8
312.10101	6.5
323.09366	3.2
324.10052	7.5
325.10376	1.1
327.12421	34.0
328.09409	0.8
328.12827	3.0
339.12415	33.1
340.12872	2.0
417.17960	1.2
461.19968	9.2
462.20822	0.8
579.13983	0.7
579.22760	18.5
580.23804	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	2.3
68.98632	8.4
71.01398	6.3
73.02941	1.0
75.00892	1.1
83.01415	0.9
85.02959	2.1
87.00868	0.9
89.02451	4.4
98.22151	4.1
99.00928	0.7
101.02457	4.4
107.05008	1.5
113.02463	2.5
119.03574	1.1
121.02985	2.1
125.02477	1.1
133.02994	2.0
134.03761	2.2
135.04547	3.9
146.03792	1.0
147.04474	1.1
149.02426	2.3
151.00336	1.6
155.00046	1.1
159.04492	0.9
161.04544	2.0
163.03989	4.4
166.76503	0.9
171.04599	1.0
175.03993	4.7
181.05025	1.1
190.06377	1.3
191.03436	0.8
191.05598	1.1
198.06320	0.9
203.03537	4.8
207.02992	7.0
208.03583	1.1
221.04550	1.6
222.05272	1.7
225.05484	1.1
227.12949	1.5
235.06206	2.2
253.09032	0.9
263.07172	1.8
269.08224	1.4
279.06616	1.9
281.08347	3.9
281.11066	0.8
284.03250	2.8
285.04092	39.2
286.04529	3.0
287.15240	0.9
291.06750	1.1
293.08096	0.8
294.08954	1.9
295.09537	0.8
297.07773	10.2
297.10995	1.8
298.07983	1.2
308.10788	1.2
309.07736	13.4
309.11307	2.5
310.08270	0.8
312.10126	8.3
313.10529	1.2
323.09216	2.3
324.09988	10.4
325.10526	0.9
327.12411	44.9
328.12668	3.6
339.12399	44.9
340.12704	4.0
405.17679	2.4
417.15649	6.5
430.27490	0.8
469.15701	0.7
579.13342	12.5
579.28326	1.6
580.14197	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.98817	1.0
69.83961	0.6
71.01398	2.7
73.02945	0.9
75.00867	0.5
84.02180	0.5
85.02958	1.4
88.98843	0.6
89.02453	1.7
89.44638	0.5
95.01387	0.8
101.02480	0.9
102.01442	0.8
109.02950	2.4
111.58070	0.5
113.02432	1.4
119.03532	0.7
121.03001	0.9
123.00860	2.8
125.02445	1.2
133.03008	1.1
134.03755	0.6
135.04613	0.6
137.02483	9.3
146.12341	0.5
149.02516	1.4
149.06094	0.5
150.03210	0.8
150.99190	1.2
151.00389	18.7
151.04037	1.5
152.01068	1.1
152.04803	2.3
153.05664	0.9
156.79074	0.5
163.04039	0.7
165.01967	1.0
166.02733	60.2
167.03445	3.7
175.04041	1.3
176.01260	0.7
177.01936	2.9
177.05481	0.7
179.03473	1.5
181.05087	73.6
182.05411	3.0
184.03807	0.6
190.06335	1.5
191.03485	1.3
192.04274	0.7
193.05035	1.0
203.03529	0.9
205.05232	1.1
205.08717	1.5
207.06721	1.1
211.04265	0.7
223.06302	0.7
284.03348	3.1
285.00903	1.1
285.04089	21.4
286.04468	1.4
327.12384	0.7
359.11456	1.4
371.14865	1.0
387.10913	16.6
387.15863	0.8
388.11130	0.9
392.64301	0.6
402.13290	7.5
403.13446	1.0
417.15622	100.0
418.15933	10.8
452.28906	1.1
453.28995	1.0
518.31793	3.5
519.32300	6.2
579.13574	8.8
580.13831	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	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03448	1.4
59.01105	1.5
59.01382	20.9
61.98814	3.1
68.96992	7.0
68.97406	3.2
69.03450	1.3
69.92162	0.9
71.01390	21.4
72.99288	2.0
73.02959	6.5
75.00864	1.7
77.40948	1.0
83.01383	3.5
85.02955	9.5
87.00875	4.2
87.01366	1.0
88.98815	1.0
89.02441	7.8
95.01403	1.9
97.02955	1.5
98.22540	2.3
99.00907	1.8
101.02451	17.4
105.01910	2.8
111.00884	1.5
113.02459	8.2
114.06819	1.0
119.03526	3.0
125.02481	2.0
131.03456	1.3
135.03027	1.9
141.09198	2.1
143.10745	2.5
161.04543	3.8
193.15904	1.2
255.16080	1.9
285.04022	1.2
342.23511	1.7
343.24319	1.0
417.21460	3.1
461.27188	1.1
536.33289	2.8
556.30109	1.0
579.26563	100.0
580.27008	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	579.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98829	1.4
63.96251	1.4
69.26978	6.1
71.01393	9.2
73.02962	1.8
78.95924	0.9
78.98585	5.1
79.09881	0.7
79.95745	12.5
79.96178	1.3
80.96529	74.0
83.01376	0.8
85.02974	2.8
85.16389	0.7
85.85587	0.7
87.00887	3.0
94.98098	15.7
96.24171	0.7
96.96032	3.3
97.02975	1.8
101.02459	2.7
106.98101	3.1
113.02512	0.7
122.97589	3.1
125.02481	1.6
134.97598	5.7
136.99184	1.3
148.99150	6.9
152.98662	4.5
164.98653	9.3
206.99716	1.6
225.00777	12.8
243.63239	0.8
255.23380	1.0
279.23291	1.5
299.04483	2.7
306.42691	0.9
308.24854	0.7
418.39114	0.8
421.59460	0.8
427.11026	0.8
466.66843	0.8
515.87842	0.9
579.28522	100.0
580.28857	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	579.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
61.40894	0.5
63.96228	1.0
69.03451	0.7
69.11071	4.9
71.01391	7.0
73.02946	1.8
78.98599	6.2
79.95742	11.5
80.96526	69.9
85.02970	3.1
87.00893	2.2
94.98097	16.1
96.96018	1.7
97.02958	1.1
101.02445	2.7
106.98105	3.2
122.97596	5.6
125.02454	3.4
134.97589	5.7
136.99158	1.5
148.99179	5.0
152.98640	6.2
164.98633	9.8
182.99696	1.7
187.87686	0.5
206.51552	0.6
206.99756	3.9
225.00772	14.9
243.01707	0.7
279.23303	2.4
280.23492	0.6
281.25006	0.7
299.04443	2.7
313.13345	0.6
341.18924	0.6
480.24066	0.7
579.28473	100.0
580.28894	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	579.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
56.61870	1.1
56.79766	1.1
57.03460	2.7
58.00591	2.5
59.01386	54.6
60.01711	1.1
61.98838	31.1
63.02401	2.0
65.00331	9.2
66.28696	1.0
69.71036	5.5
71.01391	56.0
72.99319	3.5
73.02949	8.9
83.01395	10.2
85.02959	18.8
87.00903	3.4
88.31393	1.0
89.02456	28.1
93.03480	4.5
95.01411	5.4
97.02921	1.6
99.00896	2.8
101.02453	34.4
107.01404	15.4
109.02977	2.1
111.00917	1.3
113.02470	20.7
117.03499	2.2
118.66878	1.0
119.03523	11.6
119.04221	1.3
119.05033	23.7
120.05415	1.6
121.02956	1.5
123.00906	1.6
125.02424	4.8
129.01953	3.0
131.03568	1.3
136.01599	1.2
137.02460	6.1
139.00394	1.7
143.03531	2.8
145.02989	3.1
149.02493	2.3
151.00385	66.7
152.00807	1.8
152.04756	1.4
159.02992	3.2
159.04382	1.1
161.02498	1.5
161.04591	12.9
161.05962	2.0
162.03151	1.6
163.04034	3.3
165.01938	2.9
166.02736	40.0
167.03275	3.0
175.00360	1.8
177.01993	5.8
179.05644	4.8
180.04332	2.4
181.05081	50.0
182.05444	3.4
187.04021	1.9
190.02756	2.9
193.01488	1.5
193.05040	1.4
195.06570	2.5
205.05122	4.2
207.03008	1.5
223.06149	1.4
227.12903	4.2
235.02626	1.6
240.04149	1.5
254.04832	1.1
268.03717	8.2
269.04492	37.3
270.04846	30.9
271.06006	46.2
272.06354	4.6
285.04080	1.5
287.15097	4.0
295.24503	1.2
313.07507	1.6
327.11618	1.8
338.11392	1.8
339.11877	1.3
359.11523	1.1
367.10522	2.3
387.10834	12.1
388.11136	1.3
402.13217	3.8
403.13083	1.7
405.17679	10.3
417.15646	70.9
417.24719	31.1
418.15988	8.0
418.25253	3.7
459.11548	13.8
485.04742	1.1
579.16766	73.8
579.30231	100.0
580.17206	9.4
580.30804	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63301	0.8
55.01871	4.4
57.03452	7.9
58.00588	3.4
59.01385	83.4
61.98825	4.1
68.99814	1.5
69.03458	3.6
71.01389	100.0
71.27142	1.5
72.01694	1.1
72.99308	5.2
73.02957	22.3
75.00877	2.8
77.80686	0.9
83.01407	12.4
85.02959	33.0
87.00882	12.6
87.04537	1.9
89.02453	63.9
90.02835	1.2
91.08395	0.9
95.01411	7.4
97.02972	6.3
99.00889	9.1
101.02454	90.1
102.02805	2.1
111.00895	4.0
113.02465	41.5
119.03515	31.1
120.03894	0.9
125.02461	10.8
129.01965	2.6
131.03568	5.3
135.03030	4.0
135.04561	1.6
139.11302	2.0
141.01913	1.1
143.03545	12.4
144.89890	0.9
145.05052	1.0
147.02994	1.8
149.04575	2.6
151.00374	1.6
159.03052	4.2
161.04573	38.0
179.05626	38.7
179.07210	1.9
180.06099	1.0
183.10252	5.4
221.06668	11.2
233.06631	2.4
245.06630	5.3
255.19687	1.9
263.07761	9.4
323.09894	4.0
387.20364	0.9
405.21576	3.3
408.15427	0.9
417.25003	55.6
418.25446	6.0
440.15060	2.1
461.23782	1.2
493.29733	1.1
551.78436	1.0
579.30334	69.3
580.30621	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	579.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.4
57.03453	4.7
58.00607	3.4
59.01387	100.0
60.01722	2.1
61.98835	7.3
67.10280	1.0
67.64291	1.0
69.03458	12.1
71.01392	83.0
72.01744	1.1
72.19434	1.1
72.99329	6.3
73.02958	14.1
75.00871	2.7
82.18024	1.0
83.01386	8.5
85.02955	28.5
87.00871	9.2
89.02458	64.7
90.02789	1.6
93.03467	1.8
95.01399	5.4
97.02982	1.9
99.00900	5.0
101.02454	54.1
111.00885	1.9
113.02466	34.8
116.92903	2.3
119.03516	31.4
120.03860	2.2
122.73484	1.2
125.02463	2.6
129.01982	2.6
131.03525	3.7
135.03029	2.3
143.03523	6.1
147.03033	2.1
149.04590	3.3
151.04015	1.7
159.02989	2.7
161.04570	17.3
166.62086	1.2
179.05649	17.3
190.08659	1.2
191.05672	2.7
221.06741	2.2
225.03430	1.2
227.12958	1.3
269.04572	3.3
270.04822	2.6
271.05289	1.4
284.13651	1.2
287.15115	3.1
389.05194	1.2
399.23483	1.4
417.24976	41.0
418.25452	4.4
461.23932	6.6
500.34085	1.4
542.97931	1.2
579.30353	93.1
580.30762	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	579.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.7
57.03452	3.6
58.00592	2.2
59.01387	58.2
61.98840	4.3
69.03455	0.8
71.01391	58.0
72.99315	4.1
73.02954	12.5
75.00863	1.0
83.01404	7.7
85.02961	32.8
87.00882	4.5
87.04517	0.7
87.14686	0.6
88.98823	1.5
89.02454	32.4
95.01411	6.7
97.02953	1.4
99.00901	5.3
101.02457	45.9
102.02794	1.3
103.85329	0.8
110.55032	0.7
111.00945	0.9
113.02465	36.2
119.03522	14.6
125.02436	2.2
131.03532	2.4
131.35564	0.7
134.70090	0.7
143.03529	4.7
149.04570	0.9
159.03009	2.7
161.04573	19.1
162.04854	1.0
177.05634	0.9
179.05630	8.6
229.28661	0.9
243.67883	0.7
255.19823	1.4
263.08054	0.7
266.97934	0.7
284.03342	0.8
285.04181	2.0
323.09930	1.4
325.20343	1.9
399.24020	0.8
417.24966	49.6
418.25195	4.8
489.10324	2.4
579.30273	100.0
580.30560	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	580.095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03436	1.0
58.00595	1.6
59.01385	34.8
60.01719	1.1
61.98838	66.9
63.02388	1.1
65.03959	0.6
67.01888	0.7
69.19026	6.2
71.01390	24.6
72.01740	2.0
72.99301	2.2
73.02949	3.6
75.00871	2.3
78.95885	1.6
83.01403	2.8
85.02966	6.5
87.00899	4.0
88.98849	0.6
89.02456	24.3
90.02772	1.3
91.61561	0.9
93.03470	1.0
94.67522	0.7
95.01407	1.9
95.02587	0.6
96.96021	4.1
99.00869	1.3
101.02460	15.0
102.02798	1.4
107.01414	1.3
113.02473	9.9
114.02823	1.2
117.03469	1.8
119.03516	12.0
120.03828	0.9
125.02480	1.5
131.03522	1.4
131.13354	0.7
135.03020	2.9
135.04556	1.9
143.03505	2.1
148.07790	0.9
149.02495	1.3
149.04575	1.0
149.06065	1.6
151.00377	2.0
159.04468	1.0
161.02435	0.9
161.04558	3.4
173.04747	0.8
177.05579	6.5
179.05620	4.6
183.04579	1.0
188.78578	0.8
191.05638	2.2
192.06020	0.8
192.97997	0.9
206.08290	1.0
218.05814	0.7
221.04587	2.4
227.12912	0.9
268.03787	4.7
269.04575	100.0
270.04910	7.0
287.15070	1.3
311.05661	3.1
344.21674	1.0
353.08893	1.3
417.24945	2.8
418.25165	1.8
431.10257	0.9
463.25549	1.2
473.11108	3.1
519.32971	0.8
521.33057	1.0
563.20673	1.0
579.30011	5.6
580.31152	10.6
581.21539	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	580.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07890	2.2
54.06342	2.5
59.01382	25.4
60.53980	2.7
64.60739	2.5
71.01385	16.5
71.28103	3.6
72.01727	2.8
75.00877	5.4
83.29096	2.5
85.02970	8.8
87.00892	5.4
89.02454	8.9
92.28215	2.8
93.03463	5.2
99.04599	2.9
101.02453	8.7
111.00897	13.9
113.02467	7.5
116.46231	2.7
121.02954	7.7
131.04965	2.5
134.03793	3.5
135.03084	3.3
137.02454	3.0
146.03716	6.4
147.02989	2.8
149.02483	27.9
150.03220	19.9
161.04576	2.7
164.04819	10.5
165.05598	38.3
179.05710	4.0
179.07123	15.6
185.08333	3.4
191.05582	5.8
195.06635	51.0
196.06990	3.3
239.78642	2.7
262.08694	2.4
272.45563	2.8
312.10159	15.9
327.12408	100.0
328.12686	9.5
375.14679	22.4
581.24585	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	581.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29189	1.0
51.82413	1.1
56.79164	1.1
56.81548	1.1
59.01390	10.0
61.98831	2.2
65.50259	1.0
70.30260	2.2
70.30603	2.5
71.01373	7.1
72.99293	1.6
83.01402	3.4
85.02940	1.7
89.02460	6.4
95.01383	2.5
99.00914	1.4
101.02479	3.8
111.00896	8.2
112.98844	2.4
113.02469	3.9
118.98090	1.7
119.03505	3.8
121.02957	1.3
123.00906	17.1
124.01659	3.5
125.02547	1.7
127.00380	6.3
134.03769	10.3
136.98822	4.5
137.02467	7.4
137.99596	1.3
138.03247	20.3
139.00394	43.8
139.04024	3.9
149.02448	1.8
149.06036	1.8
151.00407	3.7
151.04004	6.3
153.01952	11.1
153.05597	10.2
154.02716	3.8
154.05881	1.2
163.00378	2.6
165.01976	4.2
165.05464	1.7
166.02606	2.5
175.04216	1.2
177.01933	10.4
178.02744	6.1
180.04332	3.0
181.05133	4.2
192.04292	4.9
193.05067	18.6
194.05376	1.4
195.06654	3.3
211.06151	3.9
225.07695	2.1
235.06111	1.8
237.30623	1.2
258.01691	1.9
273.04019	2.5
285.04193	1.7
287.01645	1.2
289.07108	1.6
301.03580	4.7
316.05829	4.5
317.06796	14.7
325.11169	1.3
331.08310	9.3
331.68585	1.3
332.05115	1.2
332.09033	23.1
333.09628	1.8
341.10199	1.3
346.10599	3.6
347.11398	69.9
348.11777	6.9
371.11411	3.0
377.12457	100.0
378.12875	7.9
401.16122	3.6
419.13269	6.9
551.17560	4.4
581.18750	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	581.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44638	1.6
61.98836	3.4
69.04029	3.3
69.04424	13.4
69.96088	1.5
76.72206	1.5
93.03458	4.0
116.55745	1.5
117.39594	1.7
121.02970	5.8
122.03761	17.4
149.02446	22.8
150.03244	97.0
151.03561	2.9
164.04771	4.1
165.05588	100.0
166.05910	3.5
180.04282	5.9
191.05702	1.8
195.06645	52.4
196.06938	1.5
237.05807	1.5
238.03378	1.6
238.06335	3.5
269.08328	3.2
282.05371	3.4
297.07703	21.9
307.07004	1.9
325.07092	10.5
326.07880	2.3
337.07288	3.5
340.09683	2.9
355.08249	48.9
355.12469	3.6
356.08371	5.0
370.10632	23.5
385.12976	89.8
386.13181	6.4
454.36688	1.6
454.83231	1.7
533.18542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99327	1.8
59.01393	20.7
61.98836	25.2
71.01376	10.3
71.26989	2.7
72.99322	4.0
73.02979	2.5
75.00887	3.3
83.01377	2.1
85.02955	4.4
87.00900	2.3
87.04539	11.9
89.02477	3.2
93.03484	4.4
96.96027	3.4
99.00914	2.9
101.02458	6.8
108.12948	1.9
109.02967	2.2
113.02464	4.8
116.92875	3.2
121.02959	6.4
122.03745	13.3
133.02951	2.4
135.03003	2.8
137.02423	2.5
142.67407	2.1
147.04514	3.9
149.02470	23.9
150.03247	94.8
151.03712	2.1
160.85641	2.2
161.04597	2.2
164.04802	3.6
165.05591	100.0
166.05945	3.5
175.04036	19.4
180.04341	4.3
190.06422	5.0
195.06647	51.8
196.07042	2.2
212.25787	1.9
218.05859	5.2
222.05385	8.4
238.06317	3.1
265.04990	1.9
266.05960	4.3
278.05780	4.8
281.04532	4.1
285.04117	3.0
294.05515	2.2
306.05396	6.5
307.06070	6.2
309.04333	3.1
310.04907	3.1
321.07733	14.0
322.04773	3.5
322.08420	6.8
323.09152	6.4
324.06342	6.6
324.09760	2.4
325.07245	12.9
325.10580	2.6
336.09970	8.6
337.07199	15.9
337.10809	4.3
339.08945	9.0
340.09573	11.3
352.09348	3.4
353.09952	2.5
354.11093	7.6
355.11832	31.4
367.11887	44.1
368.12613	2.7
473.12375	2.3
489.15390	2.0
503.17102	21.0
515.17151	3.1
533.18207	25.1
534.18689	3.3
539.28229	2.0
551.19141	15.2
581.20154	18.2
581.27631	2.6
582.21088	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	581.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.5
57.03457	3.7
59.01388	100.0
61.98835	9.7
71.01384	37.4
71.27825	4.7
72.99339	3.5
73.02959	8.7
75.00874	5.3
83.01405	11.0
85.02974	13.0
87.00878	8.9
88.07292	2.8
89.02451	29.8
90.43491	3.2
93.03474	5.3
99.00903	4.7
99.04565	3.2
101.02450	26.0
103.88529	2.7
105.01958	7.1
111.00866	4.0
113.02428	16.5
115.00388	10.6
118.67847	3.1
119.03508	9.1
131.03523	6.4
133.01414	17.6
135.03032	12.9
143.03540	5.6
150.03171	3.2
154.99905	22.1
161.04543	5.7
166.21732	3.2
171.10245	3.5
179.05643	6.8
191.05457	3.5
196.47261	3.0
201.11334	22.4
207.14038	4.5
209.11829	3.1
225.15028	4.9
227.12880	23.9
243.12296	3.6
253.09372	7.8
265.05527	3.4
269.13892	6.9
285.04050	8.4
287.15085	35.6
288.15384	3.6
309.21060	3.0
327.22046	3.5
345.22876	31.2
346.23108	4.6
375.16577	45.0
376.16724	3.8
405.17764	3.4
406.98459	3.2
432.62341	3.2
447.09235	3.5
463.16373	3.1
463.22229	14.0
477.23462	12.0
489.27243	6.9
495.24493	8.1
581.24707	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	581.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67997	0.5
59.01390	20.3
60.00852	0.5
61.98828	1.8
71.01382	1.5
82.19189	0.5
97.02979	0.5
98.21758	1.9
98.22470	2.0
109.02998	0.6
110.16174	0.6
136.01631	0.9
137.02489	3.0
145.02979	1.2
147.04518	1.9
151.04018	4.0
152.04758	1.3
161.04527	0.7
161.05913	0.6
162.03255	1.0
163.04019	4.5
165.01912	0.7
166.02798	0.8
166.06378	1.1
167.03593	0.7
173.02362	0.8
174.03220	3.8
175.04041	15.9
176.04794	5.0
177.05569	2.2
178.02820	0.6
179.03423	1.3
180.04306	8.2
181.05080	0.6
188.04840	2.7
189.05591	7.0
190.06367	20.5
191.03526	0.7
191.07155	14.9
192.04269	1.3
192.07658	1.1
193.05101	6.7
194.05856	7.4
195.06242	0.5
203.07150	1.9
205.08723	16.2
205.10670	0.8
206.05959	0.9
207.06642	6.7
208.07436	14.6
222.09003	2.9
269.08328	1.2
270.97241	0.6
299.09247	1.1
311.09253	1.6
314.11557	2.7
326.11600	1.5
329.13922	9.3
330.14163	0.9
341.13974	4.8
359.11447	1.2
374.13678	1.9
389.16104	100.0
390.16428	9.5
419.17325	3.0
456.43085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98519	0.7
57.23494	0.8
58.05576	0.8
59.01371	1.9
70.30684	2.0
71.01385	1.6
85.02972	1.2
95.46492	0.8
101.02443	1.0
110.08907	0.8
124.12790	0.7
137.02451	3.4
139.00352	1.0
145.03018	2.1
147.04538	1.8
150.03238	1.0
151.04028	3.8
153.05611	1.1
162.03235	1.1
163.04030	5.0
164.04744	1.4
165.05534	0.9
166.06413	1.0
173.02487	1.2
174.03209	3.3
175.04033	14.8
176.04794	4.3
177.05475	2.0
179.03519	1.5
180.04300	7.8
181.04938	1.0
188.04793	4.4
189.05597	6.3
190.06390	17.2
191.07158	13.0
193.05083	7.6
194.05840	7.1
195.06616	1.5
203.07143	2.7
205.08719	17.1
207.06693	6.1
208.04021	1.0
208.07437	13.9
222.08955	1.9
223.06039	1.1
223.09674	1.3
286.04288	1.0
357.16391	1.0
359.11261	1.0
368.81995	0.8
374.13672	1.8
377.12244	1.3
389.16110	100.0
390.16455	10.8
419.17377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33689	0.5
52.84325	0.5
56.50495	0.5
57.03431	0.8
59.01382	0.6
60.13915	0.5
61.98833	0.5
64.64990	0.5
71.01372	2.0
71.26322	0.7
71.26690	0.7
71.84364	0.5
81.03459	1.5
85.02935	0.6
95.01396	0.6
101.02499	1.2
109.02961	1.0
111.00912	0.6
120.68499	0.5
121.02969	0.8
121.25456	0.6
123.00921	1.0
125.02456	4.2
134.03729	1.6
135.04507	0.8
137.02467	3.7
138.03290	1.2
139.00397	2.8
139.03966	0.5
145.02980	1.9
147.04536	3.6
149.06151	0.6
150.03206	0.8
151.04028	4.7
152.04752	0.9
153.01974	1.5
153.05602	1.4
161.06155	0.5
162.03242	1.2
163.04012	4.8
164.04929	0.7
165.01926	1.8
165.05569	4.1
166.02776	0.9
166.06271	0.8
167.03484	0.5
173.02480	0.6
173.06165	0.6
174.03302	2.9
175.02536	1.1
175.04019	15.3
176.04814	4.5
177.01987	1.1
177.05559	2.2
178.02744	0.9
179.03520	1.3
180.04297	10.2
181.05069	2.7
188.04800	2.7
189.05617	5.8
190.06372	19.4
191.03580	0.7
191.05473	1.0
191.07164	14.3
192.04300	1.5
192.07475	0.6
193.05083	10.4
194.05856	7.5
195.06596	0.9
203.07132	2.8
205.08707	16.3
206.05968	0.6
206.09087	0.7
207.06635	6.5
208.07428	8.4
222.09052	1.2
223.06093	1.0
223.09724	0.6
249.07678	2.3
317.06705	0.7
332.09067	0.8
347.11377	3.4
359.11215	1.8
374.13614	1.5
377.12497	5.0
389.16101	100.0
390.16412	8.8
419.17432	4.8
455.93958	0.5
599.17944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51005	0.5
59.01385	17.7
61.98837	3.1
65.34701	0.4
66.15540	0.5
71.01393	5.1
72.99321	3.7
73.02940	0.7
75.00880	33.2
75.60149	0.7
79.95737	0.6
83.01402	1.2
85.02950	2.0
87.04520	3.8
89.02455	6.2
95.01434	0.6
96.96033	0.9
99.00861	0.6
101.02455	2.4
113.02473	1.4
116.92915	0.7
117.01963	1.5
121.02905	0.5
135.03018	100.0
136.03384	1.6
159.03049	0.6
160.80951	0.5
161.04633	0.8
206.53749	0.5
229.25627	0.7
301.14230	0.5
377.21851	1.6
404.12540	0.9
418.96750	0.7
491.17145	1.1
539.27075	2.2
581.24481	1.6
582.32715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86260	0.3
51.88612	0.4
55.01878	0.8
56.86459	0.4
57.03450	1.1
58.00604	1.0
59.00685	0.4
59.01091	0.8
59.01384	11.3
61.98841	0.8
64.68838	0.4
66.69714	0.4
68.98329	1.3
68.98751	2.4
71.01387	7.8
71.05031	2.6
73.02951	2.5
74.66244	0.4
75.00868	1.3
83.01387	1.5
83.05017	0.5
85.02961	3.2
87.00879	0.9
89.02459	4.2
91.04025	1.5
95.01445	0.5
97.06622	0.7
99.00896	0.8
101.02448	6.4
101.06088	2.7
109.03011	0.6
111.00887	0.5
111.17238	0.4
113.02444	2.5
119.03496	1.6
119.12494	0.4
125.02429	0.4
125.09731	5.4
127.11295	7.6
133.01450	1.0
135.03006	2.1
137.09752	1.2
137.10896	0.3
139.11282	1.2
143.03560	1.0
151.00409	0.4
152.89549	0.3
154.99945	0.5
155.10771	2.9
157.12347	0.7
159.03041	0.5
161.04584	5.6
165.09174	2.8
171.10297	9.1
172.10582	0.4
177.01968	0.7
179.05565	0.5
183.10284	1.2
191.05595	0.7
199.09746	1.6
201.11340	64.2
202.11678	3.0
209.15395	0.6
225.14970	6.6
227.12842	0.7
243.16010	1.1
253.09305	25.6
254.09734	0.8
270.04901	0.4
271.05078	0.9
287.15024	1.4
291.19623	0.4
309.20724	3.3
327.18030	0.8
327.21786	11.1
328.22324	0.9
329.13901	0.5
345.22842	100.0
346.23154	7.6
369.13651	0.6
405.17618	0.7
463.25732	2.5
489.27249	0.6
521.33167	0.7
576.54376	0.4
581.31189	2.7
582.29626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03452	1.0
58.00594	1.3
59.01385	8.0
60.05916	0.5
63.03861	0.5
64.68847	0.6
69.11007	4.8
71.01393	5.6
71.05013	1.9
73.02941	1.1
75.00853	0.7
76.00405	0.5
82.40360	0.5
83.01385	0.9
85.02972	2.7
87.00855	0.8
89.02435	2.9
91.04048	0.9
93.03468	0.5
95.01402	0.7
97.06635	0.6
97.60008	0.5
98.22561	1.0
99.00857	1.0
101.02458	5.8
101.06103	2.1
101.46721	0.5
105.81139	0.5
109.30996	0.5
110.90307	0.5
113.02456	3.5
115.07656	0.8
119.03491	1.1
125.09754	4.8
127.11319	5.5
135.02977	1.5
137.09695	1.5
139.11272	1.1
150.29547	0.5
155.10814	3.2
161.04584	5.2
165.09181	2.8
171.10287	8.1
183.10316	0.8
199.09763	1.6
201.11351	57.3
202.11702	2.4
225.14981	5.8
243.15942	1.4
253.09317	24.2
254.09489	1.2
271.05496	0.5
281.54605	0.8
285.04095	1.4
287.15091	0.6
291.19656	0.8
309.20792	3.3
327.18085	0.7
327.21814	12.2
328.22174	0.8
345.22845	100.0
346.23166	8.5
403.41376	0.6
463.25699	1.1
581.31097	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	581.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98839	100.0
71.29073	1.1
96.96038	2.2
145.13983	0.8
279.23367	2.1
327.30408	0.8
386.61328	0.8
414.15887	1.0
545.34924	3.0
581.30798	2.4
583.70941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61784	0.4
60.77173	0.3
61.98840	100.0
70.15337	1.0
70.74760	0.5
78.95948	0.6
87.41830	0.4
101.65839	0.4
152.99644	0.7
227.63712	0.4
279.23260	1.8
281.23914	0.4
405.41641	0.4
504.31424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.5
61.98833	2.0
68.66417	1.2
71.01386	25.1
71.25345	1.6
72.99322	2.3
73.02946	4.1
83.05027	2.4
85.02957	17.4
87.00906	2.1
89.02443	4.7
90.97144	6.5
99.00906	3.9
101.02454	8.7
111.85840	1.6
113.02464	15.1
116.98754	2.7
118.96643	20.8
119.03539	2.1
128.98767	2.5
131.03546	11.4
132.98210	5.5
133.95355	1.6
140.98616	1.9
144.98178	3.4
145.05096	2.2
146.96129	3.9
156.98021	2.2
156.99092	5.2
158.99696	1.7
160.97675	5.6
168.98170	4.7
170.99782	11.1
182.99792	3.0
186.99290	3.1
189.00777	2.5
191.95847	1.9
198.99353	6.8
199.02916	2.1
210.99342	6.9
217.00276	6.3
223.02975	2.2
226.98701	2.7
229.00276	7.9
259.01370	17.2
263.07794	2.6
263.11160	2.1
268.70981	1.4
283.05142	8.7
300.95599	1.8
301.06247	8.8
303.00284	2.1
319.03635	9.6
323.09937	1.7
343.07172	4.6
361.08292	3.4
363.70288	1.6
391.12711	2.4
425.16638	6.3
445.10236	3.6
463.11328	18.1
505.12360	3.3
507.10587	6.8
523.13519	100.0
524.14111	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	583.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
58.97039	0.6
59.01387	15.8
61.98524	1.0
61.98835	14.1
70.90285	0.7
70.90634	1.3
71.01387	9.1
72.01719	0.6
72.99303	0.7
73.02952	2.9
83.01408	4.1
83.05011	1.2
85.02948	2.3
87.00899	1.3
89.02457	4.1
94.64661	0.7
95.01398	4.4
97.02904	0.9
99.04515	2.0
101.02444	6.7
109.03002	0.8
111.00875	0.9
113.02465	3.5
119.03421	0.8
121.06580	0.7
123.00905	21.1
125.02435	1.7
126.23007	0.6
131.03505	1.2
131.41174	0.6
135.08179	1.0
137.09731	2.1
138.03232	10.8
141.05626	0.8
150.03246	3.0
153.01947	1.5
153.05641	4.1
161.04564	1.2
161.09688	1.5
163.07697	3.7
165.05571	2.7
166.99870	26.0
179.10765	1.4
181.01491	1.2
181.08702	5.3
182.02228	65.5
183.02695	2.8
195.06683	1.5
197.04562	100.0
197.11865	2.7
198.04854	3.7
203.10880	1.1
209.08315	0.8
221.11868	1.0
223.09734	6.1
241.10835	4.9
247.09837	1.1
265.10809	2.7
283.11853	1.9
285.07663	2.1
289.10999	1.0
289.16562	1.1
300.10065	1.8
307.11945	1.2
325.12894	2.8
331.11856	1.2
335.48428	0.7
385.15134	7.3
421.20975	5.1
465.27072	6.5
535.20209	0.8
565.21729	0.8
583.20038	2.9
583.29449	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73920	7.4
59.01402	13.4
68.74690	10.9
68.95866	100.0
71.01376	13.7
98.22544	18.0
142.57103	8.9
149.99568	9.4
154.96376	9.8
164.04681	8.6
165.05611	24.3
169.22240	8.9
173.93828	7.9
179.07156	16.1
195.06635	35.0
421.18399	25.6
461.02551	9.0
501.45551	8.7
501.53012	8.9
511.18741	9.6
520.38770	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	583.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59547	0.4
53.17768	0.3
57.03447	0.6
57.08443	0.4
59.01382	18.1
61.98833	2.4
69.03459	0.4
69.78924	0.4
71.00983	0.6
71.01388	13.6
72.99316	3.8
73.02951	4.9
75.00879	30.2
76.01270	0.3
83.01389	2.4
83.05000	0.4
85.02961	4.0
87.00880	1.4
88.98846	1.3
89.02454	11.5
89.03981	1.1
89.11099	0.3
90.54065	0.3
93.06890	0.4
95.01389	0.4
96.96008	0.8
97.02913	0.4
99.00885	1.3
101.02451	7.5
113.02465	5.2
117.01967	1.7
117.07081	3.1
119.03544	2.2
131.03531	2.6
135.03012	100.0
136.03395	2.1
143.03502	1.2
145.01465	1.0
149.04575	0.5
150.03250	1.0
159.03061	0.7
161.04565	4.3
165.05597	0.9
179.05595	4.7
187.11336	0.8
188.11714	0.4
195.06720	0.6
199.11375	0.4
205.03488	0.4
217.12329	4.7
218.12691	0.5
221.06641	5.9
263.07755	1.2
285.04044	1.2
303.07480	0.4
309.81552	0.4
454.14517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
59.27649	1.8
61.98830	15.5
69.25279	6.3
69.25703	4.4
71.01366	5.1
83.01384	2.1
85.02928	2.7
87.70824	1.4
93.03467	4.8
101.02457	3.5
113.02452	4.4
113.90685	1.7
121.02975	5.2
122.03763	13.3
125.02431	1.8
136.01654	5.5
137.02487	1.8
149.02451	20.2
150.03244	90.8
151.00337	2.0
151.04053	7.1
156.41350	1.4
164.04807	2.4
165.05589	100.0
166.02727	3.9
166.05890	4.3
180.04350	7.8
181.05060	6.4
195.06650	62.0
196.07048	3.6
306.27881	1.6
357.13513	8.5
372.11984	1.8
387.14645	11.1
535.19995	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	583.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09851	0.8
57.03455	1.3
59.01385	12.0
61.98835	2.0
67.16084	0.9
69.11906	3.5
69.12337	3.5
71.01397	10.6
73.02965	3.9
73.52227	0.8
75.00858	1.5
75.05649	0.9
78.95895	1.0
80.91650	1.3
81.03454	1.2
82.95398	0.9
83.01393	1.8
85.02962	13.3
85.45344	0.9
87.00893	1.5
88.21805	0.8
89.02454	3.5
89.03967	1.1
91.05492	0.8
93.03460	4.2
95.01445	1.3
96.96018	13.3
96.96992	0.9
97.02976	1.1
97.74625	0.9
99.00874	1.9
99.04518	1.1
101.02452	8.2
113.02464	13.0
115.92072	1.6
116.92879	4.6
119.03503	1.1
121.02976	5.4
122.03763	16.0
123.04535	1.8
125.02477	5.4
127.53528	0.7
131.03526	8.7
133.02946	1.5
135.04585	1.1
136.01631	2.1
136.45168	0.8
143.03510	1.1
145.05054	1.5
146.03732	1.1
149.02464	35.2
149.04483	2.1
150.03247	94.4
151.03677	2.7
157.05113	4.7
161.04562	2.5
164.04831	6.9
165.05588	100.0
166.05992	4.4
177.05609	3.0
179.05614	3.1
179.07059	1.4
180.04327	6.0
190.06374	1.0
195.06647	55.9
196.06990	2.4
203.07144	1.6
217.06648	0.9
217.12288	4.5
217.38687	0.9
221.06586	2.7
240.07779	1.0
263.07648	1.7
266.52228	1.0
268.07416	3.3
280.07327	2.2
281.08636	1.3
283.06281	1.0
283.09787	1.9
294.08844	0.8
295.09607	1.7
296.06845	1.5
297.11282	1.2
299.09232	1.3
307.09708	1.7
308.07056	2.2
308.10452	1.6
309.07648	2.1
311.09244	2.0
312.06439	1.9
322.08533	1.1
323.09326	3.8
324.06589	1.9
324.10025	3.2
325.10931	2.7
325.22440	0.9
326.08307	0.9
326.11530	5.2
327.08740	5.8
337.11020	1.4
338.11649	1.9
339.08777	9.2
339.12396	1.6
341.13895	1.2
342.10995	4.5
347.09460	1.5
354.11069	3.1
355.11783	1.3
357.13474	23.2
358.13681	2.3
369.13470	21.9
370.13724	2.3
409.13382	2.8
451.14984	1.0
461.16171	1.4
465.15845	1.0
479.90076	0.9
487.17831	1.9
489.15021	1.0
505.18750	7.7
517.18884	1.8
520.17682	1.0
522.88312	0.9
535.19781	36.9
536.20209	7.0
583.21698	1.7
583.30243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50215	1.5
57.03451	2.0
59.01396	8.0
61.80262	1.6
61.98841	11.3
68.96342	1.4
70.82407	2.2
70.82747	2.7
71.01392	7.8
73.02956	2.2
73.93869	1.7
75.00879	2.0
82.36892	1.4
85.02950	12.4
89.02469	3.0
93.03463	2.4
101.02464	3.9
113.02477	10.0
113.41456	1.6
116.92820	1.7
121.02968	3.4
122.03758	13.5
131.03503	5.9
135.03023	3.6
141.05750	1.5
149.02444	18.1
150.03246	86.8
159.65912	1.4
164.04761	2.8
165.05588	100.0
166.05951	3.7
180.04260	3.6
195.06648	68.6
196.06949	3.9
210.07356	1.5
263.07532	1.7
268.07394	1.9
292.45966	1.5
323.09598	3.1
327.08737	7.2
339.08743	8.6
342.11118	4.7
354.10919	3.6
357.13422	23.5
358.13898	2.7
369.13412	21.0
370.13669	2.8
529.30420	1.7
535.19696	2.3
583.21930	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	583.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90912	0.9
59.01388	10.1
61.98834	1.9
65.00321	1.1
71.01401	6.0
73.02970	1.7
75.00888	8.8
79.89182	0.9
80.91701	1.2
83.01375	1.4
85.02950	3.0
89.02450	2.1
89.07681	0.9
93.03478	4.8
96.96011	2.6
99.00889	1.2
101.02456	3.3
107.01427	1.2
108.02179	1.0
109.02946	1.9
113.02449	2.3
115.28118	1.1
121.02969	15.1
122.03759	17.4
123.00909	1.3
123.04520	1.5
124.01672	2.1
132.02242	1.6
133.02968	2.0
134.03760	1.6
135.02997	7.4
135.04543	7.4
136.01688	13.3
137.02429	3.4
138.03275	1.0
147.04559	1.8
149.02463	30.8
149.06039	1.4
150.03244	100.0
151.00404	6.7
151.04045	14.0
152.01100	1.8
161.06070	1.3
162.03160	1.0
163.04041	2.6
164.04779	4.7
165.05589	94.8
166.02727	8.9
166.05829	4.4
167.03462	1.2
173.46802	0.9
175.04063	2.9
177.01851	1.3
177.05531	1.0
180.04327	7.6
181.05066	12.1
189.05576	3.4
190.06387	5.1
195.06650	48.3
196.07004	1.8
205.08684	2.6
217.06638	4.8
239.03513	1.1
250.35176	1.1
266.05762	1.1
282.05222	1.2
315.08847	1.7
325.10880	1.4
329.10361	3.3
342.11063	2.2
355.11942	1.6
357.09705	2.7
357.13443	8.9
373.12811	2.4
387.14536	28.2
388.14828	1.6
391.04584	7.4
433.05414	1.1
442.62265	1.2
505.18784	4.6
535.19806	43.1
536.20135	4.0
541.17841	1.1
583.08917	12.9
583.18347	1.5
584.09155	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56666	1.3
57.03453	1.8
59.01384	100.0
61.98819	4.5
69.13613	12.4
71.01390	14.3
75.00875	4.2
79.25599	1.3
82.46136	1.3
83.01360	1.7
83.05038	2.5
85.02944	4.5
87.00899	2.2
88.04044	5.9
89.02448	10.4
95.14375	1.4
97.06589	3.9
99.04528	20.3
101.02472	7.8
107.05041	2.2
113.02468	3.7
119.03565	3.0
123.08182	2.0
125.06113	8.0
127.05116	1.8
135.03050	9.9
163.11266	1.9
167.07178	5.1
179.05611	1.5
185.08224	16.9
191.05482	2.6
205.12367	1.9
223.13420	11.2
225.11429	2.7
241.14464	17.9
243.12704	2.3
267.12631	2.1
285.13452	45.7
286.13870	3.2
303.14600	3.7
403.16110	7.4
409.39273	1.4
421.16879	1.9
465.19748	50.5
466.20102	5.0
565.30078	3.0
583.22504	61.3
583.30798	5.1
584.22980	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	583.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55280	1.6
57.03453	2.5
59.01388	100.0
59.63262	1.4
61.98821	4.6
63.26602	1.5
63.94895	1.6
68.97102	7.0
68.97531	7.3
71.01397	13.3
72.99315	2.0
73.02955	2.4
73.96954	1.4
74.63914	1.4
75.00866	4.4
78.82334	1.2
83.01378	1.6
83.05019	2.7
85.02959	5.0
87.00865	3.1
88.04072	2.5
89.02468	11.1
97.06582	1.9
98.22541	2.7
99.04536	21.2
101.02467	7.6
107.05007	1.9
111.00852	1.4
113.02448	3.1
119.03462	2.4
123.08185	3.2
124.13277	1.5
125.06129	10.1
135.03017	10.8
163.11259	2.8
185.08226	14.7
193.29704	1.6
223.13348	7.2
241.14514	14.8
267.12296	2.6
285.13474	46.4
286.13721	1.6
303.14566	4.0
339.09949	1.6
403.16187	4.2
417.82291	1.8
421.17001	2.1
465.19846	52.3
466.20151	2.6
583.22473	65.4
583.30365	3.2
584.22614	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	583.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	99.9
59.41350	4.2
71.01384	100.0
71.26498	5.5
72.99330	4.9
73.02947	25.0
75.00877	25.7
83.01395	12.7
85.02960	51.4
87.00876	13.7
89.02461	68.1
97.06590	5.1
101.02441	54.5
101.89699	4.6
113.02446	46.6
117.07113	42.0
119.03508	27.0
125.02436	7.7
131.03510	30.9
135.03024	95.6
143.03528	10.4
150.03233	10.2
161.04584	37.4
165.05582	7.5
179.05621	63.4
187.11261	7.7
195.06674	7.4
210.31851	5.2
217.12343	61.2
221.06671	74.4
263.07742	9.4
440.28534	4.8
596.87732	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.0
59.01094	6.1
59.01383	100.0
61.98840	36.8
69.93047	8.0
69.93441	6.5
71.01392	75.6
72.99303	3.7
73.02953	17.7
80.91681	10.4
83.01382	10.9
85.02962	24.5
87.00885	10.5
89.02452	51.4
91.13038	3.2
95.01376	5.5
96.96030	4.5
99.00916	4.3
101.02456	49.1
109.43482	3.1
113.02468	37.4
116.92843	13.0
119.03516	21.2
121.02975	6.1
131.03506	12.0
141.01738	4.8
143.03488	8.6
145.01434	9.8
150.15297	3.3
154.99872	4.3
159.03041	4.5
161.04617	18.5
166.63303	3.1
176.85304	2.9
179.05653	46.3
203.43575	3.3
217.12143	4.0
221.06715	31.3
234.16301	3.0
263.07669	6.5
308.67004	3.0
318.13864	3.4
379.76331	3.7
407.88431	3.6
494.10471	3.1
598.14838	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	583.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83087	1.2
55.01887	2.9
57.03469	1.6
59.01388	72.5
61.98835	17.1
69.44686	2.6
69.45101	4.1
71.01392	24.9
73.02966	10.9
75.00879	3.9
83.01401	7.1
83.74628	1.1
85.02965	13.6
86.00086	1.3
86.13809	1.1
87.00896	3.0
88.24820	1.1
89.02446	7.3
95.01428	3.7
96.96048	2.5
98.21854	1.8
99.00921	3.9
101.02455	21.4
111.00923	2.8
113.02470	9.4
123.00932	4.6
125.02510	1.6
135.03040	6.8
145.01448	2.5
150.03210	1.9
151.00365	1.2
159.03065	1.5
161.04625	3.9
165.05629	1.9
166.99994	1.5
168.00716	1.3
182.02296	1.5
195.06636	1.6
197.04608	3.4
198.90355	1.1
205.47786	1.2
235.51733	1.1
243.19797	1.3
253.09442	2.3
259.06183	2.6
280.90485	1.2
285.20972	1.6
289.16660	1.4
303.21951	1.4
311.73154	1.1
347.24435	7.0
361.15118	2.1
393.21771	1.3
405.25247	2.0
421.11740	2.5
421.21066	4.4
447.26260	3.1
465.27097	100.0
466.27383	8.8
541.28168	1.4
583.29950	47.3
584.30206	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98838	100.0
68.03593	0.3
71.01402	1.1
71.26898	0.6
73.02942	0.4
76.86469	0.3
84.89757	0.3
84.96597	0.3
89.02480	0.3
101.02496	0.4
106.00149	0.3
108.76696	0.3
137.02469	0.5
149.02467	0.4
150.03217	0.6
157.89561	0.4
165.01955	0.8
165.05627	0.6
195.06668	0.8
197.04698	0.4
328.16672	0.4
493.06570	0.3
503.05536	0.4
537.21588	0.7
585.22736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21251	7.3
59.01379	100.0
61.88943	6.4
61.98836	91.8
64.38949	6.9
71.01389	62.2
71.11463	8.3
71.11797	13.7
73.02937	13.4
80.91699	11.3
84.75401	7.8
85.02963	45.6
87.00872	15.9
89.02451	47.8
96.96033	17.5
101.02464	38.3
102.05643	12.2
113.02452	40.1
114.02826	12.0
115.92081	12.4
116.92867	32.8
119.03516	23.8
128.03587	53.1
131.03532	27.9
143.03584	9.8
145.01450	11.0
146.04639	20.7
149.02478	8.6
149.93977	8.0
161.04552	16.6
164.04837	7.7
165.05609	13.8
179.05734	40.5
195.06635	15.6
221.06712	21.1
224.14012	8.3
240.75862	8.9
263.07727	22.7
288.83353	8.8
455.28647	22.6
513.97357	8.2
584.33081	70.5
585.16241	8.9
585.33716	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	585.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12700	0.6
56.18925	0.6
59.01388	6.6
61.98836	2.6
63.13847	0.5
71.01395	3.4
71.28157	0.9
73.02970	0.9
77.59916	0.7
83.01380	0.6
85.02957	1.3
89.02431	0.6
95.01461	0.6
96.96033	2.1
98.95599	1.2
99.00900	0.9
99.92599	16.3
100.92618	0.9
101.02463	1.2
103.00408	0.6
103.46599	0.5
113.02436	1.0
115.00368	0.6
115.92095	30.9
116.92877	100.0
117.92908	4.4
118.98073	2.1
124.68946	0.6
125.02457	1.0
141.93726	0.7
142.94424	1.4
161.04570	1.1
169.01285	0.6
184.91782	1.5
187.71263	0.6
242.96005	0.9
255.03035	1.0
333.57449	0.7
369.73480	0.7
406.56436	0.6
446.08884	0.8
455.92484	0.6
458.03189	1.0
463.14328	3.2
464.14960	0.7
481.15347	1.3
499.16495	2.5
505.15335	2.0
523.16315	0.9
541.17474	4.6
583.96063	0.7
585.16443	15.0
585.25262	1.1
586.16504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.3
61.98827	3.4
63.93769	1.1
70.79893	2.6
71.01401	6.3
72.99317	1.0
73.02956	1.9
83.01408	2.0
85.02968	2.9
87.00878	1.3
87.44301	1.1
89.02462	2.4
96.96025	2.7
99.92591	18.4
100.92565	1.1
100.93423	0.9
101.02454	2.0
113.02457	3.4
115.47986	1.1
115.92094	30.2
116.92873	100.0
117.92901	4.4
142.48538	0.9
148.16570	1.0
149.02487	1.0
150.03281	1.9
161.04625	2.1
165.05658	2.1
166.05971	1.2
184.91875	1.6
189.35770	1.1
191.05644	1.3
195.66319	1.0
231.01762	1.0
253.86798	1.1
264.81931	1.1
348.77707	1.1
407.72784	1.2
408.26584	1.1
463.14249	3.3
464.14572	1.3
499.16403	2.1
500.17310	1.2
505.15656	1.7
541.17511	3.1
584.34198	1.9
585.16455	11.9
585.35260	2.2
586.16986	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	585.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	48.6
61.61605	9.9
61.98838	100.0
71.01387	38.9
73.02934	15.3
85.02955	15.1
89.02465	33.8
100.14328	11.8
101.02471	13.2
108.75921	12.6
113.02457	18.0
119.03539	11.1
121.03001	11.7
122.03739	15.1
131.25491	11.4
134.03754	12.9
135.04483	11.4
149.06071	25.8
150.03238	22.3
158.14746	12.6
165.01978	12.7
165.05576	48.5
167.07169	58.6
179.03517	15.8
179.07141	35.3
180.04338	12.5
195.06648	24.8
197.04547	18.9
221.08206	11.6
326.99417	11.1
363.14536	24.5
387.20251	32.6
471.41174	11.3
549.25549	31.6
572.02759	13.3
576.74329	12.5
584.43524	11.5
585.23090	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15895	13.3
53.50254	14.0
56.30885	13.4
58.82331	15.3
58.87043	15.8
59.01374	54.2
61.98843	100.0
70.82876	37.4
71.01376	39.4
87.00881	21.2
89.02467	38.8
101.02464	35.9
119.03455	20.4
134.03723	22.2
149.06082	26.6
150.03284	34.3
153.84111	14.6
165.05573	62.4
167.07150	81.7
179.07129	32.2
195.06667	29.1
197.04530	20.4
224.31094	17.2
232.45345	17.3
387.20352	31.9
398.10007	14.7
549.25403	18.7
585.23303	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72853	2.5
59.01376	8.1
61.98839	37.7
69.12577	20.2
71.01416	6.6
85.02965	2.8
89.02422	4.0
91.36320	2.8
96.96038	7.5
96.96989	3.2
101.02483	3.7
119.05063	3.3
134.03761	5.4
135.04550	17.5
138.03275	6.0
148.74149	2.8
149.02458	6.7
150.03252	11.5
153.05626	4.3
163.04010	10.6
164.04823	25.4
165.05589	18.8
166.02751	4.2
176.04811	12.3
177.05550	8.0
178.02730	3.6
179.03520	9.5
191.05708	3.6
193.05037	10.2
194.05890	3.5
195.06628	9.7
196.03850	9.0
259.84421	2.7
269.04813	3.2
312.06500	4.4
330.11163	13.4
342.11160	14.7
345.13474	20.1
357.13351	13.8
360.12225	3.6
363.07104	6.0
375.14502	100.0
376.14896	9.2
385.81564	2.6
423.16498	3.6
481.22647	3.0
537.19885	26.2
538.20306	4.3
593.81586	3.2
601.91376	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	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01094	1.6
59.01383	23.0
61.98831	9.7
67.01866	1.1
68.95553	11.4
71.01389	9.4
73.02960	3.1
75.00894	1.1
75.75475	1.0
81.83926	0.9
83.01395	3.5
85.02941	4.5
87.00907	1.7
89.02448	2.6
93.03473	2.1
95.01401	3.1
96.96088	1.2
97.02979	1.1
99.00915	1.7
99.04512	1.2
101.02453	4.7
108.02186	50.8
109.02973	41.4
110.03265	1.5
111.00903	2.8
113.02453	2.4
115.00362	1.9
119.03526	1.0
121.02941	1.3
123.00936	1.9
123.04593	1.2
133.03078	1.2
135.04475	1.8
142.37875	1.0
145.01459	12.7
150.03200	1.3
150.84605	1.2
151.04047	1.1
152.01169	56.6
153.01959	22.8
154.99915	1.2
163.04070	1.8
165.05569	1.6
187.09688	1.1
191.05650	1.4
195.06670	2.0
197.04628	1.6
208.35425	1.1
213.00362	3.1
225.14827	1.3
227.12959	2.9
297.06317	1.3
315.07285	5.9
321.57358	1.3
357.08328	5.6
523.21948	3.1
541.22766	4.0
567.20734	6.0
585.21899	100.0
586.22314	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	585.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
59.01094	1.6
59.01383	23.0
61.98831	9.7
67.01866	1.1
68.95553	11.4
71.01389	9.4
73.02960	3.1
75.00894	1.1
75.75475	1.0
81.83926	0.9
83.01395	3.5
85.02941	4.5
87.00907	1.7
89.02448	2.6
93.03473	2.1
95.01401	3.1
96.96088	1.2
97.02979	1.1
99.00915	1.7
99.04512	1.2
101.02453	4.7
108.02186	50.8
109.02973	41.4
110.03265	1.5
111.00903	2.8
113.02453	2.4
115.00362	1.9
119.03526	1.0
121.02941	1.3
123.00936	1.9
123.04593	1.2
133.03078	1.2
135.04475	1.8
142.37875	1.0
145.01459	12.7
150.03200	1.3
150.84605	1.2
151.04047	1.1
152.01169	56.6
153.01959	22.8
154.99915	1.2
163.04070	1.8
165.05569	1.6
187.09688	1.1
191.05650	1.4
195.06670	2.0
197.04628	1.6
208.35425	1.1
213.00362	3.1
225.14827	1.3
227.12959	2.9
297.06317	1.3
315.07285	5.9
321.57358	1.3
357.08328	5.6
523.21948	3.1
541.22766	4.0
567.20734	6.0
585.21899	100.0
586.22314	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	585.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81020	1.5
59.01394	8.7
61.98829	3.7
69.20516	1.9
69.25263	3.7
69.25669	10.9
69.44499	1.8
71.01381	5.8
73.38826	1.8
75.57974	1.6
83.01360	2.3
85.02962	6.8
89.02452	4.5
101.02453	4.3
113.02450	5.1
121.02980	4.6
122.03754	12.5
131.03551	3.0
133.02921	2.0
139.17961	1.5
145.02995	1.9
149.02452	15.3
150.03242	79.8
151.03531	1.8
151.61426	1.8
164.04794	5.5
165.05594	100.0
166.05898	2.9
175.03975	2.4
177.23680	1.8
180.04294	6.9
189.05687	2.3
190.06352	4.3
191.07164	2.6
195.06630	64.4
205.08701	3.6
316.77505	2.0
342.95663	2.6
346.99188	1.9
359.15015	23.3
537.21021	4.4
549.88086	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	585.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93732	0.9
59.01385	6.8
61.98807	1.3
71.01383	4.0
73.02942	1.4
86.18046	0.9
89.02436	1.2
90.34280	1.0
93.03470	7.2
95.05051	1.0
98.21803	4.0
101.02438	2.5
109.02969	4.0
112.17177	0.9
113.02473	1.7
116.92857	1.8
121.02970	12.0
122.03761	16.4
123.04505	1.0
124.01675	1.0
131.62433	0.9
132.02222	1.8
133.02940	3.5
134.03748	1.8
135.04532	4.0
136.01659	1.4
137.02495	1.2
147.04527	2.4
149.02455	38.6
149.06081	2.4
150.03241	98.5
151.03671	3.2
162.03271	1.6
163.04016	6.9
164.04816	8.0
165.05583	100.0
166.05931	3.4
170.65454	1.2
174.03304	1.2
175.03996	8.1
176.04683	2.2
177.05653	1.8
180.04282	10.7
181.05078	1.2
188.04742	1.5
189.05615	3.6
190.06342	10.7
191.07141	6.2
193.05046	4.5
194.05794	6.5
195.06638	56.0
196.07005	2.3
203.07152	1.6
205.08661	8.5
206.06055	1.0
207.06575	6.0
208.07388	3.7
229.20598	1.5
343.11633	1.0
344.12793	1.7
345.13248	4.9
355.11975	1.1
357.13370	1.9
358.14200	1.4
359.15027	57.8
360.15433	4.5
368.62463	1.1
486.45279	1.1
507.20319	5.1
537.21368	59.8
538.21655	7.2
585.23267	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	585.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.8
66.73468	4.1
70.51575	3.8
70.83811	10.4
71.01385	54.4
73.02943	13.1
75.28108	4.1
83.01397	8.3
85.02984	14.5
87.00874	4.9
89.02456	35.5
93.89500	3.9
96.96007	6.4
101.02448	28.0
113.02498	23.2
119.03484	14.7
143.03520	4.4
149.02414	4.8
149.17249	4.7
150.03236	9.3
161.04605	22.7
164.07201	5.3
165.05595	6.8
179.05583	19.4
193.05122	4.8
221.06699	13.7
263.07803	8.8
270.67886	4.3
300.69647	4.7
386.03207	4.8
387.20212	25.3
549.25610	100.0
550.25635	10.0
585.23383	33.3
586.23621	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	586.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30924	0.4
57.72485	0.4
61.98838	100.0
68.74461	0.4
68.99540	4.4
89.59553	0.4
104.34447	0.4
109.09683	0.4
109.11749	0.4
111.00893	0.4
150.03279	0.6
165.05626	0.7
169.65599	0.4
195.06825	0.5
332.81680	0.5
453.48602	0.4
538.87549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56060	0.3
52.88153	0.4
61.98838	100.0
71.12949	0.6
75.08303	0.4
85.21610	0.4
104.64524	0.4
111.00938	0.5
150.03258	0.6
151.04094	0.5
165.05615	0.5
180.04364	0.5
195.06621	0.4
199.73044	0.4
225.73781	0.5
226.08057	0.5
250.11819	0.5
464.60550	0.4
509.90799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25906	0.3
58.14680	0.2
58.75525	0.3
61.98838	100.0
69.06114	1.6
69.06516	0.7
70.82126	0.3
85.83276	0.2
96.69211	0.2
117.25303	0.3
129.83704	0.2
147.04625	0.3
149.79662	0.3
150.03336	0.4
165.05644	1.1
195.06764	0.3
216.26157	0.2
234.16705	0.3
235.19603	0.2
412.19687	0.3
422.19189	0.6
423.19507	0.7
424.19693	1.0
477.98175	0.3
490.33737	0.3
556.83569	0.3
561.37598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60533	0.2
59.01394	0.6
61.98838	100.0
62.98544	0.2
69.07603	2.1
71.76817	0.2
78.15981	0.2
79.95636	0.2
85.02956	0.3
93.03482	0.3
101.02450	0.2
106.57502	0.2
111.45451	0.2
113.02522	0.2
135.04620	0.3
147.04617	0.3
165.05537	1.1
167.75868	0.2
173.04521	1.4
176.01398	0.2
179.03682	0.4
191.05736	0.4
196.42163	0.2
229.24710	0.3
462.18411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
59.01376	1.3
61.98837	4.6
67.01904	3.1
69.41645	1.7
71.01382	0.9
73.02985	0.3
85.02967	0.6
87.00890	7.7
89.02444	1.0
96.96018	0.7
96.96983	0.3
101.02455	0.7
107.92645	0.2
111.00897	100.0
112.01233	1.9
113.02448	0.4
119.01377	0.4
147.04547	0.5
154.99939	0.3
158.03751	0.4
165.05571	1.1
173.00932	9.4
179.05626	0.4
193.05070	0.4
207.06667	0.3
268.07321	0.3
280.07333	0.7
281.07938	0.3
283.09726	0.3
294.09180	0.6
295.09698	0.8
309.07825	0.6
310.08493	0.7
313.10992	0.7
320.05182	0.3
325.10919	2.6
343.11954	0.4
347.09241	0.4
445.89127	0.3
475.15845	0.3
487.15961	0.5
497.13358	0.4
505.17175	1.8
587.19781	2.6
588.20520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48540	0.2
57.03455	2.2
59.01384	2.3
61.98829	1.0
67.01904	3.7
71.01390	1.4
71.27157	0.4
73.02948	0.3
73.45749	0.2
76.60559	0.2
83.01393	0.5
85.02955	1.0
87.00887	3.1
89.02444	0.5
96.96011	0.4
101.02467	1.1
111.00896	100.0
112.01254	1.8
113.02431	0.3
119.03458	0.4
135.02942	0.3
136.07780	0.2
153.39485	0.3
154.98428	0.2
154.99821	0.3
161.04572	0.3
173.00937	8.3
173.02402	0.5
179.05672	0.5
195.86176	0.2
203.10826	0.3
221.11992	0.5
245.93173	0.3
250.30795	0.3
276.52701	0.3
387.20267	1.0
549.25568	1.0
551.26160	0.3
587.23334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03441	3.9
59.01386	97.6
61.98834	35.8
67.01884	1.4
68.99805	4.5
69.03472	1.5
71.01388	15.9
71.05007	1.8
72.99313	3.1
73.02943	5.8
75.00877	3.9
77.94135	1.3
82.95421	11.9
83.01387	10.2
83.05018	2.8
85.02968	10.3
87.00882	9.0
89.02467	8.1
93.03453	1.5
95.01434	2.0
96.96036	10.2
98.21720	2.4
99.00895	5.6
99.04544	1.6
101.02496	8.0
111.00908	5.9
112.98818	2.9
113.02479	11.1
113.99614	18.6
115.00407	8.0
116.92896	1.9
119.03541	4.1
125.02456	5.4
127.00392	3.8
129.01947	3.6
135.02995	1.9
135.04538	1.8
139.00386	6.8
143.03499	1.5
147.81409	1.1
151.00432	1.3
154.99893	11.2
157.01443	4.9
161.09801	2.0
163.11368	1.4
169.01501	2.0
172.19443	1.2
174.01686	8.4
175.02426	2.8
179.05605	2.6
179.48697	1.3
191.05629	1.9
207.10258	2.8
223.13423	30.8
224.13783	1.8
229.22357	1.5
243.12418	1.8
247.08702	1.4
267.12384	11.0
277.05673	26.8
285.04160	7.4
286.04691	1.5
301.05896	1.2
319.06738	8.2
337.07803	96.0
338.08237	4.5
425.04102	12.6
425.54205	3.0
587.19849	100.0
588.19952	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	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15549	2.3
59.01097	5.7
59.01384	100.0
62.59995	2.5
64.83566	2.4
65.34913	2.3
71.01390	27.0
71.61163	2.1
73.02946	24.0
83.01382	7.3
85.02962	4.5
89.02438	10.8
101.02452	22.7
108.24009	2.9
113.02464	17.6
119.03506	7.0
148.65617	2.7
161.04564	9.9
179.05554	8.6
183.39433	2.9
195.46156	2.7
238.90271	2.7
247.73738	2.8
285.04117	3.8
288.98236	2.7
552.78442	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	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30641	9.6
59.01388	74.8
59.17857	11.1
59.32169	10.1
69.02080	100.0
71.01359	13.8
101.02435	13.0
111.00729	9.9
113.02423	15.8
133.40164	10.4
135.02988	15.2
170.58990	10.6
224.56747	11.5
231.44026	11.6
242.00835	11.4
587.27277	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	587.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60188	3.7
53.08631	3.7
54.72396	3.8
59.01388	100.0
61.98840	5.8
63.78723	3.9
69.08548	28.4
69.08955	8.4
71.01386	29.4
73.02938	14.1
75.00863	8.4
80.96528	20.1
83.01440	4.1
85.02955	11.6
89.02471	11.4
94.98104	4.3
95.70139	4.4
96.96017	28.7
101.02431	20.1
113.02467	19.4
119.03488	8.0
121.28685	4.4
132.83023	4.8
135.03058	10.9
161.04593	6.9
165.05548	5.5
201.01883	4.3
204.19182	4.0
225.00580	4.3
237.92094	4.6
258.69708	4.0
282.76898	5.6
285.04031	10.2
287.58072	4.6
587.28351	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	588.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12945	0.2
59.01390	0.4
60.58331	0.2
60.82258	0.2
61.98836	100.0
63.99270	0.6
69.43449	1.2
71.01395	0.3
73.41724	0.2
79.78439	0.2
85.02980	0.2
95.73313	0.3
98.22497	0.3
101.02499	0.2
111.00884	0.5
127.05176	0.2
128.03619	0.2
155.49277	0.2
165.05725	0.3
185.80371	0.2
328.56671	0.3
418.93100	0.2
484.67493	0.3
580.95398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54877	1.2
53.91987	1.1
57.03439	2.2
59.01385	58.7
60.01697	1.1
60.59201	1.0
68.78202	1.2
68.99808	1.9
71.01384	10.9
72.99315	2.2
73.02943	2.7
75.00860	2.1
83.01377	2.8
83.05035	1.7
83.86785	1.0
85.02979	7.1
86.68721	1.1
87.00881	4.4
89.02451	4.6
90.25384	1.0
95.01390	2.6
99.00884	2.5
99.04494	2.2
101.02447	6.3
102.04047	1.2
102.09039	1.1
109.06628	1.2
111.00865	2.5
113.02457	10.8
115.00402	1.1
119.03535	2.3
125.02451	1.3
129.01958	1.8
131.03499	1.2
135.03021	7.1
139.00359	2.2
147.03043	1.8
151.00383	1.2
154.99915	1.9
161.04570	2.6
165.12830	2.0
179.05627	2.0
203.05676	2.4
207.13992	1.8
209.11871	5.8
211.44627	1.2
225.11327	2.4
225.14984	9.4
227.12892	21.6
228.13135	1.6
269.13904	6.9
277.05801	1.8
285.13501	3.7
287.15021	14.7
288.15494	1.5
337.07791	1.9
403.16074	5.8
571.20142	3.9
589.21399	100.0
590.21649	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	589.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.9
58.00599	2.9
59.01386	100.0
71.01394	50.0
72.99306	2.6
73.02955	44.2
75.00874	11.2
83.01397	16.5
85.02972	10.7
86.92123	2.0
87.00891	6.8
89.02460	23.1
93.03429	2.8
99.00932	4.4
101.02460	49.9
101.03133	3.0
111.00916	3.5
113.02460	21.4
115.00351	3.6
115.20963	1.7
119.03527	11.5
125.02484	2.9
131.03522	6.2
135.03012	32.3
143.03511	6.4
149.04581	8.7
154.99907	3.4
155.03586	2.6
161.04604	20.6
173.04489	2.3
179.05634	10.0
179.10750	2.1
191.05705	3.2
203.05643	2.7
205.12395	8.2
206.50919	2.1
221.06693	10.5
227.12878	1.9
233.15520	10.8
262.45889	1.8
263.07574	1.9
287.15076	7.0
309.02115	1.7
367.21591	2.5
460.18799	2.1
490.74048	2.2
583.13062	2.1
589.22955	8.1
590.31982	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
58.00585	2.3
58.68904	1.1
59.01385	100.0
61.98825	1.9
63.17791	1.0
65.47105	0.9
69.03456	1.2
71.01391	40.9
71.27368	1.4
71.27753	1.6
72.41727	1.1
72.99304	2.2
73.02956	50.7
75.00880	3.1
77.50096	1.0
83.01396	13.6
83.67087	0.9
85.02965	7.0
87.00922	5.4
89.02460	15.4
92.94850	1.2
93.03463	2.2
95.01388	3.3
99.00860	2.0
99.04588	1.5
101.02456	48.0
104.01894	1.2
111.00880	2.6
111.04584	1.1
113.02469	18.8
115.00410	1.9
119.03489	6.9
122.03779	1.4
125.02461	2.7
127.00380	1.2
129.02003	1.3
131.03514	6.3
133.01431	3.0
134.03743	3.8
135.03008	8.6
135.04503	1.4
137.02431	2.3
137.16551	1.1
143.03560	5.3
145.01437	1.6
147.02953	1.4
149.04565	8.1
150.03241	3.1
155.03506	1.7
161.04550	19.2
165.05582	2.5
167.07159	13.2
176.04701	1.6
178.02663	1.7
178.04077	1.1
179.05663	1.0
189.09229	1.3
191.05632	2.2
193.05119	5.6
203.05704	2.2
205.12340	1.2
221.06703	6.5
223.51372	1.2
233.15488	12.0
245.15385	1.3
287.16351	1.7
320.06796	1.3
321.64224	1.3
455.22766	3.4
589.23029	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
71.28340	1.1
71.73870	0.7
72.99311	3.0
73.24937	0.6
75.00880	100.0
76.01164	0.8
76.61079	0.7
120.37743	0.7
191.87659	0.8
198.12679	0.7
400.47787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43637	0.8
59.01387	6.2
60.55231	0.7
61.98829	2.5
72.99309	1.8
75.00880	100.0
76.01218	0.8
79.35981	0.8
99.92620	0.8
115.92117	1.2
133.65054	0.9
149.89789	0.8
213.53723	0.8
226.82161	0.8
239.16628	1.4
485.36337	2.1
590.40692	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13990	1.2
55.01887	11.5
57.03458	9.4
59.01387	77.3
59.58063	1.1
69.05684	2.4
69.06088	9.4
71.01390	20.0
72.99313	2.7
73.02943	7.6
75.00874	7.8
83.01397	13.6
83.05044	12.7
85.02963	5.3
87.00883	16.5
89.02454	10.7
96.96035	1.8
98.92963	1.5
99.00898	4.9
101.02451	9.6
109.06607	3.1
111.00903	2.9
111.04537	19.8
111.08192	2.9
112.98826	6.3
113.02475	6.0
115.00400	1.2
115.07656	3.0
117.01957	4.3
119.03516	3.4
123.08138	6.5
125.02483	1.4
127.00401	6.4
129.01950	4.3
135.03014	15.5
145.01421	7.4
147.02991	6.7
154.99890	69.7
156.00267	1.6
161.04570	1.8
163.11325	4.8
165.09273	4.4
169.01443	1.4
179.05797	1.9
181.12381	3.9
187.02475	2.8
191.05550	1.7
193.05054	1.5
197.11884	4.0
207.10416	2.4
216.82079	1.4
223.13405	7.9
225.11362	38.0
225.14853	1.8
226.11549	1.9
227.12956	4.9
241.14444	1.7
253.60345	1.3
260.50833	1.2
267.12451	4.5
285.13467	100.0
286.13873	7.2
287.15039	7.2
291.12292	1.6
309.13297	1.5
327.14478	3.1
385.14880	1.8
403.16147	68.3
404.16431	4.7
405.17505	2.9
407.19437	1.2
445.17307	4.5
458.18680	1.5
458.61322	1.4
465.37256	1.2
474.23376	11.5
508.73535	1.5
531.18298	1.5
531.27625	1.4
547.27484	1.9
591.26068	1.9
591.32233	1.7
592.26093	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	591.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
58.00593	1.2
59.01386	100.0
60.01713	1.4
67.01929	1.1
68.99798	4.5
71.01398	8.9
72.99297	1.5
73.02946	1.9
75.00874	5.6
75.21917	1.1
83.01402	2.9
85.02958	4.0
87.00885	13.7
89.02446	7.2
96.99334	1.2
98.00106	1.8
99.00887	1.9
99.04537	3.2
101.02448	6.5
109.06631	1.3
111.00056	1.1
111.00889	3.8
111.04518	1.1
113.02466	1.9
115.00380	1.1
119.03503	2.1
124.98823	2.0
125.02454	1.4
127.00402	1.2
127.07749	1.2
129.01965	13.7
135.03014	16.5
145.01440	1.6
147.02989	13.5
152.98315	1.9
154.99866	3.2
157.01463	9.7
165.12788	2.3
172.06122	1.5
179.05608	1.8
185.00887	4.0
186.73123	1.1
207.13936	3.6
209.11823	7.8
225.11475	1.4
225.14986	7.5
227.12926	47.6
228.13188	1.8
251.12831	2.0
255.03238	1.1
269.13998	12.9
283.02478	1.5
285.13522	5.1
287.15033	97.6
288.15399	6.0
298.58292	1.1
336.95007	1.1
399.16583	1.1
403.16086	4.4
405.17688	81.7
406.17816	6.0
411.20258	1.5
417.17401	1.5
429.06094	5.6
435.18475	2.2
547.27570	1.2
591.25391	4.8
591.33667	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	591.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09003	3.6
56.77981	3.7
57.03447	4.3
59.01387	93.2
61.93016	3.7
67.01872	5.2
70.17945	3.8
71.01389	100.0
72.97523	8.8
72.99303	5.1
73.02934	20.3
77.03966	4.7
81.03444	6.9
83.01394	5.5
84.04517	3.3
85.02959	28.9
87.00887	20.6
87.04518	8.9
89.02454	77.3
92.13654	3.7
93.03465	9.6
95.01393	6.8
95.05030	4.8
96.96029	9.1
96.96906	3.9
97.02953	6.5
99.00888	7.6
99.04468	3.9
101.01804	6.8
101.02448	67.1
105.03477	88.6
107.05046	8.4
109.02979	8.3
113.02469	57.2
114.54431	3.8
116.92837	8.8
119.03532	33.1
119.05048	7.6
123.04512	8.0
125.05986	4.6
131.03494	16.4
135.04529	20.3
137.06177	5.3
143.03513	12.0
159.02953	4.6
161.04561	30.0
161.06076	12.8
173.63033	3.5
177.05516	5.0
179.03563	4.0
179.03975	4.1
179.05656	42.2
179.07063	7.9
184.41829	3.4
191.05586	6.3
207.03069	4.0
213.79225	3.9
221.06656	30.1
231.10306	8.6
249.11270	15.1
263.07712	18.3
305.12405	5.0
330.29449	3.9
337.12579	4.6
369.08212	5.5
429.13934	9.3
456.23959	4.0
598.34399	4.6
609.83051	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	591.2619
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.65357	1.3
54.97937	1.1
60.27521	1.0
60.30905	1.0
69.33804	1.1
71.10970	2.2
80.96590	1.1
161.99388	1.3
303.73819	1.3
393.16931	1.2
459.22119	1.6
471.26196	1.4
497.24002	1.8
499.21194	1.4
500.22180	6.5
515.24579	100.0
516.24933	14.2
555.83362	1.4
559.23309	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	591.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.4
57.03458	2.2
58.00600	2.8
59.01385	100.0
60.01732	0.6
68.98235	0.7
68.98643	4.1
71.01389	55.6
72.01741	1.0
72.99306	2.5
73.02956	9.6
75.00884	1.1
83.01393	4.9
83.01786	0.5
85.02962	18.0
87.00881	3.9
89.02457	40.1
90.02811	0.4
95.01407	5.0
97.02940	0.7
98.21734	0.8
99.00349	0.5
99.00885	2.5
99.04581	0.4
101.02453	26.7
102.02802	0.6
102.80121	0.5
112.01688	0.5
113.02465	41.5
114.02790	0.9
119.03514	16.9
120.03827	0.5
120.75581	0.5
124.01718	2.0
125.02480	1.3
128.72908	0.5
131.03471	2.3
135.03027	1.2
137.09776	1.6
143.03505	5.2
145.68492	0.4
149.04599	1.4
150.35309	0.5
153.09259	0.8
159.02983	0.8
159.28754	0.5
161.04567	14.2
174.98314	0.5
179.05635	7.8
189.12920	1.0
207.14056	1.1
221.06955	0.4
225.15031	0.7
369.19168	4.5
387.20288	4.4
531.24475	34.3
532.24799	4.1
549.25574	29.8
550.25781	3.5
591.26794	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	591.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95992	1.2
55.01875	3.2
57.03445	3.8
58.00601	1.6
59.01385	100.0
60.01692	1.3
69.06712	11.9
71.01389	68.0
72.99311	3.2
73.02564	2.4
73.02952	17.4
75.00881	4.0
83.01381	11.5
84.32269	1.2
85.02960	24.3
86.89119	1.2
87.00889	7.4
89.02460	23.9
95.01363	7.2
97.02961	2.8
98.21777	2.7
99.00317	1.6
99.00866	7.4
101.02454	52.3
112.01691	1.3
113.02466	33.8
119.03526	9.8
125.02434	4.4
129.01950	1.8
131.03503	6.4
135.03011	12.0
136.22261	1.3
143.03500	5.6
159.02965	4.4
161.04579	31.8
162.04955	1.6
179.05667	21.5
183.47804	1.5
189.12862	4.1
221.06676	28.2
227.12776	2.7
263.07736	7.7
287.15012	7.9
387.20230	11.5
405.17596	4.0
429.21439	8.1
531.24188	2.1
549.25525	19.3
591.26746	16.2
592.26776	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33765	2.2
55.01884	2.9
59.01385	100.0
60.99281	3.2
69.50452	9.7
69.50864	4.9
71.01392	47.3
72.99296	2.8
73.02957	13.9
75.00880	3.0
83.01408	5.5
83.77820	2.5
85.02937	12.8
87.00903	6.9
88.98820	10.0
89.02451	29.6
91.57560	2.3
95.01405	4.0
97.86840	2.3
98.21860	4.5
99.00881	7.2
101.02457	29.3
105.01947	3.8
111.00872	3.1
113.02468	29.5
119.03527	8.1
125.02425	2.8
131.03528	2.5
135.03009	2.9
143.03505	3.4
149.04507	4.5
156.17227	2.4
161.04616	12.1
179.05611	7.4
191.05635	2.8
204.11165	2.7
283.22711	2.4
284.03098	3.3
285.04019	4.6
340.59409	2.3
365.27615	2.5
405.21591	3.7
473.27716	5.9
487.32800	6.7
528.92163	2.4
531.26978	7.9
549.29181	13.0
591.34033	26.7
592.33728	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	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82040	11.0
59.01383	100.0
61.98836	38.7
70.99794	19.8
71.01382	20.2
87.21805	11.8
113.02444	12.5
117.49018	10.7
201.32672	12.9
461.56192	12.9
487.32877	33.0
505.33945	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	591.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.32895	4.8
61.98835	14.4
70.02581	21.9
71.01395	32.6
73.02953	10.5
75.00922	5.1
82.95461	6.9
83.01395	6.7
85.02966	7.0
86.73238	4.9
89.02460	10.4
89.59941	5.1
92.93341	4.8
101.02456	12.6
110.24485	4.9
111.00871	5.8
113.02435	10.4
161.04495	6.6
273.51321	5.3
367.54288	6.2
368.22891	5.8
413.02914	5.5
423.85934	5.2
446.76981	6.2
487.32837	31.9
488.33194	7.0
505.34100	17.4
591.32428	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	592.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73051	5.5
51.77010	4.1
55.70190	3.9
59.01100	6.0
59.01389	100.0
71.01396	66.9
71.26305	6.1
72.01739	7.5
72.99288	5.1
73.02954	9.5
75.00877	9.2
83.01390	10.8
85.02957	26.7
87.00861	6.6
89.02459	52.8
93.03396	5.1
99.00909	7.8
101.02465	45.5
113.02460	36.7
119.03526	25.1
119.05022	4.0
131.03514	9.6
135.03004	8.5
136.61974	4.1
143.03516	8.3
161.04581	26.0
179.05643	20.8
189.12773	5.4
191.05602	11.8
221.06676	18.8
268.03809	20.1
269.04556	13.7
285.04190	5.2
297.56216	4.4
316.87250	4.7
357.09805	12.0
387.20425	15.1
431.09695	23.1
470.96436	4.1
532.25085	7.1
533.26361	5.8
549.25708	54.1
550.25555	14.0
593.15100	13.6
593.25433	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	592.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63586	1.7
55.01892	2.1
55.03353	2.1
57.03429	2.0
58.00583	1.7
59.01387	100.0
60.01717	6.8
61.43434	1.8
64.70794	1.7
64.92068	1.8
71.01391	57.5
72.01732	4.8
72.97546	1.7
72.99300	4.7
73.02948	18.6
74.03291	2.7
75.00881	4.7
83.01405	8.6
85.02966	15.7
86.03281	1.6
87.00898	4.9
89.02454	48.8
90.02803	3.6
95.01399	4.9
96.96060	2.2
99.00867	3.5
101.02457	42.4
102.02816	5.1
110.99083	1.8
111.00894	4.0
113.02467	32.7
114.02812	3.9
119.03512	20.4
119.04980	2.0
131.03545	4.3
135.03008	4.7
143.03529	6.8
149.04532	2.3
157.47585	1.8
161.04584	10.1
179.05577	11.5
239.03502	1.9
266.38065	1.7
268.03802	46.8
269.04553	33.8
285.04230	4.4
311.05530	2.5
354.61218	1.8
357.09369	2.2
387.20142	2.1
422.44717	1.7
431.09863	57.4
532.24817	7.1
549.25604	42.1
550.25970	10.8
593.14825	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.2
68.98250	1.4
68.98643	6.4
78.95913	5.0
79.95748	2.4
95.01523	0.8
96.96024	100.0
96.96932	9.8
109.31638	0.7
113.02437	1.1
116.92886	1.3
255.23233	1.3
279.23303	0.9
529.30365	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	592.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21280	4.0
52.24484	3.8
59.01385	100.0
59.21721	3.6
61.98843	19.8
62.44999	3.5
69.27428	32.3
71.01392	34.5
73.02949	5.7
75.00875	6.4
85.02948	11.5
87.00868	5.3
89.02455	9.0
89.50270	4.2
98.22508	8.5
99.00870	6.7
101.02470	15.9
111.00971	4.1
113.02474	17.8
121.02996	7.9
122.62211	3.6
125.02431	4.3
135.03014	10.3
145.01483	6.5
161.04541	7.0
191.05714	8.2
248.08759	4.1
284.03308	5.5
285.04114	20.2
287.14896	4.5
345.29941	6.1
489.34155	29.5
490.24643	4.6
507.35495	9.4
571.59918	5.0
592.41034	6.3
593.14795	10.2
593.25665	4.3
593.35138	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	593.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91443	0.2
53.65120	0.2
59.01381	0.6
60.99305	0.2
61.98840	0.3
62.32759	0.2
69.37600	0.2
70.52733	0.2
70.53060	0.3
77.03944	0.4
78.19358	0.2
79.95753	0.3
80.96516	1.5
91.01906	0.3
93.03461	0.3
94.98116	0.4
98.22572	0.2
120.02202	0.6
121.02970	100.0
122.03314	3.0
135.78140	0.2
136.01637	0.5
148.99106	0.2
161.28654	0.2
165.01949	4.1
180.05792	0.6
181.05067	0.4
181.06607	2.2
183.63374	0.2
197.06094	1.9
207.04477	0.6
207.08171	0.4
209.04567	55.0
210.04910	2.4
223.03909	0.3
225.00751	0.3
225.05557	1.8
251.07173	0.3
257.09714	0.5
284.03314	0.3
285.04111	0.4
288.66147	0.2
295.06375	0.2
301.08746	0.4
313.07199	1.9
314.07162	0.3
357.06131	1.0
373.10760	0.3
383.07748	1.1
401.08514	0.3
417.09912	1.0
505.11499	2.6
506.11661	0.5
549.10449	6.2
550.10632	0.7
593.12946	8.0
593.26257	2.1
594.13446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40244	0.6
58.01346	0.6
59.01389	0.7
63.02417	1.0
65.00340	1.1
65.82643	0.6
69.02089	5.3
69.02501	1.1
79.99071	0.7
83.01422	1.2
92.31160	0.6
99.42357	0.6
107.01415	2.5
109.02982	0.7
133.02989	3.9
138.95929	0.7
149.02518	1.7
151.00392	4.0
156.70323	0.6
171.04575	0.6
175.04027	1.4
188.31577	0.7
199.04002	2.3
202.45970	0.7
213.05579	0.7
217.05127	1.5
227.03569	0.8
243.02946	1.0
247.09380	1.0
255.03065	0.9
256.03802	2.6
284.03302	56.4
285.04077	81.7
286.04480	4.8
327.05231	1.2
447.09335	2.2
593.15204	100.0
594.15582	13.1
595.27856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
59.01095	0.4
59.01383	6.6
63.02399	0.8
65.00333	0.7
70.79713	0.6
71.01395	1.7
73.02942	0.4
75.00858	1.0
76.82752	0.2
79.06555	0.2
83.01407	1.4
85.02992	0.4
87.00879	0.9
89.02448	1.3
89.45242	0.2
99.00897	0.3
101.02453	0.6
105.03475	0.4
107.01389	1.3
107.51933	0.3
109.02951	0.6
111.00890	0.3
112.98828	0.3
113.02457	0.5
117.01898	0.3
119.03462	0.4
121.02966	0.6
127.00357	0.4
129.01999	0.3
131.95227	0.2
133.02966	4.3
135.03032	2.9
145.01404	0.6
149.02490	1.3
150.99324	0.4
151.00397	3.5
154.99876	2.4
161.04597	0.3
169.01506	0.3
171.04520	0.5
175.04002	1.8
177.01854	0.3
179.05629	0.4
185.06152	0.4
199.04030	2.0
200.04628	0.3
201.01912	0.6
207.13892	0.4
209.11806	0.4
211.04015	0.6
212.04874	0.4
213.05635	0.3
215.03555	0.4
217.04982	1.0
225.14966	0.6
227.03575	0.7
227.12885	3.0
229.05026	0.4
239.03442	0.4
240.04277	0.3
241.05109	0.7
243.02968	0.7
255.03098	0.3
256.03851	1.5
257.04550	0.7
267.03091	0.6
269.04459	0.5
269.13904	0.9
284.03320	14.4
285.04077	100.0
286.04413	6.2
287.15036	8.1
288.15378	0.7
327.05170	0.5
329.16028	0.5
341.15881	0.2
346.99896	0.2
405.17740	3.9
406.17905	0.7
447.18478	0.3
467.53329	0.3
481.39542	0.3
593.15198	49.2
594.15601	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	593.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.5
69.68888	3.8
71.01371	2.8
75.14439	0.9
76.76396	1.1
88.30379	0.9
89.02468	1.1
93.03448	2.1
101.02470	0.9
115.52145	0.9
117.03463	5.9
119.03518	0.9
119.05013	1.5
125.99276	0.9
135.04512	2.3
143.55476	0.9
159.04640	1.3
161.02426	2.9
161.04581	0.9
163.04025	2.0
170.08910	1.0
173.06070	0.9
174.52269	0.9
175.04013	1.8
177.05568	1.6
186.08246	0.8
191.03479	1.8
203.03497	1.8
205.05028	1.5
253.08606	1.3
268.07404	1.5
281.04611	1.6
282.05359	2.5
283.06137	3.9
284.79337	1.0
295.06213	4.6
296.06979	3.3
297.07709	22.3
298.08270	1.7
307.06232	3.0
309.07721	1.7
311.05646	3.0
314.04141	0.8
323.05627	3.7
325.07184	11.4
328.05939	2.0
335.05777	1.3
337.07144	3.9
351.04480	0.9
353.06699	51.8
354.06900	5.3
355.08334	1.9
365.06705	7.0
383.02850	1.5
383.07782	29.1
384.08270	2.9
395.07889	3.3
413.08655	2.2
425.08936	1.4
473.10983	16.4
474.11273	2.2
503.11957	3.3
519.89471	1.1
539.87213	1.1
575.13971	1.3
593.15167	100.0
594.15472	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	593.1518
Annotation	Pelargonin
Peak:m/z	Relative Intensity
55.01870	0.9
59.01103	0.6
59.01387	10.9
63.02403	1.1
65.00352	0.8
66.92391	0.2
68.99820	0.3
69.01771	2.6
71.01389	1.5
72.62180	0.3
72.99313	0.3
73.02944	0.6
75.00877	0.7
79.94386	0.3
83.01373	1.3
85.02970	0.4
87.00888	1.3
89.02441	0.7
93.03487	0.4
98.21770	0.4
98.95581	0.3
99.00887	0.5
99.92615	0.4
101.02460	1.0
103.00443	0.3
107.00738	0.3
107.01360	1.2
111.00900	0.4
112.98828	0.5
113.02482	0.3
115.92109	0.5
116.92883	3.5
117.03490	2.5
121.02959	0.7
129.01904	0.3
135.03015	1.3
145.01479	0.6
149.02463	0.8
151.00377	1.2
154.99886	4.4
159.04530	1.2
161.02431	0.9
161.04550	0.3
171.04704	0.3
171.73845	0.3
183.04521	0.6
196.05283	0.3
197.06102	0.3
199.04166	0.4
201.05545	0.5
207.13931	0.9
209.11838	1.2
224.04727	0.3
225.05554	0.9
225.14954	0.8
227.03555	0.5
227.12914	5.5
233.84793	0.3
241.05077	0.3
251.12880	0.4
267.02820	0.3
268.03784	3.9
269.04575	100.0
269.13986	1.7
270.04929	7.6
284.03427	0.7
285.04181	1.6
287.15048	15.3
288.15311	0.9
293.14340	0.3
329.16080	0.5
405.17697	11.5
406.17972	0.6
413.08771	1.1
447.18787	0.8
549.29303	0.4
559.56036	0.3
593.15265	2.0
593.24609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.3
57.03461	0.9
59.01384	79.7
65.30695	0.8
69.19229	5.9
71.01383	6.0
72.99312	1.2
73.02941	3.1
75.00877	4.5
83.01392	7.4
87.00871	5.9
89.02473	1.5
97.02959	0.8
99.00903	2.3
99.04545	2.3
101.02454	2.6
103.00373	1.1
111.00909	2.1
111.22563	0.8
112.98839	3.3
117.01989	1.7
127.00385	2.4
129.01967	1.7
132.22249	0.7
135.03017	10.8
145.01480	5.4
147.03055	1.0
148.42667	0.8
154.99881	34.7
165.12837	1.5
177.04012	0.7
177.78845	0.8
187.02464	1.4
189.12823	0.8
207.13948	7.1
209.11836	8.4
214.33545	0.9
225.15015	8.8
227.12915	45.9
228.13228	2.6
251.12912	2.4
269.13983	11.8
285.04074	1.7
287.15039	100.0
288.15320	6.3
293.13940	0.8
294.17953	0.8
311.14871	1.7
329.16016	2.6
387.16708	1.7
405.17691	70.9
406.17938	7.6
447.19009	5.3
448.19247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75906	3.2
53.18846	3.1
58.00589	3.7
59.01387	100.0
61.49828	3.5
64.96666	3.9
69.36054	21.9
71.01391	67.3
72.99313	4.9
73.02936	4.2
85.02985	16.0
87.00903	7.9
89.02456	79.8
89.02969	5.7
95.01472	4.4
97.02969	4.3
98.22551	3.4
101.02454	39.3
107.05032	4.4
113.02460	36.0
115.66090	3.4
119.03513	38.1
125.02475	6.3
131.03505	9.2
143.03584	7.2
148.09026	3.5
148.37018	3.5
149.04582	5.4
151.04042	5.1
161.02478	13.5
161.04546	17.9
174.31708	4.2
176.04874	7.7
176.11485	3.3
179.03664	22.8
179.05620	63.8
191.07217	5.5
193.05016	3.6
194.05849	24.8
209.08241	32.2
221.06772	8.1
222.05261	4.4
296.06354	3.5
323.09900	10.3
430.31464	4.6
431.15555	6.9
564.05389	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.3
59.01385	100.0
59.32844	1.1
60.99287	1.2
69.13081	5.5
69.13508	5.0
71.01384	8.8
72.99313	3.2
73.02953	4.4
75.00880	8.8
83.01384	5.2
85.02940	5.7
87.00877	2.8
89.02456	2.9
96.73512	1.4
98.21786	1.9
99.00895	8.9
99.04521	3.8
101.02440	6.3
103.00401	2.6
105.01950	4.4
111.00903	7.8
113.02450	1.5
115.00397	1.8
117.01950	2.2
129.01967	15.8
133.02960	1.6
135.03003	10.8
141.01923	2.4
142.99828	1.5
145.01454	1.9
147.03017	20.4
148.15926	1.2
154.99870	5.5
159.02948	1.4
164.26010	1.4
165.12820	2.0
167.10782	1.4
185.94968	1.2
189.04037	3.4
189.12903	1.4
205.03447	1.4
207.13876	6.6
209.11845	7.9
220.23535	1.3
225.14977	12.0
227.12901	44.8
228.13275	1.6
251.12830	3.9
269.04611	1.8
269.13959	16.4
283.15610	2.1
284.03281	4.9
285.03964	10.4
287.15015	58.6
288.15280	4.8
291.63123	1.3
301.16595	7.3
359.17197	2.2
387.16687	3.3
399.16418	1.4
405.17557	13.5
406.17987	1.8
413.18509	1.5
417.17700	3.5
419.19180	5.3
475.18347	12.1
475.24619	2.1
489.10544	4.8
531.20715	2.3
593.20886	10.0
593.30017	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.0
60.09695	1.3
60.99316	14.8
61.98832	1.5
62.04459	1.5
71.01392	8.0
73.02960	2.7
74.39861	1.5
75.00871	2.9
81.05980	1.3
83.01442	1.3
85.02957	3.0
87.00872	2.6
88.98814	100.0
89.02451	2.0
98.22547	3.2
101.02467	5.7
111.00925	2.0
113.02450	4.2
133.02982	2.9
135.03000	5.8
146.55389	1.4
151.00418	2.4
211.07346	1.4
220.48074	1.6
227.13101	1.6
234.27621	1.4
268.52402	1.5
269.04391	2.2
284.03354	4.0
285.04095	21.4
286.04626	1.8
287.15079	2.1
332.96918	1.4
399.23618	2.7
417.24738	2.1
507.14557	1.7
533.29724	1.5
593.14258	6.8
593.28436	2.0
594.13824	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	593.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58582	2.2
53.54892	2.1
58.19624	1.8
59.01123	2.6
59.01388	23.0
60.27932	1.8
60.99314	21.8
71.01383	7.2
73.02946	3.6
74.27949	1.9
75.00860	2.6
78.59904	2.0
85.02948	4.0
86.95387	2.2
87.00905	3.6
88.98818	100.0
89.02468	2.6
101.02483	3.7
113.02467	2.7
117.00999	1.9
148.76254	2.1
184.84128	1.9
227.80132	2.2
269.14090	2.3
283.79242	2.0
284.03281	2.9
285.03940	3.6
287.15164	3.1
372.08527	2.4
399.23764	5.9
405.17896	2.7
593.15399	4.7
593.25391	2.1
594.14807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.1
56.88267	2.0
57.03432	2.8
58.00605	3.0
59.01384	100.0
61.98830	9.1
65.02821	2.0
66.12070	2.0
69.35929	15.4
71.01390	69.7
72.01736	2.3
72.99302	6.0
73.02952	8.9
74.03291	2.3
75.00883	5.9
83.01411	7.4
85.02964	22.7
87.00880	10.1
88.98788	2.6
89.01899	4.5
89.02451	61.8
95.01398	6.0
96.68801	2.0
96.96030	3.4
98.22501	4.1
99.00915	4.8
101.02453	41.5
105.77088	2.1
113.02460	35.0
119.03524	32.0
119.30282	1.8
122.47277	2.1
125.02500	2.8
131.03511	4.7
135.03036	7.1
137.02481	2.2
143.03546	6.4
149.04572	3.1
161.04552	17.4
162.04886	2.5
163.11308	5.9
179.05620	26.2
205.81665	2.0
221.06699	8.0
227.12904	3.3
263.07593	2.1
269.04636	2.3
280.51706	2.1
285.04092	4.4
287.15106	6.4
348.19308	2.1
357.09833	5.6
431.22958	11.1
533.25745	15.2
534.26001	4.1
551.26495	5.0
593.15094	5.1
593.28241	34.8
594.28687	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	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.4
57.03457	2.2
58.00595	2.0
59.01387	99.5
60.01720	2.5
61.11316	1.1
61.98819	4.1
69.26855	2.3
69.27251	7.4
71.01391	32.3
72.99309	2.0
73.02961	9.6
75.00887	6.7
83.01403	9.4
85.02964	10.6
87.00888	8.4
89.02464	14.8
93.03465	1.4
93.27218	1.1
95.01390	2.4
97.03003	1.1
98.21814	2.2
99.00905	5.8
99.04539	2.6
101.02454	21.8
107.01417	1.3
107.74214	1.2
111.00890	2.1
111.96825	1.1
112.98827	3.2
113.02457	11.9
117.01968	1.6
119.03531	6.2
125.02477	1.6
127.00408	3.2
129.01996	1.9
133.02985	3.3
135.03018	14.0
143.03503	2.8
145.01430	4.7
147.03038	2.1
151.00421	2.2
154.99886	25.5
161.04573	8.0
162.63335	1.1
165.03952	1.0
165.12837	3.6
175.04042	1.5
179.05621	2.6
182.98746	0.9
187.02571	2.0
191.05679	3.5
199.03957	1.8
207.13896	4.2
209.11877	9.4
221.06688	1.6
225.15002	7.0
227.12917	41.9
228.13197	4.0
251.12900	3.8
255.03178	2.3
256.03906	1.7
269.04535	6.8
269.13971	11.7
271.55396	1.4
284.03308	32.3
285.04074	48.8
286.04446	4.7
287.15045	100.0
288.15424	11.6
289.15457	2.2
311.15033	1.7
329.16010	3.5
371.20807	11.9
377.49457	1.1
387.16656	1.5
405.17703	70.2
406.18167	6.4
407.18329	3.8
447.09464	2.1
447.18613	3.5
533.26044	34.0
534.26654	3.6
593.15167	47.3
593.27832	3.6
594.14984	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	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06814	4.2
59.01389	100.0
60.83064	3.6
71.01395	25.9
71.13477	7.4
85.02966	11.8
86.34398	4.3
87.45079	3.7
89.02445	4.0
101.02457	13.0
107.08804	4.2
111.10619	3.6
113.02462	13.0
130.17021	3.8
130.93875	3.8
143.03471	4.9
161.04602	4.7
254.67247	4.7
489.34134	24.0
490.34985	7.2
507.35498	13.0
533.29901	12.3
551.30719	12.3
593.14838	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	593.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36504	3.1
59.01380	100.0
61.98829	11.5
65.13699	3.6
66.85750	3.4
69.20618	26.8
71.01386	27.1
75.00888	20.4
83.01391	5.6
85.02955	9.5
87.00904	3.7
89.02439	10.9
91.58453	3.8
101.02419	10.4
102.18666	3.8
113.02464	13.4
135.03006	69.2
161.04599	7.8
179.05659	5.9
221.06654	6.7
284.03320	37.6
285.04047	59.1
345.30331	6.9
372.21994	3.7
489.34427	28.9
490.35547	4.2
507.35593	8.4
531.15045	58.0
593.15137	12.7
594.15131	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	594.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
60.20031	0.5
61.15269	0.5
61.98838	100.0
71.01384	2.2
71.26569	0.7
75.56155	0.6
83.01416	1.0
85.02946	0.8
87.00901	0.9
89.02474	1.7
96.96061	0.8
101.02465	0.7
109.02975	0.7
111.00924	1.3
113.02473	0.9
115.00405	1.7
137.02402	0.7
139.00439	1.1
150.05487	0.5
151.00529	0.6
156.00662	1.3
157.01421	3.0
161.06163	0.6
174.01743	1.1
175.02597	2.7
175.03972	0.6
191.03583	0.7
191.05746	1.0
193.05156	2.0
207.06616	1.3
234.05383	0.9
289.07361	0.7
307.08249	9.8
308.08881	0.8
469.13544	4.9
471.11795	2.0
513.12323	2.9
594.13013	0.6
595.17542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46865	5.0
59.01394	47.2
61.98835	36.0
64.82888	5.2
70.39230	15.0
71.01392	24.3
75.00875	15.9
75.10410	4.9
76.01224	4.0
84.49792	4.1
87.00848	6.9
89.02456	6.6
97.93724	4.7
101.02513	7.5
113.02502	6.9
133.02980	6.4
135.03021	44.5
151.00359	6.8
162.20181	4.9
283.02661	6.5
284.03275	73.4
285.04053	100.0
286.04520	10.9
492.79852	5.4
531.15118	87.8
531.29095	4.7
532.15430	9.6
594.15088	6.9
595.31366	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	594.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.7
57.03456	1.2
57.33541	1.4
59.01385	40.4
61.08630	1.3
61.98836	5.4
62.74973	1.2
69.03453	2.5
69.36958	3.7
69.37386	5.1
71.01391	36.1
71.32338	1.4
72.99314	3.0
73.02960	5.3
75.00883	17.7
81.03473	1.7
83.01400	3.9
85.02955	8.7
85.29076	1.3
87.00893	3.6
89.02457	32.3
93.03473	29.9
93.24213	1.5
95.01402	2.6
97.02955	3.9
98.21824	2.9
99.00919	2.2
101.02461	18.9
107.01406	2.0
107.03498	1.6
107.04995	1.9
112.98720	1.5
113.02460	14.1
117.01905	1.4
119.03515	18.1
121.02970	33.2
122.03310	1.3
125.02466	14.3
131.03508	3.2
134.16286	1.2
135.03017	34.9
137.02470	32.9
138.02803	1.7
143.03519	5.3
151.00389	4.2
151.04066	2.1
156.26524	1.2
161.04555	8.1
163.04126	1.4
164.07239	3.6
175.44031	1.4
177.05574	2.0
179.03526	2.0
179.05626	10.8
191.05632	3.5
197.06149	4.3
199.07677	2.4
206.08119	1.5
221.06696	8.1
227.07138	21.9
228.07518	2.3
263.07730	3.7
269.04578	2.2
281.06802	2.0
284.03253	2.5
285.04047	4.4
286.04410	2.7
323.09866	20.6
343.06015	2.0
359.05576	3.1
370.20496	1.5
372.06580	2.0
376.15192	1.4
387.05209	3.8
388.05893	3.6
400.05966	1.6
414.19516	2.4
416.05457	10.1
418.07205	3.7
427.04535	1.5
433.09003	6.6
443.11951	11.7
444.04965	20.3
459.07266	100.0
491.32358	1.5
594.15662	2.3
594.26416	4.3
595.14429	1.9
595.33624	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	594.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26878	0.8
60.77860	0.7
61.98836	100.0
63.19412	0.7
71.28201	1.2
71.28555	1.0
72.80682	0.8
103.46178	0.8
108.63281	0.7
172.74677	0.8
348.33380	1.0
434.74939	0.9
505.08475	0.9
548.80084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06042	0.7
58.38656	0.9
59.01387	8.8
61.98831	2.0
64.17994	0.8
64.77808	0.8
71.01398	4.1
72.99323	4.5
75.00878	39.9
76.01193	0.8
77.13518	0.8
85.02961	1.4
89.02457	2.6
101.02462	1.4
107.01414	1.0
113.02432	1.1
117.01947	4.2
133.02957	2.6
135.03011	100.0
136.03362	1.2
137.02394	0.8
151.00378	3.0
160.01686	1.5
175.00354	0.8
175.03993	2.5
194.99814	0.7
197.06053	0.8
197.77486	0.7
199.03938	1.0
217.04782	0.7
229.39925	0.9
241.72183	0.8
255.02968	5.5
256.03775	6.6
269.04691	0.9
283.02509	5.5
284.03284	18.7
285.04053	34.0
286.04446	2.3
410.67050	0.7
433.09290	40.6
434.09445	4.7
454.19934	0.8
459.07285	9.8
460.07568	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	595.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
58.00603	0.3
59.01382	7.0
61.98846	0.3
69.19492	0.3
69.19797	2.2
71.01390	2.8
72.99317	5.0
73.02975	0.6
75.00880	40.5
76.01212	0.4
85.02962	0.9
87.00900	0.6
89.02460	4.5
101.02462	0.9
107.01426	0.6
111.00924	0.3
113.02480	0.6
117.01964	3.4
119.03481	0.4
121.02902	0.3
132.02205	0.5
133.02980	1.0
135.03014	100.0
136.03342	1.7
147.00926	0.4
149.02435	0.4
151.00432	1.3
160.01700	2.1
161.02477	0.4
175.00418	0.6
175.04022	1.1
199.04025	0.4
200.85190	0.3
255.03006	3.0
256.03790	3.1
261.30075	0.3
283.02545	2.1
284.03290	6.5
285.04077	13.1
286.04337	0.7
295.02380	0.3
360.06238	0.5
387.04959	0.4
400.05869	0.7
403.08246	0.4
431.07797	0.4
433.09308	10.3
434.09595	1.0
444.05054	0.7
459.07254	11.2
460.07608	1.2
535.30847	0.8
553.31299	0.7
595.34302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	6.7
68.95561	2.1
68.95983	1.8
71.01396	2.7
72.99322	3.5
73.02947	0.4
74.46866	0.3
75.00880	37.6
83.01413	0.4
85.02926	0.5
87.00906	0.6
89.02461	3.6
99.00913	0.5
101.02434	1.1
110.71301	0.4
113.02467	1.0
117.01947	3.8
132.02115	0.5
133.02953	0.6
135.03012	100.0
136.03345	1.3
149.02461	0.4
151.00386	1.1
160.01678	1.3
175.00667	0.5
175.04039	0.9
186.97615	0.4
231.17877	0.4
255.02962	2.4
256.03833	2.5
269.04642	0.4
283.02499	1.9
284.03278	6.6
285.04077	10.9
286.04349	0.6
327.82156	0.4
360.06406	0.4
400.05942	0.6
431.07742	0.5
433.09305	9.8
434.09674	1.1
444.04831	0.9
459.07309	10.2
460.07727	0.8
535.31219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37498	0.6
59.01380	7.4
61.98835	4.9
69.73865	3.2
71.01395	4.2
72.99314	4.7
73.02933	0.7
75.00880	38.8
77.25330	0.6
87.00872	1.5
89.02452	6.8
96.96046	0.8
98.21884	0.9
101.02419	0.7
113.02415	0.8
114.35520	0.6
117.01936	1.6
131.50366	0.7
133.02979	2.3
135.03015	100.0
136.03358	1.4
142.67290	0.6
151.00349	1.6
159.62894	0.6
160.01668	1.7
175.04050	2.0
199.03984	0.8
217.05182	0.7
255.03000	4.9
256.03757	3.8
283.02469	4.5
284.03326	11.7
285.00873	1.0
285.04059	20.6
286.04532	1.5
360.06577	0.8
369.56506	0.6
382.98453	0.7
385.02579	0.9
433.09332	26.4
434.09918	3.0
444.04898	1.3
459.07327	12.8
459.13333	1.3
460.07669	1.5
564.33710	0.7
595.26563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01136	0.7
59.01388	8.9
61.98820	2.4
64.40247	0.5
64.87283	0.5
65.00318	2.2
69.08404	5.0
71.01388	7.0
72.99302	1.8
73.02943	1.2
75.00881	16.1
75.74394	0.5
82.39890	0.6
83.01395	2.7
85.02960	2.4
87.00909	0.7
89.02454	4.9
93.03461	1.6
93.11225	0.6
93.65045	0.5
95.01389	0.6
98.21812	1.4
99.00898	1.1
101.02455	3.6
107.01434	3.0
108.02209	0.9
109.02964	1.0
113.02456	2.2
117.01945	2.1
119.03532	1.9
119.04968	1.0
121.02965	2.1
122.03353	0.8
124.01704	1.3
125.02451	1.7
135.03027	42.1
137.02460	2.3
145.02966	1.0
151.00385	8.8
152.01126	0.6
161.02502	1.3
161.04578	1.5
165.01927	0.9
170.35002	0.6
174.01678	0.6
178.65564	0.6
179.05594	0.8
188.95886	0.6
221.06522	0.9
227.07115	0.9
227.12938	1.1
228.07458	0.9
235.03990	1.1
249.05595	1.6
253.05022	0.8
263.03519	1.2
264.04260	4.4
265.04987	2.0
266.05884	4.0
267.06583	1.0
279.03082	1.6
281.08298	0.9
283.02658	1.0
284.03305	1.2
285.04025	1.7
287.15030	1.2
291.03085	4.2
292.03705	1.8
293.04651	1.5
295.02490	2.1
296.03363	1.2
297.03949	1.0
300.02774	0.7
306.05423	0.9
307.02670	1.0
307.06155	0.7
308.03354	5.0
309.04095	2.4
310.04556	0.8
319.02698	0.8
323.05634	3.9
323.09390	1.2
335.01871	3.3
343.06113	1.0
357.03897	0.7
359.05670	1.5
371.05597	1.3
372.06363	1.9
373.07034	1.1
387.05176	1.5
388.05844	2.0
399.05002	1.7
400.05872	1.3
401.06360	1.7
404.44431	0.6
416.05475	5.6
417.05692	0.9
418.06970	2.6
427.04626	1.1
431.07578	1.7
433.09323	25.5
434.09689	2.7
444.04898	10.8
445.05460	1.1
459.07266	100.0
460.07645	11.4
477.08417	6.5
477.27890	0.8
478.08521	1.0
595.11548	0.7
595.33954	3.0
596.26135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1674
Annotation	Naringenin 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
58.00603	2.5
59.01384	57.8
68.99820	2.2
69.10015	17.6
71.01395	41.3
72.99305	2.5
73.02964	3.1
79.01912	3.2
81.03454	3.5
83.01406	5.0
85.02515	2.1
85.02940	12.0
87.00874	4.8
89.02455	40.7
93.03467	7.9
95.01412	4.5
97.02978	4.2
99.00921	3.0
101.02463	23.7
107.01391	6.4
107.05151	2.2
110.86420	2.4
113.02483	16.6
119.03546	18.5
119.05027	43.2
121.02985	7.1
122.98976	2.2
123.00883	3.7
123.04520	3.9
125.02440	7.0
135.02986	2.8
135.04593	4.1
137.02467	7.0
139.04050	6.5
143.03545	3.9
143.05051	3.6
145.02937	4.5
149.02394	4.8
151.00356	4.5
151.04083	2.2
154.39084	2.4
161.04561	9.9
161.05972	3.1
163.00351	3.5
163.04013	4.2
165.01857	6.3
167.03493	9.4
177.01958	6.2
179.05641	11.2
187.04030	7.4
191.03561	4.7
193.01492	11.9
197.04588	3.2
199.07587	3.6
205.01463	8.5
207.02985	6.2
209.04605	4.9
219.03009	5.3
223.02635	2.6
235.02534	14.7
265.03397	5.1
270.59714	2.4
271.06107	7.0
291.19904	3.0
313.07245	20.4
325.07251	8.2
343.08240	4.5
355.08231	92.9
356.08633	5.5
367.08331	5.8
385.09290	70.9
386.09756	5.2
387.20123	6.0
397.09341	4.2
415.10281	16.3
433.11139	3.1
457.11365	10.3
475.12469	43.7
476.12756	3.4
487.12619	7.6
505.13763	10.2
549.25537	100.0
550.25781	7.6
577.15784	6.7
595.16736	96.6
596.16577	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.205
Annotation	Staunoside C
Peak:m/z	Relative Intensity
59.01382	17.6
62.06923	0.7
71.01031	1.2
71.01393	13.8
72.99311	0.8
82.19556	0.7
83.01411	1.2
85.02960	2.3
87.00874	1.0
89.02452	14.5
93.31608	0.7
95.01379	1.8
95.21424	0.7
99.00876	0.9
101.02464	8.3
107.01344	0.7
107.05045	2.0
109.02963	0.9
111.00876	1.8
113.02452	7.0
119.03510	7.0
121.02951	0.9
123.00895	4.0
124.01686	1.7
125.02473	1.7
127.00406	0.8
131.03503	0.9
135.04530	2.1
136.98904	0.9
137.02480	1.2
137.06119	0.8
138.03214	2.1
139.00388	6.6
139.04019	2.3
143.03519	3.0
145.02988	1.7
147.04501	3.2
151.00351	2.7
153.01973	2.3
153.05565	1.5
154.02757	0.9
159.04463	0.7
161.02504	0.9
161.04555	3.1
162.03227	1.8
163.04013	2.8
165.05632	1.5
166.02713	5.2
167.03571	1.5
167.44325	0.7
173.02458	1.4
174.03323	1.3
175.04015	2.9
176.01135	1.2
177.01935	1.4
177.05605	4.2
179.03554	0.8
179.05614	5.0
181.05101	6.5
189.01889	0.8
190.02707	0.8
191.03584	5.1
191.05067	0.9
192.04248	1.1
193.05089	2.3
203.03546	3.9
204.04247	1.5
207.06610	1.0
218.05933	4.3
219.06525	1.5
229.12914	0.8
233.08327	1.2
235.06160	0.9
236.06876	1.4
251.09306	3.7
284.03287	1.4
285.04065	12.8
286.04373	9.8
287.04578	9.1
307.06274	0.8
339.08978	1.4
343.08151	2.9
354.11172	0.9
355.08313	2.6
357.09854	1.7
358.10587	13.5
359.10910	1.6
370.10715	2.3
373.12976	25.9
374.13330	1.7
385.13083	1.1
391.17715	1.8
402.09543	0.9
403.09647	5.5
403.14212	2.5
417.11966	2.4
418.12576	5.1
419.13422	1.6
433.15060	100.0
433.24631	2.7
434.15372	11.2
565.15448	2.2
595.20020	31.6
595.29773	7.0
596.20508	4.1
596.29443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.6
62.06923	0.7
71.01031	1.2
71.01393	13.8
72.99311	0.8
82.19556	0.7
83.01411	1.2
85.02960	2.3
87.00874	1.0
89.02452	14.5
93.31608	0.7
95.01379	1.8
95.21424	0.7
99.00876	0.9
101.02464	8.3
107.01344	0.7
107.05045	2.0
109.02963	0.9
111.00876	1.8
113.02452	7.0
119.03510	7.0
121.02951	0.9
123.00895	4.0
124.01686	1.7
125.02473	1.7
127.00406	0.8
131.03503	0.9
135.04530	2.1
136.98904	0.9
137.02480	1.2
137.06119	0.8
138.03214	2.1
139.00388	6.6
139.04019	2.3
143.03519	3.0
145.02988	1.7
147.04501	3.2
151.00351	2.7
153.01973	2.3
153.05565	1.5
154.02757	0.9
159.04463	0.7
161.02504	0.9
161.04555	3.1
162.03227	1.8
163.04013	2.8
165.05632	1.5
166.02713	5.2
167.03571	1.5
167.44325	0.7
173.02458	1.4
174.03323	1.3
175.04015	2.9
176.01135	1.2
177.01935	1.4
177.05605	4.2
179.03554	0.8
179.05614	5.0
181.05101	6.5
189.01889	0.8
190.02707	0.8
191.03584	5.1
191.05067	0.9
192.04248	1.1
193.05089	2.3
203.03546	3.9
204.04247	1.5
207.06610	1.0
218.05933	4.3
219.06525	1.5
229.12914	0.8
233.08327	1.2
235.06160	0.9
236.06876	1.4
251.09306	3.7
284.03287	1.4
285.04065	12.8
286.04373	9.8
287.04578	9.1
307.06274	0.8
339.08978	1.4
343.08151	2.9
354.11172	0.9
355.08313	2.6
357.09854	1.7
358.10587	13.5
359.10910	1.6
370.10715	2.3
373.12976	25.9
374.13330	1.7
385.13083	1.1
391.17715	1.8
402.09543	0.9
403.09647	5.5
403.14212	2.5
417.11966	2.4
418.12576	5.1
419.13422	1.6
433.15060	100.0
433.24631	2.7
434.15372	11.2
565.15448	2.2
595.20020	31.6
595.29773	7.0
596.20508	4.1
596.29443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
59.01383	19.1
61.98823	2.5
67.83633	0.7
69.03480	1.0
69.16991	5.9
71.01392	6.2
72.99314	0.9
73.02950	3.9
83.01414	4.5
83.05017	0.9
85.02962	3.3
85.27151	0.7
87.00910	1.0
88.98814	0.8
89.02452	1.4
95.01398	0.8
97.02964	1.1
101.02459	6.1
105.03453	1.2
109.06564	1.0
113.02458	4.6
119.08655	1.1
121.06648	1.2
125.02459	1.1
125.06095	1.2
133.02975	1.1
135.08188	1.5
137.09747	2.8
143.03557	1.6
149.06062	1.1
150.03313	0.9
151.04042	5.7
161.02469	25.5
161.04559	1.6
161.09721	3.6
162.03023	1.6
163.07674	5.0
165.05618	1.7
165.09216	0.8
176.04805	14.7
177.05321	0.9
177.09262	1.5
179.03529	44.5
179.10783	3.1
180.04126	3.1
181.08751	8.1
191.05661	0.9
191.07190	7.0
194.05867	45.1
195.06622	7.7
195.10301	1.2
197.11848	6.0
203.10773	2.0
205.08621	1.2
209.08218	100.0
210.08640	4.1
221.11861	1.3
223.09766	9.3
229.08730	0.8
241.10820	8.4
247.09769	3.2
255.12938	0.8
262.98199	0.8
265.10770	4.6
266.64993	0.8
283.11990	1.9
285.04004	1.9
289.10706	1.1
290.92642	0.9
307.11856	2.9
310.02277	0.7
325.12930	3.3
361.16382	0.9
385.15112	10.3
386.15344	0.9
433.14880	0.9
466.68192	0.7
509.21548	1.1
533.13092	1.4
539.22614	0.9
595.23578	13.2
596.24249	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	595.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03444	2.8
59.01385	37.4
64.37564	0.8
71.01389	4.9
73.02946	5.9
83.01398	7.1
83.05020	2.4
85.02952	2.6
87.00880	1.6
89.02431	1.1
95.05056	2.0
97.02944	1.5
97.06596	1.0
98.22589	1.2
99.04532	1.7
101.02456	6.3
105.03470	1.8
109.06572	1.1
113.02437	2.7
119.08672	1.5
121.06615	1.9
123.04530	1.6
125.02455	1.5
125.06105	2.4
133.02998	4.8
133.10287	1.2
134.25121	0.8
135.08195	3.6
135.11771	0.9
137.06044	0.8
137.09735	6.1
141.05630	1.3
143.03513	1.0
148.05304	0.9
149.09703	1.2
151.04022	1.9
161.02467	69.2
161.09755	6.7
162.03220	6.8
163.07674	9.7
164.07970	1.4
176.04808	70.0
177.05336	3.5
177.09293	1.4
179.03519	15.6
179.10757	6.2
180.04108	1.7
181.08728	14.3
191.07169	49.5
192.07492	2.9
193.08795	1.0
194.05853	17.2
195.06654	12.6
195.10254	2.3
197.11816	8.5
203.10806	2.2
205.08696	1.7
209.08212	100.0
210.08521	3.8
219.10423	1.0
221.11821	1.9
223.09787	15.9
229.33350	1.1
237.11356	1.2
241.10840	10.6
247.09724	3.0
265.10764	6.2
283.11923	3.6
289.10867	2.2
307.11877	3.2
325.12952	3.9
326.13162	1.0
360.53088	0.9
385.15128	16.4
415.23230	1.4
432.92157	0.8
498.31772	0.8
595.23932	27.5
596.24170	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	595.2897
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01360	1.3
61.98825	3.4
62.96389	1.0
68.53961	0.7
69.79872	1.6
69.80279	2.3
78.95914	71.3
88.09425	0.7
96.96017	2.4
96.96983	13.5
113.83723	0.7
113.85040	0.8
114.01687	0.8
150.98006	1.7
152.99608	100.0
161.80681	0.8
170.31166	0.9
171.00639	3.2
223.00133	10.7
241.01207	24.3
259.02197	1.5
279.23340	62.0
280.23630	4.4
299.92316	0.8
315.04919	13.7
316.05673	0.9
333.05847	1.4
499.96616	0.9
595.28839	92.3
596.29333	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	595.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92248	0.9
50.97292	0.9
55.01883	2.4
57.03456	2.5
58.00591	5.3
59.01386	100.0
60.28287	1.0
61.98839	38.2
68.99812	1.2
71.01389	84.4
72.69830	1.0
72.99308	6.4
73.02956	8.3
75.00861	2.4
77.16072	0.9
81.03448	1.8
83.01387	5.7
83.05043	5.7
84.02151	1.1
85.02961	22.1
87.00885	7.2
89.02456	82.8
95.01410	5.2
97.02966	2.1
99.00880	3.1
101.02457	55.1
102.02795	2.0
111.00872	1.7
113.02464	32.7
119.03517	36.3
125.02428	2.9
130.59938	0.9
131.03549	5.6
131.66910	1.0
132.55573	1.2
135.04572	2.3
136.90352	0.9
137.02446	2.4
139.00410	1.3
142.03493	1.1
143.03488	9.3
149.04488	2.9
151.00343	1.4
153.01886	1.4
159.03058	1.9
161.02510	1.4
161.04572	11.9
164.04805	1.7
167.52211	1.0
179.03433	2.6
179.03761	1.8
179.05630	34.0
179.07164	2.9
181.05037	2.9
190.02705	4.8
191.05669	2.6
193.04865	1.1
194.05826	2.3
195.06590	1.2
205.05035	4.0
209.08267	1.3
218.05838	1.8
221.06711	7.2
225.16002	1.6
233.08195	2.5
243.17146	3.1
263.07782	2.9
271.19098	1.3
284.03168	3.4
285.04013	7.9
286.04047	4.7
287.04565	3.7
291.07678	2.4
305.12411	3.5
367.10284	5.7
373.12805	1.1
415.14096	2.1
415.23434	2.7
433.15488	5.0
433.24423	18.7
434.24817	2.5
447.09271	1.4
469.25220	1.2
469.34070	1.6
499.13351	2.3
503.16153	1.6
531.15900	3.3
535.26929	2.5
553.28979	1.2
563.18658	6.4
595.13995	3.0
595.20599	18.6
595.29608	82.4
596.20844	3.7
596.30005	9.4
596.40167	15.1
619.16693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94353	0.9
55.01883	2.8
57.03453	3.4
58.00587	3.2
59.01386	94.7
60.01717	2.0
61.98829	3.4
71.01392	69.1
71.27351	1.7
72.01722	1.4
72.99322	4.4
73.02950	9.2
75.00881	4.3
83.01385	6.2
85.02962	19.1
87.00893	5.7
87.04529	1.4
89.02456	56.6
90.02805	1.6
95.01398	5.5
97.02987	1.6
99.00919	3.8
101.02454	38.6
111.00909	2.7
113.02464	28.8
119.03522	25.8
121.02976	5.9
123.00983	1.0
125.02477	2.7
127.00301	1.0
129.01944	1.5
131.03502	3.5
135.03000	2.9
137.02527	0.9
139.00378	1.9
143.03542	5.6
147.03009	1.4
149.04535	3.0
154.99907	2.7
159.03041	1.8
161.04590	13.3
165.04102	1.2
178.02902	1.3
178.04559	1.0
179.05620	23.4
179.07167	1.5
191.05602	1.3
195.06578	1.0
207.13968	1.1
209.04532	6.3
217.88940	1.0
221.06693	3.4
223.13446	3.2
225.14946	1.3
227.12999	3.8
263.07782	1.3
267.12485	1.5
271.19186	1.8
287.15060	6.3
288.15466	2.0
313.11041	1.5
323.10138	1.5
358.10764	2.0
373.12939	10.4
374.13388	1.7
405.17755	2.7
406.18161	1.4
407.18625	1.1
415.23465	1.9
433.15451	9.4
433.24423	33.4
434.15393	1.2
434.24957	3.7
523.20313	4.9
577.20428	1.1
595.22406	6.5
595.29919	100.0
596.22626	1.4
596.30463	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.4
61.98824	2.2
69.22227	2.8
69.53056	12.6
71.01376	7.9
72.99308	2.8
80.98770	2.3
81.03487	2.1
83.01405	7.0
85.02969	2.4
87.00886	35.7
93.03457	5.4
93.41064	2.7
96.96039	5.0
97.33254	2.3
98.21825	2.7
99.00887	4.0
101.02493	5.8
105.90856	2.3
108.16788	2.4
109.02968	5.0
111.00887	40.0
115.80080	2.6
121.02957	5.1
122.03761	9.4
131.03502	2.7
135.02956	6.2
147.03030	2.5
149.02454	29.7
150.03242	98.3
151.00444	2.7
151.03958	10.9
161.02495	3.3
163.04030	8.2
164.04842	15.0
165.01958	3.6
165.05592	95.5
166.02718	6.9
179.03484	9.3
179.07104	14.7
180.04276	7.7
181.05121	9.5
190.02797	3.3
191.02003	3.0
191.03569	3.5
191.05574	3.7
191.07190	2.4
193.08707	3.6
193.85999	2.3
194.05841	8.3
195.06654	42.5
205.05090	4.8
209.08221	11.1
247.06030	4.4
249.07712	7.2
264.06342	11.3
265.07172	9.0
271.11407	2.4
291.08856	3.6
293.12555	3.1
327.12616	4.3
337.09305	13.0
343.12738	2.5
357.13348	2.5
413.12656	5.8
461.14600	66.8
462.15204	9.1
487.16425	3.1
505.17197	3.9
521.16577	5.5
551.48566	2.8
579.17462	11.2
580.17096	2.9
597.18365	100.0
598.18512	11.3
603.05090	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	597.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12423	2.7
59.01377	7.0
69.51524	11.7
69.51936	4.3
69.57136	2.3
71.01377	9.3
73.02951	6.3
73.45186	2.7
83.01416	3.5
85.02972	5.6
87.00905	32.9
90.64362	2.5
93.03449	5.3
99.00895	3.7
100.01650	2.7
101.02431	4.1
111.00905	18.0
121.02982	5.4
122.03749	12.0
123.00921	8.0
129.02092	2.8
136.01683	3.8
142.99809	2.9
149.02460	25.5
150.03247	94.3
151.00356	2.8
151.03929	6.5
161.02545	3.9
162.03038	2.7
163.04065	3.0
164.04793	12.1
165.05586	100.0
166.02719	4.8
166.05981	4.8
173.00928	8.7
174.01775	4.6
175.03999	3.4
176.04814	8.2
177.05637	2.8
179.03537	6.9
179.07190	9.8
180.04301	9.3
181.05064	10.6
191.03566	6.5
191.07187	3.2
194.05884	11.2
195.06648	49.1
205.05135	6.1
206.05894	4.4
209.08276	9.0
219.06599	2.5
221.08208	10.1
247.02538	4.1
249.04160	3.9
262.04779	7.1
264.06445	4.4
265.07257	6.4
265.14774	2.6
276.06793	3.2
277.07156	13.3
327.12460	4.1
337.09360	39.9
357.14026	2.5
369.13556	10.5
413.12372	4.0
461.14532	36.2
462.14948	4.2
521.16119	3.7
533.16785	9.9
579.17371	24.1
597.18353	90.6
598.19110	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45065	0.7
57.03447	1.9
59.01387	9.4
61.98837	4.7
64.52717	0.8
65.00350	0.8
69.31833	3.5
69.32258	1.9
70.92645	0.7
71.01382	3.7
72.99304	3.0
75.00872	3.0
81.03460	9.4
83.01372	3.7
85.02972	1.5
87.00903	1.3
89.02451	3.2
93.03480	5.7
96.96008	0.8
98.22537	0.7
101.02452	3.3
107.01402	1.1
113.02455	1.6
119.03525	2.2
119.05035	8.5
123.04541	28.6
125.02458	15.4
131.03474	1.0
135.04533	1.2
149.02423	2.1
151.00362	3.0
165.05571	0.8
167.03510	77.6
168.03871	3.0
171.04449	0.9
177.05554	0.8
179.03493	9.3
179.05597	1.6
179.07094	1.0
189.05634	1.1
189.86502	0.7
191.03519	1.1
191.05602	1.3
209.08121	0.8
273.07706	100.0
274.08044	6.3
422.06180	0.9
561.25592	1.9
597.18036	16.0
597.28223	1.1
597.30438	0.8
598.18738	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	597.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.2
59.01387	55.3
61.98827	17.7
64.94766	2.6
69.16840	19.5
69.17250	5.3
71.01392	38.4
72.99323	3.0
73.02954	16.8
81.03465	20.8
83.01405	7.2
85.02972	11.7
89.02449	25.0
95.01390	3.9
95.05029	10.1
96.96046	5.3
97.02946	3.5
98.22540	5.7
99.00945	3.7
99.04541	21.0
101.02443	21.8
109.02979	2.9
113.02464	16.2
113.06096	3.8
113.21009	2.4
117.01981	5.6
119.03544	12.3
121.02998	5.7
121.66148	2.4
124.01691	8.9
125.02458	62.8
135.04506	2.8
137.02480	6.0
137.06120	8.6
138.03278	6.8
139.03944	4.5
143.03491	3.8
147.04530	2.8
149.06201	4.1
150.03297	4.1
151.04007	4.3
153.02092	6.8
153.05608	7.9
157.05081	100.0
158.05441	3.8
161.04593	10.9
162.03217	4.0
163.04062	5.3
164.04834	2.7
165.01941	37.8
165.05606	7.1
177.05621	9.3
179.03572	17.1
179.05640	12.4
179.07106	5.9
179.92375	3.3
180.04359	23.0
182.05879	4.0
186.06873	8.2
187.07588	2.6
191.03641	3.4
191.05618	4.6
192.04330	3.8
192.08046	4.9
194.05838	5.9
195.06644	30.9
197.08179	3.7
200.04837	3.2
201.18333	3.4
202.06026	3.2
203.03528	10.1
207.10201	7.3
209.08179	8.7
210.05266	3.4
215.07124	5.3
218.05875	15.1
219.06578	3.3
225.07683	28.9
227.07184	3.4
227.12910	5.4
231.10223	3.2
233.08252	20.9
234.08658	2.9
242.05896	4.0
243.06636	24.2
258.08963	17.8
273.11343	30.6
287.15091	10.0
301.07190	11.2
303.16385	3.1
314.11545	3.1
316.09482	4.8
317.10114	4.8
329.13959	30.0
347.15057	3.8
357.09973	3.7
373.13019	5.7
387.14746	14.3
389.18329	3.8
391.14307	4.8
434.15607	4.8
435.15762	12.4
435.25269	3.3
478.13657	3.2
479.15726	50.3
480.15576	4.3
535.18628	4.1
553.19543	8.8
597.22034	6.0
597.30322	11.2
611.36462	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	597.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41375	1.3
57.03448	3.9
59.01387	100.0
61.02896	1.6
61.98832	7.6
71.01395	17.9
71.27689	1.4
71.44663	1.5
72.36104	1.2
72.99287	3.6
73.02959	5.5
75.00874	6.1
76.73174	1.3
79.03096	1.2
83.01390	4.3
85.02952	9.2
87.00903	8.9
89.02460	16.7
95.01438	1.9
96.96030	1.7
99.00858	1.7
99.04520	1.9
99.17004	1.5
101.02443	11.4
110.15729	1.8
111.00893	5.8
113.02479	5.8
114.02762	1.3
119.03552	6.4
129.01936	9.7
135.03020	8.3
143.03499	1.9
147.03026	11.0
154.99858	1.9
161.04660	2.6
165.01959	2.1
177.04182	1.7
177.05643	2.2
179.05630	2.7
191.05591	2.6
195.06773	1.4
207.13898	5.0
209.08295	1.8
209.11845	5.3
214.47542	1.2
225.14964	13.1
227.12927	37.2
251.12912	3.3
269.13953	14.3
287.15030	43.0
288.15369	2.7
387.16064	1.8
389.18237	2.2
399.16537	6.3
405.17801	12.0
417.17712	30.6
418.18094	3.2
435.26007	2.0
441.38742	1.6
507.20847	3.5
517.19385	2.1
535.20337	27.5
597.21875	8.2
597.31879	23.6
608.57990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	17.4
57.03441	1.4
59.01387	70.4
61.98824	7.1
68.14149	1.1
71.01392	12.9
71.27254	1.7
73.02951	2.4
75.00880	11.0
79.59733	1.1
83.01394	14.6
84.52874	1.0
85.02963	3.8
87.00883	4.6
88.71497	1.4
89.02444	6.6
99.00873	2.2
99.04505	1.7
101.02460	5.3
111.00865	4.8
113.02454	2.8
115.00394	2.5
117.01932	1.8
119.03539	2.2
121.02972	3.5
127.00396	5.0
129.01987	2.3
131.03654	1.0
135.03012	20.5
145.01457	4.9
147.03041	1.9
154.99887	51.5
157.54166	1.1
165.04152	1.8
165.12845	2.7
173.00851	1.9
179.03569	1.7
179.05421	1.2
180.04338	1.7
191.05614	1.3
195.06728	1.4
207.13974	4.9
209.11804	6.3
225.07668	2.7
225.15002	6.1
227.12932	46.0
228.13280	1.5
251.13022	1.6
260.45291	1.1
269.13965	13.1
287.15048	80.0
288.15475	3.8
304.40439	1.2
368.21344	1.3
373.44934	1.1
389.17905	1.6
405.17709	100.0
406.18103	8.9
409.18112	1.1
417.17575	1.5
435.18652	1.4
503.16736	3.1
533.18451	3.1
535.19672	3.0
551.01288	1.3
561.18433	4.7
597.23523	16.1
597.33087	1.3
598.24713	1.6
620.23462	1.3
622.29163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76707	1.0
59.01388	49.3
61.17766	0.8
64.38407	0.9
91.78230	1.0
98.21786	1.4
107.12193	0.9
107.14907	0.9
121.02948	5.9
122.03771	2.8
127.01332	1.0
134.03703	1.0
146.03767	6.5
149.02460	41.5
150.03250	28.2
151.00369	0.9
158.45836	1.0
161.06143	1.3
164.04832	16.6
165.05592	39.4
166.02666	3.1
166.05957	1.5
179.07147	16.8
180.04265	3.0
181.05081	4.1
195.06638	42.1
196.07007	1.9
252.20900	1.0
273.73804	1.1
274.52768	0.9
280.07422	1.4
283.09784	1.6
312.06699	1.8
312.10065	18.9
313.10587	2.1
327.12424	100.0
328.12741	7.9
352.45660	1.0
357.13522	1.4
375.14536	26.4
376.14929	3.4
405.15695	1.5
417.15775	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	597.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05478	2.1
53.65835	2.0
54.64581	2.2
59.01386	50.0
60.63903	2.1
89.02462	2.8
98.21716	4.4
101.02391	2.2
113.02437	2.3
121.02915	2.7
122.03697	4.4
123.00881	2.3
124.01736	2.4
137.02452	10.0
139.04019	4.4
145.02837	2.3
146.03716	8.0
147.04668	2.3
149.02449	13.4
150.03250	49.2
150.23253	2.0
151.00375	26.7
151.03891	2.6
161.06139	4.4
161.08109	2.3
164.04730	9.7
165.01958	9.2
165.05588	76.9
166.01288	4.1
166.02722	82.6
167.03442	3.0
175.03976	4.7
179.07156	25.1
180.04263	6.3
181.05080	100.0
182.05423	4.0
190.06274	2.9
193.05156	3.8
195.06641	99.7
196.07004	3.4
205.08717	2.8
208.07423	2.8
209.08063	2.4
223.09775	4.1
225.07736	7.8
295.05789	2.1
297.04135	7.2
312.06461	8.1
312.09821	4.6
327.08740	18.4
327.12445	17.8
342.11099	23.2
357.13452	44.9
358.13770	3.2
373.05450	2.2
375.14594	36.5
387.10474	14.6
387.15155	3.6
402.13028	5.8
405.15616	49.6
406.15729	3.8
417.15588	80.3
418.16025	7.6
435.16650	10.4
457.46725	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	597.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96634	3.9
58.08452	4.5
59.01387	45.2
61.98828	15.8
68.97805	7.0
68.98207	40.1
68.99561	5.5
71.01376	17.7
73.02951	7.6
85.02944	8.4
86.69092	4.5
87.00832	5.0
89.02431	11.4
90.40788	4.4
96.96014	4.9
101.02446	19.0
113.02467	13.3
113.48812	4.7
116.92926	5.5
119.03539	6.1
125.02464	7.8
154.02789	4.6
162.03304	5.2
163.04034	22.9
178.06329	19.1
179.06889	4.6
181.05080	13.5
181.08618	5.6
193.08701	11.4
196.07445	18.5
197.08253	9.0
197.11707	5.8
211.09772	36.2
223.09853	6.8
241.58682	4.1
375.47580	4.4
385.15247	6.8
561.29181	100.0
562.29462	12.9
591.65466	5.1
597.26404	46.3
620.99438	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	597.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.8
61.98832	2.5
65.14260	0.5
71.01390	8.6
72.28288	0.5
72.99310	0.9
73.02948	2.1
75.00877	2.3
81.03465	11.4
83.01372	1.0
83.05034	34.2
84.05335	0.7
85.02975	2.9
87.00871	1.1
89.02460	5.7
89.02978	0.7
95.01411	0.7
96.96056	0.6
98.21719	0.9
99.00885	1.2
100.07697	4.8
101.02448	4.3
103.04032	0.8
113.02454	3.7
119.03514	1.9
120.33532	0.5
125.02489	1.1
126.05677	0.7
127.03992	0.6
127.26244	0.5
131.64319	0.5
132.17807	0.5
135.02985	0.9
143.03500	0.9
154.99879	0.9
161.04581	1.4
163.06119	1.3
179.05583	2.6
191.05634	1.5
199.13219	0.5
199.18187	6.9
207.15208	0.9
221.06529	0.7
224.17708	0.6
225.16106	7.9
243.12309	0.8
243.17137	19.0
244.17552	0.9
255.19595	0.8
269.15225	1.3
284.03351	0.5
285.04160	3.0
299.18427	0.6
309.21863	1.2
335.19788	0.6
353.20874	7.5
373.14923	1.3
435.22498	2.0
451.33054	2.1
469.33972	11.6
470.34271	1.7
479.25064	2.1
537.29224	1.1
579.37311	3.4
597.38733	100.0
598.16504	1.3
598.29468	0.7
598.39063	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	598.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
61.98838	100.0
62.86435	0.4
63.48952	0.3
71.01407	1.3
71.27479	0.6
72.99326	0.4
80.45941	0.4
83.01434	0.4
84.08952	0.4
85.02960	0.7
87.00896	0.5
87.05649	0.4
89.02464	0.6
97.12165	0.3
99.04593	0.4
101.02489	0.6
114.05633	0.7
121.03082	0.4
128.03587	1.3
129.06763	0.5
173.68666	0.3
180.04274	0.4
181.05032	0.3
181.71649	0.4
191.05637	0.4
199.11082	0.4
349.90582	0.4
418.16003	0.5
469.25073	0.7
597.28955	0.6
598.29590	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	598.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	4.4
61.98830	12.6
70.10429	1.4
70.78731	2.8
70.79749	1.4
74.02483	14.1
82.02995	3.7
86.02478	7.6
86.99108	1.5
87.05655	3.4
90.00221	1.6
99.05664	15.4
101.07228	2.6
102.05637	2.3
109.04092	2.6
109.07708	2.1
111.18277	1.4
112.04041	1.4
116.47286	1.3
121.39376	1.3
123.05658	1.7
127.05132	2.7
128.03560	43.8
135.05656	4.1
140.15436	1.5
141.06691	2.7
143.04642	53.9
144.05005	1.5
145.06195	1.9
146.04588	4.4
153.06674	3.8
158.92778	1.5
160.00748	18.1
167.04610	4.6
167.08270	2.9
177.03500	7.2
179.04694	13.8
181.06201	1.7
183.48573	1.5
197.05731	2.3
210.08827	8.4
254.07863	18.0
272.08899	27.9
288.06693	10.2
306.07690	100.0
307.08148	4.4
343.23618	1.5
598.27881	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	599.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.2
61.98832	5.8
69.72334	5.6
71.01392	12.1
73.02944	3.5
75.00876	3.8
83.01405	3.4
85.02970	4.2
87.00894	3.4
89.02457	6.4
93.03496	1.8
96.96024	23.0
99.00864	2.1
99.04530	5.9
101.02466	6.5
106.16171	1.2
108.02238	1.5
109.02975	1.6
111.00916	2.5
113.02471	5.0
114.93436	1.9
116.92886	2.4
119.03530	2.3
125.02412	2.1
134.03784	1.3
135.03044	8.9
135.04553	2.0
140.07188	1.4
145.01534	1.4
149.02495	2.2
150.03270	2.7
151.00386	4.0
152.73413	1.3
153.01976	1.6
154.99899	3.0
161.04556	1.4
165.01923	1.3
165.05595	3.4
191.05646	3.1
195.06665	2.5
208.53085	1.2
227.12958	1.6
239.83450	1.2
255.03020	44.5
255.05696	2.3
256.03812	26.6
269.04620	3.2
283.02515	67.3
284.03281	100.0
285.03802	11.5
327.21896	4.6
343.11920	2.4
351.21661	2.6
402.05457	1.2
403.14001	4.1
426.45920	1.4
437.08749	19.7
438.09119	3.7
446.08356	8.5
466.06131	1.3
491.59622	1.3
493.87769	1.4
599.13654	2.0
599.28766	2.7
600.18494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03438	0.5
58.76276	0.4
59.01096	0.6
59.01386	11.4
61.98840	2.1
63.16470	0.4
63.53532	0.4
65.00353	0.6
71.01019	0.8
71.01385	6.2
73.02962	1.5
75.00864	1.7
83.01384	1.9
85.02975	2.1
87.00890	1.3
89.02454	3.4
91.81108	0.4
93.03465	1.1
95.01398	1.1
96.96017	2.6
98.21807	0.9
99.00850	0.5
99.04524	0.6
101.02452	3.9
109.02941	0.7
113.02460	3.6
115.00404	0.6
116.92871	0.7
119.03532	1.1
122.33331	0.6
125.02459	1.1
127.00388	0.6
132.02257	0.5
133.02911	0.5
135.03018	4.4
135.04552	0.6
139.05542	0.5
141.47841	0.4
145.01486	0.6
149.02382	0.7
149.04584	0.5
150.03241	0.8
151.00357	2.2
153.01947	0.6
154.99869	2.0
161.04587	1.4
165.05591	1.1
179.05635	0.8
183.04584	0.7
191.05638	1.3
192.95396	0.4
193.05092	0.6
195.06647	0.9
196.40286	0.5
197.95964	0.4
200.98065	0.5
227.03491	1.4
255.03017	45.3
256.03775	28.1
256.05969	0.4
257.04211	1.7
283.02512	62.5
284.03278	100.0
285.03745	9.4
313.03409	1.0
343.11591	0.7
377.19778	1.0
395.20798	1.6
403.14011	1.3
437.08832	21.8
438.09189	2.3
446.08588	10.1
447.09192	1.4
539.25433	2.5
539.32495	0.6
557.25812	2.3
599.13782	1.8
599.27203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	22.3
59.16457	1.4
68.88537	1.2
70.91953	3.0
71.01387	19.5
71.02593	1.3
73.02959	5.4
74.00709	1.4
83.01408	3.2
85.02952	5.1
87.00889	3.2
89.02456	12.5
91.20196	1.5
101.02446	16.5
113.02486	5.0
115.25928	1.3
119.03557	3.7
125.02477	3.7
131.03514	5.0
147.57260	1.5
149.04555	2.7
161.04599	6.4
173.30496	1.5
191.05537	2.1
221.06621	3.8
259.77594	1.6
269.10339	5.6
401.14545	25.0
431.15952	1.6
437.20273	2.7
563.19855	100.0
564.20068	13.5
599.17523	24.8
599.25958	2.4
600.17902	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	599.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	62.0
61.98833	1.4
71.01385	3.8
71.26977	0.7
71.82297	0.7
73.02950	1.0
85.02957	1.5
87.00897	1.3
89.02450	2.5
95.01412	0.9
95.46049	0.7
101.02465	2.6
110.11886	0.7
113.02474	2.5
116.19011	0.8
121.02967	2.5
122.03757	1.1
123.04554	1.0
127.26257	0.7
135.02991	0.8
149.02455	45.8
150.03250	17.6
153.01837	1.0
164.04807	10.9
165.01953	1.1
165.05589	19.0
166.06348	1.5
167.07132	3.2
180.04211	2.1
181.08765	1.5
191.05536	1.2
195.06641	13.5
251.25948	0.9
283.09598	1.1
314.11670	22.3
315.11932	2.1
325.03430	0.8
329.13968	100.0
330.14285	9.4
333.03986	2.5
365.06714	1.0
377.16095	40.2
378.16272	3.8
405.02606	1.0
405.36279	0.7
419.04074	1.2
437.20166	1.4
481.26837	2.9
495.24432	2.3
513.25665	1.7
599.11005	7.6
599.29163	2.7
600.10846	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
57.55638	1.4
58.36106	1.3
59.01386	86.3
61.98824	3.8
62.13742	1.5
69.03484	1.7
71.01390	11.7
71.26997	2.3
72.99309	1.3
73.02955	10.1
74.46508	1.3
75.00871	2.5
78.34660	1.3
83.01400	13.1
85.02958	3.2
87.00900	1.6
89.02457	3.2
93.47615	1.5
95.78328	1.3
96.96014	2.8
97.06596	2.0
99.04543	2.4
101.02452	8.9
105.01985	1.5
113.02452	3.8
119.03556	1.8
121.02981	7.0
122.03751	11.7
123.04519	1.6
125.02454	2.4
127.00385	2.2
135.03004	5.2
135.04533	1.7
145.01465	2.8
152.04810	100.0
153.05466	5.2
154.99890	6.2
161.04610	3.0
167.03531	2.2
167.07156	86.9
167.10771	2.2
168.07550	2.8
176.88495	1.7
191.05635	2.4
204.03610	1.5
207.13898	2.9
209.11894	5.7
225.14990	11.0
227.12914	52.8
228.13266	2.0
233.11795	1.8
251.12907	3.5
260.59366	1.6
269.14038	9.6
285.04129	2.0
287.15106	11.8
311.14828	1.8
365.06491	1.7
409.05740	2.8
427.05408	1.4
431.19104	3.5
437.05054	5.5
455.53061	1.6
539.34851	1.7
581.26233	11.5
599.27161	87.1
600.27454	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	601.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.7
66.65460	0.3
70.87110	0.3
70.87438	0.3
71.01383	0.5
78.95920	57.1
96.92282	0.4
96.96981	100.0
108.81566	0.4
108.90234	0.5
113.02442	0.3
115.00397	0.5
125.29263	0.3
125.30293	0.3
128.03569	0.4
133.01431	0.7
179.05524	0.4
197.27734	0.3
199.00288	0.4
199.04486	0.3
259.02246	3.4
260.07675	0.4
273.88556	0.3
323.09845	0.6
503.16321	1.7
601.13831	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	601.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20818	2.2
57.03461	5.1
58.00592	2.5
59.01384	33.5
69.03467	4.8
71.01394	38.7
71.26731	2.6
72.99316	6.4
73.02949	21.5
75.00863	3.0
83.01395	3.9
85.02959	74.0
86.03257	2.5
87.00870	12.2
89.02453	27.5
95.01392	2.8
96.96021	40.7
97.02967	10.4
99.00896	10.9
99.04540	5.7
101.02447	26.5
111.00856	3.8
113.02461	64.5
115.04018	8.9
119.05116	2.3
119.87921	2.8
125.02419	4.1
127.04043	4.4
129.01877	2.6
131.03514	67.7
143.03510	25.1
145.05069	9.1
149.02483	4.6
149.04587	10.9
150.03249	10.4
153.05499	2.5
161.02480	7.1
165.01956	10.5
165.05563	15.2
173.04521	5.2
180.04269	8.5
182.29922	2.6
191.05658	7.6
194.92834	3.2
195.06647	30.5
205.07159	11.8
263.07739	18.6
277.00470	5.8
281.08835	9.8
323.09891	5.7
337.11530	10.2
345.13583	2.8
347.09958	6.3
349.11475	4.3
365.10922	5.5
367.12622	4.7
391.13223	8.0
393.15704	3.2
409.13626	12.3
439.16153	10.5
451.08896	2.8
451.14258	14.3
454.59515	2.8
469.15668	100.0
470.16016	6.3
511.16766	24.6
541.17480	4.1
541.33392	3.6
565.25189	13.2
601.22650	9.6
611.56940	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	601.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	75.4
61.98837	11.2
71.01382	5.5
71.27203	2.7
83.75304	2.0
88.65794	2.1
90.66801	2.2
93.03453	3.0
96.96007	6.2
100.68383	2.1
101.02460	3.1
112.76506	2.3
113.02509	2.1
121.02980	6.7
122.03759	9.0
123.04663	2.0
125.22097	2.3
137.06107	4.1
149.02454	38.8
150.03256	63.7
153.01892	2.9
153.05577	2.6
164.04807	14.3
165.05592	97.0
166.02650	3.9
166.05876	4.4
168.04298	4.8
169.05106	3.9
179.03590	2.8
180.04295	7.3
181.05124	3.5
183.06659	15.4
195.06650	100.0
196.06934	4.5
211.06081	2.4
230.09116	2.4
316.09528	14.3
331.11923	83.5
332.12183	6.2
333.10556	2.1
379.14020	58.2
380.14322	5.8
439.15723	2.3
511.82806	2.4
551.37830	2.5
590.63635	2.1
601.21985	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	601.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.98825	4.7
69.42204	10.9
71.01386	3.1
85.02972	3.0
93.03400	2.1
96.96017	10.3
113.02426	4.8
121.02917	2.4
122.03725	5.5
125.80173	2.1
133.59993	2.2
137.02449	3.5
139.59283	2.4
149.02478	20.5
150.03250	44.2
156.96431	2.3
164.04800	3.4
165.01959	33.5
165.05586	52.2
166.05962	3.8
174.88461	2.3
180.04286	33.2
193.79024	2.4
195.06660	100.0
196.06949	5.7
198.26328	2.5
243.08780	11.2
331.11945	8.2
391.14041	16.9
439.16165	41.3
440.16599	4.4
593.76801	2.7
608.66260	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.2
61.92070	0.4
71.01395	2.4
73.02951	1.1
75.00889	0.4
78.95905	1.3
79.95752	3.3
83.01390	0.4
85.02966	0.6
89.02451	1.3
96.96026	100.0
97.93170	0.4
98.22619	0.8
101.02452	1.7
111.00867	0.4
112.36834	0.4
113.02467	1.3
113.92641	1.4
114.93410	3.2
119.03571	0.4
123.54508	0.4
128.03561	1.4
129.03955	0.5
135.02994	0.9
161.04576	0.5
179.05641	1.2
229.92349	0.6
386.30939	0.4
399.23962	0.9
459.26294	0.5
497.20889	1.1
515.22327	0.9
522.45197	0.4
557.30432	2.3
601.33630	0.8
602.21033	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	601.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.7
61.98822	2.8
62.83873	1.1
69.31302	7.2
71.01392	21.4
72.99319	1.7
73.02948	3.9
75.00890	2.1
78.95945	2.2
79.95742	3.6
83.01405	3.1
85.02965	4.8
87.00874	4.3
89.02451	14.1
94.98093	2.1
96.96024	100.0
96.97016	4.6
97.93163	1.4
99.00864	2.6
101.02458	11.6
102.77230	1.3
113.02456	8.0
113.92635	3.4
114.93441	9.5
116.92881	3.2
119.03536	7.1
125.02457	1.2
128.03487	1.3
131.03532	1.4
135.03023	4.2
135.07976	1.2
143.03488	1.4
161.04614	6.1
179.05629	15.5
179.42540	1.1
193.05008	1.3
221.06636	10.4
221.09906	2.0
257.30249	1.1
263.07736	3.7
268.91113	1.3
268.94354	1.1
285.04221	1.5
389.82736	1.3
399.24005	2.3
417.25055	1.7
459.26404	1.9
462.76382	1.3
497.20486	1.8
515.21698	4.7
541.26544	1.2
557.30023	3.6
559.27679	2.1
592.95746	1.3
601.16913	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	603.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01134	1.1
59.01386	13.8
61.96805	0.9
61.98822	3.4
64.28814	0.8
69.99349	0.9
71.01388	14.0
71.26216	1.3
73.02956	5.9
75.00868	3.7
78.95879	2.5
82.95416	2.7
83.01395	2.6
84.95118	1.4
85.02968	8.6
87.00877	2.2
87.04487	0.9
89.02448	6.5
91.01894	6.4
95.01405	2.7
99.00908	1.5
101.02459	10.6
103.95739	0.9
108.02167	9.4
109.02959	3.9
111.00928	1.1
113.02451	8.4
119.03497	3.1
121.02943	1.3
123.00887	3.2
125.02472	2.1
134.34424	0.9
135.00909	11.2
135.03014	5.2
137.02428	2.6
140.80542	0.8
143.03499	1.5
152.01172	11.1
152.99619	2.5
153.01913	1.6
161.04561	8.4
165.04066	2.6
172.96785	1.0
179.05608	1.7
191.05621	1.9
197.06111	1.9
236.54727	1.1
243.06621	100.0
244.07002	6.9
287.22479	1.4
297.06137	2.0
315.07919	1.2
323.09814	1.2
395.20712	3.5
405.11920	58.6
406.12311	4.8
481.08670	1.1
543.27441	1.2
557.25970	25.2
558.25751	1.5
561.28448	2.3
603.28076	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	603.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
58.00585	0.7
59.01386	40.0
59.72401	0.7
61.98826	1.9
71.01389	22.1
71.27744	0.9
72.48713	0.7
72.99298	2.1
73.02945	5.7
75.00858	3.6
83.01381	2.1
85.00991	0.9
85.02975	6.5
87.00887	2.9
89.02454	14.0
95.01408	2.4
96.96011	8.6
98.95599	5.9
99.00899	2.2
99.91930	1.1
99.92595	17.6
100.92640	0.8
100.93364	2.1
101.02454	11.1
103.00359	1.9
108.67498	0.7
111.00879	1.5
112.98827	1.5
113.01735	1.3
113.02464	16.4
115.92089	30.1
116.92873	100.0
117.92901	4.3
119.03531	6.6
131.01567	1.5
131.03522	1.5
135.03035	4.8
140.92941	0.7
141.93655	0.9
142.94498	1.2
143.03529	1.6
145.01474	1.9
161.04581	4.9
165.86891	0.6
179.05690	3.9
184.91826	1.5
198.93518	0.7
295.13873	1.4
321.11862	1.4
408.50958	0.7
481.15967	2.9
499.29874	1.2
509.12399	1.1
515.19757	1.8
517.17926	2.7
523.16730	3.1
543.28168	9.0
544.28748	0.9
559.18335	5.5
560.19440	0.9
561.29474	5.0
562.29999	1.1
603.21143	39.2
604.21387	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	603.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06787	15.7
52.32539	17.0
52.63086	16.7
53.30264	14.7
59.01389	60.9
59.21653	17.1
61.98847	100.0
71.01384	41.8
71.26505	24.1
79.71881	17.9
85.02972	26.5
85.67152	17.8
89.02444	23.8
100.80369	17.8
103.31223	18.6
109.02982	18.4
150.03279	35.1
165.05597	32.0
173.04498	21.8
195.06564	25.7
209.08191	26.5
320.74252	19.6
387.81342	21.4
460.28476	18.0
594.40839	20.9
603.22406	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	19.6
57.03440	1.0
58.00594	0.4
59.01388	14.5
59.14012	0.4
59.30313	0.5
60.01704	0.4
61.98834	0.5
71.01391	7.6
71.27242	0.8
72.99306	0.6
73.02954	3.1
75.00867	0.7
80.97629	0.4
82.80080	0.5
82.95424	0.4
83.01402	8.4
85.02946	2.2
86.14401	0.4
87.00880	3.1
89.02454	4.0
92.94624	0.4
95.01408	0.6
99.00887	2.0
99.04517	0.5
101.02457	3.1
111.00904	2.2
111.98035	0.6
112.98866	2.4
113.02437	2.3
115.00404	0.5
116.92894	0.6
117.01968	1.3
119.03499	1.3
125.02530	0.6
127.00404	4.3
129.01970	0.8
135.02992	1.2
135.11809	0.4
142.99825	0.7
143.03525	0.7
145.01434	1.8
154.99886	100.0
156.00240	3.0
161.04553	0.8
179.05620	0.9
183.10323	0.5
191.05652	1.7
205.12384	0.5
223.13396	5.7
224.13664	0.4
243.12573	1.1
267.12387	4.6
280.30264	0.4
285.13431	0.6
287.15076	1.5
361.42090	0.4
399.20181	0.6
447.18842	2.3
455.19476	0.6
505.65726	0.5
523.54547	0.5
603.24438	0.9
611.42163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05975	12.1
56.07726	13.1
57.42957	12.9
78.95924	14.5
85.00467	19.3
88.00417	13.5
88.98826	100.0
89.02446	65.8
98.04597	14.7
148.91022	26.7
168.90805	12.0
176.50827	14.4
215.18832	14.8
281.17627	13.5
349.36798	15.1
417.41690	16.9
542.76526	17.9
603.20404	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	603.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66510	3.1
59.01396	7.9
60.99317	15.2
61.98825	5.4
71.28320	4.9
87.00878	10.2
88.00397	8.4
88.98814	97.2
89.01885	5.0
89.02457	100.0
95.95772	2.8
95.96461	2.6
103.90337	2.8
103.92049	4.0
148.90982	6.6
210.89349	3.0
217.71802	3.1
277.21854	4.5
347.43280	3.6
366.77136	3.0
603.20013	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39589	0.7
55.01890	2.9
57.03448	2.8
58.00604	2.2
59.01387	100.0
60.01722	1.2
61.98841	2.7
62.65833	0.7
64.42173	0.8
69.03487	1.4
70.79092	1.7
71.01392	57.2
72.01751	0.9
72.99328	3.5
73.02959	10.8
75.00892	1.3
83.01402	6.7
84.81541	0.7
85.02962	21.7
87.00883	4.2
89.02457	27.0
91.93660	0.7
95.01407	5.0
96.96058	1.3
97.03001	1.6
99.00894	5.4
99.92603	0.9
101.02457	33.1
111.00928	2.4
113.02463	33.2
114.02802	1.1
116.92894	2.7
119.03522	10.2
124.01717	2.2
125.02457	3.6
129.01994	2.1
131.03540	1.4
143.03517	6.4
149.04620	1.3
159.03075	2.6
161.04570	10.8
179.05707	2.5
327.16913	0.7
381.22742	3.8
399.23907	7.1
488.35565	1.0
507.26315	0.9
543.28192	72.9
544.28448	9.7
561.29242	71.8
562.29370	9.8
603.30383	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	604.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
55.83353	0.2
59.01383	3.6
60.01726	0.4
61.98837	100.0
69.34996	0.8
69.35426	0.6
71.01389	2.4
72.99302	0.2
73.02959	0.5
75.16080	0.2
85.02969	0.7
87.00872	0.2
89.02448	1.5
96.94664	0.2
97.54784	0.2
98.22476	0.5
99.00903	0.3
99.92600	1.2
100.89224	0.2
100.92623	0.5
101.02460	1.4
101.28973	0.2
113.02484	1.1
114.02811	0.3
115.92083	2.4
115.92681	0.2
116.92123	0.9
116.92869	7.0
117.92883	3.0
119.03513	0.5
120.20388	0.2
132.03706	0.2
143.03578	0.3
151.00424	0.2
161.04663	0.6
168.78925	0.2
179.05626	0.5
181.05112	0.3
219.91940	0.2
312.93643	0.2
544.28497	0.6
560.19049	0.6
562.29993	0.7
604.17920	1.5
604.27216	0.2
605.17743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	66.6
65.42537	3.6
69.07725	27.0
71.01385	39.1
72.99310	4.1
73.02953	14.2
75.00880	17.1
75.27676	3.5
83.01425	4.4
85.02975	8.5
87.00873	9.7
89.02450	40.1
96.95979	4.5
98.22545	7.0
101.02466	30.8
111.00885	11.9
113.02450	13.9
119.03523	13.8
119.05029	22.1
134.03790	6.9
135.03012	36.7
135.04604	5.3
147.03020	5.2
161.04541	4.1
163.04024	25.4
165.04091	7.1
173.04561	4.6
178.02783	4.1
179.03497	4.3
191.05634	3.8
193.05081	8.7
195.54185	3.5
321.57730	3.8
323.13507	100.0
344.90042	3.7
420.83994	4.1
455.06387	4.0
487.14731	11.5
495.84708	3.9
517.16290	4.8
605.24438	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	605.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03455	4.3
59.01384	42.5
66.77888	0.7
68.99802	1.9
71.01393	7.3
71.05028	1.2
72.99314	0.9
73.02942	1.7
75.00877	1.0
79.30830	0.8
83.01364	1.7
83.05029	6.1
85.02953	5.8
87.00900	7.1
89.02454	4.5
95.01395	1.4
95.05043	0.6
97.02970	0.9
97.06586	2.0
99.00890	3.1
99.04456	0.8
101.02447	5.1
109.06601	1.8
111.00883	2.0
111.04541	8.3
111.08168	1.2
113.02454	5.2
113.99602	9.1
115.00404	4.0
119.03517	2.1
123.08157	3.2
125.02478	0.9
127.00376	2.0
127.51594	0.8
129.01961	1.4
134.59337	0.7
139.00409	2.9
145.01430	1.1
150.06795	1.1
154.99893	2.1
157.01456	2.3
161.04533	1.2
163.06145	1.1
163.11272	4.9
165.09227	4.1
169.01541	1.0
179.05647	2.6
181.12379	1.2
197.11862	3.3
207.10312	1.8
223.13391	5.5
225.11333	21.8
226.11700	0.8
227.12868	1.0
231.95538	0.8
241.14336	0.9
277.05713	12.0
285.13455	26.0
285.16599	1.4
286.13821	1.9
301.05814	1.1
319.06699	1.6
337.07730	3.6
433.91379	0.8
443.45535	0.8
487.25580	3.6
605.20905	100.0
606.21301	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	605.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95811	0.4
52.50000	0.3
61.98842	0.6
63.73940	0.5
69.61368	2.3
97.90051	0.4
111.96687	0.4
116.28808	0.4
117.76611	0.4
123.29841	0.4
153.15981	0.4
242.66925	0.4
258.60519	0.4
261.10327	0.4
289.79504	0.5
415.15802	0.7
429.17325	0.7
430.18048	1.3
443.19144	0.9
444.19910	0.5
457.20422	1.2
459.17670	2.4
461.23370	0.6
470.21146	0.9
471.18295	1.7
473.19525	3.5
474.20233	1.1
475.21445	0.7
485.19812	1.8
485.24533	0.7
486.20877	3.3
487.21048	0.8
496.19092	0.7
497.19540	0.5
499.17566	2.0
500.18085	0.8
501.23856	2.2
503.20871	0.5
511.21448	2.2
513.19330	2.3
514.20074	7.3
515.20795	0.9
517.18805	1.1
518.19641	1.4
529.22522	100.0
530.22791	20.0
532.21039	1.7
533.22028	2.4
555.67664	0.4
561.24756	0.9
562.25299	0.5
573.21521	1.5
605.23779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34615	1.2
54.59922	1.2
55.01875	3.5
57.03441	3.7
59.01386	100.0
61.98837	15.7
69.19546	4.5
69.19979	5.9
71.01390	49.6
72.99308	1.6
73.02976	13.1
75.00879	3.1
82.55064	1.3
83.01400	7.6
84.63587	1.3
85.02960	21.7
87.00877	4.6
89.02448	12.4
95.01390	4.4
96.96014	3.6
97.02958	3.2
99.00913	6.3
99.04537	4.2
99.33536	1.2
101.02454	29.7
101.28143	1.3
111.00864	2.7
112.01654	1.6
112.98843	1.7
113.02467	22.6
119.03521	4.8
124.01662	1.3
125.02429	2.9
128.47446	1.5
131.03471	1.4
135.03001	2.3
143.03485	4.0
154.99904	1.8
159.03008	2.0
161.04617	7.9
179.05612	2.8
212.18486	1.2
236.23514	1.3
274.56689	1.3
285.04147	2.1
311.49860	1.3
383.24207	2.0
391.47339	1.3
401.25409	5.5
407.20428	2.0
485.31085	2.5
487.25162	1.9
545.29749	56.4
546.30341	6.7
561.32782	24.7
562.32996	4.1
563.30725	44.4
564.30969	5.0
605.31934	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	606.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.3
58.00592	2.8
59.01096	3.4
59.01387	53.7
61.98825	3.1
62.01796	2.7
71.01396	50.7
71.26948	4.9
73.02950	12.4
78.27156	2.3
83.01405	8.2
85.02954	15.1
87.00895	7.6
89.02464	28.3
99.00909	6.0
101.02454	37.0
111.00910	20.5
113.02493	16.4
119.03526	8.1
125.02455	5.6
131.03531	10.6
143.03520	3.5
143.12303	2.5
149.04559	4.2
149.37244	2.6
161.04536	14.4
162.04817	2.4
165.05635	3.2
172.06146	4.2
179.05658	4.7
188.97437	3.1
193.38644	3.2
209.08353	2.7
221.06737	4.4
221.11810	5.0
222.12181	5.5
269.10291	7.4
401.14566	38.8
563.19897	100.0
564.20148	9.5
606.24042	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99987	0.7
59.01385	11.8
61.98823	1.5
68.11229	0.8
71.01391	13.4
72.99316	0.9
73.02945	1.2
82.95428	0.8
85.02954	3.4
87.00845	1.0
89.02443	7.7
95.01408	1.0
97.92506	0.7
101.02461	5.5
111.00889	6.1
113.02452	4.1
119.03521	3.2
133.05081	0.8
138.16068	0.7
143.03523	0.8
143.34386	0.7
149.04582	0.7
151.03957	2.7
161.04604	4.1
164.04732	0.9
165.05534	0.8
167.07051	0.9
173.00969	1.3
175.29440	0.9
179.03511	6.0
179.05663	2.6
188.80698	0.9
191.05618	1.0
194.05873	9.8
195.06483	1.2
197.00475	0.7
209.08211	100.0
210.08484	5.8
215.99501	0.9
235.08197	1.4
270.05344	0.8
445.11633	1.4
445.17215	17.8
446.17499	2.1
499.52029	0.9
607.21863	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	607.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99987	0.7
59.01385	11.8
61.98823	1.5
68.11229	0.8
71.01391	13.4
72.99316	0.9
73.02945	1.2
82.95428	0.8
85.02954	3.4
87.00845	1.0
89.02443	7.7
95.01408	1.0
97.92506	0.7
101.02461	5.5
111.00889	6.1
113.02452	4.1
119.03521	3.2
133.05081	0.8
138.16068	0.7
143.03523	0.8
143.34386	0.7
149.04582	0.7
151.03957	2.7
161.04604	4.1
164.04732	0.9
165.05534	0.8
167.07051	0.9
173.00969	1.3
175.29440	0.9
179.03511	6.0
179.05663	2.6
188.80698	0.9
191.05618	1.0
194.05873	9.8
195.06483	1.2
197.00475	0.7
209.08211	100.0
210.08484	5.8
215.99501	0.9
235.08197	1.4
270.05344	0.8
445.11633	1.4
445.17215	17.8
446.17499	2.1
499.52029	0.9
607.21863	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	607.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03461	0.9
59.01386	53.4
60.01711	0.6
67.01881	0.5
68.99809	1.8
71.01389	3.9
73.02948	0.8
75.00864	0.9
78.17290	0.5
83.01390	1.0
85.02960	4.4
87.00882	3.1
88.98817	0.7
89.02457	1.5
95.01411	1.4
99.00892	2.3
99.04531	1.8
101.01861	0.6
101.02481	1.7
102.51532	0.4
111.00895	10.9
113.02474	3.7
113.73138	0.4
113.99603	6.8
115.00400	3.2
127.00416	1.5
129.01965	1.0
135.03014	0.8
139.00385	3.0
156.00627	1.0
157.01414	1.9
165.12830	1.5
167.10796	0.6
169.01559	0.5
173.00885	1.3
174.01674	1.1
175.02563	0.8
207.13922	2.8
209.11842	6.2
225.14995	4.2
227.12903	31.3
228.13194	1.7
251.12939	1.2
269.14011	5.9
277.05673	10.4
278.06189	0.5
287.15030	36.7
288.15384	2.6
301.05728	0.9
319.06705	7.8
337.07813	7.2
403.45880	0.5
444.16391	0.7
445.17151	0.6
506.34686	0.4
514.51550	0.5
607.22485	100.0
608.22906	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	607.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	3.2
59.01391	63.4
69.03477	3.4
69.15327	18.8
69.15749	9.1
71.01395	64.6
72.99307	4.9
73.02962	34.9
83.01410	18.0
83.50534	3.6
85.02986	16.5
87.00887	12.0
89.02462	44.9
97.02976	22.7
98.21799	7.1
101.02466	69.5
111.00910	5.1
113.02490	23.0
115.00410	5.0
119.03525	22.1
125.02486	4.9
131.03566	3.7
133.01419	9.5
135.02998	5.8
138.33939	3.1
143.03488	21.7
154.99884	4.2
161.04584	100.0
179.05630	33.3
191.05603	5.6
221.06750	7.3
239.37744	3.3
263.07776	6.9
303.14594	4.1
426.27795	3.3
489.13852	12.0
490.14337	4.0
563.22937	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	607.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79296	2.5
55.01881	2.7
57.03454	3.8
59.01382	52.0
61.98814	2.3
64.42357	2.2
71.01389	69.1
71.27055	4.1
73.02950	9.0
75.00868	4.9
79.87444	2.1
83.01386	3.4
85.02960	37.8
87.00872	8.8
89.02459	40.2
95.01404	16.4
96.96037	6.7
101.02451	22.3
101.92171	2.4
105.24775	2.7
111.00875	3.1
113.02466	100.0
115.00358	4.2
119.03497	16.5
122.65442	2.4
125.02491	5.4
131.03519	3.8
133.01440	3.4
135.02989	6.1
143.03522	7.6
149.06133	3.2
161.04552	46.9
165.05673	3.5
167.07155	6.7
175.41164	2.3
179.05635	25.7
179.07082	2.8
179.10866	3.7
203.10883	2.6
205.12361	18.5
221.06660	7.4
263.07733	5.0
317.11911	2.1
323.09799	11.1
337.10706	4.8
341.10934	3.3
357.09735	3.7
363.14398	3.7
607.21710	2.8
620.20520	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	607.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76112	1.5
57.03455	3.0
58.00605	2.4
59.01386	100.0
60.99321	2.4
61.98826	3.5
69.00231	14.8
71.01392	30.9
73.02957	8.4
75.00877	4.0
81.11521	1.6
83.01404	4.7
85.02967	15.3
87.00906	3.1
88.98816	13.2
89.02459	12.5
89.35440	1.8
92.49267	1.6
92.93610	1.5
95.01418	4.6
97.06616	8.3
98.21819	3.2
99.00880	2.9
101.02454	23.0
105.01910	1.7
111.00885	3.2
113.02464	23.6
116.92881	3.1
119.03541	5.7
122.74935	1.6
125.02464	1.9
129.01958	2.0
135.03018	6.5
143.03485	2.6
161.04570	8.8
166.86041	1.9
177.70551	1.7
179.05646	3.3
191.05679	2.2
243.19582	3.8
255.02792	2.0
261.36856	1.5
269.02240	1.6
269.04483	8.6
277.05841	1.7
285.04129	2.0
287.14975	2.4
309.20883	2.3
355.12881	1.7
359.28104	2.2
387.23877	2.5
400.75287	1.9
405.25186	2.4
445.05280	2.7
453.59686	1.8
485.30878	2.0
489.27103	20.1
503.32321	48.9
504.32623	6.2
521.33398	14.1
522.34094	2.0
563.31073	6.4
565.28973	2.8
607.29828	11.1
608.29724	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	607.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03452	2.0
59.01102	2.3
59.01385	40.6
61.98841	1.4
64.24609	1.1
66.49978	1.3
69.25651	7.2
69.26057	1.9
71.01395	15.8
71.05016	2.3
72.99294	1.9
73.02943	3.6
75.00861	1.8
83.01388	2.2
85.02966	6.9
87.00866	1.5
88.98769	1.6
89.02448	5.6
97.02917	1.2
99.00888	2.0
99.31179	1.1
99.92609	10.6
101.02454	9.7
113.02463	9.4
116.92873	100.0
117.92915	6.4
119.03486	3.7
135.02951	2.0
161.04593	6.6
175.73576	1.2
191.05556	1.5
201.11334	2.0
206.83020	1.3
257.21100	1.7
285.04034	1.8
298.96457	1.4
359.27942	2.0
489.27328	6.0
503.32236	21.6
504.32471	3.6
521.33038	9.6
563.33826	2.1
607.29895	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	609.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
63.02402	1.0
65.00322	0.8
71.08607	1.2
83.01377	0.5
92.52374	0.4
107.01392	1.7
109.02976	0.8
125.24745	0.4
133.02983	4.3
149.02469	1.3
151.00386	3.6
157.03094	0.4
175.03992	1.7
199.03978	2.0
201.01942	0.7
213.05635	0.5
217.05034	0.9
236.14040	0.4
243.03001	0.7
256.03815	1.3
257.04468	0.5
267.96252	0.4
284.03308	10.7
285.04071	100.0
286.04413	8.0
447.09143	2.0
475.24713	0.4
609.14636	46.9
610.14807	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	609.1467
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.76358	0.5
59.01380	4.4
59.48999	0.6
61.98832	3.5
63.02417	0.8
63.97533	0.6
69.17036	1.0
69.17433	4.2
70.35722	0.5
71.01390	3.5
73.02980	0.8
79.64268	0.5
83.01413	1.0
85.02974	1.1
88.12845	0.6
89.02470	2.5
101.02477	2.6
107.01434	2.1
109.02968	1.7
113.02497	1.9
119.03545	1.6
121.02937	1.2
131.03560	0.9
133.02943	4.8
135.04555	1.7
149.02461	2.9
151.00426	4.0
161.02446	0.8
161.04625	0.9
169.01453	0.6
175.03947	1.0
179.03523	1.7
179.05672	1.3
179.07027	0.6
197.06059	0.9
199.04033	2.0
201.01935	0.6
211.04001	0.7
212.04840	0.6
217.05020	0.9
221.06618	0.7
241.05009	0.9
243.03030	0.8
251.05678	1.1
255.02821	0.7
256.03894	1.5
269.04550	0.7
284.03281	21.2
285.04062	100.0
286.04385	7.1
297.03864	0.8
300.02802	1.2
305.12402	2.3
327.05057	2.0
429.14423	0.7
447.09348	73.1
448.09634	8.2
549.25421	1.2
567.26196	0.7
609.14429	24.1
610.14880	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	609.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17477	0.3
54.37549	0.4
57.48836	0.3
59.01368	0.6
62.57891	0.3
65.00327	0.4
66.62286	0.4
70.42741	1.0
88.12831	0.5
101.02432	0.4
107.01398	1.0
109.02977	0.4
109.38084	0.4
119.03590	0.4
122.80450	0.4
133.02916	1.9
149.02443	0.9
151.00414	2.5
175.04015	1.3
199.03946	0.7
217.05161	0.7
227.03400	0.4
255.03014	1.1
256.03760	1.9
283.02673	0.4
284.03290	36.2
285.04059	89.3
286.04395	6.4
327.05164	1.2
365.94138	0.4
447.09357	100.0
448.09695	12.3
482.80310	0.4
549.25891	0.6
571.50970	0.4
609.14642	3.8
610.15155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88079	0.5
55.69289	0.4
58.56969	0.4
63.02416	0.5
77.99266	0.5
107.01394	1.5
121.03035	0.6
133.02957	3.7
134.96461	0.5
149.02470	1.1
151.00351	3.2
171.04439	0.7
175.04005	1.6
199.04022	2.1
201.02026	0.9
211.04068	0.7
217.05032	1.1
227.03615	0.7
228.69438	0.5
239.03511	0.6
241.05138	1.2
243.03043	0.9
255.03061	3.3
256.03793	1.8
283.02490	1.8
284.03308	34.2
285.04074	100.0
286.04419	7.7
311.13815	0.5
311.66983	0.6
327.05203	0.9
446.08630	0.6
447.09390	62.8
448.09711	7.8
541.79785	0.5
609.14661	39.6
610.14905	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	609.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98817	1.8
63.02389	0.7
65.00319	1.6
68.80836	0.5
69.39991	4.1
71.01374	1.1
73.02926	0.6
78.80074	0.7
83.01392	0.9
89.02439	1.3
101.02467	1.4
103.59760	0.7
104.89732	0.6
107.01414	3.7
107.05145	0.7
108.02202	0.8
109.02956	1.6
119.27817	0.5
121.02969	2.2
133.02969	1.2
135.00879	1.0
146.08189	0.7
148.01680	1.6
149.02425	1.2
150.03172	1.4
151.00383	14.5
153.76389	0.6
156.97897	0.6
159.04477	0.6
161.02425	0.8
163.00414	2.9
164.01167	0.8
165.05583	1.8
169.01395	0.7
171.04485	0.7
175.03993	1.4
178.99893	6.6
179.07224	0.6
182.02223	0.6
183.04594	0.6
187.04030	0.9
193.01265	0.6
195.06622	2.4
199.03947	1.4
208.03789	0.8
211.03979	1.7
215.03552	0.9
223.06155	2.4
226.02783	2.0
227.03444	3.8
229.05095	0.8
243.02965	11.1
244.03580	0.8
245.04549	1.3
254.02144	2.1
255.03006	30.7
256.03433	3.3
271.02505	64.0
272.02933	5.6
273.04129	0.7
283.02414	1.3
284.03317	6.3
285.04077	20.0
286.04413	1.4
299.02039	1.3
300.02786	93.7
301.03516	45.2
302.04034	3.0
343.04636	1.0
447.09250	10.2
448.09842	1.1
609.14618	100.0
610.15015	16.2
610.24640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78979	0.3
58.36446	0.3
59.01369	1.3
63.02391	1.1
65.00327	0.6
65.53469	0.2
66.67444	0.2
69.14497	2.2
71.01359	0.8
82.42216	0.2
83.01400	0.7
88.98792	0.3
89.02424	0.6
93.86067	0.3
100.50881	0.3
107.01389	1.1
107.55085	0.3
109.02939	0.6
109.83640	0.3
121.02962	0.6
123.00912	0.3
133.02057	0.5
133.02980	4.4
134.03627	0.3
149.02432	1.3
151.00385	3.7
171.04503	0.3
175.04021	2.0
177.02002	0.3
183.04604	0.3
198.03346	0.4
199.04034	1.5
201.01944	0.7
211.03914	0.3
213.05653	0.5
215.03448	0.3
217.05096	0.9
227.03537	0.4
239.03674	0.4
241.05083	0.7
243.02837	0.5
256.03754	0.9
284.03299	10.1
285.04071	100.0
286.04419	8.5
377.79239	0.3
447.09500	1.0
510.16165	0.3
564.16034	0.3
609.14661	45.2
610.00873	0.3
610.15021	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1984
Annotation	2,4-Divinylprotochlorophyllide
Peak:m/z	Relative Intensity
57.33358	1.0
59.01372	1.6
61.98836	1.9
68.99821	15.9
93.03484	1.2
95.01414	2.3
104.54922	1.2
109.02955	1.9
112.31538	1.0
121.02960	1.3
123.00909	10.1
124.01683	2.0
125.02469	4.4
137.02480	2.8
138.03249	24.7
139.03934	1.4
147.00986	1.9
149.02457	1.7
153.01947	5.6
153.05591	32.5
154.05975	1.5
162.03207	2.6
163.00398	1.6
165.01935	9.5
168.04291	22.3
175.00368	9.4
175.04034	4.1
176.01161	12.9
177.01921	8.8
177.05592	4.1
178.02760	4.4
180.04271	2.5
190.06337	1.4
191.03516	11.8
192.04298	17.7
193.01445	20.9
193.05081	8.0
207.06650	18.5
208.03784	34.3
209.04437	2.4
210.07047	1.6
218.05814	9.2
223.06128	100.0
224.06566	4.3
241.04980	1.4
254.05844	1.7
265.05069	1.7
265.08264	1.1
266.05893	5.2
269.08035	1.5
271.71030	1.2
277.05264	1.8
278.05875	8.2
279.06528	1.8
281.08176	3.1
282.05371	1.7
285.04047	1.3
291.06482	1.6
297.07706	1.7
306.05383	9.4
307.06113	6.6
310.04907	2.8
320.07065	2.3
321.07690	26.0
321.11288	1.8
322.04968	1.6
322.08398	5.8
324.06238	2.3
325.07205	16.0
325.10666	1.8
335.09314	1.8
336.10062	7.6
337.07181	17.6
337.10779	2.2
338.07547	1.9
339.08734	4.3
340.09488	15.6
352.09482	3.3
354.11157	9.9
355.07742	2.1
355.11935	29.2
356.12445	2.4
367.11890	40.2
368.12253	3.6
388.45645	1.2
451.09802	1.3
547.16675	1.2
549.18127	2.1
579.19012	2.5
609.19940	35.3
609.34650	1.5
610.20398	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.1
57.03442	4.2
57.74749	2.7
59.01389	78.6
60.01711	3.6
60.34538	2.3
61.98823	4.5
65.00345	4.3
71.01396	24.7
72.99304	3.9
73.02953	7.8
75.00874	4.7
83.01404	14.8
83.05030	8.9
85.02960	10.4
87.00881	15.9
88.98837	6.6
89.02446	10.7
95.37707	3.1
101.02446	17.0
107.01392	6.1
109.06517	2.8
109.50217	2.3
111.00889	4.6
111.04526	10.7
112.98840	5.5
113.02467	8.5
119.03545	4.5
121.71128	2.2
123.08190	4.7
129.01949	4.8
133.02968	4.1
135.03024	7.6
135.89151	2.5
145.01443	8.4
151.00394	13.7
154.99881	59.2
161.04611	2.8
163.11282	5.0
165.09225	3.4
173.00914	3.5
191.05634	5.6
201.11066	2.7
222.06894	7.9
223.07635	4.7
223.13423	6.8
225.11365	25.5
227.03328	3.5
227.12875	5.0
237.05579	11.1
243.12447	2.6
280.28027	2.5
283.02475	3.5
284.03223	7.3
285.04068	58.1
285.13437	53.6
286.04510	3.4
286.13763	4.1
287.14990	6.3
301.07513	3.7
327.14554	4.3
357.12326	2.9
374.08127	10.6
375.08792	43.2
376.08850	3.8
403.16153	100.0
404.16605	7.2
405.17688	5.1
445.17072	7.5
447.09470	4.8
459.75012	3.0
537.14166	58.3
538.14282	6.1
565.13849	10.1
567.30438	4.1
609.14429	21.2
609.31250	9.1
610.14429	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	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	1.7
61.96110	1.6
61.98830	6.0
71.01391	9.2
71.26250	2.5
73.02961	2.7
85.02972	4.7
86.23680	1.6
87.00897	2.8
88.98782	2.0
89.02466	4.3
96.36338	1.7
99.04502	1.5
101.02451	8.1
102.88827	1.5
113.02471	5.1
119.03540	1.7
121.02953	3.2
125.02493	2.9
133.02991	2.0
135.04535	1.8
137.02350	2.0
149.02351	1.4
150.03224	2.4
160.01704	2.7
164.18182	1.5
165.05571	2.7
175.04065	1.7
177.02002	1.6
177.05579	7.2
179.05687	2.9
180.04265	3.3
181.50418	1.7
191.05598	3.0
193.05099	1.8
195.06644	4.8
205.03470	1.9
205.09024	1.6
268.07529	4.2
283.09750	2.2
284.03311	3.4
284.06741	1.7
285.01184	2.5
285.04077	24.8
285.13297	4.5
286.04465	3.3
287.14948	1.6
296.06894	2.5
297.07675	2.3
309.07642	6.7
312.06332	4.3
312.09857	2.3
321.07996	2.1
324.10138	3.4
327.08749	18.1
327.12494	6.7
339.08762	15.3
339.12311	4.0
340.09061	1.9
342.11142	14.6
343.11667	2.0
346.13815	1.5
354.11093	5.5
357.13474	30.2
361.16064	8.1
369.13431	21.1
370.13632	2.2
387.14529	77.7
388.15027	9.7
388.19412	2.0
403.19690	1.8
447.09579	3.2
609.14233	5.6
609.24542	3.5
632.14581	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	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	1.7
61.96110	1.6
61.98830	6.0
71.01391	9.2
71.26250	2.5
73.02961	2.7
85.02972	4.7
86.23680	1.6
87.00897	2.8
88.98782	2.0
89.02466	4.3
96.36338	1.7
99.04502	1.5
101.02451	8.1
102.88827	1.5
113.02471	5.1
119.03540	1.7
121.02953	3.2
125.02493	2.9
133.02991	2.0
135.04535	1.8
137.02350	2.0
149.02351	1.4
150.03224	2.4
160.01704	2.7
164.18182	1.5
165.05571	2.7
175.04065	1.7
177.02002	1.6
177.05579	7.2
179.05687	2.9
180.04265	3.3
181.50418	1.7
191.05598	3.0
193.05099	1.8
195.06644	4.8
205.03470	1.9
205.09024	1.6
268.07529	4.2
283.09750	2.2
284.03311	3.4
284.06741	1.7
285.01184	2.5
285.04077	24.8
285.13297	4.5
286.04465	3.3
287.14948	1.6
296.06894	2.5
297.07675	2.3
309.07642	6.7
312.06332	4.3
312.09857	2.3
321.07996	2.1
324.10138	3.4
327.08749	18.1
327.12494	6.7
339.08762	15.3
339.12311	4.0
340.09061	1.9
342.11142	14.6
343.11667	2.0
346.13815	1.5
354.11093	5.5
357.13474	30.2
361.16064	8.1
369.13431	21.1
370.13632	2.2
387.14529	77.7
388.15027	9.7
388.19412	2.0
403.19690	1.8
447.09579	3.2
609.14233	5.6
609.24542	3.5
632.14581	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	609.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42172	1.7
55.87200	2.4
56.22073	1.8
57.03457	2.0
59.01382	25.5
61.23395	1.7
61.98840	15.1
69.03426	2.2
69.32507	12.4
71.01385	8.2
73.02956	5.0
83.01406	5.0
85.02968	4.5
87.00877	2.5
89.02457	3.8
93.03481	3.7
94.28780	2.3
94.49569	2.3
101.02494	5.9
113.02467	3.5
121.02969	6.3
131.79099	1.9
135.04532	4.0
137.09767	2.4
149.02454	28.3
149.75862	1.8
152.01180	8.5
153.05620	2.4
153.26196	2.0
161.04520	2.7
163.04019	5.8
164.04826	17.4
165.01982	3.6
169.04991	4.7
179.07159	8.9
179.10883	3.2
181.08722	5.7
188.76924	1.9
191.22263	2.0
193.01421	18.1
197.11812	7.2
203.10773	2.4
208.03784	45.0
209.04422	3.8
223.06142	100.0
223.09764	7.6
224.06531	3.8
241.10913	5.1
265.10828	3.5
285.04175	12.8
297.99188	2.0
385.15247	14.1
447.09570	2.2
505.33969	7.4
523.35126	3.3
609.22577	11.6
609.31201	3.0
610.21472	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87233	1.1
55.01888	6.0
57.03431	2.9
57.05468	1.0
58.95869	1.0
59.01387	56.8
60.31124	0.9
61.98832	5.3
68.99790	1.5
69.03460	1.2
71.01391	26.4
71.05013	0.9
72.99287	2.1
73.02954	8.1
75.00509	1.1
75.00883	16.6
83.01376	4.3
85.02576	0.9
85.02962	10.3
87.00867	4.0
87.04504	1.5
88.98788	1.4
89.02454	16.6
91.01918	1.7
95.01398	3.1
99.00894	100.0
100.01234	1.5
101.01924	1.1
101.02463	14.8
109.02971	1.2
109.06638	1.0
111.00873	1.7
113.01888	0.9
113.02472	11.1
113.99567	4.3
115.00362	3.4
117.01915	4.2
119.03489	3.4
126.75389	1.3
127.00295	1.3
127.11311	1.0
131.03448	1.9
133.02895	1.7
135.00844	3.7
135.03018	53.8
136.03340	1.3
137.02458	1.2
137.22617	0.9
145.01398	1.6
149.02402	1.3
149.04500	1.1
151.00395	1.1
153.01904	4.3
153.46889	1.0
157.01480	1.7
161.04529	3.2
169.01476	1.1
175.42961	1.0
179.05626	1.8
189.14951	2.9
191.05521	3.0
193.05048	1.1
208.03879	1.7
223.06084	1.7
268.49246	1.1
277.05673	5.2
284.03281	4.9
285.04086	24.9
286.04208	3.1
289.16479	4.5
337.07782	6.4
339.07071	3.2
361.29495	1.4
447.09317	7.2
447.22113	5.8
473.27725	1.1
491.28696	29.4
492.28763	4.1
505.33856	11.3
506.33676	1.9
523.34503	4.5
549.27271	1.5
565.24414	2.1
565.35339	1.9
567.29919	1.5
609.14948	3.5
609.23560	54.1
609.32263	11.0
610.23840	7.4
610.32520	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	609.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03451	1.4
58.00570	2.1
59.01103	2.3
59.01384	41.4
61.01783	1.4
61.98820	2.9
66.09787	1.2
68.85184	1.4
69.03472	1.3
69.49518	6.6
71.01389	27.1
72.99317	1.8
73.02949	4.8
75.00861	4.4
83.01382	4.0
83.83496	1.4
85.02966	10.9
87.00869	2.6
89.02460	11.4
95.01393	3.0
97.02972	1.3
99.00887	4.9
100.65590	1.2
101.02448	16.2
113.02442	9.5
119.03541	3.8
121.02933	1.4
125.02453	2.0
135.03008	3.3
145.01384	2.0
151.00412	2.3
154.99883	1.3
161.04607	2.1
173.00864	1.5
178.47879	1.3
179.05501	1.3
192.31256	1.2
223.06018	1.6
241.81123	1.2
255.03030	2.8
283.02548	4.3
284.03149	5.4
285.04105	14.6
285.08945	1.3
285.20831	1.9
286.04315	2.8
413.25369	1.4
429.24863	1.8
431.26361	4.7
447.09393	5.4
447.26044	16.0
448.26526	1.5
449.27368	2.0
473.27258	1.7
491.28265	3.8
505.34088	12.8
506.33945	2.3
523.34491	2.4
609.31244	100.0
610.31921	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	609.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.2
57.03460	2.8
58.00590	1.5
59.01385	60.0
61.98834	11.4
68.99815	1.5
69.03430	1.5
69.50717	7.7
71.00997	2.1
71.01389	42.0
72.99295	3.0
73.02957	13.1
75.00887	7.8
83.01381	5.3
85.02965	17.1
87.00880	8.2
87.04488	2.1
88.39894	1.0
88.98803	2.6
89.01959	1.8
89.02454	24.0
95.01383	3.5
96.96019	1.6
97.02956	1.5
99.00893	100.0
100.01206	1.9
101.01823	2.0
101.02457	26.6
111.00864	2.0
113.02470	18.2
113.99554	4.2
115.00344	2.0
116.92877	1.6
117.01952	2.6
119.03526	6.8
121.02953	1.3
127.11215	1.5
129.01913	2.0
131.03487	6.7
133.03030	1.4
135.00903	1.4
135.02184	1.7
135.03027	18.4
135.04138	1.3
135.04492	1.6
141.09229	1.2
143.03493	4.0
145.01402	1.6
147.02962	1.7
149.02428	2.4
149.04579	7.3
151.00365	2.6
154.99818	2.1
161.04556	7.1
177.01874	4.2
179.05585	3.4
179.07047	1.5
189.14981	1.7
191.05667	6.2
197.79396	1.2
199.13312	1.9
208.03670	2.3
209.74727	1.2
223.06128	4.0
225.14888	2.2
277.05576	5.0
284.03415	7.0
285.04092	33.8
286.04404	2.3
287.15027	1.5
289.16531	3.2
322.68582	1.3
337.07739	5.2
361.29501	2.1
426.04453	1.3
447.09576	9.5
447.16208	1.6
447.22330	25.4
448.09549	2.3
448.22369	4.8
475.28494	1.4
491.28775	7.9
505.27213	1.7
505.33810	14.1
506.34225	2.8
523.34717	3.0
549.28345	2.0
565.24774	3.7
609.14282	4.3
609.23737	53.3
609.33301	5.0
610.15259	2.9
610.24347	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	609.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94785	1.4
57.03448	2.4
59.01387	100.0
59.15506	1.3
61.98837	7.9
63.61396	1.2
69.12621	11.5
71.01394	12.1
72.99307	1.3
73.02940	4.6
75.00882	2.1
80.96569	1.3
83.01398	1.6
85.02962	6.4
87.00899	1.3
89.02464	3.1
89.70105	1.4
90.54972	1.2
91.52707	1.5
99.00905	2.0
101.02454	7.2
101.26388	1.2
105.60419	1.5
113.02471	7.1
119.74055	1.3
125.46878	1.5
131.03551	1.7
143.03455	1.6
149.04602	5.3
161.04590	2.8
185.12065	1.4
193.20059	1.4
284.03336	5.1
285.04095	15.4
311.35742	1.7
343.52469	1.7
345.30035	4.1
447.09540	7.0
489.27768	2.7
489.34433	32.0
490.34741	4.3
507.35739	8.3
549.36755	3.1
609.14417	2.2
609.35144	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	609.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98830	2.0
70.62416	3.5
70.62748	1.9
71.01382	10.3
81.38047	1.5
85.02971	5.9
101.02488	5.5
113.02477	8.2
116.73910	1.7
143.03479	2.0
146.35458	1.8
161.04570	4.0
171.20465	1.6
204.07211	1.7
228.56415	1.7
345.30200	5.3
489.34402	51.8
490.34729	7.7
507.35440	21.9
508.36005	3.1
528.62402	1.8
549.36481	6.1
609.34753	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	10.6
61.98833	35.4
69.18311	8.2
69.18715	21.2
73.15062	3.1
75.49653	3.6
79.95770	5.4
95.05043	5.3
96.96030	23.9
105.37688	3.2
121.10231	21.6
125.09742	3.6
135.38240	3.1
153.51060	3.0
153.52284	3.6
162.83911	3.9
171.10304	74.2
172.10690	3.8
231.21201	4.5
275.20203	82.9
276.20544	8.9
278.11316	12.1
285.04147	12.2
293.21265	100.0
294.21625	6.2
315.19449	58.9
316.19925	5.6
359.18378	18.1
447.09586	4.5
464.58231	3.7
609.30884	17.3
609.41254	92.1
610.41742	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	611.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25664	21.3
52.15759	23.2
54.43906	21.4
55.58742	20.8
69.80892	100.0
69.81300	35.8
70.08546	22.3
70.15886	21.3
75.87063	24.7
78.95914	56.6
94.46111	22.5
96.60550	22.8
96.96040	38.6
98.21785	29.6
113.51510	26.5
124.22883	22.8
152.99652	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1626
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
51.01880	0.9
51.92333	1.0
57.03442	1.4
57.70667	1.0
59.01385	37.0
61.98845	1.2
63.02388	1.7
65.00330	13.5
65.58929	1.0
68.96437	10.5
71.01397	11.6
72.99315	1.2
73.02968	2.1
75.00858	1.6
79.84048	0.9
83.01404	10.0
85.02956	4.6
87.00891	5.4
89.02472	7.1
92.54393	0.9
99.00905	1.7
101.02472	6.5
107.01408	16.9
108.02197	2.2
111.00938	0.9
113.02469	4.3
119.03499	3.4
125.02481	5.8
127.00393	1.4
129.01964	1.6
132.87985	1.2
133.02957	1.3
134.03760	4.0
135.04541	80.8
136.01663	2.5
136.04868	2.9
145.01450	1.6
151.00381	91.2
152.00694	1.9
154.99916	5.0
159.04573	2.1
161.02486	2.2
161.04539	1.3
164.01166	3.3
165.01961	1.4
169.01385	1.1
174.03249	1.7
177.01959	2.3
177.05518	1.3
179.03592	2.3
196.00139	2.5
199.04073	1.5
201.01990	1.8
209.11818	1.5
225.14951	1.6
227.12912	8.4
243.06430	1.3
269.14105	2.2
285.04068	3.5
286.04523	2.1
287.05688	6.8
287.15005	11.6
288.15308	1.1
311.04984	1.1
344.97537	1.2
389.16364	1.7
405.17700	20.4
406.17886	2.0
431.09900	3.6
449.27396	1.4
459.14920	5.7
485.13022	1.7
536.08978	1.0
611.16193	100.0
611.24597	4.9
611.32867	5.3
612.16351	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	611.1624
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
51.74997	0.7
54.87350	0.6
56.93998	0.5
57.03413	0.6
59.01385	8.9
61.98823	2.9
63.02380	0.8
65.00331	7.6
66.17413	0.7
71.01375	3.8
72.99265	0.7
74.86716	0.6
81.03472	0.7
83.01382	4.2
85.02957	1.6
87.00891	1.7
89.02431	3.2
98.00043	0.7
99.04537	0.6
101.02452	2.1
107.01408	13.9
109.02970	2.6
113.02454	2.4
119.03515	1.6
125.02452	4.3
133.02982	0.9
134.03795	1.2
135.04541	69.1
136.04900	2.7
151.00385	100.0
152.00797	3.4
161.02480	1.3
165.01912	0.8
169.01424	0.8
175.00427	4.5
177.01917	1.0
179.05748	1.3
191.05635	0.7
193.01524	1.5
205.01500	0.8
206.85226	0.7
225.05598	0.6
227.12924	1.9
229.23177	0.8
269.04330	0.8
269.13910	2.3
285.04056	6.3
286.04449	5.0
287.05655	73.3
287.14740	3.5
288.06018	6.2
297.09668	1.1
311.05841	0.7
317.49762	0.8
364.09573	0.7
405.17590	0.7
431.19449	0.9
449.10910	60.0
450.11118	6.3
496.74051	0.7
497.43219	0.7
551.26300	0.9
611.15277	8.1
611.29785	3.1
612.15784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1625
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
54.00510	0.5
54.83141	0.5
59.01376	1.0
61.56328	0.4
61.98822	1.9
62.90418	0.4
63.02393	0.8
63.72857	0.4
63.80347	0.4
65.00331	6.7
71.01396	0.6
71.12819	0.4
73.86358	0.4
81.04936	0.4
83.01404	3.8
85.03017	0.5
89.02454	0.9
98.21818	1.2
101.02470	0.4
107.01407	12.1
109.02969	1.7
110.55409	0.4
113.02473	0.5
125.02457	4.4
131.01378	0.6
133.02945	0.4
134.03725	0.7
135.04541	55.6
136.04860	2.2
151.00386	100.0
152.00761	2.8
161.02481	1.3
165.01894	0.6
169.01437	0.8
175.00348	3.5
193.01486	0.9
194.54947	0.5
205.01567	0.4
269.04517	1.0
284.03290	0.8
285.04028	3.3
286.04233	2.3
287.05649	77.2
288.06000	5.3
329.06760	0.5
447.09381	0.7
448.09595	0.7
449.10876	64.6
450.11215	6.0
611.15771	1.3
611.28839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49682	1.1
55.97598	1.3
59.01378	5.5
61.98836	2.7
70.79914	1.1
70.80257	2.5
71.01385	5.5
75.01423	1.2
85.02955	2.1
89.02462	1.7
101.02456	4.5
109.02940	1.8
113.02473	1.8
137.02460	19.7
153.05618	1.6
162.03055	1.3
164.01170	1.6
165.01949	100.0
166.02309	3.7
170.90680	1.1
175.04031	9.9
177.05673	1.5
179.03520	14.6
180.04308	54.0
181.04778	2.6
190.06387	3.3
192.04396	1.2
194.05856	3.5
195.02921	2.6
195.06647	68.1
196.07016	4.1
207.06580	1.3
208.03748	2.4
210.05307	11.5
218.05901	3.9
222.05321	3.8
223.06119	3.3
225.07713	50.4
226.08017	2.0
253.04924	1.7
266.05838	2.7
278.05902	3.7
281.04526	2.4
281.07858	1.5
295.09720	1.7
297.07538	1.5
298.63254	1.3
306.05334	3.8
306.08737	1.2
307.06134	3.6
309.04193	2.5
309.07730	1.8
310.04849	2.2
321.07779	10.6
322.08362	4.6
323.09183	3.1
324.06366	4.0
324.10147	2.8
325.07263	9.2
326.07852	1.5
335.09253	1.8
336.10025	6.1
337.07190	8.4
337.10974	3.7
339.08737	8.6
340.09546	5.8
341.10339	1.7
352.09720	2.7
354.11215	5.2
355.11914	26.2
356.12137	3.0
367.11899	34.8
368.12137	3.1
370.34930	1.4
431.26593	2.9
503.13312	2.4
533.18231	15.0
534.18811	1.9
563.19305	21.9
564.19653	4.9
581.20154	10.0
582.20984	1.6
611.21271	12.7
611.31183	2.2
612.22485	1.9
612.33594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.6
56.99832	1.8
59.01385	89.9
61.98834	3.0
69.19029	14.5
71.01391	14.7
72.99306	2.3
73.02943	5.6
74.77386	1.8
75.00876	17.7
83.01395	11.1
87.00903	10.9
87.02423	2.3
89.02460	8.7
91.68378	1.7
99.00892	3.5
101.02453	8.0
111.00915	2.4
112.98849	5.7
113.02476	4.9
117.01952	5.0
127.00398	2.3
129.01988	2.2
135.03029	39.9
135.04552	7.0
143.35988	1.9
145.01477	7.9
151.00412	15.8
151.17526	1.9
154.99886	36.2
161.04643	2.6
179.05563	3.3
196.51010	1.7
207.13893	5.5
209.11848	8.8
221.06601	2.4
225.15057	10.8
227.12906	47.8
228.13205	3.8
243.12378	2.0
251.12881	4.3
269.14005	16.8
285.04105	2.4
286.04410	2.4
287.05899	8.3
287.15036	100.0
288.15366	5.9
329.16049	5.7
347.19833	2.0
379.16400	3.9
387.16925	4.3
405.17703	94.8
406.18121	11.1
413.18262	3.6
447.18848	7.9
449.10406	10.5
455.91388	1.8
493.23248	2.2
611.16290	2.3
611.25116	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	611.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	5.4
59.01385	100.0
59.75981	3.2
69.09816	29.8
71.01389	52.5
72.99296	5.9
73.02956	25.5
75.00902	3.4
83.01389	11.8
85.02961	16.7
87.00867	4.2
89.02463	22.1
95.24675	3.0
99.00924	4.2
101.02446	45.8
112.57912	3.4
113.02476	26.5
113.03139	4.6
117.07122	7.9
119.03509	9.5
119.05042	7.2
131.03548	4.2
135.08183	10.6
137.02452	9.2
143.03551	4.6
161.04544	8.7
165.01945	28.7
165.05460	3.7
169.00359	3.5
175.03941	5.5
179.03545	4.5
180.04291	17.2
195.06645	19.0
210.05350	5.4
225.07687	13.6
245.15538	5.4
253.38699	3.9
321.07819	4.4
340.09503	5.2
355.11856	5.9
367.11847	14.3
380.50671	4.1
386.14404	3.6
407.20721	21.3
421.21576	8.7
449.21790	5.4
563.19226	7.4
581.20398	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	612.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51254	0.2
54.59380	0.2
58.09479	0.2
59.01394	1.7
60.01735	0.4
61.98837	100.0
68.92096	0.2
69.88579	0.8
71.01386	1.6
72.99301	0.2
73.02962	0.3
85.02966	0.5
89.02459	1.3
101.02466	1.0
113.02484	0.5
119.03561	0.5
135.03075	0.3
135.04604	0.5
136.04945	0.2
151.00430	0.3
161.44196	0.2
179.05695	0.6
191.05704	0.7
209.04773	0.4
247.68616	0.2
287.05756	0.2
432.13733	0.2
449.14813	0.4
450.15256	0.8
551.27661	0.3
552.26825	1.0
612.29620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01378	2.7
61.98827	0.5
63.02399	1.0
65.00327	0.5
71.01379	0.6
73.02936	0.9
83.01388	0.7
95.01503	0.5
96.96025	8.8
96.96673	0.5
96.96964	0.7
99.04512	0.9
101.02421	0.4
107.01389	1.3
109.02998	0.4
117.03473	1.4
137.02484	1.6
149.02440	1.1
151.00407	1.0
152.04779	0.6
159.04555	0.9
161.02440	0.7
161.09737	0.5
163.07680	0.7
164.04774	0.4
179.03496	0.7
179.07062	0.7
181.08694	0.7
183.04576	0.5
184.03830	0.3
194.05849	1.0
196.05292	0.4
197.06116	0.4
197.11746	0.4
201.05446	0.3
209.08183	1.2
211.04012	0.5
212.04961	0.6
212.06883	2.8
213.07599	0.8
223.09854	0.4
225.05505	1.0
227.09320	3.9
239.03554	0.5
240.04274	1.0
241.10791	0.6
267.03085	0.6
268.03796	22.2
269.04565	100.0
270.04919	7.1
385.15134	0.6
413.08725	0.7
577.15686	61.4
578.16040	8.1
613.25049	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.3
60.99303	11.7
61.98838	59.9
62.06448	2.4
65.27441	2.1
71.01385	10.3
71.26789	3.3
73.02935	3.1
76.97670	2.5
85.02937	4.5
87.00902	2.3
88.13985	2.2
88.98819	100.0
89.02451	9.9
96.96026	4.7
101.02439	6.4
103.18289	2.2
109.93806	2.2
113.02522	3.1
119.03520	2.2
120.99678	5.2
121.02940	2.5
133.31004	2.6
148.90982	4.1
149.04521	2.9
150.03233	3.6
165.01971	3.0
165.05556	9.5
167.45197	2.1
179.05699	3.9
179.07205	3.8
191.05711	5.2
192.41853	2.4
195.06680	7.8
199.95879	2.6
209.08076	2.7
250.94205	3.8
337.11261	2.6
361.16534	3.3
405.15259	6.1
445.17709	2.3
451.25131	2.4
500.58426	2.4
575.27515	2.6
613.30524	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	613.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21469	1.1
53.29048	1.0
58.30486	1.0
59.01375	2.0
59.18443	1.2
61.98819	3.3
71.01388	1.6
85.42512	1.1
93.03465	4.5
109.02953	1.4
121.02991	5.7
122.03739	12.3
133.02991	2.4
136.01718	2.1
137.02435	2.3
142.12202	1.2
149.01276	1.8
149.02469	20.6
150.03256	86.7
151.00381	3.8
151.03688	3.1
164.04836	2.4
165.01945	6.1
165.05602	100.0
166.02739	11.7
166.05927	3.9
167.03487	1.2
180.04318	8.4
181.05084	12.2
181.19589	1.0
195.06650	65.0
196.06970	2.8
205.05032	1.8
224.68793	0.9
225.07718	2.8
225.50055	1.2
386.97556	1.2
387.10217	1.8
387.14664	8.5
402.12924	1.1
403.13647	1.1
417.15643	12.8
513.00995	1.2
565.20880	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	613.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.9
61.98830	4.5
66.56914	1.0
71.01393	7.1
71.27924	1.2
75.00880	1.2
84.74270	1.2
85.02962	1.3
88.63768	1.1
89.02477	2.3
93.03481	4.4
94.63425	1.0
95.05081	1.4
97.25793	1.1
99.00893	1.4
101.02480	2.9
109.02976	4.9
111.31663	1.2
113.02496	1.2
115.46101	1.0
119.03535	1.6
121.02982	7.8
122.03762	16.4
123.00898	1.1
123.04541	1.1
124.01673	1.1
127.46014	0.9
130.98721	1.0
133.02982	2.4
134.03758	1.1
135.03050	1.3
135.04562	1.7
136.01671	3.5
137.02472	12.8
145.01443	4.4
149.02458	28.0
150.03244	93.9
151.00424	7.6
151.03984	6.5
152.01123	2.0
152.04802	1.7
158.97318	1.0
161.02403	1.1
161.72852	1.3
162.03220	1.6
164.04837	3.7
165.01953	11.5
165.05579	100.0
166.02730	19.7
166.05919	3.5
167.03418	2.1
175.04022	2.7
177.01999	1.7
177.05602	1.1
179.03551	4.5
180.04305	13.6
181.05103	19.8
187.03978	3.1
190.02724	1.3
193.04991	1.2
195.06644	58.0
196.06969	3.3
205.05135	6.6
210.05432	2.0
213.00499	1.4
220.07402	3.2
225.07616	5.1
235.09764	2.2
252.81737	1.4
267.21570	1.1
285.04193	2.3
293.57925	1.1
305.81140	1.3
329.10266	3.4
339.08917	1.5
357.13480	1.8
387.10352	1.8
387.14944	10.5
402.13196	2.0
403.13840	2.8
417.15628	30.4
418.15671	2.4
517.15051	1.3
535.16461	1.5
535.19678	1.8
547.19348	2.1
550.18542	1.5
565.20813	49.2
566.21088	7.4
613.19763	2.1
613.33331	4.4
633.50690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01387	22.5
60.99304	1.7
61.98838	25.9
65.49560	0.6
71.01392	4.5
73.02961	3.9
76.10332	0.6
82.67629	0.6
83.01402	5.0
83.05023	0.7
85.02955	1.7
87.00879	1.1
88.98818	11.2
89.02444	2.0
97.02959	0.8
98.22171	6.2
99.04543	0.9
101.02448	3.9
109.06602	1.1
113.02473	2.0
114.18403	0.7
117.03506	0.6
119.03494	1.1
121.02962	3.0
121.06599	1.7
125.02493	0.9
133.10242	1.0
135.08176	1.6
137.09720	4.7
149.02458	36.8
150.03246	4.8
158.55287	0.7
161.04570	0.7
161.09721	3.4
163.07675	7.0
164.04814	68.3
165.05609	7.5
165.09253	1.0
179.07155	100.0
180.07529	4.3
181.08708	8.3
191.05632	0.8
195.10280	1.3
197.11867	6.3
203.10710	1.2
205.08739	1.2
213.07698	4.6
217.12419	0.8
219.10300	0.8
223.09776	9.4
227.09273	20.3
227.11481	1.0
228.09518	1.4
229.08694	0.9
229.78734	1.0
241.10841	8.1
247.09732	2.3
265.10776	4.1
269.04590	24.7
269.07523	1.3
270.04889	2.9
283.11810	2.3
285.04318	0.9
289.11081	0.8
307.11832	2.8
325.12939	4.1
385.15112	13.3
386.15512	1.0
397.44684	0.7
407.16995	0.7
515.20502	0.8
539.72247	0.7
577.15356	4.2
578.16510	1.4
613.25067	32.0
614.25531	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	613.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03444	2.3
59.01385	22.2
60.99314	1.5
61.98840	32.2
65.07391	0.7
71.01385	4.7
71.26835	0.8
73.02951	4.1
83.01390	6.0
83.05035	1.0
85.02969	1.8
87.00882	1.5
88.98814	13.0
89.02451	1.9
93.03475	0.6
95.05022	0.8
96.91045	0.7
97.02956	1.1
99.04533	1.7
101.02451	4.0
109.06593	0.9
113.02451	2.4
113.06114	0.8
119.08668	1.1
121.02959	3.9
121.06615	1.2
125.06083	1.5
133.10281	0.8
135.04523	1.2
135.08174	2.0
137.06052	0.8
137.09753	4.6
149.02460	41.5
150.03276	4.5
159.04507	0.9
161.09729	3.5
163.07683	5.2
164.04813	67.9
165.05582	8.0
165.09161	0.9
179.07158	100.0
180.07547	5.5
181.05206	0.7
181.08711	8.0
182.09102	0.8
195.10303	1.4
197.11864	4.7
203.10876	1.3
205.08823	1.4
209.08351	0.8
213.07790	3.8
223.09790	11.1
227.05730	0.9
227.09268	19.1
228.09576	1.7
229.08812	1.0
241.10797	8.0
247.09813	2.0
265.10840	4.3
269.04556	20.1
270.04831	1.5
283.11880	2.5
289.10828	1.4
297.88834	0.7
307.11932	2.5
325.12991	5.3
385.15088	12.7
386.15482	1.3
396.12100	0.7
407.16327	0.9
453.48361	0.9
545.13995	0.8
577.15704	2.4
577.29236	0.9
613.25110	31.2
614.25403	4.3
625.82178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
56.32553	0.6
57.03454	1.3
58.00593	2.7
59.01385	60.3
61.98836	12.7
70.84646	1.6
71.01389	39.4
72.99319	3.4
73.02952	5.5
73.39108	0.6
75.00879	3.9
83.01410	3.5
84.69543	0.6
85.02969	10.2
87.00877	2.2
87.04499	0.6
89.02455	37.4
95.01388	2.5
99.00845	1.0
101.02454	26.1
113.02457	14.3
115.70473	0.6
118.17783	0.5
119.03516	15.4
125.02428	0.8
131.03526	2.5
135.03020	9.6
135.04547	1.5
143.03516	2.2
144.92545	0.6
146.79211	0.7
147.11841	0.9
149.04549	1.8
151.00383	1.5
152.00714	1.1
161.04643	3.5
161.05751	0.6
179.05637	8.0
226.65388	0.7
252.45042	0.7
267.86261	0.6
285.03952	0.6
286.04175	1.1
288.05481	1.0
289.05804	0.8
289.20193	3.0
290.06543	0.6
396.12494	0.7
433.24606	2.3
440.76016	0.7
450.10599	1.3
451.10788	1.9
451.18997	1.2
451.25482	16.1
452.25888	1.6
613.30817	100.0
614.31171	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	613.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42048	0.6
51.69131	0.6
54.93915	0.5
55.01877	2.1
57.03450	1.4
58.00592	2.3
59.01385	58.8
60.01710	0.7
61.98840	4.0
65.59029	0.7
69.76373	2.7
71.01389	39.9
72.59741	0.5
72.99333	2.9
73.02962	6.2
75.00870	1.0
83.01414	3.1
83.39913	0.6
84.19955	0.6
85.02965	11.2
87.00903	3.1
87.04495	0.6
89.02455	40.3
93.03459	0.6
95.01393	3.2
97.02970	1.3
97.23615	0.6
99.00911	1.9
100.68478	0.6
101.02454	24.5
103.04091	0.6
111.00880	0.8
113.01654	0.7
113.02459	14.2
119.03513	16.3
121.02991	0.9
125.02464	1.0
131.03551	1.7
131.70776	0.5
135.02979	0.7
135.04541	1.2
139.00429	1.4
141.58177	0.5
143.03548	2.3
149.04535	0.9
150.47783	0.6
151.00359	1.3
153.01964	0.6
157.94031	0.7
161.04587	3.7
165.01843	0.6
179.05635	8.0
191.05637	1.8
207.06750	0.7
209.04576	1.1
211.62425	0.6
221.06728	1.1
236.97754	0.7
289.20300	2.1
347.11359	1.0
361.12997	1.2
433.24445	3.3
451.11819	0.7
451.25616	16.2
467.42862	0.7
495.24628	0.8
531.66699	0.6
571.29376	0.6
583.20044	1.4
613.30829	100.0
614.31097	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	614.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66770	0.5
52.88646	0.6
55.86157	0.5
57.83493	0.5
59.01371	1.0
61.98835	100.0
69.15475	1.7
69.15894	2.6
113.02542	0.6
115.95830	0.5
133.03021	0.9
151.00404	0.8
165.01974	1.6
180.04318	1.5
195.06671	1.5
225.07750	1.1
255.03014	20.1
256.03882	2.4
283.02509	23.9
284.03296	7.1
285.04062	11.4
286.77219	0.5
441.80261	0.5
531.79401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57606	1.1
59.01368	3.2
61.98836	59.5
68.27671	1.0
70.79091	3.5
77.39128	1.1
83.01377	1.7
91.33450	1.3
103.84400	1.1
107.01395	3.1
133.02975	4.5
137.02490	1.3
137.12386	1.2
151.00383	3.6
153.01965	1.8
165.01968	6.9
168.04337	1.5
175.04070	1.7
180.04269	5.1
183.04503	1.7
185.02400	1.3
195.06648	5.3
199.03995	1.3
225.07677	7.5
227.03549	2.7
255.03012	88.5
255.77431	1.2
256.03656	15.0
283.02521	100.0
284.03220	33.3
285.04074	50.2
286.04514	1.8
592.46124	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	37.4
61.98842	17.6
71.01389	26.3
71.26423	2.1
72.99289	2.8
73.02946	20.8
82.95420	1.6
83.01405	12.3
85.02950	5.1
87.00872	7.5
89.02465	7.7
93.03461	2.2
96.96018	15.3
97.36820	1.9
98.95590	6.9
99.00911	8.0
99.04523	6.4
99.92589	34.5
100.01666	4.0
100.92531	2.0
100.93391	2.3
101.02459	21.1
108.92202	1.5
111.00914	12.9
113.02472	8.3
113.99603	43.0
115.00387	18.4
115.91250	1.7
115.92091	52.4
116.92155	4.1
116.92873	72.7
117.92910	4.5
119.03490	4.6
128.01186	4.5
133.02962	2.1
134.03725	2.3
135.04503	2.1
139.00409	3.2
141.93643	4.0
143.03532	3.0
149.02437	4.6
149.04565	3.5
156.00668	50.7
157.01324	4.7
161.02422	3.4
161.04530	7.8
164.04813	6.4
174.01701	100.0
175.02382	5.7
179.03506	2.3
179.05663	2.8
179.07162	8.4
182.97566	2.7
184.95424	2.8
191.05620	2.8
193.04991	2.0
195.06616	2.4
197.92348	1.7
226.96489	7.4
242.96010	5.1
243.12386	2.4
259.17029	6.7
259.96371	2.1
268.03815	3.7
269.04553	23.7
270.04913	3.3
271.05103	1.7
278.98141	1.9
287.16531	4.5
323.07568	2.2
387.00296	2.6
423.02084	2.2
511.21924	11.4
577.15784	9.8
578.15955	2.2
579.08124	4.1
597.10260	1.8
615.10193	22.8
615.26190	3.6
616.10437	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	617.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01711	1.3
61.98832	4.8
71.25702	1.6
90.97147	1.2
106.75555	0.9
115.02577	5.9
117.00468	6.3
132.98204	4.4
150.94853	1.0
157.03635	1.4
157.83441	0.8
159.01518	52.0
160.01625	5.2
161.01289	3.7
174.99258	31.5
175.99660	1.1
178.43828	0.8
187.01022	6.2
188.01003	2.2
189.00714	5.3
189.98587	1.2
192.95853	7.2
201.02582	13.4
202.02669	1.2
202.98795	1.6
203.02356	1.7
217.00323	75.1
218.00667	1.3
218.98174	1.5
232.98361	2.2
241.00655	0.8
248.96085	0.9
256.86627	0.9
259.01614	1.0
274.99313	5.7
290.97318	3.3
298.99411	1.6
301.02676	19.1
302.02902	3.4
317.00443	55.5
318.00693	3.3
330.02216	1.3
331.01920	4.9
332.02118	1.8
332.98196	16.3
333.01849	1.9
348.96222	1.2
359.01694	4.2
374.99313	26.9
375.99527	1.3
397.40121	0.8
459.01724	4.0
474.99344	24.5
475.99805	2.3
514.97083	1.6
555.00604	1.0
556.98315	30.7
557.98694	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	617.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03484	4.5
57.69144	3.0
58.00581	3.7
59.01388	100.0
61.42619	2.7
61.98853	4.9
64.58408	3.2
65.03959	3.0
71.01391	80.9
71.27799	3.2
72.99294	5.5
73.02949	16.5
83.01392	7.2
85.02978	18.3
85.06624	3.2
87.00870	7.5
89.02455	89.8
89.03976	9.1
95.01393	6.4
95.05067	3.5
96.96009	10.6
97.02976	4.5
101.02451	70.6
103.57971	3.2
113.02473	33.8
115.92080	3.8
116.92855	4.2
119.03515	45.6
119.05008	3.2
125.02444	16.9
131.03526	12.5
135.02989	3.2
135.04567	3.6
141.43021	2.9
143.03517	13.0
143.07121	4.1
149.04514	4.3
159.08154	7.0
161.04579	29.5
179.05646	73.5
181.05000	4.9
185.09766	3.7
215.10861	5.2
221.06691	27.8
224.14993	3.5
233.11766	3.8
263.07751	5.8
269.04523	7.4
270.04831	6.9
271.05289	5.7
284.03302	6.4
285.04077	18.9
323.09988	19.4
381.17044	3.2
395.20587	4.5
413.21948	4.3
440.71167	3.2
489.10461	16.5
509.34497	3.3
514.11627	3.2
535.32642	12.5
535.95990	3.6
575.27094	7.2
579.16278	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	617.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00620	4.4
59.01382	100.0
61.98824	22.0
71.01390	72.1
71.26900	5.9
72.99300	10.7
73.02949	14.2
73.46265	3.0
76.95993	4.0
82.95393	4.2
83.01393	5.3
85.02944	23.3
87.00901	9.1
89.02451	60.5
93.03490	3.8
95.01388	6.7
96.96033	14.6
99.00875	4.1
99.04571	4.3
101.02457	45.6
113.02451	34.9
116.92849	4.6
119.03516	32.2
123.00905	3.8
125.02455	4.9
125.06104	5.3
131.03554	3.9
135.03041	5.2
143.03516	10.4
149.02437	5.1
150.03233	12.0
161.02443	4.2
161.04607	9.9
163.03932	4.0
165.05548	11.6
179.05621	17.0
179.07043	3.9
184.15242	4.0
190.99890	5.0
191.05594	7.1
195.06625	9.8
215.10794	5.0
221.04625	6.6
221.06702	5.5
233.11919	4.6
262.80194	3.5
305.12485	68.2
328.09518	4.2
377.16095	25.2
395.17316	4.9
401.16165	4.5
521.18750	4.4
557.25336	6.9
575.27191	8.3
617.28644	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	617.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74665	1.9
59.01387	100.0
61.98840	3.0
68.80994	1.9
75.00884	10.3
90.93576	1.9
93.46331	1.9
94.82661	1.8
95.51703	1.8
96.50092	1.9
96.96052	5.4
103.00388	8.7
103.01509	63.0
119.53265	2.0
146.89609	2.2
163.51207	2.2
180.71581	1.8
205.94531	1.9
244.69250	1.8
277.21841	2.1
455.26160	2.3
636.17639	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	617.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
63.34449	1.8
70.98629	2.1
75.00883	9.0
79.15311	2.0
83.01431	2.5
84.47654	1.8
88.98820	2.6
96.95984	2.5
97.41823	1.9
103.00401	6.2
103.01511	68.0
103.04052	5.1
170.26903	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	618.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02696	21.3
56.70841	20.7
59.01368	33.0
61.98823	100.0
70.96272	21.1
95.76372	21.1
97.22251	25.5
97.71413	22.3
103.01504	31.3
133.63841	22.9
476.27121	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	619.1674
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.65539	0.7
59.01387	5.3
60.34690	0.7
60.99259	0.7
63.02405	2.0
65.00323	1.2
66.95400	0.7
71.01375	2.8
71.26101	1.2
73.02941	1.3
75.00870	1.3
77.84043	0.8
79.67503	0.7
79.74401	0.7
80.29291	0.6
83.01379	1.5
85.02942	2.6
87.00886	0.8
89.02435	2.8
101.02428	1.7
107.01400	1.9
108.99139	0.8
113.02444	2.3
117.03460	3.8
120.73161	0.8
131.03458	1.0
135.03018	3.5
151.00375	2.1
159.04538	1.1
161.02530	0.9
169.06601	0.8
183.04485	1.1
212.05006	0.9
224.04683	0.9
225.05693	0.9
227.03214	0.8
238.26797	0.8
239.03516	1.4
240.04320	1.8
247.86981	0.7
252.07037	0.8
267.03116	0.9
268.03790	22.5
269.04565	100.0
270.04898	7.5
321.52856	0.8
323.09811	1.9
331.85211	0.9
338.08536	0.8
348.78476	0.7
421.21472	1.5
538.25433	1.0
577.15515	2.1
578.15411	1.2
619.16718	51.3
620.17194	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	619.1673
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.45750	0.3
55.01865	1.3
57.03436	1.3
58.00588	0.6
58.69134	0.3
59.01385	37.0
60.01735	0.3
61.98817	1.1
63.02400	1.8
65.00321	0.8
69.03444	0.5
69.15025	0.4
69.89941	0.9
69.90336	0.7
71.01389	23.4
72.01730	0.5
72.19275	0.3
72.99306	1.2
73.02579	0.5
73.02950	6.1
75.00887	1.6
79.81273	0.3
81.03438	0.8
83.01395	3.3
83.05063	0.4
85.02962	7.8
87.00886	1.9
87.04508	0.9
88.98804	0.7
89.02454	14.5
89.34859	0.3
93.03440	0.4
95.01405	2.3
96.95989	0.6
97.02960	0.5
97.73356	0.3
99.00887	2.0
99.04530	0.7
101.02456	12.1
107.01389	2.1
111.00892	0.9
112.98787	0.4
113.02461	13.4
114.02821	0.4
116.92860	1.0
117.03482	3.7
117.53246	0.3
119.03518	5.6
121.47700	0.3
124.01711	0.6
125.02453	1.8
129.01987	0.8
131.03496	1.0
135.03015	4.1
135.04558	0.5
135.75732	0.4
136.29385	0.3
138.24400	0.3
139.07658	0.3
143.03528	2.7
149.02428	0.8
149.04558	0.6
150.03165	0.5
151.00368	1.8
154.99950	0.4
159.03134	0.6
159.04504	1.1
161.02473	0.7
161.04576	5.2
169.06561	0.4
171.04431	0.4
179.05611	3.3
183.04544	0.9
191.05621	0.4
195.04523	0.4
195.13820	0.3
196.05232	0.5
197.06042	0.9
198.77562	0.3
201.05571	0.5
211.04039	0.6
225.05563	1.0
227.03546	0.6
239.03558	1.2
240.04344	1.9
245.20949	0.4
253.18100	0.3
267.03040	0.7
268.03787	21.8
269.04562	100.0
270.04941	7.6
272.10046	0.4
285.04092	0.7
287.14883	0.3
335.62344	0.3
397.22244	1.5
405.15424	0.3
415.23334	2.5
455.09940	0.6
473.10864	0.6
502.26584	0.7
511.24951	0.4
559.14630	0.6
559.27655	18.7
560.27740	1.7
577.15869	2.9
577.28705	17.0
578.28967	1.5
619.16742	45.3
620.16986	7.3
620.27307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2568
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.36364	5.7
54.16920	5.6
56.00394	6.7
60.62001	6.2
71.26160	6.1
71.26650	10.4
155.88095	6.3
233.48563	6.9
319.62729	8.9
416.16568	19.3
459.18365	100.0
473.19827	12.3
518.19904	35.7
532.21472	7.8
533.21802	53.3
534.22400	11.4
619.25415	33.3
620.25629	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	619.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
57.03442	2.1
58.00580	2.0
59.01386	100.0
60.01702	1.7
61.98819	6.1
69.05630	13.3
69.39994	1.2
71.01392	57.9
72.99306	3.3
73.02960	13.2
75.00882	2.3
81.09008	1.3
83.01405	4.3
85.02956	17.6
85.11542	1.4
87.00894	5.8
89.02457	43.4
95.01385	4.7
95.15025	1.4
96.96039	2.7
99.00886	2.3
101.02454	30.5
106.49786	1.2
113.02468	31.3
119.03518	18.1
121.03055	1.3
125.02422	2.1
131.03497	5.0
134.03752	7.8
135.03026	1.6
143.03500	4.7
149.02490	3.3
149.04681	1.6
149.06084	8.9
150.03191	5.7
151.00935	1.4
161.04578	16.7
164.04727	1.6
165.02028	2.5
165.04382	1.4
165.05537	7.4
179.03386	1.6
179.04015	1.6
179.05666	19.4
179.07167	3.6
180.04271	2.4
191.05579	3.0
195.06630	7.9
197.08286	2.1
279.27820	1.4
343.11798	1.5
373.12924	4.0
375.14249	2.2
409.95151	1.2
465.95190	1.3
478.24005	1.8
499.45804	1.4
515.25000	19.4
533.25818	10.5
559.27606	3.7
575.26898	2.3
577.28339	2.6
598.87256	1.4
619.16559	3.1
619.26105	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	619.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03450	2.0
58.00587	4.5
59.01384	100.0
61.02218	1.6
61.98842	13.7
71.01391	64.0
71.26606	2.0
72.99293	2.6
73.02960	11.2
74.00780	1.8
78.95904	5.8
83.01408	7.2
85.02956	23.2
87.00884	6.7
88.98833	1.7
89.01884	2.5
89.02456	51.5
95.01408	4.6
96.96033	13.7
96.96968	7.2
99.00865	2.2
99.04530	2.2
101.02450	34.9
101.51966	1.6
108.02177	1.7
113.02464	36.0
113.49812	1.6
115.92118	1.8
116.92906	1.8
119.03522	27.0
119.04915	1.8
125.02457	1.9
129.01945	1.7
131.03502	4.1
134.03609	1.9
135.04521	2.3
143.03540	8.9
145.05084	2.7
147.02946	2.3
147.04494	1.6
149.02513	2.5
149.04561	4.0
150.03180	2.7
161.02467	2.0
161.04564	13.6
165.05566	2.6
179.03569	1.7
179.03984	2.0
179.05600	16.9
181.05174	2.1
191.01918	3.9
191.05569	3.0
217.32986	1.8
223.06192	1.6
266.46271	1.9
272.26544	1.5
314.48779	1.6
397.18771	4.0
457.12628	2.1
515.25043	25.7
516.25330	2.8
533.26227	14.9
559.26941	3.7
575.27325	1.8
577.29095	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	620.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01956	1.7
57.03288	0.9
57.03541	1.6
58.00430	0.9
58.00697	2.0
59.01482	46.4
61.98939	3.0
71.01061	5.5
71.01499	32.7
71.28279	0.7
71.28764	0.8
72.99435	3.4
73.03069	6.7
75.00536	1.2
75.01003	10.9
81.03608	3.6
83.01525	4.8
83.04613	2.2
83.05169	15.2
85.02542	1.4
85.03094	10.6
86.24326	0.7
87.01039	3.1
89.01980	2.9
89.02598	25.5
90.22633	0.6
95.01557	2.9
96.08298	0.8
96.96154	2.1
99.01050	2.2
101.01874	2.5
101.02607	24.7
109.06738	1.1
109.84063	0.8
110.02164	0.8
111.00955	0.8
112.98955	0.7
113.02626	13.7
114.09367	0.8
115.07793	1.6
117.02087	0.9
117.97456	1.0
119.03686	9.7
125.02582	1.6
127.04130	1.1
135.01530	1.1
135.03192	29.2
136.03552	0.8
137.09859	1.0
139.07668	30.2
139.11400	1.1
140.08116	0.8
140.10927	0.8
143.03600	1.3
156.10329	3.4
157.08792	1.1
158.11893	7.7
159.03133	1.3
161.02644	0.8
161.04750	2.5
162.13014	1.4
179.05605	3.9
180.13919	3.4
181.12367	13.9
183.10432	1.8
189.02151	2.0
199.13625	1.2
206.12112	2.6
224.12939	8.6
237.18666	0.7
242.14130	1.0
295.02603	1.0
304.19232	0.9
320.17276	1.1
372.24884	1.5
404.19293	9.5
413.07333	0.8
417.25113	0.9
435.58850	0.8
440.30225	2.3
459.07449	0.9
476.21286	0.8
484.25433	1.2
502.26639	100.0
503.26892	13.1
559.11322	1.5
561.29120	4.3
562.24292	0.9
568.58234	0.7
571.61603	0.8
578.28870	1.9
579.30493	4.8
620.29059	61.3
621.28839	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	621.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
58.00607	1.1
59.01389	34.3
61.98827	1.5
67.01916	1.4
69.03431	1.2
69.46172	5.4
71.01395	19.7
72.85139	0.8
72.99327	1.0
73.02947	5.2
75.00886	2.1
81.03451	1.0
83.01405	3.9
85.02960	8.8
86.03381	0.8
87.00903	3.6
88.68125	0.9
88.98814	1.8
89.02457	12.1
93.03459	1.0
95.01422	3.9
95.57471	0.8
101.02452	10.7
101.38100	0.7
109.02966	3.2
111.00915	1.7
112.98887	1.2
113.02463	9.8
113.75443	0.8
119.03525	4.8
121.03011	1.0
123.00912	1.5
125.02472	1.6
129.01956	1.9
135.03021	1.5
137.02463	10.6
141.40347	0.8
143.03529	2.0
147.03094	1.2
149.02495	1.9
151.00391	19.6
151.04060	2.2
152.01108	1.5
152.04799	2.5
154.99899	1.1
159.03058	1.1
159.04565	0.9
161.04572	5.0
165.01868	0.9
166.02737	63.5
167.03235	3.9
175.04016	0.8
177.01965	2.6
179.05693	1.5
181.05090	76.1
182.05421	2.6
184.03766	1.4
190.06361	1.5
191.03584	1.3
191.05589	1.0
192.04361	1.3
193.05026	1.1
205.05124	1.2
205.08762	1.5
207.06734	1.0
211.07727	1.0
236.46750	0.8
277.05435	1.0
285.04031	2.7
337.07483	1.2
356.12115	1.0
359.11340	1.9
387.10907	18.2
388.11496	1.3
399.23868	1.7
402.13232	6.6
417.15616	100.0
417.24921	3.2
418.15927	8.6
459.07022	0.9
519.47699	0.9
531.27655	1.0
533.16132	1.0
561.29205	18.9
562.29358	2.5
579.30249	15.2
580.30536	1.9
621.18030	1.6
621.29224	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	621.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92599	0.4
55.01873	0.8
57.03451	0.8
58.00605	0.4
59.01387	31.3
60.01714	0.5
61.98822	1.5
62.34478	0.4
71.01389	11.4
71.28664	0.7
72.74081	0.4
72.99308	4.0
73.02953	2.9
75.00881	31.0
83.01389	2.5
83.05050	1.6
85.02968	5.2
87.00892	1.9
87.04542	0.6
89.02454	11.6
94.74203	0.4
95.01389	0.9
96.95992	0.6
99.00894	1.7
99.04540	0.5
101.02451	7.4
113.02471	4.9
117.01938	1.9
119.03527	2.9
125.02466	1.2
131.03508	0.4
135.03014	100.0
136.03374	2.2
139.07675	1.3
139.11316	0.7
143.03555	0.9
145.01451	0.7
147.02965	0.5
151.00459	0.5
159.02983	0.6
161.04524	2.5
165.12912	0.5
165.77728	0.4
179.05627	1.3
181.12457	0.7
185.73862	0.4
191.05637	1.7
201.11327	0.4
206.09204	0.4
212.76733	0.4
229.10670	0.4
253.05092	10.6
254.05455	1.3
269.65903	0.4
283.02405	0.5
285.04077	1.3
399.23898	2.7
400.24088	0.5
417.24756	3.7
429.06317	2.3
430.06351	0.5
459.26077	1.1
502.26697	1.2
503.26886	4.9
561.29126	1.8
579.30298	6.6
621.29413	6.3
622.30603	0.6
622.41266	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	621.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
59.01384	12.8
60.01750	0.2
68.96732	2.2
71.01388	3.1
72.99315	3.1
73.02958	0.6
75.00880	28.0
76.01223	0.2
80.86013	0.2
83.01424	0.3
83.05022	0.4
85.02983	1.2
87.00884	0.5
89.02457	6.1
96.96032	0.3
99.00890	0.5
101.02452	1.5
113.02454	0.8
113.03172	0.2
117.01980	1.8
119.03510	0.6
124.06734	0.2
135.03014	100.0
136.03348	1.8
161.04556	0.2
191.05516	0.2
192.46426	0.2
203.66144	0.2
239.30560	0.2
260.76459	0.2
285.03928	0.4
399.23743	1.5
417.24969	1.0
429.06088	0.2
459.26169	0.6
502.26273	0.3
503.26633	0.6
534.15295	0.2
548.81006	0.2
621.27527	3.1
622.28119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
58.00606	0.4
59.01386	15.5
59.81209	0.2
62.86111	0.2
71.01385	4.6
72.99312	2.6
73.02949	0.9
75.00880	25.7
76.01228	0.3
83.01410	0.3
85.02946	1.6
87.00881	0.5
87.04561	0.3
89.02459	6.7
95.01390	0.3
98.22577	0.9
99.00869	0.4
101.02464	1.9
110.34680	0.2
113.02470	2.1
117.01963	1.9
119.03525	0.9
124.01688	0.2
125.02494	0.4
131.03426	0.2
135.03014	100.0
136.03354	2.0
143.03505	0.4
157.18147	0.2
159.02943	0.2
161.04575	0.8
162.52527	0.2
179.05656	0.7
197.57307	0.2
202.10652	0.2
234.71083	0.2
255.19614	0.3
259.08728	0.2
275.06671	0.2
377.52829	0.2
392.46637	0.2
399.23846	2.2
417.25049	1.0
459.26212	0.5
517.26337	0.3
561.29108	1.6
579.30212	2.6
621.27618	1.9
622.27618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23862	0.1
55.01881	0.4
58.00601	0.3
59.01384	18.7
60.01728	0.2
61.01782	0.1
61.98829	0.2
65.75858	0.1
71.01387	5.9
71.43884	0.1
72.99313	2.7
73.02959	1.3
75.00880	30.7
76.01199	0.2
82.06283	0.1
83.01385	0.7
85.02956	1.8
85.82069	0.2
87.00900	0.9
87.04508	0.3
89.02454	7.9
95.01392	0.5
97.02979	0.3
99.00899	0.7
101.02444	2.7
111.00902	0.2
113.02471	2.3
117.01959	2.2
119.03503	0.9
125.02472	0.3
131.03459	0.2
135.03012	100.0
135.98306	0.2
136.03345	1.9
143.03511	0.3
151.22552	0.1
159.03014	0.3
161.04622	1.0
179.05620	1.0
186.50510	0.2
203.02002	0.2
221.06657	0.3
250.72623	0.1
263.07611	0.2
399.23840	2.1
417.24857	1.1
459.26013	0.5
517.26624	0.3
535.27057	0.3
561.29132	1.3
562.29230	0.3
569.69037	0.2
579.30225	3.0
580.31287	0.2
621.27301	1.8
622.28143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03453	4.3
58.00597	2.4
59.01383	100.0
60.01744	0.9
61.98847	1.0
64.01766	0.5
69.03461	1.3
69.44530	2.1
69.44938	1.3
71.01388	58.7
72.01746	1.3
72.99314	4.2
73.02954	13.1
73.03334	1.0
75.00880	13.9
81.03502	0.7
82.52107	0.5
83.01398	6.6
85.00089	0.5
85.02959	25.7
86.00150	0.7
86.03302	0.6
87.00896	5.6
87.04545	1.5
89.02455	35.2
90.02814	0.7
95.01400	6.0
96.96007	0.7
97.02981	2.2
98.66435	0.5
99.00895	5.3
101.02452	33.7
101.06101	0.9
111.00916	1.6
112.01709	0.9
113.02460	32.6
114.02810	0.7
115.04021	0.7
117.01957	0.6
119.03521	12.5
124.01681	1.1
125.02465	5.4
127.00466	0.5
129.02005	1.8
131.03568	1.6
135.03011	41.7
136.02222	0.5
136.03322	1.1
143.03519	6.2
152.04573	0.6
155.44936	0.7
159.03070	1.9
161.04584	12.9
179.05644	5.5
207.80585	0.5
329.13968	1.1
342.24957	0.6
365.73254	0.7
399.15967	0.6
399.23871	9.7
399.28543	0.7
400.24512	1.0
417.24963	13.1
417.30402	0.8
418.25366	0.9
459.26312	1.4
497.28232	0.6
531.28430	0.7
533.91846	0.5
557.12262	0.6
561.29181	70.8
562.29510	9.0
579.30255	62.3
580.30701	7.5
580.39325	0.6
621.30920	4.4
649.23523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98317	0.7
55.01888	5.5
57.03465	5.0
57.91559	0.7
58.00602	3.1
59.01386	100.0
59.29456	0.8
60.01746	1.0
61.98857	0.8
67.01904	0.8
69.29971	5.5
71.01390	68.1
72.98904	0.7
72.99316	2.4
73.01850	0.8
73.02956	15.3
75.00871	2.6
78.69324	0.9
83.01398	8.4
85.02962	27.5
86.08121	0.8
87.00894	7.3
87.01376	1.0
87.04540	1.9
89.02455	32.1
93.19398	0.7
95.01410	5.4
97.02975	2.2
99.00905	5.2
101.02457	35.6
103.41607	0.7
111.00916	2.5
112.98862	0.9
113.02462	30.7
114.02802	0.9
115.00336	0.9
119.03514	11.1
124.01679	1.1
125.02489	3.9
129.01965	2.7
129.22768	0.8
130.38870	0.8
131.03537	1.9
135.03053	1.0
135.98409	1.7
143.03520	5.1
151.00339	0.8
159.03021	2.6
161.04544	10.9
179.05702	3.3
191.05618	1.5
193.48508	1.0
227.13072	0.9
282.81866	0.9
285.03882	1.2
385.07233	1.7
399.23889	13.5
400.24411	1.0
417.25052	12.5
459.07147	1.7
461.36200	0.8
561.29193	96.0
562.29688	10.8
579.30267	75.1
579.39807	1.6
580.30798	9.4
609.89960	0.8
621.31470	12.9
634.76764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	12.1
58.09008	1.3
59.01392	8.3
59.41089	1.1
61.98827	2.2
67.31454	1.3
69.30367	3.5
69.30781	4.3
70.02631	1.2
70.02973	6.2
71.01385	5.7
72.00918	3.7
75.00869	3.6
85.02938	4.2
87.00886	5.1
87.43768	1.2
88.66299	1.1
89.02428	3.4
91.05560	3.8
95.01375	1.2
96.96029	3.7
99.00867	1.9
101.02418	2.5
111.00910	4.0
113.02457	5.0
119.03526	1.3
121.02985	9.7
125.02491	1.3
135.03008	3.0
147.04532	23.3
164.07178	61.3
165.07446	2.8
173.04533	1.4
191.05646	3.4
206.08241	100.0
207.08536	4.5
225.93719	1.3
249.06152	3.8
357.10031	1.5
371.09869	15.9
387.10938	1.9
425.39456	1.1
505.20132	1.5
622.71094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
61.98516	0.7
61.98839	14.4
69.07813	0.5
69.08128	4.2
71.01380	2.2
73.02975	0.5
81.03500	0.4
83.01405	0.6
84.21343	0.4
85.02979	1.0
87.00874	0.7
88.98827	0.8
89.02439	1.3
93.03454	0.4
96.95995	0.8
98.95592	0.6
101.02465	1.1
107.52787	0.4
109.02951	1.0
113.02451	0.9
115.92072	0.7
119.03555	0.6
119.04933	0.5
137.02444	4.1
139.00368	0.8
145.02995	2.1
147.04521	2.3
150.03203	0.5
151.04010	4.1
152.04808	0.9
153.01993	1.0
160.01656	0.6
161.02461	0.7
162.03242	0.8
163.04060	4.7
165.02000	1.0
165.05612	0.8
166.02679	0.9
173.02390	0.9
173.06111	0.5
174.03230	3.8
175.04028	15.6
176.04831	4.2
177.05571	2.0
179.03551	1.4
179.05663	0.8
179.07071	0.4
180.04298	10.2
181.04956	1.4
184.03636	0.4
188.04807	2.8
189.05589	7.5
190.06375	18.6
191.05479	0.9
191.07155	12.2
192.04391	0.9
192.07518	0.6
193.05080	10.6
194.05858	8.2
195.06374	0.5
198.05244	0.4
203.07176	1.8
205.08730	15.3
206.09021	0.6
207.06618	7.5
208.07387	7.8
209.04718	0.6
209.07831	0.7
222.08939	0.7
223.09717	0.6
271.02399	0.5
284.03433	0.7
299.05743	0.9
315.05215	1.0
359.11154	1.0
369.13327	1.2
374.13626	2.5
389.16101	100.0
390.16422	10.5
390.21222	0.8
418.38470	0.4
419.17206	2.9
443.23315	0.5
505.26465	0.9
578.38849	0.6
623.16083	1.1
623.26123	1.5
623.41095	0.7
624.15619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
57.73807	0.8
59.01385	13.6
61.98841	12.8
63.02409	2.1
65.00340	2.3
71.01391	6.9
71.04044	0.8
72.99303	1.9
73.02954	2.6
75.00882	22.7
80.23174	0.7
83.01408	3.1
85.02954	3.3
87.00893	3.6
89.02463	3.5
96.96055	1.0
98.21749	2.2
99.00895	2.5
101.02470	4.7
105.03488	1.1
107.01378	2.5
111.00851	1.2
113.02489	2.6
118.98043	1.1
119.03506	1.3
129.01981	7.0
133.02982	6.6
134.03743	1.2
135.03059	4.3
135.04549	20.1
136.04877	1.2
143.03581	0.9
145.01476	1.2
149.02473	0.9
151.00368	5.7
158.54619	0.8
161.04613	0.9
165.04057	45.3
166.04446	1.5
179.03555	1.0
183.04565	2.6
185.02550	0.9
193.05121	2.6
199.04012	1.0
204.00691	0.9
211.04166	0.9
213.01797	0.9
227.03415	1.1
227.12939	1.1
242.02078	1.0
255.03018	100.0
256.03549	10.2
283.02512	94.0
284.03107	16.6
285.04071	22.7
286.04376	1.6
293.04633	3.0
296.03204	1.2
297.04022	1.2
307.06363	1.0
309.04037	1.1
319.06198	7.0
321.04102	1.4
323.05609	1.7
335.05664	2.4
341.09195	0.9
347.05573	1.4
359.05569	1.3
363.05011	3.6
371.05478	1.1
372.06216	2.2
388.05899	2.7
391.04611	19.0
392.04950	1.8
397.04709	0.9
401.06805	1.4
404.26566	0.9
416.05350	5.9
417.05765	1.6
418.06714	4.8
419.07654	7.3
433.09314	7.6
444.04883	13.4
445.05325	1.2
447.09109	1.5
459.07266	65.8
460.07593	6.7
463.10370	1.7
468.59872	1.0
489.08398	2.3
553.09808	2.5
565.32428	1.9
625.15009	1.0
625.34717	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.8
57.66390	0.2
59.01385	4.3
61.98837	1.1
65.36033	0.3
67.01891	0.4
70.40238	0.8
71.01389	3.7
72.99315	2.7
74.53044	0.3
75.00881	39.9
76.01224	0.5
81.70663	0.3
83.01439	0.3
85.02961	1.7
87.00887	2.4
89.02475	1.0
99.00896	1.8
101.02454	0.9
107.01408	0.5
113.02438	0.3
119.03560	0.3
121.56763	0.3
129.01964	13.9
130.02263	0.3
133.02982	0.9
134.03780	0.7
137.02457	0.4
147.02980	1.6
151.00392	1.0
160.01660	0.9
161.02441	0.4
164.36542	0.2
165.04062	100.0
166.04398	1.9
175.04044	0.8
193.05096	0.8
199.03981	0.3
199.24146	0.3
255.02983	4.5
256.03726	2.8
257.03922	0.3
283.02502	4.0
284.03302	7.3
285.04062	10.8
286.04398	0.6
341.08804	0.5
433.03415	0.6
433.09341	10.1
434.09738	1.6
434.15033	0.3
444.04874	0.6
445.09256	0.9
446.08545	0.3
459.07257	3.6
460.07520	0.6
477.08374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1414
Annotation	Quercetin 3-galactosyl-(1->4)-galactoside
Peak:m/z	Relative Intensity
52.62497	0.7
59.01381	5.6
60.99314	1.0
61.98822	2.2
65.00341	1.6
68.31693	0.6
69.45646	3.4
71.01381	3.1
71.97566	0.6
74.99107	1.6
77.32625	0.7
83.01390	1.3
87.00900	1.3
88.98827	7.0
89.02432	3.4
94.27073	0.9
96.96027	1.4
98.21758	1.1
101.02458	1.5
107.01404	3.6
118.98103	3.9
121.02989	5.2
123.00887	1.4
123.04551	1.0
125.02456	4.9
135.04514	0.7
137.19563	0.7
139.00365	1.6
145.01433	1.1
147.00919	1.7
147.04544	1.0
148.01698	1.8
149.02475	8.0
149.04507	0.8
151.00381	14.1
153.01970	1.3
153.05617	1.0
159.04561	0.9
161.02472	1.3
165.01982	0.9
165.05560	2.5
171.04474	0.9
175.00356	2.1
175.04027	0.9
176.01099	0.7
177.05713	0.8
183.04572	0.8
187.04018	1.0
191.03548	3.6
191.05313	0.9
199.04077	0.8
209.04555	2.9
215.03450	2.1
223.04495	1.2
227.03526	1.2
233.04625	2.4
241.05090	0.9
243.03030	2.9
255.02890	1.5
256.03720	1.2
257.04630	1.5
259.02536	1.0
271.02499	5.4
283.02570	2.2
297.04153	0.9
299.01941	8.3
299.04688	1.3
300.02765	15.6
301.03577	68.4
302.03998	4.0
313.03503	0.9
315.08969	1.6
327.08667	1.5
329.03308	0.9
343.04773	1.5
347.11246	1.5
377.12543	2.3
462.08066	8.2
463.08875	100.0
464.09308	11.2
482.27112	0.8
625.14093	12.7
625.25232	2.1
626.14203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35157	1.1
57.03447	1.7
59.01390	12.7
61.98830	2.6
69.22026	10.4
70.41325	1.2
71.01386	17.4
72.99306	1.5
73.02970	1.5
75.00874	1.4
78.91922	1.4
81.95151	1.2
83.01388	1.8
84.92370	1.1
85.02975	3.2
85.29736	1.1
87.00888	33.1
87.35587	1.4
89.02448	1.6
97.02994	1.7
101.02499	2.4
109.02979	3.5
111.00917	1.7
115.00392	55.3
118.98159	1.8
121.02978	2.7
123.04554	3.4
125.02480	13.8
135.03081	1.8
135.04587	1.6
137.02470	8.4
139.04070	2.1
148.01711	4.0
149.02478	6.1
151.00424	3.1
151.04057	3.4
160.01775	2.6
161.02469	4.9
163.00464	2.6
164.01178	15.7
165.01956	22.9
165.05573	1.4
167.03490	2.1
175.02513	100.0
176.02884	2.8
177.01927	10.9
178.02769	2.7
179.03531	3.1
193.01396	2.1
195.03091	3.4
202.99910	2.3
204.00668	5.0
205.01512	2.9
270.09714	2.5
283.06192	1.9
286.04935	1.9
287.05664	10.5
289.07294	1.7
293.12619	2.4
299.05673	1.6
301.07349	1.8
325.10806	3.8
327.05206	8.1
345.06302	2.9
438.16248	1.3
449.10916	24.2
450.11224	1.8
451.13113	1.6
489.10382	23.0
490.10989	1.9
505.10281	2.0
505.17215	1.9
507.11514	6.7
643.28241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09661	0.5
51.14930	0.4
58.29552	0.5
59.01366	0.7
61.98821	2.2
65.00338	0.7
70.78429	1.1
71.01408	0.6
71.12857	0.5
80.08344	0.5
83.01406	0.7
89.02429	0.9
96.96033	0.5
107.01406	1.6
109.02921	1.3
120.01273	4.2
121.03025	1.2
133.02940	0.8
151.00383	7.9
161.02455	0.6
163.00374	0.9
165.05580	1.5
171.04553	0.6
175.00366	0.6
175.04001	0.8
178.99898	1.9
187.03993	1.0
199.04012	3.4
215.03490	1.2
226.02708	1.6
227.03488	3.5
242.02336	0.7
243.03038	4.0
255.03000	1.9
271.02515	53.8
272.02930	3.5
273.04080	0.8
283.02319	0.5
299.02011	100.0
300.02597	16.4
301.03564	45.8
301.07190	0.6
302.03998	3.7
313.03418	1.1
343.04446	1.0
454.49496	0.5
462.08057	22.9
463.08865	36.0
464.09052	4.4
505.10266	1.2
561.71149	0.5
625.14191	76.0
626.14435	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	625.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
60.55582	1.0
61.98834	3.5
65.00330	1.2
66.75801	1.1
71.01380	2.9
73.02972	1.8
78.19151	0.9
85.02955	1.7
89.02445	1.5
95.08644	1.1
98.22557	5.0
101.02422	1.3
113.02471	1.7
113.91706	1.2
126.86511	1.2
133.02988	1.6
147.94746	1.1
151.00362	1.6
175.04095	1.4
179.07112	1.4
183.04500	1.5
227.03592	1.3
230.38910	1.2
230.41054	1.4
255.02995	89.0
256.03491	11.0
281.04675	1.2
283.02499	100.0
284.03238	37.1
285.04056	48.2
286.04419	3.3
296.03333	3.5
297.03995	2.5
313.03677	4.6
325.03452	2.1
327.05130	2.1
365.30298	1.2
367.04672	1.4
433.09308	3.7
445.08249	10.8
446.08582	62.5
447.09238	25.3
448.09595	1.8
463.10492	6.2
498.25546	1.3
625.15912	11.7
625.37891	2.1
626.16858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66924	0.4
59.01386	100.0
59.75158	0.4
60.01706	0.6
60.10066	0.4
61.98846	1.0
62.57741	0.4
65.19263	0.4
71.01395	2.1
71.26498	0.7
71.38021	0.5
72.99306	0.4
75.00872	0.7
85.02979	0.8
87.00881	0.5
89.02464	1.0
96.96032	0.6
101.02489	1.0
113.02470	0.7
145.26364	0.6
149.02480	2.1
151.04010	2.4
161.02457	8.1
161.04570	1.0
164.04842	2.6
176.04788	6.6
178.02721	1.7
179.03511	16.8
179.07082	5.6
180.04083	1.1
186.90533	0.5
191.07196	4.4
193.05049	8.8
194.05858	21.0
195.06554	1.2
201.11369	0.8
207.06813	0.5
209.08206	71.5
210.08554	3.9
212.60594	0.5
252.67316	0.5
265.79761	0.4
275.64365	0.5
322.51550	0.5
373.12900	1.9
385.12994	1.2
403.14069	2.3
507.28030	1.5
625.31403	2.9
626.30914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61683	1.1
57.03455	1.2
59.01389	12.5
61.98827	7.7
69.03454	1.3
69.04631	8.5
69.83640	1.1
71.01389	9.0
71.76821	1.1
72.99307	1.6
73.02944	3.1
75.00879	16.2
81.03446	1.3
83.01391	2.6
85.02952	8.5
85.15865	0.9
87.00866	1.2
89.02429	2.6
95.01385	3.5
96.96002	1.1
98.11581	1.0
99.00917	2.3
101.02458	4.6
107.01398	1.3
108.02184	62.0
109.02981	30.0
113.02432	3.6
116.92865	7.9
121.02969	2.1
123.00914	2.6
123.04532	1.6
129.01941	4.0
132.04489	1.1
133.02954	2.3
135.03001	2.4
135.04547	2.2
147.02933	1.8
151.00369	2.8
152.01169	60.8
153.01988	16.4
161.04510	1.3
163.04010	2.2
165.04053	29.4
166.04361	1.5
171.10289	1.1
175.04114	1.4
211.13373	4.0
229.14545	3.5
255.02983	3.4
256.03662	1.6
283.02466	4.7
284.03171	8.7
285.04050	22.5
286.04465	2.6
327.21738	7.2
346.20547	1.0
395.21561	1.2
409.95502	1.1
433.09308	14.4
434.09735	1.4
446.08807	1.3
447.09351	1.6
535.67664	1.1
625.28674	100.0
626.29047	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	626.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92854	2.0
65.26355	1.6
65.28663	2.1
70.43771	4.2
70.44106	2.2
71.01401	2.2
83.22095	1.9
89.02449	2.8
96.96011	1.7
101.37603	1.8
108.02151	2.0
108.88243	1.8
109.02966	2.3
120.01286	11.1
121.02941	1.9
125.02482	2.0
143.04961	1.8
145.02985	3.8
147.04556	4.9
147.33919	2.2
153.01923	2.2
154.83566	1.9
158.03748	16.5
159.04553	2.9
165.05540	7.3
176.04785	3.4
207.06587	2.6
235.07779	2.1
252.07806	2.0
254.09489	5.1
263.07266	2.3
268.07413	4.5
279.06506	3.7
280.07446	24.1
281.07990	5.7
282.09000	6.3
283.09805	9.2
291.06598	4.5
292.07404	3.9
293.08136	8.4
294.08911	16.9
295.09766	38.6
296.10095	2.6
298.08273	2.1
309.07712	16.2
310.08469	33.5
311.08798	3.0
313.10843	22.8
325.10837	100.0
326.11209	8.4
343.11874	12.4
356.87692	2.1
475.16174	19.4
487.16034	19.4
488.16446	2.7
498.07251	2.0
505.17300	58.9
506.17615	7.5
567.26416	3.6
626.18829	5.0
633.02362	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00212	1.6
54.86155	1.8
57.03443	2.6
59.01386	22.0
61.98829	5.7
69.03472	2.4
69.78725	8.4
71.01391	18.5
72.99290	4.5
73.02957	4.9
75.00860	3.5
78.11545	1.7
83.01373	6.5
85.02968	9.1
87.00885	34.0
89.02456	11.8
93.03445	1.9
96.18792	1.7
96.96022	4.1
97.02966	2.1
99.00907	5.2
101.02464	12.4
108.22796	1.6
109.02954	3.0
110.00137	1.7
111.00893	32.0
112.98806	3.8
113.02458	5.5
117.26169	2.0
119.03530	6.2
119.05029	4.2
124.60152	1.8
125.02459	8.8
129.01993	3.4
130.02724	2.2
131.03506	4.1
135.03043	9.9
137.02475	15.0
149.02431	4.3
149.40862	1.7
151.00392	4.6
151.03984	3.2
153.02000	4.1
161.02428	5.9
161.04584	2.8
162.03195	2.1
163.04097	10.5
164.01183	2.6
164.04865	9.5
165.01945	100.0
166.02605	7.7
174.01675	1.7
176.04863	2.6
177.01907	2.2
177.05695	3.0
178.02748	1.8
179.03514	26.7
179.05606	5.8
179.06995	12.5
180.04301	63.3
181.05074	13.4
191.02005	2.1
194.05885	10.7
195.02995	2.5
195.06653	76.2
196.07007	4.8
199.03943	2.5
205.05058	2.7
209.08237	9.8
210.05386	11.1
211.06107	3.6
217.05246	2.2
219.06586	3.4
225.07709	36.6
234.05310	2.8
249.04218	3.5
249.07635	5.4
264.06577	8.8
265.07144	9.8
275.05914	2.0
279.08817	2.4
291.08893	2.0
303.05145	3.0
303.14398	2.5
309.10056	2.2
323.13663	3.6
337.09311	11.4
437.11267	2.6
443.13370	3.7
465.10425	6.5
491.15637	66.4
492.15903	7.5
535.18085	3.6
551.17456	3.1
567.26697	8.3
609.17993	7.3
627.19293	88.3
628.19489	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	627.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.9
59.01384	35.4
61.98829	4.1
65.03950	1.5
70.38286	1.3
70.38629	3.6
71.01369	3.3
86.34760	1.1
87.00871	2.4
88.98797	4.2
89.02482	1.6
91.01897	27.5
96.96039	1.7
108.02166	1.8
109.02959	28.0
112.98813	2.3
120.01266	13.4
121.02998	2.3
122.89264	1.2
125.02409	6.6
133.02957	1.7
133.50032	1.1
134.03755	1.1
135.00896	100.0
136.01222	3.2
137.02432	3.1
147.04532	1.1
149.02461	1.9
149.06142	1.5
150.03151	1.2
151.00343	2.8
153.01952	97.9
154.02286	2.5
161.04575	1.5
163.04056	2.0
165.01904	6.3
165.05589	2.0
175.03995	2.2
177.01958	2.8
178.99792	1.9
179.03535	1.7
180.04326	3.7
191.03551	1.6
191.05501	1.1
193.05008	1.3
195.06622	4.8
210.05138	1.7
219.02863	1.4
223.06259	1.2
225.07767	2.4
243.06645	9.3
285.04019	3.7
297.06161	57.7
298.06403	4.6
303.05093	4.7
337.09290	1.4
344.12109	1.6
405.11932	61.1
406.12012	5.9
465.10312	1.6
627.18390	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	627.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	13.5
59.24522	1.2
61.98824	1.8
67.16393	1.1
69.27840	1.6
69.28245	6.4
71.01396	6.7
83.01396	2.1
85.02966	2.8
87.00890	3.6
89.02465	4.0
91.01898	12.0
96.96040	3.9
99.04560	1.2
101.02455	5.2
108.02185	13.7
109.02972	4.0
113.02476	3.2
119.03559	1.9
121.19356	1.1
123.00915	5.3
135.00908	11.6
137.02457	3.2
152.01173	14.7
153.01950	4.0
161.04539	2.3
191.05652	2.4
243.06638	100.0
244.04723	1.1
244.06886	6.4
275.28415	1.1
285.04031	3.5
297.06198	2.3
390.54199	1.1
405.11954	60.3
406.12326	4.9
502.43497	1.1
627.32050	4.2
631.86292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2106
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
50.09391	0.3
54.85385	0.4
59.01377	0.6
61.98843	2.2
64.80147	0.4
69.13992	2.2
69.14402	0.9
71.57925	0.4
73.02947	1.3
89.70451	0.4
90.55228	0.3
96.96021	1.1
139.38254	0.4
276.53159	0.4
313.03839	0.4
390.92343	0.4
431.69559	0.5
437.12714	0.8
438.13129	1.5
451.14316	1.6
452.15054	5.1
453.15427	0.7
465.15714	1.2
466.16647	1.0
469.11612	0.7
479.17371	1.2
480.14590	1.1
481.15097	9.7
482.15747	1.8
484.14297	0.7
493.15265	1.8
494.16013	0.6
495.16821	20.2
496.17221	3.8
502.14792	0.5
507.16760	1.1
508.18307	2.5
509.18390	1.9
512.13654	1.3
521.14819	1.3
522.15399	0.5
523.16730	1.4
525.15057	0.5
526.14911	1.4
533.18182	0.8
535.16406	2.5
536.16962	3.5
537.17633	0.8
539.15479	0.8
540.17133	3.5
541.16736	0.5
551.19403	44.2
552.19739	10.1
553.17267	0.7
554.18848	0.7
555.18738	1.6
567.18927	0.5
568.15546	0.8
572.15778	3.2
573.16180	0.8
583.22461	0.6
586.17242	2.7
587.17877	0.7
595.18488	9.5
596.18622	1.9
627.21021	100.0
628.21320	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31575	1.3
59.01386	64.6
60.01728	1.2
61.98818	2.9
68.99778	1.7
69.50793	7.5
71.01391	9.0
73.02938	1.6
75.00877	3.5
81.57525	1.1
83.01418	1.2
85.02953	2.9
87.00910	1.7
89.02459	6.0
99.00941	1.6
99.04501	1.4
101.02464	5.7
105.99626	1.2
112.75857	1.2
113.02472	1.9
119.03544	1.5
125.02487	1.4
127.00433	1.3
129.01955	2.7
135.03035	7.8
145.01433	3.0
152.98413	1.5
157.01450	2.2
191.05563	1.9
207.13879	2.3
209.11819	6.3
219.18300	1.3
225.14983	3.7
227.12906	39.2
228.13286	2.6
251.12955	1.9
269.13931	8.9
270.14163	1.4
287.15042	50.8
288.15359	4.3
388.03229	1.4
405.17682	100.0
406.18024	10.9
602.80164	1.3
627.32391	14.9
628.32031	1.9
647.96674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	68.6
69.17191	8.8
70.35262	1.0
71.01380	0.9
73.53312	0.8
93.03503	1.2
116.50983	1.0
118.98093	0.9
121.02975	3.5
122.03764	5.6
141.09123	1.0
149.02452	22.3
150.03244	57.2
151.03836	1.8
153.01950	0.9
161.02475	5.6
163.07747	1.2
164.04834	7.6
165.05588	69.2
166.05937	2.0
176.04817	4.3
179.03481	10.2
180.04221	4.8
191.07086	1.6
191.85329	1.2
194.05865	13.1
195.06636	100.0
196.07002	4.8
209.08211	39.6
210.08525	1.9
221.96342	1.0
244.82442	1.1
297.06055	1.5
310.08508	1.2
342.11060	5.6
357.13461	47.4
358.13770	3.8
391.72455	1.2
405.15634	23.8
406.15918	2.2
515.50287	1.0
522.91968	1.1
584.34351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75698	1.8
55.01884	2.4
59.01388	100.0
59.31457	1.9
60.01693	2.1
61.98814	2.6
62.21775	1.7
62.24861	2.0
69.03419	3.0
71.01392	48.2
71.27024	1.9
71.27388	2.2
72.99303	3.3
73.02953	24.5
75.00877	4.5
78.90049	1.7
80.96519	2.2
83.01398	9.0
85.02965	9.6
87.00882	4.1
89.02452	31.2
95.01389	3.0
99.00903	2.2
101.02458	36.4
113.02473	19.1
119.03518	15.1
125.02470	2.4
131.03503	2.7
138.88422	1.7
143.03502	6.2
149.02438	2.2
149.04512	4.5
161.04620	9.8
164.04857	3.1
165.04057	8.8
178.36826	1.7
179.05658	4.5
191.05730	2.6
222.87511	1.9
223.06100	6.6
238.31392	2.1
259.74857	1.8
271.99292	2.4
285.03870	2.9
332.95844	2.2
379.17795	3.1
403.81262	2.0
421.18652	6.6
627.27185	2.0
627.33698	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	627.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.26605	3.0
61.98824	7.3
68.98325	33.3
69.03436	5.7
71.01392	66.6
72.79186	3.1
72.99310	3.3
73.02949	9.3
83.01392	6.4
85.02980	15.8
87.00896	5.7
89.02457	37.3
94.77745	3.3
95.01396	6.9
96.96004	5.5
97.02985	4.3
99.00896	7.0
101.02443	18.2
113.02464	31.0
117.07085	3.2
119.03514	14.7
125.02457	13.5
128.22897	3.0
131.03445	4.4
135.03024	5.3
143.03505	5.4
154.99767	3.8
155.03526	8.2
161.04477	5.6
179.05725	15.0
203.05611	24.6
204.53508	3.0
221.06664	6.7
255.02937	8.6
256.03461	7.9
257.03693	4.1
283.02640	3.9
284.03137	8.8
285.03925	16.3
286.04099	9.8
287.04510	3.9
448.09247	5.2
450.73666	3.7
590.81146	3.2
627.26117	6.2
627.38623	8.1
657.70081	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	627.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98835	55.1
71.01398	75.7
71.27767	6.1
72.01750	5.5
73.02948	17.8
75.00848	6.2
78.95914	12.0
85.02960	20.7
87.00878	11.9
89.02459	66.1
96.96962	5.1
101.02459	47.8
113.02445	27.3
119.03542	26.1
131.03505	14.8
139.02762	4.7
143.03537	11.5
149.04623	5.4
152.99609	13.1
153.01987	5.3
161.02406	5.0
161.04614	23.2
169.06284	5.8
173.15886	6.2
177.05658	9.0
179.05640	71.5
181.04982	5.7
221.06664	29.3
263.07800	6.7
627.27484	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	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75698	1.8
55.01884	2.4
59.01388	100.0
59.31457	1.9
60.01693	2.1
61.98814	2.6
62.21775	1.7
62.24861	2.0
69.03419	3.0
71.01392	48.2
71.27024	1.9
71.27388	2.2
72.99303	3.3
73.02953	24.5
75.00877	4.5
78.90049	1.7
80.96519	2.2
83.01398	9.0
85.02965	9.6
87.00882	4.1
89.02452	31.2
95.01389	3.0
99.00903	2.2
101.02458	36.4
113.02473	19.1
119.03518	15.1
125.02470	2.4
131.03503	2.7
138.88422	1.7
143.03502	6.2
149.02438	2.2
149.04512	4.5
161.04620	9.8
164.04857	3.1
165.04057	8.8
178.36826	1.7
179.05658	4.5
191.05730	2.6
222.87511	1.9
223.06100	6.6
238.31392	2.1
259.74857	1.8
271.99292	2.4
285.03870	2.9
332.95844	2.2
379.17795	3.1
403.81262	2.0
421.18652	6.6
627.27185	2.0
627.33698	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	627.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82830	1.8
55.01857	2.6
55.48959	2.0
57.03431	4.1
58.00591	2.0
59.01385	78.5
61.98823	5.8
65.13661	2.1
69.24311	11.8
69.24721	5.1
71.01389	54.1
72.99326	4.5
73.02955	7.9
75.00895	3.0
81.03474	2.9
83.01385	6.6
85.02958	26.0
87.00888	23.7
89.02452	55.6
95.01386	10.8
96.96007	2.6
99.00881	4.9
101.02460	35.0
109.02946	3.5
111.00919	13.6
113.02460	51.9
117.01906	2.1
119.03539	20.7
119.05053	6.5
125.02423	5.8
131.03560	3.6
135.03026	11.3
135.04543	2.6
137.02414	10.4
143.03490	6.8
149.02431	3.9
151.00363	2.8
153.01970	4.1
161.02457	2.1
161.04535	10.9
162.15834	2.0
163.04028	16.2
163.46815	1.9
164.04773	6.6
165.01938	53.1
165.05614	2.6
166.02556	3.5
177.05609	2.4
179.03461	15.6
179.05615	28.4
179.07133	8.1
180.04314	29.2
181.05023	7.0
191.05672	4.4
194.05829	5.8
195.06636	42.6
205.05215	3.2
209.08211	7.5
210.05356	8.7
211.06186	2.2
225.07654	16.3
243.12444	2.9
249.07669	4.7
264.06384	5.9
265.07159	5.4
291.08591	2.6
297.06143	4.1
303.14371	3.9
323.10028	3.0
323.13687	2.2
337.09283	5.9
405.21332	5.5
443.13412	3.7
491.15622	27.9
492.15872	4.7
519.19501	2.2
551.17798	3.7
567.26648	100.0
568.27258	13.8
609.18066	4.1
627.19019	44.3
628.19452	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	627.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29759	1.5
52.16818	1.4
57.03445	5.5
58.00588	3.1
59.01384	100.0
61.98822	2.2
65.76374	1.3
69.16287	12.6
71.01389	59.4
72.99299	5.9
83.01402	1.6
85.02970	10.5
87.00869	5.3
89.02454	85.2
90.02773	2.7
94.08090	1.4
95.01386	2.7
96.95985	2.8
101.02455	32.0
113.02464	26.6
119.03517	38.3
131.03500	4.0
143.03529	7.4
149.04564	3.5
149.09694	2.1
161.04587	10.1
179.05638	49.1
180.04271	1.4
185.16179	1.3
191.05676	1.4
253.57782	1.5
271.66669	1.6
297.65097	1.6
299.44601	2.0
405.21277	5.5
567.26593	31.3
568.26678	4.2
617.64087	1.6
627.22113	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	627.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
56.16803	0.9
57.03445	1.5
58.00586	2.0
59.01385	78.6
71.01389	39.8
72.99307	3.4
73.02953	8.7
75.00887	1.5
83.01381	4.8
85.02959	14.5
86.00089	1.7
87.00883	2.9
89.02458	21.1
95.01387	4.8
96.96012	1.0
99.00910	3.7
101.02452	30.6
113.02464	15.3
118.00467	0.9
119.03488	6.2
129.01971	1.2
129.09184	1.1
132.19380	1.0
134.92854	1.3
135.02985	1.4
161.04608	3.3
170.57933	1.0
227.12918	8.7
287.15048	10.1
288.15347	1.3
340.97324	1.1
356.25327	1.2
395.63388	1.1
405.17667	17.6
406.18451	2.6
447.26044	100.0
448.26437	12.1
509.29706	2.3
599.09515	1.0
627.32373	62.5
628.32861	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	629.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72795	0.4
58.66267	0.5
59.01376	2.6
61.98834	2.2
63.02415	0.9
65.00328	0.6
74.02475	0.4
74.93307	0.5
83.01399	1.2
99.42386	0.5
106.63529	0.4
107.01418	1.5
109.02957	0.6
118.93449	0.5
121.02953	0.6
133.02980	2.6
137.87634	0.5
149.02446	1.0
151.00372	3.3
165.01949	5.1
165.05669	0.6
175.04057	1.3
180.04276	4.3
181.08806	0.5
195.06648	8.6
197.11754	0.4
199.04028	2.1
206.72423	0.5
211.04039	0.5
212.04713	0.5
217.05014	1.0
227.03598	1.0
243.02925	0.6
243.08774	1.0
251.75638	0.4
255.03041	0.6
256.03784	2.8
269.04489	2.7
270.05103	0.5
283.02438	1.1
283.98767	0.7
284.03287	52.9
285.04062	81.8
286.04410	5.0
309.04321	0.7
327.05148	0.7
385.15201	0.8
429.08386	0.8
447.09323	2.7
452.22391	0.5
529.21869	0.5
593.15179	100.0
594.15564	12.8
594.30206	0.7
629.24438	3.4
642.43829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2251
Annotation	C16540
Peak:m/z	Relative Intensity
59.01378	17.5
61.98827	7.2
67.95744	6.6
69.01718	67.7
71.01389	13.5
87.00850	6.9
95.01391	9.3
96.96021	16.0
98.22475	14.7
101.02485	8.9
113.02473	9.5
121.02985	10.8
122.03736	10.5
123.00898	9.3
126.90437	13.4
137.02458	12.8
138.03230	16.0
139.00342	14.5
145.01340	6.4
146.93539	6.1
147.04544	7.4
149.02484	31.7
150.03247	83.3
151.00371	27.0
153.01929	7.6
159.04494	6.1
165.01895	11.8
165.04256	11.4
165.05565	62.1
166.02759	66.9
175.04114	8.3
177.01920	10.3
180.04337	10.2
181.05095	100.0
191.03525	12.2
192.04320	10.3
193.05070	8.5
195.06636	36.1
203.03572	35.1
207.06630	12.8
209.08176	8.5
211.06180	15.7
218.02504	6.4
218.05861	28.0
221.04620	8.4
225.07541	6.3
233.08215	38.5
235.06084	9.1
236.06908	29.0
251.09308	73.9
357.10373	7.1
372.98923	6.6
373.12787	12.1
403.13782	7.1
432.14429	8.8
433.15146	41.0
546.12451	7.4
581.20251	14.6
583.47437	7.0
629.21942	95.4
630.22858	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	629.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01389	20.2
60.13341	0.7
61.98830	3.2
64.68154	0.7
71.01395	3.6
71.13709	0.8
73.02953	1.8
76.55905	0.8
83.01392	3.6
83.05045	0.8
87.48405	0.6
87.75272	0.7
89.02473	0.7
92.34106	0.6
96.96030	1.4
97.02978	0.8
98.21757	1.7
98.22472	3.2
99.04514	1.1
101.02474	2.7
104.59047	0.6
105.03461	1.0
105.07311	0.7
109.03075	0.8
109.06627	0.8
113.02457	1.4
121.02957	0.8
122.03761	1.5
123.04568	0.8
125.02460	0.7
125.06057	0.8
133.03009	4.5
135.08234	0.8
137.02469	7.1
137.09743	2.6
141.05630	0.7
149.02412	3.6
150.03268	5.5
161.09779	1.6
163.04051	0.8
163.07698	3.6
164.04874	0.9
165.01955	57.3
165.05577	6.7
166.02649	3.2
177.02002	2.6
179.03563	1.0
179.10797	2.5
180.04306	38.1
181.05026	4.8
181.08759	5.2
191.05733	1.2
195.06653	100.0
196.07016	4.0
197.11868	3.0
205.08728	1.6
221.11885	0.8
223.09825	6.0
229.07069	2.0
241.10817	5.8
243.08777	8.1
247.09869	1.4
265.10837	3.5
269.04553	6.4
283.11920	1.6
289.10846	0.8
307.11786	0.8
314.73746	0.8
325.12973	2.1
344.12680	0.8
359.15054	5.7
367.14432	0.8
385.15118	9.6
386.15530	0.9
407.17099	3.4
629.24542	27.7
630.25006	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
60.61799	0.4
61.98839	100.0
71.01414	0.6
71.27177	0.6
71.27583	0.5
88.98819	0.5
89.02487	0.7
97.95261	0.4
113.02456	0.5
127.18502	0.4
136.58389	0.4
149.02463	0.4
150.03252	0.5
165.05621	0.8
166.05943	0.5
174.77522	0.4
180.05919	0.4
186.12335	0.4
191.05634	0.7
195.06636	0.5
196.07028	0.5
441.95316	0.4
594.29883	0.4
595.29956	0.5
601.42004	0.5
646.54901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	10.5
57.03452	1.5
58.00626	0.9
59.01386	45.5
60.78841	0.8
61.98841	1.8
68.99825	2.5
71.01395	12.3
71.27702	1.2
72.99325	2.5
73.02950	3.1
75.00880	1.6
83.01396	16.0
85.02962	2.8
87.00891	8.7
89.02457	5.6
93.03465	0.9
95.01432	1.4
96.96040	5.9
99.00893	3.8
101.02465	5.1
101.18471	1.0
109.02946	1.0
111.00879	4.1
112.98839	2.5
113.02460	4.4
115.00379	13.1
117.02000	1.9
119.03513	1.2
124.98873	1.3
125.02544	0.9
127.00340	4.1
129.01958	3.1
139.00446	4.8
141.01956	0.8
145.01456	3.6
148.63852	0.8
150.03224	1.2
154.99887	100.0
156.00293	3.0
157.01450	16.2
165.01996	1.4
165.05605	1.0
169.01479	1.1
173.00934	1.4
175.02498	13.6
179.05721	1.8
181.05136	1.9
185.00931	1.0
187.02478	2.6
191.05659	1.9
195.06636	2.7
206.04099	0.8
207.13869	2.4
209.11873	3.8
225.14990	3.8
227.12912	20.8
228.13251	1.4
251.12793	1.1
269.13843	5.9
284.32401	0.9
287.15048	46.7
288.15405	2.9
329.15982	1.6
362.49905	0.9
368.45004	0.9
421.02609	0.8
427.16129	1.4
434.82483	1.0
445.17197	32.5
446.17514	3.8
485.16577	1.9
511.66345	1.0
595.29913	11.5
596.30188	1.9
601.52612	0.9
631.27472	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	631.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66368	0.7
51.62013	0.7
51.67928	0.6
55.01884	10.5
57.03450	0.8
59.01385	39.9
61.37675	0.8
61.98834	0.8
65.06940	0.7
67.01885	1.1
68.99831	1.8
69.02161	7.4
71.01393	9.9
72.52179	0.6
73.02949	1.8
76.51805	0.6
80.94736	0.7
83.01398	16.8
85.02956	1.5
87.00889	8.5
89.02474	1.1
93.94579	0.8
96.96011	2.2
99.00891	2.4
99.04559	1.5
101.02457	2.1
111.00884	5.7
112.98835	2.7
113.02476	2.1
115.00394	11.5
117.01937	1.0
124.98833	1.7
125.02473	0.7
125.34846	0.7
125.47500	0.7
125.99599	0.8
127.00371	5.1
129.01955	2.6
139.00432	4.1
142.99873	1.5
145.01440	5.3
146.03793	1.2
152.98311	1.0
153.01961	0.7
154.99887	100.0
156.00224	3.1
157.01440	13.2
165.02031	1.6
165.12885	0.9
169.01454	1.3
170.99342	0.9
173.00906	1.6
175.02487	15.1
179.03468	0.9
179.07146	1.4
180.04352	1.1
182.65178	0.9
185.00940	1.0
187.02481	4.1
195.02913	0.7
195.06703	1.9
203.01993	0.8
207.13940	2.3
209.11859	3.0
225.07738	1.3
225.15025	4.2
227.12912	22.4
228.13210	2.3
251.12943	1.8
269.13931	4.5
287.15042	52.5
288.15378	5.6
306.43451	0.8
329.15994	2.0
372.74741	0.8
415.16586	1.1
421.31509	0.9
427.16504	1.1
445.17175	39.1
446.17474	4.6
463.45609	0.8
473.72769	0.7
485.16885	1.9
595.29254	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	631.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
59.01382	23.0
61.98822	2.6
68.99843	1.7
69.48609	10.1
70.75394	1.3
71.01387	23.3
72.99306	5.1
73.02971	3.2
75.00864	4.8
83.01382	4.1
83.05033	1.7
85.02956	4.4
87.00893	8.0
87.50674	1.5
89.02467	3.9
99.00897	15.0
99.02608	3.3
101.00544	4.8
101.02442	5.5
103.00357	1.7
111.00906	4.4
111.04554	2.5
112.98840	4.5
113.02467	3.0
115.00385	13.4
115.02125	2.7
117.01954	2.6
119.03515	3.4
134.41960	1.6
135.02997	3.5
143.01550	3.9
143.03537	1.5
145.01448	71.9
146.01753	2.3
154.99913	9.6
161.02647	5.9
175.02512	2.1
185.01114	1.6
191.05612	1.9
213.00423	9.8
219.65393	1.9
227.12939	2.9
245.57010	1.7
263.05768	2.2
284.03247	2.3
285.04007	8.0
287.15060	3.6
360.37021	1.7
411.14758	4.4
513.27118	3.0
631.20496	100.0
632.20886	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	633.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.9
61.98824	1.4
62.77803	1.1
69.34570	7.2
71.01392	5.0
73.03007	1.1
87.00900	1.2
89.02470	3.1
96.96024	31.2
98.22430	2.5
98.95619	19.6
98.96451	3.0
99.92597	29.8
100.92628	2.1
101.02470	1.6
112.14047	1.0
113.02462	1.8
115.02457	1.2
115.92091	21.7
116.92876	58.8
117.92908	2.2
119.03538	1.5
133.02988	1.2
134.34732	1.0
141.93709	1.2
142.59851	1.2
165.05618	1.5
170.93967	1.2
184.91783	1.2
215.95190	26.2
215.97169	1.7
216.95618	2.0
226.02692	1.5
226.96529	2.0
243.96869	3.2
244.97424	1.8
254.97479	1.4
255.03014	14.7
282.97128	2.2
283.02548	7.4
284.03214	3.9
285.04089	5.6
309.95789	2.2
310.96567	2.3
312.96686	4.6
337.95242	5.8
338.96021	21.2
339.96527	3.2
351.96918	1.6
354.95444	1.2
365.94574	2.8
366.95544	71.3
367.96265	64.5
368.96725	11.1
379.96310	12.8
380.97055	3.5
383.95804	1.4
384.96570	4.9
392.96899	1.2
393.97769	3.2
395.95819	100.0
396.96210	15.8
409.97430	9.2
410.98010	2.5
421.97278	3.9
435.11990	1.3
469.99713	1.1
489.10571	2.3
491.11414	1.8
492.62546	1.3
511.00143	2.5
512.00562	54.9
513.00830	8.3
528.00128	3.6
529.00714	4.3
547.01984	1.7
554.01807	3.9
571.01947	56.0
572.02026	9.5
589.02728	7.6
590.03882	1.5
596.99805	5.0
603.00824	1.7
615.00818	9.6
616.01215	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	633.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
59.01375	3.3
69.03464	2.2
69.16041	2.5
69.16467	3.2
71.01392	5.3
72.99316	19.6
73.02958	1.1
75.00867	5.1
81.03468	24.5
85.02967	3.7
87.00884	1.5
89.02458	2.1
96.96039	1.5
97.03004	1.1
98.22532	1.5
99.00890	14.5
101.02474	2.3
113.02450	6.6
117.01951	1.6
119.03535	0.8
125.02463	59.0
126.02795	2.0
129.01965	1.2
131.03474	2.2
134.03787	0.9
138.59792	0.7
140.44789	0.7
142.54042	0.8
143.03494	9.2
150.03201	0.8
151.00409	0.7
161.04565	5.0
169.01477	1.4
193.04927	1.0
196.05600	0.7
205.03552	100.0
206.03937	3.1
206.86458	0.8
227.87196	0.8
255.98006	0.9
284.47882	0.7
285.03894	1.3
405.72086	0.9
544.58002	0.8
595.16089	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49136	0.8
55.01886	0.9
59.01381	11.0
61.01023	1.3
71.01392	2.9
72.99309	3.2
73.02933	1.7
75.00883	3.4
75.02600	1.4
78.22375	0.6
83.01400	1.6
85.01033	1.2
85.02981	1.2
96.56024	0.7
99.00893	8.5
99.02602	2.5
101.00529	4.3
101.02473	1.1
103.00392	2.7
112.98835	5.0
114.98470	0.9
115.02077	1.2
117.01930	1.9
127.02065	0.7
135.03046	1.1
143.01604	3.6
145.01448	5.3
152.69704	0.7
154.99911	1.3
161.02657	4.3
169.01492	1.4
171.01025	1.3
175.04199	3.1
185.02628	0.8
209.11867	0.8
227.12967	1.4
231.03160	1.4
233.01166	0.9
245.04753	0.9
251.14798	1.7
252.18744	1.0
263.05814	3.3
295.13629	3.4
305.07184	1.2
340.53735	0.8
413.16296	5.2
515.19495	3.1
522.46356	0.7
591.21216	0.9
601.19006	0.9
632.37695	0.7
633.22168	100.0
634.22473	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	633.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35944	0.7
55.01875	2.5
59.01388	23.8
61.01045	0.8
61.98816	1.3
65.69823	0.7
66.47934	0.8
67.78947	0.7
68.99815	1.0
69.26077	5.8
70.90529	0.7
71.01395	10.1
72.99317	3.3
73.02957	4.2
75.00885	5.4
83.01398	4.6
85.01029	1.5
85.02963	2.2
87.00893	3.4
89.02476	2.4
99.00887	12.0
99.02616	1.0
99.04529	2.9
101.02459	3.4
103.00404	3.4
111.00881	2.4
112.98811	8.1
113.02469	1.4
115.00394	1.2
115.02063	1.0
117.01952	2.7
125.02468	1.1
127.00423	1.9
131.05226	0.8
134.21144	0.8
141.03674	0.8
142.99872	1.0
143.01628	3.0
143.03549	0.9
145.01440	8.2
154.99893	3.0
157.01505	1.5
157.03111	1.3
161.04558	1.4
171.01085	1.6
175.04164	1.9
188.81056	0.9
191.05652	1.6
207.13835	1.1
225.15166	1.1
227.12958	2.3
231.03194	3.2
245.04784	1.2
251.14655	2.2
263.05893	5.1
287.15094	1.3
287.85449	0.9
295.13660	5.7
303.98218	0.8
489.26984	0.9
515.19641	6.9
628.09088	0.9
633.22162	100.0
634.22455	13.1
649.32861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.6
59.01388	100.0
61.98817	3.9
66.41950	2.9
67.01894	11.5
68.48069	3.5
70.79021	4.0
70.79356	7.9
71.01392	71.5
72.99306	4.3
73.02965	7.0
82.95441	7.0
85.02956	18.0
87.00894	9.2
89.02454	68.2
93.03488	3.6
95.01433	4.0
96.96027	3.7
99.00902	4.9
101.02456	35.5
109.02959	3.6
113.02469	26.0
119.03526	27.2
121.02989	6.6
123.04500	4.2
125.06098	4.9
131.03516	6.0
134.03778	8.5
143.03433	4.2
161.04573	4.6
179.05692	8.3
185.30217	3.5
191.05667	11.4
193.05095	17.6
193.08696	4.4
213.09254	6.0
246.53662	3.4
249.14857	6.8
305.12454	59.1
305.15677	5.9
306.12930	3.7
337.13037	11.5
393.15686	5.3
411.16415	6.2
460.08835	4.8
641.18665	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	635.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01376	5.2
61.98818	1.2
71.01384	3.2
71.41715	0.4
72.99306	0.6
73.02945	0.8
75.00883	2.8
80.82705	0.4
82.02973	1.1
84.22709	0.5
85.02959	6.8
85.07079	0.4
87.00866	3.1
88.98805	0.6
89.02483	2.5
93.03456	3.6
96.96010	1.9
98.21714	0.8
101.02460	1.5
109.02958	1.2
111.04561	0.7
113.02446	2.0
117.01995	0.8
119.05033	3.3
127.04017	2.0
131.03574	0.6
131.07147	1.1
133.02992	0.5
134.03760	5.2
135.03014	8.0
135.04539	2.0
136.07761	0.5
137.02429	0.8
147.03027	0.7
149.06125	2.2
161.02446	1.4
161.04541	0.7
163.04004	5.6
173.04530	1.7
178.02730	1.9
179.03485	1.6
179.05542	0.4
189.05646	0.5
191.05623	100.0
192.05977	3.0
193.05037	6.0
221.04643	1.0
281.06812	1.0
281.11453	1.4
293.12433	3.2
299.09265	0.5
311.07684	0.6
353.08804	10.3
354.09116	0.8
473.13040	0.8
517.15405	3.4
531.24780	0.7
635.17987	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	635.1626
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
59.01387	3.5
61.98815	1.5
62.50943	0.5
63.02381	2.3
65.00318	0.9
69.17844	4.3
75.00841	0.6
77.09441	0.5
83.01378	1.2
85.02945	0.6
88.83396	0.6
89.02431	0.9
97.09953	0.7
101.02435	0.7
102.00285	0.6
107.01410	3.3
109.02972	1.3
112.98547	0.7
119.50605	0.5
121.02946	2.5
122.03723	0.9
133.02974	4.4
134.03700	0.8
147.04510	1.2
149.02461	1.4
151.00375	5.1
161.02431	0.5
165.05551	3.2
175.03998	2.3
179.07147	1.5
199.04019	2.4
200.04767	0.8
201.01938	0.7
211.04034	1.0
213.05504	1.1
217.05089	1.1
227.03471	1.8
237.23361	0.6
241.05098	0.8
243.03090	0.8
255.02975	1.6
256.03726	3.6
283.02393	0.7
284.03281	74.1
285.04056	97.8
286.04401	6.9
327.05261	0.7
333.18210	0.5
346.14355	0.9
361.16599	16.2
362.16953	1.4
428.70984	0.5
447.09091	0.5
489.10312	2.6
593.15479	1.3
635.16229	100.0
636.16626	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	635.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	8.1
59.44184	0.7
61.98820	2.6
65.24497	0.7
71.01397	6.0
71.27335	1.0
73.02940	1.7
83.01386	2.9
85.02956	2.4
87.00893	1.8
89.02447	3.8
93.03461	1.2
96.96030	1.3
96.97191	0.7
99.00889	3.7
101.02452	3.3
107.05037	1.2
108.02206	1.2
109.02965	25.4
110.03244	1.1
111.00893	14.5
113.02439	2.5
119.03542	1.4
119.05035	2.1
121.02953	2.8
123.04526	2.4
125.34603	0.7
131.05035	2.0
133.03035	1.6
134.03769	5.1
135.02988	1.3
135.04539	26.9
136.04866	1.5
137.02431	3.0
139.04008	2.6
147.04544	3.5
148.05356	1.7
149.02432	2.9
149.06102	14.6
151.04036	0.9
159.04576	4.7
161.02455	3.8
161.04616	1.3
161.06120	1.2
162.03241	12.3
163.04007	5.0
165.01978	1.9
165.05600	2.2
166.34346	0.9
173.02432	1.1
174.03210	1.2
175.03986	5.8
176.04718	1.3
177.05585	59.7
178.02789	2.0
178.05911	3.6
179.03517	5.4
179.05566	1.4
181.04852	0.9
187.03999	1.2
188.04721	1.0
189.05574	3.4
190.02695	1.0
191.03540	3.9
191.05635	9.3
191.07101	0.8
193.05074	10.4
201.05630	1.4
203.03624	5.4
206.02185	0.8
219.06697	1.6
221.04567	79.4
222.04893	4.0
231.06537	3.9
245.04604	1.6
249.07512	1.0
275.05624	4.6
293.06607	1.1
311.07870	1.5
383.09879	4.5
455.11951	1.4
473.13037	100.0
474.13379	10.3
517.14960	1.6
635.18280	32.3
636.18597	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03456	2.9
59.01387	100.0
64.02959	2.3
69.44070	2.1
71.01395	60.4
71.68404	1.8
72.99323	2.1
73.02950	19.8
75.00903	2.3
83.01399	7.1
83.05020	2.0
85.02959	23.0
87.00903	5.4
89.02457	35.5
95.01415	5.6
98.22543	4.3
101.02454	32.5
113.02475	41.8
119.03561	14.7
135.02998	2.7
143.03551	6.7
161.04607	13.2
179.05656	10.1
206.25735	2.0
369.19269	3.3
431.09598	3.0
518.26331	4.8
531.24622	62.3
532.24847	9.0
549.25549	37.4
550.25641	4.8
591.26959	10.8
592.27539	3.0
625.52173	3.0
636.28680	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
69.18172	16.8
69.19491	2.4
70.12098	2.2
71.01395	58.2
73.02946	10.9
74.31324	2.8
83.01402	6.1
83.05025	3.4
85.02963	13.3
87.00863	4.0
89.02459	41.9
95.01418	3.4
98.55609	2.9
99.00909	4.6
101.02458	23.5
113.02468	38.8
119.03505	20.2
122.23779	2.6
124.57207	2.8
143.03539	7.6
149.04451	3.2
161.04610	11.8
177.98178	2.8
178.42015	2.5
179.05614	7.0
183.62482	2.5
326.31052	2.9
369.19220	3.6
387.20474	5.0
518.25928	4.9
531.24554	60.8
532.24908	7.8
549.25604	39.5
550.25922	3.8
557.94196	3.4
591.26715	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	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.9
58.00599	3.7
59.01093	6.5
59.01385	100.0
61.98835	25.0
69.12700	23.9
69.13108	8.3
71.01392	77.0
72.07431	4.1
72.99310	6.9
73.02962	19.8
75.00866	7.9
81.03455	6.6
82.95409	5.6
83.01397	15.5
85.02962	27.4
87.00900	8.5
89.02458	39.1
92.63702	3.7
95.01389	4.9
96.00931	5.2
96.96044	9.4
99.00876	8.9
101.02457	50.6
113.02464	34.8
119.03521	19.2
125.02462	16.8
125.47630	3.9
126.04738	3.6
131.03548	7.1
137.02492	5.0
143.03532	10.3
150.03249	4.9
161.04593	29.1
165.01962	11.1
165.05453	4.3
179.03497	5.3
179.05630	21.7
180.04289	8.2
183.06636	7.0
189.12878	6.1
191.05614	5.6
193.05127	4.8
195.06631	12.5
198.38821	3.6
200.13521	3.8
205.03535	17.6
210.05342	3.8
216.05034	3.7
221.06519	18.1
225.07646	8.5
263.07733	7.1
268.03741	5.7
284.03464	4.5
387.20657	6.0
429.21555	6.3
473.11594	4.8
531.75958	3.9
534.45380	4.1
549.25232	16.7
575.27222	20.4
576.27026	4.5
591.26752	35.4
592.26721	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	3.1
57.03452	3.2
59.01388	100.0
62.57045	1.6
69.04556	3.7
69.04960	14.2
71.01392	50.0
72.99321	2.6
73.02961	10.4
75.00871	2.4
81.03465	2.5
83.01398	7.9
85.02955	15.2
87.00885	9.7
89.02460	32.4
90.98640	2.0
95.01403	4.9
98.22556	3.7
99.00928	2.6
101.02458	28.9
111.00883	2.0
113.02455	29.0
115.46609	1.7
119.03521	15.0
125.02419	4.3
129.01930	2.5
131.03477	2.5
135.03004	5.7
143.03535	5.5
147.02988	1.9
149.04523	2.3
154.99944	2.9
161.04533	11.7
179.05630	10.8
205.03558	3.0
227.12822	3.6
269.13803	2.7
287.15079	6.6
309.97464	1.7
429.21201	2.0
515.25037	21.7
516.25946	2.8
533.25989	11.8
549.25568	12.5
552.57489	1.8
575.27039	7.7
591.26624	4.6
622.95526	2.0
649.92865	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	635.3441
Annotation	VECURONIUM BROMIDE
Peak:m/z	Relative Intensity
50.93699	0.7
57.03451	1.3
58.00602	1.7
59.01094	1.4
59.01387	28.2
60.08362	0.7
61.98830	0.9
71.01389	18.3
72.99315	2.6
73.02991	0.9
74.85207	0.8
85.02975	3.9
89.02457	30.3
98.21744	1.6
101.02461	2.7
113.02482	2.8
118.53837	0.8
119.03535	1.5
131.03549	2.3
136.72908	0.7
149.04518	1.6
254.76427	0.7
269.66403	0.8
284.03470	0.9
285.04199	1.2
405.27985	1.0
437.27164	1.4
441.30151	0.8
472.63443	0.9
534.09283	0.8
569.31262	1.2
587.32251	17.1
588.32739	2.9
635.34436	100.0
636.34625	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	635.3802
Annotation	Eupteleasaponin VIII
Peak:m/z	Relative Intensity
50.70689	2.8
59.01381	53.5
59.45170	2.8
60.48088	2.7
69.48662	12.6
71.01394	37.8
72.99320	3.8
73.94032	2.7
77.23314	3.2
83.01368	4.1
85.02949	8.5
89.02460	44.2
95.01340	2.9
97.99798	2.8
101.02447	22.2
113.02445	17.5
116.48946	3.0
119.03507	19.9
143.03535	5.6
161.04567	10.8
179.05655	20.4
282.17038	3.2
326.26813	3.0
391.26215	4.2
395.29608	6.1
407.29584	21.8
425.30582	8.0
473.32840	66.8
474.33157	11.2
611.90527	3.6
621.13019	3.1
633.76978	4.2
635.38019	100.0
636.38867	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	637.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86263	0.3
59.01392	1.5
60.13612	0.3
71.01391	14.5
71.10911	0.7
72.01711	0.3
72.99319	3.8
75.00881	0.5
78.32340	0.3
87.00890	0.8
89.02449	3.2
90.39864	0.3
101.02465	0.5
111.00882	0.5
113.02427	0.6
115.00390	41.5
116.00699	0.6
128.35588	0.4
129.96498	0.3
132.03032	0.7
133.01451	100.0
134.01768	2.0
179.05647	0.3
237.06233	0.4
295.10318	2.7
296.10864	0.3
468.37891	0.3
503.15985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85710	0.7
59.01386	11.9
63.87608	0.7
68.72466	0.8
69.06938	0.8
71.01395	22.0
72.99310	4.0
75.00876	2.3
85.02979	1.9
87.00879	1.9
89.02451	11.3
98.20768	0.9
98.22575	1.8
101.02456	5.9
113.02462	2.8
114.02005	1.0
115.00389	43.6
115.03999	1.5
119.03508	3.5
132.03044	2.2
133.01451	100.0
133.05042	1.9
134.01785	2.5
195.47537	0.8
200.57939	0.8
237.06137	2.6
295.10364	43.5
296.10815	2.8
301.15808	0.8
439.16205	1.6
462.07681	1.0
604.62708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97360	1.3
54.10349	1.2
55.01869	4.2
57.03452	2.7
58.00583	1.4
59.01389	49.0
61.98839	2.1
68.53439	1.5
70.28230	1.5
71.01390	53.9
72.99318	2.5
73.02956	15.1
75.00869	2.1
83.01411	8.4
85.02949	17.8
87.00881	5.0
89.02457	32.6
91.57723	1.5
95.01408	3.9
97.02961	3.4
99.00884	4.4
101.02456	43.5
111.00924	3.0
113.02465	18.5
119.03517	18.6
125.02462	5.6
125.45522	1.4
129.01962	2.6
131.03519	2.8
137.02449	2.2
141.01877	1.7
143.03522	5.9
151.78539	1.5
161.04599	17.6
179.05646	18.7
193.05083	3.0
198.99889	1.3
204.89255	1.4
221.06662	4.9
221.59973	1.4
229.14682	2.8
245.06609	1.6
263.07791	3.8
283.02563	1.7
284.03226	3.9
285.03900	3.3
323.09805	3.3
386.44751	1.9
397.37897	1.4
417.24994	27.1
418.25217	2.8
579.30298	100.0
580.30627	16.4
595.14398	2.4
626.35522	1.6
639.36609	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	639.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25498	1.4
51.79280	1.6
54.02243	1.5
55.01881	4.4
57.03444	4.9
59.01385	59.7
61.98835	42.1
69.03463	3.3
69.14176	11.4
71.01388	64.7
72.99314	4.8
73.02952	13.5
75.00877	3.0
77.82099	1.5
81.50757	1.5
82.27773	1.5
82.32950	1.5
83.01385	6.9
85.02965	23.3
87.00897	6.8
89.02459	37.0
95.01414	5.4
97.02971	3.1
99.00885	6.5
101.02454	47.7
102.02791	1.8
111.00900	2.0
113.02475	19.7
116.92919	1.5
119.03529	14.5
125.02466	3.2
129.01965	2.0
131.03496	3.3
143.03502	4.8
145.01413	2.0
159.03029	2.5
161.04607	15.7
177.69872	1.7
179.05614	16.0
191.05644	2.2
204.94344	1.9
221.06659	4.5
236.95088	1.6
255.03172	2.1
263.07657	2.5
265.11438	1.6
283.02921	1.7
284.03278	2.7
285.04095	2.0
323.09964	1.9
417.24985	35.7
418.25281	4.2
459.29755	2.3
463.63510	1.9
517.97925	1.7
560.85614	1.8
579.30249	100.0
580.30731	14.6
595.14966	2.2
597.30865	1.9
639.35632	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	640.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02200	0.2
55.01899	0.2
59.01386	2.7
61.98838	100.0
65.00333	0.2
67.86172	0.2
71.01395	1.1
71.27129	0.4
73.02950	0.5
76.93855	0.2
80.07951	0.3
83.01375	0.2
85.02977	0.5
85.29275	0.2
87.00909	0.6
89.02478	0.6
101.02470	1.0
112.98780	0.2
113.02484	0.4
117.03484	0.2
147.03041	0.2
161.04626	0.3
182.89090	0.2
191.05751	0.3
209.08356	0.6
240.04315	0.4
268.03769	3.2
269.04575	15.0
270.04990	1.0
285.03903	0.2
346.05212	0.2
478.26050	0.2
577.15723	11.1
578.16125	1.9
579.29901	0.3
580.30719	0.5
639.36700	0.3
640.36121	0.6
641.37506	0.4
641.52502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.0
61.98834	22.4
71.01378	1.8
71.26421	2.1
74.20753	1.7
116.92850	7.1
118.98122	2.4
123.00895	2.0
124.01687	3.3
139.03973	4.5
145.02956	2.9
151.00377	12.9
161.02386	2.1
165.05611	2.3
166.02731	40.4
167.03464	2.8
173.02509	2.3
175.04044	5.5
177.05562	2.9
178.06573	1.6
181.05090	68.7
182.05479	3.3
188.04922	2.0
189.05646	1.8
190.06403	7.0
191.05627	2.6
193.05074	6.2
194.05876	1.8
205.08701	7.0
208.07443	7.8
223.09782	18.4
253.04938	1.8
269.04355	3.0
280.06064	3.4
284.06937	1.7
297.04099	9.3
297.61551	1.8
312.06302	13.2
313.06836	2.0
327.08771	28.2
328.08884	3.4
342.11090	40.6
343.11356	2.7
357.09091	4.0
357.13452	66.4
358.13727	5.7
375.14569	16.3
387.14929	2.0
405.15588	100.0
406.16019	11.6
417.15610	8.9
418.15601	1.9
435.16592	12.2
567.20111	3.3
633.18744	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	640.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
61.98832	19.1
69.52469	1.5
71.01382	4.7
71.27081	2.0
78.63095	1.7
88.98769	1.9
89.02436	2.0
94.80069	1.8
116.92839	5.8
120.01272	1.8
122.43051	1.7
139.03998	4.5
151.00383	10.2
165.05576	2.4
166.02727	36.1
175.03949	4.7
179.75801	1.8
181.05087	57.9
182.05458	3.2
182.30865	1.8
183.70761	1.6
189.05577	2.0
190.06392	6.6
193.05095	5.3
194.05888	1.9
203.81203	1.8
205.08707	6.3
207.06613	2.7
208.07390	6.7
223.09737	14.3
267.29819	1.6
274.90027	1.7
280.06030	2.3
297.04068	14.5
312.06421	13.7
327.08743	25.1
342.11118	42.7
343.11407	5.3
357.13477	73.7
358.13657	7.8
375.14487	16.6
405.15582	100.0
406.15884	12.6
417.15640	9.5
418.15619	2.0
435.16794	11.6
567.20850	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	641.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.9
57.03456	3.4
58.00554	2.5
59.01385	100.0
61.98827	10.2
62.64842	2.1
65.33920	2.5
68.82745	2.5
69.03486	2.8
71.01389	22.2
72.99311	4.8
73.02940	7.2
73.38512	2.2
75.00868	5.9
83.01408	12.3
84.50602	2.3
85.02961	11.0
87.00884	35.7
89.02468	12.5
99.00893	6.0
101.02464	14.5
103.00391	3.4
108.02169	3.0
111.00870	9.3
112.98820	21.5
113.02489	7.5
114.01931	3.1
115.00359	6.5
115.29051	3.0
117.01895	2.7
119.03476	3.7
127.00378	13.6
129.01964	16.5
130.99797	2.8
143.03543	2.9
145.01457	35.8
147.03030	17.5
154.99876	18.4
165.03990	2.5
165.12958	2.4
181.12288	3.2
183.10297	6.5
191.05647	4.6
192.59583	2.3
207.13960	2.9
209.11757	4.7
225.11305	6.7
225.14944	11.9
227.12898	34.9
229.07202	2.6
243.12433	10.5
255.19768	11.4
269.13953	10.7
287.15054	33.2
355.13867	4.4
373.15048	5.4
399.16611	7.8
401.14539	5.5
415.16104	6.3
417.17715	76.8
417.24341	4.9
418.17960	8.3
435.18802	23.3
461.16653	12.5
461.23917	26.3
462.23950	3.7
529.15582	3.4
569.74365	3.0
641.30231	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	641.3185
Annotation	RUBUSOSIDE
Peak:m/z	Relative Intensity
51.99318	0.4
55.01876	0.9
57.03448	0.8
59.01093	0.6
59.01382	9.8
61.98838	2.4
71.01382	8.6
72.99303	0.6
73.02962	3.1
83.01379	1.6
85.02957	3.8
87.00875	0.8
89.02457	1.9
90.32219	0.4
93.03504	0.5
95.01392	0.7
96.96093	0.5
97.02934	0.5
98.22546	1.0
99.00906	0.5
101.02454	6.4
111.00894	0.6
113.02463	3.5
119.03472	0.6
125.02473	0.9
127.85308	0.4
137.02448	0.5
137.95735	0.5
138.81581	0.5
161.04626	0.7
173.51154	0.5
184.98706	0.4
191.05751	0.5
229.22371	0.5
283.02573	1.1
285.04019	0.9
317.21219	7.6
318.21738	0.6
376.87018	0.5
402.40121	0.5
461.08612	0.6
461.26007	0.8
479.26563	10.7
479.32904	0.7
480.27029	1.8
641.31812	100.0
642.32153	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	642.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13332	0.4
57.14386	0.4
58.26900	0.4
59.01391	4.3
61.98835	100.0
62.98539	0.5
63.99264	1.9
67.01895	0.6
71.01398	2.6
73.02936	1.0
85.02953	0.9
87.00904	0.5
87.83093	0.5
89.02486	1.4
93.03468	2.2
98.21724	1.0
101.02470	1.6
111.04528	0.5
113.02475	1.2
119.03536	0.4
124.01759	0.5
131.03445	0.5
134.03784	0.9
136.01701	0.5
149.06100	0.7
151.04080	0.4
161.04634	0.5
173.04620	1.6
180.04366	0.5
191.05807	0.6
250.96683	0.5
269.04584	0.8
270.04837	0.6
271.05145	1.0
337.11343	0.6
367.10760	0.5
369.05991	0.5
431.86371	0.5
543.15247	1.4
579.16272	2.0
643.25958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08224	1.5
59.01386	2.1
61.98822	5.0
73.02952	1.9
88.87653	1.5
90.48207	1.5
116.92905	1.9
123.98655	1.6
139.30020	1.6
139.77829	1.6
154.96417	1.7
194.92546	1.7
218.53311	1.8
388.19180	2.1
488.66006	1.9
493.14755	1.8
496.14319	4.8
497.14407	3.1
507.16528	3.2
508.17847	4.0
510.15549	5.5
511.15958	12.6
512.16455	3.1
523.20074	3.7
538.15417	1.6
544.16608	7.0
553.17719	2.7
570.17310	2.5
571.18427	4.2
572.19147	2.4
643.20520	100.0
644.20807	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	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19378	0.6
59.01387	4.4
61.41989	0.5
61.98838	1.6
64.39530	0.5
67.01902	1.7
69.16274	2.4
69.16691	1.6
70.60481	0.6
71.01397	2.8
73.02971	0.6
75.55975	0.6
85.02959	0.8
89.02463	1.3
93.03510	0.8
94.49138	0.5
95.01392	0.9
96.97749	0.5
101.02438	1.1
109.02968	3.0
111.70139	0.5
113.02464	1.2
119.03536	0.9
121.02981	0.8
123.00901	0.8
135.04579	1.0
136.01677	2.2
137.02455	25.4
137.03503	1.2
139.00386	0.8
149.02510	0.9
150.03227	1.4
151.00394	6.0
151.04013	3.3
152.01115	0.8
152.04774	1.3
153.02072	0.5
159.04506	0.8
164.01172	2.3
165.01949	100.0
165.05586	3.4
166.02721	17.8
167.03413	2.1
175.03979	1.1
177.01982	0.9
177.05568	1.2
178.02727	0.7
179.01907	0.6
179.03517	20.9
180.04295	53.7
181.05070	21.4
182.05455	1.6
184.03798	1.3
187.04018	1.5
190.06456	0.6
191.03618	0.8
192.04375	0.8
193.05070	1.4
194.05948	3.5
195.03015	2.6
195.06645	71.6
196.07010	4.0
202.06387	0.7
205.05083	5.2
207.06653	1.3
210.05367	11.6
220.07426	3.1
221.08224	1.0
221.29320	0.6
225.07700	48.6
226.08061	2.6
235.09763	1.5
285.04144	1.4
297.04053	0.9
339.08905	0.8
359.11322	2.2
371.11435	1.1
387.10645	2.3
387.14929	5.6
388.15256	0.6
402.13242	2.6
403.13922	1.2
416.14911	1.3
417.09885	1.3
417.15570	27.0
418.16061	4.0
477.92484	0.7
544.60449	0.6
565.19971	2.6
573.34491	0.7
577.20642	0.7
580.19299	1.2
583.32294	0.7
595.21851	37.5
596.22308	6.5
643.24390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43293	2.1
51.06114	2.6
59.01368	2.7
71.29390	3.8
94.06651	3.0
107.03793	8.7
120.08198	25.5
122.06145	73.0
123.06381	2.4
124.07674	2.9
132.04529	2.5
134.06122	5.2
139.02710	2.5
152.07193	91.5
153.07503	2.9
159.83781	2.6
190.05112	6.6
223.08786	3.6
224.09555	3.1
237.10382	9.4
238.10985	2.9
239.11839	7.1
245.12863	5.5
249.06578	3.6
251.08453	5.0
251.11771	5.9
263.08469	4.1
264.09036	10.4
265.09796	8.9
271.10898	3.6
276.08951	2.6
277.09842	4.0
278.10651	3.7
279.11398	34.0
280.12021	4.0
291.11401	8.1
292.11899	2.4
295.10886	5.0
313.12234	2.7
323.10385	6.1
324.11417	2.7
354.24820	2.4
388.16650	2.5
402.18292	9.2
444.19653	11.9
448.18829	8.5
482.47549	2.8
488.18445	26.4
489.18997	15.7
520.20886	41.7
521.21057	7.3
525.25323	3.7
567.26160	35.3
568.25977	4.0
611.25201	100.0
612.25378	15.0
643.27875	25.5
644.27551	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	644.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
61.98838	100.0
62.98537	0.2
69.04626	1.1
71.01392	0.2
76.25547	0.1
77.24678	0.1
83.05342	0.1
88.36987	0.1
90.24990	0.1
113.02476	0.2
150.03271	0.1
162.17699	0.1
174.91701	0.1
234.14561	0.1
280.92151	0.1
464.00284	0.2
607.25500	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08889	0.3
61.98838	100.0
62.98570	0.4
64.70353	0.3
68.99555	0.3
71.01396	0.5
98.21832	0.9
101.44096	0.3
111.33309	0.3
120.24409	0.3
127.09177	0.4
165.34245	0.3
203.01534	0.4
247.07545	0.3
296.76923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66150	0.6
54.77660	0.7
58.70721	0.7
59.01386	3.1
63.56256	0.5
68.96488	5.3
68.96893	1.3
71.01376	2.8
73.02946	1.3
75.00851	0.6
83.01409	0.8
84.41389	0.6
85.02949	1.3
88.12830	0.7
89.02435	1.5
96.96024	1.7
101.02454	1.7
104.28378	0.6
107.01432	0.6
113.02454	1.1
133.02969	1.8
143.78096	0.8
151.00369	3.1
175.03998	0.8
179.05641	0.6
191.05623	1.6
193.46758	0.6
199.04144	0.8
255.03035	1.2
256.03772	0.9
257.94153	0.7
284.03302	39.9
285.04071	100.0
286.04468	8.1
304.10410	0.7
306.67944	0.6
327.05215	1.0
331.68771	0.8
393.56287	0.7
447.09372	92.6
448.09695	9.5
483.24615	1.5
609.14673	31.4
610.15271	5.4
614.47552	0.7
645.29755	2.2
658.11609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56433	0.5
51.02219	0.5
59.01377	1.3
61.98849	4.2
69.13821	1.9
69.14238	2.7
82.60196	0.5
83.66517	0.5
88.12830	0.6
93.39496	0.5
107.01466	0.6
120.99635	0.9
133.02934	2.7
149.02415	0.9
151.00362	2.7
175.04083	0.9
181.38290	0.6
187.03836	0.7
199.04063	1.0
217.05147	0.6
241.05135	1.0
255.02997	4.3
256.03763	1.7
258.75064	0.6
283.02524	1.9
284.03302	28.0
285.04074	100.0
286.04446	6.7
327.04926	0.8
376.55026	0.6
447.09360	75.7
448.09711	7.5
609.14648	32.6
610.14960	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	645.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12224	1.9
59.01386	21.2
61.98838	2.1
70.91164	4.6
87.00857	2.1
93.03462	5.7
96.96038	3.8
112.79624	1.7
114.65586	1.8
121.02969	4.0
122.03747	6.5
124.01689	2.3
133.02953	2.8
137.02466	9.3
139.88506	2.0
149.02470	40.2
150.03258	72.1
152.04845	4.6
164.04848	14.7
165.05598	96.4
166.05904	7.1
167.07126	2.9
179.03510	4.6
180.04300	5.8
191.05620	11.9
195.06642	53.2
196.07036	3.1
201.08929	2.3
212.06947	14.6
227.09251	39.8
228.09488	2.8
300.09967	5.1
307.08359	3.6
315.12466	10.2
360.12149	5.3
375.14517	51.3
376.14722	6.0
405.15402	3.8
423.16687	100.0
424.16885	10.9
520.16382	2.3
621.40436	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	645.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	3.9
58.57507	1.5
59.01387	100.0
61.98838	13.4
69.29916	6.9
69.30345	5.0
71.01392	53.2
72.99299	5.5
73.02954	13.4
75.00861	1.8
83.01387	6.1
84.07867	1.5
85.02964	13.1
87.00904	3.3
89.02460	48.7
90.24042	1.7
95.01417	3.9
95.05009	10.3
95.72092	1.5
99.00884	1.9
101.02455	30.1
113.02458	27.1
117.21173	1.7
119.03506	20.4
121.06580	4.5
125.02393	2.7
131.03470	2.9
134.03813	7.7
143.03497	6.1
149.04599	3.0
149.39819	1.6
161.04596	11.4
163.04007	2.0
165.05519	1.9
179.05669	10.0
188.80054	1.5
191.05560	2.1
193.01437	1.8
193.05125	10.3
195.06635	2.1
217.12332	6.3
275.11414	3.9
284.03302	6.0
285.04099	47.9
286.04379	4.9
379.17639	6.9
397.18646	2.4
452.33731	1.8
509.70074	1.6
526.87250	1.8
609.14557	22.4
610.14832	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	645.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10973	1.6
52.63336	1.7
59.01384	13.6
61.98834	11.1
71.01383	7.7
71.26934	2.8
80.91106	1.8
85.02975	2.6
89.02464	6.1
90.40961	1.8
101.02470	5.5
109.03002	2.2
111.63911	1.8
113.02489	5.1
113.19627	1.6
128.65453	1.8
134.13269	1.9
137.02452	19.9
142.21777	1.7
147.04512	4.0
149.95282	2.0
151.00490	2.1
151.03990	3.0
161.04443	2.1
162.03236	2.6
163.04013	6.5
164.01114	2.7
165.01955	100.0
165.05740	2.3
166.02545	4.5
174.03258	1.9
175.04042	10.1
176.04768	2.0
177.05630	5.6
179.03528	18.9
180.04318	53.0
181.04959	5.6
188.04832	2.8
189.05597	2.8
190.06372	9.1
191.03438	2.5
191.07187	6.6
192.04297	2.7
193.04912	3.4
194.05882	10.7
195.06648	70.6
196.06905	1.8
205.08707	9.1
206.05927	2.5
207.06633	6.3
208.07410	3.3
209.08159	4.2
210.05392	9.6
223.06117	2.6
225.07701	53.6
225.51863	1.9
269.58090	2.0
285.04117	8.7
286.04205	1.9
309.87686	2.1
374.13306	2.2
389.16119	44.4
390.16364	4.4
413.64050	2.3
454.69821	2.2
523.07794	1.8
567.22437	40.8
568.22461	6.5
615.24072	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	645.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.3
57.82667	1.0
59.01384	48.8
61.98832	6.0
68.99241	2.6
68.99650	9.7
71.01393	7.9
73.02960	6.8
83.01391	7.6
85.02955	2.8
89.02438	1.4
93.03481	1.5
101.02455	5.4
109.55322	1.0
113.02467	2.0
121.02921	3.1
122.03780	8.3
135.04553	2.1
149.02415	3.7
150.03238	62.3
151.03838	4.1
163.04053	1.6
165.05583	100.0
166.05891	4.2
167.10764	2.7
170.94115	1.0
191.05605	2.3
205.09895	1.1
209.11839	4.7
213.07710	4.8
225.14958	5.2
227.10698	1.6
227.12897	28.3
228.13138	1.4
251.12877	2.2
255.02966	1.4
269.13934	5.2
285.04056	29.7
286.04376	2.5
287.14978	11.5
329.16049	1.6
355.17673	1.7
355.67813	1.9
371.17038	2.0
431.19281	8.1
447.09622	1.5
464.50403	1.3
609.14813	10.5
610.15308	2.2
627.26575	3.6
645.27606	61.2
646.28076	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	647.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62522	0.5
59.01388	1.2
59.93470	0.5
61.34985	0.5
69.17352	3.9
71.01394	1.4
74.48817	0.5
74.77819	0.4
75.00898	0.6
80.78717	0.4
85.02956	5.3
87.00881	1.5
93.03477	2.8
96.96038	0.8
98.22489	0.8
111.04562	0.7
118.99006	0.5
127.04051	1.0
131.07127	0.6
133.02975	0.8
134.03749	2.8
135.04527	0.7
147.03003	0.7
161.02428	1.8
173.04549	1.1
179.03473	0.7
191.05632	100.0
192.06026	3.8
193.05098	3.9
293.12631	1.2
341.08734	0.9
353.08844	11.3
354.09091	1.3
460.38770	0.5
501.03146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.7
55.05239	2.2
57.03441	4.7
59.01094	5.0
59.01384	87.5
59.51969	2.2
61.98844	14.1
62.44411	2.4
67.01895	2.4
68.99803	4.5
71.01389	42.7
72.99297	3.6
73.02949	19.8
75.00867	9.7
81.03452	2.5
83.01393	18.2
83.04995	2.8
85.02938	9.9
87.00884	22.1
88.98818	7.7
89.02460	21.0
95.01420	4.8
99.00910	11.7
99.04549	5.3
101.02451	30.0
103.00390	2.7
108.02205	3.1
109.02958	3.1
111.00880	10.8
112.98808	14.2
113.02458	18.2
113.99606	39.0
115.00407	15.1
117.01884	3.8
119.03505	5.7
125.02459	2.6
127.00379	8.2
129.01949	10.6
131.03485	3.2
135.02992	4.0
137.02496	2.2
143.03484	4.9
145.01425	18.4
147.03058	3.9
149.04420	2.3
152.17607	2.3
153.01886	5.5
154.99905	11.0
156.00655	16.1
157.01355	2.5
157.03154	2.8
161.04588	3.8
165.04091	3.8
165.05559	3.0
174.01717	100.0
175.02280	5.1
179.05603	5.3
186.66634	2.5
187.02460	2.9
191.05643	6.8
203.05919	2.4
209.06725	3.1
209.11806	2.6
225.15012	4.2
227.12866	5.9
285.04141	7.2
287.14816	11.6
409.62381	2.4
429.43225	2.3
485.23792	4.1
511.21780	11.1
512.22076	3.4
529.26471	3.0
603.25861	2.8
647.23022	15.1
648.23419	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	647.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.6
59.01384	42.0
61.98832	7.7
66.73029	1.5
69.57232	5.2
69.57642	2.8
71.01388	27.9
72.99316	4.0
75.00864	2.8
83.01393	3.0
85.02959	6.5
87.00888	4.2
89.02451	29.6
93.03487	2.4
95.01376	2.2
96.96031	14.2
96.96952	2.3
99.00882	2.5
101.02458	19.0
113.02480	11.2
116.92853	5.6
117.01932	1.5
119.03525	13.6
119.05027	2.1
125.67771	1.5
131.07147	4.9
133.02963	2.2
134.03694	2.2
135.03026	6.2
135.04539	12.8
145.01454	3.4
161.04556	1.8
163.04031	4.2
165.05557	1.4
173.04575	5.1
177.02054	1.4
179.03488	4.9
189.38478	1.5
191.05609	7.7
193.05145	2.8
256.36948	1.5
263.05743	2.8
265.95267	1.5
291.08896	1.7
293.12378	10.9
293.15170	1.9
323.13489	100.0
324.13821	6.8
341.09018	2.6
353.08768	3.3
647.16199	23.2
648.17200	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	647.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.5
59.01387	100.0
68.96690	7.4
68.97089	25.5
71.01389	61.1
73.02950	12.1
83.01386	5.9
85.02970	18.1
87.00877	5.0
89.02464	48.2
95.01396	4.6
99.00941	3.5
101.02454	34.6
113.02466	38.9
119.03503	20.1
131.03406	2.8
143.03520	8.1
149.04616	4.4
161.04578	10.8
179.05602	9.7
285.04074	3.8
362.19986	2.9
381.23349	3.0
469.15665	3.7
543.28113	22.3
544.28387	6.7
561.29321	23.0
562.29651	3.8
635.35590	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	647.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03450	1.7
58.00598	2.2
59.01387	100.0
61.98831	3.1
67.16481	1.4
69.03458	1.9
69.99008	4.7
71.01390	49.6
72.99297	3.9
73.02948	19.2
78.01929	1.6
83.01385	6.0
85.02967	20.3
87.00883	5.6
89.02456	42.2
95.01400	6.0
99.00859	1.9
101.02451	36.0
112.98795	2.1
113.02470	32.3
119.03519	21.3
125.02486	2.4
128.65796	1.7
129.02011	1.6
131.03523	4.7
143.03508	5.7
143.23000	1.3
149.04553	2.4
161.04581	9.8
179.05623	10.2
191.05577	1.7
285.03943	5.6
337.11560	2.8
458.20294	1.4
543.28168	16.2
544.28802	2.7
546.05310	1.4
552.46460	1.6
561.21259	2.4
561.29218	23.9
562.29523	5.2
603.30164	3.2
658.28406	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.2
57.03454	3.3
58.00597	2.6
59.01387	98.2
61.98838	22.6
70.55693	2.4
71.01389	63.5
72.99306	4.3
73.02951	13.0
81.92754	2.3
83.01376	8.0
85.02962	29.1
87.00897	4.3
89.02464	24.5
95.01386	5.2
97.02975	3.2
99.00900	6.8
101.02462	36.0
113.02456	28.3
119.03526	12.1
125.02448	7.2
131.03563	2.5
143.03519	8.0
161.04587	10.3
208.30690	2.4
219.26904	2.2
285.04169	5.7
332.13455	2.3
380.00388	2.7
399.23657	5.1
423.28687	2.8
493.00101	2.8
543.28259	100.0
544.28223	14.3
561.29254	78.0
561.38135	3.6
562.29651	11.0
603.30078	6.0
647.39227	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	647.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
59.01385	100.0
60.10812	2.4
68.95992	13.8
68.96416	10.4
71.01394	50.6
72.99334	3.2
73.02941	9.8
83.01414	9.0
85.02973	14.4
87.00919	4.6
89.02454	44.5
95.01401	3.1
95.88735	2.3
97.44265	2.7
101.02436	25.4
101.02929	2.0
102.39312	2.1
113.02451	40.0
119.03495	16.4
131.03476	3.5
135.03069	2.9
143.03502	4.9
150.91368	2.7
161.04561	12.9
179.05632	9.8
285.04221	2.9
291.57114	2.7
410.45779	2.6
543.28198	22.8
561.29071	24.6
607.62970	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	647.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03449	1.2
59.01387	100.0
69.10118	6.6
71.01389	21.5
72.99316	1.1
73.02954	6.5
75.00867	1.0
83.01408	2.6
85.02960	8.7
87.00923	1.3
89.02452	9.1
95.01434	1.9
96.96017	5.0
99.00851	1.9
101.02444	13.7
103.21202	0.8
113.02465	11.7
119.03512	3.6
128.20058	0.7
135.04546	2.0
143.03493	2.1
159.02989	0.9
161.04564	11.4
179.05632	2.8
191.05624	2.6
193.05107	2.1
198.24503	0.8
284.03189	1.8
285.04099	4.4
399.23700	4.2
447.09280	3.2
458.32245	0.9
543.28320	16.7
544.28680	2.0
561.29504	5.5
603.30731	7.1
604.30438	1.1
605.28668	1.0
609.14502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87888	0.4
55.01884	1.3
57.03446	1.8
57.46677	0.4
58.00592	1.6
58.03062	0.4
59.01387	44.7
61.98827	0.7
64.36691	0.4
69.03479	2.6
70.79932	0.7
70.80257	0.8
71.01389	40.3
71.61971	0.4
72.01732	0.6
72.99324	3.9
73.02952	7.8
75.00880	0.9
77.58897	0.5
78.81141	0.4
81.03465	1.7
83.01387	6.3
83.05025	0.8
85.02961	9.6
87.00880	8.4
89.02457	35.3
91.04020	0.6
95.01395	2.5
97.02956	6.4
98.22444	0.5
99.00887	2.6
99.04533	0.7
101.02452	37.6
102.02782	0.8
103.00393	0.6
105.73400	0.4
106.19141	0.5
109.02917	0.6
111.00891	1.2
111.04523	1.1
113.02464	18.8
115.04029	0.8
119.03510	10.4
123.04530	0.6
125.02465	12.9
127.04037	0.8
131.03529	2.6
133.05074	1.6
137.02457	0.5
139.04037	0.9
141.02005	0.8
143.03513	5.7
145.04944	0.6
149.04570	1.1
157.05075	0.6
161.04575	12.4
167.03520	0.9
179.05620	6.5
185.04549	0.8
187.69139	0.5
199.06253	0.5
203.05608	0.6
205.19656	1.0
216.30904	0.5
217.07150	1.1
219.22310	0.4
219.25063	0.4
221.06689	2.6
229.82703	0.5
231.17578	1.3
235.08249	14.3
236.08618	0.6
245.06874	0.5
249.18620	100.0
250.18977	7.7
253.09308	8.7
263.07709	1.7
277.09299	1.2
287.07739	3.6
305.08780	3.2
323.09903	1.8
361.11411	0.6
379.12372	1.1
397.13538	80.9
398.13858	6.2
415.14615	35.0
416.15219	2.2
647.34503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84111	2.4
55.17590	2.3
59.01383	14.4
61.98801	4.6
71.01394	14.8
75.00884	10.8
85.02972	8.2
87.00900	6.2
89.02451	5.4
96.96038	4.5
99.00877	3.4
101.02457	3.0
113.02450	16.2
113.57745	3.1
115.00385	2.7
117.01949	3.1
175.02469	3.1
267.66757	2.7
337.03824	2.9
401.66324	3.8
407.25833	3.3
423.29065	11.8
647.34503	100.0
648.34637	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	649.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
57.03457	1.9
58.03019	0.8
59.01387	62.9
68.99820	3.0
71.01392	17.7
72.99315	6.6
73.02954	6.6
75.00875	4.8
76.48113	0.9
83.01399	16.7
85.02966	3.2
87.00886	44.0
88.08231	0.8
88.98850	1.0
89.02468	2.9
90.09213	0.9
99.00892	4.9
99.04527	4.0
100.17311	0.9
101.02444	9.8
103.00383	10.9
106.36839	1.0
111.00904	10.9
112.98827	67.9
113.02476	3.7
113.99088	1.5
115.00384	7.2
117.01956	3.4
119.03548	0.9
124.98833	1.2
127.00397	16.8
129.01952	16.2
130.99863	7.5
135.03020	2.7
139.00433	2.4
140.11095	0.9
141.01956	1.7
142.99908	1.8
143.03467	1.0
145.01451	100.0
146.01808	2.8
147.03020	16.0
153.01872	1.1
154.99886	33.9
156.00327	1.3
157.01457	4.0
165.12949	1.0
169.01468	1.0
171.03015	5.5
173.00977	4.3
175.02515	4.0
187.02521	5.3
189.04053	3.3
203.18526	0.9
207.13921	6.2
209.11856	4.6
225.14995	11.0
227.12897	30.9
228.13242	2.0
238.96654	1.0
251.12859	2.2
269.13980	10.3
277.05606	1.1
287.04510	1.0
287.11859	1.9
287.15033	36.8
288.15424	2.2
293.14090	1.6
311.15005	2.1
329.16089	2.8
339.14322	1.0
355.13834	1.7
381.15704	1.4
397.14902	2.0
399.16711	4.4
415.16302	1.9
417.17773	10.3
445.17282	3.9
457.17355	1.5
531.27966	1.4
573.18793	1.1
621.43286	1.2
649.22607	4.9
650.24078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84750	0.8
57.03446	3.4
58.20684	0.9
59.01385	9.5
61.98820	2.9
70.12692	1.3
70.13080	1.7
71.01390	14.3
72.99323	2.8
75.00483	1.4
75.00877	13.0
79.40619	0.8
83.01397	1.1
85.02958	15.5
86.94344	0.7
87.00893	5.1
89.02446	3.5
95.01395	1.6
96.96033	1.7
99.00886	2.8
99.92632	1.2
101.02457	0.9
113.02464	14.9
115.00359	1.4
117.01974	0.9
119.40466	0.8
123.78582	0.9
175.02472	2.1
189.60249	0.7
217.15953	2.0
227.87506	0.9
250.18901	0.8
275.34540	0.8
283.18665	0.9
391.26572	1.6
393.28229	1.1
395.29559	1.5
405.28479	0.9
407.29504	6.2
423.29080	2.6
425.30637	2.0
473.32709	1.2
649.35986	100.0
650.03735	0.8
650.36273	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	649.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40222	2.9
51.92967	2.9
56.52732	2.9
59.01384	27.6
61.98800	3.5
69.33759	18.8
69.70190	3.1
71.01385	24.0
71.89149	3.1
72.92990	2.7
78.30560	2.8
85.02959	6.0
89.02445	20.3
89.07874	3.1
101.02451	13.6
113.02455	9.8
119.03520	8.5
135.42490	3.2
236.71159	3.0
317.83875	3.1
395.29553	5.6
439.28571	55.0
440.28857	7.2
619.34869	5.5
649.25348	6.9
649.35907	100.0
650.36487	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	651.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.8
59.59240	0.3
63.02384	0.5
65.00335	0.8
71.01392	2.9
72.99306	0.4
73.02949	0.4
75.00861	0.9
83.01395	0.9
85.02966	0.7
87.00896	1.3
88.98819	0.5
89.02455	1.6
91.66766	0.3
96.96033	0.3
101.02464	1.3
107.01373	1.1
109.02925	0.5
111.00912	0.5
112.98842	0.6
113.02464	1.2
118.98116	0.3
119.03537	0.7
121.03045	0.4
123.45363	0.3
125.02486	0.5
133.02962	3.4
133.58701	0.3
134.03712	0.4
135.03008	0.7
142.99854	0.3
143.03484	0.4
145.01414	0.6
149.02475	0.8
151.00371	3.3
151.12361	0.3
154.99841	0.3
159.81444	0.3
175.04042	1.2
177.01903	0.4
179.05595	0.5
191.05594	0.8
197.06221	0.5
199.03914	1.5
201.01895	0.6
211.03987	0.9
213.05667	0.4
217.05098	0.7
227.03574	0.5
227.12892	0.4
239.03494	0.4
241.05098	0.5
243.02887	0.3
255.03026	6.7
256.03763	2.5
257.04495	0.5
281.04660	0.4
283.02548	2.8
284.03293	37.1
285.04071	100.0
286.04419	8.5
287.15121	0.5
297.03824	0.5
327.05151	0.9
338.07974	0.5
353.10468	0.6
371.11411	0.7
415.78119	0.3
429.08273	1.3
440.52094	0.3
447.09366	27.2
448.09763	2.6
488.09503	0.4
489.10449	57.8
490.10815	6.8
533.16760	0.7
533.25159	0.4
651.15649	15.5
652.16528	2.3
652.35547	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	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18750	0.5
58.35307	0.4
59.01387	7.5
63.02402	0.8
64.06086	0.4
65.00335	0.8
68.10806	0.4
71.01391	3.5
71.27608	0.5
71.27974	0.6
72.99319	0.8
73.02977	0.6
75.00864	0.9
79.84473	0.5
83.01382	0.6
85.02946	1.4
87.00896	0.9
88.98816	1.9
89.02441	2.2
90.80607	0.4
96.96029	0.5
99.00871	0.8
101.02454	1.3
107.01405	1.1
111.00915	0.6
112.98808	0.9
113.02451	1.0
119.03546	0.7
133.02972	2.7
135.03015	1.2
145.01488	0.6
149.02412	0.9
151.00418	3.0
154.99762	0.7
161.04506	0.6
172.06143	0.7
175.04007	1.4
177.96866	0.5
179.07132	0.6
191.05678	0.9
197.06026	0.6
199.04016	1.1
211.04259	0.5
217.05006	0.7
227.12973	0.7
243.02911	0.6
255.03046	5.6
256.03845	2.3
269.04526	0.7
283.02557	2.0
284.03302	29.9
285.04077	100.0
286.04471	6.8
287.15005	0.6
327.05148	1.1
383.76105	0.5
429.08029	0.9
436.68811	0.5
446.08398	0.7
447.09378	63.9
448.09790	7.5
489.03308	1.0
489.10443	20.4
490.10846	2.6
651.15479	10.0
651.32397	1.2
652.16132	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.3
59.01383	3.5
61.98811	0.5
63.02390	1.0
65.00320	0.9
69.04323	0.4
69.04728	2.4
71.01383	1.8
72.99257	0.3
75.00849	0.4
83.01389	0.8
85.02921	0.8
87.00883	0.5
88.98798	0.6
89.02469	1.4
89.02961	0.3
94.44442	0.2
95.01352	0.3
98.21714	0.5
101.02445	1.1
105.03409	0.5
107.01390	1.8
109.02957	0.8
113.02445	1.0
119.03459	0.4
121.02931	1.0
133.02959	3.7
135.03004	0.4
149.02495	1.6
149.03528	0.3
151.00388	3.3
158.03665	0.3
161.04491	0.3
165.04024	0.7
175.02615	0.5
175.04007	2.0
176.74423	0.3
177.45049	0.3
185.06181	0.5
199.04002	1.6
201.01938	0.8
202.02779	0.3
213.05620	0.5
213.23189	0.3
213.54826	0.3
217.05020	1.0
221.06660	0.3
227.09013	0.3
227.12967	0.3
235.35614	0.3
241.05040	0.7
243.02965	0.4
267.02994	0.5
284.03397	3.5
285.04077	100.0
286.04410	7.3
423.29425	0.3
447.09106	0.3
447.16153	0.5
459.03360	0.3
471.25778	0.7
489.09653	0.5
651.15704	23.0
651.32568	0.7
652.16028	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	651.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
59.01387	13.8
61.98830	1.0
63.43782	0.6
68.99810	2.4
71.01389	7.3
71.27079	1.3
72.68311	0.6
72.99294	1.3
73.02939	2.7
75.00887	11.0
83.01383	1.9
85.02952	6.3
87.00893	3.4
88.98800	1.0
89.02461	2.5
92.49679	0.8
95.01370	2.0
95.05010	0.8
99.00892	5.3
101.02427	3.9
107.03689	0.7
111.00884	2.1
113.02464	5.7
113.99596	10.3
115.00399	5.4
119.05058	1.0
120.04546	2.6
122.06120	0.7
126.09410	0.7
127.00389	2.8
129.01944	4.9
134.06149	3.7
135.03043	0.7
139.00401	0.8
143.01060	0.7
147.02968	1.2
154.99872	1.0
157.01416	3.7
159.05670	2.2
163.03987	1.1
165.04059	25.5
174.01703	5.6
175.02533	1.4
182.06105	1.0
191.05624	0.8
197.08502	0.7
212.05841	0.7
212.10796	5.4
212.74110	0.6
225.06689	2.3
226.07475	2.4
227.08307	0.7
227.43138	0.8
239.08340	4.0
240.09047	6.5
241.09830	4.1
255.11415	74.5
256.11749	7.1
277.05664	15.4
278.05832	0.7
281.09293	1.4
282.09909	0.7
283.10831	0.9
285.04086	1.4
299.10318	1.6
314.84558	0.7
337.07791	100.0
338.08160	6.3
342.12314	0.8
399.24081	0.8
539.58850	0.8
565.28741	0.8
591.30084	2.9
607.33142	2.9
609.31262	2.3
619.17865	23.3
620.18127	4.2
651.20581	17.9
651.31696	3.8
652.20770	2.8
652.42548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58026	0.8
57.03433	1.8
59.01386	100.0
69.06277	4.2
69.06714	4.2
71.01404	10.3
72.99309	1.3
73.02941	1.6
75.00887	5.9
83.01398	1.1
83.05039	1.4
85.02929	3.0
87.00890	2.0
89.02465	6.8
97.15712	1.0
98.22545	1.8
99.00906	0.9
99.04513	3.0
99.42677	0.8
101.02444	4.0
113.02449	3.1
117.02032	0.8
119.03502	2.6
135.03006	6.6
165.04089	1.8
165.12857	1.5
179.05426	0.9
207.13873	2.7
209.11823	7.3
219.20540	0.8
225.14876	2.0
227.12918	16.3
251.12984	1.4
269.13889	1.6
285.04047	2.5
287.14893	1.8
325.20038	1.1
329.19843	0.9
385.52362	0.9
471.25711	3.0
509.20032	1.0
515.25110	4.9
533.26086	85.5
534.26428	14.1
607.33112	1.6
651.28668	36.2
652.29492	5.5
652.42542	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	651.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
56.66074	1.1
57.03446	2.3
59.01386	100.0
60.01709	1.3
64.08575	0.9
69.16438	7.0
71.01392	12.9
71.05010	1.5
72.99287	1.5
73.02956	5.6
75.00868	4.3
83.01392	1.2
83.05049	2.2
84.75249	1.0
85.02959	5.1
87.00878	2.2
89.02449	4.4
95.01389	2.1
98.21725	1.1
99.00892	2.8
99.04530	2.3
101.02431	7.0
101.06094	3.4
104.70747	1.0
107.17722	1.0
111.48251	1.0
112.98782	1.1
113.02477	5.8
117.02010	1.2
119.03538	1.5
125.61388	1.0
135.02995	8.0
140.42159	0.9
142.98021	0.9
143.03543	1.0
161.04547	3.1
167.93222	1.0
173.97261	1.2
189.12852	1.2
191.05650	1.1
207.13963	2.5
208.13826	1.0
209.11891	7.5
225.15005	4.3
227.12918	27.6
228.13283	1.2
251.34024	1.0
285.04074	2.8
305.12708	1.9
414.57199	1.1
515.24933	8.6
533.26086	86.4
534.26373	11.2
651.28809	45.8
652.29187	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	651.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30997	0.8
55.01875	2.4
55.26763	0.8
57.03465	2.3
58.00595	3.7
59.01385	77.4
61.98831	4.1
69.03482	0.9
71.01391	59.0
71.26987	1.3
72.99317	6.3
73.02950	7.0
75.00893	1.1
83.01383	5.7
85.02969	19.2
87.00881	4.6
89.02457	52.7
90.02814	1.0
93.03492	1.0
95.01419	2.5
96.96065	1.4
99.00902	2.0
101.02454	35.7
102.02749	1.0
107.98924	0.9
111.00928	1.5
113.01741	1.8
113.02468	23.4
114.02832	1.3
116.92898	1.9
119.03522	25.2
125.02502	1.6
129.01976	1.1
131.03552	3.2
143.03566	4.0
146.03777	1.1
149.04637	1.9
159.03081	1.4
161.04541	5.5
179.05643	10.8
191.05634	20.7
192.06023	1.1
253.18034	1.4
265.18164	1.5
267.19708	1.6
278.64560	0.8
285.04208	2.0
298.53198	0.9
397.12885	1.2
433.09232	1.2
459.07376	1.3
471.33624	1.0
481.38828	0.9
489.34686	7.1
490.34708	1.4
510.92654	0.9
651.39832	100.0
652.40149	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	651.4119
Annotation	Bryonioside D
Peak:m/z	Relative Intensity
50.12179	1.2
57.30928	1.0
59.01374	6.7
61.98828	4.7
62.33355	1.1
66.95148	1.4
71.01397	6.2
71.28560	1.4
73.02968	1.8
74.03502	1.1
79.23936	1.2
85.02960	4.9
89.02432	1.3
101.02440	5.4
113.02468	2.5
212.06433	1.6
221.15466	3.6
284.95215	1.3
309.45825	1.1
365.73660	1.2
372.66531	1.2
489.35928	12.7
490.36328	2.4
651.41174	100.0
652.41693	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.9
60.17382	0.4
61.98808	0.6
63.02396	0.7
67.12221	0.6
71.01364	1.5
73.02940	0.5
83.01362	0.6
85.02965	1.6
89.02473	0.8
101.02442	1.1
105.03452	1.1
107.01396	1.1
113.02430	1.2
113.03229	0.4
131.03494	0.5
133.02980	11.0
149.02448	1.6
151.00406	1.7
159.04465	0.5
164.04825	1.3
177.01944	5.4
178.02214	0.5
183.04536	1.6
185.02441	0.9
192.04314	49.6
193.01465	0.8
193.04662	2.4
207.06653	38.9
208.03757	1.2
208.06914	2.1
211.03996	0.7
223.06148	3.1
227.03484	1.5
229.80772	0.5
240.18279	0.4
255.03012	88.9
256.03455	8.4
268.03763	1.3
283.02518	100.0
284.03082	15.8
285.03931	4.6
296.03265	5.7
297.03864	0.8
299.05853	0.7
311.01923	0.8
313.03592	1.7
325.03552	1.8
367.04703	1.5
444.05215	0.9
445.07846	5.4
446.08575	16.9
447.08994	1.5
459.07062	2.2
468.18430	0.4
491.09930	15.4
492.10190	2.4
527.71606	0.4
547.73816	0.4
653.15033	3.3
653.33966	0.7
654.24884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98834	0.3
63.02407	0.6
65.00340	0.5
69.02365	2.8
71.01388	1.3
72.30154	0.3
73.08864	0.3
85.02950	0.7
89.02413	0.4
105.03480	0.8
107.01402	0.8
107.80843	0.3
113.02481	0.5
133.02968	10.5
149.02492	0.9
151.00366	1.4
161.04637	0.5
164.04803	1.5
177.01968	5.0
180.54268	0.3
183.04587	1.1
185.02481	0.5
191.05640	1.3
192.04300	50.4
193.04599	2.3
199.03969	0.6
207.06641	36.3
208.06993	1.9
211.04028	0.7
227.03577	1.0
255.03000	91.1
256.03406	8.0
268.03806	1.7
283.02502	100.0
284.03104	17.4
285.04031	5.2
296.03284	5.4
297.03751	0.8
297.33597	0.4
299.05588	0.5
313.03537	1.6
325.03531	1.8
326.03952	0.5
327.05383	0.6
331.01282	0.3
367.04562	1.2
387.07336	0.4
445.07870	5.3
446.08533	18.2
447.08920	2.3
448.56992	0.4
459.06873	0.4
491.09906	15.3
492.10452	1.9
509.99509	0.4
533.10651	0.5
630.12750	0.5
639.03308	0.4
653.15277	2.3
653.39130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
64.46193	0.6
68.91080	0.6
69.26485	1.2
69.26878	4.1
71.01381	1.8
75.00878	1.3
85.02954	0.8
87.00869	0.7
89.02454	1.7
96.96010	2.8
101.02445	1.0
103.01538	0.7
107.01377	0.9
117.03448	1.3
119.05022	1.1
121.02996	1.4
130.69725	0.6
131.92915	0.8
134.60445	0.6
135.03020	2.2
149.02417	0.8
151.00377	2.0
162.56635	0.5
163.04016	1.7
165.09573	0.6
186.15254	0.7
191.05594	1.2
193.05035	0.6
196.05200	0.8
211.04024	0.7
239.03513	1.2
240.04305	1.7
248.72678	0.7
253.04927	0.8
268.03787	63.1
269.04538	49.2
269.07584	1.3
270.04816	3.8
281.04535	1.9
283.05774	0.8
311.05753	6.0
312.05826	1.0
331.54855	0.7
371.10092	0.7
431.09851	100.0
432.10211	12.7
515.11853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03531	1.4
57.03455	7.2
59.01386	74.1
61.98822	2.6
71.01377	16.8
72.99323	3.9
73.02943	8.2
75.00881	6.5
76.58104	1.4
78.47494	1.4
83.01398	10.5
85.02971	8.9
85.29216	1.6
87.00887	100.0
89.02454	10.1
93.03484	1.7
96.96023	4.8
97.02982	1.5
99.00911	4.1
99.04559	2.8
101.02443	14.4
103.00393	2.9
107.01431	2.3
111.00901	11.7
113.02494	7.1
114.62240	1.5
115.00400	3.4
117.02020	2.1
119.03496	4.4
127.00397	6.7
129.01964	37.5
130.99879	4.1
135.03053	3.0
135.04559	5.3
141.01982	3.3
145.01472	6.5
147.03015	53.9
150.03226	1.8
151.00406	9.2
154.99875	2.9
161.02498	1.9
161.04567	1.9
165.05641	2.2
166.28302	1.6
169.01410	1.7
173.04546	2.0
181.01413	1.9
189.04085	6.0
191.03491	1.6
191.05649	4.6
195.06676	1.9
198.31429	1.5
207.13972	6.4
209.11871	6.9
220.88495	1.7
225.14954	10.6
227.12927	28.8
233.08289	1.7
251.09235	3.4
251.13013	3.1
255.03009	5.3
268.03903	2.6
269.13889	11.7
283.02539	7.2
284.03265	5.3
285.04028	11.0
287.05658	6.3
287.15060	26.7
288.15323	2.3
329.16092	3.0
337.07788	3.4
387.11044	3.8
399.16672	5.9
417.17654	16.4
418.18094	1.8
449.10895	3.0
491.11511	2.8
492.13107	9.6
593.28058	3.7
653.23584	1.5
654.17981	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	653.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38504	2.3
57.03448	6.6
58.00585	2.4
59.01383	100.0
61.98831	21.6
69.38450	14.0
71.01391	63.4
72.99309	4.2
73.02960	30.7
83.01403	10.1
85.02953	11.9
87.00908	5.6
88.98817	3.0
89.02455	56.1
90.02847	2.2
93.03479	2.1
95.01411	4.5
96.96025	3.2
97.03014	2.2
99.00896	2.9
101.02451	47.6
109.02895	2.0
113.02457	28.8
115.00244	2.2
119.03519	22.9
125.02445	4.5
131.03522	5.4
131.07217	2.8
134.03789	2.8
135.03040	3.9
135.04514	2.4
136.72598	2.4
137.02420	2.9
138.05627	5.5
143.03532	6.5
149.04599	5.5
149.06042	2.0
149.09776	4.5
161.04578	19.8
163.04042	5.2
179.05611	24.0
187.22414	2.0
191.05682	13.9
210.67000	2.1
221.06772	4.8
222.79790	2.0
240.08012	2.0
299.05466	2.7
331.30176	2.2
487.09830	2.1
491.17804	7.5
492.17538	2.4
549.25452	9.4
567.26294	4.4
609.27478	9.3
653.23401	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.8
57.03452	6.9
59.01390	100.0
60.99310	11.9
61.98845	18.0
63.73162	2.2
71.01393	80.0
71.26719	3.5
72.99296	4.5
73.02956	19.0
75.00864	4.4
76.26496	2.5
76.48822	2.5
83.01392	9.4
85.02961	25.3
87.00893	12.9
88.98822	72.0
89.02459	49.7
93.03451	3.0
95.01419	6.7
96.96050	2.9
99.00904	6.7
101.02462	50.7
102.98602	2.8
105.01955	6.5
109.05686	2.1
113.02467	38.3
119.03533	18.8
119.05029	2.4
124.20531	2.2
125.02472	4.2
131.03542	9.0
134.03748	7.0
135.03020	5.7
135.04565	4.1
143.03554	6.2
149.04602	3.1
155.03520	2.4
159.02982	3.2
161.04594	28.3
163.52104	2.8
165.04074	3.3
175.11334	3.4
179.05670	26.1
191.05650	10.2
193.05119	8.9
221.06702	16.5
233.15445	4.8
263.07654	5.1
283.05005	2.7
387.10739	2.9
397.22839	2.3
431.10104	4.1
447.22482	14.0
448.23633	2.9
535.14954	2.7
549.25812	4.5
567.26599	26.4
568.27063	3.7
609.27728	48.8
610.27899	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	653.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	3.8
57.03452	6.9
59.01390	100.0
60.99310	11.9
61.98845	18.0
63.73162	2.2
71.01393	80.0
71.26719	3.5
72.99296	4.5
73.02956	19.0
75.00864	4.4
76.26496	2.5
76.48822	2.5
83.01392	9.4
85.02961	25.3
87.00893	12.9
88.98822	72.0
89.02459	49.7
93.03451	3.0
95.01419	6.7
96.96050	2.9
99.00904	6.7
101.02462	50.7
102.98602	2.8
105.01955	6.5
109.05686	2.1
113.02467	38.3
119.03533	18.8
119.05029	2.4
124.20531	2.2
125.02472	4.2
131.03542	9.0
134.03748	7.0
135.03020	5.7
135.04565	4.1
143.03554	6.2
149.04602	3.1
155.03520	2.4
159.02982	3.2
161.04594	28.3
163.52104	2.8
165.04074	3.3
175.11334	3.4
179.05670	26.1
191.05650	10.2
193.05119	8.9
221.06702	16.5
233.15445	4.8
263.07654	5.1
283.05005	2.7
387.10739	2.9
397.22839	2.3
431.10104	4.1
447.22482	14.0
448.23633	2.9
535.14954	2.7
549.25812	4.5
567.26599	26.4
568.27063	3.7
609.27728	48.8
610.27899	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	653.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03458	1.1
58.00603	2.0
59.01387	39.3
59.90630	0.2
60.01705	0.4
60.42227	0.2
61.98838	0.4
67.01920	0.3
68.99829	0.7
69.03458	2.5
71.01392	38.0
71.28152	0.2
71.28529	0.2
72.01739	0.5
72.70542	0.2
72.99322	3.1
73.02959	6.9
75.00890	1.1
81.03474	1.5
83.01400	4.0
83.05051	0.3
85.02961	8.9
86.00114	0.4
87.00889	9.7
87.04511	0.4
89.02457	30.4
89.41161	0.2
90.02785	0.5
91.04035	0.9
93.03490	0.4
95.01396	3.1
97.02959	6.2
99.00893	2.6
99.04536	0.4
101.02457	29.4
102.02785	0.5
103.00427	0.2
103.04015	0.3
109.02966	0.6
111.00883	0.4
111.04523	1.3
112.01683	0.4
113.02468	15.6
113.52673	0.2
114.02797	0.4
115.04050	0.8
119.03518	9.3
120.03866	0.2
121.02972	0.6
123.00916	0.4
124.01695	0.6
125.02467	13.2
126.02834	0.4
127.04041	0.5
131.03546	1.6
133.05083	0.9
137.02449	0.3
139.04076	1.0
141.01955	0.5
143.03516	5.3
144.03951	0.2
149.04579	0.9
161.04579	7.4
162.04874	0.2
167.03548	0.8
169.05113	0.6
171.03049	0.3
179.05634	5.9
180.05963	0.4
185.04530	0.3
199.06082	0.5
203.05644	0.6
217.07268	0.9
219.05046	0.4
221.06660	2.7
227.05608	0.3
235.08250	14.0
236.08665	0.8
237.22337	0.4
245.06721	0.9
253.09320	3.3
254.09798	0.2
255.23320	100.0
256.23660	8.8
263.07797	1.7
269.24918	0.6
277.09290	1.0
287.07748	3.3
288.07840	0.3
305.08798	3.7
323.09854	2.0
361.11444	0.6
379.12531	1.1
397.13535	74.9
398.13901	7.8
398.19034	0.5
415.14615	28.9
416.14920	2.9
590.76257	0.3
635.25317	0.3
653.26422	1.0
653.36774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03442	1.3
58.00587	1.6
59.01386	40.3
69.03477	1.9
71.01389	36.3
72.01708	0.5
72.99313	3.0
73.02957	5.8
75.00873	0.7
78.63151	0.6
81.03451	1.7
83.01408	4.6
85.02965	8.7
86.00063	0.5
87.00883	8.8
89.02454	31.1
91.03970	0.6
93.03477	0.4
95.01408	2.0
97.02960	7.3
98.22583	0.8
99.00906	2.0
101.02454	30.3
109.02994	0.8
111.00879	0.6
111.04528	1.3
113.02463	15.8
114.02735	0.6
115.04050	1.0
119.03516	9.1
121.02937	0.5
123.04417	0.4
124.01656	0.5
125.02460	13.2
131.03514	1.7
133.05113	0.6
139.03995	0.6
141.01947	0.9
143.03519	5.4
149.02414	0.4
149.04555	1.2
161.04582	6.7
162.83946	0.5
167.03490	0.9
169.04996	0.4
179.05647	6.3
185.04607	0.7
203.05722	0.6
217.07161	1.1
221.06705	2.3
223.91396	0.4
235.08234	14.1
236.08443	0.5
245.06715	0.9
253.09349	4.4
253.11833	0.6
255.23315	100.0
256.23682	8.7
263.07748	2.1
264.66458	0.4
269.24860	0.8
277.09338	1.1
287.07822	3.2
305.08862	4.1
323.09903	1.9
361.11310	0.5
379.12433	0.9
397.13528	77.1
398.13882	7.2
415.14606	30.4
416.14987	2.3
653.37866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92971	0.7
55.18046	0.9
59.01379	6.7
61.98817	2.0
65.00333	0.9
69.24985	5.9
71.01376	2.7
72.25950	0.7
73.02918	1.1
75.00869	0.8
83.01386	1.6
85.02954	2.1
89.02458	1.7
98.21862	1.5
101.02449	1.9
107.01372	1.1
113.02509	1.8
119.03516	0.9
125.02471	0.8
133.02985	2.0
135.02988	2.3
149.02513	1.1
151.00336	4.4
165.66753	0.8
169.22903	0.7
175.03975	1.3
179.03407	0.7
199.03976	1.6
227.03546	1.1
227.12961	2.0
255.03004	97.3
256.03445	12.4
268.03909	1.0
270.07825	0.8
283.02499	82.2
284.03220	41.6
285.04044	53.5
285.07339	0.8
286.04437	4.1
287.15024	2.9
296.03268	2.8
297.04059	2.8
313.03555	4.9
325.03485	2.4
327.05048	1.7
445.07733	5.5
446.08563	100.0
447.09213	29.0
448.09390	1.8
449.20578	2.0
463.10254	1.3
475.10556	3.7
493.11313	2.4
606.44977	0.8
655.16833	11.0
655.33459	3.4
656.17261	2.5
674.69708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1891
Annotation	Hellicoside
Peak:m/z	Relative Intensity
50.61787	0.5
52.00532	0.5
59.01389	2.2
61.98843	9.0
65.52533	0.5
66.20592	0.5
69.70474	0.9
69.70876	1.9
71.01376	1.2
75.00878	5.2
78.75839	0.5
89.02473	1.8
93.12576	0.5
95.05067	0.5
98.22517	0.6
99.00860	0.6
101.22317	0.5
105.03465	2.2
107.05020	1.2
116.92929	0.5
117.01917	0.6
118.98093	0.6
120.00548	0.5
120.01255	3.0
120.99573	0.5
121.02996	1.1
123.04559	0.6
130.08894	0.5
133.02972	15.2
134.03784	6.1
135.03053	14.5
135.04544	100.0
136.04878	4.3
137.02463	1.3
147.04544	0.6
149.02377	0.6
149.06113	1.7
150.03255	1.1
161.02444	2.9
161.06084	0.9
163.04044	0.5
165.05611	1.9
166.02736	0.5
175.03973	0.9
177.01968	9.7
177.05556	0.9
178.02690	4.1
179.03517	96.3
180.03867	4.2
181.05110	1.1
191.05606	1.1
193.05144	0.7
195.06671	0.6
205.05095	1.3
207.06731	1.0
221.04666	0.8
233.04617	1.8
243.17177	1.5
297.06265	1.7
311.07611	0.5
313.10715	0.7
315.08755	0.8
327.08685	1.1
331.11856	0.7
331.73776	0.5
339.07889	0.5
355.10724	0.6
357.09921	1.9
358.10245	1.2
373.13004	1.5
375.10898	9.8
376.11218	1.4
403.14102	0.5
429.01016	0.6
475.12347	0.6
493.13358	10.6
494.13986	1.4
535.14868	0.7
537.16364	4.8
569.01654	0.5
655.18835	21.1
656.19513	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	655.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85633	3.1
59.01389	100.0
61.98835	10.6
69.26003	25.8
71.01389	54.1
73.02956	29.0
79.78245	3.2
83.01392	13.2
85.02962	20.4
87.00879	5.2
89.02438	18.9
93.07716	3.2
97.28674	3.2
98.22500	6.7
101.02454	47.3
113.02477	26.7
116.92899	3.7
117.07120	10.6
119.03532	8.9
119.05003	3.6
135.08148	8.8
143.03522	6.1
149.04617	6.4
161.04594	10.3
206.53218	3.3
218.17792	3.1
255.03162	4.6
283.02448	4.8
339.18341	3.8
407.20847	33.1
449.21655	4.0
451.55185	3.7
639.12238	3.7
655.35345	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	655.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03269	0.5
57.03446	1.1
59.01103	1.2
59.01384	22.9
61.69917	0.5
61.98810	1.6
64.96397	0.4
67.53901	0.6
69.03453	0.6
71.01383	5.6
73.02952	5.3
75.00903	0.8
83.01389	9.0
85.02954	1.3
89.02455	1.5
93.03439	2.6
95.76734	0.5
96.96043	0.7
97.06590	1.0
99.04529	1.4
101.02448	5.0
109.02890	0.5
113.02449	2.0
121.02950	4.8
125.02471	0.9
131.03502	1.2
135.03018	0.6
135.04546	4.7
136.04771	0.7
137.02420	1.6
143.03510	1.1
143.11995	0.5
149.02457	27.5
150.02870	1.4
152.01170	9.2
153.01920	0.7
161.04509	0.7
163.04042	7.1
164.04813	18.1
165.02000	2.9
165.05147	0.9
165.12929	0.8
167.03482	1.7
167.10796	2.2
169.05093	4.0
179.05725	1.0
179.07153	7.3
180.04292	0.6
180.07506	0.5
188.33139	0.5
193.01440	23.2
194.01924	1.3
208.03784	43.2
209.04260	3.6
209.11876	2.2
223.06134	100.0
224.06459	6.6
225.14990	1.7
227.12904	12.7
228.13225	0.7
233.11858	1.2
251.12859	1.9
269.13974	5.1
285.83862	0.6
287.15063	14.4
288.15369	1.2
293.13962	0.8
311.15134	1.1
320.56274	0.6
329.16153	1.7
331.18829	0.6
335.14981	0.8
353.15991	1.2
371.17072	1.1
413.18262	1.2
431.19260	12.8
432.19629	1.8
483.99722	0.7
567.19269	0.7
637.25739	1.1
655.25977	10.6
656.26483	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	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22559	2.7
57.50109	3.1
59.01384	100.0
59.02757	2.7
61.98832	4.4
83.28184	3.2
96.96026	5.7
96.99342	4.4
98.22561	6.2
102.79732	3.1
108.67627	3.5
141.01712	55.4
168.05580	3.3
171.94699	6.9
305.37860	2.9
339.00314	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52317	4.1
59.01093	6.6
59.01386	100.0
60.09155	3.7
61.98831	4.6
66.83204	3.5
71.83154	3.6
75.48577	3.5
96.96041	9.2
141.01701	56.5
339.00336	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	656.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78158	0.7
59.01385	3.2
61.98836	12.4
65.00321	0.9
69.17693	4.8
69.18113	1.1
71.01382	2.1
85.02955	0.7
87.00883	0.7
89.02438	1.5
96.96027	1.6
98.22553	1.2
99.42390	0.8
101.02444	1.3
105.03465	0.7
107.01395	1.6
109.02956	1.0
119.03474	0.7
121.02946	0.6
125.90247	0.7
133.01413	0.9
133.02946	3.6
151.00400	3.4
173.04570	0.7
175.04073	1.2
193.04971	1.1
199.04018	1.6
217.05058	0.9
256.03741	1.2
284.03314	12.6
285.04071	100.0
286.04401	9.8
327.04889	1.2
501.11301	0.7
593.15186	64.7
594.15387	11.6
596.30823	0.7
656.36285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69991	0.3
56.70408	0.3
59.01394	0.5
61.98530	0.5
61.98838	9.4
63.02390	0.7
65.00323	0.9
83.01395	0.5
92.05853	0.3
96.96039	0.7
98.22153	2.1
99.42376	0.4
107.01397	1.4
109.02956	0.6
133.02957	3.0
134.03760	0.8
141.82834	0.3
146.68925	0.3
149.02470	0.9
151.00356	3.3
154.68941	0.3
174.24361	0.3
175.04013	1.6
177.29707	0.4
183.04411	0.6
199.03995	1.4
200.04726	0.5
201.01884	0.6
212.04794	0.4
217.05006	1.0
223.06238	0.4
227.03444	0.9
239.03442	0.6
240.04211	0.4
240.86551	0.5
241.05092	0.8
243.02956	0.6
255.02936	0.5
256.03806	2.4
258.80688	0.4
267.03168	0.5
269.04614	0.4
283.02600	0.5
284.03305	56.6
285.04056	80.4
286.04431	6.7
305.74533	0.4
309.04108	0.5
327.05103	1.2
447.09445	2.3
489.95377	0.4
593.15204	100.0
594.15509	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92945	2.1
55.24670	2.3
57.34344	2.3
59.01101	3.8
59.01384	81.6
61.98833	100.0
62.38407	2.1
63.22081	2.4
71.01385	16.7
71.27853	4.6
71.28235	2.4
73.02943	4.7
75.00845	2.6
75.36389	2.1
82.23771	3.0
83.01379	4.8
85.02946	10.8
87.00870	4.5
89.02445	9.4
89.04040	2.5
96.96048	2.8
99.04488	2.6
99.24394	2.5
101.02459	6.8
113.02439	10.7
116.13402	2.7
116.92867	2.9
126.69558	2.3
128.85271	2.4
145.01387	2.5
161.04604	4.1
177.24084	2.4
191.05580	3.9
261.93460	2.4
285.04050	7.7
345.30017	4.2
461.11826	2.6
474.53406	2.6
489.34329	38.4
490.34628	5.9
507.35336	8.7
508.35306	2.5
549.36316	3.7
565.99255	2.8
656.43451	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	657.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17740	0.3
52.93684	0.4
59.01383	0.4
66.11517	0.3
70.42772	0.9
71.01397	1.9
73.02915	0.4
77.61597	0.3
77.88939	0.3
78.22515	0.4
78.84531	0.3
78.95914	0.3
85.02973	1.2
86.85043	0.3
89.02489	0.4
93.03487	0.7
95.01414	0.8
98.87382	0.4
100.59194	0.4
101.02451	0.9
108.02187	46.8
109.02989	15.7
113.02447	0.8
121.02998	0.8
123.00895	0.8
123.04542	0.7
135.04553	0.6
151.04041	1.3
152.01170	48.6
153.01965	18.9
153.29288	0.4
154.02327	0.7
163.04015	1.0
165.01944	1.5
179.03455	0.4
181.05090	0.7
191.05611	0.6
267.46823	0.4
315.07251	100.0
316.07550	6.4
551.09863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.7
69.89789	2.4
71.01384	3.1
72.99302	2.0
73.02954	0.8
79.46780	0.6
81.03481	0.6
85.02972	2.0
95.01404	1.2
98.22528	0.7
99.00824	0.7
101.02450	1.2
108.02189	54.1
109.02985	14.9
121.03001	1.1
123.00944	0.9
123.04535	0.7
132.98264	1.0
151.04008	1.2
152.01172	51.2
153.01962	19.9
163.03992	1.1
165.01953	1.8
188.97227	2.1
191.05592	0.7
193.05037	0.6
218.78096	0.6
230.98201	2.3
242.77388	0.6
260.65817	0.7
315.07260	100.0
316.07599	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	657.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93069	7.4
51.69618	6.6
52.92343	6.7
59.01371	20.8
61.98819	31.1
71.01371	21.3
79.02158	6.6
91.00423	7.5
101.02435	10.7
123.00862	18.4
125.02467	15.3
136.82979	8.5
138.03273	26.2
151.00368	9.6
153.01949	19.9
153.05562	34.9
165.01869	18.7
166.02797	36.9
167.63101	6.6
168.04251	26.6
175.03981	8.0
176.01161	15.1
177.01942	18.4
181.05086	100.0
191.03564	21.2
191.05669	7.3
192.04314	40.5
193.01469	29.3
193.04988	8.6
195.06705	8.7
203.03551	59.0
207.06616	51.5
208.03723	36.2
209.04515	17.0
218.05847	58.0
223.06148	91.1
233.08191	77.3
284.03247	7.8
285.04062	20.3
319.28870	7.2
342.79639	7.8
350.49506	6.8
358.10052	9.4
388.87195	7.2
405.11798	66.8
417.12045	8.5
418.12726	16.3
432.14413	35.4
433.14801	16.8
471.70261	8.3
495.37582	9.6
506.18640	8.2
512.04974	8.5
565.63525	8.4
612.91571	8.6
639.20697	28.8
657.21686	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00256	2.9
57.95228	2.9
59.01387	6.1
61.98832	6.2
68.99577	3.6
69.11340	26.8
72.47935	3.1
77.63655	2.7
92.39880	2.7
116.56182	2.5
142.94124	2.9
142.97551	3.6
163.55489	3.1
225.82118	3.1
251.83664	2.9
347.84814	3.9
369.95758	3.1
505.73859	4.0
507.16440	14.2
510.71906	3.0
521.14758	3.7
539.16315	3.8
549.17682	7.3
553.17584	22.5
554.17590	5.9
581.20837	7.8
598.17151	3.6
619.32935	3.3
646.14178	3.1
657.22180	100.0
658.22467	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
61.98832	0.8
71.01388	0.7
71.70457	0.7
120.01229	3.3
123.00867	1.7
124.01675	2.1
129.51814	0.6
135.04555	0.8
137.02470	2.1
138.03217	0.9
139.04024	5.4
145.02982	1.7
147.04494	2.0
151.00388	14.3
151.03928	0.9
152.01141	1.4
153.05566	1.2
161.02489	0.7
163.03996	2.4
165.01900	0.7
165.05531	1.3
166.02734	39.0
167.03395	2.6
173.02470	2.4
174.03181	2.4
175.04028	6.7
176.04857	0.6
177.05585	2.1
178.06378	2.1
179.03452	1.0
180.04366	0.8
181.05083	61.8
182.05409	3.4
188.04868	2.2
189.05606	1.9
190.06386	6.6
190.30251	0.6
191.07068	1.5
193.05086	6.4
194.05589	1.1
195.06659	1.2
205.08717	9.4
207.06604	1.9
208.07442	6.7
223.09775	15.5
224.10210	1.0
241.05199	1.4
243.17191	1.0
246.92308	0.6
253.05046	1.4
269.04651	3.6
283.06064	0.8
284.06903	1.9
293.04837	0.7
295.44080	0.6
296.06818	0.8
297.04086	12.9
297.07059	0.4
298.04413	1.9
299.09070	1.3
309.07626	1.8
309.65366	0.7
311.05551	0.9
312.06412	15.9
313.06766	1.9
327.08743	26.2
328.09131	3.5
342.11102	44.7
343.11511	5.2
357.13440	69.8
358.13840	7.7
373.09180	1.4
375.14499	18.7
376.14755	1.9
382.38071	0.6
387.14880	1.0
403.14041	4.7
405.15573	100.0
406.15927	12.6
417.15582	10.0
418.15927	1.3
428.14371	0.6
435.16635	10.3
567.21100	2.1
639.04803	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44983	0.5
53.72764	0.5
59.01387	71.3
60.01713	0.8
61.98831	0.6
69.21481	3.2
69.21880	1.4
70.00051	0.8
90.97142	1.6
118.96677	0.7
132.98228	1.6
147.18085	0.6
150.94804	1.4
157.03574	1.3
159.01457	1.2
174.99277	25.4
175.99591	0.7
187.01015	0.7
192.95868	12.5
201.02567	19.4
202.02728	1.7
203.02390	1.0
217.00319	100.0
218.00676	3.1
276.89554	0.7
343.03763	1.8
359.01498	31.0
360.01721	3.5
374.99237	51.7
375.99585	2.2
510.08258	0.7
517.00513	8.0
518.00525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18523	0.7
58.23041	0.7
65.00332	73.6
66.00641	1.4
69.41628	3.7
82.00622	3.5
88.34463	0.6
93.03394	0.6
97.02962	12.0
98.00112	1.0
105.75353	0.6
114.06815	0.7
125.99605	83.4
126.99915	2.4
135.49146	0.6
137.41525	0.7
141.01956	45.6
142.02283	1.3
185.00929	100.0
186.01338	3.8
240.09123	0.8
246.83629	0.8
314.04703	0.7
441.15933	0.8
545.08167	0.9
579.99347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55990	1.1
52.48816	1.5
57.03454	1.1
57.68714	1.1
59.01384	2.9
62.97660	1.1
67.01901	2.5
71.01386	3.3
77.62470	1.2
85.02953	8.3
87.00876	4.3
93.03466	14.6
105.03462	4.3
109.02974	12.3
110.81335	1.2
111.04523	3.8
127.04053	3.3
133.02977	23.4
135.04544	12.3
137.02524	1.7
142.87123	1.3
151.04037	1.6
157.02931	1.7
159.04520	3.0
161.02461	10.9
173.04568	9.9
177.01927	8.5
178.02621	1.3
179.03546	7.6
185.02405	3.0
186.03235	1.4
188.01382	1.2
191.05630	100.0
192.05977	3.0
193.05215	1.5
194.36282	1.2
203.03455	4.0
215.05624	11.4
228.52171	1.3
228.64241	1.4
229.01419	5.3
249.05618	2.0
267.06696	2.0
270.17639	1.2
277.05103	3.0
293.04602	2.0
295.06097	7.4
307.08136	2.5
321.03943	2.7
339.05109	19.7
340.05261	2.1
351.07227	23.4
352.07623	2.2
353.08829	5.9
354.09326	1.4
467.10040	12.8
487.12622	1.4
564.75031	1.4
659.16077	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	659.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85871	1.2
61.69027	1.3
69.04192	3.1
69.04585	10.4
73.02956	1.5
75.00875	1.4
81.93282	1.4
82.64886	1.3
116.92886	2.7
124.21983	1.1
193.19409	1.4
195.01476	1.3
239.51236	1.4
441.19116	1.6
451.75064	1.7
465.19608	2.3
469.22903	3.2
507.20694	2.4
509.17984	1.7
511.19736	1.5
512.17133	9.2
513.17529	2.6
518.70319	1.3
528.16400	2.8
536.17114	4.0
551.19415	4.2
552.48932	1.5
555.19006	9.8
556.19293	2.4
562.53723	1.5
615.24335	1.4
627.21240	8.0
659.23676	100.0
660.23950	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.31413	0.9
55.57830	0.9
56.03930	0.8
57.03452	3.3
59.01093	1.3
59.01387	24.3
60.82071	0.9
61.98830	5.9
67.28654	0.9
69.03455	1.4
70.41457	2.5
71.01389	20.8
72.99327	0.9
73.02956	8.6
83.01386	4.7
83.05031	1.0
85.02960	13.3
87.00890	4.3
89.02464	8.8
95.01417	1.8
96.96043	2.2
97.02984	1.5
99.00903	2.5
101.02456	16.8
109.02990	1.4
111.00908	1.1
113.02461	8.4
115.60970	0.9
116.92929	1.0
119.03526	3.7
125.02512	1.1
131.03493	2.0
135.04503	1.3
143.10843	0.9
159.03030	1.3
161.04611	2.5
163.04106	1.0
179.03477	1.5
179.05617	3.7
181.05144	1.2
193.04996	1.0
194.05821	1.5
211.09830	1.1
221.06728	4.0
227.12901	1.1
249.15257	1.1
256.04007	1.0
261.36484	0.9
269.04745	0.9
284.03397	2.4
285.04050	1.2
299.05600	4.7
393.26538	2.1
411.20190	2.1
417.26947	1.2
442.45499	0.9
443.27844	2.1
453.21506	6.2
479.30176	7.6
480.30838	1.6
497.31302	28.4
498.31558	4.9
587.32867	1.3
605.33807	1.6
615.23303	5.9
623.34515	1.4
641.35590	6.0
642.35327	1.5
659.36652	100.0
660.36969	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.7
61.98837	6.4
69.03667	2.8
69.04085	5.8
71.01399	3.5
78.95898	1.2
89.02435	1.1
93.03552	0.9
101.02481	1.4
108.02196	5.9
109.02965	22.1
111.00913	1.1
113.02477	1.1
121.02946	2.4
122.03772	1.7
123.00869	1.7
123.04527	1.3
124.01682	4.5
132.02258	0.9
133.03038	3.0
134.03757	6.6
135.04559	4.3
145.03011	2.3
146.03784	5.8
147.04533	1.7
149.02464	6.0
149.06104	8.1
150.03229	14.7
151.03940	1.1
161.02490	2.2
161.04730	1.0
161.06129	2.3
162.03214	4.3
163.04039	9.4
164.04852	3.0
165.05600	6.7
170.03763	1.0
171.04520	5.6
172.05243	1.7
175.04108	1.3
177.01933	1.3
177.05571	0.9
178.02744	15.0
179.03407	1.0
179.07121	4.8
180.04359	1.3
186.19583	0.9
187.04054	1.2
188.04689	1.4
192.04390	1.5
193.03355	1.7
193.05063	20.7
195.06624	2.0
197.06006	1.2
199.04050	2.9
202.38014	0.8
212.04686	1.8
213.05565	1.2
215.03603	3.6
216.04283	2.0
227.03555	1.6
229.05069	1.1
230.05998	1.2
240.04306	6.3
241.05104	4.6
242.02216	2.3
243.03012	29.2
244.03763	16.2
245.04204	1.4
253.04909	1.0
257.04590	13.9
258.05307	21.7
259.06113	18.0
268.03839	8.2
269.04523	7.5
270.05344	7.4
271.02490	3.2
271.05524	1.4
273.07709	48.2
274.08142	3.6
283.06152	14.1
284.06738	1.8
285.04388	1.3
285.07687	12.9
286.04846	1.7
287.05652	2.4
299.05618	2.5
300.06235	1.2
301.07205	100.0
302.07703	9.5
303.08804	13.6
313.07227	1.6
317.10284	2.2
332.06833	1.1
339.08670	5.2
357.09851	10.9
358.10187	1.8
365.10126	1.6
407.11206	1.3
433.13074	2.1
451.14044	5.4
463.13495	6.5
464.13727	1.1
465.13849	1.4
481.14966	10.0
482.15234	1.4
499.16141	36.0
499.23422	1.8
500.16742	4.3
575.26471	1.2
643.21539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03463	1.4
58.00587	1.1
59.01387	38.3
61.98850	1.0
69.22767	3.4
69.23183	3.0
71.01392	26.6
72.99314	3.0
73.02962	4.4
75.00883	0.9
83.01402	3.4
85.02955	5.9
87.00891	1.9
89.02460	17.5
93.31284	1.0
95.01395	2.3
96.56934	0.9
96.96011	1.5
98.21830	1.9
99.00934	1.9
99.04554	1.0
101.02460	14.2
107.47056	0.9
113.02462	8.9
119.03531	6.5
125.02467	0.9
128.09053	0.8
132.52577	0.8
143.03485	1.1
152.97041	0.8
155.99072	0.9
161.04567	0.9
179.05576	2.1
212.92693	0.9
233.15471	3.0
240.33044	0.8
251.16478	1.2
285.04153	8.4
286.04425	1.1
328.17511	0.9
395.20587	4.0
413.21848	100.0
414.22098	13.4
418.93597	1.0
455.23004	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	13.9
57.03454	1.3
59.01387	70.1
61.82392	0.9
69.00040	5.8
69.03463	1.0
71.01389	28.4
72.99309	3.1
73.02961	7.0
75.00890	5.4
83.01399	14.0
85.02968	4.6
87.00886	5.4
89.02446	6.7
95.01395	1.2
96.96032	1.1
98.00090	1.5
99.00893	8.4
99.04562	1.5
101.02464	7.7
103.00389	1.7
111.00887	6.5
112.66253	1.0
112.98808	7.1
113.02460	9.3
115.00380	8.3
117.01940	2.6
119.03542	1.7
123.32230	1.2
124.98787	1.7
125.02458	2.0
125.99615	2.0
127.00375	11.9
129.01964	3.0
131.03516	2.6
135.03020	1.7
139.00371	3.0
145.01436	13.9
147.03046	1.4
152.22552	1.0
154.99886	78.3
156.00201	2.1
157.01431	11.9
159.02975	2.6
161.04602	1.5
165.01947	1.1
169.01486	3.4
175.02495	10.3
179.05533	1.5
182.12407	1.1
187.02522	24.4
191.05626	4.4
207.13882	2.6
209.11870	3.7
225.15045	4.4
227.12917	28.6
228.13155	2.3
229.59982	1.1
251.12875	2.2
269.14063	7.3
287.15036	100.0
288.15408	9.1
319.06836	1.3
329.16132	2.8
415.16367	1.3
445.17191	20.9
446.17587	3.5
545.76941	1.3
559.27698	4.0
577.28638	3.4
619.30048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.4
59.01093	5.5
59.01387	100.0
61.98836	10.1
63.29962	2.2
69.08622	14.7
69.09045	8.0
71.01389	70.0
72.99321	8.7
73.02941	9.3
74.46707	2.5
82.84019	2.6
82.95402	3.0
83.01399	9.1
84.95151	2.8
85.02959	19.6
87.00890	5.9
89.02463	48.4
95.01408	6.6
96.96037	6.4
96.96915	2.5
99.00904	4.4
101.02447	36.8
112.98871	3.3
113.02460	35.4
116.92799	2.7
119.03522	17.7
124.01712	3.5
125.02415	2.9
131.03484	3.9
133.02895	2.5
135.04395	2.3
143.03510	7.8
151.04060	2.7
161.02478	7.7
161.04558	13.6
178.02788	2.9
179.03508	3.0
179.05652	12.9
181.05118	3.1
191.05630	4.2
196.03769	2.6
271.09790	5.5
327.20581	2.8
347.66071	3.2
353.06982	3.4
415.23541	4.2
501.13708	3.3
559.27667	43.2
560.27948	9.7
577.28802	38.5
578.29150	8.4
619.29651	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	663.34
Annotation	Hirsutellide A
Peak:m/z	Relative Intensity
57.03463	1.7
59.01387	10.2
60.99314	1.3
61.98822	2.8
62.15159	1.1
69.21757	6.1
69.22159	2.9
69.77804	1.3
71.01400	10.5
85.02956	3.0
87.10037	1.2
89.02438	2.0
96.96041	1.4
101.02454	3.1
104.44885	1.1
104.57833	1.2
151.11327	1.9
191.14661	1.2
217.16031	3.7
391.26303	2.5
393.28125	3.2
395.29602	4.6
405.28015	1.8
407.29813	6.1
421.27640	2.1
423.29327	4.4
425.30740	12.6
426.31039	2.9
439.28616	28.3
440.28885	2.9
443.31619	2.3
525.28418	1.4
615.31812	4.7
616.31128	1.4
663.33936	100.0
664.34241	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	663.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
55.01875	4.6
55.31822	1.5
57.03452	2.5
58.00595	4.8
59.01385	100.0
60.01708	2.0
61.98840	2.1
65.53925	1.1
68.99822	1.1
71.01392	71.9
71.26983	1.2
72.01707	2.1
72.99316	6.3
73.02950	9.4
75.00873	5.0
81.03479	1.3
82.95438	2.3
83.01395	11.5
85.02965	19.4
87.00889	10.6
89.02457	62.6
90.02811	2.1
95.01405	5.3
96.96000	2.0
97.02924	1.6
99.00882	10.5
99.02644	1.2
99.04520	2.4
100.98854	1.4
101.02454	43.7
111.00893	4.2
112.98833	10.6
113.02465	28.4
115.00390	2.5
116.65634	1.2
117.02079	1.4
119.03508	29.7
125.02454	2.2
127.00378	3.0
128.03630	1.3
129.01974	3.6
131.03511	5.6
131.04373	1.1
135.03003	2.1
139.03941	1.5
139.11380	1.1
143.01611	2.4
143.03490	6.9
145.01460	10.9
147.02946	1.3
149.04565	1.9
154.99878	18.5
155.01097	1.7
157.01419	1.3
159.02989	2.0
161.02698	3.1
161.04543	9.3
173.00946	1.6
175.02478	1.4
179.05646	23.4
187.02487	4.2
189.02048	1.2
191.05547	2.8
208.17191	1.2
209.11827	1.6
210.59404	1.1
221.06691	7.4
227.12964	5.1
269.04333	1.1
269.13989	1.3
285.04205	1.8
287.15057	10.7
295.13617	3.1
314.32614	1.1
413.16220	5.8
434.61035	1.2
445.16931	3.6
471.16769	2.4
483.29373	2.2
501.30591	15.9
502.31299	2.7
561.29163	1.6
573.20020	3.4
577.29071	2.2
595.15265	1.6
599.18420	1.7
627.17230	2.0
657.21503	1.2
663.22906	33.3
663.35760	66.4
664.23206	6.9
664.36243	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2152
Annotation	fagopyritol A3
Peak:m/z	Relative Intensity
55.96595	1.6
57.03452	3.0
58.00602	3.3
59.01387	100.0
71.01391	91.4
71.01683	1.1
71.26061	1.8
72.99314	5.2
73.02956	5.2
73.13556	1.6
75.00864	2.9
82.26088	1.7
83.01388	4.7
85.02952	21.6
87.00887	6.2
89.02454	86.9
95.01399	6.1
97.02985	2.4
99.00894	4.1
99.04503	2.8
100.99791	1.6
101.02458	50.2
102.48202	1.4
111.00882	4.0
113.02464	53.8
118.61510	1.5
119.03491	16.6
121.37290	1.8
125.02496	3.5
129.01959	4.5
131.03546	5.2
142.02702	1.7
143.03513	11.6
149.04565	1.9
161.04570	20.3
179.05640	44.9
190.04932	1.9
203.05756	2.3
233.06747	2.3
323.09851	26.5
324.10291	2.4
341.10934	23.3
373.79639	1.8
395.11932	8.2
407.65640	1.7
485.15152	52.3
486.15445	5.0
503.17053	2.0
578.83423	1.8
641.09186	1.7
655.71350	1.7
658.75214	1.8
665.21497	73.3
666.22070	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	665.2152
Annotation	Lychnose
Peak:m/z	Relative Intensity
50.56192	4.5
57.45971	4.6
59.01394	31.6
64.04781	4.5
71.01385	25.1
78.95907	6.7
84.52818	5.3
85.02977	4.8
87.00913	5.7
89.02452	24.0
91.70729	5.0
92.43510	4.8
96.97007	4.7
99.04535	100.0
101.02457	13.5
113.02477	14.7
130.18350	5.1
142.63904	4.6
143.03542	42.8
159.30577	4.7
170.96918	5.7
179.05646	20.8
191.05681	22.9
243.98601	4.8
323.03021	7.3
323.09842	54.4
323.13535	10.3
324.10208	6.3
382.08118	5.7
420.70645	5.1
518.61029	5.4
665.21069	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	665.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10907	1.0
55.01881	3.8
57.03442	2.8
58.00594	2.1
59.01382	70.1
60.01707	1.7
63.84947	1.0
68.97249	3.2
68.97668	6.8
71.01391	99.2
72.01705	1.1
72.99323	3.5
73.02961	17.9
75.00871	1.4
83.01397	7.3
85.02961	30.0
87.00885	9.5
88.98830	1.0
89.02455	64.9
95.01398	6.9
96.96030	1.4
98.80883	1.2
99.00892	6.9
100.01669	1.1
101.02454	45.9
101.03133	2.3
108.27191	1.0
111.00893	3.0
112.01694	2.8
113.02458	43.1
116.92865	3.0
119.03521	27.8
125.02445	2.2
129.01910	2.0
131.03519	4.4
137.02490	1.1
143.03531	8.9
149.04567	3.5
150.03244	3.6
159.02919	5.9
161.04573	100.0
162.04901	2.1
165.01950	8.4
165.05559	5.7
170.23972	1.0
174.36739	1.1
179.05629	30.5
180.04291	3.7
180.05867	1.9
191.05663	4.3
195.06638	7.7
221.06758	3.5
233.06772	6.5
233.15503	2.2
234.37762	1.1
259.17078	1.0
278.45111	1.2
287.16550	3.4
413.21869	6.2
455.23294	1.2
467.23004	7.7
507.21140	1.2
577.66473	1.1
665.22382	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	665.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.1
57.03448	4.1
58.00596	3.4
59.01386	82.5
60.01736	0.9
63.83004	0.9
64.10761	0.9
70.61575	1.3
70.61894	2.0
71.01391	100.0
72.99319	3.8
73.02951	14.5
75.00883	1.7
80.28411	0.8
81.03464	1.1
83.01395	7.5
85.02961	28.9
87.00889	6.6
89.02457	75.6
90.02779	1.1
91.74944	1.0
93.03489	1.0
93.25639	0.9
95.01421	6.6
97.02956	1.3
99.00890	6.4
100.01700	1.4
101.02456	50.1
102.02821	2.0
111.00895	9.9
112.01662	1.4
113.02468	40.0
114.02786	1.8
116.92913	1.9
119.03516	26.9
122.92348	1.1
125.02473	1.2
131.03520	6.2
135.02983	1.5
143.03516	11.6
149.04549	3.9
159.03044	5.4
161.04581	97.4
162.04918	2.8
165.01935	1.1
179.05637	39.9
180.05881	1.4
191.05652	3.8
195.06746	1.5
205.03595	2.5
206.08353	1.3
221.06668	4.3
233.06728	4.8
233.15498	2.2
233.18677	1.0
245.15529	1.4
287.16507	4.1
295.05807	1.0
387.63855	0.9
413.21844	8.2
442.36975	1.1
467.22916	5.5
509.36609	1.0
529.12421	3.2
563.32074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	3.0
57.03447	5.4
58.00588	2.7
59.01385	100.0
61.98849	1.9
69.03455	2.8
69.09537	10.6
69.09941	3.7
71.01389	59.0
72.99316	4.0
73.02952	13.3
83.01390	11.4
85.02960	29.8
87.00884	9.1
89.02451	28.3
94.06712	1.7
95.01397	5.3
96.96030	1.8
97.02985	1.8
98.22565	4.0
99.00892	6.7
101.02452	35.9
111.00903	2.9
112.98810	3.2
113.02461	34.9
119.03535	12.3
125.02474	4.2
129.01950	2.3
131.03537	1.9
132.32616	1.7
143.03490	5.4
145.01338	2.2
154.99922	2.4
159.03053	2.0
161.04573	14.2
179.05592	2.3
185.62363	1.6
191.05634	2.4
287.15009	2.6
399.23871	10.7
401.15927	2.0
417.20221	1.9
417.24841	9.8
561.29205	97.1
562.29584	16.6
579.30280	64.9
580.30426	12.7
621.31348	15.2
622.31256	4.2
665.35651	7.5
666.40601	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	665.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93081	2.9
58.00610	3.4
59.01098	5.3
59.01385	100.0
62.54810	3.0
63.03462	3.6
68.97616	36.6
71.01390	58.5
73.02965	16.4
76.09454	3.3
80.16967	3.6
82.48826	3.1
83.01394	11.8
85.02964	23.5
87.00887	9.3
89.02449	28.3
95.01391	7.0
95.14472	3.2
99.00896	5.7
99.49866	3.8
101.02444	32.4
113.02449	33.9
119.03531	12.9
125.02468	7.4
148.86270	3.0
154.99875	5.8
161.04544	12.5
179.05659	5.5
284.03235	3.9
295.82782	3.1
299.05563	6.7
399.24069	6.1
417.24890	9.8
561.29242	93.1
562.29218	15.4
565.50171	4.6
579.30170	62.0
580.30573	9.2
621.31189	5.5
665.36096	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	665.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.6
57.03460	3.8
58.00570	2.3
59.01385	100.0
61.66241	1.4
61.98822	2.5
68.27957	1.7
71.01389	60.2
72.01746	2.3
72.99313	5.1
73.02947	9.7
75.00862	4.2
80.61398	1.4
83.01391	8.6
85.02953	17.1
87.00889	8.6
89.02457	50.1
90.02812	2.0
95.01395	6.2
99.00880	4.3
99.04508	1.8
101.02454	32.1
111.00906	3.5
113.02465	32.0
119.03513	21.5
125.02459	2.9
127.00341	1.7
129.02005	1.8
131.03526	2.2
135.03017	2.7
143.03496	6.5
147.02966	1.9
151.04071	1.9
153.01978	3.5
154.99887	2.3
161.04608	11.6
179.05673	9.3
191.05603	2.9
210.68915	1.6
227.12923	2.3
275.04889	2.1
341.23697	1.9
377.45154	1.7
399.23843	3.6
417.25018	4.5
438.61386	1.8
503.30905	2.4
547.31830	9.4
548.30969	2.4
549.32629	2.8
561.29236	39.5
562.29370	7.1
579.30237	39.8
580.30151	8.8
621.31439	6.2
665.22601	5.6
665.36743	19.9
666.37317	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03437	1.4
58.00594	1.6
59.01386	32.5
60.99288	0.6
69.21727	0.8
69.22124	3.3
71.01388	20.7
72.99311	1.4
73.02952	1.8
81.82718	0.5
83.01388	1.8
85.02960	5.1
87.00887	1.0
89.02456	16.3
95.01414	2.5
96.64060	0.4
99.00887	1.2
101.02459	11.9
101.03125	0.8
102.66610	0.5
113.02465	8.2
113.08426	0.5
119.03512	5.9
119.41795	0.5
129.65054	0.5
131.03528	0.6
143.03514	0.6
154.00563	0.4
161.04507	0.7
310.75723	0.5
402.44348	0.5
437.26990	3.6
441.21167	0.5
469.60449	0.5
561.29065	3.8
579.30334	2.7
617.33417	12.2
618.33667	2.3
665.35461	100.0
666.35858	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	665.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.6
59.01386	29.8
61.98811	4.8
68.80345	2.0
69.25501	7.7
69.25911	3.2
71.01035	1.9
71.01388	25.5
72.07636	1.2
72.61843	1.2
72.99333	1.8
73.02943	2.5
83.01376	1.3
85.02944	7.6
89.02454	17.4
95.01381	1.5
98.22488	2.9
101.02448	14.7
101.94988	1.7
113.02442	5.5
119.03495	6.5
161.04561	2.8
179.05589	3.3
206.91870	1.3
393.27893	1.8
411.28781	4.4
439.28769	1.5
441.29568	7.7
455.21628	2.3
455.28027	41.2
456.28165	8.3
490.22363	1.6
635.34174	2.0
659.02185	1.4
665.35315	100.0
666.35657	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	665.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29157	1.4
59.01387	41.4
59.32072	1.3
61.98822	5.4
65.16064	1.3
69.67271	3.7
69.67660	4.2
71.01035	2.1
71.01392	25.5
72.99279	2.1
73.02949	2.6
83.01374	1.8
85.02952	7.8
87.00875	1.6
89.02457	20.8
95.01380	1.4
96.96033	1.8
98.21923	2.3
101.02465	16.0
113.02465	11.2
115.96636	1.4
119.03544	6.8
161.04604	2.3
179.05585	3.5
189.12943	2.0
263.16562	2.5
411.28915	4.7
441.30090	3.7
455.28052	45.8
456.28271	6.3
503.33606	3.1
630.19293	1.7
635.34222	6.1
665.35541	100.0
666.36041	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	665.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98607	1.4
59.01384	16.5
61.98845	8.5
64.71549	1.5
66.83693	1.5
69.03446	2.4
71.01385	13.2
73.02946	4.2
85.02947	3.5
89.02460	5.8
89.18445	1.5
98.21791	6.6
101.02448	4.2
113.02511	3.7
123.08199	7.7
157.04916	1.7
177.90553	1.8
229.96159	2.4
279.08615	1.8
344.06354	1.6
469.29645	1.9
471.31213	8.0
485.29504	3.8
533.31006	2.2
617.33417	20.9
665.35486	100.0
666.35925	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	665.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03450	0.6
58.00602	1.1
59.01386	20.7
60.99314	3.3
61.98822	1.3
71.01391	12.5
72.99310	1.3
73.02965	2.1
77.01057	0.4
83.01405	1.6
85.02965	5.5
87.00863	0.7
87.73583	0.4
89.02454	8.2
95.01405	1.4
97.02972	0.6
99.00885	0.8
101.02454	8.6
111.00904	0.6
113.02464	5.1
116.92876	0.7
117.03490	1.3
119.03538	3.2
119.05049	0.8
136.01672	0.7
145.02971	5.2
151.04031	1.0
161.04543	0.6
163.04141	0.6
179.05609	0.6
239.40428	0.4
254.93837	0.4
275.38083	0.4
285.04089	0.9
307.08325	3.1
343.11951	0.9
444.19745	0.4
503.27356	0.5
503.33728	2.2
504.33719	0.5
605.35333	0.6
623.36658	1.2
665.39124	100.0
666.39496	20.8
666.51031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
60.99315	16.8
71.01376	0.8
71.26910	0.5
82.95560	0.3
87.00887	0.9
88.98817	100.0
89.99157	1.2
93.04326	0.2
93.99354	0.2
137.02460	0.4
148.90901	0.3
161.02473	0.3
163.46623	0.2
165.71490	0.3
269.04559	1.9
573.00513	0.3
577.15771	0.9
581.77972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
59.01383	7.0
60.99306	0.4
61.98831	1.5
63.02412	0.7
65.00346	0.6
68.39928	0.3
69.03453	0.3
70.09323	0.3
71.01393	5.3
73.02949	1.3
75.19139	0.3
83.01419	0.7
85.02962	2.3
85.92393	0.3
87.00888	0.7
88.98813	0.4
89.02465	2.5
95.01405	0.4
98.22641	0.6
99.00898	0.4
101.02456	3.7
107.01421	0.6
113.02501	1.6
119.03512	0.6
125.02454	0.7
132.02191	0.4
133.02991	1.0
134.03717	0.4
143.03560	0.5
145.02979	0.4
145.50049	0.3
146.03781	0.8
151.00414	2.2
155.05055	0.5
159.04538	0.3
161.04604	0.8
164.04817	0.4
164.45386	0.3
166.52025	0.3
179.05666	0.6
179.07191	0.8
182.03770	0.6
183.04530	1.0
185.02498	0.4
187.04147	0.4
188.04910	0.3
189.02133	0.3
199.03990	0.7
211.03979	0.7
223.05942	0.4
227.03630	1.5
255.03008	100.0
256.03488	11.5
268.03879	0.9
281.09238	0.4
283.02509	82.5
284.03201	27.4
285.04044	15.8
286.04376	1.3
292.55972	0.3
293.35938	0.4
296.03250	5.6
297.03845	1.5
311.02216	0.5
313.03577	2.1
325.03485	1.7
327.05115	0.5
367.04761	0.8
371.88614	0.3
405.09619	0.4
427.06638	0.6
429.08112	0.4
430.08890	0.3
433.09296	1.7
434.09879	0.4
445.09296	5.8
446.09686	1.2
463.10400	2.1
487.08881	11.2
488.09625	54.0
489.10223	14.6
490.10867	1.1
505.33618	0.9
507.33139	0.3
607.36884	3.6
608.37317	0.6
625.37994	2.4
637.15259	0.3
667.16669	5.3
667.39374	5.6
668.17151	1.3
668.39197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97939	2.5
55.01885	9.6
56.79722	2.6
57.03455	4.4
59.01387	98.2
60.75384	3.0
60.99306	8.6
71.01392	22.9
72.99311	4.9
73.02943	7.0
75.00877	3.8
76.26937	2.7
83.01392	26.8
85.02975	6.1
87.00887	11.7
88.98824	51.7
89.02469	8.6
99.00919	6.2
99.04520	4.3
101.02466	10.5
111.00918	19.9
112.68800	3.4
112.98824	93.4
113.02460	6.2
115.00366	7.8
127.00386	16.1
129.01959	28.2
130.21819	2.7
130.99883	10.4
135.03017	3.0
142.99857	7.3
145.01447	100.0
147.03017	40.5
150.90933	3.0
154.99886	89.0
157.62643	2.7
173.00960	4.2
175.02515	6.2
187.02516	4.5
189.04097	8.7
191.05582	4.4
207.13899	6.0
209.11801	6.5
225.15009	13.8
227.12886	37.4
228.13390	4.4
228.95755	3.1
251.12988	4.5
269.13956	16.2
270.14236	3.7
284.03403	3.4
287.15018	36.1
291.70572	3.2
339.14539	4.3
359.63065	3.1
370.83472	3.3
381.15930	3.9
397.15005	3.7
399.16669	21.9
415.15982	7.1
417.17722	86.7
418.17966	7.7
431.09985	3.2
445.17322	9.0
477.82809	4.0
545.18640	9.7
573.18164	22.4
574.18970	3.1
667.31317	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	667.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	7.0
57.03458	3.3
57.86743	1.4
59.01387	58.1
60.01731	1.5
65.78704	1.3
65.97799	1.6
68.95135	1.5
68.99814	2.3
69.13976	9.9
69.14385	2.8
69.20243	1.4
71.01389	14.8
72.99313	5.9
73.02949	6.7
75.00866	5.4
75.44433	1.6
83.01408	13.2
85.02961	3.7
87.00887	32.5
99.00912	3.0
101.02462	9.2
103.00379	7.3
111.00917	10.9
112.98829	68.5
113.02422	3.0
115.00378	8.5
117.01951	3.0
127.00394	10.6
129.01959	18.5
130.99892	6.6
139.00414	1.8
142.99924	1.8
145.01450	100.0
146.01723	4.0
147.03024	15.6
154.99883	46.1
156.00229	2.4
157.01497	3.5
171.02927	2.8
173.00911	4.3
175.02513	2.4
187.02515	3.3
189.04033	2.9
205.03506	1.7
207.13957	3.2
209.11824	4.4
225.15009	11.4
227.12903	24.9
251.12926	3.4
256.01074	1.6
269.13995	10.7
270.14294	2.2
287.15045	34.3
288.15451	4.0
293.13834	1.8
329.16074	3.1
339.14786	2.7
353.55225	1.6
381.15524	2.3
397.15085	4.1
399.16656	10.4
415.15964	3.0
417.17740	27.1
418.17926	2.4
435.18774	5.2
445.17258	5.9
471.53363	1.7
545.18719	3.6
573.18140	4.2
674.50208	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	667.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69402	1.0
58.69663	1.1
59.01086	1.0
59.01370	3.8
61.98824	1.3
66.25224	1.2
69.26447	4.0
69.26852	3.5
71.01385	3.8
75.00893	1.4
88.98817	5.0
89.02437	2.3
96.88946	1.1
101.02485	1.8
108.02180	2.2
109.02960	1.2
119.03487	1.6
120.99877	1.0
121.02969	3.0
123.04501	1.3
131.20425	1.1
133.02942	1.6
134.03720	2.5
135.02979	2.6
135.04559	2.2
145.02960	5.4
146.03763	3.4
147.04541	5.8
149.06107	2.0
158.03749	18.8
159.04420	3.6
161.02438	1.7
161.06042	2.2
165.05582	5.0
171.04539	2.1
176.04793	4.8
177.05228	1.3
179.05673	2.4
189.05569	5.7
191.05643	1.9
193.04999	1.7
206.66243	1.3
208.03787	3.8
212.10023	1.1
223.07829	1.6
234.06914	1.1
237.05780	1.2
251.07079	2.3
252.07791	1.5
253.08664	1.3
254.05838	1.6
254.09485	4.7
255.06671	2.1
262.06274	1.1
263.07129	4.8
264.08023	2.1
265.08728	4.3
267.06589	1.9
268.07446	4.7
269.08099	2.7
275.07251	2.7
277.08630	1.5
279.06595	5.4
280.07407	29.2
281.08160	9.2
282.08853	6.2
283.09790	13.6
291.06656	5.0
292.04477	1.2
292.07318	6.5
293.08194	7.3
294.09030	14.8
295.06351	2.1
295.09738	44.0
296.10114	3.8
297.07593	3.5
298.08307	5.2
307.09573	5.8
309.07700	15.4
310.08496	26.7
311.08731	2.6
313.10846	93.4
314.11215	9.3
325.10837	100.0
326.11096	10.0
343.11884	29.2
344.12222	3.3
383.27759	1.5
397.12811	2.9
432.46155	1.1
474.02026	1.1
475.16125	13.0
476.16299	2.0
487.16269	9.5
488.16461	1.5
505.17358	29.6
506.17416	4.9
527.07129	1.2
549.15759	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35087	0.1
51.22677	0.2
59.01382	1.1
65.06437	0.1
70.87951	0.2
71.01394	1.3
71.27097	0.3
71.32115	0.2
77.74494	0.2
85.02958	0.4
88.98789	0.4
89.02430	0.6
101.02458	0.3
108.02165	0.2
113.02454	0.4
116.92848	0.6
119.05011	0.2
131.04979	0.4
133.02948	0.5
134.03723	0.3
135.04529	0.9
143.04970	0.2
145.02994	3.6
146.03787	1.8
147.04547	2.2
149.02415	0.2
149.06067	0.2
158.03720	0.3
159.04521	0.4
161.02448	0.7
161.06140	0.3
162.03253	0.2
163.03973	0.4
164.04773	0.5
165.04199	0.3
165.05591	4.8
166.05965	0.4
171.04494	0.2
177.05725	0.2
183.04451	0.2
189.05544	0.2
191.05656	0.4
193.05028	0.3
207.06529	0.3
207.08250	0.4
217.06496	0.2
218.07336	0.2
219.08168	0.4
221.06082	0.5
225.09227	0.5
231.08156	0.2
232.08722	0.2
233.05995	0.3
235.07648	1.2
236.08426	0.8
237.05458	0.3
237.09184	0.6
238.06331	0.5
239.07065	0.4
245.05957	0.2
246.06847	0.3
247.07616	1.1
248.08388	0.2
249.05592	0.3
251.07191	0.7
252.07803	0.2
253.05110	0.3
253.08762	1.1
254.05949	0.8
254.09525	3.9
255.09885	0.4
258.06921	0.2
259.07559	0.4
262.06366	0.2
263.07175	2.3
264.07846	1.2
265.05664	0.3
265.08731	3.0
266.09229	0.4
267.06586	0.5
273.05743	0.2
274.06393	0.5
275.07169	2.1
276.07846	1.6
277.08673	1.2
279.06635	0.9
280.07458	0.7
281.08191	3.8
282.08978	5.8
283.09387	0.8
290.05792	0.2
291.06668	2.8
292.07394	3.4
293.08221	6.7
294.09015	13.5
295.09631	3.7
296.09958	0.3
297.11490	0.2
307.09882	1.4
308.06973	0.7
309.07721	16.1
310.08478	27.4
311.08820	2.8
313.11017	0.4
325.10843	100.0
326.11188	11.7
371.34924	0.2
385.12872	0.3
387.10861	0.2
397.13004	1.2
456.14365	0.5
487.16168	16.4
488.16574	2.7
577.19623	0.3
667.21924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31437	1.9
56.42280	1.3
59.01386	10.5
63.55591	1.6
70.38763	1.7
71.01388	6.8
71.26846	3.3
75.00850	1.9
85.02955	2.8
88.00739	1.5
88.98838	2.9
89.02469	5.1
93.03449	2.8
96.95995	1.9
101.02472	4.5
107.05070	3.2
108.02257	2.1
113.02427	1.9
119.03515	1.6
119.05039	7.4
121.02930	3.1
131.04973	1.9
133.03053	1.6
134.03757	3.7
135.02992	3.3
135.04517	2.0
145.03006	4.5
146.03760	2.3
146.63193	1.5
147.04526	3.0
149.06078	1.6
158.03743	24.3
159.04411	3.5
163.04120	7.7
165.04140	3.7
165.05591	8.2
176.04811	3.4
179.03528	2.0
181.05107	2.6
189.05658	2.5
191.05630	6.8
193.05092	3.1
208.03761	3.0
215.54558	1.5
221.01724	1.7
237.09229	2.0
251.07208	4.3
254.09486	5.4
255.10274	2.1
263.07220	4.5
265.08682	4.5
268.07288	3.6
275.07233	2.4
276.07788	1.9
277.08691	1.8
279.06601	4.9
280.07425	33.5
280.10199	2.9
281.08060	7.6
282.09003	6.1
283.09760	12.5
291.06693	2.7
292.07407	3.7
293.08255	6.8
294.08994	18.6
295.09772	61.8
296.10245	4.6
298.08487	3.3
309.07681	20.0
310.08533	27.2
311.08789	2.6
313.10840	73.4
314.11145	8.1
323.13480	9.5
325.10840	100.0
326.11087	10.3
343.11902	26.1
344.12363	2.8
353.53387	1.7
360.43359	2.2
434.97116	1.7
475.16040	14.0
487.16077	11.7
492.47385	2.0
505.17282	36.2
506.17603	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98838	2.4
69.01643	15.9
70.13776	1.9
71.01392	26.0
73.02958	17.0
83.01403	5.8
85.02950	4.4
88.98838	2.8
89.02444	12.8
96.96036	1.8
98.71943	1.5
101.02440	20.9
113.02444	8.1
115.00375	2.3
117.68508	1.8
119.03498	6.0
123.14252	1.5
125.78580	1.6
131.03545	2.5
133.01472	2.8
134.03802	2.0
143.03514	2.6
149.04564	5.0
161.04585	6.2
162.61012	1.8
168.56442	1.7
179.05597	2.6
191.05609	2.4
193.05086	2.3
197.04477	1.8
221.06711	2.5
289.12918	1.9
325.10791	4.7
339.51746	1.9
339.80197	1.6
387.11209	3.1
443.37692	1.8
686.13940	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64310	0.3
55.01876	0.7
57.03226	0.3
57.03455	4.1
59.01385	3.1
61.98826	0.3
64.83150	0.3
65.03964	1.1
69.03462	0.4
69.70316	0.3
71.01385	0.8
71.05014	0.5
71.26029	0.3
71.26418	0.3
73.02931	0.5
78.95916	0.3
81.03458	0.5
83.05038	4.9
85.02954	0.5
87.00888	5.1
88.98785	0.7
89.02450	0.5
93.03463	0.9
95.05040	1.6
96.96034	0.6
97.02963	0.5
97.06560	0.4
98.03783	0.5
101.02447	0.5
101.06091	0.5
107.04984	0.4
107.16367	0.3
109.02972	0.3
111.03822	0.4
111.04522	2.3
111.08162	1.6
113.02467	0.3
113.06094	0.6
116.92844	1.0
119.08632	0.6
121.06609	3.1
122.03715	0.3
123.08179	12.1
124.05312	1.0
124.08506	0.6
125.09713	0.3
127.04003	0.3
129.07143	0.7
134.03748	0.9
135.04552	0.5
135.08163	0.8
137.02505	0.3
137.06067	0.6
137.09750	2.1
138.06871	0.7
139.07648	2.2
143.52956	0.3
145.10233	2.0
151.07634	1.6
153.09254	1.8
159.11827	0.4
160.08826	0.3
161.02451	0.3
161.04617	0.4
161.05928	0.4
165.05573	0.7
169.08734	1.0
169.10225	1.7
171.11807	15.5
172.12157	1.3
175.11272	0.5
179.05615	0.5
185.09764	0.5
189.12862	5.6
193.05081	1.3
201.12859	5.2
202.13264	0.4
207.13904	3.2
219.13847	1.7
237.14972	20.4
238.15338	1.7
254.09885	0.3
281.13962	100.0
282.14297	8.8
295.10007	0.4
309.07803	0.8
310.08588	0.5
313.10889	0.5
325.07376	0.5
325.10803	2.0
343.11853	0.5
355.11746	2.1
387.10913	0.4
577.31952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67252	1.1
54.30210	1.2
55.01889	3.3
56.55975	1.3
57.03448	3.8
59.01388	39.5
71.01395	39.1
71.37482	1.2
72.99318	3.5
73.02946	7.7
75.00933	1.3
83.01392	5.7
85.02959	17.3
87.00858	1.6
89.02455	17.1
95.01398	3.8
99.00913	3.2
101.02457	23.5
111.00887	2.3
113.02469	15.9
119.03529	6.2
131.03525	1.4
143.03516	1.7
159.03040	1.9
161.04568	5.7
230.29613	1.3
230.31770	1.9
342.65286	1.3
343.28333	1.6
376.69196	1.4
465.26682	1.3
487.32803	2.1
505.33899	19.6
506.34424	2.0
667.39197	100.0
668.39532	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	667.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35973	0.8
54.80373	0.7
55.01882	2.8
57.03452	2.3
58.00605	3.6
59.01385	100.0
60.01735	0.9
61.98844	1.1
69.04554	1.6
69.04955	6.1
71.01390	61.4
72.01747	0.9
72.99306	4.6
73.02951	4.8
75.00876	2.1
77.31960	0.6
83.01392	4.8
85.02954	13.6
87.00876	5.1
89.02455	58.1
95.01395	5.4
98.22502	1.8
99.00913	2.2
101.02454	35.5
102.02793	0.8
107.83521	0.7
111.00950	0.8
111.45013	0.7
112.98853	1.0
113.02464	23.4
114.02911	0.8
119.03517	30.5
121.46165	0.7
125.02444	1.1
129.01967	0.8
131.03508	3.8
135.03055	1.1
143.03502	6.0
147.78871	0.7
149.04610	1.5
154.99840	0.8
159.02939	1.0
161.04596	7.2
179.05627	17.0
180.05986	0.8
191.05614	0.8
228.29243	0.7
283.22852	1.2
358.54678	0.8
487.32751	5.1
505.33823	3.7
506.34296	0.8
549.32959	12.1
550.33423	1.4
563.30743	1.1
581.31439	1.6
667.39203	69.8
668.39319	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	667.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
57.03463	3.3
58.00593	1.7
59.01384	60.4
60.01725	0.9
61.03894	0.7
61.98829	2.8
68.99830	0.6
69.03462	0.8
71.01391	52.2
71.27221	0.8
72.01736	0.9
72.99323	4.0
73.02957	8.9
75.00872	2.7
83.01400	6.1
83.05006	0.7
84.81607	0.6
85.02964	18.3
87.00887	4.5
87.04517	0.8
89.02455	31.2
90.02797	0.8
95.01401	5.1
96.96035	1.0
99.00909	4.1
101.02455	30.3
102.02824	1.3
107.08895	0.7
110.50533	0.6
111.00890	2.2
112.98849	1.3
113.02464	20.1
114.02821	0.9
116.92897	0.7
119.03505	12.9
119.04987	0.7
124.45477	0.7
125.02451	1.3
129.01994	0.9
131.03537	1.8
135.02995	1.7
135.04559	1.0
143.03508	2.3
145.01465	1.5
145.03001	1.8
151.00348	1.2
154.99901	1.3
159.03027	1.8
161.04584	7.2
179.05641	6.9
188.05975	0.8
191.05627	1.2
227.12935	0.7
255.03078	0.7
283.22858	0.9
284.03351	1.0
285.04028	3.2
286.04221	0.8
307.08411	1.3
325.27695	1.2
343.28586	2.2
487.32770	9.7
488.32877	4.4
505.26917	0.6
505.33853	17.6
506.34348	3.5
549.32605	4.5
563.31134	1.9
581.31732	1.3
637.22699	0.8
667.39172	100.0
668.39435	21.8
699.70313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86416	0.7
59.01373	2.3
61.98799	0.6
70.83705	1.2
71.01389	3.9
73.02940	0.7
75.00869	2.2
75.01288	0.6
87.00855	0.9
89.02431	1.7
93.03450	1.7
101.02494	0.7
112.69788	0.7
113.02469	0.7
117.01945	1.3
117.03436	0.7
121.02967	10.2
122.03771	4.7
124.83801	0.7
132.02193	0.7
133.02962	1.6
134.03757	62.2
135.03029	1.3
135.04051	2.0
137.02455	8.8
139.04019	2.4
147.04527	1.2
149.02437	14.9
149.06096	18.2
150.03239	39.5
151.03709	1.1
160.01619	0.8
164.04811	2.6
165.05579	45.9
166.05907	2.1
175.04047	0.9
176.04770	0.8
178.02722	33.0
179.03192	2.2
180.04266	2.2
181.05000	0.7
181.44341	0.7
189.05672	0.6
193.05072	100.0
194.05402	5.0
195.06638	21.5
205.06516	1.5
221.06174	1.2
233.06062	1.6
234.06804	1.7
235.05920	1.6
238.06354	0.9
239.07152	2.8
250.06274	3.6
251.06895	1.1
253.08716	1.2
254.09447	1.6
265.08978	1.0
267.06628	2.3
282.09009	11.7
283.09375	1.2
297.11246	1.6
341.10294	31.2
342.10739	3.5
389.12460	52.4
390.12817	5.8
463.89764	0.7
489.13989	1.1
496.80164	0.6
507.15140	11.9
508.15320	2.1
511.11514	0.7
549.16663	1.0
551.17651	7.7
552.18207	1.0
669.20422	40.2
670.20569	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	669.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.0
61.98830	2.3
67.47151	1.1
68.99156	6.3
68.99574	4.6
71.01382	6.2
73.02988	1.1
78.59449	1.2
78.95910	2.7
85.02918	1.9
85.87181	1.0
89.02458	5.5
93.03492	2.7
98.22604	2.1
101.02448	2.7
101.66695	1.1
106.04206	1.1
113.02494	2.9
115.00378	1.1
119.03495	1.7
119.05000	1.3
120.01260	3.3
121.02984	5.5
122.03732	3.9
123.04541	7.5
128.03542	1.2
133.02989	3.0
133.06572	1.1
134.03763	83.8
135.03096	2.2
135.04643	5.9
136.01649	2.5
137.02495	9.3
139.04047	2.6
145.03008	1.0
145.05135	1.3
145.06239	1.3
146.03767	5.6
147.04544	8.1
148.05247	1.3
149.02449	13.5
149.06097	20.6
150.03246	38.6
150.06480	1.4
151.04045	26.7
160.01691	2.8
161.06151	7.2
162.03221	2.2
163.04042	1.7
163.07695	1.8
164.04845	5.9
165.05594	46.2
166.05890	1.5
173.05937	1.2
174.06837	1.4
175.04018	2.6
176.04774	4.3
177.05553	1.9
178.01181	2.3
178.02731	34.3
179.03235	2.6
180.04257	2.4
181.05136	11.9
191.07185	6.5
192.04266	3.9
193.05084	81.8
194.05382	3.9
195.06642	10.9
207.06613	2.2
219.06548	2.6
235.06142	12.3
239.07114	1.4
253.08444	1.3
267.06589	3.2
281.14023	6.9
282.08997	7.7
282.14334	3.1
297.11618	1.8
325.10873	13.5
327.12479	7.0
341.10410	13.4
342.10703	3.8
345.13556	1.4
355.11694	2.2
359.48029	1.3
383.11252	2.9
389.12469	100.0
390.12787	9.7
417.15622	3.5
418.15543	1.5
431.13443	4.2
447.16867	3.1
499.33109	1.2
499.63733	1.2
507.14636	2.8
551.17780	57.8
552.18231	10.4
579.20996	2.2
669.20453	16.2
670.21039	3.5
675.72955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.4
61.69978	1.0
61.98825	3.3
66.46074	1.5
67.64985	1.2
69.24886	9.0
70.57533	1.0
71.01389	5.3
75.00876	1.5
83.28512	1.2
85.02976	1.8
87.00888	1.5
89.02473	7.2
93.03456	2.6
99.04514	1.6
101.02455	2.4
111.00861	1.4
112.14978	1.2
113.02456	2.6
119.03497	1.1
119.05042	1.9
120.01278	2.8
121.02982	6.5
122.03726	5.1
123.04572	9.2
129.03490	2.0
133.02989	3.6
134.03764	77.7
135.03055	2.2
135.04611	6.9
137.02455	9.6
139.04022	3.6
146.03734	4.6
147.04546	9.9
148.05324	1.3
149.02466	18.3
149.06110	21.8
150.03239	34.6
151.04036	29.2
151.05254	1.3
152.04411	1.0
153.01965	1.3
160.01736	2.2
161.04861	1.2
161.06078	7.3
163.03998	2.7
163.07689	1.4
164.04890	6.5
165.05585	46.7
166.05885	2.5
171.11734	1.8
173.06111	1.3
175.04068	3.0
176.04805	3.8
177.02054	1.7
177.05540	2.0
178.02745	40.4
179.03253	2.5
180.04314	3.2
181.05080	12.6
182.05389	1.1
191.07141	7.9
192.04337	3.7
193.05080	84.9
194.05444	3.1
195.06645	9.9
199.05223	1.1
207.06657	1.7
219.06728	1.6
235.06120	15.4
237.15076	2.0
239.07187	1.6
267.06662	3.4
281.14017	7.2
282.09033	6.9
297.11267	5.0
315.12390	2.2
325.10770	12.2
326.11172	1.6
327.12436	8.2
341.10352	19.5
342.10928	2.1
345.13406	2.0
362.70981	1.2
383.11337	1.7
389.12460	100.0
390.12738	12.9
402.88348	1.2
417.15665	4.0
431.13535	4.8
436.85901	1.2
447.16254	3.1
507.14661	1.9
507.19119	1.6
551.17804	57.6
552.17932	7.9
579.20801	3.0
627.10193	1.5
669.20465	15.4
670.20917	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
55.82762	1.5
57.03427	1.5
59.01384	44.0
61.98829	7.1
71.01392	42.4
72.42874	1.5
73.02965	9.6
83.01383	6.9
85.02969	13.5
87.00877	2.1
89.02454	23.7
90.83788	1.6
95.01381	3.5
98.22529	4.6
99.00928	2.5
101.02456	28.6
102.40223	1.8
111.00905	2.4
113.02463	16.7
119.03510	6.6
159.03053	2.1
161.04643	3.4
179.05641	2.9
187.10461	1.5
229.35237	1.5
231.15837	1.5
271.20605	1.7
277.90405	1.9
285.04153	2.6
345.30194	2.3
496.91556	1.8
507.35498	19.1
526.79578	2.1
601.26819	1.8
669.40784	100.0
670.40887	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	669.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60392	0.4
51.93189	0.5
55.01887	2.8
57.03459	2.2
58.00588	1.2
59.01384	25.6
69.03452	0.5
71.01387	24.5
71.33985	0.5
72.62653	0.4
72.99311	1.3
73.02950	5.8
75.45826	0.5
83.01404	3.9
83.41032	0.4
85.02962	12.2
87.00884	1.7
89.02450	9.8
95.01409	1.9
99.00884	2.3
101.02454	17.7
102.02744	0.5
111.00883	1.7
113.02473	8.5
113.03210	0.3
119.03514	2.9
125.02424	0.5
129.01962	0.5
159.02986	1.1
161.04556	1.9
179.05655	0.6
228.72731	0.5
238.40959	0.5
345.30191	1.3
350.24149	0.4
353.44559	0.5
507.35318	9.1
508.35699	1.4
669.40729	100.0
670.41022	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	671.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.3
57.03456	3.6
59.01389	100.0
60.01727	2.3
61.98831	8.1
71.01399	27.8
71.27065	3.3
72.99309	5.0
73.02952	10.4
75.00890	5.6
82.64556	1.8
83.01395	27.7
83.05012	2.1
85.02964	8.8
87.00883	34.0
89.02452	7.0
93.03487	2.6
96.96034	2.7
99.00877	3.5
99.04534	4.1
101.02452	13.7
103.00408	3.1
106.41754	2.2
109.02989	2.5
111.00880	11.0
112.98829	41.5
113.02454	6.6
115.00394	14.6
119.03506	2.3
125.02467	2.2
127.00414	10.3
129.01970	18.1
130.99864	4.6
139.00359	2.3
142.99896	6.6
145.01453	21.9
147.03047	21.4
154.99886	68.4
156.00168	2.6
157.01424	6.8
163.46036	2.4
175.02577	13.8
189.04088	3.9
191.05676	7.1
207.13913	3.3
209.11844	6.7
213.00612	2.5
223.06161	7.7
225.14905	17.1
226.15063	2.5
227.12950	38.7
228.13251	2.8
269.13947	12.7
285.04172	4.6
287.15033	46.3
288.15491	4.6
381.15637	2.6
397.15106	5.9
399.16544	12.4
415.16168	4.5
417.17764	55.5
418.18011	6.0
435.18787	16.2
445.17273	24.6
446.17340	3.1
454.79871	2.3
544.67920	2.4
545.18896	5.0
573.18286	26.2
638.81909	2.5
646.60986	2.4
671.33484	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4022
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03449	0.5
58.50391	0.3
59.01374	1.6
61.98838	0.7
69.18782	0.4
69.39594	2.3
71.01366	0.7
79.64682	0.4
83.02944	0.3
85.02951	1.1
87.00867	0.6
97.06555	0.4
99.04479	0.4
101.02430	0.7
111.08108	0.4
113.02434	0.6
113.06093	0.5
123.08211	0.6
135.08209	0.8
136.05336	0.6
148.05232	0.5
149.06081	5.6
150.06883	43.2
151.07188	2.2
161.09714	0.6
162.06879	0.8
163.07651	11.6
164.08440	6.1
176.08481	2.4
177.09123	1.2
178.09999	3.6
179.10796	11.8
180.11209	0.6
197.15450	0.4
215.80168	0.4
221.37457	0.4
225.69574	0.4
234.71445	0.4
283.22870	1.2
285.03976	0.6
297.17169	0.4
327.25391	1.0
329.23331	5.8
369.13980	0.5
430.31033	1.1
445.33258	1.1
446.33981	0.4
447.34940	0.6
448.31970	8.5
449.32333	1.4
462.33597	1.6
463.34311	11.2
463.40732	0.7
464.34879	1.4
490.32965	2.5
491.33600	3.5
508.34271	3.1
509.34885	30.1
510.35263	4.7
551.35339	0.5
671.40179	100.0
672.40485	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77322	1.1
50.82762	1.2
56.87851	1.1
59.01375	2.1
61.98829	1.6
70.54547	2.6
70.54881	1.7
94.68160	1.3
99.04575	1.3
102.50942	1.1
149.06065	5.9
150.06879	44.0
163.07654	9.7
164.08401	4.8
176.08553	2.0
178.09981	3.0
179.10803	14.4
195.36050	1.2
206.31065	1.3
329.23361	4.5
329.73553	1.3
448.31891	9.2
462.33173	1.3
463.34393	9.7
464.34500	2.9
490.32697	1.8
491.33719	3.5
508.34171	3.7
509.34897	32.0
510.35156	5.0
671.40210	100.0
672.40594	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	672.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42186	0.5
59.01384	2.5
61.98835	4.7
71.01375	1.8
73.02945	0.6
75.00879	0.7
88.12847	0.4
89.02396	0.6
94.29651	0.5
101.02458	0.7
107.01418	0.6
111.00873	1.6
113.02464	0.9
120.95859	0.5
120.99670	2.0
121.02971	1.0
125.02428	0.5
133.02969	1.8
149.02415	1.3
151.00409	1.4
167.07181	3.6
168.07544	0.7
175.04062	0.7
195.06638	1.3
199.03961	1.1
201.01991	0.7
209.04323	0.5
211.04079	0.5
217.05127	1.0
241.05009	0.7
255.03036	3.8
256.03720	1.3
283.02545	1.4
284.03293	25.9
285.04068	100.0
286.04425	6.9
327.04907	0.9
329.12482	4.7
330.12811	2.3
350.35779	0.6
447.09366	72.0
448.09695	9.4
509.20453	1.5
510.20697	1.9
609.14679	38.9
610.14893	6.5
655.19501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.2
63.02409	1.0
65.00331	0.8
69.25623	1.2
69.26028	0.5
71.01365	0.4
73.02953	0.3
76.42895	0.2
83.01390	0.5
90.06567	0.2
92.97485	0.3
93.85042	0.2
97.67743	0.2
98.16811	0.2
105.03474	0.3
107.01398	1.5
109.02953	0.9
121.02947	0.8
133.02965	5.1
139.11308	0.2
149.02463	1.5
149.83688	0.2
151.00383	3.5
171.04552	0.3
175.03990	2.2
177.01903	0.3
185.06149	0.2
198.03145	0.4
199.04025	2.0
201.01933	0.7
211.03947	0.3
213.05563	0.7
215.03526	0.4
217.05101	1.5
223.04001	0.2
225.11310	0.4
227.03325	0.2
229.05104	0.3
241.05046	0.7
243.02946	0.6
243.12416	0.4
255.03004	0.3
256.03830	0.3
257.04556	0.5
267.02957	0.2
284.03296	5.3
285.04074	100.0
286.04410	7.7
387.16718	0.3
402.30823	0.2
509.01550	0.2
611.20978	0.3
613.19348	3.4
614.19446	0.7
655.20654	1.6
673.21423	24.2
674.21802	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	673.2164
Annotation	Glycobismine-E
Peak:m/z	Relative Intensity
50.11660	1.6
58.11278	2.1
61.98833	3.5
71.28488	2.2
73.02956	2.2
96.96044	2.6
111.90237	1.8
302.91580	2.0
452.11560	3.5
466.16522	2.2
467.13434	3.7
481.18835	2.3
483.13663	2.9
483.20526	6.5
495.12427	2.1
510.15533	8.7
511.16016	3.6
523.16547	3.7
525.17755	3.9
526.14972	15.5
527.14868	4.7
537.17712	2.3
538.18945	2.0
542.14783	2.6
550.14905	3.8
553.22064	2.8
555.58954	2.0
569.17010	13.5
570.16937	5.1
595.59943	2.5
641.19189	9.0
642.18890	1.9
673.21613	100.0
674.21912	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.0
59.05462	2.1
60.99889	2.1
61.98830	5.7
69.70605	8.9
69.71028	4.2
74.42236	2.2
80.05064	10.4
80.26697	2.0
88.34671	2.5
94.06639	5.6
104.05045	3.5
106.06641	7.0
107.03762	6.6
112.17320	2.0
120.04562	3.8
122.06139	73.7
123.06492	2.3
130.64304	2.1
132.04619	3.3
134.06129	15.3
152.07196	74.2
174.05605	5.5
180.06670	2.9
188.07182	10.2
213.10345	19.7
225.10329	5.8
226.11099	3.0
227.11800	2.8
237.10481	3.4
239.11958	15.5
241.13475	11.0
245.12935	12.7
249.06706	2.6
249.10312	2.8
250.07437	4.2
251.08231	4.4
251.12013	3.5
253.09836	7.9
263.08273	5.2
265.09772	7.6
266.10361	2.8
267.11322	7.0
277.09933	3.7
278.07245	5.1
278.10538	4.6
279.07782	6.5
285.12482	29.1
286.12930	3.1
292.08603	3.1
293.09320	24.0
293.12936	9.1
294.10062	9.3
295.10870	21.3
306.09909	3.4
307.10776	5.6
313.12009	4.0
316.14764	2.3
323.10352	9.8
325.12082	2.9
337.08310	14.2
338.09067	4.2
339.09760	5.0
345.14859	2.6
351.09805	3.8
355.13223	2.6
356.13916	2.3
358.15552	9.6
359.16229	2.9
370.11880	3.2
384.13504	3.5
386.15271	2.7
400.16705	15.6
401.17047	2.6
412.16547	5.5
418.17694	3.4
459.18094	6.1
460.18765	10.1
474.20389	10.0
476.18549	4.6
503.16891	3.4
504.17801	28.3
509.04303	2.6
518.19257	32.7
519.19806	7.1
521.25482	3.3
523.23914	3.8
536.20038	5.6
550.21967	40.8
551.22076	6.5
565.15540	3.0
565.24579	83.3
566.24988	16.5
597.27075	8.4
609.23560	41.1
610.24066	12.7
641.26227	100.0
642.26593	26.5
673.29352	15.2
674.29828	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	674.9936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33691	0.5
52.59050	0.5
53.96370	0.5
59.01386	56.6
60.01720	0.9
61.98821	1.6
69.53194	2.9
72.85365	0.5
90.97134	0.9
94.30531	0.5
97.27484	0.5
98.21812	0.7
118.96615	0.5
132.98212	1.7
163.31993	0.5
174.99268	26.5
175.99561	0.6
180.55836	0.6
192.95963	2.7
201.02562	5.2
202.98824	0.7
217.00323	100.0
218.00696	2.5
359.01550	8.5
360.01724	1.4
374.99255	62.8
375.99667	3.5
437.88876	0.6
517.00580	1.7
532.98206	14.0
533.98352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	24.7
61.98840	12.8
66.01790	4.7
70.82436	8.5
71.01377	14.6
78.90456	5.0
80.05089	7.5
82.22592	6.0
85.02957	8.0
89.02406	6.0
94.72205	5.2
108.04552	5.1
114.38403	4.7
116.92795	6.1
122.06161	37.6
136.04070	9.7
150.05600	12.1
150.70454	5.5
152.07187	43.8
197.88278	4.9
201.10327	12.8
212.31792	5.1
227.11974	5.6
229.09801	22.4
239.11882	11.6
245.12897	11.8
247.10919	7.9
273.12491	7.8
297.12122	6.7
301.12033	20.6
312.36047	5.1
313.12149	9.3
319.13019	84.5
323.10577	7.7
355.12979	13.0
355.17188	5.5
374.15292	12.5
392.16049	9.1
416.16245	9.0
487.56635	5.8
556.87018	5.7
557.24243	16.9
599.25116	81.0
600.25067	16.5
643.24152	100.0
644.24255	18.7
675.26544	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.03466	1.3
58.00604	2.4
59.01388	47.8
60.96994	0.2
66.38209	0.2
67.01896	0.3
68.99813	0.7
69.03459	2.5
71.01392	44.6
72.01720	0.6
72.99322	3.7
73.02959	7.7
75.00884	1.1
81.03476	2.1
82.28683	0.2
83.01395	5.8
83.05029	0.5
84.02198	0.3
84.36137	0.3
85.02964	10.3
86.00092	0.4
87.00889	11.4
87.04487	0.3
89.02459	39.8
90.02752	0.6
91.04034	0.6
93.03458	0.5
95.01410	3.5
95.05010	0.3
97.02967	8.1
97.79961	0.2
98.21802	0.6
99.00900	2.8
99.04539	0.6
101.02459	38.1
102.02800	1.0
103.00447	0.2
103.04033	0.5
109.03004	0.6
111.00900	0.6
111.04555	1.3
113.02467	18.6
114.02797	0.6
115.04028	1.0
119.03524	12.2
121.02995	0.8
123.04475	0.3
124.01684	0.7
125.02470	14.9
126.02787	0.4
127.04027	0.5
127.07643	0.4
129.01962	0.3
131.03529	2.1
133.05101	1.5
137.02481	0.7
139.04073	1.2
141.01938	0.7
143.03522	7.1
144.03864	0.3
145.05058	0.3
149.02455	0.3
149.04547	1.3
161.04588	9.0
167.03497	0.8
169.05099	0.5
171.03038	0.3
179.05638	7.4
180.05968	0.3
185.04613	0.6
199.06206	0.6
203.05692	0.7
217.07182	1.0
219.05124	0.6
221.06699	2.6
233.22795	0.4
235.08257	14.2
236.08604	0.7
245.06691	1.0
253.09320	5.1
259.20688	0.5
263.07706	2.1
275.20087	0.6
277.21765	100.0
278.22104	11.1
287.07700	3.3
291.23328	0.6
305.08856	3.7
323.09879	1.6
361.11432	0.6
379.12421	0.9
397.13556	77.7
398.13858	6.8
415.14615	35.2
416.15005	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	675.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03444	1.5
58.00590	1.9
59.01388	45.3
60.01689	0.4
65.51480	0.4
69.03468	2.9
71.01390	45.6
71.26979	0.7
72.01696	0.6
72.99323	3.6
73.02954	6.9
75.00876	1.4
81.03470	2.1
82.16507	0.4
83.01394	5.4
85.02480	0.9
85.02963	10.5
87.00885	9.4
89.02456	39.6
90.02769	0.7
91.04025	0.9
93.03461	0.4
95.01398	2.8
97.02372	0.6
97.02962	7.0
99.00901	2.5
101.02455	34.4
102.02804	0.9
103.04096	0.4
104.15175	0.4
109.02983	0.9
111.04543	1.4
113.02467	18.5
114.02754	0.6
115.04007	0.9
119.03522	12.4
121.02972	0.8
125.02463	14.1
127.04051	0.6
131.03516	1.5
133.05070	1.8
139.04025	1.4
141.01967	0.9
143.02454	0.5
143.03519	7.5
149.04590	1.5
161.04578	9.0
167.03497	0.7
179.05640	7.1
199.06221	0.7
217.07204	1.4
221.06729	2.7
235.08240	13.9
236.08560	0.7
245.06628	1.1
253.09280	4.7
263.07776	1.5
275.19647	0.5
277.09326	1.2
277.21750	100.0
278.22113	11.2
287.07755	3.2
305.08823	3.3
323.09763	2.1
379.12463	1.5
397.13547	74.0
398.13919	7.8
411.24686	0.4
415.14615	36.2
416.15051	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	675.3607
Annotation	Denin
Peak:m/z	Relative Intensity
52.11041	0.6
55.01877	1.2
58.84601	0.6
59.01385	10.2
59.85204	0.6
60.10600	0.6
66.93182	0.7
71.01387	12.2
71.50079	0.6
72.36951	0.7
72.99315	0.6
73.02964	4.3
75.00872	0.7
83.01401	1.8
85.02956	5.3
87.00885	2.5
89.02461	2.6
93.03503	1.0
96.96024	4.2
97.02972	0.7
98.22609	1.2
99.00913	3.1
101.02449	7.3
113.02470	2.8
117.01957	1.1
121.02964	2.4
126.97157	0.7
139.04105	0.7
149.02458	11.9
153.01918	0.7
164.04816	6.6
165.05602	0.9
179.07217	0.7
191.05598	1.0
195.06667	0.9
223.06154	14.2
255.80937	0.6
269.04773	0.7
285.04150	0.8
286.52768	0.7
375.25571	0.8
391.24728	0.8
393.26575	2.5
398.45444	0.9
417.26514	0.8
441.26508	1.2
451.32990	2.5
459.27954	1.0
495.29724	1.2
513.19104	0.9
513.30768	24.6
514.31134	4.6
575.32153	1.1
603.32288	1.4
621.33136	2.1
639.34155	0.9
675.36005	100.0
676.36292	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94949	0.4
54.34515	0.4
59.01392	3.4
62.86197	0.4
67.01893	1.0
69.03450	1.1
70.58167	1.0
71.01385	5.0
73.02960	0.9
81.03463	0.9
83.01401	0.9
83.25290	0.6
85.02958	17.2
87.00880	3.2
89.02419	0.8
93.03471	7.6
95.01401	0.9
99.04528	0.7
99.92718	0.5
101.02441	0.9
109.02985	1.3
111.04533	1.7
112.94219	0.5
113.02459	1.7
127.04035	3.8
132.02168	1.2
133.02966	5.3
134.03729	1.8
135.04541	25.4
136.04878	0.7
137.02469	0.8
159.04474	0.9
160.01685	2.0
161.02469	18.0
162.02824	1.1
163.24063	0.5
171.03027	0.8
173.04567	2.2
175.04053	0.6
177.01981	0.8
177.05550	1.2
178.02751	2.3
179.03516	24.8
180.03845	0.9
191.05635	100.0
192.05983	4.3
221.04576	2.3
323.07465	2.4
341.08832	1.1
378.71933	0.5
383.09836	2.8
485.13052	28.8
486.13483	4.1
503.14078	5.9
518.51324	0.6
677.19385	53.9
678.19757	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	677.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99428	0.9
55.33469	0.9
57.03465	1.1
58.00574	1.0
58.60112	0.9
59.01385	17.1
67.01908	3.3
69.18457	1.7
69.18855	6.6
70.22522	1.0
71.01394	10.5
71.10189	0.9
75.13818	0.9
78.43874	0.9
85.02960	5.5
86.07154	1.0
89.02457	8.6
93.03466	26.6
94.03808	1.1
95.01460	1.1
101.02472	6.1
109.02940	1.1
111.00925	1.3
111.04573	4.6
113.02470	2.7
119.03532	2.8
133.03001	4.2
134.03763	7.3
135.04549	88.9
136.04913	3.5
136.63089	1.1
137.02464	5.4
155.03517	4.0
159.04565	1.7
161.02505	3.1
173.04565	40.5
177.02037	1.0
177.05608	1.3
178.02769	4.5
179.03526	65.4
180.03889	3.6
191.05646	24.2
192.05995	1.8
221.04559	2.1
234.71236	1.1
323.07919	2.7
323.13327	4.7
353.08841	3.2
445.30194	0.9
459.15112	1.4
485.12686	1.1
503.14154	100.0
504.14505	11.6
523.52893	1.1
626.76031	1.2
677.19434	53.4
677.30890	2.7
678.19781	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	677.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30525	0.7
57.78959	0.6
59.01383	7.3
61.98828	0.6
63.24620	0.7
63.44430	0.8
67.01882	1.5
67.22698	0.6
69.03465	1.1
69.05782	6.5
71.01389	5.1
73.02971	1.2
78.93897	0.6
81.03445	1.0
83.01389	0.9
83.05056	1.0
85.02477	1.1
85.02964	15.2
87.00890	3.6
89.02438	1.6
93.03471	8.0
96.96035	1.1
97.01224	0.8
98.21751	0.9
99.00890	1.1
99.04531	9.3
101.02451	1.6
104.11961	0.7
109.02946	2.3
111.04520	1.3
112.98787	0.8
113.02466	2.6
115.88959	0.7
117.03439	0.8
121.02958	1.1
127.04037	4.1
132.02203	1.4
133.02991	5.8
134.03795	5.5
135.04543	25.8
136.01685	4.0
136.04887	1.4
137.02469	2.0
143.03490	2.1
149.02440	1.7
149.06064	1.1
150.03256	4.3
151.04086	3.6
155.03558	0.8
159.04523	0.9
160.01663	1.7
161.01128	1.1
161.02470	20.2
161.04543	1.3
162.02777	2.0
165.05573	3.2
171.02985	1.3
173.04543	2.4
177.05539	1.2
178.02722	2.3
179.03526	26.5
180.03889	2.0
186.62665	0.8
191.05634	100.0
191.44556	0.7
192.05975	4.3
193.05070	2.2
195.06618	5.3
221.04613	2.1
241.05141	2.0
251.02187	0.7
256.07468	2.6
271.09857	3.6
319.12170	1.8
323.07758	2.9
341.08759	0.7
353.06763	1.4
383.09863	2.6
467.17261	2.4
485.13095	19.5
486.13306	2.5
503.13858	3.3
508.71252	0.8
515.19489	2.4
527.12042	1.2
677.19403	56.1
678.19745	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	677.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	5.0
56.56329	2.1
57.03459	3.5
59.01386	23.7
61.98826	4.0
68.99821	3.6
69.09164	12.3
69.09569	3.4
71.01388	17.8
72.99312	6.9
73.02975	5.3
75.00899	9.9
75.01315	1.8
75.69595	1.7
83.01392	12.0
84.99345	2.1
85.01038	2.4
85.02942	8.9
87.00899	8.6
89.02452	6.5
89.44781	1.6
95.83230	1.8
96.96037	7.1
99.00902	7.4
101.02469	8.6
103.00420	4.7
111.00900	11.9
112.98826	54.9
113.02451	6.4
117.01937	3.0
119.03530	2.3
127.00389	4.8
129.01978	4.8
135.03021	3.8
139.11331	4.1
143.03514	3.0
145.01448	87.9
146.01781	2.6
153.01967	1.8
154.99881	16.1
163.11461	2.0
169.01497	8.0
181.12393	2.2
183.10129	3.0
187.02525	3.1
191.05727	2.5
204.00832	2.0
211.04176	2.0
225.11333	4.7
243.12302	2.5
255.96611	2.1
285.03964	2.4
362.43616	2.0
471.16849	15.5
472.17401	3.1
485.24039	4.1
489.18637	1.9
583.18280	4.0
597.91614	1.9
599.18054	14.4
627.17102	10.0
628.17969	2.7
659.20044	19.3
660.20178	3.7
677.21338	100.0
677.34235	11.1
678.21826	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	677.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30204	0.1
59.01371	0.7
61.98844	0.2
69.12807	1.5
69.95094	0.1
71.01387	1.0
71.74030	0.2
85.02966	0.3
89.02447	0.3
90.88311	0.1
99.04528	100.0
100.04861	2.5
101.02449	0.6
109.67055	0.2
111.55908	0.2
113.02443	0.4
119.03448	0.2
125.02471	0.4
127.73090	0.1
143.03453	0.2
161.04539	1.4
261.09811	11.3
262.10184	0.8
359.10867	0.2
384.08591	0.2
445.80179	0.2
498.29453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
63.20412	0.2
65.52769	0.2
69.69205	1.2
71.01390	1.3
73.02921	0.3
78.73011	0.2
81.03443	0.3
81.57356	0.2
85.02972	0.7
89.02444	0.6
99.04530	100.0
100.04865	2.7
101.02456	0.9
113.02464	0.6
119.03541	0.5
125.02458	0.6
143.03448	0.3
157.72014	0.2
161.04585	2.1
246.90367	0.2
261.09818	13.5
262.10175	0.9
370.39078	0.2
492.75339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81518	2.1
50.93670	2.6
59.01385	42.1
67.01904	4.9
71.01392	27.7
71.68409	2.2
72.99310	3.6
74.45000	2.1
78.95834	2.4
83.01385	3.7
85.02960	15.2
87.00893	5.6
89.02446	20.2
93.03478	34.9
94.03801	2.9
96.96037	7.3
99.04543	6.0
101.02434	17.2
107.05064	2.2
109.03004	3.1
111.00939	3.1
111.04538	8.4
113.02460	10.7
113.89349	2.4
119.03528	10.1
121.02976	3.4
122.93446	2.4
133.02966	3.0
134.03770	7.0
135.04549	84.6
136.04834	3.5
137.02486	9.7
149.04602	2.8
155.03513	6.9
161.02477	6.2
163.04047	6.3
173.04565	100.0
174.04865	3.1
179.03513	84.5
179.05185	4.1
180.03876	5.5
191.05637	76.3
193.05118	5.6
201.18962	2.2
237.61981	2.4
293.12442	2.5
323.13486	75.8
324.13815	7.0
353.08847	70.4
354.09058	8.3
503.14194	10.6
527.12207	8.7
543.00952	2.6
543.09009	2.2
618.11395	2.5
634.87286	2.3
677.19318	21.3
678.19000	6.2
695.09076	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72065	0.2
56.38549	0.3
59.01388	2.3
63.52598	0.3
68.97021	2.8
71.01402	1.9
73.02949	0.3
78.43983	0.3
85.02960	0.5
89.02464	1.5
99.04533	100.0
100.04865	2.6
101.02433	0.8
113.02467	1.2
119.03497	0.8
125.02456	0.6
143.03528	3.4
151.04086	0.5
151.87497	0.3
161.04573	2.2
163.04097	0.3
184.21666	0.3
191.05608	0.4
191.07132	0.3
251.09370	0.7
261.09814	12.4
262.10202	0.8
273.29324	0.3
281.10422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27640	0.7
55.01876	2.8
57.03449	4.0
58.00587	1.0
59.01384	63.0
60.01727	1.1
61.98824	1.1
67.01891	1.2
68.99825	1.2
71.01389	31.6
72.01714	1.0
72.99306	2.2
73.02956	9.9
75.00887	3.8
81.03471	3.4
83.01398	16.6
83.05046	0.9
85.02962	17.6
87.00887	100.0
87.04530	1.2
88.01241	1.7
89.02460	8.4
93.03497	1.1
93.94205	0.8
95.01392	4.1
96.96010	4.1
96.99340	0.9
97.02945	2.0
99.00895	11.7
99.04543	2.7
101.02456	20.5
105.01916	0.7
109.02964	3.8
111.00894	9.2
112.98779	0.9
113.02467	13.5
119.03519	3.7
122.66513	0.8
125.02462	3.8
127.00391	10.8
127.04023	2.2
129.01003	1.0
129.01959	17.2
130.02303	0.9
130.99864	4.3
135.00923	0.9
137.02521	0.7
139.00432	0.8
141.01976	1.2
143.03503	0.9
145.01418	0.9
147.03020	14.4
149.04599	0.7
151.00439	0.9
153.01952	24.7
154.02345	1.8
154.99907	1.9
157.01471	1.0
158.65610	0.7
159.02998	1.6
161.04570	8.0
169.01497	1.4
171.03046	1.2
173.00943	3.2
177.04039	0.7
179.05667	1.7
191.02005	3.7
191.05627	24.5
197.00934	2.6
215.01997	5.5
255.19708	1.2
269.14206	0.9
285.04077	2.0
287.03964	0.7
337.07779	1.1
357.15366	0.7
399.23895	7.5
400.24393	1.2
417.24976	25.7
418.25333	3.2
446.25848	0.7
447.22537	1.0
485.23932	16.4
486.24225	2.4
527.25031	30.8
528.25159	6.3
557.26324	1.0
573.28778	1.0
633.29950	0.8
677.23022	3.3
677.33929	2.5
678.24634	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3551
Annotation	Erythroxanthin sulfate
Peak:m/z	Relative Intensity
55.01892	1.7
55.13861	0.5
58.00591	1.4
59.01384	27.9
60.99306	2.9
71.01391	16.2
72.99316	1.6
73.02944	2.3
74.90507	0.5
75.00868	1.2
83.01411	3.3
85.02956	5.6
87.00875	3.3
89.02460	11.0
93.09953	0.6
95.01394	1.6
98.22646	1.1
99.00899	1.6
99.04530	1.3
101.02454	10.8
111.00925	1.1
112.98805	2.0
113.02466	6.6
119.03512	4.3
127.00387	1.1
129.01953	1.1
131.03499	0.7
135.02994	0.6
137.91003	0.5
145.01460	5.1
154.99817	0.9
161.04605	0.9
169.01443	0.7
179.05612	0.7
191.05637	2.0
239.09258	0.6
251.94141	0.7
284.03433	0.9
285.04068	3.2
311.14850	0.7
417.24973	1.2
515.19507	1.1
515.29932	1.4
591.30432	0.7
659.19739	1.3
660.19617	0.6
677.22253	4.8
677.35474	100.0
678.35785	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03440	1.5
58.00589	1.8
59.01384	47.1
60.01706	0.5
63.78854	0.3
67.01892	0.4
69.03445	2.1
71.01388	36.5
72.01722	0.5
72.99301	2.7
73.02547	0.3
73.02953	5.6
75.00884	1.0
81.03474	1.4
83.01395	4.2
85.02954	9.0
87.00884	8.7
89.02454	31.2
91.04031	0.5
92.47682	0.4
95.01403	3.1
97.02959	7.4
99.00888	2.3
99.04534	0.7
101.02452	28.5
102.02780	0.7
103.92073	0.5
109.02972	0.9
111.00881	0.4
111.04536	0.7
113.02464	14.7
114.02792	0.4
115.03983	0.4
119.02676	0.7
119.03516	10.5
120.03878	0.4
121.02982	0.8
123.00891	0.5
124.01688	0.6
125.02460	11.9
126.02827	0.5
127.04025	0.7
127.87045	0.3
129.02011	0.4
130.03018	0.4
131.03523	1.8
133.05095	1.0
135.82817	0.3
139.04036	0.9
141.01950	0.4
143.03523	5.2
144.24030	0.3
149.02533	0.5
149.04575	0.6
159.86003	0.4
161.04564	6.7
162.04987	0.4
167.03490	0.7
169.05051	0.4
179.05603	5.5
185.04500	0.4
199.06143	0.7
203.05603	0.3
217.07181	0.8
221.06718	2.1
235.08237	12.7
236.08606	0.6
245.06659	0.6
253.09306	2.6
261.22330	0.4
263.07675	1.4
277.09439	0.6
279.23309	100.0
280.23657	10.2
287.07788	3.2
293.25070	0.6
305.08759	3.2
323.09848	1.0
358.85519	0.4
379.12360	1.2
397.13522	65.9
398.13846	6.2
415.14594	30.5
416.14914	2.6
473.64258	0.3
604.19177	0.4
642.39099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17656	0.3
55.01889	1.7
57.03462	1.4
58.00605	2.1
59.01387	49.3
60.01726	0.6
67.71007	0.2
68.99816	0.7
69.03466	2.3
71.01392	38.5
72.01734	0.4
72.99322	3.2
73.02959	6.8
75.00887	0.8
81.03468	1.8
83.01394	4.9
85.02959	8.5
86.00108	0.4
87.00889	9.3
87.01406	0.5
89.02456	33.7
90.02797	0.6
91.04035	0.7
93.03493	0.3
95.01407	2.0
95.05051	0.4
97.02969	6.4
99.00913	2.4
101.02457	31.2
102.02819	0.7
103.00403	0.3
103.04025	0.4
103.32000	0.2
109.03009	0.7
109.48257	0.2
111.00905	0.9
111.04539	1.2
112.01682	0.3
113.02466	16.5
114.02802	0.4
115.04031	0.6
117.66411	0.2
119.03520	10.3
120.03910	0.3
121.02992	0.6
123.00881	0.4
124.01672	0.5
125.02464	13.3
126.02814	0.4
127.04067	0.5
129.01956	0.4
131.03516	2.0
133.05133	1.5
133.54561	0.3
139.04056	1.0
141.01984	0.7
143.03519	5.8
149.04614	0.9
151.03925	0.3
159.02985	0.3
161.04582	7.4
167.03532	0.9
169.05119	0.5
171.03030	0.4
179.05649	7.2
185.04550	0.5
199.06131	0.6
203.05644	0.4
217.07219	1.2
219.05141	0.3
221.06680	2.2
235.08258	12.6
236.08636	0.8
245.06625	0.7
253.09343	4.1
261.22324	0.8
263.07672	1.3
277.09256	1.3
279.23322	100.0
280.23679	10.8
283.08060	0.3
287.07779	2.9
305.08859	3.4
323.09793	1.6
361.11218	0.5
379.12433	1.1
397.13544	72.1
398.13934	5.9
415.14603	30.4
416.14963	2.5
423.25287	0.3
462.41830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01383	4.7
69.03455	0.6
69.24608	3.5
71.01387	3.8
71.05030	1.1
73.02943	0.7
73.88825	0.5
80.02702	0.7
81.03455	0.8
83.05029	1.6
84.02170	0.9
84.48744	0.5
85.02956	2.7
95.01395	0.8
95.05057	2.1
97.02966	1.6
97.06596	2.9
101.02454	1.0
110.03745	0.8
125.09704	1.3
137.09708	1.8
139.11324	0.9
140.51131	0.5
141.09274	0.6
144.92244	0.5
153.12856	1.1
155.10847	0.7
163.11284	1.7
165.09039	1.3
165.12859	16.9
166.13199	0.8
167.14398	0.6
171.10297	4.7
177.12811	0.7
179.10658	1.4
181.08485	0.6
181.12280	0.9
183.13875	2.6
185.11743	0.8
193.08470	9.4
193.12262	2.4
197.11900	1.3
203.10590	1.7
205.12146	2.8
207.10046	15.3
208.10486	0.8
209.07983	1.1
209.11824	1.4
211.13423	15.3
215.10472	1.4
217.08437	0.8
219.09964	4.5
221.11670	10.7
222.12094	0.6
229.14430	8.8
230.14853	1.0
231.10088	9.6
233.11606	77.1
234.11986	4.4
235.09561	0.8
237.11002	0.5
239.12926	1.7
243.10077	1.7
247.09491	2.2
248.10359	1.9
249.11295	11.5
250.11784	0.8
251.12601	11.3
252.11458	1.0
261.11105	17.9
262.11453	1.0
279.11252	0.6
291.19736	2.1
292.81662	0.5
313.17822	4.9
313.98468	0.5
327.21790	62.5
328.22147	7.5
331.18936	9.0
332.19092	0.6
349.19989	100.0
350.20364	11.4
572.10675	0.5
677.22845	2.6
677.41187	10.3
678.41376	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	677.495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18444	0.2
57.83176	0.2
58.02992	0.2
59.01389	2.3
61.98845	0.4
69.39607	0.7
69.40033	0.6
71.01392	1.4
73.02932	0.3
75.00868	0.3
80.05079	0.3
81.03468	8.1
82.03784	0.3
83.01408	0.4
83.05035	20.8
84.05377	0.6
85.02984	0.5
87.00858	0.3
89.02464	0.8
96.96027	0.7
99.04559	0.3
99.72328	0.2
100.07728	0.4
101.02485	1.0
107.06164	0.5
108.04581	0.7
112.61227	0.2
113.02483	0.6
119.01369	0.3
119.03491	0.5
119.05000	0.2
125.07188	1.1
126.05621	0.4
133.06610	0.4
135.02994	0.5
143.08282	0.7
157.13374	0.2
191.05745	0.3
199.18288	0.2
207.15030	1.3
220.14607	0.2
224.17715	3.4
225.16109	13.2
226.16486	0.9
242.18748	0.8
250.15369	0.2
268.16873	0.2
287.15112	0.2
290.22690	0.3
291.20795	0.2
309.21844	0.7
324.26569	0.7
324.30371	0.2
333.22992	1.0
341.29153	1.2
367.27191	1.3
407.33798	0.3
429.21222	0.3
433.31879	1.6
450.34595	1.4
451.32916	6.5
452.33279	0.9
462.33401	0.2
550.43695	0.9
559.39801	0.5
565.44763	0.4
593.43945	0.6
659.48779	1.4
677.49725	100.0
678.50018	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	678.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
58.00587	1.1
59.01387	33.6
61.98825	2.8
70.54179	1.6
71.01391	22.4
72.99311	2.4
73.02921	1.4
85.02981	4.0
87.00887	1.4
89.02457	22.5
95.01414	1.6
96.96036	1.2
101.02464	13.7
113.02463	10.3
119.03505	8.9
142.42737	0.8
143.03545	1.8
147.39922	1.0
149.04558	1.0
158.48750	0.8
161.04578	2.4
179.05640	7.8
180.05954	0.9
243.65051	0.7
251.99931	0.9
275.06406	0.9
278.27756	1.0
379.26111	1.2
389.28732	1.2
391.26611	4.0
393.28098	1.8
395.29788	2.5
407.29645	15.6
408.30017	2.7
420.62329	0.9
423.28888	2.8
425.30490	6.8
437.31821	0.9
443.31332	1.2
469.30084	1.0
473.32712	28.0
474.32971	5.8
635.38068	100.0
636.38470	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	679.1525
Annotation	Luteolin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
52.36818	0.9
53.84029	1.0
59.01386	11.9
61.98830	3.8
63.02412	2.0
63.83392	0.9
65.00334	1.0
71.01397	12.2
72.99319	3.3
73.02957	2.4
74.29428	1.0
83.01384	2.2
83.11985	1.0
85.02966	4.4
87.00867	1.2
89.02454	8.7
95.01426	1.2
96.95965	1.8
98.95596	1.0
101.02470	7.9
102.21993	1.2
105.73700	0.9
107.01411	4.1
113.02457	5.0
119.03500	2.3
131.03401	1.0
132.53392	1.1
133.03021	4.8
134.03723	1.2
143.03577	1.0
149.02502	1.1
151.00395	6.2
151.04054	1.1
160.06418	1.0
161.04536	1.3
166.02800	1.0
166.15121	1.1
175.04059	2.2
179.05687	4.1
193.03558	5.6
193.05096	2.1
199.04019	3.2
205.05376	1.0
217.05077	1.2
221.06636	1.5
243.03239	1.1
256.03766	4.6
269.04657	1.4
284.03296	74.3
285.04062	96.8
286.04419	8.8
287.09216	1.6
295.06241	1.1
337.11151	1.2
489.10477	2.8
489.32639	1.0
517.30566	1.2
545.81598	1.3
593.15808	1.8
635.16217	100.0
636.16577	17.8
679.34607	7.5
680.33795	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	679.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81870	0.6
58.45668	0.6
59.01386	7.6
63.02384	2.5
65.00324	1.7
69.66188	3.3
70.08099	0.5
71.01383	5.8
71.13609	0.7
72.01723	0.7
73.02931	1.5
74.69934	0.6
76.39951	0.5
83.01381	2.2
85.02938	1.5
87.00866	1.9
89.02454	5.1
95.01422	0.6
98.21857	1.1
101.02457	4.5
102.02818	0.9
105.03417	0.6
107.01392	4.2
113.02457	2.2
114.02760	0.6
119.03522	1.9
121.02961	9.1
125.02457	1.8
133.02974	6.3
134.03725	1.3
143.03516	0.9
148.01683	0.7
149.02446	1.9
151.00410	6.4
165.01949	6.7
167.05025	0.7
171.04547	0.6
175.04028	2.4
179.05591	0.9
183.04457	1.0
199.04109	3.5
201.01910	0.9
211.04036	2.1
212.04837	1.0
215.03470	1.1
217.04997	1.4
227.03535	2.3
235.08260	1.5
239.03629	0.7
241.05125	0.6
243.03038	1.1
247.74159	0.6
255.03078	2.0
256.03745	3.5
279.23334	9.0
280.23651	8.3
281.23920	4.0
283.02487	1.2
284.03299	59.0
285.04056	100.0
286.04407	7.2
297.03940	0.8
299.05832	0.7
397.13702	4.0
398.13785	5.2
399.13953	4.4
415.14352	1.1
416.15121	2.6
417.15323	1.8
675.23004	0.7
679.27637	71.4
680.27991	17.0
680.39789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	48.7
70.00323	100.0
107.75547	20.0
120.28503	21.7
129.97224	25.2
151.59334	24.4
190.41351	28.3
202.86206	25.1
515.98035	23.7
615.23969	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
59.01097	2.4
59.01383	48.8
68.99804	2.7
71.01392	15.0
73.02964	6.0
75.00887	5.1
83.01405	3.2
85.02951	8.1
87.00892	6.9
89.02458	8.3
95.01415	2.6
95.05036	1.4
99.00892	2.9
101.02458	9.1
111.00900	4.2
112.98840	2.9
113.02457	10.3
113.99613	9.2
115.00372	3.6
117.01940	1.6
119.03526	3.5
119.05056	2.3
127.00320	1.3
129.01958	1.4
135.03058	5.6
139.00395	3.7
139.11310	28.2
141.01860	1.3
145.01402	3.9
154.99910	3.3
156.00601	2.0
157.01457	2.1
161.04594	1.6
161.36201	1.1
161.60010	1.1
163.11186	2.5
179.05609	5.0
179.70793	1.2
181.12347	19.1
181.13786	2.0
182.12859	1.4
183.10283	32.7
199.13441	8.7
224.92169	1.2
225.11270	8.4
227.12929	1.5
243.12381	38.6
244.12718	2.8
277.05731	9.7
285.13556	3.5
319.06793	13.2
320.07465	1.2
337.07809	4.2
361.15100	27.3
362.15594	2.3
403.16330	2.3
417.18121	1.4
507.28830	1.2
519.17822	1.8
523.20313	1.9
545.18280	1.3
563.19928	13.3
564.19965	2.6
577.28882	4.2
595.29584	1.9
663.20984	1.6
681.22479	100.0
681.35693	3.4
682.22729	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40186	2.4
58.66552	2.4
62.55476	2.7
66.31887	2.6
73.19813	2.5
84.29500	2.5
209.07317	3.0
209.10823	2.9
210.07965	3.7
211.08755	13.9
217.90160	2.8
236.28920	3.1
237.06755	10.7
237.10258	3.5
239.08301	3.1
269.09427	3.0
312.78979	2.8
407.27368	2.4
427.27295	2.7
459.14359	2.8
475.17670	6.9
503.17322	17.4
504.17902	5.1
519.17456	3.2
535.19714	3.4
547.16071	14.8
548.17468	2.9
562.18427	2.9
563.19690	5.4
621.23431	3.6
649.23071	97.9
650.23669	38.9
651.23877	7.1
681.25714	100.0
682.25726	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	14.2
57.03447	4.3
57.20739	1.7
58.00620	2.6
59.01388	92.9
61.98846	2.8
66.22631	1.7
69.40656	11.7
70.72162	1.9
71.01393	49.6
72.99303	6.2
73.02953	10.3
75.00868	2.5
76.55689	1.6
83.01402	14.7
85.02962	16.5
87.00892	13.4
89.02454	26.3
95.01382	5.3
96.96049	2.3
98.21770	3.2
99.00871	4.0
101.02460	25.3
101.32952	1.9
101.79919	1.9
103.00407	1.8
103.69436	2.1
103.73643	1.8
111.00889	8.0
112.98830	19.5
113.02464	28.2
117.01961	2.1
119.03510	13.6
125.02454	2.9
127.00446	1.8
129.01971	9.2
143.03511	5.3
145.01451	22.9
147.03001	5.7
154.99890	100.0
156.00220	3.1
156.22850	1.8
161.04564	8.4
179.05643	6.5
187.02449	2.8
191.05620	2.2
194.93961	2.0
207.13855	2.3
209.12044	2.1
225.14969	4.1
227.12920	15.8
251.12720	2.2
269.14047	4.8
287.15079	28.2
288.15375	2.5
329.16125	2.5
337.07727	2.5
415.23508	6.5
417.17709	5.3
433.24417	6.1
443.15799	2.9
472.02127	1.9
477.94293	1.8
577.28693	37.7
578.28503	4.0
595.29773	44.1
596.30292	8.2
637.30969	9.9
640.93628	2.0
681.26654	3.7
681.29865	2.6
681.37231	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	681.3501
Annotation	Lehualide K
Peak:m/z	Relative Intensity
55.01873	0.9
57.03445	1.2
58.00594	1.2
59.01387	26.0
60.99309	0.5
61.98822	0.5
68.96071	2.6
68.96490	1.4
69.03449	0.6
71.01390	21.2
71.05016	0.4
72.99306	1.6
73.02946	2.1
75.00861	0.9
81.99590	0.4
83.01391	1.0
85.02964	5.1
86.03289	0.5
87.00880	0.9
88.98792	0.4
89.02457	17.2
95.01408	0.6
98.21838	1.0
98.22523	1.1
99.00896	0.9
101.02454	4.1
104.47717	0.4
107.56191	0.4
113.02484	3.3
119.03522	1.3
131.03566	0.8
135.04561	0.5
149.04579	0.7
161.02478	0.6
161.04614	0.5
179.03535	0.5
179.05635	0.9
183.10275	0.5
183.85971	0.4
282.09064	0.4
361.14743	0.5
389.28534	0.6
395.29749	0.6
401.51215	0.4
407.29477	1.4
421.27576	1.4
423.29370	0.6
439.28317	0.5
502.91882	0.4
540.01019	0.4
577.28796	1.4
595.29993	0.7
615.31842	0.7
633.32770	16.0
634.33179	3.2
681.34967	100.0
682.35284	21.2
694.65436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27615	31.9
98.22544	85.4
102.97257	32.6
450.22418	36.5
472.57086	39.5
681.38031	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	681.378
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62688	66.9
71.28047	74.2
71.28440	69.5
72.30856	65.4
72.89713	68.2
92.24012	60.5
161.83542	63.4
162.83865	74.5
320.70081	85.9
397.13437	74.3
555.28265	100.0
660.22626	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03448	1.0
58.00594	1.3
59.01388	23.8
61.98844	0.5
70.49255	1.3
71.01391	16.0
72.99316	1.7
73.02948	0.9
83.01405	1.3
85.02962	4.4
87.00898	0.5
89.02457	11.0
95.01408	1.2
101.02454	10.9
101.36730	0.4
112.02632	0.4
113.02470	5.0
119.03528	4.7
161.04585	0.8
179.05634	0.8
179.89587	0.4
267.14868	0.4
333.97412	0.4
361.25403	0.4
363.27151	0.6
375.27051	1.5
377.28537	1.9
379.30081	1.2
380.30368	0.5
391.30109	10.1
392.30637	1.4
407.29800	2.1
408.29837	0.4
409.30853	2.2
427.31857	0.5
431.21130	0.4
441.30487	0.6
441.77658	0.4
447.99829	0.4
453.29965	0.9
457.33203	3.7
459.47858	0.5
471.31213	5.8
472.31406	1.3
519.33221	5.7
520.33850	1.0
635.38184	0.9
681.38605	100.0
682.38916	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01056	0.7
55.01883	2.5
57.03464	3.2
58.00586	1.9
59.01384	25.2
61.98832	2.3
69.03479	0.7
69.94288	2.0
69.94706	1.6
71.01386	34.0
72.01745	0.9
72.99319	2.1
73.02950	7.7
75.00871	1.4
83.00179	0.7
83.01391	4.1
83.05028	1.2
85.00451	0.7
85.02959	19.1
87.00883	2.3
89.02454	15.5
95.01395	6.4
95.01919	0.9
99.00899	2.5
99.04497	0.8
101.02452	16.7
112.98650	0.7
113.02458	25.9
114.02792	1.1
116.92872	3.0
119.03531	5.0
119.54520	0.7
125.02454	1.1
131.03557	0.8
133.02994	2.0
135.04561	2.3
143.03563	1.8
146.03773	0.7
149.02451	0.7
161.02448	3.0
161.04553	8.1
176.81911	0.6
179.03561	1.4
179.05649	3.9
191.05576	1.2
193.05101	0.7
223.06221	0.7
229.64534	0.7
285.04443	1.2
341.67493	0.7
397.31006	0.8
415.23431	0.9
421.31393	0.8
457.33493	3.4
483.11398	1.5
484.12329	1.0
485.13339	1.2
519.33557	1.4
527.30243	0.8
577.28925	3.0
595.29926	2.9
681.38562	100.0
682.38898	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	681.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.8
60.99308	3.2
61.98836	2.3
62.84444	0.7
65.26598	0.9
71.01039	1.1
71.01391	15.4
72.99326	1.3
76.76614	0.8
83.01429	1.8
85.02946	5.3
87.00900	1.4
88.65802	0.9
88.98840	1.1
89.02449	7.3
95.01386	1.4
96.96029	2.1
98.22662	1.2
99.04527	1.1
101.02438	7.3
102.32457	0.9
113.02474	4.0
117.67222	0.9
119.03526	4.4
125.02475	0.9
175.04102	1.5
209.62666	0.8
247.93701	0.8
285.03970	1.2
337.07391	1.3
367.11884	5.2
370.90851	1.0
519.33173	1.6
621.21875	1.4
681.38586	100.0
682.38922	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53962	0.6
57.03470	0.9
59.01376	1.6
61.98829	1.3
69.03452	0.7
69.20625	4.5
71.01372	1.2
71.05019	1.2
82.40854	0.6
84.02196	1.5
84.99210	0.6
95.05084	0.6
97.06590	0.8
99.08178	3.9
125.09750	2.1
127.11297	1.1
137.09660	0.6
139.11299	1.6
141.09253	0.9
153.09305	0.6
154.43250	0.6
163.11272	1.3
165.09052	0.7
165.12854	17.4
166.13287	0.9
167.14445	0.7
171.10292	4.4
179.06882	0.9
183.13870	3.4
191.06931	1.1
193.08472	10.5
193.12260	2.8
203.10466	1.2
205.12094	3.3
207.09988	0.9
208.10316	0.6
209.07889	1.2
209.11902	1.5
211.13397	19.5
212.13785	1.9
215.10361	0.8
219.10020	3.3
221.11603	9.3
222.11894	1.0
229.14471	11.0
231.10059	8.3
233.11603	93.3
234.11981	6.0
237.11101	0.8
249.11177	12.6
251.12933	21.7
265.10583	0.9
329.23349	80.0
330.23685	7.7
351.21539	100.0
352.21881	11.3
395.20203	0.8
503.69318	0.8
681.45544	10.8
682.45886	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	27.9
60.99309	3.3
71.01391	22.0
72.99323	3.9
73.02934	3.0
82.20363	3.3
83.01393	5.6
85.02966	9.7
87.37231	3.3
88.98820	12.2
89.02463	10.8
91.88325	3.3
96.00933	2.6
96.95995	3.5
99.00843	5.0
101.02456	14.3
107.57680	3.3
113.02449	9.7
118.98086	12.5
121.80720	2.9
125.02414	3.9
131.03542	3.3
133.02866	3.6
134.03737	5.6
135.04562	8.0
151.04092	6.0
161.02467	7.6
161.04547	3.8
163.03987	4.6
165.05553	3.7
171.84808	3.4
175.04086	3.5
179.03564	14.9
179.05670	4.8
180.04207	5.7
181.05052	3.3
191.05611	5.1
193.05017	6.7
221.04680	4.7
241.05104	3.7
277.10477	3.3
284.03192	16.4
285.00876	5.7
285.04086	100.0
286.04395	12.5
288.30185	3.6
323.10010	5.7
401.88699	3.2
552.00507	3.4
593.15094	86.0
594.15405	10.4
683.24963	7.1
684.25507	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	683.147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39485	1.0
59.01390	2.4
60.99311	11.3
63.79775	1.1
85.02994	1.4
88.98819	74.5
89.99165	1.3
93.03519	1.9
95.25140	1.1
133.02966	4.1
135.04526	5.5
137.03383	1.4
151.00356	2.3
161.02446	2.0
168.25258	1.2
175.04057	1.3
179.03555	4.9
191.05656	30.1
192.06007	1.8
199.03963	1.3
217.05182	1.2
227.03592	1.3
256.03754	3.1
284.03287	44.5
285.04056	67.9
286.04431	5.9
353.08844	9.5
395.09689	1.7
447.09372	2.3
455.12747	1.4
515.13843	1.2
593.15186	100.0
594.15460	20.2
611.78400	1.6
683.17828	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	683.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08416	0.7
54.27182	0.6
54.58146	0.7
57.31374	0.8
69.30842	3.8
69.31245	1.6
71.01368	3.4
78.98097	0.9
83.94337	0.9
108.02193	14.0
109.02962	30.0
110.03318	1.0
115.00389	5.0
121.02963	4.8
122.03716	1.0
123.04508	2.3
124.01645	1.1
124.19325	0.7
133.02989	1.8
135.04514	5.8
146.03735	1.2
147.04527	1.5
148.05373	1.8
149.06113	5.0
149.37383	0.8
161.06093	11.3
162.06880	1.1
163.07631	2.2
175.04042	0.8
177.05568	2.0
179.03520	1.5
179.19989	0.7
213.05702	1.3
225.05638	1.8
226.06425	1.0
241.05116	3.5
242.05870	52.6
243.06598	28.4
244.07007	2.5
244.84479	0.8
253.08830	1.1
269.08188	3.5
271.09784	100.0
272.10114	10.4
297.07556	0.9
315.08792	13.9
359.07806	3.8
361.49359	0.9
395.74661	0.7
405.11987	2.5
477.14148	3.8
521.13098	29.1
522.13257	4.7
649.91095	0.8
655.38007	0.8
683.18408	40.6
684.18909	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	683.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08395	0.6
58.56917	0.6
64.57446	0.7
69.50357	2.7
69.50764	1.0
71.01394	4.1
91.48096	0.6
96.95992	1.2
98.21757	0.9
98.50217	0.5
108.02190	12.1
108.04556	0.6
109.02964	27.5
110.03339	0.7
115.00380	5.1
119.05034	0.7
121.02979	3.7
122.03740	0.9
123.04556	1.4
124.01648	0.8
133.02966	1.6
134.03746	1.0
135.04539	6.5
137.02376	0.6
146.03728	0.8
147.04491	2.4
147.05511	0.6
148.05302	2.7
149.02429	0.7
149.06108	6.5
161.06104	8.7
162.06792	1.5
163.04041	0.7
163.07660	2.1
173.05952	0.8
175.03990	1.0
176.04742	0.9
177.05585	1.6
179.03490	1.8
187.04005	0.7
187.07603	0.8
191.05577	1.0
193.05208	0.8
201.96051	0.6
202.94357	0.6
202.96223	0.7
213.05597	0.9
215.07187	0.6
225.05539	0.9
226.06444	1.4
241.05179	3.3
242.05873	45.0
243.06609	30.3
244.06940	2.4
253.08791	0.9
269.08258	4.6
271.09790	100.0
272.10110	8.5
288.96667	0.6
297.07635	0.9
298.92044	0.6
315.08768	12.1
316.09177	0.8
359.07849	4.1
388.31876	0.6
405.11951	3.6
413.44522	0.6
433.14658	1.0
471.64136	0.8
477.14038	4.3
521.13043	24.3
522.13403	3.8
683.18286	39.2
684.18762	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	683.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70279	0.3
56.25568	0.3
59.01389	2.9
60.99309	0.6
61.98799	0.3
62.86587	0.3
67.01898	2.3
69.03477	0.5
70.58633	1.1
71.01390	2.1
73.02947	0.4
75.00866	0.3
81.03457	0.6
83.05039	0.4
83.90672	0.4
85.02962	4.6
87.00906	3.4
88.98837	0.4
89.02458	1.9
93.03468	14.1
95.01416	0.7
99.00936	0.4
99.04533	0.7
101.02460	0.7
105.03453	0.7
105.58527	0.4
109.02995	1.0
111.04539	2.3
113.02467	1.0
119.03494	0.6
121.02987	0.6
127.04025	1.4
129.01978	0.6
133.02974	4.7
134.03764	1.7
135.02980	0.6
135.04550	13.6
136.04852	0.7
137.02457	0.7
139.00404	2.5
140.01187	1.5
142.98367	0.3
149.38802	0.4
151.04037	1.1
152.47694	0.3
153.01939	1.1
154.02744	1.4
155.03532	3.5
156.68019	0.4
161.02478	4.7
161.04527	0.4
164.57915	0.4
171.02939	0.5
173.04594	4.5
177.01895	1.0
179.03517	11.4
179.05272	0.6
179.05681	0.5
180.03960	0.4
181.05046	0.3
191.05630	100.0
192.05980	3.8
193.05063	0.4
276.90643	0.3
308.09058	0.8
317.08850	6.2
326.11703	0.4
341.13913	0.8
351.06940	0.8
353.08804	34.2
354.09158	3.6
359.10687	0.4
367.10211	2.2
395.09833	7.2
395.59106	0.4
396.10159	0.6
425.10696	1.0
455.11880	2.1
515.14050	0.6
521.13141	0.5
576.09741	0.4
589.06293	0.4
595.01331	0.4
683.18030	7.2
684.18640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33049	0.7
53.05362	0.8
55.01892	1.2
56.41309	0.8
59.01385	20.1
65.14056	0.8
67.01912	1.0
71.01386	15.1
72.99308	1.1
73.02953	4.3
74.50109	0.9
75.00880	1.0
83.01398	3.6
85.02973	7.9
87.00887	5.1
88.98832	2.1
89.02455	7.1
93.03482	4.7
95.01418	1.5
99.00916	1.4
101.02446	8.9
105.44569	1.0
109.02970	1.6
111.00902	2.2
113.02468	3.8
118.54858	0.9
119.03521	2.2
121.02992	3.5
122.06151	1.2
125.02415	1.4
126.46862	0.8
133.02975	1.5
135.02998	1.6
135.04538	3.8
153.01964	1.8
159.04454	2.1
161.02417	2.0
161.04582	1.1
173.04555	2.0
179.03528	2.8
191.05630	27.9
192.06013	1.2
265.08682	1.2
267.06775	1.4
268.07404	1.5
269.08133	3.5
281.08197	6.7
282.08948	2.9
283.09723	4.4
295.09814	1.7
296.10733	2.6
299.09369	2.2
300.09839	1.1
311.09106	1.2
314.08255	1.3
314.11642	5.3
315.12424	2.7
317.08850	1.7
320.06970	1.1
326.11765	8.5
327.12299	4.6
328.12830	1.1
329.13974	10.8
340.09204	1.2
341.13910	7.7
342.14322	1.2
343.11847	1.5
351.07620	1.0
351.74219	1.0
353.08829	11.1
355.11880	3.3
385.14810	1.1
395.09781	1.3
473.14685	3.6
476.16797	8.5
477.17209	1.9
488.16806	5.2
491.19305	100.0
492.19745	14.2
503.19302	86.6
504.19669	13.0
521.20380	11.8
522.20618	2.1
683.23737	3.5
684.34833	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	684.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	25.3
76.42775	11.3
81.72413	9.3
143.86272	10.9
174.00459	10.9
307.45093	10.1
413.35898	10.8
475.47449	9.8
481.15109	41.6
555.18884	84.4
556.19177	15.3
572.15582	23.3
641.22858	31.1
684.23218	100.0
685.23352	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68993	2.7
55.01872	7.3
59.01132	4.7
59.01389	49.3
64.31893	2.8
71.01385	19.0
72.99313	3.7
75.00880	6.5
75.71028	2.9
83.01390	13.5
87.00889	29.9
98.21788	5.7
101.02461	11.9
103.00391	7.5
104.86078	2.9
111.00890	8.7
112.98087	6.0
112.98823	62.6
113.02468	4.4
115.00356	3.3
117.01917	3.2
118.03928	2.9
127.00404	10.6
129.01956	12.0
130.99895	7.3
139.00327	3.3
145.01451	100.0
147.03033	16.7
154.99873	31.9
166.67627	3.0
173.00955	4.5
175.02525	4.6
187.02481	3.3
189.04079	5.7
225.15034	6.5
227.12868	24.8
269.13892	9.9
287.15018	32.1
302.05594	3.2
371.51324	3.1
399.16644	14.6
417.17715	29.8
418.17929	3.4
435.18695	9.7
445.17191	9.4
457.17023	4.8
545.18585	5.3
573.18268	9.4
685.40247	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	685.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51425	1.5
55.01873	2.0
57.03459	2.0
57.71664	1.5
58.00600	3.6
59.01384	100.0
69.26239	8.6
69.26646	2.4
71.01387	75.9
72.99309	6.4
73.02940	2.9
83.01400	3.8
85.02950	10.7
85.24497	1.7
87.00867	5.3
89.02452	81.6
90.02740	1.4
91.05509	2.4
93.03481	2.2
95.01384	4.7
95.05021	1.5
95.64462	1.3
96.96032	2.0
98.21779	3.3
101.02447	37.4
103.00501	1.7
105.03473	2.6
108.02137	2.4
109.02956	2.6
113.02462	27.0
117.03456	3.0
119.03519	40.8
119.05012	2.9
120.01240	4.1
121.02921	3.8
123.04485	2.7
131.03519	5.0
133.50021	1.5
134.03734	11.4
135.04564	8.1
143.03500	8.1
145.02972	27.1
146.03751	48.2
147.04546	32.3
148.05188	2.3
149.04709	2.4
149.06078	12.8
150.03229	8.8
161.04562	11.8
161.06100	17.5
162.03185	3.0
163.04016	75.8
164.04819	29.1
165.05594	17.8
176.04778	3.8
177.05588	10.6
179.05612	59.9
179.07158	84.9
180.05981	3.7
180.07492	4.2
191.05721	1.8
193.04991	3.0
195.06586	3.7
201.05621	2.4
205.05046	17.5
210.15247	1.7
219.06647	2.3
235.06131	4.5
238.06213	1.6
265.07178	16.6
295.09842	3.6
307.09726	2.0
325.10980	27.1
361.16476	3.3
381.11990	20.9
382.12292	2.9
399.12930	1.6
475.16165	2.7
505.16864	3.7
520.72272	1.8
523.18011	67.9
524.18457	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	685.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25257	0.4
55.42271	0.4
59.01403	1.1
69.82293	0.4
84.32593	0.4
89.02452	0.6
90.71248	0.4
91.05522	0.4
101.03996	0.9
103.05556	0.9
108.02186	0.6
119.05047	9.0
120.05416	0.5
121.02991	0.7
127.05151	0.4
129.03493	11.9
130.04306	1.9
133.02942	0.5
134.03761	8.9
134.04739	0.7
135.04500	1.6
145.02972	1.8
146.03755	10.5
147.04543	64.7
148.04895	3.3
149.04909	0.8
149.06097	14.1
150.03276	1.2
150.06444	0.7
161.06113	4.7
162.03209	0.9
163.04019	10.4
164.04811	12.1
164.06181	0.6
165.05586	100.0
166.05920	5.3
173.06125	0.5
175.04044	0.4
177.05611	0.8
179.07155	26.5
180.07468	1.5
191.07169	0.6
193.05002	0.4
219.06645	5.1
237.07726	1.6
313.07361	0.7
313.10870	10.8
313.14465	0.8
314.11124	1.0
325.10938	2.6
327.10831	4.8
328.11240	0.6
343.11884	9.8
344.12244	1.1
347.60794	0.4
361.12958	26.8
362.13385	3.5
523.17938	6.3
524.18561	0.7
619.76965	0.5
637.49347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
59.01387	100.0
60.01705	1.5
60.99295	2.0
67.39996	1.0
68.96460	11.1
69.03452	1.6
71.01386	9.3
72.99300	1.3
73.02933	3.9
75.00883	7.4
82.48470	1.0
83.01370	1.9
85.02981	2.7
87.00896	5.6
88.98825	7.8
89.02441	4.3
99.00867	2.2
99.04516	2.5
101.02435	3.9
106.38954	1.1
111.00833	1.2
113.02439	2.9
117.01969	2.7
129.01958	2.9
135.02158	1.6
135.03014	16.5
145.01399	1.4
147.02966	2.9
165.12785	2.7
167.10779	1.3
181.12331	1.5
183.10258	1.4
191.05586	2.2
207.13916	8.2
209.11871	13.2
225.14952	13.7
227.12915	70.2
228.13159	3.2
243.12392	5.4
251.12807	3.5
269.13965	18.8
270.14624	1.1
287.15030	62.3
288.15424	5.2
387.16595	8.4
405.17639	43.7
406.17816	3.7
417.17621	3.6
447.18600	1.7
487.18900	1.4
505.19363	9.9
507.20929	2.0
523.20422	73.1
524.20831	9.7
565.20996	3.3
567.25635	6.6
625.23322	3.5
685.25562	42.4
686.26208	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	685.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51238	0.2
59.01394	1.6
66.95597	0.2
68.96741	0.5
68.97155	1.9
71.01391	2.3
73.02935	0.3
81.30202	0.2
85.02962	1.0
89.02471	1.1
93.03455	1.1
96.91209	0.2
96.96002	0.5
101.02448	1.4
106.89398	0.3
108.02220	0.7
109.02974	3.4
113.02486	1.1
119.03494	0.3
119.05013	1.1
120.01270	1.0
121.02968	8.6
122.03770	7.8
122.04654	0.4
123.04556	1.3
124.01690	0.9
129.03481	1.2
134.03761	2.1
135.04543	2.1
136.05321	0.8
137.02504	1.6
137.06178	0.3
138.02800	0.3
143.03467	0.4
145.02953	0.4
146.03767	2.4
147.04539	8.4
148.05077	0.7
149.06087	2.8
150.03241	1.0
151.04004	0.4
153.01875	0.3
154.02756	1.3
161.04584	0.9
161.06085	1.6
163.04033	2.2
164.04820	2.0
165.05589	23.5
166.05902	1.5
168.04129	0.3
173.06131	0.3
179.03600	0.4
179.05757	0.5
179.07150	10.0
180.07423	0.4
181.57101	0.2
191.05588	0.3
191.07214	0.5
193.08746	0.3
209.08232	0.6
219.06635	0.8
223.09755	0.8
279.20151	0.3
287.99557	0.2
298.12094	0.5
313.10883	1.6
313.14532	0.7
315.12491	1.5
316.12885	0.3
323.10037	0.4
325.10861	0.5
328.13470	0.3
343.11832	1.0
346.14243	8.9
346.18457	0.4
347.14499	1.1
357.61032	0.3
361.16605	100.0
362.16949	12.8
489.16412	0.3
515.61365	0.2
523.21954	8.3
524.22589	1.6
685.19910	0.3
685.33185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15252	0.3
55.01887	1.4
57.03437	0.6
58.00590	0.7
59.01385	12.8
71.01391	9.9
72.99299	1.1
73.02959	2.1
75.00873	0.4
83.01395	2.4
83.77258	0.3
85.02961	4.4
87.00904	1.6
88.98801	0.5
89.01953	0.4
89.02454	4.5
95.01378	1.2
96.54924	0.3
97.02946	0.4
97.75719	0.2
99.00863	1.0
101.01820	0.4
101.02454	7.5
107.75095	0.3
108.02164	0.5
109.02974	2.3
111.00881	0.5
113.01756	0.3
113.02462	3.9
119.03526	1.6
119.04940	0.3
121.02176	0.5
121.02973	5.9
122.03773	5.8
123.04464	0.9
124.01661	0.6
129.01962	0.3
129.03462	0.6
132.02219	0.3
134.03705	0.5
135.04559	1.6
136.05255	0.6
137.02420	0.8
147.04533	3.6
148.05261	0.4
149.06091	1.0
150.03258	0.5
154.02742	1.1
161.04660	0.5
161.06102	1.3
162.06863	0.4
163.04002	0.6
165.05588	12.8
166.05908	0.6
168.04195	0.3
173.05974	0.5
175.07634	0.6
179.05646	0.4
179.07124	3.9
191.05595	0.4
191.07201	0.8
193.05038	0.3
193.08650	0.3
209.08224	0.4
223.09709	0.5
283.09628	0.4
298.12247	0.7
299.12732	0.3
313.14420	1.8
315.12457	1.5
316.12970	0.4
328.13181	1.1
329.13849	0.9
343.15509	2.4
344.15823	0.7
346.14246	5.8
347.14813	1.8
361.16592	43.4
362.16956	5.8
388.14722	0.3
405.17642	0.3
523.21893	100.0
524.22229	18.7
533.07452	0.3
685.33704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2721
Annotation	(+)-secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
50.96661	0.9
51.74021	0.9
52.87061	0.8
53.09234	1.0
53.21820	0.8
55.01884	2.0
57.03443	2.5
58.00588	1.8
59.01385	29.2
60.99317	1.3
61.98843	2.2
71.01387	34.6
72.01750	1.1
72.99294	2.7
73.02952	9.0
77.01937	0.9
83.01405	3.7
85.02946	12.4
86.03275	1.0
87.00924	4.4
88.98811	9.9
89.02452	19.7
95.01411	2.7
97.02973	1.9
99.00893	3.3
99.04559	1.5
101.02446	26.8
109.02969	3.0
113.02462	10.7
118.98122	2.2
119.03539	7.4
121.02979	6.4
122.03747	6.5
123.00927	1.3
123.04586	1.2
124.01685	1.4
125.02460	3.8
131.03510	2.5
135.04517	2.6
137.02438	1.7
143.03514	3.8
147.04535	4.2
150.03229	1.4
151.73178	1.0
154.02769	1.7
161.04573	5.5
161.06096	3.1
165.05580	14.8
169.01443	2.3
179.05629	7.9
179.07143	4.2
191.05598	2.4
191.07173	2.0
204.31018	0.9
221.06558	5.1
223.09705	1.4
229.58765	1.1
283.10916	1.5
285.04037	2.9
286.04428	1.2
287.04730	2.3
313.14670	1.1
315.12317	1.7
328.13217	2.0
329.13983	1.1
331.08221	1.8
343.15616	2.4
346.10590	1.4
346.14166	5.2
347.14865	3.4
361.12875	3.0
361.16626	36.1
362.17090	4.3
505.20657	1.5
523.15564	1.1
523.21912	27.2
524.22083	4.2
595.15692	4.5
654.23352	4.8
685.27155	100.0
686.27393	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32545	4.3
70.32869	7.6
133.02966	5.3
151.00374	4.0
175.04018	4.3
199.03990	3.7
204.93845	3.4
241.54318	3.7
251.02409	3.6
256.03760	4.5
284.03287	67.7
285.04053	100.0
286.04465	9.4
403.86838	4.5
430.95557	4.1
685.32446	86.2
686.32654	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	685.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	3.1
57.03456	2.7
58.00599	2.0
59.01385	51.0
60.01726	1.0
61.98828	1.1
71.01390	35.8
72.01704	1.1
72.99323	3.4
73.02960	6.0
75.00900	0.8
83.01391	3.5
85.02959	11.1
87.00874	2.6
87.69865	0.5
89.02458	20.5
95.01396	2.6
98.21729	1.2
99.00901	2.5
101.02454	21.3
102.02794	0.6
111.00922	1.8
113.02468	12.0
119.03520	8.2
125.02477	0.8
129.01889	0.6
131.03522	1.2
133.03032	0.6
134.06126	0.7
143.03513	1.6
159.03079	1.2
161.04590	2.1
179.05647	2.3
191.05627	0.7
226.08484	0.6
291.83151	0.6
361.29715	4.5
404.57462	0.7
505.33740	0.9
523.34802	9.6
524.35126	1.4
685.40186	100.0
686.28625	1.3
686.40515	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.1
57.03444	2.3
58.00595	2.3
59.01386	61.3
60.01724	1.2
61.98831	2.2
71.01394	45.0
71.27103	1.6
72.01746	1.0
72.99300	4.0
73.02962	5.5
73.03320	1.0
75.00896	0.9
83.01405	4.1
85.02956	11.3
87.00877	2.9
89.02456	30.8
94.69288	1.0
95.01412	2.4
99.00912	1.9
99.78439	0.9
101.02454	21.9
102.02871	0.9
106.83734	0.9
113.02467	14.4
119.03527	13.6
131.03517	1.3
133.33862	0.9
143.03525	2.2
149.04599	1.0
159.02988	1.3
161.04579	3.1
179.05611	5.0
285.04053	1.8
332.46204	0.9
343.82330	1.0
361.29684	3.7
405.21716	1.4
442.06845	1.1
505.34009	1.8
521.04303	1.0
523.34967	11.6
524.35553	2.3
577.53510	1.2
685.40204	100.0
686.40607	25.1
686.51678	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	685.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15246	0.9
52.69844	0.8
55.01876	2.8
55.96405	1.0
57.03451	2.6
58.00604	2.3
59.01385	59.2
60.01717	1.3
61.98833	5.7
65.39628	0.8
71.01391	43.1
72.99328	4.5
73.02950	6.0
75.00904	1.4
75.38649	0.9
83.01383	4.3
85.02963	12.7
87.00893	3.6
89.02459	32.7
93.03458	1.1
95.01408	2.8
98.21807	2.1
99.00901	2.5
101.02455	22.8
111.00922	1.3
112.98765	0.9
113.02460	14.5
119.03510	11.9
135.04532	1.9
143.03568	2.5
149.04585	1.7
159.18396	1.0
161.04562	2.9
179.05620	7.3
191.05727	0.9
191.29567	0.9
193.56023	0.8
246.43312	0.9
252.67288	1.0
253.09319	1.4
285.04108	2.4
299.25848	1.1
300.99600	1.0
315.25266	1.1
343.14047	1.0
361.29672	3.8
405.21402	1.6
442.06143	1.4
445.61771	1.0
449.27689	3.6
505.33813	2.5
523.23859	1.3
523.26514	1.2
523.35010	14.1
524.35181	2.6
685.40204	100.0
686.40546	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02485	1.0
58.02969	2.0
59.01375	3.4
59.74402	1.1
61.98824	4.6
66.03477	1.6
71.01372	1.8
73.04082	16.2
74.02505	1.2
82.02959	5.4
82.06631	1.1
83.02529	1.8
84.04510	1.1
85.04125	1.3
88.98810	1.6
89.02451	1.9
95.02547	3.7
97.04072	3.8
98.02483	6.1
98.21693	1.5
99.01996	3.8
101.02482	1.6
101.10081	1.1
109.04086	1.9
112.05179	3.4
113.03554	1.8
115.05136	10.8
115.08774	3.8
116.07166	1.3
123.05685	5.6
124.04046	3.2
125.03588	3.2
125.07271	2.2
126.01966	3.8
126.05571	5.0
127.05155	15.2
127.08808	2.6
130.06226	6.2
130.08752	65.0
131.09042	2.7
137.07239	4.2
139.04022	1.5
139.05066	1.4
140.07259	1.5
140.08359	2.3
141.06700	1.7
142.06270	1.3
144.07790	3.5
154.06241	1.8
155.08267	3.4
163.05095	1.3
166.06248	12.9
166.07550	2.0
167.04640	3.2
168.09122	2.3
169.07396	1.3
169.13501	2.3
172.07300	3.5
172.10950	2.4
180.07822	14.1
180.10306	1.5
182.05745	2.2
182.09288	1.2
183.08894	5.1
184.07272	11.7
185.16612	17.1
186.08691	1.4
186.17012	1.5
187.08444	1.9
197.12933	2.7
201.09959	10.0
211.08406	3.2
211.14519	2.5
218.13396	1.3
223.08412	1.5
223.24161	1.1
225.09630	1.7
226.08363	4.5
229.09538	3.3
229.15582	7.7
239.11530	1.7
243.10989	3.4
244.09457	1.3
253.16759	1.5
258.12158	4.5
274.10449	1.6
282.12088	4.2
284.23438	22.4
285.04132	1.7
285.23764	1.7
300.13150	23.8
301.13483	1.5
328.22308	3.8
341.25500	5.9
354.77228	1.4
371.14651	1.4
372.15417	2.6
385.24570	9.0
386.24716	1.4
427.25363	1.3
447.09421	1.9
496.28311	1.9
511.25116	2.5
513.30493	5.0
612.33636	25.1
613.33813	5.3
624.33875	6.0
642.34735	90.8
643.35065	15.4
645.81683	1.2
656.36188	16.8
657.36993	1.4
668.36450	3.0
686.37311	100.0
687.26001	1.5
687.37665	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21703	0.5
55.01868	1.1
57.03441	1.5
58.00585	0.5
59.01383	11.0
61.98822	1.6
71.01387	12.3
71.26671	0.6
71.27060	0.6
72.99299	0.7
73.02957	3.6
75.42805	0.5
80.86514	0.5
83.01394	2.4
85.02956	6.0
87.00888	1.3
89.02458	5.4
95.01387	0.9
99.00883	1.5
99.04513	1.0
101.02460	9.3
111.00903	1.4
113.02462	4.6
119.03522	1.9
129.01917	0.6
131.03581	0.7
138.39281	0.6
159.02995	1.2
161.04643	0.8
171.79529	0.6
197.04691	0.8
419.28522	0.6
445.29776	1.7
463.30862	5.2
464.31131	1.1
481.31747	24.6
482.32040	3.9
625.36023	2.4
643.37048	100.0
644.37384	20.3
686.40399	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	687.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
58.00603	1.8
59.01387	32.2
60.16144	1.0
67.97548	1.0
71.01389	27.5
72.99314	3.1
73.02553	1.1
73.02961	4.3
75.00892	1.3
75.07748	1.0
83.01397	3.2
85.02955	8.4
87.00889	5.8
89.02455	32.3
92.73669	1.0
93.03511	1.3
94.23077	1.1
95.01420	1.7
96.96029	1.8
99.00896	1.7
101.02455	18.8
105.03475	1.7
108.02204	4.0
111.00970	1.4
113.02471	11.7
119.03517	14.4
120.01273	1.7
120.82008	1.1
121.02969	1.6
122.03768	7.6
123.04537	3.1
125.02551	1.0
131.03552	1.6
134.03760	32.2
134.04749	2.1
135.04611	5.0
137.02490	1.9
143.03488	5.6
145.02960	2.6
146.03755	65.5
147.04576	19.9
148.05203	1.8
149.06105	34.5
150.03246	3.8
150.06447	2.1
153.01996	1.3
154.02763	1.2
161.04611	6.5
161.06117	24.6
162.03255	3.9
162.06447	1.2
163.04066	2.3
164.04813	36.3
165.05472	3.7
166.06415	1.7
167.07155	88.1
168.07460	4.9
177.05637	2.9
179.05637	44.9
179.07184	100.0
180.06035	2.1
180.07538	7.3
182.75546	1.0
191.05670	2.0
193.08725	2.6
195.06725	2.4
209.08110	1.0
221.08287	2.3
311.11526	1.6
312.62222	1.1
327.12204	4.5
328.11938	1.8
329.12442	86.5
330.12848	7.9
383.13525	40.8
384.13901	4.7
401.14435	1.5
477.17676	15.1
478.17981	2.5
489.17740	13.5
490.17996	1.8
507.18814	38.2
508.19061	5.2
525.19818	67.2
526.20172	12.2
546.15759	1.5
687.25604	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	687.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.61926	0.4
69.14906	2.0
69.15324	1.0
72.75533	0.3
75.39294	0.3
79.63281	0.4
87.84492	0.3
89.02468	0.8
90.58413	0.3
93.03461	0.3
107.05054	0.3
108.02202	0.8
109.02962	0.5
111.04510	0.6
121.02969	2.3
122.03759	8.0
123.04561	0.8
124.01638	0.8
134.03758	15.2
135.04562	6.3
136.01669	0.6
136.04930	0.3
137.02521	1.6
137.06058	0.7
146.03751	11.6
147.04443	1.1
149.06099	24.6
150.03258	2.0
150.06401	1.2
151.04012	0.6
153.01895	0.5
154.02725	1.4
161.02411	0.4
161.06113	6.7
162.03238	2.5
162.06410	0.6
163.04027	0.7
164.04825	8.1
165.05589	20.6
166.06378	7.6
167.07153	100.0
168.07498	5.0
177.05574	2.3
179.07156	36.0
180.07457	2.3
193.08746	1.1
195.06638	0.7
198.15831	0.3
221.08200	5.8
222.08566	0.7
223.06204	0.6
239.09283	2.2
242.90265	0.4
315.12405	13.4
316.12692	1.6
327.12332	3.0
328.12576	0.7
329.12445	2.5
343.35013	0.3
345.13431	9.9
346.13821	1.2
363.14532	33.0
364.14920	4.5
479.98932	0.4
525.19824	4.7
526.20111	0.8
569.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3972
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
53.63559	1.7
53.85866	1.6
57.03457	2.3
57.28870	1.7
59.01394	9.1
61.98835	5.6
67.71113	1.8
69.51671	11.8
71.01383	7.7
85.02941	3.9
89.02467	5.6
101.02440	4.5
119.03558	2.6
148.85085	1.8
149.06152	4.0
150.06886	41.5
163.07645	8.5
164.08464	5.3
178.09999	2.9
179.10825	15.5
227.42087	2.0
241.29572	2.0
248.45557	2.3
285.04111	5.1
345.22772	3.3
351.67664	2.3
464.31299	6.7
479.33740	4.6
492.68079	2.2
506.32910	2.4
507.33319	3.5
524.33472	2.3
525.34442	27.9
526.34711	4.7
687.39728	100.0
688.40125	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92207	31.9
59.28138	33.8
61.98810	41.9
64.40651	30.7
111.89965	33.4
277.21713	100.0
291.23157	75.6
319.22931	41.6
467.11047	38.1
612.97681	39.9
618.00012	35.8
657.58679	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40894	6.4
59.01397	6.9
62.39709	5.9
62.47158	5.9
71.01392	7.2
71.11720	6.0
71.14275	5.8
73.97643	6.1
74.37733	5.7
89.02471	8.9
90.95522	6.9
95.75648	6.3
114.67140	6.3
136.90935	6.1
205.12306	8.6
277.21759	100.0
278.22064	17.8
289.57465	6.5
291.23383	32.5
319.22888	15.5
421.95850	6.9
457.45758	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	689.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01389	5.4
68.99818	1.6
69.03460	0.4
71.01395	3.7
73.02959	2.3
73.30027	0.3
75.00872	0.9
82.65101	0.3
83.01396	1.4
85.02956	4.0
87.00893	1.5
89.02457	1.3
93.51287	0.3
94.40327	0.3
95.01397	0.8
96.96008	0.5
97.02956	0.7
98.22630	0.6
99.00905	3.1
101.02435	2.5
111.00866	1.5
112.98818	0.6
113.02468	4.3
113.99596	8.2
115.00404	4.1
119.03479	0.5
127.00367	1.7
129.01968	1.7
139.00380	0.7
157.01433	3.1
161.04639	0.3
168.06471	0.3
169.01385	0.8
174.00238	0.5
174.01720	8.6
175.02444	1.5
191.05635	0.7
277.05664	13.5
278.06091	0.7
285.04138	0.4
309.16409	0.3
337.07794	100.0
338.08136	7.3
405.06726	2.4
406.06769	0.3
689.19299	2.0
690.19397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58599	0.6
55.01881	1.1
57.03446	1.3
58.00594	1.7
59.01387	31.4
61.98829	1.9
69.03471	1.0
69.13338	5.3
70.97468	0.6
71.01389	26.1
71.05016	0.5
72.99313	3.4
73.02969	2.6
75.00889	2.2
81.84729	0.7
83.01405	2.5
85.02966	9.0
85.41114	0.5
86.08033	0.5
87.00898	1.9
88.98839	0.5
89.02455	18.0
93.03489	0.6
95.01405	2.1
95.05035	1.5
96.96032	7.6
97.02968	1.3
99.00897	2.1
99.04514	0.8
101.02458	14.9
106.86150	0.5
107.05080	0.8
109.06635	0.6
111.04521	1.1
113.02467	8.7
119.03500	6.4
121.02996	1.1
122.03762	1.9
123.04553	4.5
125.06133	1.0
137.02466	0.9
137.06133	0.6
138.03244	1.6
139.04031	0.8
149.02455	0.7
149.04570	0.8
150.03241	1.3
151.04033	0.7
153.05589	1.4
161.04593	1.3
163.04062	1.0
165.01938	0.6
165.05579	0.7
179.05708	1.4
191.05644	0.7
206.71461	0.7
260.82489	0.5
265.58667	0.5
318.09613	0.5
369.20880	0.6
397.24466	0.7
409.23950	0.7
419.22595	0.8
437.23294	2.1
449.16125	0.7
455.24615	1.4
509.20663	0.7
509.27652	4.3
510.28204	0.8
527.28741	1.3
602.27466	0.7
607.31433	1.0
617.29663	5.1
618.30133	1.0
635.30847	6.5
636.31226	1.1
653.32056	1.4
689.33954	100.0
690.34357	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	690.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58704	1.7
55.01872	2.1
58.00618	2.1
59.01388	34.8
60.80707	1.8
61.98837	1.9
71.01387	34.7
72.99328	2.6
73.02950	6.6
76.44646	1.7
83.01419	6.8
85.02969	7.0
87.00895	5.5
89.02459	24.6
95.01407	2.8
97.02959	3.7
101.02455	23.1
113.02453	9.6
115.23676	1.8
119.03546	6.8
125.02465	10.8
125.92590	1.8
143.03517	5.5
161.04568	7.2
179.05704	4.1
184.41344	1.5
217.52740	1.7
221.06671	1.7
235.08308	11.4
240.70618	1.6
249.18626	72.7
250.18993	8.2
253.09337	6.3
305.08865	2.9
397.13553	100.0
398.13959	9.4
415.14618	39.0
416.15152	2.3
453.98285	1.8
604.11298	2.1
659.72363	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	690.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.6
61.98839	3.1
71.01389	5.2
71.03099	2.7
72.99338	1.5
84.00921	37.5
85.02943	2.4
89.02445	2.0
101.02504	2.1
113.02460	2.7
114.01942	1.8
116.45195	1.6
119.03515	1.9
126.01980	4.1
131.03496	3.2
131.28868	1.5
174.04128	2.5
209.15413	3.8
212.64082	1.4
242.81731	1.4
275.20248	1.8
285.04089	1.7
293.21335	6.8
294.60468	1.5
335.38943	1.4
393.28128	6.2
395.29514	2.0
397.13531	3.0
407.25983	4.8
411.29239	1.8
415.14703	2.1
421.27542	6.2
422.28134	1.9
423.29099	56.8
424.29523	10.9
437.27020	1.9
441.30176	77.8
442.30530	13.7
469.29813	2.3
471.31213	100.0
472.31519	16.8
474.50592	1.5
485.29282	7.5
527.30249	4.6
528.31293	1.5
557.31195	5.8
585.33746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2273
Annotation	curcumin diglucoside
Peak:m/z	Relative Intensity
55.01886	1.7
59.01096	2.4
59.01383	28.3
61.98824	2.8
69.52757	4.6
69.53165	6.2
71.01388	13.3
71.43376	1.7
72.99323	3.6
73.02950	3.5
73.94147	1.6
75.00871	10.8
83.01405	6.4
85.02963	3.6
87.00877	1.9
89.02454	1.9
90.11255	1.7
96.96042	4.0
99.00909	5.5
101.02456	6.4
103.00378	7.2
111.00893	2.6
112.98811	11.8
113.02448	3.8
115.91342	1.9
119.03547	2.3
139.11363	2.9
145.01477	13.5
154.99902	3.6
158.11739	1.7
161.04526	2.1
163.29204	1.8
169.01485	2.8
181.12329	2.2
285.04105	2.5
361.16913	1.9
364.45908	1.8
471.16769	1.9
574.32007	13.0
691.22717	100.0
692.22986	15.8
692.35107	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	691.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60932	0.6
61.98832	1.0
65.00315	1.3
69.47340	0.6
70.02457	3.2
70.29893	0.6
94.99362	0.7
96.96033	0.7
98.22567	0.8
107.01401	1.6
110.10239	0.6
117.03485	1.2
119.94682	0.7
138.73918	0.7
149.02475	1.5
151.00386	2.8
171.04535	1.1
172.05168	0.8
195.04478	0.8
211.04021	1.4
225.67467	0.7
239.03551	2.4
240.04294	4.0
268.03802	100.0
269.04480	29.7
270.04993	2.3
323.06067	0.6
485.11401	0.9
691.31281	63.2
692.31592	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	691.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37594	1.9
58.00596	2.7
59.01097	3.9
59.01381	61.4
61.98838	5.1
64.56562	2.0
70.45943	4.6
70.46273	4.9
71.01389	51.1
72.99329	6.6
73.02939	10.4
81.03462	3.2
83.01388	6.6
85.02941	10.0
87.00879	6.3
89.02451	44.6
94.35316	2.3
95.01390	4.5
97.02966	5.1
101.02459	37.3
108.46568	2.4
113.02461	13.0
113.03111	2.3
119.03510	15.0
121.10239	19.4
121.72949	2.6
124.04714	2.8
125.02476	14.2
129.03015	2.1
143.03506	6.4
161.04544	10.2
171.10287	57.7
172.10579	2.5
179.05614	7.0
217.06958	2.4
221.06792	3.3
231.21082	4.2
235.08293	16.2
235.16945	4.2
253.09372	2.9
275.20190	55.4
276.20557	5.8
287.07642	3.5
293.17911	3.0
293.21252	95.8
294.21457	10.7
305.08710	7.3
397.13535	100.0
398.13675	10.6
415.14639	55.0
416.14960	8.0
669.29126	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	691.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07572	1.1
56.40448	1.3
57.03455	1.8
58.00592	1.5
59.01387	48.4
61.98816	2.4
65.70105	1.1
69.03454	2.0
70.55142	3.5
71.01388	34.0
71.05036	2.6
72.99301	3.0
73.02954	3.6
81.03466	1.9
82.65672	1.2
83.01395	4.1
85.02970	7.0
87.00878	6.0
89.02462	25.0
95.01390	2.6
96.96014	1.5
97.02969	3.5
99.00925	1.5
101.02457	24.5
111.00907	1.3
113.02464	11.8
114.30382	1.1
115.04029	1.4
119.03526	9.3
123.00890	1.2
125.02474	7.6
131.03578	1.8
143.03520	4.9
161.04591	7.2
179.05618	5.8
202.97314	1.3
209.15514	2.3
221.06720	2.0
235.08295	9.0
235.17059	37.7
236.17397	3.9
253.09335	2.0
275.20190	48.4
276.20578	4.8
285.04156	1.5
293.21274	100.0
294.21600	11.5
305.08856	2.3
323.09860	1.3
367.12595	1.4
397.13519	62.7
398.13889	5.8
415.09839	1.3
415.14584	39.7
416.14929	3.7
434.84439	1.2
490.28351	1.3
649.36285	3.2
691.39386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3554
Annotation	(-)-Bisisomahanine
Peak:m/z	Relative Intensity
54.66144	0.6
55.01884	2.3
57.03445	1.6
58.00604	0.7
59.01384	11.9
61.98821	1.4
63.45070	0.6
68.94832	1.3
68.95238	5.4
71.01389	14.5
72.99323	1.7
73.02953	4.1
75.00867	2.1
83.01389	2.5
85.02966	7.3
87.00878	1.8
88.42090	0.5
89.02440	3.7
93.82099	0.6
95.01386	1.1
95.30103	0.7
96.96034	7.8
97.02988	0.7
99.00900	2.6
99.04566	0.7
101.02454	9.9
107.05022	0.8
109.06581	0.7
111.00912	1.1
113.02468	5.4
116.30493	0.8
119.03501	1.2
122.03750	1.9
123.04564	4.1
125.06107	1.7
129.01974	0.9
138.03232	1.9
139.04118	0.6
141.05725	0.6
141.24821	0.6
151.04012	0.7
153.05569	0.9
161.04616	1.3
163.04045	1.1
172.00111	0.6
255.13870	0.6
285.03958	0.9
317.71356	0.7
381.90714	0.7
391.24857	1.6
398.88260	0.7
429.26422	1.2
517.27881	0.7
553.30780	1.5
591.32050	1.5
601.29645	1.0
607.31329	0.7
609.32208	0.9
610.32568	0.9
619.31445	6.8
620.31488	1.5
637.32379	5.6
638.32544	1.0
655.33496	1.6
691.35522	100.0
692.35864	23.0
692.47424	1.4
722.09015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52301	0.8
54.02871	0.8
55.31368	0.7
59.01385	20.6
61.98840	2.0
62.43482	0.9
65.16508	0.7
69.03471	1.5
70.45952	1.3
70.46321	1.6
71.01389	16.4
72.99309	1.7
73.02940	2.5
75.34859	0.8
82.25719	0.7
82.99290	0.9
83.01400	2.1
85.02965	2.9
87.00898	2.8
89.02453	12.9
95.01415	1.0
96.96021	0.9
97.02990	1.9
101.02462	11.9
105.29586	0.7
110.83411	0.8
113.02445	6.1
117.12852	0.8
119.03548	4.8
125.02461	4.2
143.03546	2.2
150.48444	0.8
161.04601	2.5
172.26993	0.8
179.05641	3.1
183.10321	2.0
195.13936	7.7
211.13350	1.0
221.06677	1.0
223.13446	5.2
235.08258	2.7
253.09236	1.8
256.13019	1.1
275.20212	5.7
276.20593	1.5
293.21259	100.0
294.21613	12.6
397.13559	24.0
397.18857	0.9
398.13889	1.8
415.14597	25.2
416.14850	3.3
499.36166	0.9
691.37561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41944	43.3
55.86855	52.5
70.74612	100.0
80.13351	49.3
116.39513	49.7
117.52126	48.1
149.86816	48.5
253.19223	58.0
257.52979	59.3
308.97745	59.5
449.34705	61.3
451.16425	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.77224	0.8
57.03440	1.8
58.00583	1.4
59.01388	80.8
61.98825	1.8
62.11649	1.0
62.35978	0.8
62.97889	0.8
70.92711	1.8
71.01392	30.3
72.99312	2.6
73.02953	6.6
75.00877	10.1
83.01382	4.1
85.02972	11.2
87.00878	2.9
89.02462	20.4
95.01392	3.0
96.96054	1.2
99.00896	3.0
101.02456	22.3
102.02764	0.9
103.00367	1.9
111.00877	1.6
112.98848	2.2
113.02477	12.9
115.07657	3.3
116.08381	0.9
119.03521	8.2
125.36269	0.9
131.03540	0.8
135.03023	9.1
137.09697	1.8
140.10823	1.0
142.91722	0.8
143.03462	1.1
145.01453	1.9
154.99889	1.4
155.10773	2.1
156.10304	3.3
157.08725	1.0
158.11891	9.9
159.02988	1.9
161.04619	2.2
177.03999	1.4
179.05652	1.4
183.10269	0.8
191.05580	1.2
191.14413	1.7
209.15536	1.3
228.31863	0.9
241.20946	0.8
285.04019	2.1
314.86520	0.9
320.17096	3.7
321.57919	0.9
378.18375	0.9
458.23254	1.0
471.98590	0.9
556.31146	2.5
574.32397	100.0
575.32764	21.0
692.22870	15.6
692.34900	51.0
693.22723	4.1
693.35193	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	692.351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.7
58.00602	1.3
59.01385	73.0
60.01704	1.7
60.82397	1.0
61.98823	4.2
71.01392	26.3
71.28524	1.4
72.99298	3.4
73.02932	4.5
75.00900	5.3
83.01362	4.2
85.02962	9.0
87.00877	2.3
89.02459	17.6
95.01389	1.4
99.00902	2.6
101.01818	1.8
101.02454	19.6
113.02460	11.4
113.09684	1.2
115.07640	1.7
117.01942	1.1
119.03524	5.5
129.01906	1.3
135.03003	7.2
137.09731	1.6
145.01392	1.6
147.30313	1.2
151.22775	1.2
155.10773	5.3
157.08746	2.2
158.11848	3.1
161.04518	2.6
181.49544	1.3
191.10156	1.3
198.14973	1.2
200.12880	5.3
217.14178	1.1
270.97943	1.2
353.43195	1.2
447.53967	1.2
556.31213	3.4
574.32379	100.0
575.32721	23.6
692.23193	4.5
692.34912	46.3
693.35327	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	693.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18504	0.7
57.03443	1.3
59.01384	5.8
60.99289	1.6
61.34649	0.8
67.01901	7.3
67.08408	0.8
69.03452	1.2
70.42473	0.8
70.42883	0.8
71.01395	6.1
73.02940	1.9
75.00891	1.5
77.03952	0.8
81.03465	1.6
82.95429	5.2
83.05048	1.5
85.02957	9.2
87.00891	12.8
89.02456	2.9
90.36105	0.8
93.03465	39.6
94.03811	0.9
94.09386	0.9
95.05035	2.4
96.96017	0.8
99.00840	0.7
101.02463	2.3
105.03474	7.3
107.05054	2.9
108.02151	1.0
109.02968	8.9
111.04542	7.2
113.02480	2.3
119.03560	0.9
121.02969	1.9
123.04565	3.8
127.04025	2.1
129.01926	2.0
133.02974	55.9
134.03729	1.4
135.04539	51.3
136.04846	2.5
137.02484	1.0
145.02982	1.1
150.03201	2.2
151.04114	1.1
155.03525	2.6
161.02419	2.3
161.04631	1.4
165.04036	2.0
171.02977	1.5
173.04550	27.4
174.04970	0.9
177.01950	17.9
179.03526	7.8
179.05597	1.4
191.05629	100.0
192.05981	4.4
213.05617	1.0
215.05635	25.9
216.06084	1.6
221.79643	0.8
241.05095	1.9
249.05974	1.9
257.04617	1.0
267.06470	1.3
269.08032	1.7
274.38849	0.9
277.05252	1.4
285.03986	4.3
294.05347	1.8
295.06110	5.3
296.06592	0.9
307.08340	2.8
313.07089	2.0
339.05054	1.6
341.08734	1.0
351.07236	83.0
352.07480	10.0
353.09445	3.8
371.10153	1.5
457.11523	2.8
458.12146	1.2
459.09360	6.6
487.12405	3.1
501.10730	2.2
527.12048	2.2
621.14642	8.8
622.14844	1.3
649.17737	2.4
693.16382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.6
59.01386	13.4
60.99301	3.0
67.01894	8.8
68.11178	1.2
69.03450	3.7
71.01385	11.3
72.99310	1.5
73.02927	2.0
75.00906	1.8
81.03445	2.1
83.05032	3.4
85.02959	12.3
87.00872	13.9
87.75717	1.0
89.02459	5.2
93.03468	61.2
95.01392	1.3
96.96017	6.9
99.00893	2.3
99.04562	2.2
101.02461	3.3
105.03475	2.8
109.02953	3.0
111.00912	3.4
111.04533	7.9
113.02448	5.3
118.17509	1.1
118.32261	1.2
119.03506	1.4
122.06153	1.5
127.04018	3.9
129.01944	1.7
132.02173	7.4
133.02982	16.2
134.03725	2.7
134.06073	1.4
135.02979	1.8
135.04555	13.4
137.02455	1.2
140.07140	1.2
143.03522	2.0
150.03267	1.9
155.03484	2.5
160.01671	16.9
161.02484	5.9
161.04642	1.4
162.03247	1.5
165.04033	1.4
173.04568	28.3
175.03984	1.1
177.01984	6.6
177.05537	2.8
178.02686	3.7
179.03511	7.6
179.05507	1.2
185.02454	3.2
191.05632	100.0
192.05927	4.3
193.05048	6.8
215.05627	6.2
220.03726	3.1
221.04416	1.3
277.05386	1.5
295.10986	4.6
303.13467	1.7
307.08267	1.4
308.87503	1.2
321.07724	4.8
327.13773	2.3
339.08807	8.8
351.07230	18.2
367.10385	5.0
368.10727	1.2
371.12390	1.6
381.09851	4.8
501.13956	14.8
502.14310	2.0
507.39624	1.1
513.14032	25.7
514.14624	4.4
531.22205	1.3
601.23602	2.1
643.23956	3.9
661.24463	2.7
675.26807	2.2
693.20361	44.3
694.20380	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	693.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17742	50.3
70.47276	100.0
70.47625	81.6
103.78676	52.1
112.95142	46.7
201.28534	50.5
232.18668	61.3
259.80911	51.0
267.38876	62.0
498.98920	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01368	1.5
69.03441	0.8
71.01380	1.2
71.26505	0.6
83.05022	0.9
85.02956	2.4
95.05048	1.4
97.02959	1.0
97.06601	3.2
111.22506	0.6
125.09694	1.1
127.11262	0.9
130.79970	0.5
137.09785	0.6
161.09782	0.6
165.12830	1.5
167.14388	1.0
171.10318	4.7
177.12749	0.6
183.13899	4.1
185.11838	1.1
192.52939	0.8
193.12212	0.7
197.11775	1.1
203.10928	0.6
209.05888	1.9
209.11748	0.9
211.13409	17.3
212.13725	0.8
221.11864	3.1
223.07518	1.6
229.14432	11.7
230.14874	0.8
237.09013	1.2
239.12871	1.4
242.11391	0.6
247.07379	1.3
249.09000	7.3
253.07700	0.6
263.06140	1.0
265.07571	6.0
267.09140	10.9
268.09589	1.0
277.07724	4.2
279.05435	0.9
289.49899	0.6
291.19748	2.3
293.06964	0.7
295.08643	4.2
307.04886	1.3
309.06552	1.3
311.08029	1.8
327.21793	100.0
328.22220	10.5
347.15848	1.6
365.17300	6.5
366.17874	0.7
461.22009	3.2
495.37024	0.8
527.27521	0.7
577.30554	1.0
633.38525	0.7
693.38959	25.5
694.39520	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	693.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05827	0.3
55.01884	1.7
57.03450	2.5
58.00597	2.4
59.01384	100.0
60.01716	1.4
61.98832	1.0
67.85392	0.3
67.97496	0.3
68.35857	0.3
68.99848	0.4
69.03477	0.7
69.49997	2.1
71.01388	53.8
72.01724	0.7
72.99314	3.9
73.02952	7.3
73.03329	0.5
75.00864	0.5
81.03500	0.4
83.01389	5.0
85.02960	17.8
86.00123	0.4
86.03301	0.5
87.00872	3.4
89.02453	34.4
90.75939	0.3
95.01392	5.0
96.96041	0.8
97.02959	1.5
98.22498	0.6
99.00885	2.6
99.92605	0.8
101.02451	29.4
102.02804	0.6
111.00924	1.6
112.01659	0.5
113.02461	36.3
114.02805	1.0
115.04044	0.5
115.92113	1.1
116.92868	3.8
119.03514	15.6
120.03813	0.5
124.01625	1.6
125.02499	3.1
129.01917	0.4
131.03575	1.7
140.36188	0.4
142.02713	0.5
143.03528	6.2
143.10747	0.4
147.02994	0.5
149.04556	0.9
159.03017	0.6
161.04576	9.9
161.05899	0.6
163.36130	0.3
179.05626	7.4
243.84642	0.3
250.06003	0.3
285.04004	0.6
333.97729	0.4
340.21277	0.4
362.42053	0.3
364.45123	0.4
393.82080	0.4
459.15369	0.4
471.26535	0.6
471.33243	4.8
472.33826	0.7
489.34451	3.9
490.34790	0.8
513.34387	0.9
559.34766	0.5
569.36890	0.4
578.62256	0.4
597.36420	1.0
598.37457	0.4
633.38568	53.5
634.38928	12.8
651.39642	52.2
652.39978	12.5
693.41364	5.1
694.40997	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
63.02412	1.0
64.09989	0.2
65.00329	0.6
71.01391	3.6
72.99309	0.6
73.02928	0.3
83.01393	0.6
91.56587	0.2
93.03481	0.3
99.00897	0.3
99.04533	0.3
99.92604	1.7
101.02446	0.4
105.03487	0.3
107.01402	1.8
109.02973	0.6
111.84739	0.2
113.02496	0.3
115.00355	0.4
116.92873	13.0
117.01906	0.4
117.92889	1.0
121.02946	0.7
133.02960	4.4
135.04535	0.3
149.02440	1.3
151.00389	3.8
151.04053	0.5
160.01639	0.2
161.02461	0.4
166.02682	0.9
171.04457	0.3
173.06050	0.3
175.03990	2.4
176.04243	0.2
177.01962	0.5
179.03532	0.3
179.24350	0.2
181.05113	1.6
185.06039	0.5
187.03906	0.2
189.05563	0.3
191.05536	0.3
199.04039	1.7
201.01982	0.4
211.03995	0.3
212.04793	0.2
213.05655	0.4
215.03603	0.3
217.05138	1.3
229.05087	0.3
239.03511	0.3
240.04118	0.2
241.05156	0.7
243.02988	0.6
255.02832	0.3
256.03784	0.4
257.04483	0.6
267.02921	0.2
268.03830	0.3
269.04544	0.3
284.03256	3.5
285.04059	100.0
286.04404	9.4
385.13425	0.2
417.15546	2.9
418.15915	0.3
471.09396	0.3
489.10513	0.3
609.14667	0.4
651.15704	24.7
652.16064	5.0
695.35553	0.7
696.36865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80909	0.5
59.01369	0.8
61.98846	2.4
62.57845	0.5
63.02402	0.5
65.00340	0.9
69.00458	4.7
69.13269	0.5
83.01380	0.6
86.78016	0.5
89.02464	0.6
91.66753	0.7
101.02455	0.7
107.01389	1.2
108.29726	0.4
109.02956	0.5
133.02954	2.4
134.03700	0.7
135.04539	0.6
149.02455	0.8
150.03270	0.6
151.00385	2.6
161.02454	0.6
165.01990	0.9
175.04053	1.9
180.04272	0.7
191.05641	0.9
195.06703	1.4
199.04021	1.8
211.04039	1.0
217.05167	0.8
227.03555	1.0
241.04961	0.5
255.03006	2.0
256.03741	3.5
269.04504	0.8
283.02444	1.2
284.03287	57.2
285.04050	88.4
286.04404	8.7
290.23947	0.5
297.04105	0.6
327.05176	2.7
447.09259	4.3
489.10458	100.0
490.10797	18.3
490.16779	0.5
533.16443	0.7
651.15717	7.0
652.15674	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	695.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24376	0.8
57.03456	1.4
58.38987	0.8
59.01379	3.6
67.01915	1.8
71.01385	3.7
72.99328	1.3
73.29321	0.8
75.00880	22.1
80.91954	0.8
81.03472	2.5
84.08826	0.9
85.02957	5.4
85.06539	0.9
86.83588	0.7
87.00896	4.0
89.02466	1.5
93.03477	11.5
96.96008	1.3
98.21732	1.8
99.00915	1.4
99.04522	13.7
101.02458	1.2
106.36047	0.8
111.04523	2.1
113.02475	1.7
117.03467	1.5
118.09972	0.9
127.04003	1.2
129.01973	10.5
133.02934	2.1
134.03757	22.0
135.04547	27.0
136.04893	1.3
137.02467	2.3
147.03001	4.1
149.06110	1.1
153.05568	0.8
155.03549	1.1
161.02478	1.5
165.04059	100.0
166.04445	3.4
167.03542	1.6
173.04565	34.6
174.04903	1.4
175.04012	1.2
179.03511	21.5
179.07127	3.5
180.03914	1.9
191.05621	26.9
192.06020	1.4
193.05070	22.1
194.05486	1.1
220.34413	1.0
227.09064	2.0
231.06642	2.0
246.08989	1.5
261.11420	2.5
285.11423	1.5
309.13467	28.2
310.13809	2.0
324.15353	0.8
341.08615	19.1
342.09271	1.5
347.89612	0.8
353.08771	24.9
354.09262	2.0
521.12659	1.1
695.18524	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	695.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
69.16792	3.8
71.01382	1.6
72.90122	0.5
75.00880	4.9
83.05037	0.5
85.02967	6.4
87.00896	3.4
89.03997	0.8
93.03479	2.7
96.95987	0.6
98.21783	0.8
108.53051	0.5
109.02996	0.5
117.03473	1.8
120.65253	0.4
127.04024	2.1
129.01958	2.0
133.02983	1.3
134.03764	20.7
135.04604	3.3
137.02525	0.6
144.50340	0.5
147.03032	1.9
149.06078	2.3
161.02461	1.5
165.04076	15.1
173.04588	2.6
178.02788	0.8
179.03542	2.8
191.05640	100.0
192.05994	4.1
193.05081	30.8
194.05392	2.0
293.12000	0.4
311.15536	0.5
341.08786	7.3
342.09171	0.6
353.08804	13.2
354.09186	1.3
446.30780	0.7
530.64551	0.5
557.76819	0.6
695.18140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06999	0.4
59.01376	1.2
67.01893	0.7
71.01363	0.9
71.25307	0.4
81.03426	0.4
83.05048	0.4
83.63959	0.4
85.02962	7.2
87.00875	1.6
89.02441	0.7
93.03477	4.2
96.96971	0.7
101.02525	0.5
103.43504	0.4
109.02972	0.8
111.04533	1.2
113.02454	0.4
116.49036	0.3
125.38282	0.3
127.04041	1.8
133.02953	1.2
135.04532	1.2
151.21886	0.3
153.01909	0.4
161.02446	1.6
171.03011	0.7
173.04564	3.6
174.04904	0.4
179.03520	0.9
191.05637	100.0
192.05974	5.0
236.65977	0.4
259.45602	0.3
263.45660	0.4
351.07104	0.5
353.08273	11.2
354.09143	0.7
407.56604	0.4
560.04193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01712	1.5
71.01391	23.3
72.60841	0.9
72.99282	1.0
73.02953	27.9
76.98103	0.9
83.01395	7.9
85.02959	4.0
87.00853	1.1
89.02450	9.5
95.01388	2.1
97.02982	0.9
101.01819	1.9
101.02454	27.8
102.02795	0.9
102.30853	0.9
106.72325	0.8
113.02459	9.4
114.02678	0.9
119.03506	5.3
131.03522	1.7
143.03522	2.7
149.04564	5.7
161.04617	10.0
179.05647	1.8
199.59006	1.0
203.05699	1.5
221.06720	3.0
270.02454	0.8
274.64883	0.8
285.04083	1.9
338.14499	0.9
360.08893	0.9
415.69403	1.0
668.03778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.4
56.32002	1.6
57.03460	4.6
58.00580	2.1
59.01099	3.6
59.01385	70.2
61.98819	4.9
63.56741	1.6
67.01894	1.8
69.18576	12.7
71.01393	45.0
72.99322	3.0
73.02946	11.2
75.00878	9.3
81.03465	2.5
83.01400	20.4
83.05017	2.5
84.07797	1.7
85.02954	22.1
85.98131	1.8
87.00887	100.0
89.02462	12.2
95.01402	4.0
97.03011	2.3
99.00890	13.5
101.02453	27.6
109.02995	2.7
111.00894	9.6
111.76746	1.8
113.02464	16.1
119.03479	3.7
124.33289	2.5
125.02474	6.1
127.00412	17.3
127.04068	2.2
129.01984	17.6
130.99844	4.7
135.02971	2.8
142.54253	2.0
143.03596	2.6
147.01915	1.8
147.02998	11.9
153.01982	24.2
154.99884	3.2
159.03105	2.3
161.04536	8.4
165.04056	11.9
173.01021	3.7
177.04105	2.1
187.65256	2.3
191.02017	3.1
191.05510	3.2
197.00871	2.5
209.06589	3.0
215.01962	7.0
285.04080	4.8
377.82446	2.1
399.23804	8.1
400.23929	3.1
417.16110	2.4
417.24908	16.4
418.25113	2.8
455.97122	2.3
485.24005	23.5
486.24130	6.4
527.24902	28.8
528.25323	4.0
591.30450	6.9
609.31384	3.6
695.26605	2.6
695.37140	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	695.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03438	0.5
58.00590	0.8
58.70127	0.4
59.01384	18.4
60.99318	2.3
69.22532	3.5
71.01390	10.5
72.99316	0.6
73.02950	1.6
83.01385	0.9
85.02965	3.7
87.00898	0.8
89.02452	7.1
95.01392	1.2
95.34806	0.5
96.96065	0.7
101.02459	6.4
103.40384	0.4
111.00845	0.5
113.02443	3.6
119.02760	0.6
119.03492	2.4
187.52985	0.4
218.35847	0.5
227.12987	0.4
269.04733	0.5
407.29694	0.6
453.30292	0.8
533.31287	0.7
615.35809	0.7
631.34747	0.9
633.36761	1.7
677.35962	1.1
695.36517	100.0
696.36841	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	695.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12362	0.6
58.24465	0.7
59.01382	13.5
61.98837	1.7
69.03478	0.7
69.51586	3.4
71.01388	9.2
72.99304	1.1
73.02948	1.5
82.95420	0.9
83.01379	1.5
85.02964	2.9
88.98811	1.8
89.02454	5.4
93.03474	1.5
95.08405	0.7
96.96044	0.8
98.22464	0.9
99.04530	1.2
99.92625	3.1
101.02441	5.5
113.02473	3.0
116.92873	21.3
117.63397	0.7
117.92886	1.9
119.03541	2.4
133.02979	3.2
133.83865	0.8
134.03738	1.7
135.04555	2.9
137.02484	1.0
150.03304	1.0
160.01709	1.5
161.02444	8.7
165.05640	1.0
173.04616	0.9
174.03473	0.8
175.04010	1.7
177.05682	1.1
178.02686	1.0
179.03481	2.4
179.05630	1.0
191.05637	3.4
191.07156	0.8
192.05914	1.0
193.04988	1.2
194.05804	0.9
195.06758	0.9
233.92964	0.7
268.03809	1.1
269.04620	2.6
284.03308	0.8
285.04111	7.6
286.04517	0.8
323.07764	2.7
441.30069	3.9
442.30640	0.9
453.30283	3.4
471.31244	3.3
473.11038	1.0
485.29129	2.7
489.32510	2.3
514.14026	0.8
533.16754	7.3
534.17261	0.9
615.35358	2.2
633.35828	1.7
647.34497	15.2
648.34198	2.6
651.15466	3.3
695.36536	100.0
696.24664	1.6
696.36853	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96436	0.3
55.01867	0.7
57.03429	1.0
58.00572	1.5
59.01386	26.2
59.66716	0.3
60.31098	0.3
60.99285	1.2
61.10903	0.4
61.98812	0.7
63.99387	0.3
64.81266	0.3
69.09969	3.2
71.01390	17.0
72.99315	1.8
73.02917	1.3
83.01371	1.3
85.02487	0.3
85.02954	4.2
87.00872	0.6
89.02458	11.6
91.43100	0.3
95.01411	1.6
98.21806	0.8
101.01831	0.5
101.02457	8.1
113.01757	0.4
113.02473	5.7
119.03522	3.3
127.76373	0.3
133.02936	1.4
138.78671	0.4
143.03455	0.5
144.06105	0.5
179.05608	0.7
192.04312	5.6
207.06609	3.7
208.06947	0.4
255.02986	7.2
256.03336	1.3
283.02530	8.1
284.03064	1.4
285.03922	0.7
296.03220	0.7
363.26920	1.4
364.26834	0.4
375.26868	1.2
377.28494	1.3
379.30093	2.4
380.30270	0.4
391.30151	4.6
392.30405	0.6
395.29559	0.4
407.29532	1.4
409.30792	0.7
423.29117	2.9
424.29459	0.6
439.28232	0.6
441.30118	5.3
442.30444	1.1
453.29825	0.7
459.31189	0.6
471.31213	16.5
472.31540	3.0
485.29147	49.5
486.29507	8.9
487.08829	1.2
488.09464	1.7
489.32468	1.4
491.09921	1.1
665.35492	5.7
666.35748	1.3
695.36548	100.0
696.36896	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.03439	1.8
59.01381	6.0
60.99309	0.8
61.98816	1.1
62.88416	0.6
64.94616	0.6
71.01394	10.4
72.99319	3.1
73.02959	0.8
75.00448	0.8
75.00883	13.9
75.96869	0.7
85.02965	13.7
87.00893	4.6
89.02446	2.0
93.35886	0.6
95.01376	0.8
98.21800	1.6
99.00884	3.6
103.02110	0.6
113.02468	11.9
115.00412	1.6
116.01163	1.5
157.01393	0.9
168.63718	0.7
175.02518	1.8
225.15187	0.6
232.63896	0.7
307.10834	1.2
375.26932	1.3
377.28336	0.8
379.30212	1.1
391.30145	7.1
392.30411	1.6
435.29123	0.8
453.30164	4.6
471.31430	4.0
472.31290	1.2
495.37030	0.8
519.33325	2.8
607.08704	0.7
625.92651	0.7
631.22333	3.1
632.21515	0.9
663.24988	0.9
695.36523	100.0
696.36865	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02329	5.1
59.01383	21.9
61.98822	10.4
71.01382	22.2
71.25842	5.1
78.95935	7.1
81.54802	5.6
87.00885	8.3
89.02453	25.4
89.71624	5.8
101.02453	14.5
113.02497	10.8
143.39156	4.9
146.58009	5.4
152.99626	7.3
162.81244	5.0
179.05713	5.5
235.08232	10.7
255.23346	66.0
256.23639	6.2
307.36917	5.6
397.13525	100.0
415.14606	29.5
485.26627	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	696.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55299	1.1
53.16745	1.2
57.03476	1.6
58.00620	2.5
59.01389	36.0
61.98829	1.2
67.41056	1.4
69.03473	2.2
71.01392	30.5
72.99300	2.9
73.02962	4.6
75.00912	1.1
83.01398	3.7
85.02969	6.1
86.42515	1.2
87.00893	5.7
89.02454	26.7
90.65971	1.3
95.01389	3.1
97.02977	5.4
99.00891	2.1
101.02452	23.4
113.02477	14.4
119.03493	8.9
121.02982	4.8
125.02463	9.7
131.03500	1.4
143.03531	4.2
145.17177	1.6
157.74463	1.2
161.04579	5.9
167.03581	1.3
179.05650	5.0
208.22351	1.4
221.06683	3.6
230.89391	1.7
235.08232	10.8
253.09296	3.1
255.23317	87.3
256.23575	8.4
287.07858	4.0
305.08820	3.7
311.11887	1.5
313.07242	2.5
360.38132	1.5
397.13559	100.0
398.13882	9.9
415.14618	31.2
416.14935	2.6
459.18091	1.6
472.86713	1.4
487.17645	2.5
488.18530	3.0
547.19574	2.4
601.20197	1.4
633.23877	7.8
634.24097	5.4
650.24481	1.5
653.37469	3.4
665.26105	11.0
697.28589	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	697.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
59.01387	10.9
61.98828	3.8
71.01385	7.2
73.02950	1.7
83.01391	1.2
85.02946	3.0
87.00883	2.9
87.05579	0.8
88.98834	1.5
89.02455	3.3
93.03476	1.6
95.01402	1.3
96.96049	1.8
99.00883	1.0
101.02454	3.8
108.02187	2.1
108.12504	1.0
109.02960	3.0
111.00931	1.4
113.02460	2.9
116.92839	0.9
119.03542	1.1
121.02955	4.2
123.04556	0.9
134.03691	1.0
135.04527	2.3
136.01675	19.2
137.02444	3.5
145.01465	1.5
147.02994	0.9
147.04483	0.9
149.02466	1.0
149.06065	1.0
150.03242	1.4
151.04027	19.4
159.04492	1.1
160.05287	1.0
161.05972	1.9
162.03218	1.1
163.04050	2.6
165.05605	1.1
172.05403	1.2
173.06111	1.5
174.01711	0.8
175.04044	1.8
176.04756	2.1
177.05573	3.4
178.02690	1.0
179.03490	1.4
179.05661	0.8
187.04103	1.5
189.05620	2.8
190.06332	2.0
191.05615	0.9
191.07184	0.9
193.04985	1.3
221.04469	0.8
225.05516	1.6
244.89587	0.8
253.05008	2.1
265.05118	1.4
266.05917	2.2
267.06558	1.5
268.07367	1.0
269.04599	7.5
279.06708	1.6
280.07455	1.2
281.04605	8.2
281.07904	1.7
282.05127	1.0
283.05957	1.3
284.06836	4.7
285.04187	2.1
285.07224	1.0
291.06689	1.4
293.08453	1.2
295.06140	1.2
296.06979	8.1
297.07388	1.5
298.08307	1.6
299.09396	7.6
311.09357	6.1
312.65359	0.9
313.10757	1.5
319.09662	1.1
321.07571	1.7
323.09186	2.3
324.09973	2.3
336.10025	2.1
339.12372	3.4
351.12473	1.0
384.12451	1.0
399.14413	2.9
427.11774	1.9
439.11465	1.6
442.14316	3.4
445.16949	2.3
449.27612	4.4
457.17245	1.4
459.14172	1.1
460.15082	2.0
472.15143	3.4
473.16229	0.9
475.18448	7.6
487.14066	5.3
487.18222	2.5
490.16364	3.9
502.16257	5.4
503.16754	1.8
505.18762	58.1
506.19034	12.7
517.18726	100.0
518.19122	20.9
535.19977	8.4
536.20264	2.3
579.20361	2.3
611.32550	1.2
637.37860	1.9
655.39185	1.3
697.23999	2.0
697.36560	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	697.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82385	1.0
59.01369	1.6
61.98821	2.7
64.09618	0.9
65.30146	0.8
71.01385	2.0
78.00066	1.0
79.29889	0.8
82.82159	0.9
86.95325	0.9
90.03529	1.2
92.05122	1.3
93.27860	1.1
101.02480	1.6
106.06643	4.7
115.09708	1.0
120.04569	2.6
132.04541	1.2
134.06096	1.7
199.41249	0.9
211.08836	1.4
221.07343	1.0
223.08760	1.6
225.10341	1.0
229.10973	0.9
237.10464	1.2
239.08243	1.0
252.09134	1.2
263.08481	1.1
265.09793	0.9
303.11469	0.9
328.10831	1.2
330.12576	2.0
340.10715	1.1
342.12381	2.6
344.14087	0.9
358.11957	1.3
397.13486	1.8
414.14841	1.0
419.10559	1.9
437.12613	1.3
446.17386	2.5
447.14499	1.7
491.17258	3.0
503.17532	1.8
519.16602	7.1
520.17090	1.8
577.20453	1.7
579.18872	1.3
591.18988	1.1
605.20764	3.5
606.21063	2.4
607.21918	8.0
633.19574	1.3
637.22491	1.8
638.21320	1.4
642.54199	1.0
665.22577	48.8
666.23114	29.8
667.24084	8.6
697.25146	100.0
698.25500	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97833	1.4
61.98815	3.2
69.30869	5.4
69.31280	4.7
71.30706	1.6
95.66347	1.5
106.06644	4.3
106.23679	1.2
110.90513	1.3
120.04526	2.5
122.06094	2.4
132.04634	1.9
134.06088	2.0
180.08371	1.3
200.07219	1.6
205.16626	1.4
211.08786	1.5
220.55379	1.5
225.10399	2.1
232.95815	1.4
239.08185	1.7
251.08363	1.6
281.09210	2.1
342.12515	2.7
358.12186	2.6
386.11700	1.7
446.17538	1.8
449.15979	1.6
491.17395	2.0
519.16687	7.8
520.16968	2.3
577.20770	2.8
579.18939	2.1
605.20532	3.1
606.21576	2.5
607.22095	11.0
608.22845	3.3
665.22540	37.3
666.23077	28.2
667.23926	6.6
697.25165	100.0
698.25494	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19301	2.6
61.98832	6.2
70.16756	8.3
70.32487	2.5
78.47746	2.2
92.99485	2.3
96.96011	2.8
121.06728	2.5
197.07346	3.8
225.06779	6.2
226.07535	6.1
227.08272	4.1
237.10356	4.3
239.08270	3.4
239.11940	4.4
251.08316	3.4
253.06241	3.2
254.06834	2.4
265.09851	2.8
272.87576	2.7
279.48920	2.9
311.10324	3.3
377.65234	2.7
463.18076	3.8
477.15497	3.3
490.16589	4.1
491.17514	5.9
492.18335	2.6
504.14474	4.9
518.15912	5.4
519.16907	9.8
520.17670	5.3
579.19122	2.8
605.20465	4.3
606.21661	4.2
607.21234	3.3
665.22571	89.8
666.23016	38.3
667.24182	5.0
677.37177	3.1
697.25269	100.0
698.25385	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03433	0.5
59.01095	0.4
59.01384	7.1
61.98821	0.6
68.99821	1.6
69.03460	0.6
71.01041	0.3
71.01393	4.1
72.99316	0.5
73.02946	1.0
75.00895	0.7
83.01395	1.4
85.02966	4.0
87.00878	1.0
89.02445	1.0
89.33720	0.2
95.01408	0.5
97.02964	0.3
98.21720	0.4
99.00893	3.1
101.02454	2.9
108.14578	0.2
108.15928	0.3
109.02905	0.3
111.00875	1.4
113.02467	4.6
113.99602	8.0
115.00394	4.3
119.03511	0.4
123.00939	0.3
124.59478	0.2
125.02396	0.2
127.00365	1.9
129.01952	1.6
131.03555	0.3
139.00401	0.7
141.01930	0.4
157.01450	3.2
161.04562	0.5
169.01498	1.2
174.01714	8.8
175.02489	1.3
175.03876	0.3
183.76732	0.3
221.62862	0.3
230.46352	0.2
241.53658	0.2
250.16316	0.3
255.03020	1.0
277.05673	13.7
278.06079	0.8
283.02579	0.8
284.03146	0.4
285.04007	1.6
291.17981	0.3
337.07797	100.0
338.08148	7.5
405.06696	1.9
428.50562	0.2
488.09601	0.8
498.28522	0.3
593.35529	0.3
618.71564	0.3
697.25323	2.3
697.39935	2.6
698.25897	0.7
698.39484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18555	1.7
59.95682	1.8
61.98842	4.0
69.01883	1.9
69.11206	4.8
69.11617	9.7
80.96527	3.2
94.88545	1.6
94.98078	1.7
96.95999	2.6
106.06599	2.0
116.58598	1.6
162.83911	2.9
175.50067	1.8
211.08702	3.4
237.06496	2.1
237.10370	2.0
325.85867	1.9
415.15494	2.4
417.17258	2.1
430.14325	3.1
443.15012	2.4
444.15622	2.9
445.16525	8.7
446.17480	2.3
458.17233	2.1
459.18408	9.7
460.18829	4.9
461.19922	2.8
472.15207	3.5
473.16287	5.4
474.16721	3.8
487.17746	15.3
488.18582	22.8
489.19592	13.5
501.19766	3.4
503.17130	2.7
504.18323	2.2
505.19022	2.4
531.16681	5.4
533.18335	3.6
545.19336	1.9
546.19037	4.8
547.19836	21.8
548.20251	7.4
575.22656	5.2
577.26813	3.4
601.20923	5.5
605.24054	5.1
619.21918	2.3
633.23651	56.6
634.24261	61.8
635.24988	26.1
636.25317	3.5
650.24158	2.3
665.26270	100.0
666.26520	30.7
697.29034	15.8
698.28735	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	697.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03447	1.6
59.01387	10.2
69.51125	3.5
71.01389	13.5
72.99335	0.8
73.02953	5.7
83.01401	4.3
85.02966	7.2
85.58340	0.7
87.00890	1.0
89.02462	1.1
95.01412	1.2
98.21857	1.2
99.00904	2.7
101.02460	12.2
104.33965	0.5
107.74230	0.7
110.43941	0.6
113.02475	4.9
125.02440	0.6
161.04634	1.3
356.13336	0.7
407.29440	1.5
423.28940	1.2
425.31134	0.6
473.32877	0.9
697.38104	100.0
698.38428	30.9
698.50781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
58.00600	2.4
59.01387	39.7
60.69952	0.5
60.99304	0.6
61.98831	1.2
69.45252	1.0
69.45645	2.8
71.01391	30.3
72.01753	0.9
72.81379	0.6
72.99316	3.2
73.02930	1.1
83.01407	1.8
85.02962	7.9
87.00901	2.0
89.02457	31.3
95.01422	2.9
99.00916	1.4
101.02452	17.1
109.03043	0.7
113.02469	11.9
116.92885	1.0
119.03516	12.4
123.00906	0.6
123.27297	0.7
124.58808	0.6
125.02471	0.9
131.03574	0.9
135.04539	1.0
143.03496	1.1
149.02437	1.1
149.04587	1.4
161.04556	1.7
161.20465	0.6
163.03944	0.7
175.04099	0.8
179.03548	1.3
179.05667	4.1
193.05066	1.2
195.06662	1.4
205.05013	0.7
285.04300	0.7
331.12018	1.7
371.78574	0.7
373.25665	0.9
389.28745	0.8
583.98309	0.8
635.38202	1.1
666.23059	1.6
697.38104	100.0
698.38422	24.2
712.18964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71990	0.3
54.58243	0.3
57.03441	0.6
57.07211	0.3
69.03425	0.3
71.01376	0.3
83.05009	0.5
84.02151	0.4
85.02951	0.4
88.83488	0.4
91.07403	0.3
97.06565	0.4
99.08182	3.2
106.39544	0.4
125.09732	1.1
125.38205	0.3
127.11320	1.7
127.76893	0.3
129.09219	0.4
139.11270	0.9
149.02458	0.5
155.14445	0.5
165.12868	1.3
167.14459	0.8
171.10310	4.0
183.13922	3.8
193.12329	1.3
207.04187	0.5
208.03839	0.3
209.05847	1.4
209.11861	1.2
211.13435	23.5
212.13753	1.4
223.06192	0.9
227.06004	0.4
229.14487	13.7
229.61140	0.5
230.14835	1.2
235.07590	0.4
237.09012	1.0
247.07468	0.8
249.08998	7.1
250.09273	0.7
263.06125	0.5
265.07660	4.5
267.09305	7.5
268.09579	0.5
269.50806	0.3
279.05692	0.5
279.50385	0.3
292.97321	0.3
293.21298	0.6
311.08163	1.4
311.22266	0.4
329.23380	100.0
330.23718	10.2
349.17062	0.6
367.18875	4.9
368.19141	0.7
411.17789	0.5
421.19397	0.5
461.22339	2.4
524.77155	0.3
579.31946	0.7
597.33612	0.5
697.42212	13.8
698.42212	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	698.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
60.88637	0.2
61.98836	100.0
62.98538	0.3
64.33253	0.2
70.88823	0.3
70.89153	0.5
74.95197	0.2
75.92847	0.3
115.88512	0.3
128.07597	0.3
128.62100	0.2
138.98708	0.2
252.92636	0.2
316.31113	0.2
372.99814	0.2
389.89090	0.2
416.28323	0.2
421.38635	0.2
445.90012	0.2
469.45892	0.3
579.06042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26981	78.0
83.14761	43.3
84.62838	37.0
107.75839	40.0
143.07149	100.0
178.86154	39.2
214.34464	42.6
215.35008	45.9
277.21735	62.3
290.91122	45.8
291.23175	48.5
497.27032	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78799	1.7
60.27036	1.2
61.98838	2.4
65.96084	1.3
67.72697	1.3
98.22583	2.4
101.68491	1.4
106.92876	1.8
119.94926	1.3
133.81099	1.4
217.58232	1.4
219.42043	1.3
225.66995	1.5
255.23355	1.9
293.09604	1.6
315.40228	1.4
481.11597	2.4
496.13934	3.6
497.14749	4.5
511.16397	3.2
512.16864	2.5
544.16284	3.1
571.18567	6.6
598.19897	1.7
599.21381	2.6
602.16632	1.8
623.16473	1.8
657.22406	12.9
658.22272	6.1
700.22662	100.0
701.22839	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02441	32.7
54.15937	29.8
61.98844	46.2
66.41940	36.4
71.27290	37.9
71.27645	40.4
72.34223	37.6
75.29532	34.1
86.01608	33.0
97.24406	34.2
213.38907	36.5
277.21698	100.0
291.23300	66.4
303.89151	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.30465	4.3
61.98841	7.9
68.45631	5.0
69.09501	34.8
69.09914	7.6
70.66923	4.4
78.95914	5.0
85.54421	5.0
88.70709	5.3
96.96005	4.8
98.58636	6.3
120.15034	5.2
158.97839	5.0
185.76544	4.9
463.10684	5.0
481.15085	37.0
482.15500	10.1
495.16794	13.4
555.18958	50.4
556.19104	13.9
572.15320	11.3
586.17474	7.8
641.22571	29.6
701.24713	52.4
702.24908	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03452	2.6
58.00604	4.4
59.01385	100.0
69.03568	9.7
71.01387	69.4
72.01737	1.0
72.42189	0.9
72.99306	6.0
73.02942	2.7
75.00903	1.1
83.01402	3.9
85.02959	15.4
87.00880	6.7
88.98822	1.7
89.02454	98.9
90.02781	1.3
93.03437	1.7
95.01394	4.8
97.02972	1.1
98.22514	2.2
99.00857	1.3
101.02451	42.4
106.16660	0.9
108.02194	1.3
111.00834	1.4
113.02456	30.9
114.02820	1.5
119.03515	49.2
120.03828	1.1
121.02975	1.4
123.04521	0.9
125.02464	1.9
131.03499	6.2
133.02957	1.4
134.03720	2.0
135.04497	1.4
143.03526	8.2
145.02979	3.6
146.03711	1.8
147.04538	2.0
149.02432	1.5
149.04587	4.4
150.03236	1.8
161.02464	4.0
161.04575	13.5
162.03238	21.0
162.04657	1.8
163.04019	1.9
164.04823	1.1
165.02017	1.7
165.05534	1.7
166.06363	4.1
177.05592	13.2
178.05949	1.2
179.05624	33.2
179.07190	1.7
180.04248	2.4
181.08722	4.2
191.05589	5.5
193.05074	1.9
195.06650	4.8
206.08235	1.9
219.06592	3.6
263.03384	2.1
297.63193	1.1
335.01889	3.6
343.14148	4.9
357.11926	1.8
367.10117	1.4
491.18951	1.9
503.19028	2.7
563.21844	1.2
583.25806	1.8
653.90265	1.0
701.26794	9.0
702.27277	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	701.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03449	1.3
58.00596	4.4
59.01387	100.0
60.01709	1.1
61.98823	1.3
69.02680	10.3
71.01391	61.2
72.99310	4.3
73.02951	3.8
73.76923	1.1
82.22784	1.2
82.93272	1.0
83.01395	4.2
85.02963	12.8
87.00866	5.6
87.01654	0.9
89.02455	84.0
93.03458	1.8
95.01421	4.5
99.00898	1.6
101.02452	36.7
108.02183	1.5
113.02460	27.6
119.03518	41.0
121.02960	1.4
125.02441	1.2
131.03499	4.6
134.03796	1.4
135.04546	1.5
143.03499	8.2
145.02989	3.8
146.03726	2.0
149.02437	1.5
149.04579	4.0
150.03268	1.5
151.96024	1.1
161.02452	3.0
161.04547	10.4
162.03252	19.8
163.03922	2.1
165.05606	2.1
166.06381	4.7
167.07004	1.2
177.05592	13.1
179.05626	30.6
180.04329	1.7
181.08777	3.2
191.05614	5.6
195.06668	1.6
219.06653	2.8
263.03406	1.8
335.01898	5.1
343.14233	4.8
357.12137	1.3
491.19339	1.4
503.19043	3.4
701.26703	9.0
702.27863	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	701.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
57.03450	1.8
58.00581	1.1
59.01392	23.9
59.40740	0.8
69.24947	5.3
71.01392	19.8
72.99349	1.4
73.02957	8.1
75.00888	1.4
83.01404	4.3
83.52299	0.8
85.02961	12.0
86.00131	1.5
87.00902	2.1
89.02437	7.8
93.03477	2.8
95.01419	2.5
98.22565	1.7
99.00897	3.9
101.02464	19.5
109.03009	1.4
110.71168	0.8
111.00906	1.8
113.02457	8.1
119.03534	2.2
121.02977	4.9
122.03789	5.3
123.04534	1.0
125.02415	1.3
128.59409	1.0
129.01994	1.3
132.02206	1.2
133.02972	6.0
134.03758	3.7
135.04590	1.7
136.01701	1.6
147.04494	1.2
149.02463	32.4
149.03639	1.9
149.06122	2.5
150.03253	39.6
151.03680	1.8
161.04564	2.0
162.03194	1.2
164.04845	7.1
165.05586	31.6
166.06377	6.7
167.07191	1.2
173.04568	1.2
179.05623	2.3
180.04324	2.2
181.08707	9.3
191.05585	3.9
193.05118	1.1
195.06662	10.6
235.11884	1.4
283.09839	1.5
314.11758	5.3
315.12433	1.6
329.13953	18.0
330.14532	1.9
333.21121	0.9
343.14056	10.5
357.15350	1.3
375.28464	0.9
491.19333	96.4
492.19681	14.2
539.21411	100.0
540.21735	14.4
653.24585	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.3
58.00586	3.4
59.01384	54.1
60.01707	1.4
61.98824	3.6
71.01031	2.1
71.01392	28.1
71.27624	1.6
72.99323	2.1
73.02954	1.3
80.85378	1.4
83.01395	2.9
85.02959	7.6
87.00908	2.0
88.98822	1.5
89.02451	28.8
97.41198	1.3
98.02466	1.8
99.00922	1.8
101.02452	15.6
106.06653	5.1
111.81197	1.5
112.04066	3.2
113.02459	10.3
116.05080	8.4
119.03519	9.8
121.02945	1.7
122.06135	2.5
123.03251	6.0
124.04041	3.8
132.04573	5.5
134.06142	71.1
135.06468	3.6
138.05617	16.9
149.04665	1.6
152.07190	7.1
158.02470	2.2
160.04054	33.2
161.04424	2.9
164.07162	6.0
166.05128	1.4
184.06166	2.8
190.05109	18.0
191.05579	3.2
192.06688	86.1
193.05260	2.6
193.07005	6.0
196.94183	1.2
204.06726	6.5
255.11383	4.3
266.06955	1.6
267.11420	2.5
281.09366	7.2
293.09277	4.2
307.10898	9.4
311.14001	4.2
314.12564	6.3
337.12131	1.9
339.13519	26.8
340.13882	4.6
487.17279	39.3
488.17612	5.4
517.18188	7.6
519.19916	100.0
520.20111	16.6
582.24249	2.9
608.22858	9.8
609.22931	2.2
626.23621	34.6
627.23639	8.4
640.25500	2.5
652.21704	3.4
658.27252	1.4
670.12384	1.8
670.22693	23.3
671.22711	5.2
684.24298	13.1
685.24786	2.4
699.05133	1.4
702.13708	2.1
702.25189	29.2
703.25208	7.4
732.66876	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	702.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.5
58.00587	2.0
59.01387	61.8
61.98814	1.7
65.29059	2.0
65.98998	1.6
71.01392	26.6
71.27567	1.9
73.02954	1.9
83.01415	2.6
85.02958	8.1
87.00877	1.7
88.98837	3.1
89.02454	29.0
101.02450	19.4
106.06630	5.0
112.04044	2.3
113.01778	2.1
113.02441	11.7
116.05067	9.5
119.03539	7.9
122.06126	4.6
123.03288	5.7
130.08727	3.3
131.03535	1.5
132.04562	6.2
134.03819	2.0
134.06143	70.6
135.06589	1.8
138.05629	16.9
149.05983	1.9
152.07173	7.4
158.02449	3.6
160.04047	25.5
164.07208	7.1
164.46912	1.6
172.04074	1.8
176.03297	1.5
179.05545	2.1
184.06187	3.5
190.05113	15.3
191.05618	5.4
192.06682	99.2
193.05214	2.8
193.07014	5.8
198.62682	1.8
200.90297	1.6
204.06645	6.3
255.11320	4.1
267.11368	3.2
273.11569	1.9
281.09421	5.0
307.10892	5.7
311.13928	2.6
314.12491	8.3
314.20886	4.8
335.02084	2.1
337.11942	2.4
339.13550	29.1
340.13824	5.6
414.14566	2.0
487.17227	25.1
488.17630	4.5
517.18109	6.5
519.19879	100.0
519.49872	1.7
520.20166	16.0
582.24811	2.5
584.25903	2.5
608.22784	6.0
626.23566	26.2
627.23071	4.9
652.22125	2.2
670.22534	28.0
671.22809	5.5
684.23975	7.5
702.25220	38.2
703.24908	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	703.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.9
56.47745	1.1
57.03437	1.4
59.01104	1.8
59.01384	32.3
60.97385	1.3
61.98831	7.0
71.01392	17.3
72.99300	2.3
73.02954	3.4
75.00890	11.4
79.14573	1.2
83.01388	6.8
85.02946	6.1
87.00874	3.4
89.02466	9.1
89.43095	1.3
96.95988	1.8
98.51140	1.3
99.00880	6.7
101.02471	8.6
101.03018	1.4
103.00372	7.0
111.00912	2.8
112.98826	9.7
113.02463	6.7
114.98418	1.4
115.00490	1.1
117.01904	2.6
119.03548	3.4
131.03481	1.7
134.46516	1.2
135.03000	8.5
145.01451	5.1
154.99849	2.5
156.35277	1.3
161.04546	1.6
167.62857	1.1
171.01079	1.2
179.05623	2.7
229.94897	1.8
231.03177	8.7
255.02954	5.9
263.05890	3.3
264.19873	1.4
283.02475	5.3
284.03159	2.1
285.04114	4.2
291.50388	1.3
483.17322	1.9
643.33807	2.0
661.34711	3.1
665.39276	18.2
666.39441	4.9
667.39343	12.3
668.39807	1.6
703.22754	100.0
703.36658	6.4
704.22949	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	703.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01384	65.4
60.19898	1.5
68.35219	1.3
69.04400	10.5
69.04816	4.7
71.01388	16.6
72.99300	1.6
73.02937	4.9
75.00879	3.8
75.41868	1.4
81.03467	1.9
83.01378	6.2
85.02945	6.9
87.00886	3.0
89.02456	8.5
93.03454	3.3
95.01379	6.1
99.00878	2.8
99.04507	3.7
101.02454	8.4
108.02187	98.0
109.02975	78.6
110.03313	3.7
113.02481	7.2
119.03512	4.3
121.02967	3.5
123.00888	2.8
123.04491	4.2
135.03041	10.4
135.04538	2.3
138.03227	4.6
150.19206	1.6
151.04016	3.6
152.01172	100.0
153.01967	48.7
153.05592	22.2
154.02295	3.3
154.99892	2.4
161.04533	4.1
163.04053	3.0
165.01945	1.8
179.05585	3.1
193.94846	1.6
207.13908	2.1
209.11804	5.8
225.14937	2.8
227.12885	14.7
253.07205	1.8
269.13907	3.0
287.14993	4.5
297.06183	1.8
315.07224	13.2
357.08151	9.0
438.58371	1.8
507.18729	2.9
523.21808	4.5
525.19714	3.9
541.22681	9.3
542.22955	1.9
567.21191	5.6
569.01904	1.6
585.21710	75.9
586.21771	11.9
626.39911	1.8
659.25171	4.8
703.24628	89.9
704.24945	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	703.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
58.00604	2.3
59.01387	38.3
61.98833	17.9
70.79369	3.4
71.01393	36.3
72.99316	3.3
73.02947	5.2
83.01397	3.0
85.02962	9.1
85.92324	1.4
87.00883	1.6
89.02458	35.4
89.88535	1.5
93.03466	3.1
96.96043	1.9
99.00893	2.6
101.02465	18.2
102.80296	1.7
102.99140	1.4
112.98762	1.4
113.02468	13.5
119.03519	13.8
121.02962	3.8
122.03769	11.5
135.04510	2.7
136.01674	2.2
143.03575	3.5
149.02443	20.7
149.04564	2.5
149.06041	2.2
150.03247	75.7
151.03632	4.3
161.04587	5.4
164.04819	7.5
165.05591	73.7
165.06662	1.6
166.05934	5.2
179.05647	24.1
180.04292	4.2
191.05676	3.4
195.06651	32.4
196.07022	1.9
316.09476	3.6
325.10901	2.4
325.48462	1.6
331.11942	16.8
332.12369	1.6
493.17233	53.9
494.17780	7.6
505.17313	2.9
508.83130	1.9
541.19385	100.0
542.19775	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	703.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07928	1.5
55.01866	1.9
57.03443	2.7
59.01387	100.0
60.01686	1.7
61.84364	1.5
61.98835	2.9
65.62954	1.4
69.03490	1.7
71.01391	17.1
72.99316	2.5
73.02952	9.7
75.00867	7.0
80.23928	1.5
83.01405	13.0
85.02937	4.8
87.00832	1.6
89.02471	7.6
93.19336	1.3
96.90334	1.6
96.96049	2.4
97.06625	1.9
99.00870	2.0
99.04517	2.2
101.02454	11.3
101.59720	1.4
107.05006	2.4
108.02196	10.0
109.02969	11.9
112.34441	1.5
113.02480	7.8
119.03500	3.2
120.02181	7.0
123.04507	3.2
128.99113	1.8
134.25357	1.9
135.03012	10.9
135.04558	2.1
137.09738	1.9
138.03246	14.3
139.03990	5.3
152.01180	10.0
153.02011	9.5
153.05594	100.0
154.05949	3.6
154.99896	1.9
161.04550	4.3
165.12917	1.7
167.10817	2.5
179.03479	2.9
179.05669	4.5
181.05042	1.8
191.05588	3.1
200.52322	1.4
207.14023	2.1
209.11803	5.7
225.14954	6.9
227.12918	33.3
228.13223	1.9
233.11745	2.7
268.03738	2.0
269.13934	5.4
285.04028	4.4
287.15100	8.6
311.15057	1.8
315.07175	2.5
337.08066	2.3
431.19122	5.1
479.52109	1.7
511.22186	1.7
541.22870	2.6
567.24335	5.5
585.25671	77.8
586.26099	10.7
683.42505	1.7
703.28198	39.2
704.28485	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	703.369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32951	0.8
55.01884	1.3
57.03452	1.3
58.00584	0.9
58.34050	0.9
59.01385	27.4
61.98831	2.2
69.01693	1.9
69.02110	6.8
71.01392	21.4
72.99305	1.4
73.02962	6.7
75.00890	4.4
83.01395	2.6
83.05037	1.1
85.02958	8.3
87.00867	2.3
89.02454	16.9
95.01403	2.4
98.22533	1.9
99.00883	2.3
101.02448	15.0
101.07835	1.0
113.02462	12.0
113.03179	1.1
113.65120	0.8
119.03523	6.0
119.04991	0.8
125.02482	1.0
127.08975	0.9
129.01942	0.9
131.03555	1.0
135.03009	13.6
143.03534	2.0
159.02948	1.0
161.04549	4.0
179.05602	1.9
260.08698	0.9
285.04016	3.2
445.53198	1.0
455.22559	1.3
505.34021	5.5
643.33813	1.3
661.34473	1.2
667.39154	100.0
668.39557	21.1
703.36877	26.4
704.37384	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	704.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51119	0.1
55.20153	0.1
59.01384	4.6
60.01735	0.2
61.98838	100.0
64.25653	0.2
74.24823	0.1
98.21741	0.3
100.40297	0.1
109.76236	0.1
198.55977	0.1
312.61588	0.1
441.14218	0.2
482.15240	0.2
483.15549	0.4
484.15411	0.9
497.17902	0.2
498.17322	0.5
542.16711	0.2
543.17377	0.3
557.19257	0.5
558.19165	2.1
574.15857	0.2
575.16174	0.5
644.23053	1.1
704.24579	2.4
705.24298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
59.60606	0.7
65.56487	0.6
68.97210	0.6
69.12076	4.1
69.12494	1.3
71.01377	2.3
85.02953	1.5
85.33947	0.6
89.02428	0.6
93.03465	46.6
94.03805	2.0
98.21802	1.3
99.00853	0.7
101.02480	1.3
105.16177	0.6
113.02451	0.9
137.02457	100.0
137.91148	0.7
138.02809	4.6
141.61519	0.6
148.08736	0.6
151.03978	0.6
163.04070	0.7
168.51334	0.6
185.10489	0.7
191.05525	3.3
223.06065	0.8
229.01404	1.5
242.50369	0.6
248.15196	0.6
250.74773	0.6
285.95880	0.7
299.07739	16.2
299.11047	1.1
299.19031	0.6
300.08115	1.1
302.52557	0.7
339.05078	1.5
375.13782	0.7
392.84186	0.7
513.10437	2.2
705.19159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.0
60.43578	1.8
66.00564	2.0
71.01385	11.7
71.28372	2.5
73.02940	3.7
81.71722	1.7
85.02972	2.8
89.02444	6.4
94.09708	1.9
99.89335	2.4
101.02460	5.3
102.24113	1.9
105.36388	2.6
113.02477	5.3
153.09280	3.7
158.25867	1.8
177.42805	2.2
205.12318	5.7
273.22076	3.4
277.21759	100.0
278.22015	9.8
291.23312	31.4
301.21814	3.1
319.22925	13.4
326.75943	2.1
367.17755	4.4
385.18570	6.8
405.28470	2.0
529.22137	3.3
538.11133	7.0
539.11389	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	706.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.9
61.98837	100.0
71.01384	0.8
73.02967	0.4
85.03001	0.4
89.02451	0.4
96.96059	0.3
98.22551	0.5
101.02508	0.4
111.00909	0.2
113.02467	0.5
119.03540	0.3
158.07603	0.2
161.04611	0.3
179.05717	0.3
197.04710	0.3
483.32867	0.3
484.32782	0.3
644.37201	0.3
645.37939	0.3
646.37775	1.3
671.22241	0.3
707.40631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81062	1.7
55.01870	5.1
59.01377	5.9
61.98837	2.0
62.45355	2.0
71.01399	14.4
71.26538	2.8
72.99316	8.7
73.02949	3.2
75.00883	4.9
83.01401	40.0
85.02947	2.3
87.00897	4.0
89.02461	3.4
93.03454	5.7
96.96013	2.7
99.00910	2.9
99.04536	3.3
101.02483	4.3
108.02205	3.2
111.00889	19.3
112.98825	75.9
113.02470	3.1
115.00406	4.9
117.03503	1.9
119.03542	2.4
121.02962	10.4
122.03764	6.1
123.04559	2.1
123.05785	1.9
127.00399	38.8
129.01956	3.4
133.02979	7.1
134.03767	67.5
135.04134	2.1
136.01707	12.1
137.02487	10.2
139.04066	5.4
145.01436	5.2
145.17133	1.8
146.03775	1.8
147.02994	1.9
149.02473	20.1
149.06108	16.8
150.03246	53.7
151.00439	3.2
151.04051	18.7
154.99881	33.9
160.01675	7.9
163.04109	2.1
164.04813	4.4
165.05585	62.1
166.02823	5.5
166.05920	2.5
175.04025	9.0
177.02068	2.0
178.02744	33.2
179.03198	1.7
180.04317	3.4
181.05125	8.9
191.05623	6.5
192.04312	1.9
193.05086	100.0
194.05460	6.1
195.06625	29.3
196.06976	2.0
217.01434	3.6
218.05997	2.2
232.03760	3.5
233.04649	4.7
233.08153	2.7
235.06146	5.2
261.07706	3.0
267.06793	2.6
271.06171	5.2
282.09073	6.8
283.09534	2.2
286.08658	2.9
301.10867	6.5
323.07782	8.0
341.10345	20.9
349.13083	3.2
389.12460	25.3
390.12759	4.9
415.46213	1.8
497.18091	6.3
501.14319	2.4
517.13623	20.2
518.13879	4.4
519.14807	2.7
545.12805	2.7
545.20313	4.3
547.14648	4.3
551.17688	6.5
591.17157	2.9
663.20325	2.5
679.18854	22.8
680.18793	5.5
689.16931	2.0
707.17975	15.3
708.18634	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	707.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.8
59.01370	2.4
67.01913	4.4
69.10770	5.5
71.01382	2.8
81.03484	1.3
83.05051	1.2
85.02953	7.2
87.00883	1.8
93.03466	26.4
94.03796	1.5
107.05078	0.7
109.02963	1.9
110.87056	0.7
111.00864	1.0
111.04523	4.1
117.31007	0.6
117.73784	0.6
127.04008	1.8
133.02992	1.9
134.03769	3.2
135.04546	66.6
136.04863	3.6
137.02469	5.1
155.03531	5.2
161.02423	3.6
173.04568	100.0
174.04932	5.0
179.03517	61.6
180.03882	3.9
191.05630	52.7
192.05978	1.4
353.08807	71.0
354.09122	7.5
400.47479	0.6
466.01480	0.7
533.12921	1.7
707.18427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
60.99300	0.3
63.45768	0.3
67.96373	0.3
68.00404	0.3
69.36526	2.2
71.01388	1.0
85.02962	6.5
87.00871	1.3
93.03462	2.9
99.04547	0.5
109.02972	0.6
111.04538	1.2
113.02430	0.4
119.46328	0.3
127.04047	1.5
133.02942	0.9
133.71292	0.3
134.03543	0.4
135.04523	1.2
143.03621	0.4
149.42743	0.3
161.02408	1.6
171.02991	0.5
173.04553	1.7
179.03481	0.6
190.05109	0.3
191.05630	100.0
192.05969	5.1
351.07346	0.4
353.08801	12.0
354.09076	0.9
388.18167	0.3
402.15457	0.3
430.05743	0.4
511.74094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19139	3.2
55.01881	11.3
57.40480	3.0
59.01384	73.9
68.03229	3.2
68.99828	3.3
69.31461	6.9
69.31866	15.3
71.01403	22.4
72.99316	9.1
73.02959	9.3
75.00870	8.6
79.20906	2.8
83.01394	24.6
85.01054	7.9
85.02964	9.8
87.00889	43.9
88.98847	3.7
89.02447	11.2
96.96049	7.5
99.00908	13.6
101.02462	14.3
103.00379	5.8
111.00909	17.7
112.98830	52.1
113.02483	8.5
113.99171	2.9
115.02130	5.4
127.00408	9.8
127.02106	4.6
129.01964	10.6
143.01663	3.6
145.01445	94.5
154.99883	53.0
156.00287	3.3
169.01456	16.2
171.00984	4.0
173.02609	3.9
187.02475	7.6
189.02232	7.4
207.13919	5.1
209.11745	3.9
213.02206	3.9
225.14972	5.5
227.12906	17.0
231.03099	3.5
247.76375	3.0
263.05856	3.7
269.13950	4.4
287.15094	16.8
295.13742	18.2
296.10809	3.1
296.14267	3.6
483.16977	22.1
484.17468	4.8
493.46991	3.7
515.19409	17.4
585.19897	11.8
595.17871	4.5
601.19794	4.4
611.17865	13.4
617.22601	65.9
618.22943	14.0
639.17450	13.7
640.17932	5.1
643.20898	4.0
645.22583	8.6
657.18884	4.3
671.20203	24.3
689.20697	9.0
707.22260	100.0
708.22437	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	707.2426
Annotation	Jasplakinolide
Peak:m/z	Relative Intensity
55.01870	2.6
57.03446	1.6
59.01388	59.5
64.00712	1.2
68.99820	3.2
69.03446	2.0
71.01398	15.1
72.99309	2.3
73.02956	4.2
75.00871	7.4
77.66891	0.9
83.01370	6.5
85.02959	10.1
87.00864	6.5
89.02464	8.0
93.03506	1.6
95.01405	1.7
96.96016	1.4
97.06591	1.3
99.00906	6.2
99.04549	5.1
101.02452	5.7
111.00891	6.5
112.98791	5.7
113.02459	10.8
113.99599	12.2
115.00390	9.9
117.01934	1.8
119.03535	2.2
119.71764	1.2
125.02466	2.6
127.00407	4.0
129.01959	3.2
131.03525	2.2
135.02998	7.8
139.00392	3.6
143.03580	2.1
145.01416	6.5
154.99860	7.8
156.87297	1.2
157.01453	4.1
161.04568	1.2
165.12856	4.7
168.56993	1.3
169.01369	2.4
174.01704	5.8
175.02495	4.4
179.05612	2.0
189.12892	2.4
191.05760	1.7
207.13898	9.4
209.11888	9.0
213.88518	1.4
225.15080	2.0
228.85709	1.4
251.12979	3.8
263.07993	1.3
269.13965	27.9
270.14267	1.8
277.05698	17.5
287.15005	1.5
295.13495	2.1
311.15393	1.5
319.06686	15.9
337.07809	31.0
338.08133	3.9
387.16660	17.4
388.17035	3.9
429.18182	1.8
470.87875	1.4
483.17346	1.7
499.16669	4.4
515.19299	3.3
529.17291	1.4
545.18604	2.9
589.21375	17.0
590.21478	2.9
611.18018	1.6
617.22717	2.5
639.17450	1.3
643.19617	1.5
671.19849	1.9
707.23956	100.0
708.24365	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01138	0.9
59.01389	11.8
62.01622	1.3
63.02405	8.5
69.40689	4.7
71.01388	9.7
72.99300	1.7
73.02943	3.0
75.00874	2.8
77.21664	0.7
83.01384	2.1
85.02953	6.0
85.06596	6.2
87.00874	1.8
89.02460	6.5
93.03471	1.7
95.05022	1.9
96.96024	2.3
97.02937	1.4
97.06588	1.7
101.02461	5.6
106.04260	1.0
107.05033	2.5
109.02950	1.0
111.00860	1.2
113.02445	2.6
115.07677	3.1
117.01907	1.2
117.03397	0.9
119.03522	1.2
121.02962	2.0
125.06114	5.2
133.02948	2.7
134.03757	56.1
135.03050	7.4
135.03978	0.8
135.04494	2.6
137.02470	9.9
139.04022	3.3
143.07152	16.1
145.01416	1.0
149.06097	14.8
150.03246	1.7
150.06520	1.0
154.04253	1.0
156.00693	1.1
159.08157	2.6
160.44237	0.8
161.04565	3.4
161.05931	1.1
173.04597	0.7
174.72791	1.0
175.03926	1.1
178.02736	36.7
179.03160	1.4
179.05608	1.3
182.03749	11.3
189.07689	1.1
189.09261	11.7
191.05661	9.2
193.05078	100.0
194.05458	5.2
197.06091	10.4
207.08159	2.1
209.06088	2.5
223.07558	2.5
224.08464	7.4
239.10771	9.9
242.04948	0.9
283.09766	15.7
284.10004	1.9
285.03763	1.0
287.14859	1.4
311.07724	1.5
319.06757	2.5
323.12933	1.1
337.08020	1.7
350.82721	0.9
365.17572	7.8
375.37390	0.9
409.16672	1.0
545.23950	0.9
565.53595	0.9
589.22931	10.2
590.22992	1.4
590.32043	0.8
644.25043	0.9
707.25476	33.4
708.25684	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	707.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
69.06124	16.4
78.49124	1.6
80.05061	6.8
82.06161	2.5
84.81267	1.6
85.02973	1.9
88.93820	1.4
93.60477	1.5
93.87282	1.7
94.03001	19.8
94.06633	2.5
96.04578	2.2
99.70837	1.5
104.05081	3.0
106.06642	3.8
107.03805	7.7
108.04572	3.4
115.32973	1.6
120.04612	1.8
120.08249	2.2
122.06143	40.2
123.06512	2.3
124.04050	4.3
134.06165	9.7
136.04062	4.1
138.05629	6.7
139.02707	2.3
148.04024	2.8
150.05647	8.5
152.07196	66.8
152.08434	3.2
153.07552	2.1
160.04041	2.0
172.11378	2.5
174.05649	3.2
180.06685	2.1
188.07144	3.0
190.05121	3.2
201.10376	7.3
213.10315	6.3
225.10449	2.8
227.11867	5.7
229.09898	9.3
229.13428	3.9
237.10451	3.7
239.11908	6.1
245.12930	8.3
249.10382	2.1
250.07515	5.7
251.08182	2.5
253.09778	2.1
254.32518	1.8
255.11438	6.6
257.13031	3.2
265.09891	7.1
266.10727	2.5
267.11404	6.7
273.12463	3.0
277.09882	3.5
278.07013	4.8
278.10501	3.1
279.07776	6.6
279.11404	5.0
289.12204	1.8
291.08047	2.1
291.11313	3.0
293.09390	20.3
294.10083	7.4
295.10867	7.7
301.11981	15.7
306.10052	2.0
307.10983	4.8
309.12485	3.3
313.11978	4.2
319.13034	42.8
320.13315	5.3
321.08743	2.2
323.10397	6.5
327.13452	3.4
337.08221	11.2
338.08798	3.5
339.10062	2.4
351.09793	2.2
355.13113	4.4
359.12665	2.3
372.13339	2.4
374.15179	8.1
392.16336	5.7
398.15411	1.6
416.16113	5.6
427.97525	1.6
430.34494	1.6
432.19772	2.1
434.17172	4.2
447.17194	1.9
458.17380	3.3
459.18234	3.8
460.18924	2.9
474.20911	4.2
477.19247	2.5
478.19519	2.5
486.16519	2.1
492.21591	5.1
503.16809	3.3
504.17758	11.4
518.19464	20.7
519.19751	4.2
539.23077	9.4
550.22028	34.8
551.22449	9.0
557.24152	7.3
558.24811	1.9
571.25531	3.1
581.24005	8.0
583.21887	5.3
599.25159	55.0
600.25555	10.8
602.24249	2.6
615.24609	6.8
616.25055	2.8
625.22534	2.2
631.27142	2.7
643.24097	49.5
644.24506	14.5
657.25568	5.6
658.25452	3.4
675.26776	100.0
676.27173	21.6
707.29205	13.4
708.29291	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	707.308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74110	0.2
56.42564	0.2
61.98837	8.1
63.02402	1.9
63.91248	0.2
63.99237	0.4
65.00035	0.2
65.00331	2.0
68.98508	0.4
68.98913	1.7
83.01398	1.1
98.22479	0.3
105.03439	0.4
107.01402	4.1
108.55486	0.2
109.02978	0.7
116.92855	0.4
121.02946	0.6
125.02458	0.3
132.02147	0.4
133.02972	6.5
133.82198	0.2
134.03799	1.4
147.04535	0.3
148.01715	0.5
149.02475	1.5
149.99632	0.5
151.00380	6.7
152.00627	0.3
163.00308	0.2
169.01390	0.4
169.06619	0.3
170.03740	0.2
171.04552	0.6
173.02583	0.3
173.06071	0.2
174.03162	0.2
175.04036	2.9
175.05539	0.3
177.01924	0.5
183.04507	0.8
184.05254	0.4
185.06062	0.6
187.04034	0.7
188.04820	0.4
189.05603	0.4
195.04543	0.3
197.06035	0.4
198.03331	0.5
199.04021	3.0
199.40833	0.2
200.04672	0.9
201.01909	0.7
211.04053	1.3
212.04837	0.5
213.05550	0.7
215.03554	0.6
217.05107	1.2
227.03526	2.4
228.04143	0.5
229.05013	0.2
239.03514	0.9
240.04272	0.4
241.05096	1.0
243.02913	0.6
251.31357	0.2
255.03090	1.8
256.03784	4.4
257.04279	0.6
267.02896	0.5
269.04477	0.3
283.02594	1.1
284.03299	59.8
285.04056	100.0
286.04410	9.3
297.04025	0.5
319.64938	0.3
327.05142	0.8
669.95703	0.2
707.30804	58.6
708.31091	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	708.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
77.50806	0.4
92.61176	0.4
98.21757	1.1
108.65539	0.4
113.25693	0.4
116.02736	0.4
218.32025	0.4
229.16130	0.4
277.21881	0.5
361.09137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95204	0.5
56.16601	0.5
56.24833	0.5
58.08101	0.4
58.56074	0.4
61.98821	0.8
63.02395	1.3
65.00321	1.5
69.14210	1.6
69.14633	2.4
83.01404	1.1
106.77200	0.7
107.01427	3.3
109.02976	0.4
133.02968	5.5
134.03761	0.7
149.02448	1.3
151.00385	5.0
151.03938	0.5
169.01494	0.5
175.04053	2.4
183.04637	0.5
185.06010	0.6
199.04070	2.5
201.01915	0.8
211.04050	1.7
212.04779	0.7
217.05090	1.2
227.03566	1.5
228.03983	0.6
239.03474	0.6
241.05046	1.3
243.03143	0.6
255.03029	1.3
256.03775	3.6
257.04510	0.6
279.23322	0.5
283.02563	1.3
284.03299	54.6
285.04062	100.0
286.04410	9.4
327.05142	1.3
447.08911	0.5
709.32343	90.2
710.32684	26.1
710.45538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89999	0.6
54.23201	0.6
55.01887	2.8
57.03458	3.9
58.00610	3.1
59.01386	100.0
60.01714	0.9
61.98839	3.5
69.03474	1.5
69.86678	1.4
69.87063	1.2
70.15111	0.6
71.01389	68.3
72.01719	0.7
72.99311	4.7
73.02955	9.4
73.68893	0.6
75.00878	1.7
78.73746	0.6
83.01396	6.8
85.02965	20.4
86.00132	0.8
86.03360	0.6
87.00883	6.9
89.02454	56.4
90.02817	1.1
95.01414	6.2
97.02977	2.3
99.00900	4.1
101.02457	42.1
102.02754	1.0
110.39845	0.6
111.00879	1.4
113.02465	33.0
114.02840	1.3
115.00400	0.6
118.98076	0.9
119.03522	23.3
119.04333	1.4
120.03922	0.7
125.02473	3.9
129.02008	1.2
131.03482	3.2
133.01439	0.7
135.03024	3.1
142.06209	0.6
143.03505	7.8
143.10834	2.3
145.01485	0.8
147.03183	0.6
149.04642	2.3
159.03020	2.0
161.04565	17.2
177.05630	1.0
179.05634	15.6
180.06061	0.7
187.84550	0.7
203.05733	1.1
253.09631	0.7
325.27795	2.0
337.08063	0.6
343.28857	2.1
419.15756	0.8
440.28552	0.7
487.32773	9.5
488.33698	0.8
502.80106	0.7
505.34079	10.6
506.34506	1.9
513.10211	0.6
529.34375	0.9
649.38141	54.0
650.38525	11.8
667.39148	40.8
668.39276	9.7
709.40503	9.0
710.41071	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	709.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.6
57.03452	6.2
57.26252	0.7
58.00605	2.4
59.01386	100.0
60.01723	1.3
61.98841	3.2
62.06528	0.7
66.92277	0.7
69.03464	2.4
71.01391	78.3
71.05042	1.8
72.01743	1.3
72.99319	4.7
73.02953	18.1
75.00895	2.8
77.80820	0.7
79.40122	0.7
82.64547	0.6
83.01400	11.4
85.02962	36.9
86.00090	1.2
87.00881	5.5
89.02460	27.2
90.02765	0.8
95.01396	8.1
95.40659	0.8
97.02934	3.8
99.00887	8.5
100.38752	0.7
101.02456	44.3
111.00882	3.8
111.30962	0.7
112.01698	1.2
113.02463	40.0
114.02797	1.4
119.03521	12.2
122.49072	0.8
124.01683	2.6
124.36178	0.7
125.02464	6.8
129.01978	1.8
131.03542	1.8
135.03075	2.3
139.00449	1.1
141.01961	1.1
143.03528	6.5
143.10805	3.6
149.04594	1.1
159.01843	0.7
159.02957	3.6
161.04579	12.5
179.05658	2.3
191.05743	0.9
191.25505	0.8
196.67682	0.8
233.19366	0.8
253.09454	1.0
283.26633	0.9
285.03943	0.8
313.27423	1.2
325.27386	1.8
337.08020	1.6
343.28574	4.1
486.74176	0.8
487.32803	23.0
488.33337	2.6
505.33850	16.5
506.34338	2.5
547.34729	1.2
591.33899	1.1
613.35931	1.0
619.37439	1.1
649.38129	99.4
650.38434	24.2
650.47815	0.6
667.39154	76.3
668.39447	16.7
709.40222	16.3
710.40265	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	710.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21838	3.9
57.12128	3.7
68.56277	3.9
69.10989	36.0
71.01391	4.9
93.03474	5.3
113.93299	4.1
119.05064	4.4
135.04503	8.7
145.02870	4.3
158.03743	21.8
159.04576	4.3
161.02686	4.3
163.04027	6.4
165.05585	10.3
173.04651	7.4
176.04855	3.8
191.05627	18.6
193.05013	4.1
279.06824	4.7
280.07370	30.7
281.08047	6.0
283.09860	9.3
293.08319	5.8
294.09015	21.9
295.06711	7.3
295.09781	75.9
296.09872	8.9
309.07703	20.6
310.08365	28.4
311.09213	4.2
313.10864	58.4
314.11227	8.3
325.10840	100.0
326.11243	12.6
343.11902	40.7
344.12415	5.2
403.33023	5.0
475.16214	22.3
487.16174	18.7
505.17181	84.2
506.17450	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	710.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53545	0.2
56.91476	0.3
59.01384	0.4
61.91626	0.2
61.98836	100.0
63.28112	0.3
66.33081	0.3
69.08769	0.3
69.40784	1.9
69.84447	0.3
89.91401	0.3
114.08527	0.3
150.47908	0.3
214.33829	0.2
263.13284	0.3
589.78259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03461	0.8
58.00115	0.7
59.01386	100.0
60.01717	1.2
68.88698	0.6
69.26495	5.1
71.01391	12.1
73.02956	3.6
75.00884	1.7
83.01413	2.1
85.02962	5.9
87.00887	1.7
89.02447	4.6
93.49642	0.8
96.96056	1.4
99.00902	1.7
101.02448	8.3
107.23589	0.7
111.00955	0.9
113.02447	5.3
119.03568	1.5
119.84130	0.7
149.02446	0.7
150.03281	1.0
159.03043	1.2
161.04559	4.7
165.05693	1.0
179.05685	2.4
191.05647	1.2
227.13167	0.7
248.96315	0.7
269.10361	10.8
270.10898	0.9
311.11475	4.2
325.09497	0.8
339.12326	1.4
369.13742	1.7
496.54111	0.8
531.18628	0.9
711.21088	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	711.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.5
57.03437	1.6
58.00597	1.7
59.01385	40.8
60.01712	1.1
62.99614	0.6
71.01392	25.1
72.99305	2.7
73.02943	2.6
75.00882	0.8
83.01385	2.5
85.02952	6.1
87.00895	1.0
89.02454	19.5
90.02863	0.7
90.89982	0.6
95.01384	2.3
99.00888	1.1
101.02460	15.1
108.58873	0.5
109.71082	0.6
113.02470	10.1
116.92847	1.8
119.03527	6.7
129.02029	0.6
160.80966	0.6
177.96689	0.6
179.05638	0.7
190.62888	0.6
229.21227	0.8
246.50426	0.8
248.11441	0.6
285.30911	0.7
421.27609	4.7
523.20398	0.8
601.33777	0.7
648.83936	0.7
649.35876	0.6
663.33978	11.3
664.34503	2.7
696.41272	0.6
711.36047	100.0
712.36383	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38244	0.4
55.01862	0.6
57.03465	2.1
59.01387	6.3
60.99314	0.5
61.98839	0.9
67.01865	0.4
69.30779	1.3
69.31195	1.5
71.01394	12.1
72.99317	3.1
73.02943	1.0
75.00887	13.7
83.01433	0.5
85.02963	13.9
87.00893	4.6
89.02464	3.0
95.01398	1.4
98.21838	0.6
99.00892	3.3
101.02486	1.1
112.01691	0.6
113.02466	12.1
115.00392	1.6
116.01209	1.1
116.92962	0.4
117.01945	1.3
117.43328	0.4
123.08202	0.7
124.54076	0.4
129.01958	0.8
135.04494	0.6
136.01636	0.7
147.33517	0.4
150.03256	1.1
151.04042	1.3
157.01494	1.0
161.04552	0.7
165.05580	1.0
175.02499	1.4
191.05508	0.9
193.03572	0.8
195.06656	1.0
241.05154	0.8
271.09900	1.0
359.23682	0.4
391.26471	1.9
393.28186	0.8
407.29556	5.8
408.29953	0.9
411.29117	0.4
423.29013	1.4
425.30991	0.6
433.14902	0.9
469.29733	4.3
470.29849	1.2
485.28616	0.5
487.30713	4.8
488.30963	0.9
535.33032	2.9
536.33435	0.9
549.20044	0.7
550.06940	0.4
650.78583	0.5
679.23956	0.5
711.36041	100.0
712.36389	28.1
712.49384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
57.03437	6.1
59.01383	100.0
61.98838	11.2
63.98557	2.0
66.07735	1.9
69.03474	2.1
71.01386	64.6
71.12074	2.7
72.99313	2.8
73.02955	16.1
75.00871	6.5
83.01398	12.5
85.02948	31.5
87.00867	5.0
89.02455	22.5
95.01400	7.8
97.02951	3.2
99.00909	9.1
101.02451	40.8
111.00893	7.7
113.02452	40.1
119.03506	9.2
124.01600	2.2
125.02473	8.4
135.03024	14.6
143.03529	6.7
153.09596	2.0
159.02969	3.6
161.04582	6.7
179.05666	2.3
194.63194	1.8
250.57834	2.1
250.65527	2.1
255.02986	10.6
283.02527	7.2
284.03146	4.6
285.04196	2.8
374.15585	2.0
445.31976	2.9
463.32953	9.8
473.35861	2.2
489.34311	4.4
507.35458	4.1
571.34772	3.6
607.37024	79.0
608.37592	19.0
625.38147	62.2
626.38354	15.4
651.39575	26.0
652.40112	3.6
667.39172	12.7
668.39697	4.0
669.40576	24.7
711.41028	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	711.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24001	3.1
55.01883	2.6
56.48434	2.6
57.03454	4.2
58.00589	2.8
59.01385	100.0
60.13403	2.7
61.98828	19.5
69.03455	3.2
69.09219	7.1
69.09634	17.2
71.01389	62.4
72.99326	5.0
73.02967	14.2
75.00875	11.7
83.01394	12.6
84.29968	2.8
85.02958	27.6
87.00887	5.2
89.02451	21.0
89.38061	2.6
95.01406	5.8
96.96055	3.0
97.02940	3.3
99.00908	5.7
99.59782	2.7
101.02460	34.3
102.02803	2.6
111.00861	6.2
113.02457	22.5
115.99957	2.5
116.08533	2.4
119.03508	6.1
121.02961	2.8
125.02435	7.1
135.03008	30.0
143.03496	2.8
161.04573	8.2
179.05635	3.3
179.07072	4.4
181.26743	2.5
205.15759	3.0
239.09312	5.5
246.46515	2.8
255.02777	3.4
283.02612	3.4
285.04089	6.0
296.17059	2.6
327.21933	3.5
337.07748	4.3
345.29962	4.6
446.03995	3.2
489.35086	5.8
507.35382	8.9
521.29309	4.9
593.29742	3.0
607.36938	31.3
608.37445	7.2
625.38110	21.6
626.38354	4.6
651.39612	43.7
652.40021	6.8
667.38989	4.2
668.39276	3.4
669.40765	29.9
670.41785	4.6
711.39655	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	711.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89503	0.8
51.18981	0.8
55.01894	4.5
56.21091	0.8
57.03458	5.5
58.00604	1.3
59.01385	95.2
68.99863	0.7
69.03445	2.0
69.35983	2.8
69.36392	1.6
71.01391	58.9
72.01727	1.2
72.99300	2.9
73.02955	14.9
75.00871	1.3
79.86499	0.6
81.03465	0.8
83.01402	8.3
84.02160	0.8
85.02957	30.1
86.00114	1.3
86.03310	0.9
87.00883	5.8
89.02454	19.1
95.01407	8.1
97.02971	2.8
98.45224	0.7
99.00885	4.5
100.69168	0.9
101.02456	33.0
102.02789	1.2
111.00877	3.9
112.01680	1.6
113.02467	29.7
114.02760	1.3
119.03493	5.2
124.01653	1.8
125.02467	5.6
129.01945	1.2
131.03508	2.4
143.02496	1.0
143.03497	5.5
149.28252	0.8
159.02983	2.4
161.04584	5.5
169.11841	0.7
179.05701	0.9
257.78162	0.9
285.04071	1.2
299.25980	1.8
345.30084	5.9
489.34320	7.0
490.34781	1.3
507.35519	10.9
508.36084	1.7
541.16156	0.8
577.35956	1.5
603.37048	0.9
615.37646	2.0
651.39667	100.0
652.39978	25.8
669.40717	66.4
670.40955	17.5
711.42004	14.8
712.41949	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	711.418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
56.04130	0.3
57.03457	4.3
58.00605	2.5
59.01385	97.1
60.01714	1.7
68.99814	0.7
69.03459	1.6
69.32750	2.6
70.58147	0.3
71.01389	60.7
72.01723	1.3
72.99323	2.3
73.02956	14.5
75.00882	1.0
81.03470	0.9
83.01399	8.6
84.02180	0.5
85.02960	29.2
86.00109	1.5
86.03303	0.8
87.00888	4.6
89.02455	20.8
90.20013	0.4
95.01396	6.4
96.01761	0.4
97.02959	2.8
99.00890	6.2
99.04552	0.5
101.02455	35.3
102.02814	0.6
111.00895	3.0
112.01700	1.7
113.02467	32.7
114.02809	0.9
115.04052	0.7
117.80341	0.3
119.03527	7.3
124.01651	2.2
125.02466	6.7
129.01965	1.3
129.55164	0.4
129.60127	0.4
131.03523	1.1
141.01915	0.4
142.02805	0.6
143.03513	5.5
143.10799	0.7
143.57372	0.4
145.81169	0.4
149.04593	0.7
159.02997	2.2
161.04590	6.8
179.05609	2.2
197.15535	0.8
239.10938	0.4
283.23114	0.4
299.25937	2.2
345.30069	5.5
346.30493	0.8
348.47607	0.4
387.31299	0.5
450.81445	0.4
489.34406	11.2
490.34872	2.5
507.35419	12.1
508.35464	2.0
549.36542	0.7
577.36200	0.9
603.37146	0.8
615.37512	2.1
616.38745	0.5
651.39673	100.0
652.39990	26.5
669.40723	68.6
670.41064	17.0
670.52667	0.9
711.41937	15.5
712.42450	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	713.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31969	0.8
52.63802	0.7
59.01387	2.3
69.22517	6.9
70.03752	0.9
71.01368	2.1
81.41895	0.8
85.02953	1.4
89.02454	2.4
99.04532	100.0
100.04865	3.1
101.02464	1.5
161.02464	1.1
161.04544	2.7
179.03517	1.5
231.26089	0.9
261.09836	24.2
262.10123	1.9
340.13492	0.9
351.21442	1.1
362.83017	1.1
389.16174	1.8
415.48511	0.9
426.88007	0.9
686.96777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.07492	0.6
57.03452	0.8
58.00594	1.2
59.01386	100.0
60.01735	1.3
60.54101	0.6
65.78462	0.5
69.00437	1.8
69.00860	4.0
69.03458	1.5
71.01392	41.0
72.01722	1.0
72.17030	0.6
72.99320	1.5
73.02959	31.8
74.03304	0.7
75.00884	0.9
75.43038	0.6
81.03472	0.8
83.01405	12.9
85.02960	12.3
86.00140	0.7
87.00880	5.9
88.46451	0.5
89.02459	8.4
95.01415	2.3
97.03000	2.2
98.21788	0.9
99.00886	3.5
101.02457	53.4
102.02809	0.9
113.02465	19.0
114.02863	0.9
115.04090	0.8
119.03531	7.4
125.02471	3.3
126.93102	0.5
131.03534	12.8
143.03525	5.6
149.04573	9.8
155.03537	1.1
161.04584	26.3
162.04968	1.3
179.05659	1.3
183.28453	0.6
191.05571	0.7
203.05629	14.6
203.07420	0.9
221.06686	21.9
222.07149	1.6
263.07764	22.0
264.08121	0.7
305.08798	4.3
421.21997	0.7
469.15897	1.2
648.51709	0.7
652.40466	1.2
653.41089	1.4
671.41687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2615
Annotation	9,9'-O-di-(E)-feruloyl-(-)-secoisolariciresinol
Peak:m/z	Relative Intensity
59.01385	1.9
61.98840	5.6
64.17730	0.8
69.63783	5.2
71.01376	1.7
84.14153	0.9
89.02451	1.0
93.04416	0.8
98.21881	1.1
109.02969	1.2
113.02481	1.1
121.02962	1.7
123.04554	1.1
136.00627	1.2
136.01678	20.9
137.02483	5.4
139.27129	0.9
144.62195	1.0
147.04501	0.9
149.02377	1.3
151.04025	14.1
159.04538	1.2
162.03253	1.7
163.03984	1.2
167.12541	0.9
175.04025	2.0
354.50113	1.0
361.10440	1.0
364.55716	0.9
367.56543	0.9
448.11252	1.0
493.15164	3.1
503.42960	1.2
516.17218	1.2
623.19934	1.4
638.21967	1.1
653.23755	2.1
683.24310	3.2
713.26123	100.0
714.26477	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2615
Annotation	Lappaol F
Peak:m/z	Relative Intensity
56.01340	2.1
56.60926	2.2
59.01373	5.0
61.91803	2.0
61.98837	22.4
63.19154	2.4
69.10748	3.1
69.11070	22.1
71.01371	2.3
93.03478	2.8
105.64838	2.1
108.02211	7.4
109.02971	8.4
121.02981	23.8
123.00887	7.7
123.04532	8.2
124.01650	2.2
125.02507	3.2
134.03748	3.2
135.04553	7.1
136.01682	100.0
137.02489	12.8
143.05078	4.4
146.03729	3.8
147.04588	4.2
149.02518	4.4
151.00426	4.9
151.04034	50.4
152.01132	6.8
158.03685	2.9
159.04543	4.8
160.05312	6.7
161.02480	4.0
161.06139	13.7
162.03264	6.6
163.04004	6.0
164.04784	3.9
166.02667	2.5
171.04469	4.1
172.05275	15.9
173.02472	3.8
173.06143	12.5
174.03275	4.8
175.03993	21.9
175.07648	4.6
176.04770	12.4
177.01949	4.1
177.05560	5.6
178.02808	2.5
187.04051	4.9
189.05644	19.6
190.06380	27.3
191.07121	12.3
236.64938	3.0
255.02963	2.9
259.06076	2.5
265.05157	3.3
277.05191	2.7
278.05923	2.6
279.06677	2.7
282.05356	3.8
285.04245	2.9
286.04819	3.5
309.07571	3.0
311.09351	3.3
356.87762	2.2
357.09778	7.6
370.98904	2.6
429.10367	2.3
445.13062	2.6
447.14502	2.4
461.12793	2.6
475.13647	3.5
477.15808	3.2
492.14371	3.8
493.15176	2.9
501.15860	2.9
501.42270	2.3
507.16724	26.1
508.16809	5.3
529.18811	3.1
547.19672	7.8
623.22974	5.2
635.22931	10.5
636.23340	4.6
651.22510	5.6
653.24023	42.4
654.24475	9.8
665.23828	27.3
666.24414	5.6
683.24963	73.7
684.25385	18.4
695.25171	14.0
696.25452	3.7
713.26117	98.5
714.26282	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13480	0.5
59.01377	0.5
69.16566	4.3
72.30306	0.6
74.73800	0.6
98.21724	0.5
121.90401	0.6
135.58099	0.5
203.78798	0.5
207.51187	0.5
677.50201	3.4
678.49866	1.2
713.47449	100.0
714.47711	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24680	0.9
59.01377	3.2
65.00335	5.3
69.23647	7.2
83.01401	2.7
87.43159	1.2
89.56274	0.9
93.03449	2.6
107.01411	9.5
117.03465	6.0
123.95277	0.9
125.02455	1.2
149.02443	1.6
150.03250	2.1
151.00394	28.7
152.00710	1.5
152.04892	1.1
156.12122	1.0
159.04546	1.1
165.01900	1.4
165.05656	1.4
192.00668	1.5
193.01427	4.1
195.04642	1.9
195.06541	1.9
199.53745	1.0
211.04042	3.1
235.04015	1.0
235.90228	0.9
237.01859	1.2
239.03506	14.5
240.03903	1.9
249.05554	1.2
253.05058	1.4
255.03094	1.6
257.04538	2.9
263.03461	2.9
265.01563	2.0
269.04654	3.4
277.05093	1.6
279.06598	2.1
280.30127	1.1
281.04572	6.5
283.02609	2.3
285.03958	1.1
291.06519	1.4
293.04108	1.2
301.05344	1.6
303.06558	1.5
305.04599	4.6
307.02512	3.5
308.02878	1.0
319.06104	2.3
323.05722	9.0
324.05936	1.4
329.04568	1.2
347.05630	8.9
348.06137	1.5
349.03613	3.8
361.03482	2.0
373.03491	2.1
390.03925	2.3
391.04605	75.4
392.04959	12.3
401.06662	5.8
415.04639	5.3
416.05045	1.3
417.02557	6.0
418.02768	1.2
433.05655	18.1
434.06177	3.2
459.03839	5.3
553.07782	37.2
554.08276	8.2
714.47955	4.8
715.13080	100.0
715.46979	5.5
716.13464	25.7
716.25574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50843	0.7
59.01377	3.0
64.40165	0.7
65.25867	0.7
71.01398	1.2
71.26123	1.3
84.06535	0.8
85.02962	1.0
89.02473	0.8
96.95990	0.7
104.27178	0.8
108.02232	0.8
109.61320	0.7
113.02455	0.9
117.01930	1.0
117.25281	0.7
128.03590	1.2
134.03769	3.9
137.02466	2.9
145.02989	2.0
146.03764	9.1
149.06102	4.3
150.03241	2.0
151.04037	9.7
157.15259	0.6
161.02385	1.1
161.06110	5.1
162.03244	25.0
163.03989	3.8
164.04822	5.6
165.05521	2.3
177.05644	6.2
178.02684	2.3
179.03560	13.9
179.07138	33.4
180.04300	68.1
180.07547	2.3
181.04625	3.6
191.05629	1.4
193.05081	9.8
194.05849	4.9
195.06642	100.0
196.07018	6.5
217.51488	0.7
234.05495	1.1
249.07678	2.4
256.38034	0.6
267.08844	1.6
343.11829	1.2
357.12033	1.7
360.15002	0.8
373.12891	2.1
389.12512	0.9
391.13998	31.3
392.14374	3.9
443.52536	0.8
525.19940	1.0
553.19366	17.5
554.19720	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	715.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	41.5
65.03975	11.8
69.03432	7.8
69.95763	6.9
70.23648	6.8
71.01389	22.0
71.28127	8.3
78.78843	6.9
83.01360	6.9
85.06587	41.9
89.03993	40.2
95.05030	18.5
97.02985	7.2
97.06578	13.0
106.04282	10.1
107.05061	8.2
115.07639	17.5
119.05053	11.0
125.06100	20.0
143.07137	100.0
144.07462	8.0
159.08171	27.8
161.62886	7.0
185.09784	30.1
215.10777	10.2
219.68240	8.3
277.21783	67.4
291.23447	42.7
319.22739	12.8
369.90909	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	716.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
61.98837	100.0
70.62034	0.3
71.01412	0.1
120.65907	0.1
161.25032	0.1
237.80003	0.1
256.23724	0.1
277.41541	0.1
398.14728	0.1
399.14154	0.2
400.15085	0.1
496.14127	0.1
717.23907	0.5
734.03601	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94118	0.1
58.02819	0.2
61.98838	100.0
62.98539	0.2
69.13339	1.3
110.73577	0.1
180.01878	0.1
209.00381	0.2
267.46396	0.2
404.68097	0.2
456.65274	0.2
464.55347	0.2
701.37933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
61.98826	0.5
63.02390	0.5
65.00335	0.7
71.01379	1.1
73.02934	0.4
80.72130	0.3
83.01410	0.8
85.02949	0.5
89.02441	0.6
93.03412	0.4
96.96009	0.3
97.28172	0.4
98.01736	0.3
98.22575	1.2
101.02444	0.8
107.01385	1.8
109.02956	0.8
112.98861	0.4
113.02410	0.5
121.02950	0.7
122.48421	0.3
128.31673	0.4
133.02975	4.7
149.02455	1.4
151.00386	4.4
161.04416	0.4
175.04018	2.2
177.01884	0.3
185.06009	0.5
191.05594	0.6
196.05545	0.4
199.02397	0.3
199.03981	2.0
201.01955	0.6
211.03929	0.4
212.04868	0.3
213.05658	0.4
217.05133	1.2
230.10645	0.4
239.03685	0.4
241.05017	0.8
243.03056	0.7
256.03857	0.6
257.04727	0.5
279.25146	0.3
284.03290	10.5
285.04068	100.0
286.04410	9.1
287.14890	0.5
327.04868	0.5
392.96024	0.3
447.09393	1.0
489.10474	8.1
490.10767	1.3
639.20551	0.7
657.21826	0.9
699.22784	4.1
700.23102	1.2
717.23975	19.8
718.24341	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	717.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56733	1.3
59.01384	100.0
60.01714	1.9
61.07116	1.2
61.98829	19.3
69.84197	2.7
69.84604	4.1
74.82648	1.2
87.17909	1.4
131.31328	1.4
292.06226	1.2
352.24255	1.5
457.19220	2.3
460.26334	1.6
467.13419	2.4
481.11902	3.2
495.16745	1.8
496.13916	14.4
497.14310	10.3
498.15112	2.5
510.15707	4.1
511.16223	10.1
512.16827	4.5
513.17957	3.4
528.13013	1.6
539.19098	1.8
544.16211	6.3
545.16730	1.7
567.18854	9.5
568.18628	3.4
571.18146	11.5
572.18689	4.5
583.17871	1.9
598.20490	2.6
599.21484	35.1
600.21667	13.0
602.16663	2.5
603.16565	1.6
625.18744	1.5
626.20172	1.7
631.20209	1.9
657.21930	15.1
658.22339	6.6
717.24170	72.4
718.24530	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	717.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
59.01389	34.4
59.11980	3.0
61.98830	9.6
69.43182	3.2
71.01387	16.1
71.26633	4.7
73.02946	5.9
75.00881	4.0
83.01396	9.7
85.02982	8.2
87.00856	3.3
89.02459	6.6
95.05054	3.2
96.96035	3.9
97.02956	4.3
101.02457	13.4
107.05054	3.1
110.00137	4.5
111.00917	6.1
113.02483	9.1
119.08675	5.8
123.04525	3.0
125.02469	10.3
135.04498	5.1
135.08192	3.4
137.09717	14.2
137.99637	4.4
139.00383	55.0
140.01166	7.2
149.02451	4.5
149.06084	3.0
150.03206	9.1
151.03996	3.7
152.01193	5.1
153.00716	5.3
153.01962	96.1
154.02737	62.0
155.03543	17.3
161.04617	6.1
161.09735	8.7
163.04051	3.4
163.06451	2.9
163.07675	16.9
165.01837	3.6
165.05608	8.8
167.03517	9.7
168.04308	40.3
169.05081	67.7
170.05501	3.9
179.05597	3.6
179.10814	4.1
181.08723	13.1
193.04916	3.5
197.11842	6.3
197.16797	3.1
223.09808	9.7
229.08777	5.7
231.10373	3.4
241.10994	3.4
255.06808	5.1
270.08813	4.2
271.09531	9.0
272.09753	3.6
302.11124	5.3
325.13235	3.9
331.10422	11.3
385.14804	3.9
405.62875	3.3
414.70474	3.6
435.68661	3.2
461.75970	3.2
477.17859	3.7
495.18558	3.6
507.20276	5.9
537.20276	4.8
555.20959	63.7
556.21228	10.6
699.26337	4.0
717.14044	6.3
717.26208	100.0
718.26880	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29951	1.4
57.03447	1.7
58.59993	1.5
59.01390	24.7
61.98816	2.5
66.31851	1.4
69.12397	7.1
69.12833	7.5
71.01398	8.3
73.02952	5.1
80.98313	1.6
83.01398	5.4
83.05045	2.2
85.02954	4.5
87.00870	2.2
89.02447	6.4
93.03487	2.3
95.40845	1.9
97.03021	1.7
101.02470	5.5
107.50973	1.5
109.02976	1.7
110.00169	2.5
113.02480	5.8
121.02966	11.6
122.03780	11.3
123.04531	3.0
124.01661	3.5
125.02534	3.0
132.02234	3.7
133.03020	8.8
134.03764	3.2
135.04536	3.7
135.08174	3.9
136.01706	3.8
137.02477	2.5
137.09731	8.0
137.99588	2.9
139.00389	17.4
140.01166	6.6
147.04544	12.3
148.05254	2.5
149.02477	24.9
149.06107	5.4
150.03247	72.9
151.03894	3.7
152.01152	3.6
153.01949	46.4
153.76016	1.8
154.02711	14.9
155.03455	9.2
158.03738	3.4
159.04543	7.3
160.05327	13.8
161.04700	3.1
161.06087	9.9
161.09726	3.9
162.03311	2.4
163.04002	5.1
163.06415	1.9
163.07620	9.6
164.04813	13.7
165.05595	62.8
166.05989	5.3
167.03491	8.3
167.07141	8.9
168.04279	20.6
169.05070	19.7
173.06099	5.7
175.07680	14.7
176.04781	5.5
177.05614	12.5
178.06326	2.6
179.10722	2.2
180.04364	4.0
181.08679	5.2
189.46408	1.6
191.05611	1.9
191.07280	2.5
193.08766	2.5
195.06641	19.9
197.11862	3.7
202.73528	1.7
210.99164	1.8
223.09853	5.5
241.10832	2.3
244.12439	1.7
270.08859	2.4
303.56012	1.7
315.12515	2.7
326.11520	2.1
329.13965	35.2
330.14380	5.3
331.10342	11.5
341.13809	2.7
371.14935	3.1
385.14923	4.6
432.15948	2.5
447.18216	10.4
459.18060	3.9
477.19244	100.0
478.19592	22.0
507.20126	11.8
508.20328	3.7
525.21320	58.6
526.21948	13.8
537.20129	2.8
555.21368	46.6
556.21826	10.2
609.22778	4.5
685.24829	2.6
717.26190	43.1
718.26605	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	717.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65082	0.5
55.01883	1.1
59.01377	2.4
69.14448	4.5
71.01396	3.3
72.99313	1.3
73.02956	4.6
75.00864	0.6
81.71442	0.5
87.00887	27.7
89.02460	0.9
89.03968	1.0
104.87962	0.6
117.01954	35.2
117.03462	4.6
119.04995	0.5
121.32550	0.6
134.03760	51.6
135.03008	2.9
135.04128	2.6
137.02431	1.1
149.06123	5.1
160.01707	1.6
163.04024	0.8
165.05565	0.6
167.03462	1.0
175.04086	1.4
178.02750	4.3
179.05591	0.8
191.05716	1.6
193.05074	100.0
194.05411	5.0
311.07745	26.2
312.08014	2.3
312.41269	0.7
535.19849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61763	1.1
57.03444	2.0
59.01383	100.0
60.01699	1.6
69.98418	1.1
71.01391	8.4
73.02959	9.3
75.00876	6.0
83.01395	11.4
85.02992	1.6
88.19348	1.2
89.02469	3.4
91.01175	1.1
92.36759	1.2
93.03482	1.2
98.22533	4.1
99.04518	3.7
101.02453	5.5
113.02446	3.5
117.01947	1.8
120.21749	1.1
121.02971	3.5
122.03749	11.1
123.04537	2.2
124.65544	1.1
135.03032	10.5
137.02420	1.8
152.04808	82.3
153.05396	3.5
154.02765	1.4
165.12816	1.5
167.07153	63.3
167.10809	2.6
168.07507	4.3
176.26506	1.2
177.04094	1.3
207.13913	2.2
209.11758	5.8
225.14969	7.4
227.12892	36.8
228.13348	1.6
233.11844	2.7
239.03455	1.6
245.00436	1.3
251.13000	1.9
269.14032	6.8
287.15039	8.6
330.66934	1.3
349.11206	1.2
391.04620	2.2
392.05075	2.8
393.05301	3.7
431.19128	3.0
554.07886	1.2
555.07861	1.9
581.26074	6.2
582.26343	1.9
599.27142	88.1
600.27478	17.9
681.38245	5.0
717.13702	11.9
717.29547	48.8
718.13403	2.4
718.30005	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	718.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.6
59.01387	40.0
61.86621	1.0
61.98836	1.5
69.03486	2.2
71.01393	33.5
72.99313	3.1
73.02940	4.7
73.70464	0.8
75.45975	0.8
77.02126	0.8
81.03480	1.3
83.01405	4.0
85.02969	7.1
86.28754	1.0
87.00887	7.8
89.02458	32.0
95.01395	1.9
97.02953	4.8
98.21788	1.9
99.00937	1.5
101.02457	27.6
111.04574	1.4
113.02460	12.7
118.47782	0.9
119.03516	9.2
123.00855	1.2
125.02460	11.9
131.03587	1.5
133.01331	0.8
139.04041	1.1
143.03543	5.1
161.04568	6.0
167.03481	1.0
179.05652	6.4
216.06851	0.9
217.07210	1.4
221.06807	2.5
235.08260	12.8
253.09331	3.0
277.21753	81.8
278.22083	9.3
287.07751	3.8
305.08893	4.0
323.09747	2.5
363.72086	1.0
379.12479	1.9
397.13565	100.0
398.13809	12.7
415.14630	37.3
416.15100	4.0
474.14795	1.0
521.13135	0.8
551.55365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90279	1.3
51.70397	1.2
55.01875	1.3
58.00614	1.4
59.01388	37.8
61.98839	1.3
63.10753	1.1
69.03459	2.6
71.01390	31.6
72.99305	3.4
73.02938	6.6
81.03482	2.1
83.01403	3.2
85.02955	7.1
87.00889	6.8
89.02452	31.6
95.01407	1.4
97.02974	4.6
99.00904	2.6
101.02457	26.8
102.03777	1.2
113.02471	13.9
119.03518	8.9
125.02487	10.2
131.03499	1.5
135.79335	1.4
143.03537	5.7
161.04593	7.0
179.05673	5.5
221.06728	2.4
235.08270	13.1
253.09262	3.8
277.21765	81.7
278.22137	13.4
287.07721	2.7
305.08752	4.1
323.10110	1.6
354.51447	1.6
379.12265	1.4
397.13544	100.0
398.13852	12.1
415.14639	35.5
416.14877	2.8
434.21454	1.3
541.39252	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	718.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
67.68639	2.8
71.26962	4.5
175.57768	2.7
179.62852	3.1
188.48039	3.1
205.78419	3.0
503.02557	2.9
685.18604	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	719.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22430	6.7
58.97274	7.9
66.49854	6.5
69.64101	36.8
75.47968	7.5
89.02464	13.4
98.22598	9.2
215.10371	18.5
262.16016	6.6
332.15088	6.4
341.10889	29.4
377.08524	100.0
406.26288	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	719.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98858	0.2
64.69673	0.1
65.39863	0.1
69.04578	0.6
69.04995	0.9
71.01382	1.3
73.02930	0.4
73.61993	0.1
81.03463	0.4
83.01444	0.2
85.02954	0.2
89.02464	0.9
96.96030	0.4
98.21716	0.3
99.04533	100.0
100.04861	3.5
101.02440	0.6
101.38698	0.1
113.02475	0.4
116.35490	0.1
119.03497	0.3
123.04529	0.3
125.02466	0.5
135.04611	0.3
143.03577	0.2
150.03227	0.4
165.05597	0.4
179.03529	0.2
179.05672	0.3
191.05540	0.2
217.08633	0.2
247.13499	0.2
261.09894	0.3
291.12418	0.3
294.87708	0.2
303.10883	4.2
303.14355	0.2
304.11359	0.3
335.57254	0.2
542.26306	0.2
555.96173	0.2
623.02740	0.1
671.27191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98858	0.2
64.69673	0.1
65.39863	0.1
69.04578	0.6
69.04995	0.9
71.01382	1.3
73.02930	0.4
73.61993	0.1
81.03463	0.4
83.01444	0.2
85.02954	0.2
89.02464	0.9
96.96030	0.4
98.21716	0.3
99.04533	100.0
100.04861	3.5
101.02440	0.6
101.38698	0.1
113.02475	0.4
116.35490	0.1
119.03497	0.3
123.04529	0.3
125.02466	0.5
135.04611	0.3
143.03577	0.2
150.03227	0.4
165.05597	0.4
179.03529	0.2
179.05672	0.3
191.05540	0.2
217.08633	0.2
247.13499	0.2
261.09894	0.3
291.12418	0.3
294.87708	0.2
303.10883	4.2
303.14355	0.2
304.11359	0.3
335.57254	0.2
542.26306	0.2
555.96173	0.2
623.02740	0.1
671.27191	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12199	1.8
55.01891	2.2
58.00614	3.1
59.01387	47.1
61.98841	7.4
71.01393	38.7
71.38236	1.8
72.99309	3.8
73.02951	7.2
83.01392	4.2
85.02955	9.3
87.00902	4.2
89.02456	30.0
93.03472	5.7
95.01404	4.3
96.95980	2.5
99.00908	2.6
99.04522	4.1
101.02458	22.5
102.02800	2.0
109.02975	4.2
111.00815	2.0
113.02460	14.5
119.03514	13.9
121.02955	15.8
122.03760	8.6
123.04534	4.8
133.02959	13.4
134.03773	13.6
135.04552	5.2
136.01688	2.6
137.02473	5.3
143.03529	3.0
145.02989	6.3
146.03809	4.3
147.04533	6.8
149.02477	19.7
149.04553	1.7
149.04971	2.1
149.06081	13.6
150.03239	55.2
161.02452	3.2
161.04602	5.0
161.06067	4.0
162.03259	11.9
163.03737	1.9
164.04784	4.9
165.05577	44.2
166.02727	2.1
166.05893	2.9
177.05629	9.0
179.05617	5.7
179.07150	8.2
180.04272	6.5
191.05623	2.1
193.05014	2.4
195.06602	10.7
233.53879	2.2
261.04361	2.1
341.14047	3.1
346.14349	5.3
347.14990	6.6
361.16611	28.8
362.16705	3.3
491.19794	2.6
509.21924	22.2
510.21786	3.6
521.21881	3.6
523.22052	27.4
524.22375	7.7
557.17004	2.1
577.22980	2.8
659.35645	3.4
671.27142	100.0
672.27429	24.5
681.37769	3.7
683.27228	3.2
719.29327	18.5
720.29248	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	719.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98814	1.3
71.01385	2.8
71.26327	1.3
83.82243	1.1
85.02982	1.7
89.02448	1.6
93.03473	3.9
99.04534	3.5
101.02451	1.4
108.02195	1.4
109.02961	4.7
119.03536	1.4
119.72786	0.9
121.02973	17.8
122.03766	12.2
123.04549	3.6
124.01680	1.5
129.03468	1.4
132.02199	3.5
133.02983	14.4
134.03767	11.6
135.04504	3.3
137.02452	2.8
145.02983	3.9
146.03731	4.6
147.04553	11.1
149.02458	23.4
149.06102	17.9
150.03239	57.2
151.03766	1.6
153.01929	1.1
154.02759	2.7
161.02515	2.1
161.04778	1.2
161.06105	3.2
162.03217	1.7
164.04822	8.0
165.05585	59.9
166.05914	4.1
175.07709	1.4
177.05542	1.2
179.03380	1.3
179.05655	1.9
179.07159	8.4
180.04315	2.5
191.05629	4.7
195.06685	12.5
196.07018	1.4
220.12178	1.1
283.09830	1.3
299.12939	1.1
313.14432	1.2
315.12256	2.5
327.12201	1.3
329.13940	3.0
346.14127	6.2
347.14929	11.5
361.16599	49.9
362.16949	7.7
415.17508	7.0
461.19669	1.3
509.21844	100.0
510.15387	1.0
510.22177	25.4
521.21954	6.8
539.22961	18.7
540.23291	3.8
557.23944	49.8
558.24408	10.8
607.68286	1.2
671.26819	1.9
683.03900	1.2
719.27295	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	719.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76018	0.9
58.73842	0.9
59.01373	3.9
61.98823	1.7
65.81236	0.9
71.01382	3.6
81.39498	1.0
85.02971	2.2
89.02456	2.9
93.03465	5.0
96.95965	1.3
98.22179	10.0
99.04529	16.2
101.02446	1.5
109.02978	3.6
121.02980	13.9
122.03768	16.1
123.04533	3.1
124.01661	1.2
127.33764	1.1
132.02180	1.5
133.02983	7.8
134.03729	4.7
135.04578	2.5
136.01674	2.3
137.02486	2.0
145.02954	4.7
146.03725	2.7
147.04507	6.5
148.05267	1.2
149.02463	22.6
149.06111	5.9
150.03249	82.2
151.03719	4.0
154.02715	1.7
161.06079	3.8
162.03174	1.6
163.03964	1.1
164.04851	5.7
165.05592	100.0
166.05911	8.5
177.05583	1.5
179.05772	1.7
179.07176	7.6
180.04309	5.6
181.05077	1.3
191.05569	1.7
195.06645	50.4
196.06946	3.1
199.31943	1.1
209.08128	1.1
229.34724	1.3
234.59442	1.3
266.04950	1.4
283.09900	1.3
284.03152	1.1
315.12497	1.4
329.14029	3.2
333.13583	1.1
336.68134	1.0
346.14233	6.0
347.14896	5.4
361.16589	56.6
362.16934	7.8
415.17679	6.2
467.17554	1.3
509.21848	58.8
510.22366	11.3
521.21729	7.7
523.21484	1.1
527.12109	1.7
539.22833	16.5
540.23163	3.7
557.23962	32.0
558.24304	8.5
709.40063	1.4
719.28302	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	719.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41597	0.5
53.09034	0.5
55.01881	1.0
57.03448	1.1
58.00581	0.9
59.01388	16.1
61.98825	1.1
69.02470	0.6
69.02866	5.2
71.01394	13.9
72.99303	1.2
73.02942	4.4
83.01386	2.5
85.02966	6.2
87.00888	1.8
89.02450	7.2
95.01394	1.5
96.95982	0.7
98.21738	1.3
99.00900	2.5
101.02457	10.0
111.00926	1.0
113.02454	4.8
117.01956	1.2
119.03525	3.7
121.02920	0.5
125.02455	0.8
139.00383	0.8
149.02412	1.0
150.03236	2.0
151.03609	0.7
154.02705	0.6
159.03050	0.6
161.02417	1.1
161.04553	1.2
165.05606	2.7
179.05576	0.8
181.59241	0.5
183.28780	0.5
191.05647	0.7
195.06615	2.1
205.57332	0.5
310.43399	0.6
343.11826	0.7
433.29593	0.8
443.28445	1.2
479.30215	2.4
495.07562	0.6
497.31271	33.6
498.31622	6.2
557.22565	1.0
605.33118	0.9
659.36530	100.0
660.36829	25.8
660.48199	1.1
671.27386	0.7
683.39301	0.7
744.18933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82890	0.5
55.01881	0.8
58.00607	1.1
59.01389	35.8
60.01719	0.6
67.82412	0.6
69.03462	1.5
71.01394	30.8
72.99314	2.2
73.02959	5.5
75.00883	1.2
81.03484	1.9
83.01412	3.1
85.02963	5.8
87.00890	7.3
89.02459	27.9
90.02708	0.7
91.04057	0.7
93.30689	0.6
95.01399	2.0
97.02953	5.8
99.00912	2.2
101.02459	26.0
113.02468	11.0
115.04026	0.7
119.03517	8.7
125.02462	11.6
127.03931	0.6
131.03520	0.7
133.05084	0.8
141.01967	0.6
143.03514	4.9
161.04601	5.7
167.03503	0.7
179.05659	5.1
217.07268	0.7
221.06653	2.1
228.65616	0.6
235.08258	11.1
245.06598	1.0
253.09312	3.0
263.07642	1.4
277.09039	1.1
279.23337	96.2
280.23685	13.7
287.07816	4.0
305.08820	3.6
323.09814	0.8
379.12344	1.0
394.12366	0.7
397.13556	100.0
398.13977	9.3
415.14621	35.1
415.22873	0.8
416.14957	3.7
677.37640	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	720.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
57.03453	1.5
58.00592	1.6
59.01385	28.2
59.67753	0.6
61.98843	0.8
63.24858	0.7
65.35446	0.8
67.85411	0.9
69.03454	1.7
71.01389	26.5
72.99304	1.5
73.02959	5.0
75.68748	0.9
81.03472	1.6
82.61147	0.8
83.01395	2.4
85.02966	5.0
87.00880	6.5
89.02453	26.8
90.27024	0.7
95.01392	2.1
97.02951	5.3
99.00877	2.3
101.02458	22.5
101.03130	1.3
113.02470	9.5
119.03512	8.7
125.02448	10.6
133.05119	0.7
143.03516	4.0
161.04568	5.9
179.05629	6.0
216.42345	0.8
221.06664	1.6
235.08238	12.7
253.09290	2.7
277.09378	0.8
279.23318	86.8
280.23611	9.2
287.07709	3.3
305.08868	2.8
317.93515	0.7
321.88000	0.7
323.09790	1.0
392.62894	0.8
397.13535	100.0
398.13934	7.4
415.14621	35.4
416.14795	3.0
443.80881	0.7
610.82233	0.7
657.21527	1.9
677.36719	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	720.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15565	0.3
58.83368	0.4
59.01381	0.6
61.99263	0.3
80.99964	0.3
81.03468	3.4
81.84970	0.3
83.05034	9.9
89.02398	0.4
90.73678	0.3
104.05334	0.4
125.07175	0.6
126.05641	0.5
191.05635	0.4
207.15070	0.8
224.17731	1.5
225.16090	9.2
226.16342	0.5
333.22903	0.4
341.29263	0.8
367.27173	1.1
433.31912	1.1
450.34641	0.7
451.32874	5.6
452.33444	0.8
550.43878	0.4
565.44904	0.4
569.45264	0.4
659.48767	0.9
677.49744	100.0
678.50055	31.3
718.56555	0.4
720.50330	0.5
721.50562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
59.01392	13.7
62.17111	1.9
67.05586	1.8
69.05571	14.6
71.01378	6.6
72.99316	7.0
73.02934	3.5
75.00868	7.2
81.74853	1.7
83.01393	9.0
87.00870	6.5
94.43072	1.7
99.00923	4.3
103.00375	4.0
111.00892	4.8
112.98827	49.3
113.02451	3.0
117.01961	2.8
127.00407	3.1
127.02106	2.9
145.01448	81.4
146.01787	3.6
154.99858	11.9
169.01483	5.6
169.03015	1.8
231.03165	2.8
263.05893	6.3
266.66116	1.7
271.75821	1.8
295.13696	2.4
337.07883	2.0
515.19525	17.2
516.20282	2.6
617.22803	6.6
618.23163	2.2
627.21204	3.1
643.20575	7.9
644.20636	2.6
671.20105	7.0
699.79846	2.8
703.22241	10.7
704.23541	2.4
721.23761	100.0
722.24060	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	721.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88915	1.0
54.77845	0.9
54.86800	1.0
55.01879	2.7
57.03428	1.1
59.01386	25.0
61.98815	2.5
67.01917	2.3
68.99817	3.6
69.54539	4.7
71.01388	11.3
72.99313	3.0
73.02944	5.2
75.00890	6.4
83.01426	5.9
84.99310	1.2
85.01030	3.5
85.02939	5.3
87.00884	15.7
89.02460	2.7
95.01431	1.0
98.21833	1.1
99.00888	6.5
99.04483	1.5
101.02458	6.0
103.00380	3.6
105.21499	1.0
105.22227	1.0
111.00908	5.9
112.98823	8.5
113.00576	2.5
113.02480	7.3
113.99617	8.1
115.00386	3.3
117.01958	1.2
124.95446	1.0
127.00407	3.6
127.02036	1.1
129.01959	2.7
135.03006	1.9
139.00375	1.4
145.01453	7.9
151.00288	1.1
154.99838	2.5
155.01546	1.1
157.01489	5.4
169.01454	2.7
171.01079	1.6
174.01709	10.7
175.02335	1.6
185.02554	1.2
202.25151	1.0
213.02141	2.4
227.12920	4.4
231.03244	1.5
245.04803	1.3
263.05948	3.3
277.05649	12.4
285.04089	1.8
295.13577	2.7
337.07794	100.0
338.08081	7.3
515.19397	4.8
617.22943	10.2
618.23602	1.5
645.22601	2.2
677.24567	2.6
721.23822	83.7
721.37219	3.3
722.24097	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	721.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.0
58.94931	1.0
59.01385	100.0
63.88263	1.2
66.40940	1.0
69.60205	4.9
69.91760	1.0
71.01390	25.2
73.02580	2.0
73.02959	18.8
75.00890	1.2
76.02392	1.0
83.01389	4.0
85.02957	4.7
89.02451	14.7
93.03445	1.2
95.01399	2.0
99.00829	1.1
101.02441	19.1
113.02466	10.7
118.24530	1.1
119.03540	7.8
119.05025	1.8
122.03760	1.3
131.03505	3.2
137.02451	2.1
143.03519	3.7
147.04532	1.3
149.04584	4.3
149.59500	1.1
161.04596	10.2
165.05588	2.3
166.05913	1.3
167.07127	6.5
179.05602	3.4
191.05548	2.3
221.06685	3.9
247.11844	2.7
263.07861	1.2
289.12997	2.0
374.09613	1.1
387.16602	3.2
397.18436	1.5
400.05313	1.1
432.04333	1.1
439.18399	1.9
471.70911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20310	1.9
59.01384	15.2
61.98830	17.5
68.87032	2.4
71.01383	10.9
85.02953	6.4
89.02467	7.2
91.19933	2.4
98.21774	4.3
101.02464	8.6
113.02438	7.3
113.10136	2.1
113.79370	2.0
121.02986	2.9
135.04539	2.2
143.03456	2.7
161.04591	2.2
179.03561	4.3
179.05641	3.5
209.04546	2.7
285.04041	2.8
530.25458	2.7
685.40442	8.8
721.35840	100.0
722.36157	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	723.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48154	1.6
59.01389	20.8
70.79359	2.9
71.01385	17.5
72.99315	1.5
73.02943	2.4
81.26379	1.4
82.12843	1.5
83.01394	3.5
85.02969	5.4
87.00887	4.9
89.02463	22.0
91.38509	1.7
93.03479	2.8
96.96018	4.3
98.22511	1.6
99.04564	2.9
101.02461	10.4
108.02190	2.6
113.02460	7.5
119.03532	11.3
122.03761	3.2
129.63792	1.8
134.03741	22.8
135.04462	2.2
143.03516	2.5
145.02901	2.3
146.03749	31.0
147.04491	6.6
149.06105	18.7
161.04767	2.6
161.06110	16.3
162.03241	4.5
163.04047	5.1
164.04832	18.3
165.05478	2.2
166.06345	2.6
167.05852	3.5
167.07164	47.4
168.07477	3.3
177.05577	2.7
177.29546	1.8
179.05623	26.4
179.07170	57.2
180.07495	3.6
191.05669	6.5
193.05136	3.9
222.02609	1.5
327.12213	3.5
329.12448	54.6
330.12750	4.7
383.13474	17.5
399.12766	2.0
477.17715	3.5
489.17752	5.0
507.18875	21.4
508.18890	4.3
523.17889	9.0
525.19800	100.0
526.20007	18.7
687.25024	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	723.303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01720	0.9
59.01382	2.9
61.98834	1.7
63.02397	1.2
65.00325	0.9
65.83472	0.9
70.53889	0.9
70.79216	1.9
79.29800	1.0
81.45152	0.9
88.14817	0.8
96.96030	1.3
107.01394	3.0
133.02972	3.0
149.02429	1.6
151.00372	4.4
175.04041	1.6
199.04092	2.0
218.43387	0.9
255.03072	2.9
256.03833	2.2
284.03296	38.8
285.04056	100.0
286.04431	7.0
290.83902	1.0
313.03506	1.4
626.24268	1.3
723.30267	54.2
724.30548	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	723.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.3
60.76725	2.8
61.98834	19.5
71.01402	22.9
71.26759	4.8
73.02935	4.8
73.09906	3.0
75.11342	2.7
75.19424	2.7
80.96494	3.2
82.89602	2.7
85.02944	10.6
85.15946	3.1
87.00856	4.1
89.02448	14.4
93.15237	3.0
96.96028	48.3
99.04550	4.3
99.57616	3.5
101.02465	14.6
111.27718	2.9
113.02448	11.0
113.37320	2.8
117.15331	3.1
119.03559	4.1
142.89154	3.6
143.03540	4.2
161.04587	6.6
165.05527	5.1
179.05566	9.2
191.05669	4.2
192.85982	2.9
415.92795	3.3
677.49951	15.4
723.32483	100.0
724.32471	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.4
61.98840	34.6
70.93693	5.0
71.01396	26.7
85.02963	14.6
86.61926	4.4
87.00892	5.2
89.02453	15.8
101.02457	21.4
113.02492	14.7
119.03538	8.5
128.05841	4.9
161.04716	5.5
179.05614	6.3
255.02983	8.3
271.76740	5.1
285.04041	8.4
337.07806	13.3
338.08267	7.2
391.30060	7.9
401.66486	5.4
471.30835	8.1
487.08478	6.5
519.32910	5.9
681.38599	100.0
682.39063	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97369	0.9
57.03449	1.2
59.01385	79.8
60.01702	1.9
64.88343	1.0
68.99837	2.8
71.01398	4.7
73.02962	2.6
74.86758	1.0
75.00871	4.5
75.60890	1.0
80.82317	0.8
83.01392	2.6
85.02962	5.6
87.00884	3.8
89.02441	2.1
93.00480	1.1
95.01398	1.2
97.06646	1.0
98.22611	2.1
99.00904	2.8
99.04555	2.9
101.02442	1.5
107.65583	1.0
111.00918	2.5
113.02481	4.3
113.99614	11.0
115.00379	4.7
115.16783	0.8
117.01936	0.9
127.00398	2.3
129.02003	1.1
135.03041	9.0
139.00409	2.3
156.00684	1.9
157.01486	3.2
165.12909	2.5
174.01698	1.6
175.02498	1.6
191.05576	1.2
207.13948	3.7
209.11839	10.5
222.54733	1.0
225.14899	7.8
227.12907	50.1
228.13274	3.6
248.23503	1.1
251.12979	2.4
269.13959	12.1
270.14444	1.9
273.40662	1.0
277.05728	9.3
285.04166	2.6
287.15051	33.3
288.15451	4.3
319.06702	14.9
320.07065	1.5
329.16238	1.3
337.07779	12.5
405.17722	27.9
406.18298	3.5
447.19031	1.5
454.42868	1.1
457.06140	1.0
471.98380	1.0
563.19958	1.3
607.22430	15.0
608.22913	3.1
707.23431	1.4
725.25153	100.0
726.25598	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	725.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
59.01389	93.9
66.62030	1.8
68.99834	5.3
70.28210	3.7
71.01384	6.1
72.69664	1.2
72.99328	2.3
73.02947	3.3
75.00876	17.5
78.54225	1.4
83.01411	3.3
85.02962	6.7
87.00888	7.3
89.02454	4.1
95.01426	2.3
97.02988	1.7
99.00925	3.7
99.04502	1.5
101.02457	2.7
111.00912	4.9
113.02463	9.1
113.99603	12.0
115.00398	5.2
117.01968	2.0
120.27151	1.4
123.28401	1.4
127.00361	1.8
129.01967	1.8
135.03006	30.8
139.00429	3.4
141.01965	1.9
156.00645	2.8
157.01401	3.8
165.12785	1.7
175.02594	2.0
191.05652	3.2
195.06493	1.5
207.13956	5.6
209.11867	11.2
225.15047	9.7
227.12939	61.0
228.13263	5.1
251.12950	2.4
269.14056	13.7
270.14200	1.7
277.05569	15.1
278.06238	2.1
287.15063	46.4
288.15372	3.5
310.67542	1.7
319.06757	24.3
320.07254	3.4
337.07864	14.9
405.17740	29.2
406.18256	4.4
423.47076	1.6
433.33740	1.8
447.18445	1.7
563.19934	2.7
589.21576	4.1
607.22540	33.4
608.22632	7.4
707.23755	3.7
708.24921	2.0
722.35345	1.6
725.25134	100.0
726.25562	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	725.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01384	56.4
60.01707	1.5
67.01897	1.6
68.48015	1.3
68.99861	1.7
69.03454	1.7
71.01401	8.9
71.28297	2.6
72.99288	2.5
73.02946	1.7
75.00876	5.0
83.01389	3.1
85.02963	11.9
87.00887	3.3
88.98823	1.7
89.02441	2.3
93.03462	1.3
95.01408	3.7
95.95065	1.2
99.00904	5.1
99.04552	2.3
101.02443	1.9
109.03030	1.5
111.00890	7.2
113.02475	11.4
113.99590	5.0
115.00391	2.9
125.02496	2.3
127.00386	2.0
128.01158	1.7
129.01971	3.1
134.03717	1.5
135.03032	9.0
135.04614	1.6
137.02350	1.5
139.00383	2.9
141.01990	1.4
153.01991	2.4
156.00659	27.1
157.01431	6.2
169.01442	1.3
191.05637	7.0
193.05106	1.7
202.56287	1.2
207.13863	1.9
208.14363	1.6
209.11798	7.4
209.47655	1.3
225.15013	6.3
227.12906	38.8
228.13251	3.1
251.12872	1.7
269.13965	8.4
277.05627	6.2
287.15015	37.0
288.15378	3.4
299.00412	1.4
319.06723	100.0
320.07040	9.7
337.07736	13.9
339.41516	1.3
405.17654	45.3
406.18036	6.6
515.14410	1.6
563.19849	2.2
607.22449	8.9
608.23010	1.8
725.25073	64.1
726.25525	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	725.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89746	0.6
55.01887	2.1
57.03443	1.6
58.00588	1.3
59.01388	28.2
60.68305	0.7
60.79415	0.6
61.98838	5.9
68.99828	4.0
69.03458	1.0
69.10497	1.2
69.10913	5.2
71.01394	20.5
72.59142	0.6
72.99316	2.2
73.02956	4.2
75.00871	1.9
83.01385	4.0
85.02963	12.9
85.06601	2.8
87.00880	4.4
89.02457	11.6
94.03855	0.7
95.01391	3.3
96.12112	0.7
96.96028	2.3
97.02952	0.8
97.06591	1.0
98.22554	1.2
99.00893	7.6
99.04520	1.0
100.66943	0.6
101.02458	14.1
105.76486	0.5
111.00918	2.4
111.04594	0.7
112.98832	1.0
113.02463	13.1
113.99602	11.0
115.00388	4.2
119.03525	5.0
127.00399	2.6
129.01994	1.6
135.03041	0.7
139.72137	0.6
143.03568	0.9
145.01425	1.6
154.99887	1.2
155.14430	7.5
157.01453	2.3
161.04582	0.8
169.01445	1.6
177.13620	0.7
179.05663	0.7
181.12411	1.2
181.16013	2.9
183.13954	0.8
191.05626	1.1
199.13420	16.5
200.13780	1.0
225.14949	3.8
277.05695	15.0
277.12372	0.7
285.04108	1.5
319.06906	1.2
327.21805	0.8
337.07947	6.7
357.39114	0.7
405.21344	25.1
406.21857	3.0
423.16266	0.7
473.14349	0.8
519.26074	0.9
541.15149	0.8
624.72412	0.7
647.54816	0.8
665.37817	2.8
666.37292	0.8
683.38409	1.3
725.28833	100.0
726.29144	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
55.54269	1.1
57.03451	5.2
58.00597	4.6
58.00921	0.9
59.01384	100.0
59.85940	0.9
60.01709	1.8
61.98834	11.3
67.01913	1.2
68.99843	1.3
69.03466	1.1
69.26257	1.0
71.01389	82.2
71.27000	1.1
72.01722	1.5
72.99310	5.5
73.02951	11.6
75.00881	1.7
79.37930	1.0
80.73681	1.2
83.01391	7.9
85.02964	23.8
86.97047	1.1
87.00877	6.4
89.02455	53.3
90.02800	1.3
91.04020	2.2
95.01404	7.4
97.02947	1.3
99.00906	4.1
99.04516	1.6
101.02454	46.4
102.02800	1.7
107.08673	2.8
107.10680	1.1
111.00893	2.2
112.01687	1.1
113.02461	30.9
119.03513	21.7
119.08646	1.7
125.02416	2.9
125.09738	1.5
127.11291	2.6
129.01961	1.3
131.03511	2.0
134.03751	1.1
134.87297	1.0
135.03073	3.0
143.03531	6.4
149.04575	2.1
151.04027	1.8
155.10762	1.3
159.02954	1.5
161.02457	1.1
161.04590	16.8
164.04988	1.1
171.10291	12.1
179.05621	9.0
190.02798	2.0
191.05589	2.7
199.09747	1.3
201.11348	31.0
202.11589	1.3
205.05107	2.2
223.06218	1.3
229.19540	1.5
232.69078	1.2
253.09294	41.0
253.42116	1.1
254.09709	2.2
257.21173	1.2
261.18427	1.7
273.18661	3.7
277.05576	1.1
291.19781	5.7
309.20724	17.9
310.21133	2.6
323.26001	1.2
327.21866	5.9
333.20804	3.9
351.22052	1.7
367.10324	2.9
381.25458	1.2
471.26022	32.4
472.26434	6.4
485.31311	1.7
486.32141	1.4
489.27097	67.2
490.27347	11.2
503.32208	7.8
521.33344	3.1
563.30353	1.8
665.37616	36.6
666.37866	7.8
683.38776	26.4
684.38739	7.8
725.26270	2.6
725.28595	1.7
725.38635	9.7
726.39374	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	725.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
55.54269	1.1
57.03451	5.2
58.00597	4.6
58.00921	0.9
59.01384	100.0
59.85940	0.9
60.01709	1.8
61.98834	11.3
67.01913	1.2
68.99843	1.3
69.03466	1.1
69.26257	1.0
71.01389	82.2
71.27000	1.1
72.01722	1.5
72.99310	5.5
73.02951	11.6
75.00881	1.7
79.37930	1.0
80.73681	1.2
83.01391	7.9
85.02964	23.8
86.97047	1.1
87.00877	6.4
89.02455	53.3
90.02800	1.3
91.04020	2.2
95.01404	7.4
97.02947	1.3
99.00906	4.1
99.04516	1.6
101.02454	46.4
102.02800	1.7
107.08673	2.8
107.10680	1.1
111.00893	2.2
112.01687	1.1
113.02461	30.9
119.03513	21.7
119.08646	1.7
125.02416	2.9
125.09738	1.5
127.11291	2.6
129.01961	1.3
131.03511	2.0
134.03751	1.1
134.87297	1.0
135.03073	3.0
143.03531	6.4
149.04575	2.1
151.04027	1.8
155.10762	1.3
159.02954	1.5
161.02457	1.1
161.04590	16.8
164.04988	1.1
171.10291	12.1
179.05621	9.0
190.02798	2.0
191.05589	2.7
199.09747	1.3
201.11348	31.0
202.11589	1.3
205.05107	2.2
223.06218	1.3
229.19540	1.5
232.69078	1.2
253.09294	41.0
253.42116	1.1
254.09709	2.2
257.21173	1.2
261.18427	1.7
273.18661	3.7
277.05576	1.1
291.19781	5.7
309.20724	17.9
310.21133	2.6
323.26001	1.2
327.21866	5.9
333.20804	3.9
351.22052	1.7
367.10324	2.9
381.25458	1.2
471.26022	32.4
472.26434	6.4
485.31311	1.7
486.32141	1.4
489.27097	67.2
490.27347	11.2
503.32208	7.8
521.33344	3.1
563.30353	1.8
665.37616	36.6
666.37866	7.8
683.38776	26.4
684.38739	7.8
725.26270	2.6
725.28595	1.7
725.38635	9.7
726.39374	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	727.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
57.03434	4.3
59.01095	2.2
59.01385	34.1
67.01876	1.8
68.99812	2.7
69.03458	8.7
69.17352	3.0
69.17754	11.1
69.23740	1.2
71.01390	21.5
72.99303	1.9
73.02958	13.7
81.03455	4.8
83.01385	5.2
83.05030	3.0
83.35560	1.5
85.02960	56.2
87.00887	100.0
88.01219	1.7
93.03468	5.1
95.01400	22.6
97.02960	28.9
98.22567	3.0
99.00882	3.6
99.04523	3.8
101.02456	3.3
103.04015	10.2
109.02969	9.3
111.00906	8.8
113.02454	16.9
115.00381	11.9
121.02921	1.5
125.02435	2.7
127.04020	16.2
129.01953	2.8
137.02461	3.8
139.00409	14.1
145.05060	6.2
147.77165	1.3
155.03474	2.6
157.01437	10.2
169.05057	3.6
171.02939	2.4
173.04588	3.0
175.02487	54.2
176.02811	2.3
199.02502	33.1
200.02937	2.1
217.03510	20.6
285.06259	2.1
303.07285	18.0
321.08383	7.1
345.08389	7.3
363.00211	1.7
380.33307	1.4
387.09354	15.6
388.09674	2.0
405.10324	7.1
563.12671	3.4
623.14673	7.5
667.18097	1.7
709.18256	14.3
710.18372	3.5
727.19702	15.5
728.19653	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	727.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90971	3.8
57.18729	3.3
59.01382	9.4
61.98820	5.2
65.22774	3.9
69.17135	31.2
71.01368	4.6
72.99329	3.8
75.00894	27.4
83.38860	3.5
83.78292	3.8
85.17144	3.3
87.00873	14.0
89.02446	5.6
96.95999	3.8
97.80941	3.8
99.00893	4.2
101.02464	6.5
105.82333	4.1
107.75749	3.6
116.92870	9.2
117.01957	11.7
117.03436	6.0
120.01241	8.1
121.02938	6.0
129.01941	9.5
134.03760	24.7
135.02983	5.0
135.04485	4.8
146.03751	6.2
147.04469	11.2
149.06091	6.8
158.03816	20.6
161.06123	4.4
164.04887	5.1
165.04088	100.0
165.05537	14.4
166.04408	4.6
176.04878	10.4
179.07141	5.4
191.05550	6.1
191.36720	4.8
193.05087	46.7
256.23697	3.8
268.07291	4.9
277.08698	4.0
279.06635	5.3
280.07419	31.8
281.08167	8.7
283.09760	16.7
291.06665	5.8
292.07370	7.0
294.09009	17.9
295.09811	39.3
296.10172	5.1
309.07663	17.8
310.08493	22.9
311.08084	6.9
313.07489	4.7
313.10837	91.2
314.11069	11.2
325.10855	87.0
326.11304	12.3
340.95459	4.5
343.11920	48.2
344.12329	8.6
359.11377	13.2
361.16580	7.6
475.16144	19.4
476.17383	4.6
487.16229	11.8
505.17453	83.0
506.17160	16.0
525.19611	4.9
579.16437	7.9
725.95502	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	727.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52084	1.0
59.01390	3.3
66.91838	1.2
71.01392	2.3
87.00885	1.1
89.02455	2.2
102.88187	1.1
121.02990	1.5
130.22536	1.0
135.04536	1.8
145.02979	3.5
146.03685	1.6
147.04501	2.4
156.71800	1.1
156.82248	1.1
163.12617	1.0
165.04341	1.1
165.05597	4.4
175.04070	1.1
179.03497	2.0
179.05719	1.5
185.46983	1.0
191.05640	3.8
193.05031	1.5
201.01662	1.0
221.05952	1.4
223.05978	1.8
254.09511	3.5
263.07370	1.6
265.08649	1.8
269.08530	1.1
275.07108	1.7
281.08304	3.2
282.09024	4.8
291.06613	2.7
292.07413	3.2
293.08224	4.8
294.09039	11.0
295.09628	3.1
309.07751	13.8
310.08469	26.7
311.08792	2.8
318.19577	1.2
325.10831	100.0
326.11209	13.7
361.16672	1.5
375.07083	4.6
487.16144	29.4
488.16559	5.0
625.10974	1.1
692.35681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23777	0.3
58.78293	0.3
59.01389	8.5
59.58604	0.4
60.98131	0.3
61.98837	0.5
69.26208	1.7
69.26613	0.7
71.01389	3.8
72.99312	0.8
73.02939	1.0
75.00864	0.4
85.02948	1.1
89.02478	2.2
95.01389	0.5
98.22591	0.6
99.00874	0.4
101.02446	3.1
106.58586	0.5
113.02445	1.5
119.03508	1.4
119.73535	0.4
135.02980	0.5
144.17734	0.4
161.04585	0.6
167.89098	0.3
179.05733	0.6
180.62845	0.4
192.09015	0.3
201.81958	0.4
317.21161	3.5
461.25461	7.5
462.25928	1.0
479.26520	16.3
480.26883	3.1
521.27600	100.0
522.27930	22.4
522.35883	1.0
667.38574	1.0
727.41028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
59.01394	26.0
61.98837	15.5
71.01389	13.1
73.02953	4.2
78.43595	1.2
83.01403	2.9
85.02948	11.7
87.00871	1.6
89.02465	5.9
95.01420	2.4
98.14153	1.2
99.00870	2.1
101.02449	11.6
105.18079	1.3
113.02454	10.0
119.03517	1.9
143.03545	2.1
156.71385	1.3
161.04601	1.8
161.06160	1.2
179.05670	2.4
181.90327	1.3
190.02745	2.7
205.05035	3.7
223.06078	1.7
263.07556	1.7
361.16846	2.5
367.10217	3.9
416.62299	1.5
445.29532	4.8
463.30688	5.9
464.30545	1.5
481.31854	16.0
482.32269	1.8
539.32690	6.0
549.21271	1.4
577.33905	1.8
581.33044	3.1
582.33344	1.5
596.90985	1.4
607.35022	10.9
608.35480	3.7
625.36005	100.0
626.36383	32.4
643.36890	20.1
644.37408	3.5
685.38336	16.6
686.38086	5.8
729.27075	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	729.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99208	0.6
59.01377	1.6
61.05046	0.5
61.98847	2.4
65.05765	0.6
69.13425	4.3
71.01390	1.6
82.70316	0.4
85.02971	3.4
87.00883	2.6
89.02448	1.5
93.03465	2.6
101.02483	0.9
111.04546	0.6
113.02504	0.7
117.03472	0.7
121.02967	0.6
127.03978	1.1
133.02957	4.3
134.03764	6.0
135.04549	28.4
136.04895	1.2
137.02472	1.3
139.04083	0.5
149.02448	1.6
149.86096	0.5
150.03214	3.3
153.62029	0.5
155.03539	0.5
157.05083	0.9
161.02466	16.6
162.02802	1.1
165.05540	3.5
173.04579	1.2
179.03519	25.5
180.03841	1.5
189.01697	5.0
191.05637	24.5
192.05942	1.3
194.58385	0.5
195.06627	2.1
201.01726	18.8
202.01968	0.9
334.42203	0.6
353.08737	1.2
357.13651	2.7
375.07010	100.0
376.07370	12.4
405.15698	1.0
567.13031	2.4
567.20770	3.1
729.16028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	1.5
59.01094	1.7
59.01385	32.0
61.98828	5.0
69.12108	7.8
69.13260	0.8
71.01391	26.5
72.76360	0.9
72.99297	1.6
73.02946	1.8
75.00887	1.7
76.12414	0.8
85.02963	6.5
87.00890	2.0
89.02453	28.5
92.38304	0.9
93.03465	3.1
93.05848	0.9
93.54228	0.9
95.01379	1.5
97.02872	1.0
101.02450	13.3
113.02458	10.3
119.03506	13.3
121.02966	10.5
122.03749	11.3
127.42699	0.9
131.03520	1.8
133.02956	0.9
134.03780	1.3
136.01730	1.2
137.02449	1.1
143.03497	3.2
149.02458	15.6
149.04408	1.6
150.03246	82.5
151.00410	0.9
151.03647	4.1
161.02487	1.4
161.04590	6.6
162.03247	2.5
164.04781	5.3
165.05586	100.0
166.02750	1.8
166.05919	6.1
177.05594	2.2
179.03503	2.1
179.05627	16.5
179.07115	1.0
180.04317	8.0
180.05856	1.3
181.05092	2.2
191.05521	1.5
191.07143	1.0
193.05093	1.3
194.05870	1.6
195.06642	86.2
196.06992	4.6
209.08235	8.3
221.06639	0.9
249.06154	4.1
342.11194	1.8
357.13464	10.6
358.13992	1.1
371.09866	8.8
405.15591	7.6
405.71219	0.9
406.16049	1.1
467.66821	0.9
519.18524	4.1
567.20929	40.5
568.21265	8.0
587.54645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.24659	0.9
57.03459	2.3
58.00595	2.5
59.01386	43.3
69.74641	2.1
69.75062	3.8
71.01391	38.4
73.02948	6.0
83.01424	2.0
85.02961	11.6
87.00893	2.5
89.02454	35.2
93.03477	4.2
95.01408	3.6
98.21868	1.2
99.00893	1.6
101.02447	20.6
111.51597	1.1
113.02473	15.5
119.03503	13.1
121.02976	5.4
122.03754	13.1
131.03500	2.8
133.02985	1.4
134.03784	1.9
138.03336	1.2
139.57103	1.1
143.03488	3.7
149.02464	35.3
150.03244	100.0
151.03625	4.5
159.02972	1.6
160.05188	1.4
161.04558	9.2
162.05022	1.2
163.04097	1.3
164.04814	13.0
165.05583	98.3
166.05896	5.9
177.05560	1.0
179.05641	20.9
179.07169	1.3
180.04329	7.6
180.05902	1.8
191.05591	1.4
193.05116	3.0
193.08682	3.0
194.05838	1.4
195.06650	60.9
196.06979	3.7
207.75378	1.0
208.03760	1.3
209.08202	6.1
227.12827	1.3
287.15146	2.4
313.10815	1.5
342.11020	7.5
343.10699	1.6
357.13461	71.8
358.13806	10.4
387.14886	1.2
391.49570	1.2
405.15543	15.5
406.15829	2.1
470.94809	1.3
519.18616	7.7
520.19250	1.7
567.20898	96.2
568.21265	21.7
714.88025	1.4
721.14313	1.1
726.35449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68729	1.1
57.03455	2.3
59.01384	100.0
60.01712	3.0
60.99345	1.1
63.09281	1.0
71.01391	16.5
71.28305	2.2
72.99319	1.2
73.02954	3.9
75.00896	6.2
81.35694	1.0
83.01403	4.8
85.02956	4.6
87.00886	2.0
89.02454	14.4
95.01394	1.7
99.04551	4.2
101.02470	7.9
113.02461	8.7
119.03542	3.8
125.02442	2.6
135.03014	13.2
161.04646	2.2
165.12926	2.6
179.05588	1.6
179.21568	1.2
189.44333	1.4
191.05630	1.9
194.82143	1.3
207.13936	5.9
209.11833	14.2
225.14995	11.5
226.15392	1.4
227.12912	65.8
228.13239	5.5
249.91966	1.3
251.12930	2.1
252.90053	1.3
268.67157	1.2
269.13971	16.8
270.14404	1.6
287.15033	75.1
288.15344	7.1
329.16089	2.7
343.14075	1.5
359.17413	1.8
386.05127	1.3
389.18311	2.6
405.17746	17.7
406.18414	2.6
431.19473	4.8
440.45190	1.4
477.19711	2.7
507.20917	2.4
531.20764	2.8
549.21899	9.3
550.22260	2.2
593.24475	4.7
611.25616	25.1
612.26135	4.2
711.27155	3.7
729.28302	58.1
730.28619	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	729.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34595	1.0
55.82914	1.0
57.03465	1.0
59.01384	100.0
60.01702	1.5
61.98835	18.1
69.40488	6.0
71.01391	15.0
72.99319	1.3
73.02951	14.4
74.03353	1.1
75.00872	9.0
76.81736	0.9
83.01396	15.7
85.02969	4.1
87.00897	3.3
88.98862	1.5
89.02457	5.2
89.27799	1.0
97.06616	2.1
99.00871	2.1
99.04543	2.3
101.02453	12.4
108.02200	3.4
109.03016	2.1
111.00906	2.4
113.02456	5.9
119.03510	1.8
123.04491	1.4
125.02473	2.2
129.02051	1.1
135.03009	16.1
135.04599	4.2
143.03557	1.1
145.01416	1.7
145.02960	1.5
146.03751	72.2
147.04303	3.7
149.06055	1.1
150.03235	1.7
152.01154	3.5
153.01935	1.9
154.99905	1.2
161.02460	1.4
161.04749	1.5
161.06088	24.6
162.06454	1.4
163.04074	3.8
164.04817	51.4
165.05455	6.3
167.03532	3.3
167.10799	4.9
177.05652	1.2
179.07152	89.1
180.07474	6.6
191.05655	3.0
203.05667	1.3
207.13982	2.8
209.11794	6.6
223.06161	3.4
225.14964	10.6
227.12914	41.4
228.13316	2.1
233.11867	3.1
251.12947	3.6
269.13928	10.4
270.14291	1.0
285.04077	2.8
287.15012	16.7
288.15170	1.5
293.38254	1.0
329.16064	2.2
337.07855	1.3
371.17230	2.4
413.18155	1.5
431.19061	8.9
541.19421	3.1
549.22278	2.2
593.26184	4.6
611.27118	93.6
612.27435	21.6
693.82617	1.1
729.29834	47.7
730.30206	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	729.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10786	0.7
57.03430	0.9
58.00598	1.5
59.01384	40.0
61.98824	1.5
70.19551	0.7
71.01389	26.5
71.27534	0.9
71.27922	1.2
72.99312	2.1
75.00884	1.3
79.57685	0.8
83.01385	1.6
85.02952	5.4
87.00885	2.3
89.02452	30.1
93.03461	1.1
95.01394	2.0
96.96025	1.5
97.02991	0.8
98.40021	0.7
101.02443	14.0
113.02448	11.3
117.01904	0.8
119.03532	11.3
119.05032	15.3
120.05399	1.6
121.02921	0.9
122.03735	1.7
131.03494	0.8
133.02957	2.1
134.03751	1.0
134.27350	0.8
135.03026	1.8
135.04578	2.3
149.02444	3.8
149.04561	1.1
150.03252	10.0
153.01880	1.3
161.02469	3.2
161.04610	1.5
163.04028	19.4
164.04608	2.6
165.01855	0.8
165.05583	7.8
179.03432	1.3
179.05632	3.3
191.05568	1.8
191.81905	0.9
193.05035	1.8
195.06685	4.9
209.08188	0.8
210.58607	0.7
223.06163	1.3
323.13489	100.0
324.13809	9.5
325.09192	2.7
357.13492	5.9
358.13818	1.1
405.15979	0.8
409.80258	0.7
567.21399	5.4
568.20630	1.8
603.59979	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45479	2.5
58.05860	2.6
59.01389	100.0
61.98828	6.5
69.00806	21.6
71.01388	18.6
73.02952	5.7
85.02948	7.0
87.00863	3.2
89.02443	6.1
101.02449	8.3
103.32443	3.2
108.29312	2.4
113.02454	7.5
115.18872	2.7
145.01642	2.9
161.04547	3.6
201.85930	2.7
285.06119	5.9
315.18188	9.8
327.21625	4.4
362.32809	3.8
381.89917	3.1
401.14337	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	730.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27324	0.1
59.01382	0.3
61.98837	100.0
62.98532	0.1
69.64028	0.5
71.01395	0.3
89.02464	0.2
96.96052	0.2
101.02509	0.2
113.02425	0.1
119.03564	0.1
119.05051	0.1
121.23137	0.1
134.79568	0.1
149.02486	0.1
150.03278	0.4
151.03632	0.1
163.04016	0.1
165.05592	0.5
166.62512	0.1
172.60187	0.1
179.03578	0.2
181.05246	0.1
188.33604	0.1
195.06621	0.1
195.52849	0.1
206.75798	0.1
214.47653	0.1
273.99734	0.1
281.07990	0.1
295.09891	0.1
297.10611	0.1
304.75626	0.1
310.08749	0.1
313.11078	0.1
315.11832	0.1
325.11124	0.2
326.11365	0.3
328.12137	0.1
346.13190	0.1
358.14072	0.3
404.53738	0.1
470.27774	0.1
506.17648	0.2
507.17371	0.1
508.18237	0.2
557.54712	0.1
568.21454	0.4
735.41052	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	1.9
98.22532	5.4
110.76670	1.6
114.47572	2.0
148.01375	1.5
167.64842	2.0
201.40004	1.9
229.16785	2.0
358.21158	2.1
512.13177	2.5
526.15131	3.9
527.16199	1.7
601.19623	6.1
613.18866	3.0
618.16028	2.1
687.23181	6.7
730.23730	100.0
731.24066	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.7
61.98822	13.4
62.42564	2.7
65.00323	4.3
66.64561	2.8
70.80196	6.8
71.01392	10.3
83.01414	4.9
85.02988	2.9
89.02470	4.2
98.21880	3.1
99.04544	3.2
101.02428	4.5
107.01428	7.8
109.02962	11.4
113.02494	4.0
121.02941	5.5
123.00892	5.6
125.02452	5.3
130.99980	2.9
133.02962	18.7
134.03720	3.3
138.03250	3.4
149.02478	8.4
150.03256	13.6
151.00406	28.1
160.01823	3.8
161.02484	4.3
163.04070	2.9
165.01894	3.2
165.05574	10.3
166.99901	6.6
175.04048	7.9
179.03513	3.6
179.05704	3.2
182.02248	13.0
191.05600	3.7
193.01465	4.8
195.06613	4.9
197.04564	16.0
206.32172	2.7
219.02940	3.5
223.06149	4.5
239.03543	12.5
248.36281	3.4
255.03073	3.8
263.03638	4.5
281.04575	10.1
283.02521	5.2
285.04047	7.3
305.04721	4.9
325.03754	4.2
337.09467	5.7
347.05600	8.3
349.03632	5.3
389.06854	3.4
391.04642	89.4
392.05017	12.0
415.04712	9.1
417.06326	17.6
433.05655	23.3
436.74530	3.2
459.03506	4.3
569.07288	88.8
569.19763	5.0
570.07428	15.3
731.12616	100.0
731.25073	3.9
732.12860	31.1
749.73370	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	731.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08038	1.1
59.01371	2.6
61.98831	3.6
64.09585	0.9
71.01386	2.0
89.02435	1.3
93.03455	4.2
113.02433	1.2
121.02950	4.5
122.03756	15.5
123.04546	2.0
124.01672	1.3
133.02959	2.8
134.03749	1.3
136.01599	1.1
137.02409	1.5
145.02974	1.3
146.03790	2.1
147.04523	2.2
149.02460	24.1
149.06039	1.9
150.03244	100.0
151.03998	6.3
158.03752	4.0
159.04506	1.8
160.01706	1.2
160.05234	1.3
161.06056	1.7
162.03232	1.3
164.04837	4.7
165.05586	94.5
166.05949	5.0
174.03281	1.0
175.04005	1.7
176.04747	1.7
177.05574	1.2
178.06351	2.6
180.04320	7.1
181.05061	2.9
188.04727	1.0
195.06644	44.6
195.51096	1.0
196.06973	2.4
197.59198	1.1
206.05838	3.0
207.06650	1.2
211.07623	1.0
223.07744	1.4
235.07906	1.4
236.04698	1.2
237.05508	1.2
239.07100	1.7
249.05589	3.3
251.07147	3.1
263.07040	1.2
265.05045	1.9
267.06613	3.7
268.03760	0.9
268.07428	1.5
274.95670	1.1
277.05142	3.3
278.05682	1.3
279.06827	1.9
281.08307	1.6
283.05933	1.7
293.08087	1.7
294.08926	1.5
295.06174	9.5
296.06741	2.7
297.07758	2.0
298.08649	1.5
307.09756	3.6
308.06931	2.3
309.07712	17.4
310.08478	17.9
311.08914	2.3
312.06323	4.0
313.07401	1.5
313.10818	4.4
323.09296	2.0
324.10046	6.9
325.07162	11.2
325.10834	24.1
326.07697	2.3
326.11331	2.6
327.08832	5.0
328.09561	3.1
340.09406	1.9
341.10193	2.8
342.11057	3.4
343.11865	45.9
344.12106	5.5
355.11896	35.6
355.16422	1.8
356.12335	4.6
365.97479	1.0
373.12912	19.5
374.13272	2.1
458.13815	1.0
461.15741	2.4
472.96152	1.1
473.16074	4.1
482.16360	1.1
491.17209	8.8
492.17560	1.6
521.18188	48.6
522.18597	6.8
535.17926	1.2
539.19183	2.5
551.19318	4.1
569.20313	87.2
570.20605	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	731.2584
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
59.01388	100.0
60.01708	2.2
68.39655	1.9
68.64476	1.8
82.45850	1.9
104.70237	1.8
216.98953	1.9
277.59055	2.0
285.04184	2.4
292.96054	2.2
496.13733	3.0
510.15323	4.3
553.17633	7.2
583.17896	2.1
585.19696	2.9
598.20898	7.7
630.20074	9.0
631.19916	2.3
671.23572	21.3
672.24152	7.7
731.25848	79.3
732.26111	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
58.00587	4.2
59.01385	100.0
61.98841	32.1
67.01903	2.3
69.24619	4.7
69.25018	11.7
71.01391	63.5
72.99313	6.9
73.02943	8.0
75.00833	3.1
83.01376	6.8
85.02967	15.4
87.00903	5.0
89.02456	55.9
95.01392	7.4
96.95996	2.9
97.03013	2.3
99.00878	2.4
101.02447	40.8
111.00839	2.5
112.61008	1.9
112.98779	2.4
113.01747	1.8
113.02459	41.2
113.55778	1.8
119.03525	26.2
124.91708	2.0
125.02451	3.5
131.03540	4.1
135.03020	1.9
143.03516	6.0
144.90735	2.0
145.01421	4.8
149.02567	2.2
149.04730	2.9
150.03227	6.3
152.16277	1.9
161.04605	9.7
161.79643	1.9
165.05551	4.3
179.05620	14.5
221.01009	1.9
284.03168	8.2
285.04077	33.3
286.04492	2.7
413.18198	2.0
417.06213	4.3
463.61621	2.0
465.28452	6.2
483.29492	3.0
489.10583	5.4
495.23151	2.1
569.07318	7.0
627.33759	30.0
628.34125	9.3
645.35022	42.5
646.35089	8.7
687.35883	5.8
688.35852	3.3
713.24207	4.7
731.34558	4.4
732.24207	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	732.403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
61.98836	100.0
69.07332	0.3
69.07733	1.2
71.01389	0.5
77.69545	0.2
85.02959	0.3
87.80391	0.2
113.02439	0.3
148.48941	0.2
177.47928	0.2
249.79143	0.2
285.04263	0.3
293.66364	0.2
361.52786	0.2
610.25171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54084	2.5
57.03469	3.3
58.12888	2.2
59.01382	31.7
61.98834	15.4
68.97446	25.4
68.99807	2.7
71.01379	16.5
72.99308	4.2
73.02950	3.8
75.00874	10.2
80.43899	2.4
83.01385	7.3
83.05035	3.0
85.02974	3.9
87.00906	3.1
89.02448	8.1
96.96044	2.9
98.21821	6.2
99.00900	4.7
101.02458	9.8
103.00372	4.8
111.00854	4.0
112.98812	14.6
113.02477	11.3
119.03542	3.0
123.15640	2.5
136.01657	3.2
145.01457	8.7
154.99886	3.0
161.04575	3.4
171.01044	3.1
191.05734	4.4
245.04619	3.0
267.12442	2.9
285.04056	8.8
625.70129	2.9
629.34839	4.0
733.23737	100.0
734.23938	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	44.8
69.12550	94.3
96.99994	14.3
98.22547	32.5
192.30019	14.6
218.19621	14.7
290.26797	14.9
377.47070	16.3
395.75403	14.2
460.93839	17.0
476.05682	15.8
547.63074	14.7
555.19165	19.2
587.21234	32.8
641.22876	100.0
642.22717	31.8
673.25275	40.9
725.84479	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	733.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03454	1.4
58.09901	0.4
59.01385	100.0
60.01714	1.6
67.01904	0.6
69.03056	3.7
69.03455	0.7
71.01389	9.9
73.02957	3.8
83.01413	1.6
85.02967	5.0
87.00909	1.2
89.02483	1.4
93.03478	3.6
95.01405	0.8
97.02976	0.5
99.00883	2.1
101.02456	9.4
113.02460	4.1
119.03568	0.5
119.05091	0.7
123.04539	0.6
129.02065	0.5
143.03560	0.8
147.08307	0.5
150.03259	1.0
151.11331	0.7
159.03006	1.3
161.04591	6.6
161.09747	0.6
163.04034	1.0
165.05630	1.0
167.05048	0.5
173.04611	1.3
179.05713	0.4
179.07283	0.4
179.10799	11.3
180.11223	0.8
185.71515	0.4
191.05640	5.9
193.05092	1.2
205.12358	6.4
223.13551	1.2
227.13196	0.4
261.13446	20.5
262.13757	2.3
271.86514	0.4
303.14520	11.0
303.17853	0.6
304.14883	0.8
341.16193	0.6
505.18155	0.5
535.33344	0.5
652.30402	0.5
695.32990	0.5
733.27386	3.6
734.27869	1.3
760.31262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
58.05281	0.6
59.01385	4.2
69.21477	3.4
71.01373	1.9
72.99310	1.8
75.00882	23.8
87.00889	1.3
88.01873	0.5
89.02460	5.4
96.96013	0.8
97.90118	0.5
101.02439	0.8
117.01994	2.7
117.03451	0.7
119.05042	22.7
120.05373	1.4
135.03014	100.0
136.03357	2.9
145.03004	1.8
163.04027	60.9
164.04338	4.0
165.05534	0.8
176.37395	0.5
191.05640	1.1
223.06123	0.8
242.66237	0.5
281.06683	19.9
281.11465	1.1
282.07086	1.7
293.12573	0.6
323.13422	1.1
630.46527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
59.01387	13.6
68.99825	1.5
71.01392	3.9
72.99312	3.0
73.02956	1.6
75.00877	6.4
75.02596	0.8
83.01400	4.8
84.99307	1.1
85.01048	0.9
85.02946	1.3
87.00886	0.9
87.51350	0.7
89.02451	1.2
99.00863	3.7
99.04570	0.8
100.98834	0.9
101.02411	1.0
103.00389	3.5
111.00879	2.7
112.98820	15.0
113.02438	2.1
113.99144	0.9
114.93962	0.8
115.02115	0.8
117.01952	1.9
124.98825	0.8
127.00375	2.5
127.02140	1.2
143.01546	1.0
145.01440	16.2
146.01924	0.8
154.99872	3.0
169.01505	1.9
171.01057	1.7
171.13028	0.7
173.25989	0.7
187.02553	1.2
192.56752	0.9
227.12932	2.6
229.25932	1.1
229.98604	0.8
233.12440	0.8
245.04701	1.8
249.96066	0.8
251.14801	1.0
263.05756	1.7
295.13641	3.5
317.03217	1.0
483.16971	0.9
515.19836	1.5
519.47705	0.7
672.37799	0.9
684.81787	1.1
735.25378	100.0
736.25677	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	735.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.5
57.03445	1.5
59.01384	29.6
61.98836	35.2
63.99266	3.3
68.99825	2.1
71.01386	15.3
71.27096	2.6
72.99313	5.4
73.02947	4.4
75.00883	15.9
83.01419	7.0
83.45936	1.3
84.21280	1.4
85.02967	6.2
87.00894	3.4
88.98839	2.2
89.02451	7.3
89.82841	1.3
93.03481	1.4
95.01406	2.6
96.96024	1.7
97.84061	1.2
99.00918	4.3
101.02476	9.2
103.00392	7.3
111.00915	3.5
112.98818	13.9
113.02432	7.3
119.03546	1.5
125.02435	2.4
127.00389	2.4
127.02189	1.4
129.01947	2.1
130.63339	1.4
131.03545	3.3
135.03011	2.0
143.01602	1.5
143.03481	1.9
145.01401	10.4
151.00414	2.0
154.99876	4.3
161.04616	2.7
169.01428	2.1
171.01027	2.1
176.01222	1.9
179.03511	1.4
179.05659	1.9
187.02487	1.7
191.05634	1.8
193.98013	1.7
197.93951	1.4
199.73004	1.4
201.05722	1.3
227.12894	2.2
245.04848	1.6
263.05881	3.9
285.04160	5.0
361.16580	2.5
361.96375	1.6
394.03970	1.6
478.77628	1.9
515.19482	2.8
618.35059	5.5
691.37885	2.0
703.22925	7.5
703.33972	1.7
705.30701	1.9
735.25391	100.0
736.25629	29.7
736.37897	4.0
746.43542	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	736.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34616	8.3
59.01383	17.2
61.98820	20.2
74.82281	7.5
92.30060	10.1
94.19421	8.7
98.21800	18.4
99.90482	8.0
110.01237	7.9
120.04523	8.2
122.06127	51.6
152.07196	61.7
177.27917	9.0
199.04538	8.3
213.10248	7.9
239.11955	10.2
245.12920	12.0
278.06973	13.1
278.10236	10.7
279.07877	10.3
285.12479	30.9
293.09335	24.0
295.10928	20.3
337.08084	10.0
358.15695	17.4
504.17642	19.4
518.18933	12.3
550.22540	13.9
565.24646	39.7
597.28180	10.9
609.23773	33.9
610.23901	9.5
641.26147	100.0
642.26001	14.7
673.28387	58.1
674.29175	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	736.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34690	0.9
55.01880	3.0
57.03453	1.9
58.00594	2.0
59.01385	84.4
59.94778	0.8
60.01698	1.5
61.98823	1.5
71.01388	31.8
71.27821	1.2
72.99322	2.8
73.02932	5.6
75.00879	7.3
83.01401	5.2
85.02962	10.2
87.00896	3.5
89.02451	21.8
95.01415	2.6
96.08191	0.9
99.00893	3.0
101.02449	23.8
112.98816	2.3
113.02466	13.8
117.01955	1.0
119.03518	8.4
129.01932	0.9
131.03506	1.2
135.03027	8.2
137.02394	0.9
139.20711	0.9
143.03537	1.2
145.01443	2.0
159.03056	1.2
161.04620	1.6
165.05531	0.8
165.12872	1.6
177.04073	1.1
179.05714	1.0
183.13921	13.1
184.83850	0.9
185.11867	4.3
191.05640	2.7
208.13463	1.9
210.15048	1.7
217.29912	0.9
226.18170	3.1
227.12978	1.0
228.16052	10.7
287.14685	1.1
295.13580	1.4
321.72229	0.9
337.08130	1.0
339.09036	1.3
340.19470	0.9
390.21094	1.2
413.12482	2.7
413.21643	1.6
450.23611	1.1
483.16827	2.8
514.20068	1.3
515.19385	5.0
516.96332	1.0
600.33771	2.4
618.35010	100.0
619.35339	21.6
677.48895	1.1
701.21063	1.4
736.27478	1.8
736.37628	52.4
737.24231	2.4
737.37946	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	737.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.1
59.01386	11.1
62.50672	1.4
63.02409	10.6
63.03484	1.4
71.01391	14.2
72.99308	7.6
73.02935	2.3
75.00881	32.6
77.17744	1.4
83.05008	1.8
85.02953	16.5
85.06569	9.9
87.00895	2.7
89.02442	6.9
93.03488	2.1
95.05061	3.9
96.81448	1.4
97.06621	1.5
98.21690	2.3
99.00906	3.5
101.02459	4.9
103.62846	1.5
107.05080	1.7
109.03051	1.5
112.02132	1.5
113.02473	1.7
115.07658	6.3
119.03506	2.7
125.06086	5.9
129.01965	5.4
133.02983	1.9
134.02734	3.3
134.03760	69.5
135.04068	3.9
137.02475	8.5
143.07170	18.4
145.01482	4.4
147.03029	23.5
149.06088	16.6
150.03227	2.1
159.04419	2.2
159.08174	3.2
161.02425	1.8
161.04662	2.2
161.06160	2.9
165.04095	17.6
167.59001	1.4
172.43524	1.6
175.04016	4.9
178.02742	34.9
182.03741	16.2
189.09219	6.6
191.05678	4.3
193.05083	100.0
194.05380	5.3
197.06084	17.7
209.06104	3.5
223.07718	4.8
224.08377	8.4
239.10788	8.7
283.09729	14.3
285.04117	3.0
305.12195	1.5
323.07947	2.1
323.12897	2.3
337.08047	1.9
341.08841	13.1
353.82455	1.6
365.17694	4.3
366.18152	1.7
409.16504	2.0
447.09583	4.2
589.23059	6.5
591.24066	2.1
737.26685	82.0
738.27026	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	737.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03450	2.0
58.00603	2.3
59.01385	100.0
60.01718	1.1
61.98845	1.2
69.57376	2.7
71.01390	48.7
72.01727	1.1
72.99317	3.6
73.02958	6.4
75.00895	1.4
83.01390	3.4
85.02958	16.4
87.00879	3.6
89.02455	31.9
90.02827	0.7
95.01402	6.7
97.03005	1.4
98.22505	0.8
99.00906	1.5
99.82150	0.6
101.02456	25.7
111.00902	0.9
113.02463	29.9
114.02809	1.2
114.98720	0.7
119.03517	12.9
124.01653	1.6
125.02506	2.5
129.02045	0.7
131.03543	1.5
143.03532	6.0
153.39503	0.8
156.55684	0.7
159.03180	0.6
161.04591	9.7
168.91475	0.7
179.05623	5.5
200.42387	0.9
219.10329	0.6
229.19533	0.7
285.04211	1.8
471.33398	3.9
489.34695	2.1
513.34558	0.8
575.34436	2.5
597.36816	1.4
633.38593	58.1
634.39001	14.4
634.48883	1.0
651.39667	46.1
652.39984	11.1
664.52521	0.9
693.40839	12.9
694.41376	2.4
743.36267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32454	2.6
54.74557	2.8
54.98407	2.7
55.01865	3.9
58.00589	3.5
59.01385	100.0
61.98826	9.5
69.13326	22.4
69.66165	2.5
71.01390	56.0
72.99284	2.8
73.02951	14.1
75.00880	4.1
75.39941	2.4
78.95937	3.1
79.58828	2.5
82.95449	4.9
83.01403	9.1
85.02963	26.2
87.00875	5.6
89.02451	27.5
95.01410	6.0
96.96005	2.8
98.22601	3.5
99.00895	2.9
101.02455	31.0
106.50619	2.6
113.02460	26.9
119.03499	9.4
121.94881	2.6
125.02450	3.8
135.03009	4.1
143.03516	2.8
161.04564	8.0
179.05482	2.7
198.91678	2.4
471.33334	6.3
489.34546	5.6
633.38562	78.5
634.38959	22.5
651.39703	60.8
652.39722	12.9
693.40192	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	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86965	0.3
59.01386	15.9
60.27257	0.3
61.36693	0.3
62.39725	0.3
64.63068	0.3
67.26577	0.3
68.72691	0.3
71.01369	0.3
81.03461	4.8
83.05036	15.8
100.07688	0.3
108.04565	0.5
125.07236	0.8
126.05636	0.3
129.34494	0.3
143.08293	0.3
169.50124	0.4
192.08789	0.3
207.15100	1.3
224.17717	2.2
225.16109	13.1
225.18332	0.7
226.16495	1.1
242.18884	0.5
309.21841	0.7
324.26578	0.5
333.23175	0.9
341.29269	1.0
367.27231	1.2
385.28433	0.5
433.31924	1.3
450.34576	1.4
451.32916	7.3
452.33203	1.1
465.70602	0.3
550.43494	1.0
559.39569	0.5
565.44141	0.4
593.43701	0.7
659.48187	1.4
660.48822	0.5
677.49750	100.0
678.50049	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
61.98837	100.0
62.98545	0.2
62.99265	0.1
70.84438	0.1
70.88938	0.1
70.89265	0.1
79.68625	0.1
275.76022	0.1
293.55389	0.1
313.84760	0.1
333.09308	0.1
395.81369	0.1
399.14334	0.1
400.14499	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64711	0.2
58.92371	0.2
61.98838	100.0
73.59107	0.1
77.11432	0.1
78.95950	0.2
81.27226	0.2
88.83807	0.2
91.50078	0.2
93.74419	0.2
98.21748	0.5
119.50700	0.2
138.49104	0.2
146.66394	0.1
278.22363	0.2
279.23303	0.2
365.11356	0.2
536.71265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5085
Annotation	UNII-43VIE2HQJQ
Peak:m/z	Relative Intensity
63.72590	5.8
69.50138	9.2
69.50547	28.3
74.37724	5.4
78.95908	11.6
152.99588	8.8
153.50150	4.9
214.91487	6.0
219.93637	5.9
225.16458	5.4
279.23312	100.0
280.23703	8.1
330.85327	6.2
333.19415	6.5
621.76556	7.0
738.51111	17.2
739.50726	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	739.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16504	0.5
54.23472	0.6
59.01384	3.3
60.90696	0.6
61.98822	2.7
63.02391	2.6
64.24119	0.5
65.00325	1.7
71.01399	2.9
72.19315	0.6
74.04386	0.6
75.00920	0.6
80.83616	0.6
83.01384	1.3
83.40747	0.6
85.02959	1.5
87.00861	0.7
89.02448	1.3
93.03458	0.7
96.95917	0.5
99.06608	0.6
101.02419	1.1
107.01423	3.8
109.69357	0.7
113.02467	1.5
117.03493	3.7
119.03493	1.0
120.67012	0.6
121.02959	1.3
132.83014	0.7
133.02933	3.7
134.03766	1.7
149.02438	2.5
149.05960	0.7
151.00420	3.5
151.01419	0.6
159.03267	0.7
159.04541	2.2
161.02487	1.3
165.05591	1.0
171.04507	0.8
176.01187	1.0
176.72307	0.7
177.01981	0.8
177.44316	0.5
178.02708	0.8
183.04486	1.2
191.03520	1.3
191.05603	1.3
193.05048	1.9
196.05330	0.9
197.06122	0.8
199.03999	1.9
199.07642	1.2
200.04471	0.6
201.05566	0.8
202.78706	0.6
217.05035	1.0
225.05600	2.1
227.03407	1.4
241.05080	1.0
256.03845	1.0
268.03784	5.0
269.04565	100.0
270.04907	11.4
284.03287	30.3
285.04050	58.5
286.04468	6.8
517.14288	0.8
577.15417	1.2
591.25092	0.8
739.20892	78.9
740.21204	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	739.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.5
61.98820	1.3
62.96074	0.7
63.02394	1.1
65.00319	1.1
66.71905	0.6
69.96085	2.8
71.01389	6.2
72.99282	0.8
73.02942	1.4
75.00863	0.9
83.01397	0.8
85.02939	2.3
87.00873	1.0
89.02448	4.9
93.03459	0.9
95.01384	0.8
98.22176	1.5
99.04519	0.9
101.02449	2.7
107.01372	1.8
113.02464	1.4
117.03442	3.9
119.03487	1.5
121.02938	0.8
131.03560	0.7
134.03754	1.2
136.01669	2.6
149.02452	1.5
151.04012	1.7
159.04526	1.2
161.02444	1.0
161.04568	1.9
169.06697	0.8
179.05592	2.6
193.05017	0.9
196.05278	1.3
205.61446	0.7
221.06683	1.0
223.06146	0.6
225.05574	1.0
239.03604	0.7
268.03735	10.2
269.04568	100.0
270.04922	11.5
275.53220	0.7
384.86118	0.7
431.09955	1.0
577.15820	1.3
739.20941	30.7
739.33679	2.1
740.21130	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	739.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57536	0.6
55.01896	0.7
56.92000	0.6
58.00607	1.1
59.01386	100.0
60.01720	1.3
69.03474	1.5
69.18113	5.7
71.01389	32.1
72.99328	2.0
73.02955	41.4
74.03285	1.0
75.00874	1.3
83.01399	10.3
85.02966	5.8
87.00887	1.1
89.02455	12.1
95.01389	1.3
98.22474	1.4
99.00921	1.7
101.02455	42.1
102.02804	0.9
113.02461	14.7
113.99548	0.7
119.03520	5.8
125.02499	2.4
131.03502	4.5
135.02995	0.9
143.03535	4.5
149.04584	7.4
154.99998	0.7
155.03566	1.2
161.04590	13.5
179.05626	1.5
191.05681	0.9
203.05698	2.1
221.06770	3.2
227.12976	1.4
269.04568	2.2
372.26886	0.7
510.21591	0.7
549.77704	0.7
559.27148	1.0
739.34894	2.0
747.82758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40752	0.3
55.01875	1.0
57.03448	1.1
58.00591	0.3
59.01387	31.2
60.01730	0.4
60.99293	0.3
68.99818	0.3
71.01389	13.3
72.01744	0.5
72.99312	1.0
73.02959	5.9
75.00871	2.1
77.93505	0.3
83.01396	3.4
85.02480	0.6
85.02962	8.8
86.00116	0.7
87.00889	1.0
89.02457	1.6
93.03444	0.4
95.01405	1.2
97.02988	0.6
98.21748	1.1
98.22459	2.0
99.00904	1.9
101.02458	11.7
111.00890	0.4
113.02468	6.6
113.03260	0.3
117.03516	0.3
119.03567	0.5
125.02484	0.4
129.01924	0.5
134.03789	2.3
143.03523	0.6
145.01422	0.4
147.03044	1.0
149.06084	0.8
153.00159	0.3
159.03027	0.8
161.04529	1.6
164.02496	0.3
165.04063	0.8
171.04329	0.3
178.02756	1.2
184.97330	0.4
193.05112	3.8
194.05464	0.6
207.59593	0.3
225.41148	0.3
269.04584	4.8
325.14557	0.4
395.29443	0.4
407.29691	2.2
411.18356	0.3
423.29230	0.7
425.30734	0.7
473.32806	2.1
591.24475	0.9
617.37042	0.6
679.37054	0.5
697.38177	2.2
698.37891	0.8
739.29510	4.6
739.39215	100.0
740.29083	1.1
740.39539	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23077	0.7
58.79303	0.6
59.01373	1.1
61.98838	94.6
69.45592	4.1
71.01418	1.7
98.22460	1.3
99.04533	100.0
100.04881	4.1
113.02478	1.0
125.02517	0.8
125.25159	0.7
161.04553	1.8
183.23863	0.6
189.03958	0.7
261.09811	30.0
262.09985	1.5
418.45724	0.7
472.71555	0.8
572.56189	0.7
639.31323	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46224	0.1
61.98839	100.0
62.98551	0.2
68.44337	0.1
70.83213	0.2
71.01396	0.1
73.65373	0.1
75.43996	0.1
92.44056	0.1
94.24418	0.1
133.59850	0.1
208.71129	0.1
214.14133	0.1
280.23792	0.1
295.51962	0.1
368.57870	0.1
399.14124	0.1
400.14380	0.1
483.44626	0.1
570.90009	0.1
637.75513	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.2
61.79850	0.1
61.98836	100.0
62.98553	0.3
63.70446	0.1
69.13580	0.2
69.13931	1.2
82.19962	0.1
84.73035	0.1
85.99869	0.1
89.02422	0.1
117.00840	0.2
126.55518	0.1
143.73402	0.1
187.35796	0.2
188.41959	0.1
279.23492	0.3
280.23758	0.3
291.86728	0.1
399.13870	0.3
469.74280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59050	0.1
54.00823	0.1
56.34715	0.1
59.01388	0.5
61.98837	100.0
62.98550	0.2
69.17299	0.8
75.65585	0.1
83.05042	0.2
200.03430	0.1
270.68585	0.1
678.50464	0.2
680.50677	1.5
681.51526	0.2
690.14752	0.1
740.49622	1.0
741.36603	0.1
741.49628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16337	0.5
57.03453	0.6
59.01384	5.9
63.02404	0.9
65.00336	0.6
71.01392	4.3
71.27592	0.6
73.02950	0.7
75.00870	1.1
76.01155	0.5
77.35710	0.5
83.01404	1.5
85.02966	2.3
85.84854	0.5
87.00885	0.8
89.02451	2.7
99.00948	0.5
99.50990	0.5
101.02453	3.0
103.04047	0.6
107.01380	0.9
113.02480	1.1
116.58918	0.5
119.03510	1.2
119.05040	1.6
122.14186	0.5
125.02470	0.5
126.37968	0.5
129.01964	12.8
130.02249	0.6
133.02991	1.9
134.03731	1.4
135.03003	2.1
147.03021	17.0
149.02422	1.0
151.00374	3.3
154.99826	1.2
161.04555	1.2
163.03978	1.8
166.02867	0.5
166.33165	0.5
170.62025	0.6
175.04021	0.9
179.05527	0.7
191.05617	1.3
193.05174	1.0
199.04094	1.5
201.11346	0.8
205.02298	0.6
211.04056	0.8
217.05138	1.2
255.03047	0.6
256.03793	1.9
284.03302	42.6
285.04071	90.6
286.04407	8.1
293.06732	1.1
297.04077	0.7
327.05121	1.2
343.21417	1.0
405.17883	0.7
447.09384	100.0
448.09732	12.4
505.26404	0.9
544.44733	0.6
740.39325	0.9
741.30389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70228	2.3
71.01385	2.0
73.09032	0.5
83.01376	0.6
85.02953	1.6
95.01400	1.8
99.00920	0.6
101.02473	0.6
107.55533	0.5
108.02187	58.9
109.02998	18.4
110.03291	0.9
113.02462	1.0
115.82256	0.5
123.00933	1.2
123.04529	0.8
129.79152	0.5
133.03020	0.7
144.83499	0.5
151.04030	1.1
152.01170	53.4
153.01973	17.9
154.02290	0.8
163.03973	1.2
165.01978	1.8
181.05147	0.9
198.39595	0.7
247.77464	0.5
255.98044	0.5
315.07248	100.0
316.07657	8.2
326.97101	0.7
522.96448	0.5
621.10321	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	741.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.9
61.98842	6.6
71.01392	12.9
71.27135	1.0
71.27562	1.5
72.99301	1.4
73.02948	1.7
79.76617	0.9
85.02956	3.1
87.00874	1.4
89.02464	15.1
93.03503	1.3
95.01362	0.9
99.00885	1.4
99.04536	6.4
100.04895	1.3
101.02444	8.1
109.02961	2.1
113.02482	6.8
119.03519	7.5
121.02947	1.1
123.00890	1.3
131.03477	1.2
133.02968	1.3
137.02461	7.1
143.03470	3.3
149.02425	1.4
151.00403	10.6
151.04030	1.8
152.01065	1.2
152.04878	1.3
161.04546	6.5
163.04047	1.4
164.58987	0.9
165.01921	0.9
166.02740	45.4
167.03336	3.3
175.03923	1.2
177.01872	2.0
179.05670	11.3
179.07138	1.2
181.05095	58.9
182.05415	3.5
191.05573	2.3
207.06667	1.1
219.06659	1.6
254.56058	1.0
281.08118	2.0
308.10559	1.0
309.07693	11.6
310.08191	1.9
323.09518	3.9
324.10089	9.9
339.12433	12.4
340.12598	2.2
387.10941	11.4
388.11234	3.0
402.13065	8.7
403.13541	1.3
417.15591	100.0
418.15921	16.1
552.69574	1.1
741.38458	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	741.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.98824	1.6
62.42430	0.4
65.80028	0.4
70.58411	1.3
71.01400	2.9
73.02151	0.4
73.02942	0.6
74.68921	0.4
85.02959	1.3
89.02459	1.4
99.04520	1.3
100.48288	0.4
101.02435	1.1
109.02994	1.0
110.94089	0.5
113.02447	0.7
119.03420	0.5
121.02981	0.5
123.00909	1.0
125.02407	0.6
137.02457	5.6
149.02483	0.7
150.03226	0.5
151.00381	11.1
151.03996	1.3
152.01132	0.9
152.04802	1.9
161.04550	0.8
165.01985	0.7
166.02730	43.3
167.03242	3.3
175.04074	0.8
177.01935	1.6
179.03464	0.8
179.05597	0.6
181.05086	62.4
182.05391	3.7
184.03726	0.5
190.06360	0.9
191.03613	0.4
191.15259	0.4
192.04315	0.6
193.05029	0.7
205.08694	0.7
207.06688	1.0
301.07419	0.5
331.11823	0.6
339.12466	0.5
359.11279	1.0
387.10913	9.5
388.11169	1.3
402.13239	9.0
403.13531	1.6
417.15588	100.0
418.15958	16.7
424.03094	0.4
579.20905	0.9
740.39935	0.4
741.39508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84078	1.5
55.01879	5.1
57.03439	6.2
58.00608	2.3
59.01096	3.2
59.01383	60.5
61.98832	8.8
67.21809	1.7
69.03429	2.4
69.26329	4.1
69.26734	9.9
71.01388	100.0
72.01733	2.7
72.99306	6.8
73.02949	14.5
75.00872	1.7
83.01398	10.3
84.02140	2.2
85.02953	47.4
86.03287	2.0
87.00864	9.4
89.02450	57.0
93.03447	2.2
95.01407	10.2
96.96049	2.0
97.02956	5.3
99.00887	31.4
99.04538	1.8
101.02449	71.2
109.02955	3.6
111.00870	4.3
113.02457	58.7
113.10402	1.6
114.02736	2.3
115.92269	1.5
119.03506	25.1
121.02981	2.9
123.00870	2.1
125.02441	7.9
131.03535	4.2
137.02460	8.5
139.00407	8.6
143.03514	24.0
149.04543	2.1
150.03218	3.3
151.00409	9.6
151.04112	2.1
159.03044	3.4
161.03268	2.8
161.04573	55.3
166.02731	24.4
167.03200	1.9
175.03987	1.9
179.05644	15.5
181.05074	23.7
191.05588	2.1
193.05017	2.3
195.06602	2.3
203.05650	3.9
205.03552	2.5
221.06760	11.0
241.05070	2.2
245.06653	5.1
263.07864	3.3
265.40683	1.8
269.04498	6.3
270.04950	5.0
271.05133	2.3
323.09860	85.9
324.10223	8.5
331.11935	19.1
387.10876	3.3
417.15674	10.6
418.15698	1.9
535.18323	2.3
579.30316	8.0
688.30743	2.4
741.22650	4.8
741.35400	24.0
742.35992	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	743.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.1
64.41343	0.7
65.00336	1.3
69.49583	4.1
71.01382	2.2
71.55760	0.7
73.02962	1.3
81.74577	0.6
81.84664	0.7
83.01401	0.9
85.02949	1.3
86.23003	0.7
89.02446	1.6
96.96046	0.9
98.22620	0.8
101.02469	2.2
102.81116	0.6
107.01398	1.5
113.02446	1.7
132.56625	0.7
133.02039	1.4
133.02963	10.9
136.01770	0.7
149.02441	2.2
151.00403	4.3
175.04025	3.1
177.02048	0.7
199.04010	2.3
201.02100	1.0
211.84367	0.7
217.05037	1.4
223.24947	0.9
263.07965	0.7
285.04092	100.0
286.04413	11.5
325.03418	1.4
458.44424	0.8
476.14337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
57.03455	0.8
58.00604	0.4
59.01386	100.0
60.01720	1.6
61.13943	0.3
62.85878	0.3
71.01388	11.4
72.99328	0.4
73.02959	4.0
83.01395	2.2
83.48814	0.3
85.02959	5.7
85.03414	0.4
86.03304	0.4
87.00896	0.6
89.02451	2.2
95.01378	0.7
96.62408	0.4
97.02997	0.4
98.22630	0.6
99.00911	1.3
101.02456	8.7
108.74441	0.3
113.02463	5.1
113.03185	0.5
119.03554	0.6
125.02465	0.6
131.91632	0.4
132.02061	0.3
143.03532	0.6
149.55386	0.3
159.03062	0.9
161.04561	4.1
162.94446	0.3
225.14983	2.5
269.10306	10.6
270.10733	0.8
292.55508	0.3
311.11328	6.0
311.14609	0.4
312.11768	0.5
387.20282	9.6
388.20731	1.1
467.03583	0.3
552.39215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
57.66354	2.0
59.01092	4.2
59.01386	80.6
61.98841	11.0
62.84025	2.1
71.01381	17.9
71.12347	3.3
73.02960	13.0
75.00861	5.0
77.88050	2.2
83.01397	7.3
85.02957	7.1
87.00880	3.7
89.02480	5.9
93.03458	3.3
99.00881	3.3
99.04542	3.3
101.02454	15.9
106.04246	3.4
109.02979	4.0
113.02482	6.1
113.89972	2.2
119.03514	2.7
123.04488	2.5
134.03760	39.3
135.02998	8.6
135.04486	7.3
137.02412	5.6
149.02469	9.0
149.06085	21.0
150.03227	22.1
151.04042	2.7
160.01686	10.8
161.02467	14.6
161.04570	3.9
164.04807	4.0
165.05579	16.8
175.04027	14.7
176.04779	6.2
177.05544	7.4
178.02710	5.9
179.03505	20.1
179.05708	2.4
180.04202	2.7
183.98712	2.2
189.05533	6.1
191.05638	3.9
191.07234	3.4
193.05113	36.2
194.05844	14.5
195.06599	7.8
201.92545	2.2
207.06560	3.2
207.13956	3.3
208.03867	3.7
209.08195	23.1
209.11803	7.6
221.04530	6.0
223.06075	6.2
225.14951	4.2
227.12892	37.3
228.13193	3.5
231.06699	2.6
235.06120	8.9
255.84123	2.3
269.13943	8.2
282.09171	2.4
285.03983	3.2
287.15048	100.0
288.15262	7.2
311.07635	2.7
337.09402	16.7
341.10370	7.0
384.39679	2.4
431.19220	7.0
547.18042	6.0
625.24841	14.7
626.25629	4.1
654.56158	2.6
743.26825	14.0
744.27533	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	745.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75833	0.2
59.01384	100.0
59.52875	0.3
60.01719	1.0
63.36507	0.2
75.00863	0.3
83.28896	0.2
84.11446	0.2
88.96626	0.2
98.21652	0.4
103.01506	79.7
104.01835	1.1
132.94963	0.3
155.19995	0.3
228.66640	0.3
240.70326	0.3
328.32379	0.3
345.89383	0.3
346.38870	0.2
406.00378	0.4
481.15033	1.4
482.15085	0.5
495.16736	0.3
514.14508	0.4
514.54858	0.2
540.16742	0.4
554.27948	0.3
555.18793	4.5
556.19189	1.6
572.15051	0.8
621.41705	0.3
621.88086	0.3
641.22327	1.2
642.21991	0.3
659.22992	0.8
660.23132	0.4
677.19257	0.4
701.25018	2.4
702.23798	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	16.0
61.98837	7.8
69.79330	4.6
71.01394	8.7
72.73318	1.0
72.99317	1.1
73.02979	0.9
74.12099	1.1
75.00880	2.8
82.95431	1.7
83.01408	1.3
85.02956	2.5
87.00864	1.3
89.02453	7.4
93.03478	4.4
101.02470	4.3
102.50062	0.9
109.02974	1.9
113.02457	3.6
119.03538	2.7
121.02972	13.7
122.03768	15.1
123.00901	1.2
124.01642	1.7
133.02953	2.0
134.03757	2.6
135.02998	7.2
135.04541	9.0
136.01669	18.1
137.02443	3.7
145.01524	1.4
147.04483	1.2
147.57761	1.0
149.02454	30.6
149.06126	1.2
150.03242	100.0
151.00410	4.8
151.04047	20.4
152.01268	1.2
160.05373	1.4
161.04611	2.0
161.06056	1.4
163.03984	2.7
164.04794	8.1
165.05588	90.0
166.02744	14.4
166.05928	4.8
167.03439	3.3
175.00351	1.2
175.04037	4.0
177.05632	2.2
179.05672	1.9
180.04297	7.0
181.05101	17.2
188.66006	1.2
189.05598	4.1
190.06381	6.8
195.06644	65.9
196.07001	4.5
205.08585	1.7
221.08215	1.2
232.12421	1.1
285.04016	3.4
315.08783	1.7
324.09854	1.2
329.10471	2.9
342.10938	1.5
354.11032	2.0
356.12747	2.1
357.09656	3.6
357.13489	11.0
358.13937	1.4
369.13330	3.6
372.12344	2.9
373.12787	2.5
386.13861	2.4
387.14520	47.9
388.14987	8.4
505.18549	3.5
520.17200	1.2
535.19794	63.8
536.20221	15.6
553.20898	1.4
565.20862	2.2
583.21881	31.3
584.22137	7.9
610.36407	1.0
745.28149	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	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91700	1.5
59.01387	40.7
61.98830	5.6
69.03478	1.5
69.17302	13.4
71.01043	1.3
71.01392	31.9
72.99315	5.0
73.02954	2.2
75.00880	1.8
75.99728	1.4
83.01372	1.5
85.02974	6.3
87.00928	2.5
89.02457	37.4
89.02966	2.5
93.03497	4.4
95.01402	2.6
101.02450	18.7
102.24295	1.6
108.02179	1.8
109.03005	1.5
113.02473	15.5
119.03513	17.8
120.01259	29.2
121.02969	14.6
122.03766	16.1
124.01684	2.5
132.02191	2.2
135.03021	2.8
135.04526	7.9
136.01698	16.8
137.02512	3.7
143.03477	3.2
149.02463	29.3
149.04369	1.5
150.03244	93.1
151.00401	4.2
151.04042	23.6
157.06766	1.8
160.01703	1.8
161.04614	2.8
161.05966	1.5
162.03188	2.3
163.04065	4.0
164.04826	4.9
165.05594	100.0
166.02725	9.3
166.05952	7.7
167.03433	2.2
175.04041	4.8
177.02086	2.9
177.05623	3.1
179.03479	1.6
179.05621	4.5
179.07101	2.2
180.04303	4.7
181.05119	14.1
182.05399	1.5
189.05655	3.8
190.06390	5.8
193.05067	1.8
195.06650	64.3
196.07040	3.5
198.44305	1.7
221.99207	1.5
323.09146	2.0
329.10306	2.5
339.08786	7.0
354.11160	2.6
355.11844	2.1
357.09708	2.6
357.13596	10.6
369.13428	16.1
372.12155	2.8
386.13800	2.1
387.14542	39.0
388.14886	7.2
505.18796	2.8
517.18494	2.1
535.19757	51.0
536.20142	14.1
565.20087	1.6
583.21948	30.9
584.22412	6.7
733.03925	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	745.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35116	1.1
55.01891	2.0
57.03431	1.5
58.00593	5.2
59.01386	99.6
61.98847	7.0
68.58739	1.0
69.03465	1.0
69.08831	6.6
69.09254	4.0
69.68739	1.2
71.01395	81.8
72.01710	1.9
72.99317	10.0
73.02942	2.1
83.01387	2.6
84.61807	1.0
85.02961	12.9
87.00891	5.5
89.02458	100.0
90.02804	2.0
93.03469	2.2
95.01412	4.4
98.21767	2.1
98.95690	1.1
101.02458	45.8
101.54070	1.1
113.02468	33.9
114.02824	2.0
119.03514	45.9
120.03873	1.7
121.02950	4.3
122.03755	7.3
125.02473	1.2
131.03529	5.5
133.02896	1.5
135.04541	1.6
136.01642	1.9
137.21996	1.0
143.03540	7.6
149.02475	15.4
149.04538	4.9
150.03249	44.3
151.03714	1.7
160.01672	1.6
161.04520	7.2
162.03220	2.2
164.04829	3.9
165.05598	38.7
166.05942	2.6
177.05614	1.9
179.03484	1.1
179.04005	1.3
179.05650	13.2
179.07129	1.3
180.04277	4.0
180.05911	1.3
191.05739	1.5
195.06659	25.8
196.07071	2.1
207.77768	1.2
214.14867	1.3
249.15019	2.5
267.75406	1.1
268.07312	1.8
279.06589	1.2
283.09796	2.4
296.07004	2.1
309.07648	1.7
311.09344	3.0
323.09372	6.5
324.06348	2.7
324.09851	2.0
337.10928	1.3
338.11685	1.3
339.08759	16.2
339.12448	2.1
340.09198	2.6
354.11060	7.1
355.11563	1.8
357.13406	1.2
369.13443	33.2
370.13760	4.5
410.05664	1.2
411.20395	2.3
453.21411	5.0
517.18567	11.4
518.19122	2.0
535.19696	1.4
688.84973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15245	1.2
55.01887	1.7
57.03445	3.9
58.00600	1.3
59.01386	70.1
60.01726	1.7
61.98835	9.8
68.98369	1.9
68.98767	10.7
71.01389	22.6
72.99327	2.1
73.02950	8.0
74.16023	1.0
75.00898	2.2
75.60211	1.0
79.69872	1.0
79.71881	1.3
83.01392	5.4
85.02958	16.3
87.00895	3.1
89.02449	10.1
89.36950	1.1
95.01402	1.9
99.00920	2.6
99.04527	1.3
101.02456	14.6
103.36524	1.0
111.00887	1.6
113.02463	12.2
119.03515	3.7
120.01241	1.8
125.02492	1.4
133.03101	1.1
135.03064	2.8
135.04567	1.7
136.01720	1.2
140.08118	1.2
143.03534	2.3
144.80986	1.0
149.02486	3.9
150.03242	10.3
161.04591	1.9
165.05565	11.7
175.04041	1.2
179.05554	1.3
180.04274	1.3
195.06616	6.8
196.06941	1.2
281.50787	1.0
285.04013	2.0
350.78433	1.3
369.13504	1.9
377.27228	2.0
377.51401	1.3
387.14795	2.7
393.22867	1.4
427.28574	1.2
445.29608	6.6
446.29596	1.5
463.30728	8.6
481.31812	21.8
482.32220	4.7
497.27563	2.5
528.42932	1.3
535.19745	2.8
539.32196	3.4
581.33508	4.8
582.33997	1.2
583.22327	1.8
589.33984	2.6
607.34924	12.6
608.35413	2.6
625.35992	100.0
626.36334	25.0
643.37128	22.5
644.37219	5.4
669.34827	1.3
685.38013	9.2
686.37726	2.7
702.87469	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03442	2.9
57.37024	0.6
58.00614	1.1
59.01387	62.2
60.01723	1.0
61.98843	6.8
62.50164	0.6
69.21788	1.5
69.22189	4.0
71.01037	1.1
71.01395	17.2
72.99308	1.1
73.02959	5.4
83.01401	4.0
85.02965	13.2
87.00867	1.8
89.02464	6.8
95.01408	2.2
96.96009	0.9
98.21794	1.4
99.00899	2.0
99.04566	0.7
101.02465	11.9
111.00932	1.0
113.02474	12.2
119.03525	2.9
124.01601	0.9
125.02435	0.9
129.01967	0.8
143.03510	2.2
145.02869	0.6
150.03221	1.0
151.00368	0.9
159.02986	0.8
161.04549	1.0
162.03163	1.1
165.05563	1.2
177.05571	0.9
269.53275	0.6
285.04086	1.4
288.37781	0.7
350.83389	0.7
372.12546	0.7
377.27124	2.2
393.22849	1.2
409.57349	0.7
419.28174	1.3
427.28677	2.2
445.29630	6.3
446.30093	0.8
463.30728	7.9
464.30893	1.6
481.31741	20.1
482.32043	4.4
539.32605	3.7
540.33057	0.8
577.34271	1.1
581.33411	4.4
582.33649	1.7
589.33539	2.0
590.34485	0.8
607.34991	13.2
608.35254	2.7
625.35974	100.0
626.36273	27.1
643.37067	20.6
644.37421	6.9
685.38080	11.1
686.38452	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	747.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98024	3.3
58.02980	5.9
64.23425	2.4
69.55166	4.8
69.55565	11.8
70.18178	2.2
72.00914	2.1
74.02483	15.1
77.01355	2.4
77.04944	2.4
77.99638	2.3
86.02493	3.2
92.38197	2.3
97.04076	2.9
97.85094	2.3
98.22578	2.5
99.05653	9.9
100.00423	3.3
102.05628	2.5
125.97811	5.2
128.03563	33.5
135.05675	6.2
141.00168	2.4
141.06760	3.0
143.04666	37.3
146.04602	7.6
150.15599	2.4
153.06657	2.9
153.97318	7.5
154.98111	6.5
157.95068	10.7
160.00792	9.6
167.04643	5.4
168.99669	25.3
177.03413	5.8
179.04637	7.6
182.99915	3.9
185.05704	4.0
185.94501	14.9
186.95245	3.1
187.96162	18.1
193.05161	5.3
194.99976	4.6
198.02319	5.1
200.96913	51.9
201.97159	2.7
202.98450	7.7
210.02299	6.8
210.04190	2.7
210.08893	5.7
231.65201	2.6
242.07849	2.4
252.02121	10.9
254.07933	11.6
267.04520	9.2
272.08905	29.6
288.06674	8.2
304.06012	3.5
306.07715	100.0
307.08026	8.6
311.03436	12.6
474.06519	33.2
475.06979	5.5
484.05045	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	747.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01709	0.7
69.88513	3.0
87.54929	0.7
98.21784	0.9
110.68316	0.8
123.93523	0.8
174.89720	0.7
263.20999	0.7
297.82855	0.8
330.73721	0.8
382.80869	0.8
455.17557	4.3
467.13950	0.7
473.18521	5.1
474.18658	1.7
483.12714	1.6
496.13913	2.1
498.60184	0.8
512.13196	8.6
513.13782	2.5
525.14026	1.0
526.15149	11.2
527.15442	5.0
569.16510	1.7
600.19513	0.9
601.19324	3.6
602.19232	1.2
613.19482	1.6
614.20270	70.2
615.20435	25.9
632.17664	2.6
646.19043	9.2
647.19873	3.2
673.21606	1.7
687.23029	4.4
688.23499	2.7
747.25281	46.9
748.25562	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	747.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82715	1.0
56.26608	0.9
56.51971	0.9
59.01394	2.9
61.98822	1.4
69.00950	3.4
71.01381	1.5
89.02464	1.2
93.03466	5.2
98.21663	1.1
99.04546	1.0
101.02465	1.3
105.03445	1.2
109.02979	3.9
113.02483	1.5
113.62421	1.0
121.02978	13.2
122.03762	13.7
123.04587	1.5
132.02193	1.3
133.02971	4.6
134.03777	2.6
135.04575	4.9
136.01703	2.0
137.02551	1.0
138.03273	1.2
145.02928	1.1
147.04543	4.1
148.59622	0.9
149.02466	31.3
149.06071	2.2
150.03249	100.0
151.03598	5.8
161.02411	1.4
161.06090	1.4
162.03287	1.1
163.04028	6.5
164.04817	9.7
165.05591	92.3
166.05975	6.2
174.03246	1.4
175.04016	9.9
176.04688	1.8
177.05618	3.0
179.03563	2.2
179.07169	2.1
180.04306	12.3
181.04938	1.8
188.04814	1.6
189.05630	3.8
190.06412	10.1
191.03494	1.0
191.05664	1.0
191.07181	8.3
192.04324	1.1
193.05095	8.1
194.05876	7.4
195.06650	59.2
196.06993	4.7
203.07211	1.0
205.08705	11.1
207.06618	5.1
208.07430	6.1
209.07870	1.2
285.04120	1.2
297.11429	1.2
339.08197	1.1
344.12595	3.1
345.13416	4.2
357.13437	4.6
358.14182	3.5
359.15024	57.0
360.15329	7.8
372.15179	1.0
374.14063	1.0
375.14508	1.2
379.85608	1.0
388.15591	1.2
389.16000	6.4
390.16473	1.3
490.16998	1.0
491.16891	1.0
507.20087	4.0
522.18787	2.1
537.21368	70.0
538.21692	16.3
585.23492	51.6
586.23901	14.2
616.38989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17409	0.9
55.01867	2.0
58.00596	1.2
59.01384	36.9
60.01701	0.8
61.98836	16.7
69.53244	0.9
70.07999	2.2
70.08385	1.5
71.01392	23.0
72.99310	1.9
73.02939	3.5
76.08758	0.9
82.95425	1.2
83.01388	3.7
85.02956	6.3
87.00878	3.8
89.02452	20.2
93.03483	6.7
95.01390	2.5
97.97977	0.9
99.00866	2.7
99.04539	3.1
101.02456	15.9
107.88489	0.8
108.02161	1.6
109.02953	2.8
111.00883	1.8
113.02463	11.9
119.03505	9.0
121.02946	9.5
122.03770	15.8
129.01979	1.6
131.03514	2.2
133.02968	3.2
134.03719	3.3
135.03009	1.0
135.04521	3.0
136.01642	2.1
137.02444	2.0
139.03986	1.1
143.03487	3.2
145.02901	1.4
147.04436	1.3
149.02466	28.8
149.06067	2.2
150.03244	100.0
151.03560	5.2
161.02475	1.2
161.04507	3.7
162.03229	1.7
163.04005	2.4
164.04808	6.8
165.05586	86.9
166.05902	5.8
175.04065	1.7
177.05537	1.8
179.05664	4.8
179.07062	1.2
180.04279	8.7
181.04945	1.3
187.04086	1.3
189.05650	0.9
190.06392	2.9
191.05582	2.7
191.07135	2.1
193.05145	1.5
194.05829	1.1
195.06642	52.6
196.06911	4.6
205.08836	1.7
207.06619	1.4
311.09381	1.7
314.55045	1.1
334.05344	0.9
341.10028	2.2
343.11737	1.3
344.12619	1.9
345.13483	2.3
356.12518	1.7
357.13568	1.1
359.15067	12.3
360.15350	2.2
371.15121	7.4
374.45071	0.9
389.15955	1.1
408.38995	1.0
506.17725	1.9
507.19955	1.9
519.19708	1.4
521.20227	8.6
522.20282	2.2
533.20251	8.9
534.20691	1.3
536.19977	1.3
537.21167	8.9
538.21625	2.4
541.18976	2.1
551.21265	2.1
579.83789	1.1
585.23169	12.5
586.23224	2.5
669.25452	1.2
681.25299	7.5
682.26025	2.0
699.26666	37.7
700.26886	11.0
729.27118	1.3
747.28699	16.1
748.28955	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	747.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77471	2.9
57.03431	4.3
57.42556	3.2
58.00595	4.7
59.01383	98.1
61.98822	8.0
63.00153	2.8
64.93927	2.7
68.98820	15.2
68.99241	13.6
69.03457	5.0
71.01389	73.7
72.99302	5.6
73.02944	12.0
76.41271	3.1
83.01398	12.7
85.02962	22.9
87.00868	5.5
89.02452	40.2
95.01398	8.9
99.00894	7.1
101.02454	46.8
111.00903	4.2
113.02457	28.1
119.03540	14.0
125.02438	4.6
151.00368	3.7
161.04539	3.3
165.05505	2.8
213.78690	3.3
223.84676	2.9
243.57942	2.8
269.04486	5.2
285.04019	8.2
374.59583	3.1
387.13156	3.0
427.56525	3.1
481.27997	4.7
499.28925	16.1
555.53851	3.1
643.33478	100.0
644.33917	24.8
661.34509	93.7
662.34344	18.0
703.35571	38.9
704.35663	10.0
747.30060	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	749.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01394	3.3
63.02401	2.3
65.00326	2.7
69.64908	3.5
71.01387	1.5
73.02929	0.7
83.01395	2.6
85.02924	0.9
93.03465	3.8
95.01411	1.0
98.21992	1.4
98.22544	0.7
101.02435	1.0
105.03470	0.7
107.01428	3.9
107.05052	0.7
109.02955	1.5
111.00890	0.9
121.02941	4.6
124.01681	0.7
125.02465	17.7
133.02980	1.5
135.04532	2.0
137.02466	2.4
139.04077	0.9
143.04976	1.0
145.02965	1.2
149.02449	4.8
150.03143	0.8
151.00388	8.7
152.01099	0.8
155.03474	0.8
155.05069	0.8
157.06618	0.8
159.04532	3.1
163.04053	2.5
164.01215	0.8
165.01913	0.8
165.05557	1.1
171.04486	1.0
175.04102	1.4
177.02007	0.9
177.05565	0.7
178.99933	3.6
180.04227	0.9
183.04465	2.2
185.06146	1.2
187.03986	3.8
191.03491	2.3
191.05643	3.4
192.00682	0.8
199.04019	1.9
200.04729	0.7
201.05577	1.7
205.05028	1.6
211.04030	2.2
212.04700	0.8
214.02669	0.7
215.03542	4.2
227.03499	3.4
228.04120	0.8
229.05052	2.3
239.03448	0.9
255.03027	4.3
257.04535	1.1
273.04068	32.5
273.07068	1.6
274.04449	2.8
284.03320	13.3
285.04062	29.8
286.04388	2.6
301.03564	100.0
302.03897	10.3
325.03537	1.5
447.09357	32.8
448.09753	4.8
561.17786	1.2
600.20013	0.9
749.13055	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74603	0.7
59.01389	4.4
59.06804	0.7
60.99323	1.3
61.76905	0.8
61.98846	8.4
65.79513	0.6
67.01901	4.2
67.46016	0.7
69.03426	1.2
70.59054	0.7
70.59393	1.7
71.01401	5.2
75.27166	0.7
78.95918	12.0
81.03476	0.9
82.95451	0.8
85.02961	16.7
85.03486	0.9
85.06586	1.2
87.00875	5.4
89.02475	2.3
93.03469	25.2
94.03784	0.9
94.33128	0.7
96.96953	1.4
99.00919	0.9
99.04520	5.9
109.02950	1.3
111.04527	4.1
113.02449	1.6
115.07676	1.4
119.03506	0.9
119.05032	4.6
121.02951	0.8
125.06116	0.9
127.04021	1.8
129.03505	3.4
130.04320	0.8
133.02969	2.1
133.19104	0.7
134.03784	0.9
135.04549	25.2
136.04893	1.2
139.05539	0.7
143.07114	2.3
143.18098	0.8
145.02939	1.0
146.03790	1.2
147.04536	23.7
148.04840	0.9
150.03229	2.8
154.04259	1.1
155.03537	1.7
155.05121	1.2
157.17181	0.8
159.04570	1.4
161.02464	5.3
162.03262	1.0
163.04048	1.5
164.04814	1.2
165.01961	1.4
165.05591	48.4
166.05948	2.5
173.04587	9.9
179.03517	18.2
179.05328	1.0
179.05751	1.2
180.04205	3.3
182.03696	2.1
183.04526	23.1
184.04927	1.6
191.05638	100.0
192.06024	4.1
195.06642	4.3
209.08134	0.9
210.03290	1.2
223.00117	1.0
225.09297	2.1
259.08209	9.7
309.11319	3.1
327.10965	2.0
353.08817	3.2
376.05505	0.8
402.07993	2.5
489.17807	4.2
575.21539	2.2
587.21484	5.0
588.21619	1.1
749.26172	48.4
750.26672	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	749.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.3
59.01096	1.3
59.01383	23.6
67.01872	1.3
68.99819	3.1
69.03447	1.1
69.17194	8.3
71.01390	15.9
73.02946	3.7
75.00857	2.0
79.42371	1.0
83.01394	3.1
85.02962	9.8
87.00894	4.0
87.87411	0.9
89.02449	11.1
93.03482	3.4
95.01402	3.4
96.96049	2.1
99.00899	5.1
99.04532	76.4
100.04906	1.8
101.02452	10.4
111.00890	2.5
111.04512	1.2
112.98785	0.9
113.02470	10.0
113.99602	12.8
115.00431	5.1
119.03510	4.6
127.00385	2.8
129.01978	2.8
133.03055	1.2
139.11264	1.2
154.99911	1.3
156.00703	1.2
157.01508	2.3
161.04605	1.3
165.01965	1.8
169.01375	1.1
173.04572	2.4
191.05605	9.0
195.06693	1.4
218.06129	0.9
243.12318	1.9
277.05634	14.6
301.05466	1.2
337.07745	2.6
419.11554	1.4
429.21399	6.1
561.18671	2.2
563.20105	7.4
749.28778	100.0
750.29150	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03448	1.1
59.01385	23.8
67.01879	0.8
68.99823	3.6
69.03421	7.8
70.06372	0.7
71.01389	15.3
71.05000	0.7
72.99306	2.0
73.02955	3.0
73.16785	0.7
74.28625	0.7
75.00874	1.6
76.65735	0.7
83.01382	3.1
83.05058	0.9
85.02959	9.5
87.00887	2.8
89.02448	10.5
93.03466	2.1
95.01398	2.8
97.02957	1.1
98.22517	1.8
99.00896	5.3
99.04530	71.5
100.04885	1.9
101.02454	8.8
111.00892	3.1
112.98801	1.5
113.02466	12.3
113.99608	11.6
115.00407	5.0
119.03535	2.7
119.08686	1.1
127.00404	2.8
129.01973	2.5
135.04562	1.2
137.09727	1.2
139.00359	1.4
139.11400	0.7
145.01418	1.2
150.03267	1.2
154.99854	1.2
156.00626	0.9
157.01434	2.6
161.04570	1.6
169.01440	1.2
173.04535	0.9
173.54390	0.7
179.05658	1.3
183.10202	0.9
191.05638	4.0
195.06842	0.8
243.12482	0.9
271.21222	0.8
274.01971	0.7
277.05679	15.1
303.69772	0.8
305.24063	0.8
337.07751	2.2
403.32162	0.9
419.12457	0.9
429.21387	8.5
430.21561	1.5
561.18536	3.3
563.19702	4.4
649.76001	1.0
749.28748	100.0
750.29102	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.7
61.98837	100.0
65.29180	0.3
70.90279	0.4
70.90589	0.5
83.46873	0.3
104.34245	0.3
116.84695	0.3
140.56216	0.3
194.91313	0.3
514.13916	0.4
529.15320	0.5
616.20709	1.0
617.20453	4.6
649.19800	0.6
750.25537	3.9
751.24359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04648	0.7
55.01873	2.5
57.03443	2.0
59.01384	16.6
68.99813	3.4
69.10240	4.8
69.10651	1.2
71.01383	8.2
72.99313	1.1
73.02951	5.3
75.00863	1.7
75.81709	0.6
83.01389	4.8
85.02967	7.0
87.00885	5.6
89.02457	2.2
94.81379	0.7
95.01416	1.4
97.02971	0.9
99.00885	3.8
101.02447	4.0
111.00889	3.3
112.98804	4.0
113.02457	5.2
113.99604	8.2
115.00414	3.9
119.03478	0.8
125.02433	0.8
127.00393	5.5
129.02010	3.3
130.34850	0.7
131.03485	0.7
135.03027	0.8
139.00374	3.3
139.11298	12.3
145.01468	6.2
153.01901	0.6
154.99878	6.8
157.01416	2.6
161.04555	2.0
163.11308	1.6
169.01390	0.7
179.05658	0.8
179.07137	0.9
181.12346	7.7
182.12463	0.6
183.10278	13.9
184.10641	1.1
187.02614	1.1
191.05615	2.1
199.13460	3.4
225.11362	5.3
226.11690	0.6
243.12384	21.4
244.12749	1.9
249.11342	0.7
277.05679	10.2
278.06131	1.3
284.14658	0.6
285.13461	3.0
301.05658	1.1
319.06705	2.3
337.07675	3.0
371.13550	1.0
372.95773	0.6
510.47739	0.7
545.19073	0.9
546.42688	0.7
563.19855	100.0
564.20111	19.7
605.20929	13.1
606.21149	3.0
647.22839	0.7
691.20947	1.8
751.24854	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	751.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17532	1.5
59.01380	5.2
61.98835	2.5
64.85684	1.8
71.01395	4.8
71.26078	1.5
85.02956	2.8
89.02454	2.2
93.03483	7.0
101.02455	2.5
108.02214	3.7
109.02976	2.6
110.39970	1.5
113.02451	2.8
121.02990	13.0
122.03764	17.1
123.04546	2.6
132.02211	2.9
133.03004	10.7
134.03760	6.2
135.04535	3.1
136.01672	6.0
137.02464	2.2
141.24361	1.5
145.02954	4.9
146.03798	4.5
147.04550	7.6
149.02454	46.2
149.06129	9.0
150.03246	100.0
151.04047	8.0
159.04488	5.1
160.05289	10.4
160.44746	1.7
161.02460	3.0
161.06091	6.6
162.03255	4.8
162.32071	1.6
163.04073	6.2
164.04785	14.2
165.05586	83.0
166.05975	5.4
173.06082	3.8
175.07666	9.7
176.04787	3.6
177.05542	8.2
178.06410	2.1
179.07175	4.7
180.04317	6.5
191.05612	2.3
193.04970	1.8
195.06641	35.2
196.06929	2.2
270.08905	2.6
285.04056	6.8
313.10944	2.0
315.12338	2.5
329.13962	24.1
330.14203	3.7
338.13300	1.5
343.11838	6.8
477.19299	22.6
478.19873	2.9
507.20389	19.6
508.20782	3.4
525.21301	5.1
555.22162	4.7
561.21204	5.7
655.25671	26.8
656.25696	6.4
667.25476	4.7
673.27075	2.5
685.26349	11.3
686.27222	2.8
697.26593	3.0
703.27710	5.3
704.28735	1.8
715.27875	4.7
733.29376	3.2
751.29578	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	751.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17532	1.5
59.01380	5.2
61.98835	2.5
64.85684	1.8
71.01395	4.8
71.26078	1.5
85.02956	2.8
89.02454	2.2
93.03483	7.0
101.02455	2.5
108.02214	3.7
109.02976	2.6
110.39970	1.5
113.02451	2.8
121.02990	13.0
122.03764	17.1
123.04546	2.6
132.02211	2.9
133.03004	10.7
134.03760	6.2
135.04535	3.1
136.01672	6.0
137.02464	2.2
141.24361	1.5
145.02954	4.9
146.03798	4.5
147.04550	7.6
149.02454	46.2
149.06129	9.0
150.03246	100.0
151.04047	8.0
159.04488	5.1
160.05289	10.4
160.44746	1.7
161.02460	3.0
161.06091	6.6
162.03255	4.8
162.32071	1.6
163.04073	6.2
164.04785	14.2
165.05586	83.0
166.05975	5.4
173.06082	3.8
175.07666	9.7
176.04787	3.6
177.05542	8.2
178.06410	2.1
179.07175	4.7
180.04317	6.5
191.05612	2.3
193.04970	1.8
195.06641	35.2
196.06929	2.2
270.08905	2.6
285.04056	6.8
313.10944	2.0
315.12338	2.5
329.13962	24.1
330.14203	3.7
338.13300	1.5
343.11838	6.8
477.19299	22.6
478.19873	2.9
507.20389	19.6
508.20782	3.4
525.21301	5.1
555.22162	4.7
561.21204	5.7
655.25671	26.8
656.25696	6.4
667.25476	4.7
673.27075	2.5
685.26349	11.3
686.27222	2.8
697.26593	3.0
703.27710	5.3
704.28735	1.8
715.27875	4.7
733.29376	3.2
751.29578	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	751.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43480	1.0
55.01869	2.9
57.03453	1.8
58.00584	3.8
59.01387	100.0
69.12703	9.3
70.45820	1.2
71.01389	78.1
72.01714	1.7
72.99306	3.2
73.02953	27.4
73.25290	1.1
81.03465	1.3
83.01395	8.8
84.02168	1.3
85.02956	22.6
87.00876	4.7
89.02454	52.2
93.03455	2.4
95.01406	5.6
97.02947	1.5
98.22539	2.0
99.00873	6.1
99.04525	1.4
101.02456	50.5
101.03127	2.4
102.02814	1.5
113.02464	35.4
119.03516	22.4
122.97161	1.1
125.02440	2.6
131.03474	5.3
143.03503	8.3
149.04573	6.4
150.03258	1.3
153.79976	1.1
159.03030	2.9
159.91974	1.0
161.04575	57.2
162.04938	1.4
165.05591	2.2
165.28664	0.9
179.05623	27.0
183.04552	1.1
191.05606	5.1
203.14464	2.3
205.03535	1.1
221.06683	10.3
233.06659	3.3
233.15457	1.8
245.15480	4.0
245.80063	1.4
259.17004	1.7
263.07651	2.3
287.16458	4.7
288.16733	1.1
319.06778	3.1
363.16721	3.3
455.22949	4.1
467.22787	1.9
509.24326	5.4
510.24286	1.7
563.19623	3.4
751.28931	7.8
752.28162	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	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
61.98829	0.6
69.33771	1.2
71.01380	1.1
72.99316	4.2
73.02959	0.3
73.99624	0.2
75.00881	100.0
76.01234	1.2
87.00927	0.3
89.02471	0.9
93.95287	0.2
101.02441	0.9
113.02433	0.2
118.14950	0.2
119.03544	0.5
125.02494	0.4
127.74884	0.2
138.28856	0.2
160.79233	0.2
161.04596	0.3
179.05757	0.3
186.30804	0.2
212.67238	0.2
235.08270	0.5
253.58644	0.2
277.21747	2.9
278.22162	0.2
397.13519	4.6
398.14014	0.6
415.14706	1.6
416.15427	0.2
561.20422	0.3
751.25037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93765	0.5
59.01384	1.5
61.98825	1.4
69.33484	2.9
71.01389	1.6
72.99321	4.3
75.00883	100.0
76.01208	1.1
89.02483	1.3
101.02455	1.2
113.02498	0.6
161.83315	0.5
179.05789	0.5
235.08275	0.8
261.95862	0.4
277.21750	3.9
278.22183	0.7
289.62982	0.5
397.13580	7.7
398.13745	0.8
415.14600	2.4
416.15240	0.5
580.30957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93127	1.2
55.19123	1.1
57.16800	0.9
59.29210	1.0
66.92131	1.0
68.54129	0.9
69.08958	4.5
69.09393	4.3
71.01373	1.6
82.61283	1.0
85.02937	1.2
90.39870	1.0
93.03460	1.6
96.96049	1.9
97.41638	1.1
108.02180	2.1
109.30379	1.1
119.57880	0.9
121.02959	3.0
129.03531	1.2
134.03731	1.8
145.02985	5.4
146.03737	3.0
147.04556	3.3
149.06114	1.6
158.03746	24.9
159.04384	4.1
165.05554	8.4
176.04808	4.4
177.05516	1.6
189.05588	3.1
191.05647	5.9
193.04987	1.6
198.66475	1.0
208.03815	1.2
235.07550	2.0
236.08417	1.3
251.07175	2.0
252.07953	2.5
254.09534	5.1
262.06372	1.4
263.07111	3.4
264.07788	2.7
265.08740	4.8
267.06683	1.8
268.07379	3.6
270.93124	1.2
275.07166	1.1
276.07944	2.8
277.08801	2.8
279.06610	4.2
280.04532	2.3
280.07440	29.7
281.08084	6.6
282.09058	6.3
283.09775	8.0
291.06693	2.7
292.07538	3.8
293.08221	7.5
294.09027	17.8
295.09769	61.3
296.10138	5.4
297.07660	2.6
298.08444	3.6
308.06790	1.5
309.07700	20.7
310.08481	36.7
311.08957	3.9
311.96118	1.2
312.10101	1.2
313.10858	53.0
314.11105	7.0
325.10843	100.0
326.11191	13.1
337.09528	2.1
343.11884	24.0
344.12265	3.6
400.49908	1.3
517.17065	15.4
518.17670	2.9
529.17236	18.7
530.17340	3.9
547.18298	51.7
548.18658	9.9
555.20886	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	753.226
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
59.01390	19.5
61.98824	6.1
71.01396	15.2
71.26866	2.2
73.02958	2.1
85.02982	4.0
87.00930	2.4
89.02454	18.7
93.03477	5.0
101.02480	6.8
111.00920	2.8
112.11099	2.0
113.02467	10.8
113.60641	2.0
119.03498	4.8
121.03003	8.4
134.03773	2.6
135.04539	8.0
149.02460	47.8
150.03226	10.4
151.04089	2.1
152.01176	9.5
161.04642	3.3
162.03215	2.7
163.04016	14.4
164.04820	30.6
165.01939	6.1
165.05573	5.4
167.03508	2.8
169.05099	5.4
175.00424	9.6
176.01213	12.6
177.05571	3.6
179.05618	7.6
179.07193	11.0
181.05009	2.4
190.02777	30.6
191.03520	20.0
191.05281	3.1
193.01460	25.0
194.02052	4.2
195.06586	2.1
205.03296	4.3
205.05095	42.2
206.05676	4.6
207.03015	10.8
208.03795	58.7
209.04402	9.5
221.04649	2.3
221.08276	2.5
222.05382	10.8
223.06148	100.0
224.06564	5.3
237.07683	4.9
247.06139	5.1
265.07245	11.3
349.15756	2.1
353.08823	37.1
354.08997	2.5
367.10361	41.2
368.10818	5.6
385.11517	5.4
411.90579	2.1
477.18726	2.5
519.48724	2.0
585.43256	2.2
591.17261	48.8
592.17200	11.1
633.17932	4.1
687.26819	2.1
693.49475	2.3
749.85522	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	753.2255
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
59.01375	3.0
59.46400	0.6
61.98823	1.4
69.13648	5.7
70.15713	0.6
71.01392	3.8
72.99348	0.7
73.02938	1.0
83.01416	0.6
85.02947	1.7
85.60236	0.7
89.02444	1.6
93.03463	1.9
96.96037	1.2
101.02471	1.4
113.02470	2.7
117.03524	0.7
119.01395	1.8
121.02969	4.1
134.03735	1.5
135.04539	5.2
137.02420	1.6
147.00920	0.8
147.11668	0.7
149.02458	25.9
149.03645	1.5
150.02950	2.5
152.01166	8.4
162.03186	0.8
163.04013	7.7
164.04814	22.6
165.01959	1.8
165.05208	1.1
167.03479	1.4
168.68753	0.6
169.05084	3.0
175.00389	10.0
176.01169	3.0
179.03749	1.2
179.05708	1.4
179.07184	8.1
180.04271	0.7
190.02748	26.0
191.03448	4.9
191.05627	3.0
193.01445	16.5
194.01938	2.0
205.05087	22.4
206.05771	4.2
207.02983	4.0
208.03790	46.8
209.04387	4.2
221.08241	3.2
222.05318	2.2
222.19312	0.7
223.06136	100.0
224.06453	9.4
237.07686	2.7
249.06194	0.7
250.04895	1.6
256.46265	0.6
265.07187	8.5
267.07312	1.7
307.08072	0.8
319.50098	0.7
346.68839	0.7
353.08786	8.5
354.09134	1.0
367.10364	37.6
368.10648	4.1
385.11435	2.6
495.17587	0.7
591.17249	47.2
592.17444	8.6
610.88025	0.7
633.18231	1.3
651.42456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.226
Annotation	3,6'-Disinapoyl sucrose
Peak:m/z	Relative Intensity
59.01381	3.2
59.83784	0.7
61.98829	4.1
65.00333	1.2
67.01883	0.9
71.01396	4.1
71.27421	0.9
72.99315	0.7
73.02949	1.3
78.31411	0.7
83.01349	0.8
85.02960	2.5
89.02492	1.5
93.03481	3.4
93.70007	0.7
95.01412	1.0
101.02472	2.1
107.05064	0.9
109.02960	0.9
113.01742	0.7
113.02471	2.7
119.01372	1.6
121.02969	8.6
123.04529	0.7
132.69073	0.8
133.02948	0.7
134.03749	2.8
135.04559	6.6
137.02481	2.3
147.00920	2.9
147.04474	0.9
148.01669	3.4
149.02469	44.9
150.03267	12.4
151.03979	2.7
152.01161	8.5
153.01920	2.7
153.05560	0.7
161.02519	0.9
162.03163	1.0
163.04033	13.7
164.04814	33.6
165.01949	4.6
165.05577	5.2
166.02721	0.7
167.03474	2.2
167.07187	0.8
169.05075	5.7
173.04561	0.9
175.00386	13.9
176.01175	28.6
177.01631	2.7
177.05605	1.4
179.03598	4.2
179.05714	1.5
179.07149	10.5
180.04210	1.2
181.05038	1.4
185.06131	0.6
190.00983	1.0
190.02747	34.9
191.03517	42.1
192.04027	3.0
192.05936	0.8
193.01436	26.7
193.05072	2.5
194.02150	6.7
195.03015	2.4
205.05083	47.3
206.05640	7.3
207.03009	21.3
207.06636	2.0
208.03786	49.9
209.04541	16.6
210.04950	0.8
217.01437	0.9
221.08141	3.3
222.05362	21.0
223.06142	63.8
224.06413	3.9
232.03931	1.0
237.07697	12.7
247.06082	4.4
250.04823	1.7
251.05615	2.8
265.07172	8.8
266.07559	0.8
338.06357	1.8
352.07938	0.9
353.08817	63.0
354.09201	6.9
367.10388	32.4
368.10800	4.1
385.11514	5.2
538.50964	0.7
559.14526	0.9
591.17236	100.0
592.17657	22.5
633.17987	4.8
634.18304	1.8
744.27112	0.7
753.29297	2.3
777.71777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94045	1.2
59.01389	7.5
60.92120	1.2
69.14294	10.5
71.01382	8.9
72.99324	2.8
75.00886	10.8
85.02962	10.6
87.00856	3.4
89.02463	2.5
95.01398	3.3
96.96017	2.0
98.22548	2.2
99.00904	6.9
99.96529	1.3
101.06094	66.3
102.06418	1.8
103.00330	1.3
113.02463	14.2
190.27988	1.3
218.20634	1.5
231.05052	1.5
249.06247	9.6
274.28094	1.3
304.44098	1.2
325.10812	2.2
351.12982	100.0
352.13361	9.1
385.35602	1.2
404.11591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01385	2.1
60.99302	1.2
67.01904	3.3
69.03458	1.3
70.61656	0.7
70.63449	0.3
71.01385	2.2
81.03477	0.7
83.05010	0.8
85.02960	4.3
87.00887	5.5
89.02477	0.4
93.03469	26.4
94.03802	0.6
95.01443	0.4
97.02973	0.4
98.22446	0.3
99.00865	0.6
99.04525	0.7
101.02442	0.5
109.02995	0.7
111.04533	3.7
112.04882	0.4
113.02482	1.0
115.03995	0.4
117.03466	0.9
125.73547	0.3
127.04047	1.5
129.01924	0.6
134.03758	8.1
135.03018	0.7
137.02483	0.4
143.03506	0.3
149.06126	0.7
155.03482	0.7
160.01692	0.6
173.04568	8.5
175.03966	0.5
188.49568	0.3
191.05630	100.0
191.66469	0.3
192.05978	4.5
193.05080	5.8
194.05389	0.4
367.10361	36.7
368.10648	4.0
455.26654	0.3
720.44373	0.3
753.28583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01387	2.2
60.99298	1.4
61.83735	0.4
66.01540	0.3
67.01904	3.8
69.03451	1.2
71.01382	2.2
71.27328	0.5
81.03477	0.7
83.05037	0.8
85.02965	4.6
87.00890	6.1
93.03473	24.6
94.03799	1.0
97.02942	0.4
99.00920	0.4
109.03002	0.5
111.04528	3.8
113.02438	0.8
117.03471	0.9
127.04005	1.2
129.01952	0.9
131.03505	0.3
134.03758	8.3
135.03030	0.3
135.04057	0.3
149.06097	0.6
155.03520	1.1
160.01714	0.6
160.03854	0.4
173.04561	8.1
175.04031	0.8
191.05635	100.0
192.05968	4.1
193.05037	5.2
283.94220	0.3
367.10361	33.8
368.10709	4.6
410.24136	0.4
594.86322	0.4
613.59009	0.4
721.30646	0.4
776.85962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62927	1.1
59.01383	3.9
61.98831	4.7
71.01385	3.0
73.50017	1.2
77.79012	1.4
79.21092	1.2
85.02962	2.1
87.02742	1.2
88.98850	2.0
93.03481	4.2
101.02471	1.3
108.02206	2.4
109.03046	1.8
121.02974	13.1
122.03759	17.9
123.04552	3.6
124.01664	1.5
132.02194	2.8
133.02988	9.9
134.03752	8.6
136.01649	2.0
137.02519	1.7
145.02977	7.8
146.03705	4.7
147.04558	6.7
149.02458	34.5
149.06070	11.5
150.03244	100.0
151.03563	6.1
159.04587	1.7
161.02466	3.5
161.06129	3.7
162.03238	4.7
163.04025	1.7
164.04836	9.5
165.05585	93.0
166.05946	5.3
177.05661	3.2
179.03557	1.8
179.07130	3.3
180.04303	5.0
181.05054	1.7
191.05495	1.9
195.06642	38.4
196.07014	3.1
208.37979	1.4
230.35480	2.5
329.14056	2.1
343.11896	3.3
346.14294	3.7
347.15106	3.5
361.16626	23.0
362.16934	4.2
415.17581	2.4
477.19208	1.9
479.19919	1.5
507.20496	1.5
509.14719	2.5
509.21872	30.6
510.22208	5.9
521.21954	5.4
539.22955	5.3
557.24127	4.8
563.22382	3.8
611.25476	1.5
657.27081	16.5
658.27747	7.0
669.26581	3.9
687.28186	11.2
688.28180	3.6
699.28424	3.0
705.29205	9.4
706.29028	3.3
717.29382	2.0
718.29712	2.0
735.30096	3.6
736.30865	1.9
753.30859	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	753.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.6
59.01384	100.0
60.25840	3.7
63.84365	3.9
67.30916	3.6
70.29759	6.9
70.30114	11.1
71.01390	72.5
72.99318	5.7
73.02964	18.3
83.01408	11.1
85.02959	29.1
87.00889	9.3
88.40858	4.0
89.02444	33.9
95.01402	7.8
101.02451	46.6
113.02471	34.4
119.03526	14.5
125.02428	6.0
143.03500	8.1
143.10757	6.2
158.12650	4.0
161.04573	7.7
179.05550	5.8
343.28860	4.7
487.32932	14.0
505.33759	12.0
649.38159	96.8
650.38702	26.2
667.28522	6.4
667.39117	81.3
668.39355	10.3
709.39899	28.7
710.40521	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	753.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
58.00606	4.3
59.01385	100.0
60.01721	2.6
69.14524	13.7
71.01389	63.2
72.99293	3.7
73.02944	7.8
73.13572	1.7
75.30692	1.5
75.82083	1.5
83.01388	5.0
84.59720	1.6
85.02959	15.5
87.00867	3.1
89.02457	45.7
95.01411	3.3
97.02937	2.1
100.62068	1.5
101.02457	30.9
113.01741	2.8
113.02463	34.4
119.03522	18.9
125.02437	3.4
131.03557	2.0
143.03491	5.1
161.04584	14.6
179.05653	11.7
227.16753	2.5
267.69006	2.0
487.32928	6.6
505.33890	2.3
534.74957	2.0
649.38043	44.0
650.38611	11.3
667.39172	33.5
668.39380	9.2
709.40967	10.4
710.40521	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	753.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	5.9
59.01094	5.2
59.01385	100.0
61.97258	2.9
61.98835	9.7
71.01389	78.3
72.99323	7.2
73.02949	7.2
85.02965	18.0
85.59101	3.6
87.00897	5.2
89.02462	65.7
95.01436	6.4
101.02456	46.2
113.02472	35.2
119.03523	35.7
131.03558	3.9
138.14816	3.7
143.03531	13.6
148.19534	3.8
161.04599	23.4
169.77501	3.6
179.05630	18.9
231.23436	4.0
504.79196	4.1
505.34290	8.5
643.94189	4.6
649.38342	28.1
650.38300	10.9
667.39178	21.0
709.40472	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	754.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
70.90343	1.1
70.90694	1.7
109.09783	0.8
115.78426	0.8
201.56857	0.8
239.03598	1.0
268.03812	15.8
269.04492	5.1
400.37863	0.9
508.96240	0.9
534.93927	0.9
691.31171	12.0
692.31799	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	755.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.9
61.98816	2.2
63.02382	1.5
65.00337	1.5
68.99653	5.8
69.00058	1.4
71.01367	2.6
85.02978	1.1
89.02451	1.2
98.22559	1.7
101.02456	0.9
107.01411	2.4
113.02485	1.4
125.02415	0.8
130.74800	0.7
133.02995	4.3
137.02370	0.7
145.66367	0.7
149.02438	2.5
151.00415	4.8
154.51082	0.8
160.82072	0.8
161.04616	1.0
165.05650	0.8
175.03998	2.3
193.05168	1.0
199.04016	2.5
211.03891	0.9
217.05048	1.1
223.06062	1.6
239.03416	0.9
241.05006	1.1
256.03809	2.3
284.03299	45.7
285.04062	100.0
286.04407	10.3
309.03998	0.8
327.04965	2.0
429.08258	1.0
447.09229	1.4
478.72220	1.0
593.14740	1.9
594.15094	0.8
755.20441	71.7
756.20844	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	755.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98814	2.4
63.02383	1.7
65.00330	1.4
66.86935	0.6
71.27546	0.9
83.01390	1.5
84.75686	0.6
85.02979	1.3
89.02467	0.8
90.23681	0.7
98.21999	0.6
101.02489	1.1
107.01400	3.1
113.02502	0.6
119.03504	0.8
121.02955	0.9
125.02494	1.0
133.02965	6.6
134.03709	1.3
149.02441	2.9
150.03242	2.2
151.00383	5.6
152.01135	1.3
165.05556	2.1
167.03484	2.0
173.37643	0.8
175.04056	2.2
191.05621	0.9
195.06615	1.2
199.04024	2.5
210.31610	0.6
211.04044	1.5
217.05048	1.3
223.06226	1.4
227.03676	0.8
233.23792	0.6
239.03645	0.7
241.05023	1.5
256.03772	1.9
284.03317	49.7
285.04074	100.0
286.04388	9.6
361.16553	1.7
447.09055	1.1
557.24042	2.4
558.24170	0.7
593.15186	2.2
633.14917	0.7
755.20410	66.4
756.20880	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	755.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.4
61.98832	1.1
63.02394	1.1
69.10942	3.4
69.11368	2.8
71.01371	2.4
89.02440	2.0
101.02457	0.9
107.01404	1.7
109.02943	1.0
116.18961	0.6
121.02950	0.9
133.02986	4.9
135.04556	0.9
149.02388	1.5
151.00356	4.4
175.04010	2.7
179.05710	0.9
191.05644	2.0
199.04031	2.4
218.66405	0.7
254.98146	0.7
284.03381	9.0
285.04080	100.0
286.04453	8.4
360.37503	0.7
469.63846	0.7
593.15021	6.5
594.15759	1.2
655.63202	0.8
694.83356	0.8
755.20477	34.3
755.34174	1.6
756.20862	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	755.205
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01383	2.5
60.99308	0.5
63.02409	0.5
63.89165	0.5
65.00336	0.7
65.17446	0.4
66.35561	0.5
67.01894	1.4
71.01382	1.5
73.02956	0.6
81.03490	0.4
83.01395	0.7
85.02937	1.8
87.00899	4.0
88.98818	1.2
89.02461	0.8
93.03468	7.5
94.03818	1.0
99.42382	0.6
101.02450	0.9
107.01398	1.2
107.82867	0.4
109.03006	0.7
111.04527	1.2
117.03497	0.7
119.03494	0.6
121.02950	0.7
133.02969	2.9
134.03741	2.7
147.56873	0.5
149.02466	1.6
150.03249	0.5
151.00375	3.3
165.05637	0.5
169.43684	0.6
173.04591	2.4
175.04050	2.1
178.70927	0.4
191.05627	23.1
192.05949	4.9
193.06149	1.6
195.06639	0.5
199.03983	1.7
213.05676	0.6
217.05153	1.1
223.06200	0.6
241.05037	0.7
243.02895	0.6
255.02922	0.8
256.03848	1.1
269.04654	0.7
284.03278	15.0
285.04071	100.0
286.04410	9.8
327.04965	0.5
367.10391	5.7
368.10703	4.0
369.10822	1.7
376.11963	0.5
445.52502	0.5
447.09589	0.8
593.15173	54.5
594.15515	10.5
755.20416	10.7
756.21295	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	755.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48858	0.8
59.01370	1.3
61.98820	0.8
62.66447	0.7
68.99773	5.7
69.00190	2.5
71.01389	1.7
75.00880	1.4
80.31108	0.8
85.02966	1.8
87.00883	2.9
89.02418	0.9
93.03480	3.7
94.03828	0.8
95.77586	0.7
96.96013	0.9
98.22542	1.5
107.01408	1.2
107.91119	0.8
113.93299	0.9
121.02976	1.0
133.02975	3.2
134.03757	3.3
149.02458	1.0
150.03265	1.0
151.00380	3.1
160.01651	1.0
165.05579	1.8
173.04510	1.4
175.04013	2.4
191.05640	13.9
192.06003	4.2
193.04947	1.7
195.06610	1.2
199.04076	1.9
255.03148	1.0
269.04529	1.5
284.03271	14.7
285.04065	100.0
286.04364	9.9
367.10297	2.6
368.10605	2.4
369.11102	1.8
371.09711	1.4
447.09412	1.4
533.12799	0.9
593.15137	58.8
594.15472	10.1
755.20184	9.2
756.20837	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	755.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.0
59.01390	78.1
61.98834	13.5
65.68506	3.6
71.01400	48.5
73.02948	13.2
80.71789	3.5
83.01424	7.6
84.81088	3.4
85.02962	26.2
87.00877	8.1
88.98772	3.4
89.02465	15.1
90.98299	3.4
95.01416	5.8
97.02980	5.0
99.00933	3.7
101.02461	32.8
113.02467	21.8
119.03494	6.1
121.02976	11.3
125.02495	4.4
159.03020	3.3
161.04596	7.7
202.18105	3.4
215.61145	3.2
222.73026	3.2
230.37901	4.7
238.84698	3.0
269.04822	5.3
345.30338	7.1
489.34161	6.7
507.35516	9.6
651.39642	100.0
652.40088	29.4
669.30176	4.5
669.40881	64.7
670.41034	19.5
711.41699	22.0
712.41901	7.3
777.76825	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	755.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03445	5.0
59.01386	89.9
69.08332	12.5
69.08735	3.0
71.01389	55.6
72.01735	1.7
72.99312	2.4
73.02951	15.6
75.00825	2.0
82.26727	1.7
83.01388	7.6
85.00423	2.3
85.02963	28.5
87.00881	5.7
89.02455	19.9
95.01384	7.5
97.02960	2.5
98.21765	2.6
99.00898	5.9
101.02454	29.8
111.00891	3.3
113.02470	27.0
119.03510	6.0
124.01704	2.1
125.02448	5.7
131.03519	1.7
143.03526	6.3
159.02904	2.5
161.04568	6.8
174.43729	1.8
176.82794	1.4
179.05721	2.0
197.15405	1.8
345.30127	5.4
445.70569	1.7
489.34286	6.0
501.20245	1.7
507.35541	9.0
508.35883	3.2
651.39685	100.0
652.40131	27.0
669.40723	60.5
670.41229	16.1
711.41754	28.4
712.41846	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	757.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.9
61.28576	0.5
61.98137	0.5
61.98842	1.2
63.73004	0.6
71.01376	2.3
71.61610	0.6
72.99309	1.4
75.00882	17.0
75.19255	0.5
83.01411	0.9
85.02972	0.8
87.00877	0.9
87.25117	0.5
89.02451	2.0
101.02458	1.6
113.02478	0.8
117.01948	1.3
125.80669	0.6
135.03020	25.0
151.00362	0.8
191.05637	1.4
229.12823	0.5
299.16415	0.6
332.06775	0.8
343.06171	1.9
344.06516	1.1
359.05673	1.8
360.06558	1.5
371.05682	1.3
372.06445	2.1
387.05054	3.6
388.05893	4.6
389.06418	1.4
399.05054	0.6
400.05737	1.3
415.08582	1.1
416.05301	8.2
417.05884	2.7
418.06958	2.2
427.04742	0.7
433.09314	2.2
444.04922	24.0
445.05249	5.1
459.07269	100.0
460.07559	16.5
473.08649	2.3
531.37567	0.6
595.14667	5.0
596.15259	1.3
621.12537	23.2
622.13007	5.9
757.36591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18865	1.0
59.01384	5.2
65.00322	6.2
65.52187	0.8
67.33053	0.8
71.01378	2.8
72.99326	1.7
75.00497	1.6
75.00883	19.8
83.01381	2.5
87.00948	0.9
88.41475	0.8
89.02442	1.9
93.84758	0.8
94.46700	0.8
101.02451	0.9
107.01398	8.3
108.02197	1.7
109.02964	3.2
116.30372	0.9
117.01917	2.5
125.02435	1.4
135.03018	34.8
136.03368	1.1
137.02499	1.2
145.02995	1.2
149.02470	0.9
151.00385	26.2
152.01059	1.7
161.02434	2.1
165.01930	2.8
184.65311	0.8
235.04146	1.1
237.05562	1.1
248.04881	0.9
249.05650	2.6
252.04158	2.1
253.04985	1.4
263.03415	1.9
264.04279	8.4
265.04971	5.6
266.05859	8.6
267.02924	1.6
267.06580	3.0
279.03049	2.1
280.03616	1.3
281.08252	3.2
283.02368	2.0
285.04001	1.3
287.81943	0.9
291.02936	6.0
292.03705	3.4
293.04526	3.3
295.02426	3.4
296.03183	2.9
297.04016	2.7
307.02454	3.6
307.05942	1.6
308.03281	8.0
309.03983	6.5
313.05109	0.9
319.02515	1.9
323.05634	10.9
331.05899	1.0
335.01926	3.3
343.06067	2.1
349.03351	1.1
359.05414	2.0
371.05624	2.0
372.06244	3.0
373.06876	1.0
387.04858	1.7
389.06659	2.1
399.05069	2.7
400.05737	2.6
401.06812	1.4
416.05115	4.4
417.06189	5.0
418.06946	7.8
430.06799	1.2
431.07687	3.3
432.08459	1.9
433.09305	39.5
434.09689	6.3
441.06274	2.5
443.04242	2.1
444.04816	9.0
445.05466	2.5
458.06516	1.3
459.07254	100.0
460.07602	20.3
595.14667	36.1
596.15118	8.0
621.12531	93.4
622.12946	20.6
634.08313	1.3
639.13800	7.0
640.14502	1.2
757.16241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
58.00585	0.3
59.01383	5.6
60.01733	0.2
61.98833	0.9
62.79835	0.3
65.00369	0.3
71.01389	2.8
71.27360	0.4
72.99322	3.7
73.02966	0.5
75.00881	40.6
76.01217	0.6
83.01382	0.4
85.02935	0.6
87.00886	0.9
88.98804	2.3
89.02461	2.3
93.03492	0.5
95.01382	0.3
96.95987	0.5
99.00901	0.5
101.02472	0.8
107.05012	0.3
109.02927	0.3
112.98840	0.5
113.02472	0.6
115.00317	0.3
117.01949	5.3
119.03514	0.5
119.05064	0.4
133.02989	0.8
134.03773	1.9
135.03015	100.0
136.01692	0.4
136.03337	2.8
137.02478	0.5
142.51109	0.3
149.02495	0.8
149.06076	0.8
150.03175	0.7
151.00380	0.4
152.04787	0.5
154.99879	0.5
160.01637	0.9
161.02441	0.6
164.04782	0.5
165.05608	0.6
167.61452	0.3
169.04955	0.3
175.04033	0.8
178.02715	0.5
179.03523	0.5
191.03560	0.3
191.05589	0.6
193.01422	0.5
193.05122	2.1
208.03882	0.3
209.08238	0.5
211.03909	0.4
223.06099	0.7
227.03429	0.3
227.12930	0.3
255.03020	6.7
256.03683	2.9
257.04269	0.6
283.02505	9.1
284.03268	13.8
285.04007	10.5
285.06772	0.2
286.04428	1.0
287.15100	0.4
311.07736	0.9
326.04599	0.4
431.07462	0.4
433.09537	2.2
434.09454	0.3
444.04813	0.9
446.08521	1.1
447.09067	0.6
459.07297	11.5
460.07657	1.7
595.14716	14.9
596.15021	3.4
621.12701	0.7
622.12476	0.3
625.24707	0.5
639.13403	0.6
639.33893	0.6
653.37610	0.3
696.84039	0.4
757.37500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.4
59.39605	0.2
65.47060	0.2
67.31020	0.2
70.27401	0.6
70.27792	0.5
71.01385	2.0
72.99319	4.3
73.02979	0.3
75.00881	41.4
76.01229	0.8
76.94904	0.2
87.00887	0.7
89.02456	4.2
93.03452	0.3
101.02455	0.3
113.01244	0.3
116.63267	0.2
117.01952	3.8
123.13869	0.2
132.02188	0.4
134.03764	0.7
135.03017	100.0
136.03331	2.3
137.02521	0.2
149.06219	0.2
151.00452	0.3
160.01695	1.0
161.02437	0.6
175.03989	0.5
193.05067	0.8
197.06281	0.2
223.06306	0.2
227.03410	0.3
255.03038	3.6
256.03732	1.9
269.04562	0.3
269.13849	0.2
283.02484	4.8
284.03281	9.6
285.04013	6.5
286.04434	0.4
287.15063	0.3
311.07803	0.5
400.05673	0.4
431.07870	0.7
433.09509	1.4
434.09235	0.3
444.04932	1.0
446.08575	0.9
447.09460	0.5
459.07269	13.8
460.07599	2.5
553.09204	0.2
595.14685	9.2
596.14990	2.2
621.12531	0.7
622.12390	0.4
655.30304	0.3
745.36243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.9
61.86954	3.1
65.13946	3.1
77.08215	3.7
81.31696	4.0
85.02964	4.9
88.98808	8.5
98.21708	8.8
119.05019	28.1
121.02992	7.4
129.01782	3.7
135.04514	4.1
149.02455	38.2
152.01208	3.7
158.03757	4.8
161.06105	4.4
163.04007	22.5
164.04805	45.7
165.05501	7.1
179.07153	16.6
191.05650	5.0
193.01443	5.2
208.03882	21.6
223.06120	100.0
224.06316	4.3
239.07353	5.0
251.07021	4.2
255.28584	3.6
277.05057	3.9
295.06168	13.3
303.38593	3.7
308.07117	4.3
309.07687	41.0
310.08337	34.0
313.10812	10.1
314.07501	4.3
324.10004	20.0
325.07202	20.7
325.10837	49.5
326.11172	7.6
339.08829	6.9
340.09631	14.1
343.11807	47.1
355.11905	81.1
356.12189	9.4
373.12903	28.3
385.11386	13.7
505.17099	25.7
506.17175	4.9
517.16864	22.3
535.18292	89.9
536.19110	19.4
612.44379	4.0
654.94818	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	757.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03434	1.2
58.00581	0.7
59.01136	0.8
59.01386	9.8
67.01907	0.9
68.59793	0.7
68.99805	1.1
71.01386	10.8
72.99323	4.1
73.02973	1.4
75.00875	11.8
81.03454	1.0
85.02962	12.7
87.00880	3.4
87.03442	0.6
89.02450	2.6
93.03481	1.2
95.01402	2.9
96.95995	0.9
98.22552	1.6
99.00887	6.1
101.02464	1.5
103.00379	1.8
109.02982	0.9
113.02466	14.2
115.00381	1.2
115.03268	0.7
117.01944	2.1
121.02969	54.5
122.03293	2.4
129.01869	1.0
131.03488	0.9
134.03717	1.0
135.04506	0.7
142.55177	0.6
159.37799	0.8
164.99838	0.8
165.05563	1.3
166.13652	0.6
175.02502	1.6
193.05106	1.7
231.05130	3.2
249.06184	35.7
250.06554	2.5
285.03989	2.0
286.04208	1.1
287.04495	1.1
353.08823	1.5
363.36606	0.7
371.09848	100.0
372.05807	1.2
372.10202	11.4
595.16193	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.0
59.01384	68.8
61.98818	10.7
68.11031	3.3
69.03457	4.1
69.06078	16.2
69.06512	14.6
71.01389	45.3
72.99315	5.4
73.02946	4.6
74.72040	3.2
75.00876	8.4
83.01401	6.3
83.05008	3.2
85.02950	24.1
86.98729	3.0
87.00904	6.8
89.02461	27.4
93.03455	10.1
98.21835	8.6
98.39188	2.9
99.00903	11.6
99.04547	5.1
101.02463	21.7
105.03597	3.7
113.02451	19.9
117.15387	4.1
119.03510	11.7
121.02955	12.5
122.03722	6.3
123.04467	4.6
125.02495	4.4
132.02190	3.9
133.02968	8.2
134.03773	9.6
135.03027	17.0
135.04562	17.0
137.02455	5.4
137.09737	16.4
143.03517	5.9
149.02449	41.5
149.06169	4.6
150.03258	32.7
151.04028	19.5
152.01160	9.7
160.01669	17.0
161.02470	68.4
161.04568	9.0
161.09848	4.0
162.02858	5.6
163.03992	9.2
163.07658	4.3
164.04817	28.1
165.01971	6.7
165.05559	17.2
169.05052	6.9
175.04028	23.4
176.04781	28.7
177.05479	4.0
179.03534	91.7
179.05534	10.0
179.06927	19.1
179.10815	8.6
180.04169	11.5
181.05072	5.2
181.08720	14.3
181.81485	3.4
191.05629	6.0
191.07143	12.1
193.01404	26.4
193.05049	5.5
194.05861	77.8
195.06595	25.6
197.11819	15.2
207.03035	7.3
208.03766	40.1
209.04248	5.3
209.08180	55.0
210.08557	5.2
222.05350	12.0
223.06129	63.8
223.09750	11.4
224.06560	5.9
237.07686	10.5
240.12608	3.3
241.10863	36.5
284.03348	4.1
285.04141	8.0
323.07407	25.4
337.09238	15.2
367.13892	4.3
385.16043	3.8
459.06943	5.2
547.20435	17.4
560.15161	9.3
561.16235	19.9
562.16522	4.7
704.69775	3.5
757.29443	100.0
758.29675	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08119	0.4
59.01382	3.0
59.43525	0.4
61.98817	1.7
63.02406	1.0
65.00319	0.7
70.80172	0.8
71.01392	2.3
73.02914	0.5
75.00869	1.1
75.28265	0.5
83.01371	1.4
85.02924	0.6
96.60968	0.5
101.02447	0.6
105.03384	0.5
107.01392	1.4
109.02914	0.7
111.00922	0.5
112.98802	0.8
113.02427	0.6
121.02922	0.5
127.00336	0.5
133.02957	3.9
149.02483	0.9
150.06862	1.4
151.00414	3.6
175.04041	1.7
179.10750	0.6
182.73825	0.4
199.04007	1.5
201.01956	0.7
212.04430	0.5
213.05559	0.6
217.05052	1.0
241.04944	0.5
255.03075	0.7
256.03802	1.7
257.04697	0.5
283.02444	0.6
284.03293	20.1
285.04065	100.0
286.01437	0.8
286.04398	9.7
431.10867	0.6
567.49036	0.5
602.35345	1.5
695.36957	0.9
713.40912	3.8
714.41577	0.6
730.36481	0.9
757.30811	32.1
758.31140	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	757.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01710	1.1
61.98819	0.8
65.61893	0.7
71.27525	0.7
73.15560	0.8
75.00866	1.5
88.53622	0.7
102.95693	2.3
103.00394	2.5
103.01507	63.0
108.03093	0.8
114.59810	0.8
142.71323	0.8
194.33395	0.8
237.13922	1.0
238.85352	0.7
248.66895	0.8
281.81729	0.8
384.43875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.9
58.00586	3.0
59.01384	97.3
61.98821	5.0
62.93830	1.3
69.17938	9.7
71.01389	77.6
72.01720	1.2
72.99328	7.3
73.02947	2.4
75.00852	1.5
83.01386	2.6
84.95400	1.2
85.02961	11.2
85.15137	1.2
87.00886	5.8
89.02455	100.0
90.02757	1.6
90.75030	1.1
95.01398	5.5
96.96007	3.2
98.22559	2.8
99.00883	1.5
101.02454	42.1
109.42570	1.3
113.02467	36.4
118.98095	1.6
119.03510	41.8
125.02458	1.6
128.60474	1.4
131.03505	5.5
139.00296	1.5
143.03516	11.2
149.04539	4.4
150.03181	1.4
151.04053	1.3
161.04584	16.7
164.04817	1.4
165.05542	1.8
179.05637	56.3
179.07205	3.0
180.04413	1.4
180.06000	2.2
221.06731	1.5
361.16614	1.6
373.12802	1.3
391.26398	1.5
393.28015	1.7
407.29553	7.3
423.29056	3.5
425.30551	2.3
433.15131	6.2
434.15317	1.6
451.28717	3.0
469.29102	1.3
473.33078	2.1
509.21689	2.0
517.31891	11.9
518.32019	3.7
535.32837	99.3
536.33142	23.1
557.24170	2.0
577.33807	1.9
757.35382	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	758.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
59.01383	11.7
60.99322	1.9
61.98838	100.0
69.16208	3.2
69.16634	1.5
71.01394	7.2
72.99319	0.6
73.02943	0.7
83.01391	0.8
83.05089	0.5
85.02960	2.5
87.00879	1.1
89.02438	5.2
98.21705	0.6
99.04568	0.6
101.02458	4.5
109.80798	0.6
113.02484	2.2
119.03560	1.8
125.98581	0.5
135.31813	0.5
149.02457	1.5
150.03223	1.2
162.03258	0.7
164.04851	0.8
165.05579	1.2
173.04552	0.6
175.03940	0.7
208.03841	2.5
223.06165	4.0
224.06577	0.8
250.33490	0.5
536.33374	0.6
562.16595	0.8
631.35168	0.9
633.35883	0.6
651.37469	1.6
677.35504	1.4
695.36542	79.3
696.36902	21.1
696.46295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74920	0.5
59.01384	66.4
60.01714	1.2
61.98821	0.6
88.39610	0.6
90.97153	1.1
98.22560	1.0
115.02567	2.3
117.00459	3.0
132.98204	2.5
157.03650	0.8
159.01514	24.0
160.01659	1.7
169.25601	0.5
174.99260	21.7
175.99661	0.5
192.95892	1.9
201.02562	10.8
202.02751	0.9
203.53049	0.5
217.00319	100.0
218.00665	2.9
227.65915	0.5
232.98273	0.7
233.53850	0.5
243.36452	0.6
248.96252	0.5
259.01480	0.7
274.99295	1.6
290.97144	1.1
292.96014	0.9
298.99454	0.8
301.02682	11.6
301.06165	0.6
302.02817	1.9
317.00436	19.5
318.00858	2.3
332.98294	5.9
334.68680	0.5
334.97113	0.7
359.01447	5.6
360.01880	0.7
374.94736	1.0
374.99268	13.1
375.99652	1.0
459.01529	3.5
460.01431	0.7
474.99402	7.9
475.99582	1.2
517.00494	0.8
541.00586	2.5
542.00873	1.0
556.98413	14.9
557.98419	4.1
616.99933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	15.4
64.61330	2.3
66.89543	2.2
71.01399	12.4
75.00856	12.4
84.26771	2.4
85.02952	15.6
86.03215	2.3
86.38563	2.1
87.00882	2.9
89.02444	4.3
95.01381	3.4
97.07970	2.3
99.00922	3.8
113.02457	15.2
121.02974	60.0
122.03312	5.9
124.21423	2.2
147.25182	2.2
175.03865	2.6
177.05600	8.1
189.04024	2.8
192.77893	2.4
209.04489	3.0
231.05153	4.1
249.06210	29.6
250.06671	5.6
339.52213	2.3
371.09857	100.0
371.98990	2.4
372.10159	23.9
373.10294	7.7
424.85815	2.6
726.41785	2.7
759.27386	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	759.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01385	83.5
61.98821	2.6
69.03452	1.4
69.08320	11.3
71.01392	14.5
73.02949	13.9
75.00871	11.2
83.01395	18.4
85.02954	3.3
89.02453	5.3
96.96008	2.3
98.21850	3.6
99.04525	2.9
101.02448	9.9
109.06590	2.1
113.02463	4.2
119.03511	1.7
125.02402	2.0
133.02968	1.6
134.03821	1.7
135.03029	23.3
139.40536	1.4
151.04031	7.6
154.99872	1.7
161.02464	36.7
161.04535	1.9
162.02969	2.9
165.05568	2.0
167.10785	4.2
176.04805	31.5
177.05446	2.2
179.03519	58.8
179.07034	1.8
180.04178	4.9
189.12961	1.7
191.05594	3.2
191.07132	14.4
194.05861	63.3
194.07649	3.2
195.06499	10.7
207.13986	2.1
209.08214	100.0
209.11839	6.8
210.08521	6.1
225.14969	7.4
227.12920	36.3
228.13210	1.7
233.11812	3.1
242.14993	1.5
251.12898	3.1
255.03178	1.8
269.13953	10.3
270.14371	1.6
285.04150	2.5
287.15027	27.4
288.15585	1.8
293.14044	2.1
309.86545	1.4
311.15002	2.8
329.16129	3.5
371.17065	5.1
405.17923	1.7
431.19257	24.3
432.19751	2.1
531.64178	1.6
549.21881	2.4
563.59589	1.6
641.28253	59.8
642.28693	12.8
759.30902	30.4
760.30975	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	759.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	3.9
59.01384	100.0
61.98840	2.8
69.19749	16.1
71.01389	18.6
72.66840	1.6
72.99319	2.0
73.02950	16.4
75.00880	17.7
83.01392	18.5
85.02966	4.3
87.00896	2.6
89.02453	6.2
96.96021	4.8
97.06581	2.2
98.22540	3.9
99.00935	2.7
99.04531	2.5
101.02461	15.2
109.06591	2.7
110.02376	2.0
113.02454	5.3
125.02428	2.9
133.02971	4.1
135.03033	29.0
135.04572	2.2
136.03313	2.6
151.04054	2.2
161.02464	70.0
162.03111	6.6
167.10768	5.9
176.04800	69.2
177.05438	6.3
179.03537	12.6
180.04283	3.2
191.05498	3.6
191.07158	47.2
192.07431	3.7
194.05806	11.4
195.06639	13.5
207.14000	3.0
209.08211	68.4
209.11647	8.8
210.08519	3.5
225.14963	7.6
227.12912	42.5
228.13242	4.1
233.11832	4.1
251.12906	7.0
269.13950	11.6
272.31049	1.7
282.63608	1.9
284.03177	3.6
285.03970	5.1
287.15033	29.7
288.15247	2.6
311.15112	3.5
329.16083	3.9
371.17133	4.8
431.19156	17.5
596.14331	2.5
597.15137	4.7
641.28174	72.8
642.28583	17.2
750.43164	2.0
759.30853	50.9
760.31012	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	759.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	2.5
61.98806	2.3
63.02385	0.8
65.00308	1.0
71.03585	1.0
75.00845	0.6
83.01404	0.7
89.02434	0.8
101.02487	0.7
107.01382	1.5
113.02449	0.9
133.02982	3.7
135.04558	0.6
149.02408	0.9
151.00385	3.6
156.09747	0.7
175.04008	2.0
199.03961	2.0
201.01906	0.7
217.05109	1.2
239.03529	0.9
255.02817	0.8
256.03830	1.6
284.03305	20.8
285.04068	100.0
286.04453	10.8
287.05359	0.6
327.05627	0.6
337.07492	0.7
454.39560	0.6
722.46808	1.4
723.48083	0.9
759.32397	35.2
760.32751	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	759.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53474	0.2
59.01389	2.1
60.01704	0.2
60.99314	17.0
61.98828	0.8
69.03456	0.2
71.01397	1.6
71.27615	0.3
71.27985	0.2
72.99300	0.2
73.02940	0.5
83.01394	0.5
85.02969	0.7
87.00874	0.5
88.00381	0.3
88.98817	100.0
89.02473	1.4
89.99151	1.2
96.96020	0.7
101.02473	1.0
113.02466	0.7
124.79196	0.2
133.01447	0.4
133.02904	0.2
135.03029	0.5
165.05547	0.3
191.05646	0.4
195.06706	0.3
263.07260	0.2
268.51675	0.2
285.04135	1.5
354.78662	0.2
377.25885	0.2
539.00970	0.3
567.44196	0.2
655.40833	0.8
669.40643	0.5
673.41779	0.4
715.42664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.1
61.98837	1.5
69.56641	1.6
71.01389	1.9
73.02926	0.5
74.33559	0.2
81.03450	0.3
82.95406	0.4
84.95134	0.8
85.02976	0.4
89.02460	0.9
93.03494	0.3
96.96010	0.5
99.04532	100.0
100.04874	3.2
101.02470	1.1
113.02431	0.4
119.03540	0.3
121.02956	0.4
123.04591	0.3
125.02450	0.8
136.84250	0.3
143.03499	0.3
146.03760	5.4
147.04413	0.4
149.02444	1.6
149.06114	0.3
150.03223	4.1
151.03981	0.4
151.05339	0.2
161.02516	0.3
161.04684	0.6
161.06104	1.7
164.04822	4.3
165.01901	1.3
165.05606	5.3
166.66530	0.3
169.04758	0.3
169.30447	0.3
179.03503	0.7
179.07166	7.2
180.04280	1.0
181.04955	0.3
191.05557	0.5
195.06642	6.0
196.07031	0.4
205.04974	0.3
217.28102	0.3
225.07739	0.7
261.09897	2.1
262.10059	0.3
300.96606	0.3
303.10913	4.1
304.10925	0.3
327.08633	0.5
343.11786	0.4
357.13412	0.9
373.13043	2.3
374.13239	0.7
421.15115	3.7
422.15884	0.3
437.52292	0.4
553.20593	0.5
601.23114	0.5
602.23792	0.3
624.01996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76873	1.1
55.01857	1.3
57.03444	1.8
59.01389	60.0
60.99315	1.1
61.98835	1.2
67.01880	1.1
67.79976	1.2
71.01388	11.3
72.23914	1.0
72.99298	1.3
73.02959	10.6
75.00874	5.5
81.03448	1.2
83.01387	9.6
85.02962	3.9
87.00876	3.0
89.02465	4.5
93.03466	10.8
99.04508	5.2
101.02457	8.6
111.04515	1.9
113.02467	3.0
118.07207	1.1
119.03477	1.2
121.02964	3.4
122.03763	8.5
123.04510	1.5
125.02523	1.3
134.03772	2.3
135.03012	10.4
146.03772	2.1
149.02475	2.8
150.03246	70.6
151.04034	5.6
164.04816	1.9
165.01917	2.5
165.05589	100.0
165.12863	1.2
166.05934	7.2
167.10843	2.7
173.04604	3.9
179.07143	2.2
180.04352	2.0
189.12819	1.1
191.05627	11.8
192.04384	1.6
193.05124	3.1
195.06592	5.7
207.06735	3.0
207.13968	2.3
209.08276	1.6
209.11893	3.6
213.07756	2.1
225.07753	3.1
225.15004	4.5
227.12910	21.0
228.13245	1.8
233.11792	1.4
251.12952	3.2
269.13977	4.3
275.13220	1.1
278.41217	1.0
287.15033	7.8
337.07880	4.4
343.12405	1.4
373.12784	1.1
377.18176	1.5
405.17801	1.3
413.18353	1.3
431.19156	5.1
441.69144	1.2
502.95361	1.3
536.54724	1.1
627.27014	1.5
645.27692	54.5
646.28040	14.9
763.30231	40.8
764.30420	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	763.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32034	13.8
59.01374	35.5
61.98841	100.0
62.87279	15.0
64.18986	14.5
71.01370	22.3
71.26818	19.2
81.77740	15.3
88.98901	20.1
142.75060	14.0
150.03146	18.4
176.41887	15.0
191.87239	22.9
223.50398	14.4
247.33928	17.0
285.04010	16.5
763.37354	83.2
764.36646	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03442	1.5
58.00595	3.0
59.01387	54.7
60.01712	0.9
61.98836	2.6
70.01008	0.6
71.01389	38.6
72.01743	0.7
72.99317	4.2
73.02958	2.9
73.49184	0.5
75.00864	0.8
83.01395	3.4
84.67739	0.6
85.02955	10.5
87.00874	2.0
88.04195	0.6
89.02457	26.5
95.01395	3.6
95.33775	0.5
96.96013	1.5
99.00909	1.6
101.02452	19.7
102.02801	0.8
112.98877	0.6
113.02470	13.3
115.07657	1.7
119.03523	9.6
129.96768	0.5
131.03487	0.8
143.03514	1.2
150.03246	0.7
156.10342	1.2
158.11861	3.2
161.04558	1.3
165.12915	1.1
179.05687	2.4
195.06575	0.9
209.11777	1.0
219.17514	1.0
227.12860	0.7
285.04114	1.2
337.07721	0.8
338.86444	0.5
584.34692	2.0
764.40790	100.0
765.41138	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03427	2.3
57.94144	0.5
58.00604	3.4
59.01384	53.2
60.01695	0.9
71.01389	41.0
72.01704	0.8
72.99326	3.9
73.02953	4.3
75.00842	1.0
83.01408	4.6
84.91478	0.5
85.02959	11.6
87.00877	2.7
89.02456	27.5
92.80114	0.5
95.01392	4.5
96.96007	1.2
97.06552	0.6
98.22591	0.9
99.00870	1.7
101.02456	24.0
102.02772	1.0
113.02462	14.6
115.07643	2.2
115.77744	0.6
119.03510	8.2
125.02460	0.7
131.03490	0.9
143.03535	0.6
149.04497	0.7
156.10320	1.5
158.11885	7.2
161.04550	2.5
165.12886	4.9
168.13794	0.5
171.80922	0.5
179.05566	1.6
209.11850	1.2
219.17528	5.0
221.15523	0.7
262.21701	1.1
263.20190	1.3
320.17078	0.7
337.07776	0.7
352.82828	0.6
486.27490	0.8
522.56323	0.6
547.21783	0.7
571.33234	0.6
584.34454	100.0
585.34723	20.4
764.40753	46.1
765.26532	3.4
765.41071	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	764.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
56.58397	1.3
58.00595	1.8
59.01385	53.7
61.48595	1.5
61.98835	4.1
63.58787	1.2
71.00992	2.5
71.01389	44.0
71.27026	1.6
72.99302	5.7
73.02944	3.9
78.73848	1.5
83.01396	3.8
83.70364	1.2
85.02960	11.8
87.00858	2.2
89.02452	25.7
95.01401	3.4
95.05030	2.3
96.96008	1.4
101.02455	24.5
113.02463	15.5
119.03520	8.1
135.81329	1.2
139.04033	8.0
140.10815	1.5
147.28214	1.3
156.10286	2.2
158.10556	1.2
158.11876	5.5
161.04570	2.2
165.12860	6.7
165.98268	1.4
179.05733	1.7
188.67090	1.4
219.17532	4.2
262.22107	1.6
263.20248	2.0
337.07739	1.5
346.13779	1.8
366.06088	1.5
486.27017	2.6
584.34454	100.0
585.34717	26.8
612.22498	1.8
736.51141	1.6
761.49054	1.4
764.40778	47.0
764.54370	3.3
765.41254	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	765.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01387	4.2
60.02672	0.3
61.39964	0.3
62.32442	0.3
63.01493	0.3
65.00324	1.2
65.68052	0.3
69.09659	3.0
71.01374	1.4
73.02966	0.4
73.66954	0.3
75.00865	0.4
83.01389	0.9
85.02944	0.5
89.02453	0.6
96.96049	0.6
98.22591	0.5
101.02462	0.9
103.04029	7.4
107.01385	2.1
113.02464	0.6
121.02954	0.7
132.02199	0.3
133.02977	13.7
134.03354	0.5
135.03055	0.8
149.02464	2.0
151.00368	4.8
171.04456	0.5
175.04039	3.1
185.06081	0.5
197.06213	0.3
198.03249	0.4
199.04031	2.3
201.01935	1.1
213.05595	0.3
214.02510	0.4
215.03487	0.4
217.05055	1.2
241.05190	0.7
244.66284	0.3
257.04337	0.5
277.05756	0.6
285.04080	100.0
286.04422	12.0
306.44647	0.4
325.40756	0.4
533.29529	0.4
554.27740	0.4
562.46899	0.4
765.31567	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	765.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01145	0.6
59.01387	8.0
59.29562	0.5
60.32987	0.5
61.98828	2.6
65.00334	1.2
71.01379	3.4
72.99315	0.8
73.02943	1.3
75.00874	1.3
83.01389	2.3
85.02940	2.3
87.00880	1.5
87.04523	4.9
89.02438	1.9
93.03487	0.8
96.96036	3.2
99.00966	0.7
101.02438	2.0
103.04031	2.6
107.01390	2.1
113.02461	1.6
119.03536	1.0
120.66361	0.6
133.01987	0.5
133.02971	12.4
135.03008	1.6
136.01740	0.6
147.03018	1.0
149.02451	2.6
151.00400	4.5
175.03995	3.1
199.04004	2.3
201.02043	0.9
217.05037	1.2
240.73769	0.6
243.02853	0.9
255.02954	2.1
272.80075	0.7
283.02463	1.6
285.04074	100.0
286.04449	10.4
337.07813	2.5
493.46222	0.7
721.36914	0.9
732.80743	0.7
765.25873	2.8
765.40491	1.9
766.26740	1.1
766.40955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99318	16.9
65.58013	2.1
88.98817	100.0
89.02478	3.5
90.35123	2.7
152.78091	2.0
228.84650	2.8
458.38882	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	17.5
64.53929	0.8
66.07525	0.7
87.00868	1.0
88.00417	1.5
88.98817	100.0
89.02464	8.5
89.99152	1.1
103.92058	1.0
114.94829	0.9
121.78428	0.8
134.39418	0.7
136.29402	1.0
137.19843	0.7
148.90981	0.9
165.97986	0.8
219.57504	0.8
279.73880	0.8
620.41461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
60.99312	19.2
69.15257	1.3
69.15678	1.6
71.01390	1.1
85.00455	0.9
85.02955	0.7
88.98817	100.0
89.02463	0.4
89.99149	1.4
99.04530	29.7
100.04861	0.6
101.02470	0.4
110.69762	0.4
123.04535	0.4
127.37804	0.3
150.03220	0.4
161.04556	0.9
165.01924	0.5
180.04207	0.4
191.05659	2.2
209.04596	0.9
215.70770	0.4
259.59946	0.4
261.09808	8.8
262.10226	0.8
644.30322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.371
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99314	17.4
87.00871	1.1
88.98817	100.0
89.02454	7.7
89.99194	1.0
94.49121	0.6
98.21675	0.9
99.57314	0.6
103.92056	0.6
148.91000	1.1
160.12166	0.5
217.73694	0.6
228.77075	0.6
413.85333	0.7
767.26880	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	767.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
60.99314	16.7
62.13341	0.2
70.19007	0.8
71.01383	0.5
80.41126	0.2
87.00883	1.0
88.00408	0.8
88.01196	0.3
88.98817	100.0
89.02454	3.9
89.99146	1.4
127.56839	0.2
139.40907	0.2
186.74155	0.2
321.34479	0.2
357.17245	0.2
426.79211	0.2
433.10730	0.2
463.53360	0.2
502.24664	0.2
677.49701	0.6
678.50073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
57.03439	2.6
59.01384	41.5
60.01724	1.5
68.99821	3.0
70.82832	2.9
71.01392	24.4
72.99308	3.1
73.02956	7.6
75.00854	2.3
83.01390	4.9
85.02969	10.8
87.00892	6.4
88.98795	2.7
89.02458	11.9
93.03457	1.7
95.01408	3.5
97.02961	1.4
99.00891	5.7
101.02457	13.7
109.02950	2.0
111.00897	3.0
112.98830	2.6
113.02477	13.5
113.99606	6.3
115.00372	4.6
116.92886	2.6
119.03506	4.5
125.02496	2.1
127.00415	3.9
129.01964	3.0
135.04546	1.9
139.00378	1.9
139.11279	11.2
144.32373	1.3
145.01447	5.9
147.43025	1.3
154.99924	8.8
157.01468	3.1
161.04515	2.9
173.04541	1.6
179.05614	1.8
181.12373	7.0
183.10321	13.4
191.05690	5.8
199.13428	1.6
225.11349	4.5
227.12987	1.6
243.12389	17.8
255.03198	1.6
269.04504	5.1
272.01865	1.5
277.05685	9.5
285.13565	1.9
287.15015	1.7
319.06525	1.9
337.07773	3.0
503.31992	2.6
505.64172	1.7
509.55972	1.5
521.33911	2.0
563.19843	100.0
564.20178	15.6
605.20911	10.2
606.20978	3.4
651.31866	2.2
665.37543	22.5
666.37817	4.4
683.38885	14.0
684.39117	2.8
725.39935	7.2
726.39441	2.5
751.22827	4.9
769.33380	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.4
57.03452	6.1
57.03707	1.0
58.00597	3.1
58.00880	1.1
59.01386	100.0
69.03466	1.3
69.23502	8.8
71.01390	62.3
71.05004	1.6
72.99327	4.3
73.02958	8.9
82.56499	1.2
83.01395	7.5
85.02956	24.1
87.00903	6.0
88.98811	1.7
89.02458	38.0
95.01417	5.5
97.02977	1.9
99.00899	3.4
101.02454	34.3
113.02468	28.7
119.03518	13.5
125.02467	3.6
131.03514	1.3
143.03499	4.9
143.10892	1.3
149.38959	1.2
159.02986	2.6
161.04616	5.9
177.02036	1.1
179.05678	4.1
191.05592	2.2
194.60133	1.2
257.21191	2.7
263.11456	1.9
323.26334	1.3
457.17007	1.4
459.06995	2.1
485.31436	2.2
503.32028	6.1
504.32596	2.0
521.33478	5.7
665.37592	83.6
666.37958	18.3
683.38629	58.3
683.50549	2.7
684.39410	9.5
725.39752	33.2
726.40179	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	770.304
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40105	0.6
61.12965	0.6
61.98835	8.5
63.02396	0.8
69.17512	3.9
69.17915	1.4
72.53986	0.6
76.54462	0.7
83.01393	0.8
106.07275	0.8
106.65397	0.9
107.01419	3.1
108.57009	0.6
109.02924	0.8
114.12246	0.6
129.07097	0.7
133.02962	5.9
149.02432	1.0
151.00369	4.4
154.28239	0.7
175.04013	2.4
199.03992	2.3
211.04071	1.6
214.35886	0.8
217.05043	1.0
227.03589	1.5
255.02934	1.0
256.03714	3.8
284.03296	52.3
285.04062	100.0
286.04419	8.8
327.05042	0.8
551.27350	0.8
607.42914	0.7
707.30798	83.1
708.31122	27.0
758.72675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	85.8
61.98832	12.5
65.34201	2.8
67.62410	3.0
71.01398	21.5
73.57032	3.0
82.88314	3.4
83.01439	3.0
85.02962	14.2
89.02473	5.1
93.40462	3.4
101.02474	10.1
113.02482	11.7
128.84978	3.3
161.04553	4.0
206.50203	3.1
227.41396	3.5
250.18202	3.3
269.43295	3.1
285.04077	10.3
331.78085	3.4
445.29672	8.7
463.30591	7.8
481.31723	5.4
548.82434	3.7
589.33679	13.9
590.34583	4.4
607.35028	100.0
608.35199	26.0
625.36023	48.1
626.36243	18.1
667.37036	32.0
668.37189	11.2
685.38318	12.7
727.39240	6.0
728.39575	3.3
771.40668	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	771.1787
Annotation	Kaempferol 3-(6'''-caffeylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01382	2.4
63.02401	0.6
65.00356	0.7
65.06632	0.5
66.50999	0.5
69.47849	0.5
69.90762	0.5
70.21564	1.1
70.21949	1.3
73.02937	0.5
85.02966	1.9
85.75127	0.5
88.12859	0.6
89.02441	0.8
93.03470	0.5
97.57769	0.5
101.02460	2.5
107.01402	1.2
109.03017	0.6
129.01965	7.3
133.02969	2.3
134.03793	2.7
135.03021	0.5
147.03032	0.6
149.02510	0.8
151.00372	2.9
175.04010	1.2
191.05496	0.7
193.05052	4.1
199.03979	1.6
211.03979	0.7
227.03619	0.7
241.05138	0.7
243.31177	0.5
256.03827	2.5
257.04318	0.6
283.02621	0.8
284.03290	42.7
285.04065	93.4
286.04459	8.6
287.15021	0.6
307.08661	0.5
323.07806	0.8
327.05237	1.6
447.09363	100.0
448.09674	15.3
561.95996	0.6
649.97394	0.6
669.11493	0.6
771.35602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1792
Annotation	Luteolin 7-glucosyl-(1->6)-(4'''-caffeoylglucoside)
Peak:m/z	Relative Intensity
55.01889	0.9
57.03459	0.7
58.78320	0.5
59.01389	10.8
61.98841	3.8
63.02412	0.6
65.00356	0.7
67.12247	0.4
67.62348	0.3
68.13923	0.4
68.30752	0.4
69.03448	0.5
69.93806	1.3
71.01392	7.1
72.99319	1.0
73.02956	1.4
74.89559	0.4
75.00890	0.8
79.59290	0.4
83.01393	2.0
85.02959	3.0
87.00894	1.0
88.98820	0.8
89.02443	3.1
93.03512	0.8
93.13240	0.4
95.01399	0.7
96.96010	0.3
99.00897	1.1
99.04516	0.7
101.02453	4.0
107.01402	0.6
109.02966	0.7
111.00900	0.4
113.02467	3.4
119.03518	1.1
121.02994	1.1
124.01791	0.4
125.02500	0.4
131.03516	0.9
133.02963	2.8
134.03661	0.4
135.03035	0.4
135.04567	2.3
143.03535	0.5
149.02475	0.5
149.04570	2.0
149.06110	0.4
150.03258	0.6
151.00374	2.7
159.04552	0.5
161.02498	4.5
161.04604	1.2
162.02725	0.5
165.05548	0.5
175.04065	0.6
177.01968	0.5
177.05528	0.5
179.03473	0.7
179.05707	0.4
181.05115	1.3
183.04565	1.4
187.03987	0.5
191.05653	0.4
199.04099	1.1
201.01878	0.5
217.05006	0.6
223.06090	1.2
227.03630	0.8
235.08276	1.1
253.09265	3.7
255.03020	100.0
256.03397	10.8
283.02518	63.7
284.03055	11.3
285.04080	32.9
285.07410	0.7
286.04486	2.5
287.22284	2.6
296.03195	0.7
323.07782	0.6
325.09512	0.6
431.26303	2.7
447.09277	0.5
449.27579	5.6
450.27933	0.8
459.07089	0.8
465.07999	0.5
487.14487	0.5
491.28967	2.1
492.28604	0.5
507.09476	2.2
523.34631	0.5
549.10144	0.4
609.12537	32.9
610.12860	8.0
611.14270	0.6
656.88068	0.4
667.39105	5.0
668.38550	0.7
685.40216	3.0
686.39380	0.5
691.96851	0.5
727.40247	1.6
753.98975	0.5
771.17841	11.8
771.38757	2.0
772.18103	3.3
772.39044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01094	0.6
59.01383	10.1
60.99316	0.4
61.98838	3.2
63.02399	0.9
63.13985	0.3
63.14315	0.3
65.00343	0.8
65.83725	0.3
69.03449	0.4
71.01389	7.8
72.99312	0.6
73.02957	1.9
75.00871	0.7
83.01402	1.2
85.02956	2.8
87.00878	0.9
88.98811	1.1
89.02453	3.3
93.03457	0.5
95.01397	0.7
96.95937	0.3
97.02997	0.3
98.21822	0.9
99.00895	1.3
101.02453	3.4
103.00405	0.5
103.01494	0.6
107.01396	1.5
109.02924	0.4
111.00870	0.8
113.02458	3.2
119.03510	1.1
121.02962	0.7
123.03392	0.4
125.02425	0.4
129.01965	0.4
133.02969	3.3
135.04518	2.1
137.02492	0.6
143.03497	0.7
145.01465	0.5
145.02901	0.5
146.94574	0.3
149.02480	0.7
149.04591	2.2
149.05653	0.4
151.00336	2.4
155.05046	0.5
159.02962	0.4
159.04553	0.4
161.02496	3.8
161.04556	1.1
171.04475	0.3
175.03996	1.1
177.01779	0.4
179.03517	1.2
179.05553	0.4
181.05043	0.9
183.04561	1.6
185.02435	0.9
187.04060	0.6
191.05704	0.3
199.03940	1.0
210.79930	0.4
211.03987	0.7
213.93463	0.3
217.05016	0.7
221.04514	0.6
221.47855	0.3
223.06140	0.7
227.03560	1.3
235.08292	0.7
239.03503	0.3
253.09319	2.9
255.03009	100.0
256.03406	10.7
268.03732	0.5
269.04388	0.4
283.02509	58.7
284.03061	11.3
285.04074	31.4
286.04413	2.8
287.22308	1.5
295.10458	0.5
297.04257	0.4
323.07803	0.5
325.09015	0.3
431.26645	2.2
449.27557	4.1
450.28009	0.8
487.14804	0.6
491.28537	1.8
505.34470	0.5
507.09442	2.4
523.34576	0.5
549.10187	0.5
591.12018	0.5
595.15375	0.3
609.12512	34.0
610.12823	7.7
653.33154	0.4
667.39038	6.1
668.39435	1.2
685.40167	4.2
686.39886	0.9
727.41345	2.1
728.40228	0.5
771.17877	10.4
771.39240	1.8
772.18469	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	771.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
63.02404	0.6
65.00336	0.6
65.03844	0.5
71.01376	1.4
71.28214	0.6
75.36770	0.4
81.40723	0.5
85.02968	0.6
89.02452	0.5
101.02442	0.9
107.01443	0.8
109.02946	0.7
109.16502	0.5
113.02423	0.7
119.05065	0.6
121.02934	1.0
131.03505	0.8
133.02980	4.2
134.03752	1.6
138.05688	0.6
149.02435	1.5
150.03270	0.7
151.00395	3.0
165.03693	0.5
165.41795	0.4
175.03963	1.2
191.05617	1.2
193.05038	2.5
199.04037	1.2
201.02000	0.6
217.04964	0.8
241.05052	0.7
243.02919	0.6
249.06061	0.6
255.02994	0.8
256.03598	0.8
278.65225	0.5
284.03311	13.2
285.04071	100.0
286.04391	9.8
327.05112	0.5
332.19092	0.5
371.09796	1.2
447.09396	5.4
448.09872	1.1
490.02957	0.5
609.14642	41.9
610.14984	8.8
624.11676	1.2
771.19763	4.4
772.20203	1.4
794.02344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.58848	0.9
69.18243	7.0
71.01375	1.4
88.98808	1.0
107.01420	2.2
107.61438	0.8
109.02974	1.7
109.64336	0.9
133.02945	1.0
134.03809	1.8
147.04526	1.6
151.00397	9.0
165.05603	3.8
175.00357	1.2
178.99852	2.7
179.07184	1.0
193.05103	3.1
196.96259	0.8
199.04056	3.0
227.03528	2.7
243.03011	5.8
255.02975	6.1
267.53424	0.9
271.02509	68.5
272.02872	7.5
285.03976	1.5
299.01999	100.0
300.02652	39.2
301.03525	42.4
302.03979	4.3
343.04681	1.5
361.16733	2.9
384.44095	1.0
462.08105	11.8
463.08548	8.3
487.57770	1.0
609.14636	39.8
610.14771	7.1
771.19946	59.5
772.20197	17.2
791.21893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
59.01384	28.8
63.56585	1.8
71.01392	20.1
71.27184	4.7
72.99304	4.3
73.02953	4.5
75.00879	14.3
85.02965	25.3
86.56867	2.3
87.00876	9.5
89.02462	6.1
91.04015	2.2
91.05540	11.5
93.03495	2.8
95.01394	3.6
99.00887	7.0
101.02448	5.5
103.00409	3.3
111.00836	2.2
113.02472	26.5
116.00728	2.1
121.02968	24.5
123.03268	5.0
123.70425	2.3
128.41914	2.2
129.01994	3.5
135.02992	2.9
135.04570	3.1
138.05627	64.2
150.03214	2.0
151.00375	2.0
161.04562	3.5
165.05548	2.4
179.10823	10.5
191.05655	4.9
195.06599	1.9
205.12373	8.5
249.06189	20.8
263.07721	5.1
266.05853	1.9
267.07272	56.6
268.07587	2.7
282.09882	3.0
285.04083	21.2
286.04367	3.3
341.12350	2.6
361.16565	4.7
385.11450	100.0
386.11819	15.1
405.18198	2.2
505.20792	8.3
523.21899	4.9
565.22791	4.4
609.13953	3.2
677.91284	2.5
753.69678	2.3
771.18835	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	0.4
68.96918	2.3
71.01387	0.5
85.02959	0.3
89.02489	0.4
92.31529	0.2
93.03508	0.9
101.02550	0.2
109.02988	0.3
113.02507	0.4
121.02960	3.3
132.81119	0.2
134.03758	0.3
135.04549	2.6
137.02481	0.8
144.47380	0.2
147.04544	0.3
149.02457	26.8
150.02779	1.2
151.04053	0.6
152.01167	5.7
152.02390	0.3
153.01584	0.3
163.04034	5.1
164.04810	23.1
165.01967	1.3
165.05130	1.7
167.03529	1.0
169.05063	2.8
177.05687	0.4
179.07158	9.2
180.04312	0.3
180.07494	0.5
193.01434	13.5
194.01805	0.6
207.03123	0.2
208.03789	34.2
209.04143	2.2
223.06134	100.0
224.06458	7.6
265.07227	0.4
285.03973	0.3
288.27985	0.2
385.11432	20.9
386.11716	2.7
636.77667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.6
57.03452	4.4
58.00605	3.1
59.01387	100.0
59.23713	1.6
61.98833	4.1
69.03465	2.7
69.05636	6.9
69.06065	6.2
71.01390	65.6
72.99313	4.7
73.02960	16.2
75.00865	6.6
75.72974	1.5
81.03478	1.6
83.01395	6.8
85.02954	25.0
87.00890	6.2
88.98834	2.2
89.02457	37.3
93.03398	1.4
95.01422	6.2
96.51464	1.5
97.02957	2.2
99.00890	3.3
101.02457	33.2
111.00902	2.0
113.02464	29.2
119.03524	13.5
125.02473	4.4
131.03525	2.5
143.03481	3.0
149.02522	1.5
149.04555	15.2
151.00375	2.5
161.04561	4.9
174.10811	1.5
179.05630	4.0
191.05676	2.4
255.03229	1.6
256.03723	2.2
269.04797	1.8
283.02460	1.5
284.03293	3.7
285.04099	6.5
299.25827	2.0
315.25336	2.4
361.29541	5.3
362.29916	1.7
415.76498	1.7
448.16422	1.6
459.07120	2.7
505.33823	10.4
523.34869	6.3
524.35638	2.3
593.31024	1.8
595.14673	2.0
642.69788	1.5
667.39185	94.1
668.39337	25.2
675.61047	1.8
685.40204	41.0
686.40533	11.9
727.41425	24.5
728.41602	6.9
771.34674	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	773.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25677	0.9
57.18475	1.0
59.01388	16.1
61.30766	0.9
64.22816	1.1
65.00330	11.2
69.58997	4.5
71.01395	8.3
78.05981	1.1
83.01399	5.2
85.02956	2.4
87.00891	1.9
89.02467	6.4
90.59907	0.9
93.03445	1.6
95.01414	1.0
98.21851	1.5
101.02473	5.2
104.13799	1.1
107.01411	16.0
109.02906	1.3
113.02489	3.6
119.03508	2.4
125.02470	4.6
134.03781	4.0
135.04544	65.6
136.04890	2.7
151.00386	70.1
152.00758	3.0
159.04662	1.3
161.02388	1.7
164.01167	1.8
165.01967	1.5
170.49529	1.1
171.25569	1.0
175.00397	2.0
179.03511	2.9
191.04063	1.2
191.05608	8.1
196.00027	1.3
199.04005	1.7
227.12755	1.2
243.06596	1.2
243.71950	0.8
285.04175	3.9
286.04553	1.6
287.05673	6.7
297.09927	1.7
308.57721	1.0
337.09311	1.5
387.16779	6.1
401.24634	1.0
431.09671	2.6
449.10895	2.7
459.15387	2.8
611.16223	100.0
612.16571	20.3
656.33972	1.0
722.42682	1.0
748.86127	1.0
773.20752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	16.4
63.02398	1.0
63.72523	0.7
64.51743	0.9
64.98936	0.7
65.00328	10.5
71.01388	7.7
76.68075	0.8
83.01392	4.7
85.02973	2.8
87.00831	0.8
89.02455	6.1
101.02462	5.8
107.01404	16.4
109.02983	1.0
113.02458	2.9
119.03520	2.8
125.02494	4.3
128.73138	0.9
133.02930	0.7
134.03728	3.1
135.04544	67.9
136.01617	1.2
136.04878	3.2
151.00385	68.1
152.00755	3.3
159.04546	1.3
161.02454	1.8
161.04524	0.8
163.04056	0.9
164.01181	2.1
165.01872	1.0
174.03223	1.7
175.00456	1.5
177.01907	1.5
179.03462	1.0
179.05588	0.9
182.34648	0.9
191.05641	6.4
199.03947	1.5
201.02028	1.0
267.02835	0.8
285.03995	2.8
286.04501	2.3
287.05670	6.1
287.15131	1.2
297.09836	1.0
387.16568	4.9
413.44305	0.9
431.09799	3.1
449.10788	1.8
459.15076	2.7
611.16187	100.0
612.16595	18.3
612.26343	1.4
635.16034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91269	1.4
56.82323	1.4
57.03451	4.0
59.01384	49.2
61.98841	5.7
71.01385	24.7
72.99324	2.7
73.02954	10.9
75.00885	6.8
83.01389	13.4
85.02953	10.2
87.00907	4.0
87.04501	1.4
88.98854	1.6
89.02457	11.5
93.03480	2.1
97.02956	2.6
99.00902	2.3
101.02441	13.9
109.02964	1.7
112.98859	2.7
113.02444	12.0
119.03516	3.9
121.02952	6.6
125.02444	3.5
129.01994	2.2
131.03537	6.2
131.19191	1.7
133.02988	5.3
135.02986	8.6
135.04539	7.0
138.03220	2.1
143.03508	4.3
145.01466	2.2
145.71474	1.5
147.70367	1.5
149.02458	29.4
149.04503	1.8
150.03174	2.9
151.00372	5.9
151.04070	1.9
152.01183	9.5
154.99965	1.8
163.04054	7.4
164.04813	21.4
165.01991	3.3
165.36209	1.6
167.03503	2.0
168.04309	2.4
169.05092	3.0
175.03882	2.1
176.01219	2.3
177.02045	2.1
179.05740	2.5
179.07158	7.6
187.36232	1.4
191.03603	1.5
191.05626	2.0
193.01447	23.8
194.01677	2.0
197.53270	1.4
208.03784	50.7
209.04314	4.4
209.11824	1.8
223.06129	100.0
224.06496	6.4
225.15068	2.4
227.12900	13.3
228.13298	1.8
239.03595	3.3
263.07779	1.9
269.14014	5.7
285.04187	4.1
287.14978	14.7
288.15433	2.5
337.07867	2.1
377.27628	1.7
391.04633	13.7
392.05014	3.6
405.17834	3.9
417.06406	3.8
431.19324	13.4
432.19501	3.4
433.05508	3.4
469.15625	13.5
470.15961	1.8
541.17767	1.8
549.22009	6.0
569.07410	10.9
570.07245	2.2
618.34656	2.1
655.26239	19.7
656.26685	3.9
773.13519	16.0
773.28870	17.5
773.83618	3.3
774.13751	8.5
774.28625	5.2
793.46277	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	773.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91269	1.4
56.82323	1.4
57.03451	4.0
59.01384	49.2
61.98841	5.7
71.01385	24.7
72.99324	2.7
73.02954	10.9
75.00885	6.8
83.01389	13.4
85.02953	10.2
87.00907	4.0
87.04501	1.4
88.98854	1.6
89.02457	11.5
93.03480	2.1
97.02956	2.6
99.00902	2.3
101.02441	13.9
109.02964	1.7
112.98859	2.7
113.02444	12.0
119.03516	3.9
121.02952	6.6
125.02444	3.5
129.01994	2.2
131.03537	6.2
131.19191	1.7
133.02988	5.3
135.02986	8.6
135.04539	7.0
138.03220	2.1
143.03508	4.3
145.01466	2.2
145.71474	1.5
147.70367	1.5
149.02458	29.4
149.04503	1.8
150.03174	2.9
151.00372	5.9
151.04070	1.9
152.01183	9.5
154.99965	1.8
163.04054	7.4
164.04813	21.4
165.01991	3.3
165.36209	1.6
167.03503	2.0
168.04309	2.4
169.05092	3.0
175.03882	2.1
176.01219	2.3
177.02045	2.1
179.05740	2.5
179.07158	7.6
187.36232	1.4
191.03603	1.5
191.05626	2.0
193.01447	23.8
194.01677	2.0
197.53270	1.4
208.03784	50.7
209.04314	4.4
209.11824	1.8
223.06129	100.0
224.06496	6.4
225.15068	2.4
227.12900	13.3
228.13298	1.8
239.03595	3.3
263.07779	1.9
269.14014	5.7
285.04187	4.1
287.14978	14.7
288.15433	2.5
337.07867	2.1
377.27628	1.7
391.04633	13.7
392.05014	3.6
405.17834	3.9
417.06406	3.8
431.19324	13.4
432.19501	3.4
433.05508	3.4
469.15625	13.5
470.15961	1.8
541.17767	1.8
549.22009	6.0
569.07410	10.9
570.07245	2.2
618.34656	2.1
655.26239	19.7
656.26685	3.9
773.13519	16.0
773.28870	17.5
773.83618	3.3
774.13751	8.5
774.28625	5.2
793.46277	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	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14655	1.0
61.52279	1.0
61.98834	1.0
70.22156	1.2
73.55109	0.9
78.95903	6.5
79.95738	4.4
94.92483	1.7
96.92242	2.0
96.96023	100.0
96.96920	9.2
133.70422	0.9
137.29289	1.1
163.92039	1.1
184.16063	1.3
249.45827	0.9
253.39441	1.0
277.02585	1.1
388.76340	1.0
421.12402	1.0
488.17929	1.1
535.95532	1.1
629.92163	1.1
713.30707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98839	2.0
71.01385	1.2
75.83601	0.3
78.68358	0.3
78.95918	4.2
79.95750	3.6
90.95367	0.3
92.83236	0.3
94.92530	0.7
96.92214	1.1
96.96024	100.0
96.96915	5.2
98.21788	1.1
101.05293	0.3
126.80476	0.3
141.33640	0.3
154.62033	0.3
158.88692	0.3
210.99553	0.3
277.21976	0.6
301.56012	0.4
332.49527	0.3
361.04791	0.5
380.63477	0.3
380.68948	0.3
397.13547	0.6
407.17694	0.4
418.46558	0.3
435.08322	0.7
453.09412	2.3
454.09906	0.4
486.23126	0.3
713.30585	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	1.0
59.01388	12.7
65.00311	1.6
70.39231	1.7
70.39629	2.4
71.01387	5.0
74.37679	0.9
76.53667	0.9
83.01387	1.5
85.02946	2.5
85.50091	0.9
89.02451	3.3
93.03450	1.5
101.02415	2.7
107.01395	3.3
113.02493	2.5
119.03487	1.1
121.02989	4.4
122.03324	2.2
135.04544	11.2
136.04832	1.6
137.02492	1.0
140.07198	19.9
149.02460	31.0
150.02786	11.2
150.99202	1.8
151.00385	17.2
151.02925	3.4
151.04051	1.1
152.01178	6.8
153.01518	1.4
163.04050	4.6
164.04808	24.9
165.01935	2.2
165.05156	7.8
166.05296	2.5
169.05113	2.6
179.05685	1.6
179.07129	10.9
180.07455	4.3
181.07631	1.2
193.01454	14.9
194.01839	4.3
195.01967	3.0
207.10289	2.2
208.03792	40.3
208.05769	1.9
209.04126	16.7
210.04318	10.4
223.06137	100.0
224.06477	51.1
225.06680	22.2
267.07156	4.5
285.03723	1.3
287.05408	2.0
385.11450	15.6
386.11716	13.0
387.11880	10.5
387.16635	22.4
388.16998	2.3
515.39429	1.2
611.16284	9.2
612.17163	1.7
640.72742	1.2
773.21405	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	773.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19937	0.9
55.01896	1.1
57.03451	1.8
59.01386	100.0
60.01698	1.5
61.98831	2.9
69.03455	1.0
71.01394	11.4
71.08203	1.5
72.54577	0.8
72.99324	1.7
73.02959	9.0
75.00880	7.7
83.01393	6.7
83.05000	2.0
85.02984	4.6
87.00904	1.6
89.02467	4.6
93.03504	1.2
95.01410	1.4
99.00948	1.0
99.04551	3.3
101.02448	6.9
103.00396	2.7
103.01504	7.2
109.12375	0.8
111.00875	1.3
113.02490	5.3
115.00349	0.9
117.02028	0.9
119.03490	2.1
121.06601	1.3
125.02394	1.1
135.03032	12.8
140.74518	0.8
151.00401	1.9
161.04591	1.3
165.12875	2.5
167.10786	1.3
189.12885	1.1
191.10609	1.0
207.13921	8.2
209.11859	7.6
225.14951	11.7
227.12909	54.1
228.13174	4.5
251.12933	3.6
255.03168	1.1
269.13971	19.0
270.14551	1.3
284.03043	1.1
285.04022	5.9
287.15018	56.4
288.15427	4.4
293.13922	1.9
311.15121	1.9
329.16187	2.2
337.07675	4.5
359.17191	2.7
389.18198	11.4
438.92847	1.1
449.20300	21.4
450.20624	2.5
469.45425	1.1
567.22577	1.4
593.32037	1.8
655.33435	50.0
656.33801	11.7
687.42053	1.1
773.36096	70.9
774.36462	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	773.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.1
59.01387	100.0
61.98832	3.8
71.01399	20.1
72.99310	4.3
73.02951	6.9
74.13677	1.6
75.00851	8.1
83.01391	4.0
85.02960	4.6
87.00900	2.7
89.02461	12.9
95.05027	2.0
95.07430	1.6
97.06628	1.4
98.21797	5.6
99.00922	1.7
99.04528	1.8
101.02458	12.1
103.01531	4.7
105.01952	3.1
109.06577	2.9
111.73031	1.5
113.02475	7.3
119.03535	2.4
123.08149	1.9
130.03076	1.5
133.02969	2.5
135.03038	14.6
147.08174	3.0
149.09680	1.6
151.00349	3.5
153.09235	1.8
154.99878	1.8
161.04636	2.5
165.04068	2.1
167.10661	1.9
177.12906	2.2
179.10777	13.6
187.11331	4.0
192.18716	1.6
199.04024	2.6
203.10780	2.3
205.12361	17.3
207.13892	5.0
209.11829	4.9
225.14998	14.4
227.12898	27.5
228.13280	3.8
229.07195	1.6
251.12912	1.9
255.03156	2.2
269.04504	2.5
269.13867	9.2
283.02380	1.7
284.03278	11.8
285.04080	79.5
286.04382	7.6
287.14990	14.3
387.16669	2.1
389.18176	2.0
449.20325	5.1
475.27127	4.2
637.32288	3.6
655.22534	2.5
655.33459	44.4
656.33899	12.0
759.73438	1.9
773.36896	48.7
774.36804	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	775.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.70636	0.1
61.98826	0.2
71.01373	0.5
78.79361	0.2
78.95908	1.4
79.95747	4.0
82.30657	0.2
90.97146	0.4
96.96020	100.0
97.93140	0.2
97.95990	0.3
99.04527	11.0
99.14285	0.1
100.04872	0.3
101.02478	0.2
113.02535	0.2
113.92635	0.2
114.77054	0.2
114.93425	0.4
118.96642	0.6
125.02378	0.2
132.98238	0.2
161.04543	0.2
201.00830	0.3
201.45027	0.2
202.82895	0.2
215.02423	0.5
219.68294	0.1
241.00290	1.2
257.03503	0.4
258.03796	0.2
261.07288	0.3
261.09830	3.0
262.10165	0.2
279.95966	0.1
361.04688	3.0
362.05127	0.3
421.06638	1.1
491.20016	0.2
574.19244	0.2
603.38806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88941	1.0
59.01391	8.0
61.98830	0.9
62.07787	0.9
67.01921	1.1
69.08130	5.2
69.08556	4.1
71.01379	4.1
71.31878	0.9
72.99305	1.1
75.00862	2.0
79.85538	0.9
83.01405	1.7
83.43254	0.9
85.02963	2.5
87.00870	1.3
89.02475	2.2
90.56145	1.1
93.03484	5.2
95.01396	1.4
99.00874	1.1
101.02462	2.4
103.93941	0.8
109.02976	5.0
111.00906	1.7
113.02451	1.9
113.99591	1.8
115.00377	1.1
121.02978	6.5
122.03764	12.2
123.00833	1.6
123.04511	1.0
124.01669	1.7
124.54339	0.9
125.02472	1.3
127.00380	1.5
129.01915	1.4
133.02962	3.1
135.04543	1.7
136.01680	1.4
137.02463	15.0
139.04068	1.7
145.01428	1.8
149.02461	26.3
149.06039	1.2
150.03247	100.0
151.00414	12.5
151.03690	5.2
152.01187	1.9
152.04781	4.0
154.99832	1.4
159.04584	1.4
162.03238	1.4
164.04771	5.8
165.05586	94.4
166.02728	29.6
166.05885	5.6
167.03369	4.3
174.01743	1.2
175.04065	3.7
177.01912	2.3
177.05577	2.7
179.03415	2.4
179.07162	1.7
180.04335	6.7
181.05089	38.4
182.05418	2.3
187.04007	4.5
190.06329	1.3
191.03506	1.1
191.05620	1.9
192.04356	1.7
193.05092	2.3
195.06645	64.3
196.06984	3.7
205.05061	6.8
206.05479	1.2
219.06604	1.2
220.07437	6.0
221.07999	1.5
257.46188	1.1
277.05692	2.5
285.04050	1.1
329.10446	1.2
337.07745	13.0
357.09839	1.2
372.12189	2.2
379.16000	2.3
386.13849	1.6
387.10699	3.7
387.15063	7.8
402.13251	3.6
403.13812	3.1
416.14807	2.8
417.15573	50.9
418.15939	10.5
535.15900	2.6
550.18146	1.6
565.20825	63.2
566.21191	15.7
583.21960	2.2
587.20129	6.6
588.19757	1.6
613.22925	32.4
614.23444	9.0
616.59094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98821	0.7
63.02398	1.1
65.00327	0.9
68.95317	4.2
71.01389	1.8
73.02969	0.6
74.73272	0.4
75.00874	0.7
76.54287	0.3
83.01388	0.8
85.96825	0.4
86.63219	0.3
89.02441	0.8
101.02441	0.9
107.01406	1.3
109.02978	0.5
113.02449	0.9
121.02968	0.7
133.02956	4.0
135.03015	0.6
137.19839	0.4
149.02470	1.4
151.00360	3.6
175.04051	1.5
179.05635	0.5
185.06047	0.6
190.17593	0.4
199.04002	1.8
201.01964	0.5
213.05592	0.7
217.05119	1.4
225.14920	0.7
227.03580	0.6
227.13023	0.9
228.13263	0.6
241.05064	0.6
243.02995	0.6
256.03729	1.2
281.62561	0.4
284.03293	16.3
285.04071	100.0
286.04407	10.2
287.04633	0.5
305.45663	0.4
327.04892	0.5
337.07861	0.7
385.54926	0.4
657.34540	2.2
775.31799	31.7
776.32202	9.6
801.43201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03459	0.7
57.56506	0.7
58.00594	0.7
59.01388	40.4
59.68379	0.7
69.21921	5.6
71.01391	10.2
72.99313	1.3
75.00900	0.7
85.02966	2.2
89.01958	0.9
89.02460	9.9
95.01422	0.8
96.96023	1.5
101.02451	8.4
110.89789	0.7
111.18249	0.6
113.02460	4.2
116.85885	0.7
119.03534	3.9
134.03731	0.6
140.06163	0.7
140.07169	2.9
161.04526	0.7
163.11374	3.5
163.67058	0.7
165.05589	1.4
191.05627	1.3
191.50816	0.6
193.04996	0.8
195.06540	1.1
206.08087	0.9
207.10263	7.6
208.10551	1.6
223.06136	0.9
234.51793	0.7
267.07159	0.8
363.16772	0.8
385.11380	0.8
387.16641	100.0
388.16974	12.5
389.17151	1.4
567.20697	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	775.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98826	0.9
69.33390	2.5
71.01399	0.7
71.61260	0.3
77.95926	0.3
78.95930	3.8
79.95744	3.3
88.14043	0.3
94.98121	0.4
96.96024	100.0
96.96913	5.3
103.92048	0.4
125.02485	0.5
156.89491	0.3
279.23306	0.9
285.60748	0.4
294.84607	0.4
336.92740	0.3
361.04675	0.5
397.13571	0.7
409.18985	1.0
435.08255	1.2
453.09381	2.3
469.33136	0.5
474.20758	0.4
715.32416	2.8
716.32556	0.7
732.30054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
71.01392	0.2
71.26503	0.2
78.89857	0.1
78.95913	5.9
79.95748	3.3
89.02468	0.2
94.68193	0.1
94.98100	0.4
96.00932	0.1
96.96023	100.0
96.96925	7.4
97.95935	0.3
98.89132	0.1
99.04512	0.2
149.02502	0.2
165.01938	0.4
165.05527	0.1
167.25465	0.1
180.04294	0.2
185.74358	0.1
195.06656	0.3
225.07709	0.2
271.09760	0.2
285.03979	0.2
523.19836	0.3
543.35248	0.1
588.17462	0.1
775.47101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00591	0.7
59.01387	29.9
60.01705	0.7
60.48028	0.6
61.98825	1.1
65.00320	1.0
65.87228	0.5
67.01893	0.8
71.01389	20.8
71.28347	0.6
71.28741	0.5
72.01707	0.5
72.99304	1.8
73.02954	6.8
83.01405	5.0
85.02957	3.5
87.00878	1.7
89.02454	19.2
95.01392	0.9
96.95995	1.3
99.00896	3.4
99.04534	16.4
100.01686	2.5
100.04877	0.5
101.02453	13.3
109.02956	1.1
111.00898	9.2
113.02463	8.0
113.99581	1.4
115.00410	0.6
119.03526	6.1
124.98830	1.5
125.02448	0.9
127.00419	0.5
128.01175	4.0
131.03535	1.1
136.71767	0.8
137.02458	2.8
139.00414	1.4
143.03520	1.5
149.04623	1.0
150.03217	0.7
151.04036	1.1
153.01820	0.6
156.00668	100.0
157.01071	3.3
161.04613	3.1
165.01958	2.3
165.05583	1.1
167.03522	0.6
174.01779	2.7
179.03581	0.6
179.05627	4.8
179.07074	0.8
180.04276	1.1
181.04724	0.6
191.05734	0.8
195.06668	2.1
217.08763	0.7
221.06604	1.0
225.07751	0.8
231.13722	0.7
261.07718	0.8
276.10205	1.5
285.04001	1.1
287.16574	4.3
291.12436	3.2
336.07019	31.6
337.07465	4.5
361.15121	1.1
361.59741	0.7
402.63702	0.6
447.09271	0.9
471.22375	6.7
472.22955	1.3
509.24170	1.9
513.23096	0.7
537.21399	0.9
553.22925	2.0
571.23749	0.7
704.96600	0.8
777.29535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	10.5
61.98840	6.8
69.02931	21.7
71.01379	9.0
78.95912	5.1
79.37910	2.0
79.95759	3.2
84.40369	1.7
85.02972	2.1
89.02465	6.9
96.96025	100.0
96.96999	5.1
98.94978	4.4
98.95622	34.9
98.96439	6.7
99.00916	6.6
101.02467	3.5
109.02974	6.0
113.02505	3.5
113.35765	2.2
121.02995	3.4
133.02997	3.2
135.04477	3.0
137.02481	14.7
149.02451	4.8
150.03262	12.7
161.02544	2.9
163.04016	4.5
164.01212	2.7
164.04813	3.2
165.01958	77.5
165.05602	16.0
166.02396	4.8
175.04010	8.2
177.05544	3.2
179.03535	19.6
180.04309	58.9
181.04820	5.2
190.06375	8.3
191.07149	7.1
193.05095	8.7
194.05806	10.3
195.02896	4.0
195.04790	4.1
195.06648	78.6
196.07033	6.3
205.08727	8.4
207.06641	7.7
208.07411	4.0
209.08235	3.1
210.05380	9.8
215.09630	2.0
225.07722	45.7
226.07930	3.3
255.03040	2.9
282.61710	2.1
283.02533	4.2
284.03220	7.1
285.03983	10.4
358.14102	2.7
359.15067	38.0
360.15317	5.5
388.15414	3.6
389.16171	9.4
447.09250	11.8
567.22357	44.2
568.22626	7.2
585.23376	3.4
615.24579	27.2
616.24866	5.1
729.27460	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	779.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	85.3
60.01721	0.9
69.00198	0.6
69.14710	4.9
71.01392	18.9
73.02955	21.2
74.05978	0.6
77.59507	0.5
83.01399	6.0
85.02970	3.5
87.00919	0.8
89.02460	7.0
93.03469	0.7
95.01421	0.7
99.00926	0.7
101.02457	23.5
102.02792	1.0
107.01422	1.3
113.02465	9.2
117.03513	1.5
119.03508	3.1
123.11250	0.5
125.02484	1.0
130.17375	0.6
130.37022	0.6
131.03481	3.5
143.03513	2.8
145.72348	0.5
149.02437	1.0
149.04567	5.4
151.00421	2.5
161.04596	8.7
183.04572	0.6
191.05592	0.8
203.05635	1.4
211.04195	0.8
221.06664	2.2
225.05580	0.7
239.03517	1.7
240.04256	2.8
267.03040	1.0
268.03787	79.8
269.04504	34.2
270.04938	3.1
283.06223	0.9
303.14496	1.4
304.14792	0.6
311.05698	1.2
431.09866	100.0
432.10196	14.5
432.48502	0.6
688.29993	0.7
780.39435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01722	1.7
61.51088	0.8
61.98822	1.1
67.28443	0.8
75.00866	1.2
98.22559	2.0
102.95697	5.8
103.00414	2.0
103.01511	72.2
110.35864	0.9
151.50894	0.8
228.70953	1.1
276.83258	0.7
348.86539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75550	0.2
59.01386	100.0
59.61162	0.2
60.01720	1.2
61.98841	0.4
69.68053	0.4
69.68467	0.6
75.00893	1.8
78.33322	0.2
87.25497	0.2
99.99499	0.2
102.95700	0.7
103.00388	3.4
103.01508	63.4
104.01849	0.8
135.43150	0.2
163.66226	0.2
277.21539	0.3
308.25754	0.2
397.13303	0.4
415.14728	0.2
469.06293	0.3
488.43710	0.2
753.59875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.8
56.45097	1.0
57.03454	3.4
58.00605	3.2
58.83635	1.0
59.01387	100.0
60.01724	2.1
61.98845	2.9
68.96436	3.8
68.96855	7.7
71.01389	55.0
72.01723	1.2
72.99312	5.7
73.02940	6.4
75.00869	2.0
80.28475	1.3
83.01402	5.2
85.02962	14.0
87.00893	4.1
89.02455	40.2
93.03486	1.3
95.01424	4.3
96.96045	4.4
99.00913	3.5
100.17352	1.2
101.02458	29.8
103.01543	3.9
111.00871	1.8
111.08135	1.1
113.02467	17.1
119.03520	13.7
129.01979	2.2
135.03056	1.4
153.61763	1.1
161.04572	1.6
165.01978	1.5
165.05753	1.2
165.12875	7.4
174.11543	1.4
179.05649	3.6
183.13931	4.6
191.05714	3.4
224.16638	3.6
226.18124	8.0
227.12910	1.1
235.20782	1.3
277.05807	2.2
279.19885	2.9
285.04092	1.4
286.12967	1.1
323.18796	1.4
337.07816	11.2
377.34598	1.1
396.32272	1.2
432.22656	4.7
600.33997	97.4
601.34186	19.2
621.15637	1.2
780.40344	62.1
781.27759	1.9
781.40936	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	780.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	1.6
55.02042	0.9
57.03366	3.3
58.00509	3.2
59.01294	61.4
59.01626	11.2
59.01793	2.7
60.01655	1.0
61.98792	0.8
71.01290	43.9
71.01726	5.6
72.14202	0.8
72.99213	4.3
73.02853	4.1
75.00776	2.7
81.03381	1.1
83.01291	4.9
85.02850	12.2
86.03199	0.7
87.00783	5.0
89.02347	31.8
93.03388	1.3
95.01389	3.8
96.08170	0.8
96.95904	3.2
99.00810	2.7
99.04525	10.3
101.02454	26.8
101.03049	1.3
102.02707	0.9
113.02464	16.5
115.00323	0.9
116.92766	1.3
119.03514	11.1
127.45607	0.7
129.01836	0.9
133.02875	0.8
135.03023	5.6
135.04457	1.5
143.03401	2.0
149.04454	1.0
150.03192	1.7
161.04433	3.2
165.12883	6.5
174.11388	6.8
179.05461	2.9
181.08543	1.2
183.13818	1.3
191.05661	3.9
191.12730	0.8
219.17422	2.9
224.16396	1.0
226.17987	2.7
262.21768	1.5
271.09970	0.9
276.93549	1.0
279.19543	2.4
285.03891	0.9
323.18478	1.6
336.16663	1.7
337.07712	3.7
432.22455	1.4
486.27158	1.6
582.32788	0.8
600.33966	100.0
601.34271	21.3
780.40399	53.7
781.40814	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	781.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.5
59.01093	2.1
59.01385	36.3
71.01390	26.0
71.01692	0.7
71.25669	1.3
72.99300	1.8
73.02946	1.5
78.95905	16.7
83.01386	1.0
83.25080	1.0
85.02969	3.9
87.00898	2.4
89.01897	2.2
89.02454	43.7
95.01408	1.1
96.96974	31.4
101.02457	14.8
113.02465	12.4
115.00387	1.1
118.96659	2.3
119.03512	13.7
131.03499	1.7
143.03525	2.4
149.04558	1.3
160.04825	1.0
161.04588	3.0
164.93330	1.0
179.05635	12.3
210.99236	1.5
259.01419	2.7
341.10904	100.0
342.11301	8.5
379.06177	1.1
439.08380	12.8
621.56073	1.3
721.17780	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	781.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01723	1.6
65.51010	0.5
75.00892	0.9
102.95702	3.4
103.00391	3.7
103.01513	66.5
104.01933	0.7
151.93385	0.5
250.27408	0.5
271.73297	0.5
612.22925	0.5
738.66016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75101	0.3
57.03460	0.3
59.01385	100.0
60.01727	1.2
69.25519	1.8
69.25934	0.5
71.01381	1.0
75.00875	2.1
78.90887	0.3
87.00907	0.3
89.02457	0.6
99.04499	0.4
101.02450	0.7
102.55653	0.2
103.00492	8.2
103.01505	75.6
104.01842	1.0
113.02434	0.5
131.03545	0.3
161.74959	0.3
165.05528	0.4
195.06589	0.3
285.03851	0.4
416.17737	0.3
538.41687	0.3
674.99976	0.3
677.48792	1.3
678.50073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.2
71.27559	4.6
72.81972	3.3
74.73546	3.6
87.05669	6.4
87.73139	3.7
87.85367	3.5
129.10373	22.9
131.98752	3.7
138.83345	4.0
139.08810	6.9
140.07263	3.9
155.08163	3.9
163.51242	4.2
164.09526	5.7
165.10320	7.9
166.72089	3.5
182.12996	9.1
197.16632	4.6
207.14992	17.1
207.51619	3.8
215.53232	4.3
224.17668	9.1
225.16098	4.0
242.18744	9.3
295.21390	6.1
337.25977	10.0
355.27386	4.8
539.39233	6.9
573.37537	6.0
782.51959	100.0
783.52649	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	783.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
63.02409	0.7
64.98577	0.5
65.00344	0.8
69.49487	2.1
71.01382	2.2
73.02966	0.8
83.01420	1.0
85.02948	1.2
88.12835	0.7
89.02480	0.8
91.57566	0.5
98.21828	0.6
99.04523	0.6
101.02467	1.4
107.01424	0.7
109.02948	0.6
109.55228	0.6
113.02448	0.6
133.01465	0.6
133.02982	3.7
134.03770	0.6
135.04529	0.7
149.02417	0.8
150.38994	0.5
151.00378	2.5
162.87694	0.6
175.03966	1.2
191.05634	0.7
199.03920	1.4
212.25359	0.6
227.03438	1.0
241.05026	0.8
255.02934	0.7
256.03729	2.1
284.00739	0.4
284.03271	41.2
285.04053	90.3
286.04440	9.2
327.05157	0.7
445.17160	0.7
447.09348	100.0
448.09680	15.6
626.95233	0.6
739.39282	5.0
740.39563	2.4
748.74457	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
59.34702	0.3
64.83845	0.3
67.01893	0.4
71.01387	1.7
71.26778	0.4
73.02976	0.3
79.42162	0.3
81.03471	0.5
85.02962	5.4
87.00878	1.3
89.02472	0.4
93.03471	3.3
101.02440	0.7
105.51785	0.3
109.02952	0.8
111.04539	0.9
111.88527	0.3
113.02490	0.5
119.05034	0.4
127.04033	1.5
133.02963	2.5
134.03673	0.4
135.03018	0.6
135.04524	2.1
137.02472	0.4
144.37675	0.3
149.02521	0.4
155.03458	0.4
161.02437	1.8
161.04517	0.3
163.04056	0.6
173.04552	1.3
177.01918	0.6
179.03491	1.5
184.63971	0.3
191.05632	100.0
192.05971	4.4
193.05125	0.5
215.05566	1.0
223.06117	1.0
325.03632	0.4
351.07294	1.3
353.08817	11.5
354.09274	1.3
727.72510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.5
59.01383	4.9
61.98813	0.4
68.99825	1.9
71.01394	2.9
73.02937	1.1
75.00875	0.9
83.01394	1.3
85.02962	4.7
87.00890	1.3
87.04536	1.8
89.02411	0.8
95.01390	0.6
96.95987	0.4
97.02966	0.6
99.00884	2.7
101.02446	2.1
111.00887	2.3
113.02477	4.0
113.99598	9.0
115.00402	3.8
125.02467	0.4
127.00465	2.0
129.01967	1.8
139.00342	0.6
157.01445	3.6
169.01443	1.0
174.01711	9.7
175.02446	1.3
188.36537	0.4
209.67357	0.4
267.09079	0.5
277.05661	14.4
278.05994	1.0
337.07797	100.0
338.04062	0.5
338.08142	9.2
363.24554	0.4
365.16492	0.6
381.13828	0.7
405.06915	1.7
406.07492	0.5
455.16125	0.9
548.44128	0.5
684.98425	0.4
783.29681	3.6
784.28558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50995	0.7
55.01880	3.2
57.03447	2.4
59.01386	44.1
61.17181	0.7
61.98824	0.8
69.17022	0.9
70.30579	2.9
71.01387	20.3
73.02953	9.0
75.00874	0.8
83.01389	6.3
85.02959	12.8
86.00124	0.9
87.00897	1.5
89.02463	1.5
95.01406	1.7
97.02918	0.8
99.00902	3.5
99.04527	8.4
100.04922	0.9
101.02452	16.7
111.00900	1.1
113.02464	7.3
134.03745	1.2
159.03032	1.0
161.04605	1.7
174.67184	0.8
195.04474	0.8
197.09911	1.0
224.53575	0.9
258.54248	0.9
284.03284	11.1
285.04062	22.1
286.04523	2.6
407.29578	2.8
423.28986	1.3
447.09366	21.5
448.09811	4.6
473.32700	1.6
697.37854	9.5
698.38550	3.6
739.39185	100.0
740.39508	33.9
740.52686	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13586	0.5
59.01406	0.6
61.98822	0.8
73.94813	0.5
77.03981	0.6
81.41104	0.6
84.23179	0.5
108.90199	2.9
109.73373	0.6
114.87327	0.7
120.02192	0.7
121.02969	100.0
122.03316	4.7
135.88834	0.6
136.01585	0.7
165.01923	2.5
180.05875	0.8
181.06650	1.7
187.59163	0.5
191.03482	2.5
199.70322	0.6
209.04565	65.5
210.04900	5.0
216.51471	0.7
225.05565	2.3
229.15762	0.6
313.07190	3.7
357.06140	2.1
401.08829	10.5
402.09415	1.2
480.44913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03440	1.8
57.71990	0.8
59.01385	8.9
64.50474	0.8
67.01870	1.0
68.99797	1.3
69.03451	1.0
69.15971	4.2
69.16374	2.2
71.01395	11.9
72.99313	3.2
73.02937	1.6
75.00481	1.3
75.00878	11.8
76.80261	0.7
85.02962	12.5
87.00903	4.6
89.02464	3.9
93.03465	1.2
95.01398	3.0
96.96009	1.6
99.00895	6.6
101.02494	1.0
103.00393	1.4
113.02464	14.0
115.00411	1.3
117.01962	1.3
121.02969	53.0
122.03318	2.9
129.01886	1.0
132.23085	0.8
151.62888	0.7
157.01338	1.0
175.02504	1.9
191.05586	1.3
193.05070	0.8
231.05113	2.7
249.06174	37.5
250.06531	2.9
269.04523	1.4
353.08914	1.0
371.09857	100.0
372.10199	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	785.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03446	0.3
58.00589	1.0
58.18997	0.3
59.01385	100.0
60.01731	1.4
69.03469	0.5
69.11633	2.2
71.01392	20.9
72.01753	0.4
72.99320	0.8
73.02955	18.1
74.03317	0.3
75.00884	0.5
83.01399	5.6
85.02960	2.9
87.00885	0.7
89.02455	12.0
95.01427	1.1
97.02946	0.3
98.21787	0.4
99.00899	0.4
99.04546	0.3
101.02455	20.8
102.02831	0.3
113.02469	8.8
119.03506	5.3
120.03943	0.3
125.02494	0.7
126.27309	0.2
131.03537	2.0
143.03506	2.2
149.04576	5.2
152.16664	0.3
155.03551	0.5
161.04572	10.3
162.05028	0.5
179.05591	1.7
191.05667	0.6
203.05681	1.2
221.06709	4.7
247.11848	2.4
289.12927	5.4
289.20416	0.8
290.13602	0.6
333.11795	0.4
451.25558	8.5
452.25873	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	787.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.9
59.01384	7.3
61.98824	0.8
62.48205	0.4
68.99814	0.4
71.01392	6.2
71.28084	0.3
72.99320	2.7
73.02974	0.4
74.85331	0.3
75.00882	45.3
76.01183	0.4
76.65285	0.4
83.01405	0.8
85.02970	3.2
87.00890	3.5
89.02464	2.3
89.42163	0.4
97.09145	0.3
98.22545	0.7
99.00903	1.8
101.02459	2.1
106.33737	0.4
110.82334	0.4
113.02465	1.2
117.03516	0.5
119.03498	0.5
121.02972	0.6
122.03807	0.6
125.02457	0.4
126.56196	0.4
129.01958	14.0
131.03452	0.6
132.02164	0.5
134.03751	6.0
134.06190	0.5
135.03001	1.0
135.04340	0.4
137.02477	0.5
147.03014	1.1
149.02473	1.1
149.06104	0.4
150.03244	1.5
151.00317	0.5
151.04004	0.8
160.01701	0.5
165.04065	100.0
166.03006	0.6
166.04369	3.1
175.04018	0.8
181.05038	0.4
191.05733	0.4
193.05090	3.5
195.06624	1.2
223.06168	0.5
255.03023	6.7
256.03760	2.6
269.04382	0.5
283.02502	7.4
284.03284	9.5
285.04010	6.3
286.04364	0.8
341.08817	3.1
387.14551	1.0
401.87805	0.3
433.09470	2.7
434.09750	0.5
444.04761	0.5
446.08286	1.7
447.09360	0.9
459.07230	8.5
460.07587	1.5
535.19916	0.6
566.62720	0.4
583.22131	0.5
595.14581	10.2
596.14709	2.1
621.12738	0.9
639.13458	0.8
706.45746	0.4
765.33917	0.6
787.17169	1.7
787.31671	1.3
787.43854	0.7
788.18683	0.5
788.32770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
57.51679	1.0
58.70675	0.9
59.01387	8.6
59.19439	1.1
61.98827	3.1
65.00323	4.0
71.01404	4.9
72.99327	2.2
75.00878	37.8
82.91131	0.9
83.01385	3.2
85.02954	2.3
87.00898	2.5
88.98782	1.1
89.02457	2.9
92.77219	1.0
93.03453	1.0
95.01364	0.9
99.00912	2.9
101.02465	2.8
103.73984	0.8
107.01400	5.3
109.02959	1.5
113.02452	1.7
121.02982	1.4
124.01725	1.2
125.02496	1.8
129.01962	9.1
133.03006	2.3
134.03737	1.2
135.04541	61.8
136.04852	3.1
147.03046	1.1
151.00380	15.5
152.00978	1.1
154.96530	1.2
161.02507	1.9
161.04648	1.5
165.01895	2.3
165.04054	58.4
166.04346	2.1
186.46608	1.1
191.05573	2.5
229.04974	1.0
239.03557	1.5
240.04210	1.2
255.02992	3.4
264.04288	5.0
265.04968	3.7
266.05872	6.0
267.02835	1.2
267.06577	2.8
279.03177	1.5
279.06616	1.1
281.08307	3.3
283.02524	2.1
284.03192	2.4
285.04086	9.6
291.03003	4.3
292.03763	2.3
293.04541	4.2
295.02496	10.6
296.03342	7.7
297.04053	2.1
307.02716	1.8
307.06229	2.0
308.03284	5.0
309.03995	4.2
319.02710	1.2
323.05591	7.3
333.03888	1.3
334.19345	1.1
341.08838	3.6
343.06137	2.4
359.05692	1.8
371.05490	1.5
372.06165	1.5
388.06000	2.2
399.05164	1.1
400.05878	2.5
401.06668	2.7
416.05182	5.7
417.06049	3.2
418.06979	5.0
419.07779	16.1
420.07980	2.8
431.07858	3.8
433.09314	31.1
434.09695	5.8
443.04132	1.7
444.04782	12.8
445.05499	2.4
447.09537	7.0
459.07233	100.0
460.07587	17.2
489.08377	1.2
527.52991	1.1
532.22266	1.2
553.09827	1.6
581.13013	5.4
595.14667	32.7
596.14709	8.3
621.12555	71.4
622.12915	15.5
639.14001	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	787.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55318	0.3
59.01383	0.4
61.98813	0.3
65.11376	0.2
67.01900	0.2
67.03201	0.2
69.23576	1.7
85.02974	0.3
93.03463	1.3
101.02460	0.3
117.82126	0.2
121.02945	3.4
134.03770	0.6
135.04535	2.9
137.02443	0.9
149.02460	28.3
150.02791	1.6
151.04024	0.6
152.01175	5.6
163.02744	0.4
163.04042	4.8
164.04811	23.4
165.01939	1.6
165.05168	1.3
167.03506	1.1
169.05077	2.9
179.07150	8.7
180.04228	0.5
180.07495	0.7
193.01442	13.6
193.05119	0.5
194.01761	0.7
207.02965	0.3
208.03786	35.6
209.04158	2.3
223.06137	100.0
224.06461	7.5
265.07401	0.3
282.55917	0.2
315.26468	0.2
385.11441	19.0
386.11826	1.8
565.19080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.0
61.98836	13.2
70.88998	5.3
71.01384	8.3
72.10847	2.3
84.23698	2.3
86.99342	2.1
88.49835	2.7
89.02481	4.2
93.03454	2.3
101.02502	5.0
107.01484	2.7
108.78346	2.4
113.02418	6.1
133.02986	11.9
140.99463	2.6
149.02477	2.9
151.00429	6.9
175.03973	3.4
285.04095	100.0
286.04376	14.0
355.59042	2.5
397.22476	4.8
424.17438	2.5
456.13525	2.7
457.24741	3.6
703.95386	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	787.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	23.3
68.27892	1.7
71.01387	5.0
74.79655	1.6
79.74926	2.0
81.49961	2.0
89.02459	3.6
96.96037	2.1
101.02469	3.8
101.35020	1.5
113.02457	3.8
133.02995	12.5
149.02452	2.3
151.00380	4.7
175.03932	2.9
202.55736	1.9
285.04083	100.0
286.04425	11.4
288.89886	2.0
297.38361	2.0
397.22266	6.7
415.23480	2.5
502.25919	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4128
Annotation	Agamenoside H
Peak:m/z	Relative Intensity
55.01870	0.8
57.03472	1.1
59.01385	100.0
60.01709	1.4
61.98843	3.9
71.01037	1.2
71.01393	13.3
72.99336	0.8
73.02974	4.0
77.69772	0.8
83.01408	2.4
83.21702	0.8
85.02964	7.6
87.00880	1.1
89.02457	2.3
95.01398	1.5
97.68694	0.8
101.02457	6.0
113.02479	7.5
119.03531	1.0
127.57236	0.8
131.03505	0.9
143.03481	1.4
156.01364	0.8
161.04596	1.1
162.03316	1.7
177.05566	1.3
185.70268	0.8
285.04031	1.7
339.08295	1.3
377.27014	1.2
393.22861	1.7
427.28632	1.4
445.29541	4.5
463.30460	4.4
464.31296	1.2
481.31519	3.8
521.31348	3.0
589.33740	7.0
590.33759	1.7
607.34979	35.5
608.35437	8.9
625.36023	23.3
626.36548	5.4
667.37238	9.1
668.37231	2.0
685.37915	1.9
727.38983	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	789.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10157	0.3
59.01387	13.6
61.98830	0.6
63.02410	0.6
65.00336	1.3
66.72390	0.4
71.01382	1.7
73.02972	0.5
83.01384	1.3
85.02961	0.7
89.02454	1.1
95.01391	0.5
98.22635	0.8
101.02438	1.2
105.03482	0.4
107.01417	2.4
113.02456	1.1
119.03551	0.5
121.02977	0.9
133.02966	12.7
134.03275	0.4
149.02441	2.0
151.00385	5.9
164.75041	0.4
175.04015	4.3
197.06044	0.6
199.03969	2.3
201.01921	1.0
213.05592	0.7
215.03516	0.7
217.05072	1.7
229.84398	0.5
241.05121	0.8
256.03644	0.5
266.33240	0.4
285.04074	100.0
286.04410	11.2
337.07770	1.5
363.60208	0.3
399.23901	2.8
417.25003	2.1
459.26059	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	789.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.1
65.00335	0.9
69.76612	1.3
69.77023	1.0
71.01382	1.6
73.02951	0.8
83.01395	1.4
89.02466	0.6
101.02476	1.3
107.01402	1.8
113.02467	0.9
133.01976	0.5
133.02966	10.8
133.03920	0.9
138.03284	0.5
147.04544	0.5
149.02446	1.9
151.00371	4.5
175.04041	3.6
199.04060	2.6
201.01941	0.8
205.49484	0.5
213.05663	0.5
217.05090	1.2
223.04118	0.6
239.03380	0.5
241.04999	1.1
245.74283	0.5
265.79593	0.4
285.04077	100.0
286.04413	9.6
287.04758	0.6
369.83051	0.5
399.23944	4.2
400.24408	0.9
417.25204	2.2
418.25653	0.5
459.25861	1.2
466.58508	0.4
789.31830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
57.97210	2.2
59.01386	79.4
60.01728	2.5
61.98837	7.0
69.39297	11.9
71.01381	14.3
73.02954	11.3
78.39338	1.8
83.01385	13.5
85.02960	2.9
89.02466	4.3
92.77888	2.0
95.01451	1.8
96.53508	1.7
97.06606	2.8
99.00913	3.1
99.04531	3.0
101.02435	10.7
113.02455	5.0
116.92844	2.0
117.59912	2.1
121.03003	4.8
135.02956	2.7
136.01677	87.4
137.02045	3.2
151.04028	100.0
152.04314	3.1
175.69533	2.5
207.13968	2.5
209.11816	5.9
215.76454	1.9
225.14951	12.4
227.12924	56.5
228.13248	3.7
233.11998	1.9
251.12784	3.2
263.54333	2.0
269.13910	11.6
284.03452	2.5
285.04105	9.2
286.04449	2.5
287.15015	14.8
299.35178	2.0
327.12451	6.7
342.11157	5.7
343.11792	5.0
357.13483	40.2
358.13727	5.3
431.19092	9.4
493.91727	2.2
503.30261	3.8
509.34772	3.3
620.48175	2.0
671.40369	4.2
754.88129	2.0
771.31799	4.3
789.33374	55.5
789.47327	3.2
790.33313	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	789.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
59.01387	100.0
60.01729	1.0
69.34383	1.9
69.34811	1.6
71.01394	9.8
72.99310	0.7
73.02959	4.1
83.01403	1.8
85.02966	5.6
87.00922	0.6
89.02472	2.2
95.01429	0.6
98.22807	0.4
99.00929	1.4
101.02454	8.7
102.02845	0.7
111.00924	0.5
113.02464	4.8
119.03567	1.1
143.03564	0.7
146.14499	0.5
159.02997	0.9
161.04607	4.8
170.32791	0.5
179.05341	0.5
200.18385	0.4
269.10333	10.2
269.13016	0.8
270.10785	1.3
311.11423	7.1
312.11737	0.9
375.30249	0.6
433.24747	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	790.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81519	0.2
57.31210	0.2
59.01373	0.6
61.98838	100.0
62.15428	0.2
65.71391	0.2
71.01389	0.3
74.83323	0.2
101.02536	0.2
145.94844	0.2
181.05074	0.2
265.05759	0.2
285.04242	0.6
333.62543	0.2
337.07846	0.3
501.38141	0.2
551.94946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
61.86345	0.4
63.02400	0.5
65.00323	0.7
67.89060	0.4
69.03468	0.4
69.40222	0.7
69.40630	1.8
71.01381	1.6
72.17625	0.3
72.58969	0.3
73.02951	0.8
75.00874	0.6
83.01384	1.5
85.02962	1.1
85.06612	0.4
89.02450	1.0
93.12657	0.3
93.16742	0.4
94.83439	0.4
95.04972	0.5
100.68848	0.4
101.02475	0.8
105.03467	0.7
107.01401	1.9
113.02434	0.4
119.03514	0.6
119.88624	0.5
121.02963	0.6
125.06078	0.6
133.02969	4.7
134.03310	0.7
135.03029	0.7
139.11307	1.0
143.07135	1.6
149.02455	1.4
151.00389	4.0
175.03989	2.6
177.02019	0.5
181.12378	0.5
183.10321	0.7
185.06133	0.6
199.04042	2.4
201.01941	0.7
213.05492	0.6
217.05109	1.1
225.11414	0.4
227.12979	0.7
229.05098	0.5
243.02998	0.8
246.72969	0.4
255.02852	0.5
267.02982	0.4
284.03387	4.2
285.04074	100.0
286.04422	16.5
287.04684	3.3
329.13751	0.4
505.19278	0.8
611.21649	0.6
613.19208	2.5
655.20795	1.5
673.21399	16.0
674.21698	4.0
791.23621	8.1
792.23859	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	793.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75985	0.3
58.36832	0.3
58.72556	0.3
59.01370	0.7
61.98844	0.4
73.02945	0.8
75.00872	1.5
85.07964	0.3
99.00861	0.4
99.92597	11.5
100.92601	1.0
104.13562	0.4
116.92879	100.0
116.97270	11.5
117.01949	1.4
117.92895	6.1
228.80922	0.4
268.26172	0.4
335.17651	1.0
381.40942	0.4
479.64453	0.5
580.54724	0.5
758.19556	0.4
796.33398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.98829	0.6
68.99572	0.3
73.02953	1.6
74.75978	0.2
75.00877	2.9
99.00893	1.4
99.92594	11.5
100.92605	0.7
113.98046	0.2
114.93431	0.4
116.92873	100.0
116.97253	5.9
117.01945	3.6
117.92886	7.0
118.02177	0.2
138.72453	0.2
148.52861	0.3
229.19196	0.3
245.13072	0.3
335.17490	0.4
397.13528	0.5
433.66611	0.2
727.08966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48906	0.3
59.01097	0.5
59.01389	9.5
61.67167	0.3
65.00330	0.6
71.01391	3.6
73.02959	1.8
83.01400	1.6
85.02967	0.7
89.02453	1.3
99.04541	0.6
101.02483	2.0
107.01414	1.6
111.04486	0.3
113.02483	0.8
113.99626	0.4
119.03506	0.3
127.00461	0.4
131.03465	0.4
133.02960	5.0
139.00504	0.4
149.02454	1.2
149.04541	0.3
151.00385	4.5
154.99899	0.5
158.11954	0.4
161.04599	0.7
171.04550	0.4
175.04094	1.6
179.05617	0.3
191.05656	0.3
195.06802	0.4
199.04042	1.8
201.02045	0.5
214.49915	0.3
217.05009	1.1
220.13351	0.3
227.12897	0.9
241.05081	0.5
243.02875	0.5
284.03265	1.7
285.04077	100.0
286.04416	9.9
286.07626	0.5
287.14874	0.7
319.06894	0.5
337.07858	0.8
447.09354	15.8
448.09665	2.7
563.72650	0.5
607.22394	2.5
608.22882	0.6
795.30804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92453	0.3
59.01374	0.9
61.38564	0.3
61.66056	0.3
61.98831	0.5
62.84599	0.3
65.46443	0.3
71.08239	0.3
71.75911	0.3
73.02953	2.0
75.00880	2.7
82.41659	0.3
82.71408	0.3
85.66767	0.3
89.02474	0.3
90.43952	0.3
99.00890	1.5
99.92597	12.9
100.92597	0.9
112.44146	0.3
114.93443	0.5
115.42605	0.3
116.92878	100.0
116.97262	4.7
117.01948	4.5
117.92895	6.6
137.05426	0.3
148.34375	0.3
163.14577	0.3
174.50323	0.3
175.02257	0.3
337.19339	0.5
349.28134	0.3
360.06259	0.3
397.13617	0.5
411.48248	0.3
531.21130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
71.01389	0.4
71.25024	0.1
73.02958	1.1
75.00885	1.3
89.02464	0.2
92.75726	0.1
95.89464	0.1
99.00885	0.4
99.04555	0.1
99.92599	9.8
100.92621	0.6
100.93261	0.1
101.02505	0.1
106.21051	0.1
113.02439	0.1
114.40747	0.1
114.93441	0.2
115.00383	0.2
116.92878	100.0
117.01953	2.5
117.05577	0.2
117.92887	6.3
165.05573	0.2
169.61118	0.1
207.07198	0.1
223.06212	0.2
236.43562	0.1
510.83133	0.1
633.35089	0.1
662.45129	0.1
677.48834	0.2
745.46368	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77572	0.6
57.89711	0.6
58.00603	1.8
59.01385	35.8
59.84092	0.7
59.99574	0.6
60.85355	0.7
63.52445	0.8
71.01389	19.9
71.26892	1.4
72.99310	2.4
73.02950	1.5
76.32992	0.6
83.01379	1.6
85.02942	4.1
89.02454	24.0
90.98584	0.9
95.01389	1.7
96.96014	1.1
99.00887	1.5
101.02455	13.3
101.06132	0.7
109.02977	4.6
111.00893	4.5
113.02460	8.9
119.03519	11.3
119.05025	1.2
131.03496	1.2
134.03760	3.7
135.02913	1.0
135.04539	5.5
143.03601	1.1
149.06075	3.7
161.08243	0.9
162.03278	0.9
163.04007	1.6
173.04550	2.8
175.04030	1.3
177.05574	4.6
178.02797	1.4
179.03510	2.2
179.05661	1.8
191.05577	3.6
193.05093	8.8
212.38853	0.7
219.02953	1.6
219.06584	1.9
221.04587	17.9
221.06445	0.6
222.04828	1.5
311.04166	0.8
311.07700	12.6
312.08191	0.8
323.13495	100.0
324.13876	8.6
353.08807	1.6
355.10333	1.1
383.09991	0.9
443.11789	0.9
473.13049	20.8
474.13449	2.6
533.77203	0.9
646.61108	0.8
666.63129	0.8
762.16357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.7
58.00598	2.9
59.01384	37.5
60.00274	1.4
61.98810	2.3
71.01389	44.3
71.27353	2.0
72.99319	3.7
73.02949	2.5
83.01404	2.0
85.02959	28.6
87.00866	1.9
89.02445	31.0
95.01415	7.5
97.02979	1.7
99.00828	2.4
101.02450	15.1
113.02463	33.4
116.92883	3.3
119.03524	11.5
131.03520	2.0
143.03499	3.8
155.35974	1.6
161.04587	7.0
179.05638	6.1
198.31444	1.6
213.60782	1.6
234.67775	2.0
258.94733	2.3
261.84052	1.9
323.10205	1.9
395.29062	2.0
407.29742	7.7
423.29062	3.5
425.30887	4.0
473.32910	7.7
635.38531	4.7
797.43420	100.0
798.43634	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.7
58.00612	1.2
59.01384	29.4
60.99309	2.7
66.97095	0.5
69.23360	1.2
69.23754	4.0
71.01392	18.3
72.99310	1.4
73.02956	4.3
83.01398	4.0
85.02957	7.4
87.00890	1.4
89.02456	9.6
93.87094	0.5
95.01405	1.0
99.00908	1.1
101.02466	7.0
101.85301	0.5
112.98836	2.1
113.02438	3.4
113.63941	0.5
119.03532	1.2
145.01515	0.7
154.99809	0.5
191.05737	0.8
194.05954	1.0
209.08298	2.1
219.21553	0.7
284.03305	0.5
524.58502	0.6
537.31433	0.6
665.39648	1.9
753.39362	0.9
797.43396	100.0
798.43744	31.6
799.43665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
57.03708	0.4
58.00587	1.1
59.01387	31.1
59.05275	0.5
60.01712	0.6
60.99318	3.2
61.98834	1.2
69.23189	3.5
71.01391	20.7
72.99314	2.0
73.02965	2.7
75.00879	0.9
83.01423	2.6
83.05058	0.8
84.02193	0.5
85.02965	8.5
85.36992	0.5
87.00884	1.7
89.02460	12.9
93.03481	2.1
95.01417	1.9
96.96000	0.6
98.21765	0.8
99.00889	1.2
99.04528	0.7
101.02457	10.9
111.00878	0.8
112.98843	1.8
113.02457	5.7
119.03526	3.5
121.02996	0.6
129.02014	1.3
137.02457	4.6
145.01442	1.3
147.03021	0.5
149.02524	0.7
154.99872	1.0
157.01434	0.6
161.02516	1.0
162.13509	0.6
175.02547	0.6
176.01129	0.9
176.04790	0.6
177.02028	0.6
191.03630	1.0
191.05617	1.1
193.05086	0.7
208.03738	0.7
209.08238	1.4
211.23091	0.5
223.06227	1.3
227.12990	0.7
281.06946	0.5
285.04163	1.0
287.15024	0.8
337.08136	0.7
447.53589	0.6
573.33093	1.9
574.33270	0.6
618.42139	1.3
639.83112	0.6
753.38873	0.6
797.43402	100.0
798.43719	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01382	7.0
61.98834	0.5
67.01885	0.8
69.03468	0.9
71.01391	3.1
73.02943	1.0
74.72897	0.5
75.00887	0.5
78.77885	0.5
81.03489	0.7
83.01402	0.6
83.05045	0.8
85.02955	15.3
87.00885	4.1
89.02452	0.8
93.03473	5.9
96.95995	0.6
98.21764	0.7
99.00881	0.7
99.04559	1.3
101.02445	1.3
103.51392	0.5
103.63786	0.5
105.03470	0.6
107.01385	0.6
109.02957	1.4
111.04550	1.7
113.02460	1.2
119.03458	0.7
125.02468	0.7
127.04015	2.4
132.02139	0.5
133.02979	3.3
134.03821	0.6
135.02979	0.8
135.04562	1.1
136.57449	0.4
137.02483	1.0
146.53043	0.5
147.00949	0.6
149.02446	0.9
150.03218	0.5
151.00383	2.0
154.99879	0.7
160.01790	0.6
161.02464	39.4
162.02808	1.7
171.03017	0.6
173.04604	2.8
175.00375	0.8
175.03986	0.8
178.02542	0.5
191.05638	90.6
192.05981	3.9
215.05609	0.7
227.03386	0.6
227.12953	0.9
255.03017	33.6
256.03711	11.9
257.04062	0.8
257.26260	0.5
267.02975	0.8
269.04538	1.1
283.02512	35.0
284.03256	27.7
285.04034	21.8
286.04453	1.5
287.15021	1.1
295.02530	1.5
337.07935	0.9
351.07065	2.4
353.08917	3.3
389.06787	0.5
405.17908	1.3
445.05692	100.0
446.05969	16.6
447.09329	2.3
448.09378	0.7
521.33514	0.7
607.11011	21.4
608.11401	5.8
683.38269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01382	7.0
61.98834	0.5
67.01885	0.8
69.03468	0.9
71.01391	3.1
73.02943	1.0
74.72897	0.5
75.00887	0.5
78.77885	0.5
81.03489	0.7
83.01402	0.6
83.05045	0.8
85.02955	15.3
87.00885	4.1
89.02452	0.8
93.03473	5.9
96.95995	0.6
98.21764	0.7
99.00881	0.7
99.04559	1.3
101.02445	1.3
103.51392	0.5
103.63786	0.5
105.03470	0.6
107.01385	0.6
109.02957	1.4
111.04550	1.7
113.02460	1.2
119.03458	0.7
125.02468	0.7
127.04015	2.4
132.02139	0.5
133.02979	3.3
134.03821	0.6
135.02979	0.8
135.04562	1.1
136.57449	0.4
137.02483	1.0
146.53043	0.5
147.00949	0.6
149.02446	0.9
150.03218	0.5
151.00383	2.0
154.99879	0.7
160.01790	0.6
161.02464	39.4
162.02808	1.7
171.03017	0.6
173.04604	2.8
175.00375	0.8
175.03986	0.8
178.02542	0.5
191.05638	90.6
192.05981	3.9
215.05609	0.7
227.03386	0.6
227.12953	0.9
255.03017	33.6
256.03711	11.9
257.04062	0.8
257.26260	0.5
267.02975	0.8
269.04538	1.1
283.02512	35.0
284.03256	27.7
285.04034	21.8
286.04453	1.5
287.15021	1.1
295.02530	1.5
337.07935	0.9
351.07065	2.4
353.08917	3.3
389.06787	0.5
405.17908	1.3
445.05692	100.0
446.05969	16.6
447.09329	2.3
448.09378	0.7
521.33514	0.7
607.11011	21.4
608.11401	5.8
683.38269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	5.9
71.01366	6.0
71.35099	5.8
75.12826	3.0
85.73768	3.1
87.48543	3.0
99.04533	31.1
141.67641	3.4
143.03513	6.1
152.25362	3.3
212.04749	3.0
255.02983	13.7
256.03723	33.7
283.02484	14.3
284.03317	75.1
285.04007	16.0
299.05682	3.5
323.09845	3.5
475.10425	100.0
476.10684	18.1
737.74377	4.1
749.67889	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
68.99941	2.8
71.01398	1.1
85.03008	0.5
89.02458	1.0
93.03482	0.8
101.02454	0.5
113.02514	0.3
119.03544	0.6
121.02979	3.7
135.04541	2.5
136.01653	0.4
137.02489	0.7
149.02457	29.2
150.02818	1.3
151.04012	0.6
152.01163	5.7
161.02478	0.4
163.04015	4.7
164.04813	23.8
165.01994	1.3
165.05190	1.3
167.03548	1.0
169.05115	2.6
176.04785	0.5
177.05553	0.3
179.03413	0.3
179.05843	0.4
179.07158	9.8
180.04227	0.4
180.07454	0.6
191.05655	0.5
193.01434	14.0
194.01744	1.0
203.36359	0.3
208.03784	39.5
209.04109	2.4
209.08167	1.0
221.08353	0.4
223.06133	100.0
224.06461	7.4
225.06564	0.3
265.07321	0.3
267.62057	0.3
274.99982	0.3
281.12433	0.3
285.78119	0.3
311.30319	0.4
320.60684	0.3
378.68689	0.3
385.11420	20.7
386.11694	2.3
827.93439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99606	2.0
59.01382	15.2
61.98837	8.8
70.59390	4.6
71.01386	5.7
73.02964	2.5
78.50875	2.0
85.02973	4.8
87.00906	3.5
89.02448	2.6
101.02424	2.8
102.98634	5.5
109.02973	2.5
114.02175	2.0
121.02955	2.6
135.04561	2.2
137.02451	4.2
138.05586	2.1
151.00365	11.2
166.02750	34.9
167.03342	3.2
168.39650	2.0
181.05090	60.8
182.05397	4.9
191.05666	14.2
195.06696	2.3
283.04999	10.1
284.03262	2.6
285.04099	7.2
344.00916	1.9
359.32846	1.9
385.11359	3.7
387.10892	8.9
402.13199	8.1
417.15613	100.0
418.15894	16.4
447.09570	9.4
492.70361	2.4
535.21887	5.9
579.20728	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	801.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.0
61.98832	8.4
70.29897	3.8
71.01394	7.0
85.02959	5.0
87.00904	2.4
88.98818	2.9
89.02456	3.4
101.02443	3.9
102.98609	7.4
109.02994	2.2
113.02485	2.3
116.92875	2.5
121.02991	1.9
125.02471	1.8
135.04532	4.0
137.02480	7.8
150.03214	2.6
151.00401	10.8
166.02736	32.2
167.03488	3.5
179.03430	1.9
179.05730	2.1
181.05087	59.5
182.05396	4.2
191.05621	7.9
195.06644	2.1
205.48650	1.7
283.04935	9.0
284.03296	3.6
285.04065	7.4
295.06131	2.9
385.11505	3.5
387.10925	5.7
388.10904	1.9
402.13324	7.1
417.15579	100.0
418.15833	13.9
447.09323	6.5
535.22021	3.5
579.20886	2.3
588.44879	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	803.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.7
59.01389	100.0
60.01715	1.3
69.03435	0.9
71.01393	21.0
71.26951	1.3
72.99344	2.3
73.02958	24.0
75.00881	4.4
82.56992	0.7
83.01404	6.9
85.02940	3.4
87.00883	3.4
89.02456	6.8
92.81084	0.7
95.01448	0.8
97.02959	0.8
101.02460	24.3
101.03121	1.3
102.23447	0.6
105.85263	0.7
113.02473	9.2
117.02003	2.3
117.03527	1.2
119.03544	2.2
121.02998	1.3
123.35669	0.6
125.02467	0.8
131.03535	2.3
134.03764	20.3
134.04735	1.3
134.87276	0.6
135.03024	16.4
135.04013	1.4
143.03543	1.6
149.04620	4.9
149.06129	1.7
161.04556	7.5
165.04204	0.8
167.10896	2.1
178.02829	1.3
179.05663	1.3
184.12454	0.7
191.05701	0.9
193.03352	1.3
193.05095	20.7
193.06790	1.1
193.69450	0.8
194.05484	1.7
203.05710	0.9
221.06721	2.6
232.38342	0.7
311.07855	3.8
312.08258	0.8
340.60495	0.7
371.10046	2.3
387.20367	1.4
405.21582	2.1
447.22403	24.3
448.22559	3.1
614.25562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
58.00580	1.3
58.18877	1.0
59.01386	100.0
61.98831	2.7
62.08171	0.9
69.03452	1.5
71.01388	36.7
71.28764	1.1
72.99297	2.0
73.02959	41.5
75.00883	1.8
75.35522	1.0
76.09837	0.7
81.21909	0.8
83.01392	10.8
85.02975	6.4
87.00866	1.3
89.02447	12.3
95.01395	2.1
99.00881	1.4
99.04523	1.6
101.02455	43.1
102.02810	1.3
107.86051	0.9
113.02469	14.6
119.03536	6.7
125.02412	1.7
128.80528	0.8
131.03514	3.7
143.03534	5.5
149.03740	0.8
149.04605	8.6
155.03540	1.5
161.04576	15.8
179.05597	2.4
191.05659	1.5
193.04999	1.1
203.05452	1.6
208.03879	1.0
221.06717	5.5
223.06252	1.4
301.54050	0.9
337.07816	2.6
403.72708	0.8
433.24432	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	803.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01386	100.0
60.01723	1.3
61.98855	0.4
70.21940	1.0
70.22285	0.3
71.01392	11.0
73.02958	3.1
78.29643	0.3
83.01417	1.4
85.02966	4.8
86.00117	0.3
87.00893	0.4
87.62552	0.3
89.02444	2.6
91.70546	0.3
95.01437	1.1
99.00932	1.8
101.02454	6.5
112.68986	0.3
113.02462	4.0
119.03537	0.9
143.03517	0.3
145.78206	0.3
159.03073	1.0
161.04591	4.2
178.69740	0.4
244.69749	0.4
315.18143	8.7
316.18448	0.8
357.19363	1.8
633.74780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71011	0.9
59.01368	1.4
72.87289	0.9
74.24371	0.9
94.05195	1.0
107.05032	1.5
109.02974	4.8
121.03021	1.0
123.00948	1.2
136.01711	1.5
137.02461	28.9
138.02904	1.2
150.03241	2.5
151.00417	12.4
151.04099	4.8
152.01044	1.5
152.04811	2.5
162.03288	1.2
163.03990	1.2
164.01152	3.1
165.01950	100.0
165.05568	5.4
166.02734	36.0
167.03401	2.3
175.04018	2.3
177.02045	1.8
177.05566	0.9
178.02785	2.2
179.03523	23.1
179.07060	1.7
180.04311	59.2
181.05084	40.8
182.05357	2.6
184.03754	1.1
187.04031	1.6
190.06377	1.6
191.03543	1.3
193.05154	1.9
194.05862	5.8
195.03119	1.9
195.06644	81.4
196.06921	5.3
202.06398	1.0
203.03687	0.8
204.04221	1.3
205.05025	6.1
207.06627	1.3
210.05383	12.5
220.07454	3.7
225.07707	71.4
226.08127	3.9
331.49844	0.9
337.08154	1.1
341.83017	1.0
345.09668	1.0
358.38611	1.0
359.11389	2.1
372.11942	1.5
386.13660	1.2
387.10245	5.8
387.15158	6.7
388.11270	1.8
402.13220	4.0
416.14896	3.6
417.15598	56.5
418.15982	9.3
449.10999	1.2
549.10413	0.9
565.17725	2.2
580.20093	1.5
595.21906	56.8
596.22375	13.1
643.24011	20.5
644.24457	6.1
821.10852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.4
61.98840	10.1
66.94192	1.3
69.00622	14.9
71.01386	3.1
85.02959	2.0
87.35625	1.3
88.90808	1.3
88.98823	1.5
89.02480	3.1
90.80757	1.2
93.03440	2.1
99.00880	1.7
99.04559	4.1
101.02489	2.2
113.02473	1.6
115.52378	1.3
121.02969	6.5
122.03754	11.5
125.02452	1.4
133.02997	2.5
135.04559	2.5
136.01663	2.7
149.02458	28.4
150.03246	91.5
151.03667	5.2
160.01790	1.9
164.04852	6.6
165.05588	100.0
166.05908	5.6
166.69205	1.3
177.05617	2.2
180.04320	7.4
191.05438	1.7
195.06648	52.5
196.06967	4.3
268.07571	3.3
268.10638	1.6
269.01605	1.6
283.09811	2.1
286.04541	1.4
286.27441	1.5
296.06931	2.0
308.07028	1.9
308.10428	3.6
309.07684	2.8
313.10901	1.6
323.09216	3.9
324.09927	3.2
325.10822	3.2
326.11621	5.1
327.08820	5.6
328.09488	1.7
338.11945	2.9
339.08786	10.3
339.12152	2.0
340.09122	2.2
341.14066	3.8
342.11005	9.6
354.11160	7.3
357.13510	25.6
358.13870	3.5
369.13507	31.2
370.14005	3.6
457.13000	1.8
472.15433	3.2
505.18893	5.1
535.19794	47.6
536.20135	10.9
565.20966	1.8
583.21930	68.7
584.22144	17.1
653.25696	1.7
758.03314	1.5
798.21503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.62609	0.7
61.98843	3.9
68.96853	4.1
68.97279	3.0
71.01395	4.3
73.02953	1.0
84.58245	0.6
84.69933	0.7
85.02974	1.2
89.02454	2.9
97.46472	0.7
99.04549	0.8
101.02451	2.2
109.02979	1.6
113.02467	1.7
119.03501	1.7
121.02954	0.8
123.00872	1.1
137.02458	16.9
139.03989	0.7
139.54372	0.7
149.02438	1.1
150.03300	0.8
151.00415	6.7
151.04018	1.4
152.01241	0.9
158.23592	0.6
163.04044	0.9
164.01302	0.7
165.01949	90.9
166.02719	15.2
167.03412	1.2
175.04019	1.2
177.01958	5.7
177.03391	0.9
177.05385	0.6
178.02463	0.9
179.03511	13.7
180.04303	58.3
181.05078	18.8
182.05495	0.8
192.04303	4.0
193.04977	0.7
194.05830	2.8
195.03009	2.6
195.06642	73.6
196.07007	4.5
205.05109	1.8
207.06664	6.2
210.05374	10.3
211.05835	0.9
220.07460	0.7
225.07706	100.0
226.08040	6.5
248.29617	0.7
285.03882	0.8
337.07773	2.7
338.08902	0.8
387.11035	1.3
387.14856	5.8
402.13303	1.5
417.15598	22.2
418.15909	3.8
595.21954	6.2
596.21826	1.3
643.23975	10.2
644.24139	2.8
773.99493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.1
60.62609	0.7
61.98843	3.9
68.96853	4.1
68.97279	3.0
71.01395	4.3
73.02953	1.0
84.58245	0.6
84.69933	0.7
85.02974	1.2
89.02454	2.9
97.46472	0.7
99.04549	0.8
101.02451	2.2
109.02979	1.6
113.02467	1.7
119.03501	1.7
121.02954	0.8
123.00872	1.1
137.02458	16.9
139.03989	0.7
139.54372	0.7
149.02438	1.1
150.03300	0.8
151.00415	6.7
151.04018	1.4
152.01241	0.9
158.23592	0.6
163.04044	0.9
164.01302	0.7
165.01949	90.9
166.02719	15.2
167.03412	1.2
175.04019	1.2
177.01958	5.7
177.03391	0.9
177.05385	0.6
178.02463	0.9
179.03511	13.7
180.04303	58.3
181.05078	18.8
182.05495	0.8
192.04303	4.0
193.04977	0.7
194.05830	2.8
195.03009	2.6
195.06642	73.6
196.07007	4.5
205.05109	1.8
207.06664	6.2
210.05374	10.3
211.05835	0.9
220.07460	0.7
225.07706	100.0
226.08040	6.5
248.29617	0.7
285.03882	0.8
337.07773	2.7
338.08902	0.8
387.11035	1.3
387.14856	5.8
402.13303	1.5
417.15598	22.2
418.15909	3.8
595.21954	6.2
596.21826	1.3
643.23975	10.2
644.24139	2.8
773.99493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.5
60.98060	0.7
61.98835	2.6
66.78033	0.5
67.01894	1.1
69.60052	0.5
71.01394	2.9
78.49075	0.7
85.02972	0.8
89.02452	1.3
91.21182	0.6
91.83662	0.7
93.03474	0.7
96.96026	2.4
98.22568	1.2
99.04545	0.9
100.60460	0.6
101.02402	0.8
109.02954	4.3
113.02387	0.6
122.03743	1.1
123.00847	0.9
124.01656	0.8
135.04573	0.7
136.01672	1.4
137.02469	26.4
138.02966	1.0
139.00352	1.2
139.04066	1.0
149.02457	1.3
149.06104	0.6
150.03210	5.9
151.00381	5.9
151.04019	3.3
152.01131	1.6
152.04761	1.4
153.01891	1.1
161.02484	1.2
162.03233	1.4
163.04066	0.9
164.01181	2.8
165.01952	100.0
165.05600	8.7
166.02731	19.2
167.03377	2.5
175.04080	1.1
176.04855	0.7
177.01912	2.0
177.05577	1.5
178.02655	1.2
179.03505	20.8
179.07088	0.8
180.04301	54.2
180.63318	0.6
181.05078	25.2
182.05399	1.6
187.03937	1.3
190.02795	0.7
190.06433	0.9
191.03467	0.8
192.04280	2.0
193.05040	1.7
194.05888	3.6
195.02971	2.0
195.06645	66.7
196.06946	3.7
205.05066	4.4
205.08838	0.6
206.05783	0.6
207.06686	1.8
209.08195	1.4
210.05400	9.3
216.11760	0.7
219.06581	0.6
220.07451	2.6
223.06120	0.9
225.07713	50.1
226.08067	2.3
267.06537	1.0
285.04129	1.4
359.11557	1.5
369.13675	1.2
371.11172	1.0
387.10675	1.9
387.14978	4.4
402.13202	3.4
403.14008	2.3
416.14847	2.2
417.15594	33.9
418.16022	5.4
438.95593	0.7
565.17828	2.2
580.19116	1.0
583.22156	0.8
595.21899	43.7
596.22095	8.5
613.22498	0.8
643.23999	15.8
644.23987	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	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.1
70.88871	5.5
70.89243	5.8
71.01385	23.4
85.02959	6.0
89.02460	13.4
101.02471	11.2
106.06618	5.7
113.02465	4.5
119.03513	5.3
120.08192	12.9
122.06159	22.5
125.24593	2.8
134.06140	32.5
134.52461	2.7
152.07147	7.5
190.05104	4.0
223.08659	5.3
235.12512	3.4
237.10347	3.9
239.11964	7.7
251.08186	3.8
251.11867	5.3
263.08374	7.0
264.09048	11.5
265.09738	8.8
277.09790	8.4
278.10544	4.1
279.11389	30.0
280.11993	3.9
291.11417	8.7
292.11957	3.6
307.10828	4.4
324.11301	3.7
386.18918	3.3
414.18637	3.4
444.18842	4.5
490.19937	4.2
517.46161	3.2
606.24384	5.2
650.23199	11.2
651.24182	11.3
682.25861	12.1
712.33893	3.4
729.31171	3.6
773.30499	100.0
774.30896	28.7
805.33014	46.4
806.33301	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	805.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	27.8
63.89935	2.2
67.95176	2.4
70.45138	5.6
71.01385	18.6
77.05027	2.3
78.88862	2.3
85.02943	4.0
86.71688	2.7
89.02458	12.2
101.02458	11.3
106.06638	4.0
107.03796	4.2
113.02472	6.8
119.03510	4.9
120.08206	12.4
122.06113	21.4
134.06145	25.4
152.07220	6.0
162.05605	2.5
198.41022	2.3
223.08910	3.9
237.10332	5.2
239.11984	6.2
240.85756	2.5
241.13589	2.7
250.07158	2.6
251.08424	3.8
251.11923	5.9
251.97577	2.9
263.08191	4.6
264.09091	10.3
264.12228	2.3
265.09717	6.8
266.10519	4.4
277.09906	5.8
278.10547	4.1
279.11371	23.9
280.11841	4.2
291.11395	8.0
292.11932	4.0
324.11176	5.3
360.16617	2.7
472.18893	3.8
490.19608	5.1
525.24268	2.9
610.23474	3.0
650.23621	12.8
651.24487	16.1
652.24536	3.6
674.29993	3.0
682.25989	12.1
683.25861	3.0
773.30481	100.0
774.30914	27.8
805.33398	37.4
806.34119	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	805.331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.8
59.01390	25.4
60.03815	2.0
61.98829	4.0
69.85681	1.6
71.01403	12.5
71.28592	2.1
73.02957	2.1
77.41943	2.3
80.05058	2.1
83.01401	3.3
85.02960	3.9
87.00905	2.5
89.02451	7.8
94.06639	5.4
99.00892	2.6
101.02469	7.2
106.06639	2.5
107.03809	11.5
113.02487	4.6
113.99624	2.2
115.33736	2.0
120.08196	6.3
122.06139	73.1
123.06499	2.2
125.13009	2.2
134.06177	11.9
135.03018	5.2
136.01535	2.0
136.07739	2.4
139.02773	6.7
146.58334	2.0
152.07195	100.0
153.07536	3.2
160.04065	2.1
162.05603	2.5
190.05190	2.8
211.08678	2.1
213.20432	2.0
223.08890	2.7
224.09523	5.2
225.10524	4.1
235.12535	3.0
237.10367	5.8
238.11150	2.9
239.11942	5.9
241.13539	6.1
251.08420	3.9
251.11830	4.7
263.08203	3.5
264.09177	4.3
265.09848	5.3
277.05521	2.8
277.09857	3.1
279.11356	13.9
281.13000	2.9
285.04059	7.7
287.09583	3.2
291.08008	2.9
291.11307	3.4
323.10431	4.9
325.11826	4.1
337.07861	9.5
337.11392	2.2
339.13480	7.2
341.10446	2.6
355.13385	2.7
359.16309	3.1
360.17123	8.2
373.13977	2.3
386.15167	7.8
387.15503	2.6
401.17102	2.2
402.18240	8.2
403.18643	2.5
410.25024	2.5
428.15878	2.9
444.19437	4.3
445.19196	2.7
448.18704	8.8
460.18848	7.0
461.19290	2.2
488.18323	4.2
489.19238	5.3
502.19742	3.1
504.21567	4.2
520.20892	11.7
525.25049	8.2
526.25391	2.5
551.22748	6.3
567.26166	9.1
585.45953	2.4
593.24487	9.1
611.25269	29.5
612.25366	7.2
625.26758	86.4
626.26923	22.6
643.27814	60.3
644.28021	15.4
645.52991	2.4
805.28247	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	807.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48969	1.6
60.22587	1.5
61.98823	6.7
69.08749	1.4
69.19849	11.0
70.28427	1.5
77.52005	1.6
83.67528	1.3
96.39338	1.5
96.96022	2.0
121.02952	2.1
122.03782	3.4
129.09398	1.5
137.02477	2.8
149.02522	4.3
150.03259	19.5
161.02419	2.5
162.03217	2.9
165.01952	11.8
165.05609	11.0
168.47984	1.7
169.68875	1.8
175.04036	12.8
176.04668	1.6
177.05580	6.0
179.03496	3.2
180.04306	9.1
183.70599	1.6
190.06313	1.8
193.05110	1.8
195.06625	15.3
211.36192	1.6
218.05774	5.3
222.05379	4.5
225.07697	8.6
231.06660	2.6
238.06256	3.8
239.03296	1.6
250.06197	2.3
266.05811	8.2
277.05042	3.0
278.05795	14.7
279.06442	3.8
281.04620	2.4
281.08182	4.8
282.05411	4.1
294.05347	2.1
297.07761	3.6
306.05368	14.3
307.05975	11.5
308.06625	2.5
309.04333	2.7
309.07718	3.4
310.04819	5.9
320.06915	5.4
321.07736	37.6
322.04877	2.9
322.08099	10.5
324.06421	4.7
325.07187	25.5
326.07596	2.8
335.09180	2.3
336.10043	12.0
337.07159	29.7
337.10867	4.7
338.07669	3.8
339.08777	7.8
340.09518	24.1
341.09930	2.3
351.08731	1.9
352.09427	8.0
353.10129	2.0
354.11179	4.1
355.11926	57.8
356.12073	7.9
367.11926	100.0
368.12238	11.6
533.18164	1.9
563.19287	4.3
564.20087	2.2
611.21265	5.8
632.71204	1.8
729.25146	3.6
807.28815	4.0
815.91370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
61.98827	9.8
71.00457	2.1
71.26363	3.1
75.31449	2.2
80.85374	2.4
81.13288	2.3
81.55328	2.2
96.96040	4.0
107.07364	2.1
122.03809	2.9
137.02444	4.2
150.03252	17.4
162.03258	3.0
165.01958	12.7
165.05614	12.6
166.02693	2.3
175.04013	15.4
177.05626	3.7
180.04314	9.6
190.06277	4.2
195.06650	17.2
218.05867	5.2
222.05321	6.6
225.07697	9.3
237.05280	2.8
252.82782	2.3
265.04965	2.7
266.05841	8.5
278.05844	16.6
281.04715	2.7
281.08270	4.4
294.05356	4.7
297.07727	5.9
306.05319	12.9
307.06226	11.8
309.03894	3.3
309.07556	2.8
310.04694	5.6
320.07010	5.1
321.07721	46.1
322.04999	5.6
322.08264	10.9
325.07233	28.4
326.07535	3.5
335.09219	3.5
336.09933	11.7
337.07224	32.4
337.10956	5.2
338.07617	4.9
339.08780	9.9
340.09427	21.7
341.09753	4.4
352.09595	4.8
354.11026	6.5
355.11893	53.3
356.12393	10.9
367.11887	100.0
368.12207	14.9
563.19135	6.5
601.44006	2.2
611.21155	6.8
648.78162	2.5
729.25061	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	807.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08485	2.3
59.01379	8.0
61.98840	2.8
71.01389	6.3
71.26527	2.9
85.02975	3.2
87.00864	2.5
89.02455	4.1
96.03885	2.1
101.02464	3.0
113.02492	3.8
121.21649	2.5
125.02477	2.6
137.02448	22.9
145.03008	6.9
147.04521	3.3
151.04033	5.1
154.21837	2.1
159.17465	2.1
162.03192	4.9
163.03999	8.9
164.01089	3.9
165.01947	100.0
165.05576	2.9
166.02504	7.1
173.64014	2.4
173.91656	2.0
174.03191	2.6
175.03987	12.5
176.04768	3.4
177.05571	6.4
179.03532	18.9
180.04285	66.1
181.05074	3.5
184.92088	2.3
188.04829	4.9
189.05591	5.1
190.06360	17.6
191.03546	4.0
191.05453	2.0
191.07147	7.0
192.04274	3.3
193.05070	5.4
194.05884	14.4
195.06645	80.7
196.07004	3.6
203.07088	2.9
205.08731	12.3
206.09149	2.4
207.06665	11.7
208.07269	2.9
209.08220	5.0
210.05405	13.6
212.73759	2.5
221.23410	2.2
225.07715	53.3
226.08022	4.7
355.65463	2.2
389.16110	55.8
390.16632	5.5
425.64081	2.6
531.37891	2.5
567.22455	48.6
568.22705	7.2
597.23444	5.0
615.24475	36.0
616.24841	7.3
645.25696	6.7
647.38617	2.4
768.85327	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	809.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.0
59.92967	0.6
71.01393	1.8
71.27922	0.9
73.02956	0.6
74.27818	0.6
85.02987	0.6
89.02477	0.9
93.03472	6.1
95.01376	0.9
101.02435	0.9
107.05051	1.0
108.02203	0.8
109.02962	1.7
113.02478	0.7
118.06371	0.6
121.02969	7.5
122.03767	16.7
123.04601	0.9
124.01751	0.9
125.02435	0.7
132.02199	1.0
133.02977	2.5
134.03761	3.0
135.04549	0.9
136.01678	7.8
137.02481	5.6
145.02917	0.6
146.03772	1.9
147.04535	1.0
148.01659	0.8
149.02467	33.0
149.06059	3.2
150.03246	100.0
151.00388	2.2
151.04036	19.1
152.04666	1.2
153.01933	0.8
161.02505	1.0
161.06081	0.7
162.03281	0.8
164.04803	7.1
165.05588	89.1
166.02730	6.7
166.05904	4.5
170.19316	0.6
177.02043	0.9
177.05571	1.9
179.03539	1.2
179.07153	9.0
180.04301	7.0
181.05092	9.3
184.03786	0.7
187.03922	0.7
191.03528	0.8
192.04369	0.8
193.05028	0.7
195.06644	50.5
196.06976	2.7
205.05083	2.1
207.06754	0.8
219.06656	1.4
220.07317	1.5
265.12372	0.6
285.04276	0.7
315.08734	0.8
337.07965	0.6
341.10577	0.7
341.74585	0.7
351.63577	0.5
387.14514	2.3
403.14124	0.9
406.02042	0.6
417.10577	0.9
417.15604	9.4
418.15894	1.4
460.48990	0.6
535.15564	0.8
551.19397	0.9
564.20270	1.1
565.20825	20.2
566.21234	3.9
595.21698	2.3
596.21997	1.0
613.23132	3.9
614.23456	0.8
619.21375	1.3
713.26050	8.0
714.26398	2.3
725.25549	1.1
743.27039	3.1
744.26892	0.7
761.28027	1.5
791.29230	0.8
809.29224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
61.98846	1.0
69.33997	3.9
71.01402	0.7
93.03449	4.1
108.02229	0.9
109.02979	0.9
120.93652	0.7
121.02989	6.0
122.03756	17.3
123.04643	0.7
129.96945	0.6
133.02994	2.3
134.03775	0.7
136.01669	3.7
137.02475	2.4
142.26773	0.6
146.03804	0.9
149.02452	23.1
149.06068	0.6
150.03241	100.0
151.00452	1.0
151.04001	6.8
162.03304	0.8
164.04808	3.4
165.05585	93.6
166.02711	3.9
166.05907	5.1
177.05551	1.2
179.07150	4.3
180.04338	6.0
181.05116	4.6
195.06642	69.0
196.06990	3.6
204.09377	0.6
205.05060	0.9
285.79471	0.7
329.10297	0.7
387.10242	0.7
387.14563	3.1
417.15515	8.8
418.15869	1.3
488.42706	0.7
565.12994	0.7
565.20917	10.3
566.21069	2.7
595.21326	1.9
613.22784	3.0
667.22711	0.8
713.25665	1.4
743.26233	0.7
761.26459	0.7
809.29248	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.6
59.01094	2.9
59.01384	49.5
60.01711	1.5
61.98835	7.7
65.60091	1.6
65.99685	1.2
68.99825	6.8
69.03471	2.7
71.01392	30.9
72.99318	3.5
73.02953	7.3
75.00863	5.6
82.95415	1.4
83.01389	7.8
85.02964	17.8
87.00871	10.7
89.02453	23.2
93.03487	1.8
95.01403	5.1
96.96017	3.3
97.02968	3.0
99.00893	11.6
101.02462	16.7
111.00908	4.0
112.98807	1.6
113.02473	20.4
113.99603	19.4
115.00391	9.0
119.03502	8.7
125.02477	1.6
127.00384	4.2
129.01970	3.7
135.04581	1.9
137.02467	1.6
143.03479	2.7
145.01450	1.8
147.03033	3.0
151.00441	2.5
154.99782	1.4
157.01433	2.2
161.04602	3.2
163.04073	1.4
165.01952	1.5
165.12801	3.1
171.10306	1.9
179.05684	2.4
191.05637	4.6
195.06642	2.1
209.11768	1.6
211.13445	2.7
229.14532	1.5
247.20703	2.1
250.17453	1.4
255.02960	12.7
256.03680	5.0
277.05606	19.6
278.06061	1.4
283.02530	13.0
284.03116	9.3
285.04053	9.4
286.04453	1.8
291.19675	9.3
309.20734	5.8
327.21783	5.6
337.07938	5.3
471.25827	1.5
489.27109	16.0
503.34000	1.7
589.21265	3.3
705.33392	5.9
723.34259	3.8
749.90533	1.4
765.34760	1.6
767.41962	4.8
809.34393	100.0
810.34875	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.0
59.01382	9.4
61.98830	3.4
69.03459	2.2
69.53795	0.7
70.01808	2.8
71.01392	19.3
72.99304	2.0
73.02950	8.1
75.00880	1.3
76.27937	0.7
83.01396	0.9
85.02963	11.7
86.00082	1.4
87.00890	10.4
87.04534	2.4
89.02469	1.8
96.96013	0.9
101.02473	3.0
103.04037	1.5
113.02476	7.8
115.04037	1.5
125.02430	0.9
126.90406	0.9
131.03494	5.6
135.12233	0.7
143.03529	3.4
145.05122	1.1
149.02449	0.8
150.03261	3.2
163.06189	1.0
165.05612	2.4
167.91139	1.0
195.06685	2.4
205.07104	1.2
215.14430	1.8
217.16052	2.8
239.14371	1.0
266.56137	0.8
356.04852	0.8
377.28833	1.0
391.26599	2.6
393.28088	2.9
394.28812	0.9
395.29678	3.0
405.28452	1.7
407.29706	2.7
408.29886	1.3
409.27722	1.3
419.25601	1.2
421.27811	4.3
422.28372	1.0
423.29251	5.5
424.29739	1.2
425.30673	16.9
426.30966	2.6
437.27161	3.1
438.27399	1.1
439.28580	56.0
440.28882	11.9
441.30591	1.3
443.31854	6.3
453.26608	1.2
457.29517	1.7
487.30807	12.6
488.31015	2.3
500.08047	1.0
555.29907	2.0
740.98236	1.0
760.89575	0.8
761.37543	1.4
809.39795	100.0
810.40222	33.2
810.52264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	1.8
59.01387	32.8
60.99311	4.2
61.98838	83.3
69.20406	1.5
69.70300	1.6
71.01394	25.4
71.27044	2.1
72.99323	2.7
73.02946	4.8
83.01418	3.2
83.98391	1.6
85.02965	11.3
87.00899	1.7
89.02451	17.6
95.01441	2.1
99.00875	3.1
101.02462	13.8
113.02444	10.6
119.03531	5.1
124.80622	1.5
125.02531	2.5
137.02437	2.0
150.03159	2.6
165.05531	2.2
167.07144	1.8
234.45985	1.7
285.04379	3.6
285.07648	2.6
300.10046	1.5
313.30396	1.4
331.12378	2.2
345.63684	1.7
348.98904	1.4
381.54797	1.8
425.99161	1.7
606.66663	1.7
697.93616	1.7
809.43414	100.0
810.29340	2.0
810.43921	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.1
59.01387	47.1
60.99340	3.6
61.98837	11.1
69.03010	16.7
69.03422	3.9
71.01389	23.1
73.02963	3.4
83.01389	3.5
85.02967	9.2
87.00884	2.5
89.02466	14.7
93.84035	2.3
99.00906	3.0
101.02489	6.6
113.02478	5.6
117.50352	2.3
138.76949	2.5
149.02509	2.7
150.03290	6.1
165.05606	7.0
195.06584	5.4
519.18506	2.4
705.32635	3.4
723.34088	5.5
749.41486	2.7
765.35205	3.2
809.43524	100.0
810.44025	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98838	8.5
69.07106	3.3
69.07506	12.5
71.01382	3.2
85.02911	2.1
89.02473	1.6
93.03459	6.0
98.28339	1.5
113.02434	2.0
115.08274	1.5
121.02977	6.5
122.03760	13.7
133.02962	3.1
134.03760	3.5
136.01669	9.5
138.03252	1.9
146.03793	2.9
147.04530	2.8
149.02457	33.2
149.06105	3.1
150.03242	100.0
151.04031	26.4
162.03273	1.9
163.03992	1.8
164.04811	7.0
165.05582	80.0
166.05913	3.4
175.04036	2.5
177.05586	4.3
179.07123	6.2
180.04308	8.7
181.04962	1.9
189.05574	2.6
190.06372	3.4
191.03401	1.6
191.07039	3.4
194.05890	3.3
195.04829	2.1
195.06621	41.7
205.08636	3.5
389.16214	10.3
536.20477	1.6
537.21594	6.8
567.22748	9.1
568.22662	2.6
585.23859	3.0
615.24512	2.6
715.27808	7.5
745.28589	2.2
763.28821	1.7
775.28613	1.6
787.33081	1.7
811.45111	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	811.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.8
59.01389	27.7
60.99310	4.8
61.98831	11.0
68.02750	1.7
71.01389	19.5
72.99309	2.6
73.02952	5.3
78.87347	1.8
83.01397	2.7
85.02966	10.8
88.98820	1.8
89.02470	7.0
98.22527	7.3
101.02464	12.2
104.00810	1.9
113.02478	3.5
122.03773	1.7
140.90657	1.8
149.02409	2.6
150.03163	2.5
151.04042	2.0
165.02002	2.7
165.05534	2.5
195.06673	3.9
205.44452	1.7
215.38039	1.8
335.63544	1.8
409.97552	2.2
443.31256	1.9
691.15057	2.0
774.42450	1.8
811.44983	100.0
812.45258	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00612	0.3
59.01382	4.9
60.99277	0.4
61.98831	1.1
65.61123	0.2
67.01884	0.8
69.03467	0.4
71.01395	3.4
71.27853	0.4
72.99288	0.4
73.02939	0.9
75.00892	0.6
77.93841	0.3
81.03452	0.5
83.01401	0.6
83.05029	0.8
85.00916	0.3
85.02959	14.3
86.03300	0.5
87.00893	4.1
89.02455	0.8
93.03467	6.8
96.95991	0.3
99.04502	0.8
101.02439	1.4
108.06135	0.2
109.02996	1.3
111.00085	0.2
111.00839	1.4
111.04512	1.4
113.02470	1.1
115.04018	0.4
116.58832	0.2
125.02483	0.4
127.04031	3.1
129.01941	0.4
131.03531	0.3
133.02954	0.3
134.03767	1.0
137.02487	0.6
143.03468	0.4
149.02388	0.3
149.04597	0.3
149.06055	0.3
150.03194	0.5
153.01897	0.3
154.99863	0.7
160.01778	0.3
161.02364	0.3
165.05544	0.3
171.02997	0.9
173.00874	0.6
173.04565	1.8
175.03960	0.5
178.02762	0.4
191.05630	100.0
192.05984	4.1
193.05096	1.3
195.06618	0.3
253.09291	0.3
255.03113	1.7
256.03683	0.5
269.14252	0.3
283.02518	1.2
284.03195	1.5
285.04065	1.6
337.07776	0.7
367.10312	1.7
444.04996	0.5
446.08868	0.3
459.07248	7.0
460.07635	0.9
493.30402	0.3
595.14410	0.5
621.12567	0.8
622.12769	0.4
656.23920	0.3
812.46783	1.0
813.18951	2.2
813.36163	0.3
813.47467	0.5
814.18829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01387	48.7
68.99814	2.9
69.24249	6.9
71.01395	7.5
71.01731	1.4
72.99335	1.3
73.02941	3.1
75.00878	1.9
83.01403	4.9
85.02956	4.9
87.00882	6.9
89.02446	1.9
95.01369	0.9
96.96046	1.0
99.00873	4.2
101.02465	3.2
111.00905	2.2
112.98837	5.5
113.02451	3.7
113.99593	7.4
115.00439	4.3
127.00389	5.3
129.01941	3.3
139.00394	2.3
145.01439	9.2
154.99911	8.9
156.00681	1.3
157.01425	2.5
207.13951	4.9
209.11865	4.1
225.14983	4.2
227.12938	22.3
228.13208	1.3
251.12872	2.5
258.41537	1.0
269.13983	3.3
277.05655	8.9
278.06100	1.1
285.03922	3.1
287.15021	17.3
288.15399	2.4
298.77005	1.2
319.06732	3.7
329.16077	1.3
331.26758	1.0
337.07751	7.4
447.09247	2.3
518.97290	1.0
534.57483	1.0
589.22253	1.0
607.22534	100.0
608.22998	20.4
649.23541	11.4
650.23621	2.5
695.30890	2.0
795.25385	4.9
796.25464	1.7
813.43500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.6
61.98814	0.5
67.60289	0.4
69.06252	1.2
69.06664	2.7
71.01390	5.8
72.99331	0.5
73.02953	2.6
75.00887	0.5
83.01392	1.3
85.02966	2.0
89.02460	1.4
94.71074	0.4
96.96010	0.4
99.00876	0.5
101.02460	4.0
109.21370	0.5
113.02468	1.9
119.03533	0.6
129.13115	0.4
131.03510	0.8
135.03027	0.5
143.03531	0.4
161.04547	0.6
179.05563	0.5
191.05507	0.5
223.06360	0.5
269.04663	0.5
285.04257	0.7
316.21729	0.5
317.21259	4.4
318.21341	0.6
331.22427	0.5
461.25491	8.1
462.25940	1.4
475.27881	0.5
479.26563	14.5
480.26816	3.5
493.28445	0.6
503.26529	0.7
521.27612	100.0
522.27942	20.4
535.39801	0.5
563.28436	2.1
651.39941	1.0
813.45367	2.8
814.45135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
58.00587	1.4
58.31931	0.6
59.01386	29.4
59.52179	0.6
60.99303	1.6
61.98833	1.8
71.01395	20.1
71.26210	1.1
72.99315	2.0
73.02960	2.5
77.94209	0.7
83.01379	2.1
85.02962	7.0
87.00877	1.1
89.02451	12.7
95.01417	1.7
96.96035	2.5
99.00906	1.5
101.02460	12.1
107.82347	0.7
113.02453	5.1
119.03505	3.7
128.03598	0.9
150.03246	1.4
165.05615	1.1
170.55818	0.7
179.05649	0.9
195.06624	1.3
284.03522	0.9
285.04227	2.7
287.09357	0.9
336.18329	0.7
389.28619	0.8
427.32028	0.8
439.32480	1.4
447.09601	1.1
813.42871	100.0
814.43219	32.7
814.58508	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	815.408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
58.00604	3.0
59.01387	100.0
60.01710	1.0
60.99304	0.4
69.02861	3.6
69.03455	0.5
71.01392	54.7
72.01749	0.7
72.99314	4.3
73.02953	8.0
73.03330	0.6
75.00877	0.7
81.03474	0.4
83.01398	4.1
84.02185	0.5
85.02963	14.2
87.00900	3.1
89.02457	58.1
90.02779	0.8
92.43240	0.4
95.01405	5.0
97.03000	0.6
99.00917	1.5
101.02456	31.8
102.02830	0.7
107.06509	0.4
112.20361	0.3
112.91460	0.3
113.02464	27.2
114.02789	0.5
119.03516	25.6
120.03867	0.7
123.08196	1.3
125.02488	0.8
125.09766	0.9
131.03534	3.4
135.04564	0.4
135.08192	0.9
137.09761	0.9
143.03531	5.8
147.08200	1.2
149.04582	3.7
150.90166	0.4
153.09239	7.9
159.03058	0.5
161.04582	14.7
162.04913	0.7
163.11240	0.5
171.08266	0.6
177.12926	0.5
179.05624	20.8
180.05992	0.9
187.11276	2.1
189.07652	0.3
190.10030	0.4
191.05611	1.0
203.10832	0.5
205.12360	11.7
206.12726	0.9
221.06712	1.0
223.13531	1.9
238.34825	0.4
247.13448	0.8
298.49973	0.5
326.26505	0.4
367.17639	11.1
368.18060	1.6
385.18726	50.4
386.19006	7.8
387.20456	0.6
427.19757	5.7
428.20071	0.7
583.97333	0.4
709.65271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.96354	1.8
63.41743	1.6
71.01395	3.3
75.63751	1.6
79.66547	1.6
83.76962	1.5
87.00887	1.5
89.02440	2.5
91.44558	1.7
91.61914	1.6
96.99342	1.9
98.21629	2.7
101.02496	1.9
104.92807	1.8
109.93813	1.7
141.01730	46.9
142.02058	1.7
203.16100	1.8
235.08253	2.5
277.21790	7.1
290.99399	1.7
359.21924	3.6
397.13400	11.8
419.11649	2.1
437.12848	3.8
457.39716	2.0
469.06778	2.2
577.08527	2.1
697.34192	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	817.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24292	0.7
59.01387	100.0
59.92758	0.7
60.01712	1.0
61.98830	1.7
71.01392	3.0
89.02480	2.9
96.99313	5.0
97.03047	0.9
98.22620	1.6
100.31040	0.7
101.02486	2.5
107.62845	0.7
108.58974	0.7
113.02527	1.6
141.01729	51.1
142.02084	1.3
229.99303	0.8
277.21747	6.4
278.21936	0.9
359.22012	4.6
370.71143	0.8
397.13568	10.8
398.14099	1.3
408.42850	0.7
415.14908	2.4
419.11902	2.0
437.12784	4.1
469.06857	0.9
486.27112	0.9
497.14963	0.9
697.33698	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	818.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.7
68.98923	18.6
73.20177	1.5
80.71308	1.8
82.06643	4.3
87.05634	5.5
94.06647	2.8
111.02053	1.9
121.04046	2.1
129.10371	20.7
130.08768	2.2
139.08778	4.1
140.07205	4.4
155.08263	7.0
155.11855	2.4
164.09573	6.4
165.10361	5.2
167.10732	1.5
167.34074	1.5
182.12959	5.2
183.11491	2.4
197.16641	4.2
200.14073	5.6
207.15059	17.6
208.15381	1.9
224.17690	9.0
225.16135	5.1
232.04286	1.9
241.13448	3.7
242.11885	2.4
242.18736	15.1
259.14514	6.5
273.00748	1.6
295.21411	7.0
313.22528	5.5
330.18256	2.8
337.26163	7.6
344.45227	1.8
347.21011	2.3
355.27161	5.2
389.25595	1.9
425.25415	2.0
456.45102	1.9
539.39172	3.5
561.15485	2.1
573.37799	2.2
782.51935	100.0
783.52216	31.9
818.49658	5.8
819.50903	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	819.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75035	0.8
59.01390	6.9
61.98822	2.8
71.01374	2.9
82.27571	0.9
82.28123	0.9
85.02932	1.0
89.02515	1.1
99.04568	2.1
101.02438	2.0
113.02440	1.4
120.03761	0.9
120.04571	3.7
121.05350	2.7
122.06135	6.0
134.06137	3.1
135.06911	1.5
136.07683	13.9
137.02509	0.9
150.06880	3.3
158.02521	1.1
163.07652	1.1
171.11838	2.4
179.10751	2.0
181.04939	1.1
190.05139	6.5
191.05725	1.6
195.06737	0.9
198.09235	1.4
199.10049	1.9
214.12408	13.3
227.08284	2.5
228.08907	1.3
229.09904	6.0
229.35545	1.1
229.37474	1.1
230.11816	4.9
241.09846	8.3
242.10606	18.2
243.11072	1.3
257.12979	90.9
258.13315	9.6
285.04031	2.3
300.11066	0.9
301.11960	100.0
302.12305	9.4
323.10373	1.0
337.12033	2.2
339.31509	1.1
495.36783	4.8
517.18347	19.5
518.18933	4.7
590.53448	1.0
651.91754	1.0
657.41705	1.8
819.29150	1.4
819.42694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98843	15.8
69.11790	66.2
71.01392	68.3
73.02969	13.6
83.05159	6.7
85.02962	27.3
89.02451	50.4
96.96001	6.9
98.22537	18.1
99.00866	10.5
101.02447	26.0
113.02481	24.4
119.03515	9.6
122.06149	14.8
134.06129	84.4
148.56361	6.5
152.07224	22.3
152.42221	7.5
162.06990	8.6
194.47180	7.3
211.08665	11.7
225.10126	8.0
237.06697	9.0
239.89305	6.6
251.08348	11.8
265.09915	11.3
285.03888	7.5
301.15665	14.3
305.09259	8.2
314.12390	9.4
337.11942	26.2
346.15811	15.8
358.11792	12.3
372.13504	13.2
386.14996	9.0
460.18982	8.2
476.39023	8.3
517.18390	19.7
549.54291	7.9
697.28955	14.6
698.29279	10.5
732.29932	17.6
733.30994	13.8
745.29993	21.5
746.31989	8.7
755.29205	25.4
787.32037	76.5
788.31860	24.8
819.34778	91.8
820.34869	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.12772	1.1
71.01386	3.6
86.16708	1.2
89.02441	3.0
96.99332	3.3
101.02454	1.7
103.92036	1.2
125.02454	1.2
132.37386	1.1
137.79861	1.5
141.01723	55.3
228.72415	1.3
279.23257	6.4
307.34940	1.4
312.39542	1.2
361.23422	2.9
397.13605	9.5
398.13785	2.3
415.14456	1.8
419.11703	1.9
437.12866	2.8
438.03073	1.4
469.06558	2.9
662.27881	1.5
699.34973	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	821.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52015	1.4
59.01382	21.6
67.01918	2.1
68.99837	1.6
71.01395	7.8
72.99298	1.7
73.02951	2.0
83.01416	1.5
85.02955	3.4
89.02470	7.1
93.03477	2.6
95.01402	6.0
95.05038	1.2
97.02965	1.6
99.00884	1.9
101.02467	5.3
108.88004	1.4
111.00883	2.9
113.02469	3.6
121.02982	1.5
122.06134	4.0
123.00921	6.7
124.01716	2.0
125.02466	1.7
127.00443	1.4
134.06100	2.7
135.04578	1.7
136.07693	14.5
137.02490	10.4
138.03206	4.3
139.00369	7.2
139.04016	1.9
145.02969	3.3
147.04507	4.3
149.02502	3.2
150.03252	1.9
151.00365	15.3
153.01941	6.4
153.05605	3.3
158.02539	1.7
159.30273	1.4
161.02438	3.1
162.03217	3.3
165.01944	29.6
165.05624	2.2
166.02740	34.2
167.03311	1.7
174.03156	1.5
174.08876	1.2
175.03992	5.1
176.01173	2.0
176.04770	1.5
177.01949	6.8
177.05615	3.1
178.02731	1.2
179.03554	7.9
180.04294	19.4
181.05075	40.1
182.05388	1.5
190.05077	10.3
191.03499	12.4
191.05389	2.6
192.04327	8.9
193.05066	4.7
194.05890	2.8
195.06670	22.5
196.06912	1.3
203.03523	14.0
204.04237	2.3
205.05075	2.3
207.06676	9.2
209.08232	3.7
210.05385	5.0
217.05299	1.5
218.05872	13.6
219.06433	2.4
221.04565	3.8
225.07649	7.6
233.08208	13.6
235.06194	2.7
236.06880	12.5
251.09270	29.7
252.09573	3.5
285.03915	1.9
287.15082	3.4
337.07816	3.7
337.11954	4.1
343.07935	1.7
355.08182	2.8
357.09900	2.4
358.10535	4.8
373.12823	9.9
385.12921	1.6
385.30374	1.4
394.65176	1.6
402.09830	1.5
403.14233	2.2
417.12247	2.9
418.12534	2.6
431.13794	2.1
432.13928	2.4
433.15036	19.0
434.15451	2.0
517.18414	12.5
518.18793	4.2
611.21313	3.6
659.23505	100.0
660.23865	27.1
674.48511	1.6
686.25476	1.9
789.29913	4.0
821.29645	13.0
822.32855	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	822.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01472	0.8
57.03439	2.5
58.00594	1.4
58.53789	0.8
59.01093	1.5
59.01388	30.3
61.98809	1.2
64.03701	0.9
68.99827	6.1
69.03469	1.4
71.01391	26.1
71.28248	0.8
72.99308	2.4
73.02961	5.1
75.00878	2.1
81.03475	4.2
83.01403	3.7
83.05035	16.6
85.02960	13.5
87.00890	3.5
89.02457	13.3
93.03462	1.5
95.01404	3.1
96.96035	1.5
97.02994	1.4
98.09897	0.9
99.00893	6.5
101.02462	18.4
111.00905	2.9
113.02460	15.1
113.03192	1.4
113.98851	1.6
113.99603	17.2
115.00430	6.0
115.07667	2.5
119.03516	4.4
123.52044	0.8
127.00407	3.5
129.01974	3.0
135.03040	1.2
135.04564	1.5
137.09769	1.8
139.00453	1.6
139.07672	29.0
139.11266	1.8
140.08112	1.0
156.10344	2.8
157.01411	3.3
157.08725	2.0
158.11880	7.3
159.03061	0.9
161.04510	1.3
168.13905	1.7
169.01471	1.1
180.13947	3.9
181.12421	10.1
183.10278	2.3
191.05603	2.7
195.80482	0.9
199.09708	1.0
199.13428	1.7
205.26617	0.9
206.11876	1.8
224.12949	8.3
277.05707	21.4
278.05853	1.1
285.03992	0.9
314.08011	1.1
334.10672	0.9
337.07825	6.0
404.19345	5.6
484.25827	1.3
502.26605	22.6
503.27072	2.6
755.70654	0.9
782.60223	1.0
822.34119	100.0
823.34369	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.2
59.01390	40.1
61.98839	2.8
68.99831	6.8
71.01392	31.8
71.27248	1.4
72.99310	1.5
73.02958	8.6
75.00877	5.5
78.27356	1.3
81.03476	6.3
83.01401	5.0
83.05043	18.5
85.02959	16.4
87.00887	5.2
89.02454	16.2
93.03481	1.5
95.01381	5.0
97.02876	1.4
98.21755	3.9
99.00893	8.2
99.04522	1.7
101.02459	19.5
104.64506	1.6
111.00895	3.1
113.02470	16.0
113.99597	19.1
115.00422	7.2
119.03553	4.0
122.18143	1.4
125.02446	2.0
127.00455	2.1
129.01952	2.3
130.59033	1.8
135.03038	3.1
139.07664	17.4
143.03545	1.7
145.01564	1.6
154.99844	2.1
156.10432	1.4
157.01491	3.9
157.08698	1.6
158.11880	4.6
161.04619	1.5
165.05501	2.6
174.01779	3.1
179.05431	1.4
180.13959	3.3
181.04988	1.4
181.12357	10.8
183.10204	2.0
187.02599	2.0
191.05695	3.3
199.13547	1.6
206.11931	1.8
224.12933	7.6
228.76804	1.7
243.69087	1.4
269.04803	1.5
277.05670	23.2
285.04245	6.0
286.04611	2.4
295.11035	2.5
337.07703	20.6
338.08258	2.1
350.14764	1.9
404.19421	3.5
502.26590	20.0
503.27200	4.0
591.33862	5.5
622.04016	1.5
660.36139	13.5
661.36816	4.2
716.42261	1.7
778.38861	5.2
790.30170	3.5
822.34070	100.0
823.34277	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98834	5.4
66.94074	1.6
69.11349	12.6
71.01389	33.1
72.99303	1.7
73.02947	6.0
83.01395	6.4
85.02964	15.6
87.00875	3.5
89.02442	15.6
95.01412	4.6
96.74686	1.6
97.02967	2.2
99.00930	3.3
101.02450	15.9
113.02452	25.0
119.03517	6.6
124.01682	1.7
125.02446	6.3
143.03502	6.0
161.04529	8.0
179.05685	3.4
251.62082	1.7
261.68149	2.4
297.37192	1.8
471.33356	5.3
479.94568	1.8
615.37994	10.5
616.38550	2.3
633.38599	40.1
634.39008	10.9
651.40240	12.3
652.40613	2.2
675.39539	5.8
693.40381	8.5
694.41113	3.0
823.40759	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	823.5562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
61.22357	0.8
61.98851	2.7
62.57326	0.7
71.01397	2.7
81.03468	20.0
83.05038	46.3
84.05344	1.0
99.04543	2.8
100.07699	6.4
101.02472	1.9
113.02448	1.2
145.02988	1.7
145.10794	0.9
154.89403	0.8
157.01804	0.8
163.03926	1.1
165.05585	1.5
179.03481	1.4
179.05553	1.3
195.06770	1.4
199.18198	8.0
200.18504	1.0
225.16098	8.9
243.17174	20.1
244.17413	1.3
269.15298	1.4
285.04086	1.3
353.20755	4.8
405.36801	1.0
451.32990	2.5
469.33957	15.6
470.34412	2.4
569.04633	0.9
579.37921	2.5
627.73926	1.0
695.51160	4.3
755.18658	1.1
805.54938	1.3
823.55603	100.0
824.55847	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.244
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65636	0.3
75.09667	0.3
79.80464	0.5
92.04535	0.3
99.92596	11.5
114.93451	0.5
116.92875	100.0
117.92889	6.9
167.44514	0.4
215.47359	0.4
235.34091	0.4
284.03290	0.8
285.04132	1.5
426.40067	0.3
707.30597	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	2.1
59.01387	94.0
60.01714	2.1
62.66110	1.6
69.18765	3.3
69.19173	8.8
69.96372	1.8
71.01392	42.7
72.99326	3.2
73.02956	41.3
73.78969	1.5
75.37924	1.9
83.01398	9.1
85.01829	2.0
85.02955	8.9
87.00890	1.5
89.02458	15.5
89.15314	1.8
89.26755	1.6
91.99998	2.0
96.18866	1.6
99.00886	2.5
101.02454	46.1
113.02454	16.5
119.03543	7.8
131.03531	3.7
132.81955	2.0
136.06483	1.9
143.03526	2.6
149.04553	3.9
161.04564	11.9
203.05647	2.3
221.06842	2.7
226.67648	1.9
318.02957	2.0
827.44531	100.0
828.44928	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.9
59.01387	34.4
60.99312	2.8
65.69400	0.3
69.28071	1.0
69.28481	2.3
70.84446	0.4
71.01391	21.5
72.01730	0.7
72.99308	1.6
73.02953	3.9
75.00857	0.4
83.01394	3.3
83.01824	0.5
85.02483	0.7
85.02962	9.6
87.00891	1.0
89.02456	10.4
92.52464	0.4
95.01397	2.1
98.22652	0.5
99.00893	1.8
101.02458	15.5
102.02844	0.6
109.85596	0.4
113.02470	7.1
119.03545	2.5
203.53987	0.4
204.28209	0.4
314.70203	0.4
401.16306	0.4
408.21786	0.4
665.39459	1.0
749.98816	0.5
827.44446	100.0
828.44745	34.8
829.44916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.5
59.01384	24.9
60.99301	2.6
61.98827	1.0
62.62484	0.5
71.01391	19.9
71.26267	1.0
72.99312	2.6
73.02949	3.4
83.01412	2.6
85.02967	7.9
87.00889	1.1
89.02457	9.1
95.01419	1.3
99.00896	1.3
101.02449	13.4
107.56362	0.6
113.02455	6.1
119.03516	3.3
127.21193	0.6
150.03258	1.4
160.01688	0.8
165.01929	1.0
165.05592	0.8
179.03528	0.6
179.07155	0.7
180.04445	0.8
181.05017	0.6
190.52982	0.6
191.05597	0.8
195.06650	1.3
197.54253	0.6
265.62314	0.6
289.89377	0.7
309.33298	0.7
464.76810	0.7
563.33173	0.7
665.39252	1.4
789.52802	0.7
827.44434	100.0
828.44781	33.2
828.60760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00612	0.9
59.01385	24.0
63.22074	0.8
70.24760	2.7
71.01392	18.1
72.99316	2.0
85.02969	3.2
89.01953	1.6
89.02457	18.2
95.01379	1.5
98.13515	0.8
101.02439	7.8
108.02189	8.5
109.02969	1.1
113.02449	5.9
119.03517	7.0
121.02995	2.0
123.04504	6.3
127.80950	0.9
131.03586	1.0
131.05017	1.0
134.03790	1.1
135.04115	0.8
143.03517	2.0
143.05029	1.8
145.02986	6.1
146.03755	8.0
147.04572	1.4
149.04559	0.9
158.03758	18.3
159.04478	2.8
161.04597	3.3
161.06091	9.0
171.04425	1.0
173.06120	0.9
179.05626	16.2
179.07076	0.7
183.04587	0.9
189.05592	9.2
191.05667	3.3
194.50705	0.9
197.26991	0.8
201.05624	2.9
202.06250	1.0
235.07660	1.5
236.08405	1.6
247.07549	1.6
249.05731	1.4
251.07303	1.9
262.06366	1.7
263.07205	3.6
264.07788	2.1
274.06378	1.3
275.07092	6.0
276.07913	3.8
277.08505	2.0
279.06641	2.7
280.07416	21.6
281.07950	3.5
282.08966	4.9
290.05951	1.1
291.06635	9.1
292.07437	18.8
293.07843	3.4
295.09790	40.2
296.10223	4.7
297.11426	4.6
307.09802	44.8
308.10242	4.8
310.08505	1.5
313.10858	1.2
325.10852	100.0
326.11154	13.0
405.51938	1.0
455.29700	0.9
457.15060	1.5
475.16223	1.9
487.16165	10.6
488.16843	1.1
505.17029	2.8
529.15088	0.9
534.80750	0.9
667.22614	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	829.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01721	1.0
68.67703	0.6
71.01391	12.5
71.28338	1.4
73.02956	13.1
74.39101	0.8
75.00877	0.9
81.66119	0.7
83.01412	3.8
85.02986	3.1
87.00896	1.2
89.02477	2.4
95.01383	1.4
101.02454	11.7
109.39254	0.7
113.02455	6.0
114.77480	0.7
119.03568	1.2
119.46715	0.7
131.03566	1.2
134.25723	0.6
139.07739	1.0
143.03587	1.1
149.04616	2.5
161.04568	5.4
191.05629	1.1
243.36151	0.7
269.10388	1.6
306.16785	0.9
311.11649	0.9
387.20395	1.5
394.58679	0.8
399.17017	2.0
409.96906	0.8
429.21860	2.3
475.08060	0.8
682.46472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.9
59.01387	55.4
61.98835	1.8
71.01389	58.7
71.27876	2.2
72.99311	7.6
73.02949	9.3
75.00890	8.0
83.01402	6.7
85.02964	24.9
85.25859	1.4
87.00899	5.4
89.02454	28.1
95.01414	7.3
97.02932	2.3
97.08995	1.6
99.00921	5.0
101.02457	38.5
110.94253	1.9
111.00877	2.7
113.02459	26.9
119.03513	8.9
125.02485	2.7
129.20685	1.5
133.02975	2.8
133.25552	1.7
135.03038	4.4
143.03496	2.2
150.03242	1.6
151.00446	2.8
151.17279	1.6
154.99890	4.9
161.04620	6.7
165.04102	3.4
179.05666	2.8
191.05650	1.7
231.16136	1.6
255.03017	1.9
283.02341	1.7
284.03271	3.4
285.04089	51.0
286.04660	4.1
338.72412	1.6
487.33264	2.7
505.34320	5.0
535.20715	1.7
552.22992	1.7
613.19098	2.0
649.38831	4.7
667.39270	22.4
668.40070	5.8
673.21423	12.7
674.22064	5.9
829.44537	100.0
830.44897	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	4.2
59.01385	100.0
61.98837	10.4
66.87511	3.3
70.86230	3.1
71.01391	94.4
71.26841	5.5
72.99305	8.7
73.02974	17.2
73.90343	2.9
77.79623	3.7
83.01407	10.7
85.02969	31.9
87.00880	5.9
89.02454	51.4
90.63317	2.9
95.01411	6.4
96.96011	4.2
99.00916	6.7
101.02463	48.0
113.02467	33.1
119.03524	17.5
124.29836	3.1
135.30161	3.4
161.04576	11.8
174.93289	3.3
179.68658	3.5
195.06386	3.9
382.17496	4.2
403.52585	3.8
426.19354	3.6
447.11514	3.7
487.32828	49.0
488.33200	9.5
649.38550	9.8
667.38995	23.1
731.93518	3.9
827.36682	3.5
829.44611	90.3
830.45117	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.6
59.01385	65.0
61.98825	3.1
67.63533	1.3
68.99036	10.4
68.99441	2.9
70.21137	1.1
71.01389	66.3
72.99320	4.8
73.02940	12.5
75.00874	1.8
83.01395	8.4
84.46613	1.2
85.02477	2.1
85.02959	25.1
86.00108	1.4
87.00891	7.9
89.02459	31.1
91.14234	1.3
95.01409	6.0
97.02972	1.5
99.00896	5.3
101.02454	40.5
108.89185	1.2
111.00860	2.7
112.35942	1.2
113.02454	24.3
119.03501	9.7
125.02483	2.3
129.01927	2.0
131.03481	2.8
135.03081	1.9
135.04480	1.6
141.90378	1.4
143.03493	2.0
148.05301	6.6
151.00360	1.3
159.03003	1.9
161.04591	6.0
163.07672	5.0
179.05688	3.2
191.05702	3.0
193.05045	1.3
221.06673	1.5
284.03156	2.2
285.04016	3.8
409.96146	1.4
487.33188	3.1
505.34091	4.2
649.38306	3.5
667.39270	22.3
668.39862	4.4
829.44470	100.0
830.44775	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.9
59.01382	45.9
61.98832	1.6
65.52877	0.9
65.61674	0.8
68.99832	0.7
69.03450	1.5
71.01385	49.9
72.01736	1.2
72.99316	3.2
73.02950	9.9
75.00880	1.5
83.01394	7.2
85.02959	23.6
86.03312	0.9
87.00887	4.1
89.02454	20.0
95.01382	4.6
97.02974	1.6
99.00895	5.4
101.02451	32.2
102.02769	0.8
105.61084	0.8
111.00854	3.7
113.02452	18.7
114.00139	0.7
119.03519	6.2
125.02485	0.9
129.01979	2.0
131.03543	1.5
141.01932	0.7
143.03571	1.3
159.03014	1.7
161.04575	4.4
175.90846	0.7
179.05754	1.2
191.05649	0.8
255.03059	1.0
284.03162	0.8
285.04007	1.6
345.30298	2.3
453.29227	0.7
463.31259	0.9
500.40347	0.7
507.35522	3.7
508.35773	1.0
669.40710	19.9
670.41254	3.8
831.45984	100.0
832.46289	28.9
832.62299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	3.1
59.01388	46.6
61.98834	1.0
64.59972	0.8
69.03458	0.9
70.87156	0.8
71.01390	41.5
72.99326	3.5
73.02950	10.3
73.08005	0.8
83.01398	6.5
85.02953	17.9
87.00865	4.7
89.02457	18.7
92.24762	0.8
95.01386	2.9
99.00880	4.4
101.02451	27.3
111.00864	5.5
113.02465	15.9
114.89521	0.9
119.03516	7.0
125.02462	1.2
131.03543	1.1
134.03760	0.9
137.02470	1.1
143.03555	1.0
159.03029	1.8
161.04637	2.9
165.02002	1.1
165.05568	1.4
179.05637	0.8
188.88168	0.8
191.05678	1.5
195.06725	2.8
195.89015	0.8
207.51897	0.9
214.52689	0.9
255.03012	1.2
285.03943	1.3
303.14362	1.2
345.30103	2.8
352.79172	1.0
372.88425	1.0
507.35049	3.0
651.39630	1.9
669.40778	12.3
670.41278	3.1
831.46027	100.0
832.46484	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4607
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.7
59.01384	56.5
60.01718	0.9
61.98827	1.0
69.03461	1.1
69.11437	2.2
69.11858	2.8
71.01388	59.4
72.01723	0.9
72.99319	4.0
73.02955	12.2
75.00880	1.4
81.04113	0.6
82.63385	0.6
83.01404	10.0
83.03561	0.6
84.57143	0.7
85.02959	26.1
86.03332	0.8
87.00874	4.6
89.02453	24.9
95.01396	5.7
97.02984	1.5
98.21804	1.4
98.24843	0.6
99.00895	5.9
101.02455	35.8
102.02798	0.6
110.48878	0.6
111.00898	3.4
113.02467	23.0
114.02804	1.0
115.82692	0.6
119.03520	6.8
124.01661	0.6
125.02492	1.7
128.26237	0.6
129.01971	1.3
131.03513	1.8
143.03506	2.0
159.03021	2.8
161.04593	4.3
163.07692	0.9
179.05608	0.9
190.48708	0.5
191.05652	0.9
221.06720	1.0
246.41141	0.5
256.95410	0.6
275.31412	0.5
284.03583	0.8
285.04181	0.9
297.68967	0.6
345.30237	2.2
507.35474	5.6
651.39087	1.4
669.40674	29.3
670.40735	6.5
759.99451	0.7
831.46045	100.0
832.46320	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.8
61.98831	4.5
71.01400	12.3
71.28446	2.2
71.28844	4.3
73.02947	3.0
83.01386	3.0
85.02960	9.3
87.00868	2.2
89.02470	5.9
96.96065	3.0
99.04533	2.6
101.02451	8.1
113.02456	4.2
113.99632	4.5
123.45158	2.4
149.06136	7.7
150.06882	45.9
153.97917	2.9
162.06818	2.5
163.07652	17.6
164.08437	8.8
178.10066	2.8
179.10760	14.5
228.09203	2.7
239.11966	13.2
241.09827	67.9
242.10210	5.9
243.11461	2.6
256.12170	40.7
257.12579	2.9
277.05679	2.7
285.04193	4.9
300.11157	5.6
315.13535	88.7
316.13959	8.0
329.23425	6.4
397.23648	2.5
448.32224	9.2
462.14294	2.4
462.33722	4.4
463.34271	11.7
464.19507	2.3
490.33224	3.6
491.34070	4.1
508.34149	6.4
509.34952	24.3
517.18097	10.9
789.32385	4.6
815.05450	2.5
833.29871	4.8
833.45599	100.0
834.46350	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	833.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.3
61.98846	2.3
62.63574	1.3
64.26409	1.1
71.01390	7.5
73.02961	2.4
85.02962	5.2
87.00871	2.1
89.02467	3.6
98.21774	2.9
99.04527	1.7
101.02479	4.4
113.02489	2.4
119.03471	1.5
149.06111	5.4
150.06882	48.1
150.98460	1.1
151.07240	2.4
161.04533	1.2
162.06862	5.8
163.07671	23.4
164.08382	5.1
176.08455	3.6
177.09271	4.5
178.10020	3.7
179.10785	14.1
191.05693	1.6
283.22946	2.1
284.03406	2.0
285.04099	9.4
327.25558	2.9
329.23380	5.0
337.08032	1.3
448.32101	9.8
449.32721	1.3
462.33652	7.2
463.34232	19.9
464.35068	2.8
489.32306	2.3
490.33069	6.7
491.33780	3.9
493.34631	1.2
507.33292	1.9
508.33957	9.6
509.34918	29.8
510.35526	4.7
648.52808	1.2
653.39197	2.6
671.40167	13.1
672.40460	3.1
833.45630	100.0
834.46021	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.1
61.98827	1.5
71.01395	11.0
72.20662	0.7
72.99323	1.0
73.02956	2.6
81.23251	0.7
83.01393	1.8
85.02950	6.1
86.00120	0.9
87.00892	3.0
89.02455	3.6
95.01382	0.8
96.96043	1.3
98.22589	1.4
101.02466	5.7
113.02451	2.9
113.06130	1.0
119.03513	1.6
133.03041	1.3
135.08167	1.0
136.05263	1.1
148.05354	0.8
149.06078	5.2
150.06885	38.5
151.00369	1.4
151.07256	1.5
155.10759	1.2
161.09753	1.2
162.06883	2.6
163.07669	12.5
164.08437	10.6
171.10234	0.8
176.08543	1.2
177.09204	1.6
177.83463	0.8
178.10030	2.2
179.10793	18.0
191.05585	1.0
195.74509	0.8
215.13042	1.5
229.46400	0.8
284.03323	2.9
285.04071	24.7
286.04446	3.7
313.23999	1.3
337.07996	0.9
362.70847	0.8
430.30945	1.0
445.33469	1.2
448.32016	3.2
463.34470	7.3
464.34763	1.1
489.31720	0.9
491.28607	2.3
491.34470	1.2
509.34906	2.5
610.37775	1.1
625.39673	2.5
653.39209	1.4
670.38782	1.8
671.40070	17.3
672.40692	3.0
833.30640	3.3
833.45459	100.0
834.28589	2.2
834.45752	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.9
62.58834	2.6
67.61295	3.0
70.64328	4.5
70.64631	3.2
71.01389	6.9
81.65312	2.9
85.02957	5.7
87.00878	2.6
101.02434	6.5
113.02490	3.1
149.06169	4.3
150.06883	34.5
151.07288	3.4
159.82173	2.7
163.07674	13.4
164.08469	10.0
179.10764	15.6
304.88953	2.6
393.46582	2.8
418.07611	3.0
448.32141	4.4
463.34274	6.4
509.35046	5.0
625.39508	3.5
671.40582	8.3
833.45654	100.0
834.45526	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.81367	0.6
61.98829	2.8
65.00326	0.7
68.51937	0.6
69.31321	4.4
71.01375	2.5
76.59098	0.5
77.35807	0.6
83.01415	1.6
85.02977	1.0
88.98821	0.8
89.02441	0.7
101.02445	0.9
107.01405	1.6
113.02493	0.7
117.81623	0.7
125.02396	0.7
133.02957	4.5
135.03056	0.8
137.02486	0.6
147.04665	0.6
149.02486	0.9
151.00389	3.7
165.01978	1.6
166.02678	0.9
175.04007	3.1
199.04079	1.9
203.03656	0.8
217.05078	0.8
225.07803	0.6
227.12950	0.8
233.08318	1.3
241.04976	1.4
256.03683	0.9
284.03278	10.3
285.04080	100.0
286.04422	8.7
489.10638	5.5
490.10727	0.9
579.41815	0.7
657.22064	1.7
673.20978	1.0
699.22717	2.4
717.24060	14.4
717.36383	0.6
718.24469	3.9
803.31268	2.2
835.26764	13.3
835.44757	1.1
836.27502	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	835.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	32.5
66.29072	1.2
69.62029	6.7
71.01391	16.9
72.01734	1.3
72.99292	1.3
80.05078	2.9
83.01400	2.6
85.02978	6.3
87.00890	2.1
89.02460	14.8
98.21838	1.7
101.02450	9.8
104.36295	1.4
106.06656	6.3
108.04551	1.8
113.02457	7.8
119.03505	3.4
122.06152	12.3
126.85664	1.3
129.77670	1.2
132.04581	2.5
134.06149	32.7
136.07686	1.6
141.97389	1.4
148.04060	2.4
152.07161	6.2
160.04074	1.6
188.07123	3.0
190.05183	2.7
211.08745	1.9
213.10394	8.1
223.08855	1.4
224.09482	1.4
225.10263	2.1
225.74052	1.3
226.11043	2.0
227.11966	2.2
233.82445	1.4
235.08723	1.8
237.10349	2.9
239.11870	8.0
241.13484	4.4
247.41229	1.2
249.10341	2.4
250.07428	2.9
251.08224	4.2
251.11931	3.2
252.09056	3.2
253.09843	6.2
263.08228	4.5
264.09131	2.8
265.09830	4.6
267.11411	5.3
276.81964	1.2
277.09808	8.3
278.06985	4.5
278.10587	6.4
279.07767	5.6
279.11008	6.1
280.11755	1.4
281.12653	1.3
285.04147	2.2
285.12466	11.9
291.07855	2.0
291.11331	2.4
292.08636	2.1
293.09396	13.8
293.12762	2.0
294.10028	4.7
295.10873	7.6
305.09354	2.6
306.09973	3.2
307.10873	4.7
309.12369	2.8
314.12531	1.4
321.08795	2.5
333.08801	1.7
339.09799	4.3
351.09998	3.8
356.13586	1.5
357.14722	2.5
358.15509	2.9
384.13458	2.9
398.15067	3.1
400.16702	7.5
410.15363	1.6
412.16675	2.3
468.15692	2.5
486.16580	3.4
505.23172	1.5
620.22607	3.3
621.22632	2.6
638.23639	7.2
639.23877	1.9
648.22119	4.9
649.22363	5.4
666.23035	32.2
667.23022	7.5
680.24365	5.4
681.25549	2.2
698.25781	2.6
712.27209	13.5
713.27295	2.0
715.25055	1.6
727.30127	7.4
728.30695	2.9
771.28986	56.8
772.29108	18.8
803.31549	100.0
804.18011	2.2
804.31995	33.5
835.34052	17.2
836.34473	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	835.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	61.1
60.87667	3.4
61.98554	3.2
61.98833	21.1
69.24355	9.0
69.24755	19.3
71.01391	40.6
80.05047	5.1
83.42907	3.4
85.02968	10.1
89.02440	24.4
101.02457	24.4
104.05138	5.2
106.06650	9.9
112.68719	3.4
113.02467	13.0
119.03531	9.3
122.06137	23.2
130.06596	4.4
134.06142	59.5
136.07791	3.9
141.01917	4.1
146.06198	5.0
152.07172	18.0
165.05525	3.3
180.06723	6.1
202.67455	3.7
213.10358	13.4
225.10486	8.9
237.10699	4.2
239.11942	12.7
241.13608	7.8
249.10245	6.8
251.11940	8.3
253.09999	6.8
262.07214	3.5
263.08316	4.8
265.09821	8.2
267.11499	5.6
277.09805	9.7
278.07230	4.8
278.10663	9.9
279.07751	9.9
279.11032	7.1
285.04251	16.8
285.12415	21.5
293.09357	15.8
293.12604	5.0
294.10092	8.1
295.10904	12.6
305.09647	3.8
307.10922	9.0
309.12555	5.6
314.12616	5.9
339.09976	8.0
343.12897	4.2
358.15564	6.6
370.11871	4.0
400.16611	19.2
412.16913	5.4
486.16580	5.1
638.23151	7.8
648.22198	4.9
649.22955	11.7
666.22821	22.4
680.24194	10.2
681.24719	5.2
698.25720	11.7
712.27435	22.8
713.27478	4.0
727.29669	26.1
728.30029	8.1
765.85272	4.0
771.28998	100.0
772.29010	29.5
803.31567	93.1
804.31757	29.4
835.34247	61.1
836.34576	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	836.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	5.1
59.01386	66.5
61.82949	2.0
61.98830	3.7
71.01385	39.0
72.99307	6.2
73.02963	18.5
73.06836	1.8
76.94250	2.2
80.52257	2.0
81.03515	2.2
83.01392	6.1
85.02957	70.6
86.00095	3.1
87.00896	11.4
87.04526	2.4
89.02463	24.5
96.96027	3.9
99.04462	2.1
101.02454	22.2
103.04021	26.7
113.02460	52.0
119.03497	10.5
131.03523	50.1
143.03569	6.2
145.05083	4.8
151.11339	3.2
153.16504	2.0
163.06146	100.0
164.06447	2.5
180.81403	2.4
185.46213	2.5
187.06133	2.7
205.07158	9.6
229.06635	2.5
231.05067	3.9
247.08263	49.3
257.19193	2.3
277.09393	9.4
283.02505	4.9
284.03467	3.3
285.04010	2.8
379.26627	2.4
393.27939	6.0
395.29434	3.3
405.28473	2.2
407.25851	11.6
421.27603	8.2
423.29095	56.0
424.29297	10.7
441.30035	39.4
442.30438	8.4
469.29520	2.8
471.31213	74.8
472.31479	12.7
485.29108	3.8
543.33289	4.9
557.31573	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	837.298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
61.98824	10.8
64.18171	2.4
67.51322	2.5
68.99837	19.8
70.79948	3.5
70.80302	4.6
71.01358	2.4
79.81313	2.6
95.01392	4.9
99.15627	3.0
105.03515	3.0
107.13646	2.4
108.02203	4.2
109.02964	5.0
116.05928	2.7
116.92934	2.9
121.02953	6.5
122.03773	8.7
123.00909	17.8
123.04536	3.3
125.02471	8.8
137.02466	9.1
138.03261	37.2
139.04018	6.3
146.03725	3.2
149.02419	15.0
150.03250	43.1
151.03960	5.9
153.01956	15.8
153.05611	40.6
161.02502	5.5
162.03264	5.5
163.00351	3.2
165.01949	19.2
165.05598	36.9
166.02707	8.0
168.04315	39.2
175.00395	10.7
176.01160	33.5
177.01947	20.9
177.05560	4.8
178.02765	16.6
179.03450	6.5
179.07114	17.6
180.04346	9.1
181.05113	9.4
190.89671	2.7
191.03511	31.0
192.04317	47.5
193.01480	23.0
193.05113	21.7
195.06741	18.4
205.04980	3.1
207.06677	45.7
208.03853	32.0
208.07008	5.3
208.93199	2.6
209.04492	4.8
209.08354	2.8
223.06145	100.0
223.08353	5.4
224.06497	5.7
225.07732	5.1
238.04817	3.1
246.41820	2.6
295.29691	2.9
415.14090	3.2
495.45880	2.9
565.20514	5.0
640.21881	16.5
641.21777	6.1
725.24274	3.0
773.67542	2.9
789.26239	3.5
837.29620	26.2
838.29333	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	837.377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.5
58.94416	0.5
59.01387	11.5
67.01893	0.5
68.99830	0.8
69.03386	5.3
71.01392	16.3
72.99323	3.2
73.02927	1.1
75.00886	12.1
75.84770	0.5
77.65633	0.5
79.51167	0.7
80.82653	0.4
81.03490	0.7
83.01411	1.3
85.02966	16.5
87.00894	5.5
89.02456	5.3
91.04016	0.7
91.05032	0.9
91.05546	7.6
92.05919	0.6
93.03475	1.8
95.01403	3.8
98.21717	0.9
99.00909	5.2
101.02476	1.0
103.00384	1.9
111.00911	0.7
113.02467	24.5
115.00389	1.3
117.01970	2.1
117.03454	2.3
121.02970	2.0
129.01956	1.4
135.04544	5.3
136.04947	0.4
137.02460	1.3
138.05623	4.4
146.29922	0.5
157.01318	0.8
175.02477	1.5
191.05675	0.6
204.06969	0.5
205.07126	1.2
207.05103	1.5
231.05199	1.0
249.06197	20.4
249.08818	1.1
250.06561	1.8
267.07245	59.4
268.07574	3.4
385.11450	100.0
386.11786	10.8
387.09634	0.6
546.20941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.09569	0.7
61.98838	1.3
71.01394	5.2
73.02982	0.6
83.01405	0.7
85.02977	1.5
89.02452	1.0
96.96024	2.7
98.22552	1.4
99.04536	15.8
100.04925	0.8
101.02461	1.5
109.02988	1.0
113.02438	2.4
117.03461	1.6
119.03556	1.0
123.04543	0.6
125.02433	0.8
132.02187	2.4
133.02977	34.3
134.03824	3.5
135.04544	42.6
136.04871	2.4
137.02446	2.2
147.04590	0.9
148.05275	0.8
149.06096	2.4
150.03218	0.8
159.04523	1.1
160.01712	1.5
161.02466	100.0
162.02806	4.8
175.03990	3.1
177.01903	1.1
177.05588	8.4
178.02762	1.1
179.03516	34.8
180.03937	1.9
186.02946	0.7
194.05858	2.0
195.06631	1.3
203.03555	2.4
209.08250	2.6
216.20795	0.6
220.03772	1.3
221.04572	6.2
233.04524	0.7
263.05637	1.9
280.05887	1.8
323.07733	56.8
324.07980	3.9
515.15582	8.9
516.16016	1.0
533.16699	47.3
534.16998	7.4
615.20868	64.6
616.21210	13.3
705.07135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	29.7
69.03444	1.2
69.93616	3.4
71.01391	37.0
72.99304	2.9
73.02956	7.1
81.03451	1.6
81.22009	1.0
83.01408	4.9
85.02962	21.8
87.00883	3.1
89.02456	19.1
91.36036	0.9
95.01399	3.8
97.03001	2.4
99.00890	13.9
99.04533	57.0
100.04858	2.0
101.02455	27.7
109.02984	1.5
111.00886	1.4
113.02467	28.7
119.03525	9.7
125.02468	4.9
131.03537	2.0
137.02466	2.0
143.03525	8.2
149.04518	1.0
159.02965	1.6
161.04575	24.3
179.04205	1.1
179.05574	6.4
191.05615	4.7
219.45474	0.9
221.06700	5.1
245.06728	2.2
261.09900	4.7
263.07660	2.4
323.09863	100.0
324.10229	8.1
337.09244	1.1
351.94174	1.0
423.15250	1.9
515.28857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.3
63.51833	0.8
67.41343	0.8
69.03455	2.3
69.18680	6.7
71.01390	42.0
72.99312	2.1
73.02950	5.7
80.21201	0.7
81.03486	1.5
83.01401	3.6
85.02957	8.9
87.00888	4.2
89.02457	45.2
90.02798	0.9
95.01410	3.2
96.26867	0.7
97.02961	4.7
99.00910	1.7
99.04533	100.0
100.04872	2.5
101.02450	30.2
102.02805	1.4
111.00913	1.4
113.02463	16.0
119.03524	15.2
125.02469	16.8
131.03474	4.8
139.04063	1.8
143.03513	7.7
149.04591	1.9
159.03014	1.1
161.04561	10.2
178.23962	0.8
179.03484	1.1
179.05635	18.0
191.05722	1.0
203.05510	1.0
209.08151	2.7
221.06702	12.7
222.07034	0.7
245.06696	0.8
261.09821	7.7
262.10144	1.2
263.07791	3.8
278.70523	1.0
323.09872	89.4
324.10229	6.8
423.15161	13.3
424.15540	1.8
533.18683	6.0
534.18982	1.0
615.23029	9.1
616.23553	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	839.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.0
59.40746	1.8
61.98836	52.0
68.99819	2.1
70.80309	3.4
80.03059	1.9
93.03471	3.2
94.03096	2.1
109.02930	5.5
121.02954	4.3
122.03764	16.5
123.00906	3.8
128.95784	2.3
134.03792	2.6
136.01654	8.4
137.02466	29.2
149.02464	25.6
149.06053	2.3
149.51799	2.3
150.03246	81.8
151.00406	5.8
151.04041	25.0
153.01967	2.1
153.05573	4.5
159.47583	2.1
161.02434	2.9
164.04776	5.4
165.01949	100.0
165.05589	76.7
166.02695	18.2
166.05963	2.6
167.03204	2.2
168.04289	3.5
175.04015	2.7
177.01945	3.0
178.02641	3.7
179.03542	19.2
179.07164	9.8
180.04298	59.9
181.05089	30.6
191.03496	3.5
192.04309	3.8
193.05179	2.6
194.05858	3.9
195.06645	99.9
196.06981	6.6
205.05125	2.9
207.06621	4.3
208.03795	2.0
209.08234	6.4
210.05357	8.8
215.39235	2.1
223.06129	7.7
225.07706	51.3
266.40237	2.3
267.99734	2.3
282.05301	2.5
341.10214	2.5
387.14819	2.9
416.14700	2.6
417.15668	14.9
565.20789	16.6
595.21820	18.2
596.22180	4.5
613.22711	3.2
614.56085	2.5
643.24023	2.8
743.27148	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	839.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	63.8
61.98838	40.9
69.03485	3.4
71.01389	51.9
72.99312	8.1
73.02953	4.9
73.72288	2.9
83.01445	4.1
85.02962	26.7
85.41846	2.8
87.00909	5.7
88.58360	2.9
88.98837	6.6
89.02452	25.5
95.01447	3.9
97.02985	5.9
99.00892	23.0
99.04536	96.1
100.04889	3.8
101.02444	23.9
113.02480	25.4
119.03552	21.1
119.08733	3.7
125.02473	8.2
131.03459	3.3
135.04555	4.0
137.02518	3.0
137.09738	17.7
143.03561	9.5
150.03181	3.4
161.02431	6.2
161.04617	8.6
161.09760	6.5
163.07732	5.7
177.05533	7.4
179.05614	20.4
179.10846	13.5
181.08727	20.0
197.11853	29.7
223.09740	20.7
241.10831	62.1
242.11194	5.5
283.11954	4.9
301.45093	2.8
323.09924	7.9
367.14114	6.9
398.99399	3.3
431.92307	2.9
441.56320	3.2
547.20483	45.6
547.84351	3.9
548.20990	4.3
757.30103	4.4
839.33429	100.0
840.33691	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	839.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82815	0.7
59.01386	100.0
59.23582	0.7
60.01707	1.1
61.98846	1.5
66.67962	0.8
69.03471	1.8
69.88277	0.8
69.88616	3.5
71.01391	45.2
72.01734	0.9
72.02175	0.8
72.99306	2.5
73.02954	56.1
75.00900	1.6
83.01398	14.9
85.02966	6.0
87.00893	1.8
89.02465	10.0
95.01424	1.2
101.02452	48.4
102.02832	1.0
113.02467	17.3
117.01903	1.0
118.76351	0.7
119.03531	4.4
119.69825	0.8
125.02460	2.1
131.03522	5.1
143.03500	4.3
147.11934	0.8
149.04576	9.4
150.03217	0.9
150.05092	0.8
150.41280	0.7
155.03572	1.4
161.04576	16.4
203.05643	1.7
221.06705	2.9
425.24423	0.8
428.50595	0.8
556.00061	0.8
631.37744	1.0
634.87469	0.8
649.38171	1.3
706.15222	0.8
745.42700	0.8
839.39722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98826	2.0
65.00390	1.9
69.03453	4.1
69.16386	4.6
69.16800	11.9
71.01386	54.6
72.99310	4.9
73.02954	12.0
74.86083	1.7
75.00867	4.8
83.01397	9.6
85.02956	27.1
86.00126	2.6
87.00891	7.6
89.02452	16.8
95.01402	6.2
95.71033	1.7
96.96024	2.4
97.02946	5.7
99.00892	4.8
101.02452	28.8
111.00896	4.4
113.02470	33.7
115.04056	2.3
119.03490	4.9
124.01654	3.3
125.02421	12.2
129.01961	3.0
137.02457	2.9
143.03557	6.6
143.10800	2.5
161.04567	4.7
179.05652	3.8
191.05531	3.0
285.04102	5.2
289.95218	2.0
343.28894	3.1
487.32767	13.0
505.33746	6.5
631.37183	31.8
632.37000	10.0
649.38214	64.5
650.38483	16.1
667.39044	19.2
668.39624	3.8
691.38940	14.7
709.40283	25.6
710.40259	7.3
751.40588	3.1
795.32843	5.8
830.51874	2.3
839.39520	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	51.5
60.01719	0.5
60.99316	3.7
61.98835	0.5
64.70947	0.2
69.20215	1.5
71.01392	17.4
72.01738	0.3
72.99306	1.6
73.02955	1.8
75.00870	0.3
83.01401	2.3
85.02961	6.1
87.00906	0.7
89.01887	0.6
89.02454	10.9
95.01399	1.6
99.00919	1.0
101.02451	8.2
113.02464	4.9
119.03505	2.9
131.03532	0.3
135.03040	0.3
139.00443	0.3
150.03235	0.3
165.01988	0.3
182.18251	0.2
182.57680	0.2
191.05672	0.6
195.06619	0.2
283.02460	0.4
285.04050	0.6
417.33444	0.3
422.69498	0.2
422.75247	0.3
489.11072	0.3
665.39362	0.3
677.39563	0.9
779.42657	2.1
780.43024	0.5
797.43396	0.8
839.44434	100.0
840.44745	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	2.1
59.01387	35.7
60.99319	3.3
61.29858	0.9
61.98832	10.0
70.92619	0.9
71.01392	15.3
72.99323	1.3
73.02950	3.4
83.01406	1.7
85.02946	5.6
87.00915	1.4
89.02464	7.9
95.01422	1.2
99.00896	1.4
99.04490	0.9
101.02459	8.6
113.02482	5.3
119.03501	2.0
161.04538	0.9
165.01945	2.0
165.05609	1.2
175.49765	1.0
195.06734	2.0
225.07800	1.0
228.85983	1.2
286.05045	0.9
292.85394	1.1
357.13889	1.2
359.06778	1.0
467.14716	1.0
538.75629	1.2
552.09546	1.0
779.42072	2.2
797.44446	1.4
839.44458	100.0
840.44727	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.7
61.98834	1.7
67.01904	1.3
69.07779	11.2
71.01405	10.2
72.01712	1.5
72.99323	2.1
73.02959	3.0
83.01398	3.1
85.02979	5.3
87.00919	1.9
89.02453	3.0
93.03484	3.2
95.01395	1.6
98.22498	2.4
99.00888	2.5
101.02467	5.0
109.02962	3.6
113.02473	4.0
121.02979	4.7
122.03768	14.7
124.01668	2.1
125.02464	2.9
133.02979	3.4
134.03746	2.4
135.04555	2.0
136.01694	10.6
137.02466	22.2
138.03249	2.3
142.44946	1.7
143.03468	2.3
145.02956	2.1
147.04498	2.1
148.01749	1.5
149.02466	25.0
149.06044	1.6
150.03249	74.6
151.00354	3.5
151.04042	26.3
152.04454	1.5
161.02444	2.9
161.04607	1.4
162.03198	2.8
163.04031	2.7
164.01259	1.6
164.04793	7.5
165.01949	100.0
165.05597	57.2
166.02621	7.3
166.05916	3.2
168.04298	1.5
171.57466	1.2
175.04048	5.0
176.04813	2.0
177.01938	1.6
177.05600	4.8
179.03535	18.7
179.07153	8.5
180.04308	55.2
181.05086	28.7
182.05385	2.5
189.05522	1.9
190.06322	5.6
191.03477	2.0
191.05571	2.1
191.07103	3.2
192.04347	2.4
193.05069	3.1
194.05893	8.8
195.06653	90.5
196.07008	5.3
205.08768	4.6
206.05829	1.6
207.06654	4.8
209.08206	2.9
210.03658	1.4
210.05339	9.3
223.06068	1.8
225.07719	35.7
285.04099	9.3
286.04190	2.0
307.64087	1.5
313.78955	1.4
373.12595	2.4
382.59412	1.4
389.16183	18.0
390.16766	2.1
419.16895	1.8
484.67853	1.4
489.34402	1.9
517.56647	1.6
521.33728	2.3
536.19696	1.5
537.21558	7.5
567.22473	15.7
568.22504	2.0
569.87030	1.5
585.23602	3.2
596.23004	1.9
597.23450	8.7
615.24768	3.1
633.38611	5.2
634.38342	1.6
645.25537	1.8
651.39398	11.7
652.40082	1.7
669.41064	2.7
693.40674	4.0
711.41650	4.1
745.28571	9.8
746.28912	2.8
753.41925	1.6
793.30804	2.3
841.41559	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	841.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98823	2.7
62.02252	1.7
69.03448	3.3
71.01390	42.1
71.26894	3.4
72.99300	3.9
73.02953	10.7
75.00829	2.0
77.28173	1.6
78.96351	1.7
83.01388	6.4
85.02955	19.7
87.00879	7.4
89.02455	12.5
95.01381	3.8
97.02943	4.5
99.00896	6.9
101.02435	16.7
105.01920	5.8
111.00875	3.1
113.01740	2.5
113.02464	25.8
119.03503	3.8
122.03777	2.0
124.01679	2.8
125.02470	10.3
137.02426	5.3
143.03510	7.6
149.02452	4.4
150.03220	9.7
151.00386	2.7
151.03975	3.1
161.04604	3.1
164.04813	3.0
165.01936	13.5
165.05569	8.2
178.18427	2.2
179.03481	2.4
180.04317	8.5
181.05009	3.4
191.05609	3.8
195.06648	9.9
225.07622	3.2
277.05643	3.5
285.04031	9.1
286.04163	3.1
299.25784	2.4
337.07571	3.1
345.30038	4.9
359.28027	3.0
383.39587	1.7
389.16196	3.7
489.34186	6.7
507.34991	6.6
508.35965	2.2
515.30157	4.4
521.33087	5.1
615.37311	2.3
633.38507	28.8
634.38904	6.9
651.39679	53.3
652.39850	12.2
669.40350	12.4
670.41077	2.7
693.41010	12.1
694.40125	4.1
710.52936	2.0
711.41876	20.4
712.41278	5.8
753.42188	2.4
841.40887	16.3
842.40851	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	843.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01718	1.3
71.01391	12.0
72.99323	0.6
73.02955	8.7
75.00905	0.6
83.01394	2.5
85.02962	3.3
87.00893	1.1
89.02457	3.5
95.01411	0.7
98.65340	0.4
99.00884	0.8
101.02457	9.9
113.02472	4.9
114.51038	0.4
119.03547	1.4
131.03531	0.8
133.02979	0.5
135.04507	0.7
143.03506	0.8
149.04614	1.4
159.03087	0.7
161.02502	1.2
161.04552	4.0
177.91168	0.5
191.05672	0.5
204.67889	0.4
221.06682	0.7
227.12839	0.5
234.15564	0.5
268.03821	0.5
269.04767	1.0
285.04282	0.8
352.96027	0.4
369.19330	1.2
378.26016	0.5
387.20197	5.7
388.20712	0.7
429.21353	10.7
429.26801	0.5
430.21991	1.4
431.19315	0.5
435.08459	0.5
489.08859	0.5
526.83899	0.5
577.16003	0.6
681.22961	1.3
718.26904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.8
59.33879	0.4
60.99297	0.4
61.34229	0.4
61.98834	1.4
62.57730	0.4
69.03473	0.6
71.01388	7.5
71.18364	0.3
71.28123	0.5
72.99330	0.5
73.02944	1.6
74.03263	0.4
74.09940	0.4
81.03474	0.4
82.48627	0.4
83.01389	1.2
85.02955	2.1
87.00893	1.0
87.41806	0.4
89.02455	4.5
95.01431	0.5
97.02959	0.5
99.00871	0.6
99.04531	100.0
100.04855	2.8
101.02442	4.5
109.02981	0.4
113.02470	3.1
115.36272	0.4
119.03529	2.2
125.02462	1.7
131.03517	0.9
137.02441	2.4
139.11285	1.5
143.03546	1.2
145.66185	0.4
151.03996	2.1
159.02969	0.4
161.02496	0.5
161.04591	2.8
164.86676	0.5
171.32510	0.4
179.03598	0.3
179.05606	2.0
183.10294	11.5
183.11856	0.9
209.08191	1.2
219.92584	0.4
221.06691	1.5
225.11386	1.1
261.07758	1.0
276.10162	2.0
281.09308	0.5
285.04089	1.4
291.12360	3.0
327.14627	2.8
389.91266	0.5
391.30084	0.9
427.19733	6.7
428.20126	1.3
471.31091	2.4
519.33276	3.7
701.05365	0.5
843.43854	14.0
844.44623	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	843.439
Annotation	Platycodon saponin 2
Peak:m/z	Relative Intensity
59.01387	25.0
61.98847	1.3
68.18848	1.2
69.20092	2.5
69.20493	9.9
71.01396	20.6
72.99332	2.7
73.02937	1.3
83.01411	2.3
85.02964	18.4
87.00907	1.4
89.02464	12.4
91.48055	1.2
92.91383	1.2
95.01410	6.0
101.02454	9.1
113.02474	22.4
119.03534	3.7
143.03493	1.5
161.04585	1.7
165.01933	1.3
167.88966	1.2
184.30360	1.3
188.90103	1.2
269.94577	1.3
375.27313	2.0
391.30219	10.3
407.29611	2.6
453.30212	4.1
471.31113	10.9
472.32040	1.6
519.33331	14.4
520.33905	3.8
663.37805	3.1
664.38177	1.6
681.38666	5.3
843.43927	100.0
844.44092	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	34.0
60.93425	0.5
60.99335	1.3
69.20293	4.9
71.01389	21.9
72.99303	2.5
73.02949	3.5
75.66486	0.6
80.53969	0.6
83.01375	2.3
85.02959	8.2
87.00877	0.6
89.02457	11.7
93.03489	0.6
94.49934	0.6
95.01389	2.0
95.22384	0.6
99.00891	0.8
101.02453	13.1
113.02455	5.7
119.03505	3.5
140.66237	0.7
154.99861	0.8
187.37149	0.6
191.05606	0.8
377.78528	0.6
457.33240	0.8
541.31641	0.6
681.38513	1.2
843.43903	100.0
844.44287	29.3
861.80792	0.7
865.32800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	51.4
69.03497	1.1
69.03959	0.8
69.68936	1.0
71.01391	46.5
71.25529	1.6
72.01722	0.9
72.99313	4.2
73.02961	2.8
75.00886	3.9
83.01406	2.5
85.02964	11.9
87.00896	3.4
89.02460	50.4
92.93773	0.8
95.01398	4.2
99.00905	1.4
101.02454	25.9
111.00918	2.6
113.02468	25.4
119.03530	10.9
125.02508	1.5
128.28006	1.0
129.78148	1.0
131.03516	2.1
134.03723	2.0
143.03465	4.9
161.04570	7.9
179.05638	19.3
180.06676	3.4
221.06619	0.9
244.04398	0.9
305.21695	1.0
323.09860	17.1
324.10422	2.0
341.11115	8.1
423.27960	1.0
485.15240	4.7
503.16251	100.0
504.16571	11.4
665.21576	21.4
736.22491	1.1
756.71350	1.0
774.05896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	48.1
60.45062	0.9
68.96214	3.4
68.96632	8.0
71.01395	41.3
72.99310	2.0
73.02946	1.6
75.00875	1.3
83.01384	2.3
85.02973	7.1
87.00874	2.1
89.02464	41.8
95.01405	2.5
97.02967	1.1
99.00883	2.1
101.02460	21.9
113.02473	23.9
119.03530	10.9
125.02435	1.2
131.03487	1.4
135.04431	1.3
143.03476	5.0
161.04559	4.9
179.05641	14.8
183.89725	1.0
193.05084	1.8
323.09906	15.6
341.10736	4.1
380.15414	1.0
503.16272	100.0
504.16608	13.8
765.38159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.7
63.27772	4.6
70.56139	4.2
71.01383	7.3
71.27504	6.8
72.99320	4.6
75.00885	35.9
85.02947	7.0
88.98809	16.6
89.02460	5.0
93.03470	14.3
117.03484	8.4
129.01970	8.2
130.26187	4.7
130.85634	5.1
131.03658	4.6
133.28159	4.0
134.03755	100.0
147.03030	14.5
149.04535	7.5
149.06111	7.5
165.04070	65.3
181.05029	4.4
191.05576	11.0
193.05077	94.9
211.09845	6.6
256.05106	4.6
280.50742	4.3
341.08789	83.4
342.09302	10.5
361.16794	5.1
515.81152	4.9
592.32855	5.8
685.27032	10.5
686.26721	6.0
738.90668	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	851.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01720	0.7
61.98845	0.7
69.03474	1.1
69.14951	4.4
71.01392	30.5
72.01744	0.6
72.99334	1.2
73.02956	35.3
75.00892	0.8
77.75679	0.5
81.03501	0.8
83.01409	8.5
85.02957	6.2
86.80732	0.6
87.00911	1.6
89.02459	11.4
89.03984	0.9
95.01421	2.3
97.03000	0.8
99.00936	0.5
99.04576	0.5
101.02455	40.8
102.02838	0.9
113.02471	20.5
119.03522	5.1
121.06609	0.7
125.02480	1.2
131.03510	4.6
137.09753	7.4
143.03557	4.2
143.07123	0.8
149.04564	8.4
155.03543	0.8
159.08144	0.6
161.04573	15.4
162.13242	0.6
179.05693	1.3
180.45523	0.7
189.12901	2.1
203.05670	2.5
221.06702	3.7
238.42487	0.6
285.04288	0.6
337.17343	0.5
409.29242	0.6
411.20435	0.9
854.30859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.3
69.03473	1.4
71.01392	35.2
71.27588	0.3
71.27987	0.3
72.01725	0.7
72.99326	1.5
73.02955	33.3
74.03283	0.6
75.00884	1.1
81.03491	0.6
83.01400	11.5
85.02961	7.9
85.06615	0.7
87.00900	1.6
89.02457	10.5
89.04023	0.9
93.03502	0.6
95.01415	2.6
97.02973	1.3
99.00903	0.8
99.04556	0.6
101.02457	38.3
102.02823	1.3
113.02466	18.9
114.02829	0.5
119.03513	5.6
119.05074	0.5
120.10815	0.4
121.06622	1.3
121.15656	0.3
125.02465	1.9
131.03525	4.8
134.06223	0.3
137.09738	8.9
138.68958	0.4
143.03519	5.4
143.07172	1.0
143.08606	0.3
147.03047	0.4
149.04581	7.9
149.05716	0.7
150.04922	0.4
155.03555	1.6
159.08238	0.9
161.04570	13.7
162.04968	0.6
162.79817	0.3
179.05630	1.0
185.09756	0.9
189.12885	2.1
191.05670	1.1
192.12898	0.4
203.05634	2.1
207.13908	0.4
215.10899	0.7
221.06660	5.1
335.91718	0.4
351.18454	0.5
411.20370	1.4
517.18652	0.4
545.50116	0.4
820.43964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.4
61.98124	2.1
61.98826	4.5
71.01389	13.4
73.02957	4.0
85.02968	5.6
87.00878	5.8
98.22632	4.0
101.02448	4.1
104.42450	2.1
112.46523	2.2
113.02464	3.7
131.03468	3.6
143.03548	1.9
217.15955	5.1
226.48508	2.2
228.90436	2.5
235.47063	2.3
391.26801	2.0
405.28030	3.3
421.27737	3.5
423.29129	5.5
425.30585	18.0
426.30984	2.7
437.26755	3.4
439.28516	55.7
440.29166	13.7
443.31848	7.7
453.26141	2.6
487.30994	7.0
583.36218	2.5
851.40778	100.0
852.41382	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	2.2
61.98838	2.7
69.15657	14.2
71.01394	20.4
72.99333	2.0
73.02951	17.9
75.00903	2.1
81.20203	1.5
83.01401	8.5
83.15293	1.4
85.02959	5.1
87.00890	4.0
89.02445	6.5
93.03452	2.2
95.05125	1.6
98.22585	3.5
99.04532	53.2
101.02445	18.3
111.00863	2.5
113.02463	9.0
119.03486	4.6
121.40653	1.5
122.17858	1.4
131.03508	2.3
132.02188	15.6
133.02956	6.9
134.03763	27.3
135.04584	1.8
137.02533	1.7
143.03532	1.7
149.02455	1.9
149.04530	1.9
149.06105	6.3
151.00389	5.6
154.99899	2.2
160.01678	73.5
161.02095	4.0
161.04518	6.0
175.04021	88.2
176.04515	7.5
179.03506	3.5
179.05644	1.6
191.05640	11.0
191.07153	2.8
193.05075	24.7
194.05656	3.2
199.03947	3.1
209.08302	2.6
217.05130	3.0
256.03580	2.1
284.03308	5.2
285.04089	93.5
286.04318	8.0
337.09332	100.0
338.09659	10.6
447.09387	55.7
447.14609	1.2
447.15707	2.0
448.09665	7.8
547.18250	25.6
548.18567	5.6
572.12445	2.1
590.86841	1.7
629.22443	65.3
630.22809	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	853.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43848	0.5
61.98827	0.7
69.39060	3.9
71.01390	5.0
73.02953	1.1
74.10927	0.5
85.02982	1.4
89.02444	0.7
97.69961	0.5
99.04531	55.3
100.04898	2.0
101.02445	1.7
113.02479	1.5
117.03469	1.1
119.05077	0.7
121.02974	0.9
125.02486	0.7
132.01411	0.5
132.02188	19.7
133.03021	2.7
134.03757	26.9
135.04163	0.7
137.02481	1.2
139.04018	0.6
147.04512	1.5
149.06146	6.1
160.01678	79.7
161.02065	3.8
175.04021	88.0
176.04440	6.0
177.01852	0.7
177.05518	1.6
178.02734	1.7
179.03580	2.6
191.07117	1.7
192.67502	0.5
193.05084	22.6
194.05829	3.5
202.02707	0.7
209.08252	3.2
217.05107	1.7
235.06055	0.8
252.23213	0.6
322.06958	0.9
325.52951	0.6
337.09320	100.0
338.09610	8.9
350.93314	0.6
410.73178	0.6
434.19641	0.6
529.17285	1.9
547.18256	28.2
548.18671	6.5
571.00153	0.6
629.22437	62.5
630.22815	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	853.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.08609	6.9
71.00341	11.9
71.01394	88.3
73.02950	77.0
75.00867	5.7
83.01382	22.8
85.02972	29.9
89.02457	35.0
90.19128	5.0
92.27039	5.3
99.00871	6.4
101.02457	100.0
102.41984	6.3
109.03012	5.6
113.02454	49.1
119.03497	9.2
121.07724	5.1
124.48111	4.9
125.02531	7.2
131.03476	11.1
143.03516	7.7
149.04591	17.4
159.08174	6.1
160.12582	5.7
161.04599	34.5
191.05609	11.6
221.06635	6.7
353.19608	18.1
371.20752	43.3
413.21866	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84230	4.1
60.50111	4.5
65.45789	4.0
71.01392	47.5
73.02963	16.5
73.10036	4.0
83.01410	8.9
85.02969	24.2
89.02458	10.5
91.84715	4.8
97.03002	4.2
99.00877	8.9
101.02491	26.6
113.02451	33.4
131.13376	5.0
161.04599	17.7
171.84337	4.9
191.05699	8.2
285.04099	12.8
357.11490	5.3
399.23895	100.0
400.24448	11.3
417.25079	15.9
459.26123	41.3
460.26633	8.6
484.40970	5.0
755.07092	5.1
851.77380	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	853.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	4.8
69.01045	6.5
69.01471	10.4
71.01389	35.5
72.99319	4.6
73.02950	15.0
75.00859	1.9
83.01389	3.6
83.05151	1.6
85.02959	68.9
86.00115	1.8
87.00884	9.3
87.04531	3.0
89.02455	24.0
95.01426	1.7
96.96007	3.9
99.00906	3.0
99.04525	2.6
101.02456	22.5
103.04026	25.7
111.75340	1.7
113.02467	51.7
115.04029	2.0
119.03505	11.6
127.04005	3.9
131.03525	45.5
132.03833	1.7
143.03514	6.9
145.05037	7.5
163.06143	100.0
164.06512	2.7
187.06190	3.3
189.03999	1.9
205.07172	9.0
231.05206	3.0
247.08250	45.9
248.08557	3.4
277.09244	8.7
377.25040	2.2
393.27957	6.4
407.25897	7.3
421.27371	5.1
423.29095	52.0
424.29453	9.3
441.30133	40.2
442.30396	7.2
469.29666	3.3
471.31168	78.0
472.31528	13.9
485.28806	4.2
495.31683	2.2
527.30408	2.7
543.33368	3.3
557.31537	10.0
558.31537	2.8
599.32532	2.3
692.83960	1.9
861.91516	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	859.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01720	11.5
68.99242	3.0
69.06069	4.3
69.06468	17.8
71.01392	88.0
72.99303	4.2
73.02955	39.8
83.01393	10.4
85.02959	27.6
87.00892	5.3
89.02456	47.3
90.82391	2.4
95.01389	5.6
95.05051	4.3
97.52383	2.3
97.77531	2.5
99.00887	4.5
101.02452	50.8
113.02464	37.4
119.03529	15.4
123.04542	9.1
125.02412	2.6
131.03488	3.2
135.04510	3.0
143.03503	3.9
147.08215	5.1
149.09726	2.8
151.11365	3.9
161.04582	35.6
161.09727	3.3
163.11272	2.7
173.09639	3.2
179.05620	6.6
179.10799	100.0
180.11163	5.6
183.48407	3.1
187.11296	5.8
189.12885	31.4
190.13216	3.0
191.05435	2.7
191.84378	2.5
205.12369	56.0
206.12656	3.8
207.13960	5.6
223.06181	3.2
223.13420	8.2
255.70010	2.6
341.16180	9.6
359.36810	2.4
369.19165	15.9
387.15564	3.6
387.20279	46.9
388.20609	3.6
429.21356	78.4
430.21744	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	859.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01716	12.3
67.23270	1.9
69.24081	14.0
69.32014	2.1
71.01390	100.0
71.40053	2.1
72.99302	5.8
73.02952	43.8
75.00882	2.4
79.65477	2.0
83.01381	13.5
85.02954	21.9
86.10623	2.0
87.00883	2.6
89.02459	78.0
95.01398	4.5
101.02456	74.0
113.02456	46.5
113.03183	3.7
114.02789	2.5
116.89738	2.5
119.03518	28.5
131.03511	6.5
143.03525	10.3
149.04626	10.8
153.09248	6.0
161.04562	25.1
170.34926	1.9
179.05606	17.1
189.12866	15.7
201.39825	2.2
205.12331	5.1
205.22981	2.1
207.13890	3.6
221.06598	3.5
248.58580	2.4
369.19156	8.6
385.18726	38.0
386.19189	5.0
387.20172	28.3
388.20749	3.6
429.21350	55.3
430.21646	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	859.4334
Annotation	Pseudostellarin H
Peak:m/z	Relative Intensity
67.64758	0.9
69.03465	0.9
69.16698	7.6
71.01388	23.5
72.99317	1.5
73.02958	9.4
81.03506	0.8
83.01395	5.0
85.02956	12.1
87.00890	2.6
89.02442	5.2
95.01406	1.6
97.02992	0.9
99.00900	2.2
101.02464	15.6
101.35758	0.8
106.64890	0.9
113.02457	6.9
119.01166	0.9
119.03545	2.1
125.61398	0.8
146.37653	0.9
161.04604	1.9
179.90164	1.0
191.05714	0.9
254.25552	0.8
362.80804	0.9
385.50665	0.9
420.86270	0.9
859.43378	100.0
860.43719	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99315	0.3
61.98838	100.0
71.01395	1.8
71.26781	0.2
83.01389	0.3
85.02971	0.7
89.02454	1.0
96.36600	0.2
99.04534	0.3
101.02493	0.8
113.02480	0.6
134.03772	0.2
160.01666	0.3
193.05045	0.2
194.19748	0.2
195.06616	0.2
488.62866	0.2
523.22034	0.3
797.43402	13.1
798.43915	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	861.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.2
68.99821	1.8
70.44098	0.6
71.01390	4.6
71.05020	0.9
71.27915	0.8
72.99323	0.6
73.02953	1.4
75.00883	0.9
83.01404	1.6
85.02970	4.6
87.00877	1.6
89.02459	1.1
95.01418	1.1
96.96029	1.3
97.02966	0.9
99.00892	3.9
101.02448	1.5
111.00932	1.4
113.02459	5.1
113.99599	9.0
115.00407	5.4
121.03010	1.0
125.02409	0.6
127.00379	2.0
129.01962	1.3
139.00404	0.6
157.01453	3.7
166.60191	0.5
169.01515	1.3
174.01709	10.3
175.02380	1.7
201.20560	0.6
251.32568	0.5
277.05634	16.1
284.03583	0.8
285.04120	1.2
337.07788	100.0
338.08163	7.4
341.20114	0.6
405.06665	1.8
425.26416	0.8
432.45673	0.6
861.25079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02409	0.6
65.00347	0.6
69.49904	1.2
69.50312	1.1
71.01390	2.9
73.02953	2.7
82.16592	0.4
83.01402	1.5
85.02959	0.8
87.00872	0.7
88.12836	0.5
89.02452	0.7
96.95990	0.5
99.00874	0.5
101.02451	1.8
107.01406	1.4
109.02962	0.5
113.02453	1.4
119.03513	0.6
120.87550	0.5
125.02407	0.5
133.02975	2.8
134.03719	0.7
135.04553	0.6
149.02402	0.9
151.00351	2.3
161.04520	0.6
169.09073	0.5
175.04031	1.4
177.01901	0.6
189.05496	0.6
191.05650	0.8
194.98770	0.5
199.04054	1.1
200.04662	0.4
217.05208	0.6
221.21799	0.4
227.03563	0.6
255.03012	2.7
256.03766	2.5
269.04480	0.5
283.02557	2.1
284.03296	43.3
285.04068	93.2
286.04449	8.6
297.04059	0.7
327.05069	1.3
447.09378	100.0
448.09708	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	863.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	16.2
72.99308	1.8
82.65691	1.1
83.01398	3.0
85.02946	7.0
89.02472	8.0
95.01384	1.5
99.04514	2.0
101.02461	10.5
108.17659	1.2
113.02443	5.5
119.03535	2.8
121.39467	1.3
122.03753	1.2
126.42075	1.3
135.01859	1.1
146.54695	1.3
149.78371	1.2
150.03204	1.9
191.05533	1.5
195.06679	2.2
223.04665	1.2
285.70633	1.2
325.63095	1.3
348.27322	1.3
377.18063	1.3
665.38397	1.9
793.53510	1.6
827.44440	100.0
828.44629	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02079	0.4
63.02406	1.1
68.95518	4.3
68.95850	0.4
71.01389	2.0
71.03020	0.4
72.14913	0.4
83.01389	0.7
85.02970	0.8
89.02443	0.8
101.02471	0.4
107.01394	0.9
111.72829	0.4
113.02479	0.7
113.62692	0.4
114.02769	0.4
117.09731	0.4
132.02208	0.4
133.02963	3.1
134.03723	0.4
149.02490	0.9
151.00397	3.3
153.01933	0.4
154.99896	0.4
175.03992	1.3
179.05621	0.5
179.77408	0.4
191.05602	0.8
199.03975	1.0
211.04005	0.6
217.04988	0.5
227.03656	0.7
241.05130	0.6
255.03055	0.4
256.03802	1.6
283.02545	0.5
284.03299	42.1
285.04071	92.3
286.04407	11.3
287.04718	1.2
297.04028	1.0
327.05164	0.9
447.09375	100.0
448.09708	15.6
449.10007	3.6
450.10129	0.6
648.07849	0.4
664.91180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02079	0.4
63.02406	1.1
68.95518	4.3
68.95850	0.4
71.01389	2.0
71.03020	0.4
72.14913	0.4
83.01389	0.7
85.02970	0.8
89.02443	0.8
101.02471	0.4
107.01394	0.9
111.72829	0.4
113.02479	0.7
113.62692	0.4
114.02769	0.4
117.09731	0.4
132.02208	0.4
133.02963	3.1
134.03723	0.4
149.02490	0.9
151.00397	3.3
153.01933	0.4
154.99896	0.4
175.03992	1.3
179.05621	0.5
179.77408	0.4
191.05602	0.8
199.03975	1.0
211.04005	0.6
217.04988	0.5
227.03656	0.7
241.05130	0.6
255.03055	0.4
256.03802	1.6
283.02545	0.5
284.03299	42.1
285.04071	92.3
286.04407	11.3
287.04718	1.2
297.04028	1.0
327.05164	0.9
447.09375	100.0
448.09708	15.6
449.10007	3.6
450.10129	0.6
648.07849	0.4
664.91180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.3
68.99825	21.6
69.12375	16.2
95.01371	4.5
95.05085	2.3
95.08215	2.0
97.88472	2.1
98.22562	4.3
105.03500	2.6
109.02964	7.4
121.02969	3.9
123.00881	26.6
124.01653	4.3
125.02472	14.7
132.02209	1.9
137.02431	9.7
138.02257	3.1
138.03253	45.6
139.03987	8.0
147.00859	3.9
149.02451	6.9
151.00345	2.1
151.04021	3.1
153.01990	15.3
153.05591	54.2
159.81245	1.9
160.01746	3.0
161.02422	2.6
162.03258	5.8
163.00377	4.2
163.04016	3.8
165.01949	18.9
166.02728	9.2
168.04298	38.3
175.00435	15.1
176.01169	50.1
177.01945	38.1
177.05597	4.3
178.02777	20.8
179.03419	6.4
180.04300	5.1
181.05074	11.3
190.02710	2.4
191.03525	44.6
192.04294	58.4
193.01439	40.7
193.05026	23.6
194.02216	3.4
195.06671	3.9
205.05061	2.9
207.06645	67.0
208.03802	49.1
208.06898	3.2
209.04512	19.4
219.06657	2.3
223.06131	100.0
224.06541	6.4
238.04906	4.0
386.51294	1.9
404.00031	2.8
415.13907	4.9
424.40543	2.0
640.21808	48.1
641.22253	30.0
835.28027	5.3
847.28143	7.8
865.29266	24.0
866.29639	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	869.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37448	0.5
63.42826	0.3
69.10970	2.4
69.11371	0.7
71.01392	3.0
71.39477	0.3
85.02973	0.6
89.02465	1.6
99.04533	90.6
100.04867	2.2
101.02471	1.1
113.02479	1.3
119.03538	0.9
121.02944	0.7
125.02455	0.5
126.33291	0.4
131.05051	2.6
143.03499	0.6
145.02968	4.7
146.03584	0.4
149.02469	5.3
150.03064	0.5
151.04050	1.0
159.04539	3.6
161.02480	2.4
161.04590	4.0
163.04010	0.5
164.04813	10.4
164.06177	0.6
165.05399	0.7
173.02458	11.9
174.03192	3.8
175.03888	0.6
176.04842	1.5
179.05774	0.4
179.07152	9.1
186.03206	1.1
187.04024	26.8
188.04788	9.6
189.05513	1.5
190.31763	0.4
191.05637	0.6
191.07214	0.7
200.04738	0.4
201.05603	1.0
202.06380	25.5
203.06731	1.9
215.07121	0.5
217.08707	16.0
218.09068	1.1
224.52951	0.4
261.09802	19.8
262.10199	0.9
267.06543	1.0
277.05478	0.4
295.03336	0.4
295.06094	1.9
306.05185	0.5
307.06079	0.5
308.06696	0.5
310.08572	0.7
321.07990	0.5
322.04803	0.6
323.05685	2.6
323.09238	0.5
324.10425	0.4
336.10202	0.4
337.07184	0.6
337.10962	0.9
338.08032	3.0
338.11368	0.5
339.08652	0.5
351.12491	0.4
352.09393	0.4
353.10309	15.3
354.10742	1.4
367.11877	5.9
368.12659	9.3
369.12927	0.9
383.15042	100.0
384.15375	13.5
409.88870	0.4
483.20255	0.6
484.05093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	5.9
62.09344	2.5
68.77908	2.6
71.01384	25.4
75.53605	2.4
75.73706	2.1
80.05071	2.6
85.02985	6.0
89.02452	13.0
94.03009	8.5
99.04537	7.5
101.02465	9.5
106.06657	7.8
111.79313	2.1
113.02472	7.6
119.03526	3.5
122.06167	3.9
134.06125	25.5
139.49542	2.5
143.03458	2.6
146.06241	2.3
152.07198	8.3
168.06705	3.4
174.80739	2.2
201.10419	3.4
227.11897	2.5
229.09859	5.1
237.10294	4.1
239.11929	4.7
249.10248	3.5
250.07538	2.3
251.08260	3.8
252.08849	3.3
253.09880	2.8
257.12881	2.5
263.08084	3.8
265.09763	5.5
267.11652	4.3
277.09888	5.5
278.07031	3.4
278.10541	5.0
279.08017	4.6
279.11456	6.7
292.08591	2.9
293.09366	9.1
294.10034	4.4
295.10809	5.5
301.12070	4.7
305.09409	3.1
306.10049	2.6
307.10941	3.7
319.12988	11.9
339.09915	4.0
392.16107	3.1
410.15317	3.3
486.16916	2.7
638.23230	5.3
648.22009	3.6
666.22955	17.6
667.23444	4.3
712.26862	7.4
743.30444	3.0
745.26868	3.3
761.30243	6.7
777.30139	4.3
805.29395	74.5
806.29889	15.8
819.30774	3.8
837.32123	100.0
838.32501	27.0
869.34283	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	869.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	4.2
62.11520	0.5
68.17129	0.5
69.20572	3.9
71.01390	19.2
72.99311	2.6
73.02944	2.6
83.01405	2.9
85.02959	7.0
87.00919	0.9
89.02458	11.7
95.01404	1.3
98.21793	0.8
99.00870	1.0
101.02454	10.2
113.02467	5.4
119.03508	2.1
120.56051	0.4
143.03482	0.6
161.04613	0.5
173.04597	0.5
191.05701	0.9
215.99388	0.5
350.11105	0.5
384.16257	0.6
470.26749	0.5
514.59564	0.5
549.22559	0.6
566.09595	0.5
707.40033	0.6
869.45441	100.0
870.45648	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99319	1.5
61.98840	4.9
62.70872	1.1
69.03469	4.1
69.26413	5.4
69.26817	1.7
71.01390	40.2
72.99322	8.5
73.00367	1.0
73.02953	32.4
75.00882	4.7
81.03433	2.2
83.01385	7.4
85.02961	19.3
86.00105	6.7
87.00887	24.9
87.04525	7.8
88.68523	0.9
88.98809	1.2
89.02448	19.8
94.32003	0.9
97.02967	2.3
98.22552	2.0
99.00903	2.3
99.04565	1.2
101.02457	48.1
103.04031	14.5
111.12001	0.9
113.02460	14.0
115.04012	6.8
116.79288	0.9
119.03510	9.8
125.02447	3.9
127.04024	1.7
129.00780	0.8
131.03517	19.1
135.03065	2.3
143.03514	24.3
144.03853	1.2
145.05110	5.3
155.03487	1.5
159.04753	1.0
161.04620	3.2
163.06145	46.4
164.06375	1.2
195.06607	1.3
203.05566	1.5
205.07185	24.8
206.07515	1.2
223.06120	2.3
245.15434	1.4
247.08234	18.0
265.09396	2.9
272.96829	1.0
285.04041	1.9
289.09293	2.4
299.58591	1.1
363.27100	1.8
373.25421	1.5
375.26868	5.4
377.28595	3.0
379.30090	3.7
391.25632	1.8
391.30145	20.5
392.30505	3.9
407.29639	6.8
408.29788	1.3
409.31302	3.5
423.29260	2.4
435.28903	4.9
436.29556	1.4
453.30240	4.2
457.33414	7.8
458.33655	1.8
471.31311	2.9
473.32535	3.6
501.32285	92.5
502.32590	17.1
519.33337	100.0
519.83411	1.0
520.33716	17.8
533.34882	2.7
561.34393	52.8
562.34729	10.7
603.35577	2.0
605.37250	9.2
606.37170	2.0
647.38025	1.6
665.39508	2.1
707.40179	39.2
708.40503	7.8
838.93347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06886	0.9
62.79762	0.8
71.01392	10.9
72.99297	1.1
79.68099	0.8
83.01397	5.4
85.02963	4.2
87.00889	1.1
89.02457	9.1
95.01414	1.4
95.12547	0.8
97.03022	0.9
99.00897	2.7
101.02451	11.2
105.03444	0.8
113.02471	4.6
113.99604	2.7
115.00415	1.3
119.03519	3.7
121.02991	2.9
122.84346	0.8
132.02156	1.2
133.02936	1.9
134.03754	12.3
135.04504	1.5
137.02467	2.9
140.18950	0.8
145.07768	1.1
147.04459	1.2
149.02457	8.8
149.06125	4.2
150.03236	8.6
158.03741	1.0
160.01677	3.2
160.06474	5.3
161.02472	11.0
161.07224	26.7
162.07622	1.3
163.04012	1.2
164.04803	3.5
165.05562	9.2
173.06059	1.7
175.04037	3.8
175.08784	12.1
176.04790	11.3
178.02727	6.4
179.03528	1.8
179.05614	1.7
179.07162	1.3
180.04311	1.0
187.08781	1.7
189.06708	37.3
190.07169	1.0
191.05574	0.9
191.07185	10.6
193.01521	1.4
193.03357	1.3
193.05081	16.2
194.05743	3.0
195.06610	3.4
203.08284	11.5
203.11929	3.3
208.03697	5.0
209.08205	23.5
210.08461	1.7
223.06140	8.6
229.09879	6.2
250.06400	1.2
267.07178	1.5
277.05591	4.9
282.09116	1.8
305.11423	10.0
314.88608	0.9
323.12805	1.8
341.10355	3.8
385.11249	2.1
389.12451	3.1
485.17859	100.0
486.18198	13.2
871.25134	17.0
872.25732	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	871.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25649	0.7
71.01388	12.0
71.27177	1.0
72.99308	1.2
73.02953	1.3
74.66171	0.7
75.00893	1.2
83.01373	3.7
85.02962	4.2
87.00855	1.5
89.02459	10.4
93.03483	0.8
96.96026	1.0
99.00909	0.9
101.02457	12.7
102.02767	0.9
107.04090	0.8
113.02466	6.3
113.13269	0.8
115.00372	0.8
119.03529	4.2
134.03764	7.2
135.04588	1.7
137.02469	1.0
137.86440	0.8
144.37819	0.7
145.07706	1.2
147.63173	0.8
149.02472	3.1
149.06085	3.0
150.03217	3.6
151.39053	0.9
152.01189	0.9
160.01707	1.4
160.06450	4.3
161.02519	6.1
161.07227	31.1
162.07623	2.0
164.04892	1.9
165.05582	3.3
175.03975	1.4
175.08775	12.0
176.04807	4.5
178.02777	3.7
179.03615	1.2
179.05490	0.9
187.08771	2.2
189.06721	40.2
190.07016	2.5
191.05656	1.6
191.07176	4.4
193.01363	1.6
193.05063	12.2
194.05743	1.1
195.06589	1.8
201.10345	2.5
203.08284	12.0
203.11903	4.5
204.08733	1.0
208.03760	2.6
209.08217	9.3
223.06084	4.6
229.09882	6.9
241.09848	1.5
267.07196	5.6
277.05621	1.6
282.08557	1.2
305.11438	9.0
323.12531	1.2
341.10403	1.3
385.11633	5.9
387.16733	2.1
389.12323	1.2
400.99237	0.9
439.18326	1.2
485.17828	100.0
486.18149	12.4
693.94031	1.0
871.24780	8.6
872.25323	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	872.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98637	1.5
69.03443	3.3
71.01391	100.0
72.01709	1.7
72.99307	4.3
73.02956	94.4
74.03243	1.6
75.00890	1.9
81.03458	1.5
83.01398	35.2
85.02968	7.6
87.00890	1.8
89.02462	19.5
89.21230	1.2
90.23264	1.2
95.01400	3.2
99.00938	1.6
101.02458	94.0
102.02785	1.2
104.11789	1.4
109.02962	1.4
113.02467	23.6
119.03493	5.1
121.02975	4.0
122.03761	2.0
125.02453	5.5
131.03542	7.4
134.03708	2.5
143.03532	8.6
147.04567	1.4
149.04596	11.1
149.05650	1.6
155.03517	4.0
161.04579	21.8
162.04788	1.7
165.05563	5.1
179.07182	3.1
191.05663	1.3
193.04933	2.1
203.05605	3.6
221.06595	2.3
225.38130	1.4
346.14410	3.3
361.16635	42.3
362.16833	5.9
441.61548	1.4
499.04968	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	873.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	21.3
71.28412	2.1
72.99303	2.1
73.02956	8.2
73.28439	1.2
75.00870	5.4
83.01395	3.6
85.02947	9.5
87.00905	1.6
89.02445	13.4
92.11249	1.1
95.01427	1.9
99.00877	2.2
101.02464	16.3
107.01379	3.7
113.02488	14.3
119.03499	4.8
125.02470	2.2
133.02977	16.8
135.03009	12.6
137.02472	2.0
143.03531	1.9
149.02457	4.1
149.04575	1.5
151.00412	6.8
161.04572	9.6
165.01912	6.0
166.02307	1.7
167.05151	1.1
175.04005	4.8
179.03461	1.2
179.05693	3.1
180.04243	1.5
181.04959	2.5
191.05760	1.8
195.06680	3.4
196.06998	1.5
199.04001	3.4
201.01974	1.2
217.05020	2.8
225.07779	1.9
248.89879	1.4
285.04083	100.0
286.04425	11.7
287.99997	1.3
483.29749	9.5
484.30060	2.5
501.30710	2.4
543.31421	3.1
595.27747	1.4
651.39740	2.2
669.40222	3.1
711.42078	1.7
813.45056	9.3
814.45081	1.9
831.46539	6.2
832.46906	1.6
873.46582	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	875.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99800	0.6
69.03452	0.4
69.18471	2.1
69.18872	0.6
71.01389	7.2
72.99316	2.5
73.02945	0.5
75.00880	9.4
77.58258	0.3
81.03498	0.5
83.01379	0.3
85.02965	10.1
87.00887	2.8
89.02458	2.0
93.03497	0.4
95.01400	3.4
99.00899	5.2
101.02450	0.4
101.06093	60.9
102.05844	0.4
102.06402	1.9
102.36312	0.3
103.00381	0.8
104.97285	0.3
111.00906	0.4
113.02464	10.7
115.00367	1.2
117.01964	1.7
119.05027	0.5
125.02456	0.7
129.01959	0.6
133.02959	0.3
157.01419	0.4
161.02483	0.5
165.05589	0.7
175.02490	1.5
182.02220	0.8
191.05664	0.8
197.04562	0.6
205.07156	0.4
223.06053	0.5
231.05066	1.1
249.06178	9.7
250.06535	0.5
267.07278	1.0
287.53372	0.3
333.11975	1.8
351.12991	100.0
352.13324	8.0
352.17477	0.6
470.39136	0.5
875.24329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.9
68.96529	1.3
68.96945	4.4
68.99809	1.3
69.03458	1.2
71.01392	9.8
72.99323	3.1
73.02944	1.4
75.00504	0.7
75.00888	11.3
83.01453	0.7
85.02961	10.6
87.00894	3.3
88.72416	0.6
89.02454	2.9
91.04069	0.7
93.03481	1.1
95.01402	3.5
96.96031	0.8
98.92332	0.6
99.00891	5.1
101.02477	0.8
103.00370	1.0
113.02477	13.0
115.00407	1.3
117.01987	2.4
121.02975	56.3
121.91721	0.6
122.03301	2.1
129.01991	0.8
172.32796	0.6
175.02568	1.4
189.04057	1.2
191.05766	0.8
231.05075	3.1
249.06186	37.5
250.06584	1.9
267.30661	0.5
296.08383	0.5
353.08936	1.2
368.02808	0.5
371.09872	100.0
372.10178	9.1
507.09500	0.5
527.61115	0.6
587.90796	0.6
875.18555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.2
70.27425	7.4
70.27821	6.4
71.01382	13.3
72.99326	3.3
73.02942	10.0
83.01395	5.1
85.02965	18.1
99.04541	4.1
101.02443	19.3
113.02464	31.3
116.92706	3.2
127.04022	7.4
131.03526	7.1
143.03539	4.5
145.05087	17.9
156.77600	3.0
163.07440	3.1
205.07254	22.9
206.07516	4.3
247.08218	4.8
258.05469	2.9
289.09250	22.4
393.27948	5.2
407.25830	6.4
421.27298	7.4
423.29065	95.3
424.29474	12.1
437.57089	4.4
441.30161	73.2
442.30380	11.6
462.96475	3.3
471.31210	100.0
472.31744	19.0
485.29156	8.2
495.30948	4.3
525.31818	5.3
540.30200	3.9
543.33252	17.3
557.31390	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.6
69.50661	1.1
71.01371	0.6
83.01407	0.6
85.02940	0.3
89.02480	0.3
107.01400	1.2
107.25873	0.2
113.02433	0.3
122.65659	0.2
133.02968	7.0
149.02460	1.2
151.00380	3.7
171.04562	0.3
175.04044	2.3
191.05644	0.5
199.03999	2.2
201.01880	0.7
204.17133	0.3
217.05118	1.2
240.04190	0.3
241.05083	0.7
243.03166	0.3
255.02905	0.3
257.04587	0.3
268.03802	2.0
269.04431	1.0
284.03354	1.5
285.04077	100.0
286.04422	8.8
431.09903	1.5
447.09363	15.1
448.09674	2.0
690.03290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73788	1.6
68.41249	1.8
68.66624	1.5
69.77992	1.6
71.01394	44.5
72.99322	4.0
73.02952	12.3
75.00891	16.7
78.36934	1.7
83.01405	15.7
85.02945	12.3
86.69305	1.7
87.00895	4.4
89.02454	42.4
95.01393	3.4
97.06613	2.4
98.21829	4.2
99.00893	2.3
101.02456	25.4
107.01360	2.3
110.72920	1.6
113.02471	15.8
119.03512	12.7
120.31605	1.8
125.02413	1.6
132.34981	1.7
134.03761	25.6
135.03026	16.2
135.03989	1.7
135.04553	3.9
135.21495	1.6
141.97350	1.9
143.11159	1.8
145.02942	1.9
149.06091	17.9
150.03206	3.3
151.00366	3.3
152.04805	3.8
165.05591	1.7
165.12881	3.0
167.07202	2.2
167.10823	3.5
170.27332	1.5
177.05678	2.4
179.05644	2.9
191.05750	3.4
207.13927	3.5
209.11884	6.5
225.13072	1.7
225.14905	9.4
227.12927	47.1
227.15112	3.4
228.13155	3.3
251.12837	4.0
269.13974	7.1
283.02524	2.1
284.03232	3.0
285.04080	6.3
287.14975	10.8
329.12521	9.7
391.04807	2.5
392.05087	2.4
431.18985	2.9
447.09348	8.1
725.28662	1.9
743.31543	6.9
744.31958	2.4
761.32446	100.0
762.32928	26.2
879.19080	3.5
879.34912	64.0
880.35516	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	883.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	6.8
85.02962	5.1
96.95968	2.8
98.21728	5.6
99.04531	74.1
101.02431	2.7
113.02461	3.3
119.01423	4.4
119.03557	3.6
121.02979	4.8
125.83217	2.9
134.03720	3.8
135.04526	2.7
147.00868	2.9
149.02452	12.4
161.02457	3.3
164.04807	17.0
165.01993	4.2
165.05531	3.1
175.00398	27.9
179.07141	4.1
190.02742	71.7
194.05846	5.6
201.24144	2.2
205.05075	74.1
206.05547	4.8
209.08195	3.5
222.71805	2.3
223.06075	11.9
228.89000	3.0
367.10339	100.0
368.10742	10.3
507.79800	2.7
577.19385	28.1
577.94940	2.4
578.19586	6.4
659.12329	4.2
659.23553	83.3
660.23718	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	9.3
71.01386	49.6
71.26891	4.2
72.99294	3.8
73.02949	5.8
83.01413	7.9
85.02955	20.9
87.00886	5.2
89.02448	29.7
92.93970	3.4
99.00906	17.9
99.04533	84.3
101.02419	23.0
109.01392	3.5
113.02460	32.2
116.35951	3.3
119.03519	16.6
119.08648	4.6
125.02446	11.9
133.10213	3.2
137.09758	11.4
143.03500	7.3
148.10794	3.1
149.02487	3.8
161.02470	8.3
161.04601	7.9
161.09746	6.0
162.03340	4.3
163.07687	10.7
165.05598	5.6
177.05608	7.0
179.05618	13.5
179.10805	14.4
181.08766	23.2
193.05150	3.9
195.06598	4.5
197.11853	27.6
209.08250	4.7
223.09763	12.2
241.10812	47.5
283.12003	5.4
323.09933	8.1
367.13882	3.5
420.98520	3.4
441.15897	3.7
547.20526	31.2
548.21051	8.5
839.33575	100.0
840.33954	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.0
69.17899	3.3
71.01389	13.8
72.99315	1.3
73.02954	5.5
83.01400	4.0
85.02960	8.6
87.00867	1.5
89.02470	3.4
92.49574	0.5
95.01448	0.8
99.00883	1.4
101.02460	9.9
104.29247	0.6
113.02461	5.1
131.03488	0.7
284.62909	0.5
307.27673	0.6
316.42520	0.6
665.38635	1.2
779.42426	7.1
780.42358	2.0
839.44446	100.0
840.44739	26.8
840.60919	1.1
883.29205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.1
69.03465	2.7
71.01389	76.2
71.28019	1.3
72.99304	4.6
73.02954	100.0
74.03300	1.9
75.00892	1.8
83.01395	34.0
84.25159	1.0
85.02509	1.7
85.02949	8.7
87.00859	1.7
89.02445	13.4
95.01380	4.9
97.02958	2.1
101.02454	88.9
103.41683	1.1
113.02467	29.5
117.07130	1.5
119.03511	9.2
125.02467	3.6
131.03500	8.6
137.01122	1.4
143.03543	12.0
146.25200	1.1
149.04572	16.3
155.03566	2.4
161.04570	30.3
203.05609	3.5
211.73169	1.1
217.12436	2.9
221.06674	4.8
239.88629	1.3
260.22653	1.1
292.73871	1.2
294.87302	1.3
342.45999	1.0
490.51263	1.4
524.42700	1.3
525.44507	1.2
601.84613	1.2
700.37347	1.2
844.30872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	18.7
73.02587	1.0
73.02959	12.8
75.00903	0.7
83.01389	2.7
85.02956	6.1
87.00901	1.1
89.02445	3.0
91.05538	1.5
94.59320	0.8
95.01406	2.0
99.00870	2.3
101.02457	16.3
104.62926	0.7
113.02470	10.1
117.03485	1.8
119.03511	1.9
125.02438	1.0
131.03416	0.8
135.04549	14.8
143.03523	2.4
149.02452	1.4
149.06108	4.5
151.00333	1.9
159.03015	1.0
161.04593	9.7
162.09262	14.1
163.09540	1.4
177.05605	2.0
196.05174	0.8
203.05627	4.8
211.04091	0.9
228.95224	1.1
239.03574	2.2
240.04253	2.4
267.03091	1.0
268.03806	72.3
269.04535	29.8
270.04886	2.3
281.75528	0.8
327.41602	0.8
368.17191	4.2
369.17865	1.1
410.18320	7.0
431.09872	100.0
432.10205	12.9
497.51627	0.7
613.16168	0.9
630.61792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15998	0.8
69.16395	3.0
71.01390	9.3
71.54149	0.3
72.99295	1.1
73.02936	1.6
79.65150	0.3
83.01386	1.1
85.02968	5.1
87.00874	1.7
89.02458	7.2
93.03459	1.7
95.01399	0.8
99.00921	0.5
101.02452	6.3
103.03999	0.9
106.06615	1.4
109.02972	0.6
111.04488	0.4
113.02458	2.6
119.03513	2.9
122.06084	0.9
123.62782	0.4
127.03966	0.7
130.03000	3.0
131.03499	0.5
133.02963	0.7
134.06142	15.1
135.04515	1.7
135.06488	0.8
143.03563	0.4
146.02477	0.7
148.04068	0.6
152.07173	1.4
161.02463	1.0
161.04454	0.7
162.05634	2.8
163.06148	3.3
166.25665	0.4
173.04547	1.7
174.01984	21.9
175.02318	1.2
175.03992	0.4
179.03529	1.3
186.02026	1.9
191.05627	35.1
192.05984	0.9
200.03520	3.1
205.07176	1.2
206.04622	1.6
247.08276	1.8
249.10257	0.5
265.09854	0.7
285.98196	0.4
293.09329	4.1
309.12289	0.4
314.12518	0.9
321.08826	20.8
322.09134	2.1
325.11954	0.8
353.08429	2.5
353.11551	4.1
354.12064	0.5
384.77051	0.5
431.78116	0.4
473.15625	3.5
474.15662	0.7
501.15198	100.0
502.15564	13.9
533.17804	42.1
534.18176	6.6
534.79181	0.4
598.98541	0.5
836.72534	0.4
887.29462	1.0
913.13800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	3.1
69.03472	0.5
71.01389	1.5
81.03471	0.8
83.05035	0.8
85.02959	4.3
87.00887	4.1
89.62626	0.2
91.92755	0.2
93.03468	20.1
94.03815	0.4
104.58057	0.2
109.02940	0.5
111.04538	2.7
113.02477	0.3
117.03457	0.2
119.05042	5.9
120.05373	0.4
123.83954	0.2
127.04035	1.2
129.01965	0.4
137.02461	0.4
145.02988	1.2
155.03505	0.7
163.04018	5.9
164.04358	0.3
171.03131	0.3
173.04562	10.5
174.04895	0.5
191.05627	100.0
192.05977	4.3
224.99196	0.2
276.79868	0.2
327.21460	0.2
337.09317	35.5
338.09216	3.0
338.12643	1.0
766.23523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.6
65.20309	2.9
69.03474	3.2
71.01392	32.8
71.26671	3.0
71.27066	4.3
72.99305	7.9
73.02956	15.1
75.00869	5.1
83.01395	9.1
85.02958	18.5
87.00898	15.4
87.04475	3.8
89.02447	28.9
95.59061	3.4
96.95997	5.4
101.02451	29.6
103.04048	14.9
104.11055	2.9
104.83250	2.8
113.02458	13.9
115.04052	6.3
118.35589	3.1
119.03515	13.6
127.03977	3.3
131.03517	9.0
135.02975	4.8
143.03537	6.3
144.59239	3.0
145.05052	4.8
154.99796	4.4
163.06140	49.0
205.07159	11.6
247.08237	10.4
285.04028	12.0
337.07825	7.0
346.68881	3.4
391.30316	14.7
407.29535	10.5
435.28958	9.2
453.30243	4.7
457.33179	7.3
458.18539	3.2
470.11551	3.7
471.31219	3.5
473.32776	5.2
497.05478	3.1
501.32254	54.3
502.32666	8.5
515.08405	3.5
519.33289	87.7
520.33630	15.8
533.34967	6.0
561.34369	100.0
562.34589	14.3
591.35205	4.6
605.36877	13.4
634.21967	3.2
665.38330	4.3
695.00183	4.2
707.40363	26.1
708.39825	8.2
725.40106	5.5
871.09735	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	889.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	8.1
68.28046	1.3
71.01395	8.7
73.02945	1.6
81.43939	1.7
83.01408	1.8
85.02954	4.1
89.02483	2.0
93.73404	1.5
101.02448	4.6
113.02432	1.8
118.51575	1.3
144.66316	1.3
157.44785	1.7
165.01906	1.4
179.03374	1.5
185.50275	1.5
195.06593	1.6
303.50873	1.7
317.21191	3.5
463.54034	2.0
479.26639	8.5
641.31824	100.0
642.32074	22.1
731.99237	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	890.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
67.04044	0.6
69.27010	5.0
71.01392	3.9
73.02962	0.8
76.76692	0.5
85.02957	0.8
89.02480	1.7
101.02487	1.8
107.06915	0.5
109.50337	0.6
113.02466	1.0
118.13948	0.7
119.03574	0.7
133.67456	0.6
135.04552	1.0
150.03230	0.8
175.03995	0.7
175.15025	0.6
184.24074	0.6
195.06573	0.8
273.41074	0.6
285.03864	0.7
313.59381	0.6
342.37482	0.6
474.69104	0.7
827.44403	19.7
827.59192	1.1
828.45026	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	891.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	5.2
62.59587	2.5
71.01376	10.8
73.02960	6.2
83.01385	8.2
83.05029	2.7
85.02960	3.2
87.00862	2.6
97.02971	2.7
98.22539	4.8
101.02448	6.1
108.02200	4.2
109.02953	3.1
113.02452	5.7
119.03521	2.5
119.08678	3.2
121.02962	5.7
121.06572	3.0
122.03735	3.0
123.04565	2.9
123.47508	2.6
125.06055	2.8
132.30759	2.2
133.02969	3.5
135.04526	5.2
135.08170	4.1
137.02478	5.2
137.09734	6.2
145.02972	7.7
146.03745	6.1
147.04544	9.4
149.02429	3.2
150.03265	6.3
158.03746	40.0
159.04533	6.6
161.02402	6.2
161.09731	9.4
163.03996	3.6
163.07635	11.0
163.11157	3.0
165.01968	19.8
165.05600	19.6
173.06046	2.6
175.03961	5.1
176.04756	4.0
179.03542	2.5
179.05475	2.1
179.07159	2.8
179.10753	5.0
180.04320	14.1
181.08684	11.6
189.05545	4.0
195.06644	31.5
197.11807	6.7
208.03679	3.6
220.87852	2.4
223.09715	11.8
225.07707	3.7
228.66705	2.8
229.08493	2.8
235.07675	2.4
235.61380	2.3
241.10840	5.8
251.07198	6.3
252.07793	3.6
254.05975	2.8
254.09523	10.6
263.07065	5.7
264.07858	5.4
265.08496	4.4
268.07428	11.3
269.08191	4.0
275.07196	3.4
277.08560	2.7
279.06549	6.5
280.07388	53.8
281.08081	12.6
282.08853	15.6
283.09631	17.4
291.06750	5.1
292.07410	4.4
293.08182	10.2
294.08997	27.6
295.09766	98.8
296.10187	8.0
297.07510	3.9
298.08508	6.6
309.07724	37.0
310.08469	59.0
311.09021	6.7
313.10815	57.9
314.11151	8.2
325.10794	100.0
326.11185	10.4
343.11859	22.4
344.12271	4.0
385.15088	20.1
386.15149	3.2
469.17612	2.5
475.15997	6.7
487.16150	6.3
505.17361	18.4
729.27722	80.1
730.28088	18.6
767.00330	2.7
861.90747	3.1
891.33014	62.8
892.32642	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.9
69.06174	1.0
69.06586	5.5
71.01392	72.5
72.01737	1.2
72.99325	4.3
73.02956	100.0
74.03288	0.8
75.00882	1.5
81.03464	1.3
83.01399	28.1
83.23625	0.7
85.02961	10.1
85.53938	0.7
87.00896	2.5
89.02457	19.4
95.01422	2.9
97.02975	2.2
99.00887	2.1
99.04557	0.8
101.02457	88.1
102.02805	2.3
113.02467	29.3
113.88456	0.7
114.02800	0.8
119.03513	9.1
125.02462	3.4
131.03508	7.4
132.31506	0.7
143.03514	8.5
149.04575	14.6
155.03539	2.8
161.04587	33.0
162.04880	0.7
179.05659	4.2
203.05615	3.7
221.06679	7.5
225.03322	0.7
268.03952	0.9
268.17825	0.7
269.04279	0.8
271.19156	3.3
293.00641	0.7
373.26324	0.8
413.22043	1.2
432.10361	0.8
433.11621	1.0
433.24451	23.2
434.24921	2.7
441.76019	0.7
444.85846	0.8
495.65857	0.8
764.03088	0.8
828.45251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.3
69.30752	5.7
71.01389	67.1
72.99302	3.8
73.02955	76.5
75.00893	2.4
83.01394	21.4
85.02954	9.8
87.00893	2.0
89.02452	18.1
95.01412	2.2
97.02953	2.4
101.02454	69.9
102.02766	1.4
113.02457	28.3
116.68398	1.0
117.01958	1.7
119.03514	10.7
123.08200	2.7
125.02470	3.2
125.06107	1.3
131.03529	5.1
134.03763	2.1
141.30569	1.0
143.03505	8.3
149.04552	12.4
155.03526	2.2
161.04576	25.9
165.01878	1.8
167.10759	5.6
177.09346	1.1
179.05647	2.0
191.05606	2.2
193.05022	2.3
203.05646	3.0
203.10786	3.5
203.13693	1.2
221.06689	4.6
221.11829	6.3
277.50671	0.9
341.14615	1.2
387.20364	6.2
401.18359	1.3
405.21210	7.2
447.22375	100.0
448.22717	12.2
491.21497	3.4
521.20319	1.3
575.33630	1.2
683.25262	3.4
731.27838	2.4
822.15387	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	895.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.8
65.00328	0.7
69.05847	1.8
69.06189	0.3
79.86148	0.2
83.01366	0.5
88.12827	0.3
98.21783	0.3
107.01389	1.4
109.02953	0.3
121.02967	0.3
123.00858	0.3
123.97723	0.2
132.02173	0.2
133.02971	2.9
134.03763	0.4
149.02443	0.9
149.99568	0.2
151.00383	3.1
152.91315	0.2
171.04649	0.2
175.03986	1.3
183.04578	0.3
185.06133	0.3
185.79146	0.2
197.06161	0.4
199.04085	1.2
200.04752	0.3
201.01970	0.4
211.04022	0.5
212.04919	0.3
213.05629	0.3
215.03644	0.2
217.05083	0.6
227.03535	0.9
228.04398	0.2
230.91989	0.2
239.03505	0.2
241.05074	0.5
243.02948	0.5
255.02948	0.4
256.03778	2.7
257.04449	0.4
267.03021	0.3
271.43677	0.2
283.02505	0.4
284.03287	42.1
285.04050	86.7
286.04422	8.2
286.07657	0.4
297.04080	0.4
327.05249	1.0
447.09357	100.0
448.09698	13.1
763.50482	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	18.0
71.28873	7.8
72.99313	6.5
73.02944	12.0
83.01434	3.9
85.02957	20.9
96.96033	5.6
99.00902	5.8
101.02461	15.5
113.02466	32.1
127.04008	6.5
131.03496	13.3
143.03436	6.6
145.05072	9.2
163.06134	10.1
194.30556	4.3
205.07204	22.0
229.33536	4.7
284.02594	5.2
289.09354	26.1
366.17810	4.4
393.27982	10.1
407.25922	13.5
421.27466	8.3
423.29117	92.8
424.29431	18.5
441.30194	69.3
442.30328	10.8
471.31229	100.0
472.31573	20.7
485.29163	9.5
509.28674	8.7
543.33289	17.9
557.31342	31.1
558.31799	5.1
745.19250	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	897.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01901	0.8
68.71432	0.4
68.99816	1.5
69.03461	1.4
71.01394	11.3
71.08791	0.7
72.99322	2.3
73.02957	1.3
75.00884	11.5
81.03450	1.0
83.01394	0.7
85.02962	13.9
87.00884	3.7
89.02436	2.5
91.04010	0.7
93.03469	1.1
95.01413	3.7
97.02953	0.6
99.00893	6.7
100.67595	0.5
103.00383	0.6
106.88042	0.4
111.00908	0.7
111.04478	0.6
113.02465	14.9
115.00381	1.2
117.01962	1.9
121.02975	58.8
122.03305	2.3
129.01979	0.7
139.00462	0.6
143.19839	0.5
157.01401	0.6
175.02484	1.7
189.04079	0.5
231.05141	4.0
249.06180	39.3
250.06532	1.9
319.06592	0.5
353.08875	1.2
371.09863	100.0
372.05832	0.9
372.10229	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	899.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
69.14594	3.6
71.01378	2.8
73.02939	0.8
75.00867	0.8
81.13570	0.4
83.01379	1.4
85.02937	1.4
89.02443	1.4
93.03455	0.7
95.50183	0.4
101.02450	1.5
107.01414	0.8
113.02426	1.1
117.03503	0.8
119.03513	0.7
133.02919	0.6
135.03008	0.8
135.04532	0.8
136.01921	0.4
149.02388	0.6
151.00369	1.2
154.99834	1.1
161.04558	0.5
165.12799	0.6
172.05243	0.5
173.04538	1.0
175.04065	0.5
177.05566	1.2
189.05580	0.8
191.05669	0.8
201.05602	0.6
239.03482	0.9
240.04271	1.5
265.99808	0.4
268.03787	52.2
269.04498	21.4
270.04935	1.7
285.04010	3.3
286.04306	1.4
287.04565	1.1
311.05392	0.8
326.20898	0.5
409.85687	0.5
431.09866	100.0
431.67065	0.5
432.10257	13.2
447.09219	0.8
447.58221	0.4
528.76208	0.5
600.34088	1.0
601.34540	0.6
703.65820	0.6
719.36035	0.6
743.27448	0.8
780.39697	1.5
781.39929	1.9
898.43073	1.1
899.42065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	4.1
71.01391	100.0
72.99287	9.2
73.02930	15.3
73.33677	3.5
83.01378	10.8
85.02963	54.8
85.15864	3.3
87.00858	9.0
89.02453	49.8
95.01414	17.4
96.96003	3.6
97.02992	3.3
98.21745	7.5
98.36600	2.9
99.00912	5.5
101.02458	53.4
101.18671	2.9
113.01736	5.9
113.02467	79.2
119.03499	19.5
125.02464	6.3
131.03627	4.6
143.03491	8.1
143.19606	2.9
154.69891	3.0
161.04488	16.2
179.03622	3.2
179.05621	10.0
191.05650	4.6
256.10910	3.3
269.04691	5.7
285.04056	3.5
357.33398	3.2
602.83624	3.6
633.38605	11.1
651.39966	18.0
693.40778	4.8
744.98755	3.7
771.02875	3.5
795.30017	6.2
795.43842	91.1
796.44159	19.7
813.44977	87.6
814.45203	24.5
855.46387	53.4
856.45691	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	899.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87381	2.4
69.03450	2.9
69.06575	16.6
71.01387	100.0
72.76246	1.9
72.99300	6.5
73.02962	18.1
78.99142	2.1
83.01403	9.8
85.02962	33.1
85.30569	2.2
87.00426	2.1
87.00880	9.7
89.02459	49.5
95.01398	7.9
97.02953	6.8
98.21793	4.9
99.00892	4.0
101.02451	51.5
107.33529	1.9
109.78603	2.3
111.00915	2.6
113.02460	36.6
113.04684	1.9
119.03512	21.0
124.01678	2.4
125.02450	10.9
131.03508	7.9
135.02998	2.6
143.03479	7.7
161.04579	15.2
162.49907	2.1
179.05608	14.0
195.09984	2.0
203.05563	5.4
215.41101	2.2
221.06697	6.8
243.10378	2.1
319.60345	2.5
598.82880	2.3
609.51965	2.5
633.38239	9.2
651.39349	10.3
739.30627	2.3
795.43817	98.4
796.44086	26.7
813.45123	56.0
814.45563	13.2
855.46228	25.0
856.45795	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	901.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	7.1
71.28009	1.5
73.02951	6.3
79.39799	1.0
83.01395	8.9
83.05039	1.8
85.02958	2.3
87.00905	1.7
89.02463	1.3
90.08245	1.0
95.01433	1.1
97.02981	1.6
97.06611	1.5
99.00935	1.1
99.04534	100.0
100.04852	1.8
101.02444	6.3
107.05000	1.1
113.02470	4.1
119.08728	2.2
121.06584	2.2
123.04548	1.3
125.02464	1.9
125.06058	3.1
135.08174	3.9
137.06091	1.4
137.09743	6.8
141.05530	1.6
148.05293	1.1
149.06137	1.1
149.09735	1.6
151.11278	1.2
161.02376	1.3
161.09752	6.6
162.03329	1.7
163.07686	10.3
165.05603	1.3
165.09247	1.5
175.11366	1.2
177.05586	2.8
179.03473	2.5
179.10841	6.8
181.08727	14.3
193.12451	1.3
194.05804	2.6
195.10291	1.4
197.11836	7.9
203.10757	1.1
205.08612	1.4
209.08226	4.8
223.09775	12.9
229.08723	2.4
230.58885	1.0
241.10828	15.8
242.11185	1.1
247.09744	2.3
265.10910	5.3
283.11996	3.5
289.10681	1.8
307.11987	4.0
313.12991	2.7
325.12976	8.2
326.13174	1.1
385.15073	32.8
386.15402	3.0
485.20303	5.5
595.24323	5.3
596.23859	1.5
677.28204	53.4
678.28735	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	901.336
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.5
71.01393	4.0
71.05029	0.5
72.99288	0.4
73.02955	4.6
75.00866	0.4
75.23450	0.3
79.05535	0.6
81.03429	0.4
83.01395	7.8
83.05032	1.6
85.02969	1.7
87.00879	1.0
89.02458	1.0
93.01163	0.3
95.05042	1.2
97.02962	2.1
97.06602	0.8
99.04533	100.0
100.04873	2.3
101.02445	4.4
107.05040	1.2
109.03004	0.5
109.06609	1.5
111.04548	0.7
113.02481	2.1
113.06073	0.6
119.03484	0.4
119.08660	1.5
120.05825	0.5
121.06622	2.0
123.04555	1.0
123.08206	0.5
123.86103	0.3
124.05348	0.5
125.02452	1.3
125.06091	2.2
133.10182	0.5
134.03763	0.4
135.04576	0.5
135.08173	2.8
135.11807	0.6
137.06104	0.5
137.09743	6.7
141.05580	1.3
143.03517	0.9
147.08174	0.5
148.05367	0.6
149.06046	0.5
149.09673	0.8
153.05579	0.4
153.09273	0.5
159.08104	0.8
159.11787	0.4
161.02435	1.7
161.04584	0.6
161.09737	5.2
162.03247	2.3
163.07674	9.2
164.08057	0.5
165.05568	0.5
165.09247	1.4
175.11359	0.6
176.04811	1.6
177.05606	3.7
177.09193	1.3
178.05852	0.5
179.03522	2.7
179.10793	4.4
180.11148	0.4
181.08722	13.4
191.10892	0.5
193.12396	0.5
194.05850	3.0
195.06415	0.5
195.10262	1.4
197.11835	6.4
203.10822	1.9
205.08713	1.6
209.08212	4.8
219.10408	0.4
220.86765	0.4
221.11826	1.5
223.09782	11.0
224.10098	0.7
229.08754	1.4
237.11412	0.8
241.10840	12.3
242.11142	0.7
247.09760	3.5
261.11551	0.4
265.10800	5.7
283.11865	4.3
289.10907	1.7
295.11972	0.6
307.12009	3.5
313.12936	2.0
325.12921	7.7
326.13385	0.9
367.13916	1.0
385.15109	27.2
386.15530	2.8
394.88904	0.4
425.18469	0.4
485.20270	3.7
486.20859	0.6
569.95959	0.4
595.24023	8.0
596.24573	0.9
677.28204	56.7
678.28436	14.8
753.19214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57897	0.3
67.01889	0.5
68.99820	0.6
69.03450	0.4
69.52506	1.1
69.52914	0.7
71.01390	7.8
72.99318	2.4
73.02957	0.8
75.00443	0.4
75.00880	8.8
81.40089	0.3
83.01360	0.6
85.02959	10.1
87.00886	3.6
89.02461	2.3
93.03469	1.7
95.01411	3.1
97.16763	0.3
99.00890	5.8
101.02439	0.5
101.06091	64.6
102.06434	1.6
103.00385	1.1
109.03011	0.3
111.00895	0.4
111.04539	0.5
113.02464	10.5
114.02815	0.4
115.00396	1.0
117.01970	1.8
119.05059	0.6
124.92987	0.3
129.01932	0.9
131.03487	0.5
133.02940	0.9
135.04579	0.4
157.01439	0.5
161.04633	0.4
163.04047	0.7
166.93262	0.4
173.04541	0.8
175.02528	1.5
189.04080	0.5
191.05612	5.4
192.06300	0.3
193.05072	0.5
193.62428	0.3
223.06345	0.4
231.05067	1.0
249.06168	9.2
266.35986	0.3
291.10800	0.5
333.11899	1.1
336.05994	0.3
337.09338	1.7
351.12976	100.0
352.13303	7.9
470.39487	0.4
475.12106	0.3
549.22003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	1.0
71.01388	31.6
72.99317	6.5
73.02955	17.8
75.00874	0.7
78.95921	1.3
83.01391	3.5
85.02961	18.0
85.03484	1.0
86.00095	1.9
87.00887	9.7
87.04517	2.8
89.02457	27.2
96.96040	0.7
97.02955	0.6
99.00909	1.7
99.04534	1.3
101.02456	40.0
102.02794	0.7
103.04026	22.8
109.03028	0.8
113.02460	4.8
115.00375	0.6
115.04037	3.6
119.03515	18.9
125.02446	0.7
127.04035	2.5
131.03505	7.2
143.03522	8.5
145.05081	8.5
161.04529	1.3
163.06143	100.0
164.06416	3.3
191.05598	1.0
205.07195	15.4
217.99475	0.6
247.08250	46.1
248.08536	1.4
305.44434	0.7
307.10367	6.2
325.11456	2.3
517.31824	1.5
935.52631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.309
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12887	1.0
67.65613	1.2
71.01389	17.7
73.02949	5.2
83.01407	3.4
85.02975	8.2
87.00905	1.9
87.92200	1.3
89.02460	4.3
95.01421	2.0
98.21798	4.6
99.00891	1.9
101.02444	11.9
107.01381	1.5
108.02175	1.5
108.79184	1.0
113.02461	9.3
114.10175	1.1
119.03517	2.7
132.85722	1.2
133.03047	1.3
143.03539	1.4
151.00369	2.6
152.01245	2.0
161.04604	5.6
267.02963	2.4
268.03809	77.1
269.04501	33.9
270.04849	1.7
285.03995	9.5
286.04608	1.9
369.19244	1.8
387.20306	20.3
388.20798	1.9
429.21387	14.9
430.21506	1.9
431.09875	100.0
432.10153	11.5
447.09195	1.5
501.31696	1.1
525.03113	1.2
829.79236	1.3
905.29462	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	905.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	0.4
71.01387	0.5
83.01388	0.5
88.12821	0.3
89.02413	0.3
98.21770	0.9
100.32207	0.2
101.02419	0.3
107.01398	1.2
109.76662	0.2
119.78610	0.2
125.02477	0.3
133.02962	5.8
133.03912	0.4
134.03484	0.3
135.02997	0.6
149.02484	1.4
151.00371	5.0
161.60155	0.2
168.58926	0.2
175.04013	2.2
189.05566	0.3
199.04025	1.8
201.01955	0.6
217.05136	1.2
229.76701	0.3
229.78754	0.3
241.05104	0.8
243.03084	0.5
256.03799	1.5
257.04440	0.6
284.03256	4.0
285.04065	100.0
286.04431	9.0
447.09369	56.7
448.09750	7.3
448.14581	0.2
745.49030	0.3
761.61475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01909	1.1
68.99807	1.2
69.03455	1.4
71.01393	8.8
71.26256	0.8
72.99319	3.3
73.02946	1.1
75.00496	0.8
75.00880	10.4
81.03452	1.0
83.16225	0.6
83.63599	0.6
85.02957	11.5
87.00898	3.3
89.02452	1.8
91.04021	0.8
93.03458	1.7
95.01403	2.8
96.96028	0.9
99.00882	7.1
103.00373	0.7
109.03001	0.7
111.00921	0.5
113.02460	12.0
115.00376	1.1
117.01946	1.5
121.02968	52.5
122.03297	1.4
125.02466	1.9
129.01982	0.8
134.03752	2.0
155.79004	0.6
161.02507	0.7
161.04472	0.7
175.02512	1.5
189.04002	0.9
191.05557	0.8
193.05049	1.4
205.03543	1.9
231.05086	3.4
249.06174	38.6
250.06531	2.1
353.08823	1.2
371.09863	100.0
372.10281	10.4
381.08392	2.3
403.09833	0.7
583.24158	1.4
584.23645	0.8
603.51990	0.7
848.40442	0.8
878.49524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80492	1.0
69.17505	10.6
70.00024	1.2
71.01392	24.6
72.99323	2.5
73.02934	1.8
77.86741	1.2
85.02968	6.5
87.00877	1.2
89.02460	24.4
89.02983	0.9
93.03475	3.9
98.21824	2.8
101.02457	11.6
104.19387	1.3
113.02464	9.1
119.03515	9.8
121.02944	9.1
122.03753	18.1
124.01582	1.6
133.02939	2.1
135.04532	4.7
136.01671	11.6
137.02467	2.2
143.03484	1.9
146.03705	1.3
149.02470	29.1
150.03242	100.0
150.62794	1.2
151.00446	2.0
151.04044	14.1
153.05525	1.5
154.93282	1.1
161.04584	3.1
163.04050	1.5
164.04797	7.2
165.05588	84.3
166.02693	7.2
166.05930	4.4
167.03445	2.0
172.05247	1.7
175.03998	4.2
177.05574	1.2
179.05605	8.6
179.07091	2.3
180.04329	6.1
181.05115	10.3
184.25172	1.2
189.05612	2.5
190.06410	3.6
195.06639	44.8
196.07013	2.1
242.40781	1.2
266.05914	1.6
284.03476	2.1
285.04172	6.0
324.09998	1.9
325.55194	1.2
329.10306	1.9
339.12430	5.3
342.10889	1.8
357.09656	2.4
357.13522	6.0
369.13248	7.1
387.14468	22.3
388.14813	1.4
447.09341	6.0
448.09354	1.4
449.16028	1.6
505.18637	4.0
506.18903	1.9
517.18591	2.4
531.18677	3.4
535.11621	2.4
535.19727	39.6
535.27502	2.6
536.20331	7.0
565.20697	4.9
583.21906	58.8
584.22125	10.7
679.24084	1.9
697.24945	25.8
698.24640	6.3
745.27167	40.9
746.27228	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	907.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	39.2
71.26854	2.3
72.99303	4.0
73.02945	3.0
83.01397	1.2
85.02972	9.4
85.22646	0.9
87.00891	2.3
87.30597	1.0
89.02455	39.6
89.79289	1.0
93.03455	3.6
95.01414	3.4
101.02460	20.4
105.03452	1.1
109.02891	1.2
113.02456	15.2
119.03529	15.8
120.01267	16.4
121.02948	5.9
122.03771	14.6
123.04552	1.8
131.03542	1.7
133.02975	2.4
135.04512	1.7
136.01689	7.9
137.02501	3.0
138.03226	2.7
138.59575	1.1
143.03528	2.9
149.02457	24.3
149.04497	2.5
150.03246	100.0
151.00455	1.9
151.04062	6.8
153.05646	2.1
161.02530	1.4
161.04568	6.8
162.03258	9.1
164.04822	5.9
165.05585	96.8
166.02705	4.2
166.05911	4.7
175.04036	2.4
177.05608	4.7
179.05643	16.5
180.04369	6.3
181.05098	7.0
195.06650	58.4
196.06894	2.3
203.07169	2.5
283.09769	2.2
285.04343	1.5
294.05478	1.6
309.07736	2.0
324.10016	2.6
335.15863	1.2
339.08844	1.7
339.12427	7.4
340.12912	1.3
357.13519	2.4
369.13513	9.9
387.14450	11.3
388.14755	2.1
517.18738	7.4
518.18298	1.5
519.18372	1.5
531.19055	7.0
535.19818	3.3
549.18756	1.4
583.21759	24.7
584.22137	4.7
679.23682	2.7
697.25153	14.5
698.25153	3.1
727.26001	2.4
745.27173	44.0
746.27490	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	907.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24242	2.9
71.01389	100.0
72.99313	3.4
73.02955	36.6
75.00884	5.3
75.97150	3.6
83.01405	12.7
85.02954	32.6
87.00902	11.8
89.02451	56.3
95.01409	7.5
99.00916	7.4
101.02454	68.2
113.02464	46.1
119.03535	25.1
120.24123	3.2
125.02438	4.2
133.44104	3.9
135.03067	3.8
143.03531	7.2
149.04587	5.5
161.04597	27.2
173.09750	4.8
179.05661	5.5
189.12857	20.6
207.13889	4.3
221.06714	5.1
265.20572	4.0
285.03903	4.8
288.71539	3.7
369.19333	11.3
387.20334	46.3
429.21304	73.0
430.21716	10.0
433.24573	42.7
434.24884	7.0
789.38281	7.9
835.41693	4.2
907.40784	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	907.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61906	2.9
71.01390	100.0
72.99307	5.0
73.02963	41.5
74.79246	2.9
77.41652	2.4
83.01416	8.7
85.02965	29.4
87.00868	6.4
89.02451	61.0
95.01411	7.2
96.04052	2.3
96.45171	2.3
98.21761	9.8
101.02464	63.7
110.66938	2.6
111.04465	3.3
113.02466	38.4
119.03490	22.8
125.02457	3.6
131.03510	5.1
143.03546	7.0
159.03047	3.4
161.04582	28.4
173.09785	3.8
179.05614	7.9
189.12881	31.6
207.13979	4.0
229.65131	3.6
271.06192	3.4
271.19131	4.2
369.19150	19.2
387.20285	45.3
388.20670	4.5
389.18271	5.1
429.21356	87.0
430.21716	13.3
433.24600	48.3
434.25055	3.8
471.78638	3.0
494.57321	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	909.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95457	1.8
68.95874	1.2
71.01395	0.3
85.02965	0.4
90.10259	0.3
93.03464	1.6
106.58871	0.3
109.02993	0.6
113.02486	0.4
119.05019	1.3
121.02980	5.0
129.03503	1.9
130.04251	0.5
134.03755	4.6
135.04544	3.9
137.02496	0.7
145.02969	1.0
146.03754	4.7
147.04544	12.6
148.04845	0.3
149.02460	35.4
149.06088	8.3
150.02838	1.4
150.06444	0.4
151.04037	0.7
152.01161	7.5
153.42165	0.3
161.06113	2.3
162.03279	0.3
163.04030	10.7
164.04814	32.3
165.01933	1.5
165.05585	22.9
166.05936	1.1
167.03572	1.3
169.03725	0.4
169.05077	2.8
177.05611	0.7
179.07156	23.8
180.04309	0.4
180.07513	1.1
193.01436	15.9
194.01790	0.4
195.02916	0.3
207.02942	0.3
208.03789	40.3
208.30913	0.3
209.04108	2.6
219.06659	2.0
223.06134	100.0
224.06471	6.0
233.04477	0.3
237.07718	0.7
265.07266	0.5
267.07169	0.8
313.10828	8.1
314.11212	1.0
325.10788	1.4
326.11160	0.4
327.10880	4.1
343.11914	6.7
344.12122	0.9
361.12994	11.8
362.13419	1.3
385.11441	16.8
386.11716	1.6
485.17816	0.3
714.50195	0.3
790.30225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	4.3
70.03857	1.3
71.01392	80.7
71.27330	1.7
72.99305	2.0
73.02957	100.0
74.03282	2.5
75.00864	1.6
80.10316	1.3
82.03699	1.5
83.01397	31.5
85.02943	9.1
87.00878	3.1
89.02457	15.3
95.01394	2.0
97.02957	3.5
101.02457	86.2
102.02817	1.9
103.25948	1.4
105.26732	1.4
105.80824	1.5
113.02466	31.9
119.03522	11.0
125.02473	5.0
127.62843	1.5
131.03494	8.8
143.03540	7.3
147.03003	1.8
149.04584	14.4
155.03534	3.3
161.04579	30.7
162.04984	2.4
162.87874	1.5
168.85175	1.3
177.78876	1.5
189.12933	8.7
203.05545	4.7
221.06641	7.2
271.38123	1.4
285.03995	1.8
308.41702	1.9
567.99182	1.8
583.37781	1.9
720.73828	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	913.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	0.7
70.56938	0.4
79.01463	0.2
83.01358	0.2
89.00439	0.1
93.03458	0.5
94.03831	0.2
101.02421	0.3
105.03505	0.3
107.01400	1.4
113.02365	0.2
117.03483	3.1
118.03851	0.2
135.04568	0.4
149.02425	0.7
151.00366	0.9
159.04515	1.2
161.02437	0.7
169.06630	0.3
181.06656	0.5
183.04549	0.7
195.04659	0.2
196.05301	0.4
197.06100	0.5
201.05641	0.4
203.03546	0.2
206.05199	0.1
224.04774	0.3
225.05640	0.9
227.03479	0.8
240.04407	0.3
241.04611	0.1
268.00906	0.3
268.03812	6.8
269.04572	100.0
270.04901	8.0
286.34741	0.2
291.06720	0.3
297.48813	0.2
311.05627	3.3
311.09052	0.3
312.05881	0.3
335.05701	0.2
413.08823	0.2
473.10919	5.6
474.11398	0.8
615.63080	0.2
646.65582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99825	8.9
71.01393	44.0
72.05894	3.6
72.99339	6.3
73.02952	43.6
78.92648	3.7
83.01436	4.5
85.02959	24.8
86.00115	5.9
87.00877	27.1
87.04522	10.0
89.02462	18.7
97.01350	4.5
101.02451	48.6
103.04052	19.7
113.02472	12.3
115.04043	7.0
119.03522	8.2
125.02477	4.8
128.41832	4.8
131.03561	19.7
143.03503	22.6
145.05077	5.3
163.06146	57.1
205.07210	30.3
247.08296	15.6
261.46613	4.0
265.09409	5.2
276.76819	3.9
285.04059	6.4
315.17398	3.7
352.85339	4.3
375.27203	5.8
379.30130	7.7
391.30270	21.8
407.29803	10.2
435.29050	9.2
457.33383	8.7
501.32312	89.7
502.32755	19.7
519.33356	100.0
520.33527	14.3
561.34369	54.8
562.34528	14.3
605.36859	6.6
670.09009	4.6
707.40393	58.1
708.40582	13.4
938.95404	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	915.446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03472	1.6
71.01392	100.0
71.05017	3.0
72.01736	1.1
72.99328	7.0
73.02957	17.0
75.00892	2.7
76.21622	1.0
81.03475	1.1
82.39372	1.2
82.95415	1.2
83.01402	8.9
85.02534	1.0
85.02957	35.0
87.00867	7.1
89.02457	46.6
95.01396	10.1
97.02970	3.3
98.92993	1.2
99.00904	6.6
101.02457	56.4
111.00883	3.2
112.01678	1.0
113.02470	41.2
114.02777	1.1
119.03513	17.9
124.01668	2.4
125.02476	5.9
129.01949	1.9
131.03543	1.9
143.03506	4.7
143.10815	1.9
149.04562	1.4
150.03204	1.1
159.03000	3.8
161.04590	14.2
175.03973	1.5
179.05652	4.4
191.05606	2.3
207.14508	1.0
260.33340	1.3
284.03290	1.2
285.03864	2.4
325.27533	1.4
343.28839	1.6
365.88043	1.1
403.16525	1.1
469.31845	5.9
487.32825	19.4
488.33304	3.4
494.67590	1.3
505.34033	1.7
541.97321	1.3
631.37262	7.2
632.63434	1.3
649.38226	17.2
650.38336	3.9
667.39508	9.1
668.39264	1.9
709.40692	2.1
811.43420	88.2
812.43823	18.8
829.44446	46.6
829.56946	0.8
829.60333	1.6
830.44727	10.3
869.43738	1.4
871.45544	31.9
872.45935	10.2
915.35712	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	915.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72588	1.0
71.01389	100.0
72.01734	1.5
72.99305	8.9
73.02959	12.3
75.00858	2.8
77.79504	1.0
82.95418	4.9
83.01392	10.7
84.39843	1.2
85.02961	35.4
87.00873	7.5
88.98805	1.4
89.02453	49.2
95.01408	8.8
97.02988	2.5
99.00893	6.1
101.02456	52.5
103.04011	1.2
104.06619	1.1
110.20952	1.0
111.00881	3.7
113.02462	36.3
119.03512	14.7
124.01668	1.3
125.02454	3.4
129.01950	1.9
131.03502	2.3
139.00401	1.7
140.91168	1.1
143.03500	4.3
149.04610	1.5
150.03201	1.8
153.22598	1.1
159.03020	3.1
161.04564	11.9
179.05603	3.1
191.05615	1.3
226.92224	1.2
227.12933	2.3
285.03854	2.2
287.15054	1.7
325.27536	1.6
469.31802	5.4
487.32816	23.1
488.33121	5.4
529.33691	2.8
579.02338	1.3
631.36859	5.9
649.38037	14.3
650.38324	2.5
667.39209	12.4
691.38556	1.7
709.40173	2.7
811.43359	81.8
812.43732	18.2
829.44452	44.1
830.44916	9.7
871.45514	36.4
872.45667	10.8
915.31628	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	917.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	3.7
71.05030	1.7
71.45762	0.9
73.02944	1.5
85.02956	1.1
87.00890	36.4
93.03463	1.1
95.05041	5.1
97.02963	2.0
98.21793	1.5
99.04532	100.0
100.04893	2.4
101.02474	2.5
103.49663	0.8
104.28214	0.8
105.41304	0.7
113.02390	1.0
123.04538	1.4
125.09736	3.8
129.01883	1.0
133.10162	0.9
135.04549	1.1
135.08235	1.5
137.49072	0.9
139.04031	1.8
143.03503	0.8
148.64624	0.9
150.03152	1.4
151.04004	1.2
151.07674	5.5
151.11281	2.2
153.09219	0.9
161.02496	1.7
162.03191	1.0
165.05557	1.5
169.08687	7.2
177.05553	1.2
177.09299	3.8
179.03569	2.2
191.05632	1.3
194.05888	3.2
195.06615	1.5
195.10294	3.6
197.08221	1.8
209.08195	4.5
221.08223	1.4
226.26833	0.7
239.09251	3.9
257.10379	2.0
263.09564	0.8
281.10455	5.3
299.11545	0.7
309.87186	0.9
313.13043	3.0
329.12244	1.0
339.14520	1.0
341.12515	2.5
383.13095	1.2
401.14499	7.2
413.18408	3.8
439.19717	1.1
541.64807	0.8
580.80975	0.9
611.23529	3.8
612.24194	1.1
693.15491	1.8
693.27631	28.2
694.28119	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	917.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20300	1.0
69.19420	9.3
71.01387	36.4
72.99309	2.1
73.02951	12.4
80.48656	1.1
83.01406	4.8
85.02967	9.4
87.00869	2.0
88.02901	1.1
89.02462	16.7
95.01405	2.3
97.02943	1.3
101.02460	15.8
113.02469	16.2
119.03528	6.3
131.03528	2.2
135.04559	1.3
143.03506	2.6
149.04556	2.3
161.04556	9.0
177.09166	3.5
179.05579	2.2
189.12869	2.9
195.10278	7.6
196.10591	1.1
198.12067	1.1
247.25832	1.2
339.14539	13.1
340.15002	2.0
357.15579	25.0
358.15958	3.4
369.18903	1.4
387.20105	2.4
399.16632	100.0
400.16928	13.1
429.21274	4.8
499.75638	1.1
716.31567	1.4
736.36615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.23063	2.6
69.03477	2.9
71.01389	97.9
72.99309	5.9
73.02954	17.2
73.97047	2.8
75.00877	4.3
81.03478	3.4
83.01392	14.9
84.95152	2.8
85.00456	6.0
85.02959	47.1
87.00907	10.7
89.02462	34.4
95.01357	11.9
96.96038	2.6
98.21805	6.4
99.00896	9.9
101.02455	59.7
111.00905	6.2
113.02465	44.2
113.42704	2.2
119.03561	13.4
124.01708	3.6
125.02449	11.5
135.04492	2.2
143.03510	6.0
145.25378	2.9
147.77484	2.3
161.04576	8.4
169.27518	2.3
179.05618	3.3
182.60786	2.2
191.05623	6.2
281.72824	3.0
285.03918	5.4
306.80154	2.5
345.30066	5.0
379.16467	2.8
396.49338	2.4
398.54697	3.0
423.25385	2.7
507.35529	10.6
651.39807	20.2
669.40820	26.4
670.41229	5.5
711.41498	3.9
719.85773	3.0
813.44952	100.0
814.45331	23.2
831.46002	91.2
831.87573	2.9
832.46436	25.4
873.47113	74.9
874.47351	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	917.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.6
69.33840	7.2
69.34244	2.6
71.01391	59.1
72.99320	4.8
73.02957	13.5
74.38119	1.4
75.00876	1.6
81.03472	2.1
83.01407	9.7
85.02960	27.5
86.00084	2.4
87.00874	7.3
88.98804	1.7
89.02460	23.9
95.01411	7.0
99.00883	4.8
101.02447	34.4
111.00874	4.3
112.01653	2.2
113.01653	1.7
113.02458	27.0
119.03502	8.3
124.01679	2.6
125.02458	5.3
135.04503	1.9
137.02350	1.4
143.03477	3.6
152.31114	1.5
159.02965	2.1
159.04530	1.3
161.04581	4.2
171.87744	1.5
177.05664	1.7
191.05638	5.2
223.06140	1.7
269.04599	15.6
270.04886	8.0
271.05002	2.3
285.04041	2.3
345.29968	2.7
387.31384	1.4
398.23627	1.5
489.34235	2.9
507.35477	2.9
604.24860	1.6
633.37866	2.6
651.39545	9.9
669.40704	8.4
687.45410	1.7
813.45050	100.0
814.45258	24.1
831.46033	45.7
832.46979	9.0
873.46991	33.2
874.47803	9.2
925.93707	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	921.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.5
71.27756	0.3
74.60667	0.2
83.01397	0.4
88.12868	0.3
89.20281	0.3
92.37496	0.2
98.22360	0.3
101.02444	0.2
107.01389	1.1
109.02946	0.3
119.03475	0.2
133.02965	2.5
134.03749	0.4
149.02440	0.7
151.00380	2.3
161.02440	0.2
169.01392	0.3
175.03978	1.1
191.05641	0.2
199.04036	1.3
200.04871	0.3
201.02000	0.4
202.02467	0.2
211.04079	0.5
214.02695	0.2
217.05009	0.5
227.03500	0.8
228.04286	0.2
236.10779	0.2
239.03529	0.3
241.05072	0.5
243.02975	0.5
249.40945	0.3
255.03099	0.6
256.03781	2.2
257.04422	0.4
283.02344	0.4
284.03302	39.2
285.04074	90.4
286.04407	7.7
297.04071	0.5
327.05075	0.9
390.13568	0.3
429.21405	0.5
447.09384	100.0
448.09735	13.5
545.88556	0.2
612.32623	0.3
620.22430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.5
68.99818	1.5
71.01028	0.8
71.01390	8.2
71.26620	0.9
72.99309	2.0
73.02949	1.3
75.00492	0.8
75.00884	8.8
81.03439	0.5
83.01384	0.8
85.02962	11.7
87.00880	3.7
89.02480	2.5
92.72497	0.5
93.03482	1.0
95.01402	3.4
96.96037	0.6
99.00893	5.9
103.00358	1.0
107.09457	0.4
109.02965	0.9
111.00896	0.6
113.02470	12.1
115.00354	0.9
117.01985	1.5
121.02976	49.7
122.03313	1.7
129.01945	1.1
133.68068	0.5
135.04533	0.5
157.01442	0.5
175.02438	1.5
189.03981	0.9
231.05116	3.7
249.06187	35.0
250.06473	2.0
309.74423	0.5
351.39240	0.5
353.08878	1.5
371.09860	100.0
372.10129	9.2
441.91803	0.5
488.47507	0.5
815.27301	0.5
822.72681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	8.5
69.03436	3.6
69.26750	17.0
71.01385	27.8
72.99326	2.3
73.02958	4.6
75.00851	4.2
83.01395	6.1
85.02950	13.1
87.00894	4.3
89.02439	12.4
95.01417	4.1
96.96050	3.3
99.00905	9.6
101.02437	12.8
111.00860	4.0
113.02454	14.9
113.99599	19.7
115.00395	9.7
115.61438	2.6
116.99641	2.3
119.03483	4.4
129.01961	3.2
151.00333	3.0
152.12628	2.5
166.02753	3.6
167.14461	10.4
181.05072	3.9
211.13403	14.9
229.14487	9.7
272.18814	8.6
277.05621	20.2
281.21365	3.3
285.04132	8.4
337.07690	3.7
369.93753	2.7
389.73029	2.6
417.15961	4.6
434.24167	11.5
602.35724	13.1
922.42926	100.0
923.43365	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	7.8
69.06316	3.0
69.06730	11.7
71.01385	24.3
72.99315	2.2
73.02956	5.6
80.59864	1.4
82.59838	1.3
83.01400	5.8
85.02960	16.5
85.78178	1.7
87.00896	5.4
89.02470	12.1
95.01417	5.1
99.00890	10.3
101.02465	14.4
111.00898	3.4
113.02471	16.0
113.06110	2.3
113.99600	21.1
115.00403	8.7
116.92863	2.9
119.03528	2.8
127.00411	2.5
129.01974	2.6
139.00436	1.8
141.01904	1.6
154.08698	1.6
156.10254	1.7
157.01457	6.9
161.04567	2.1
167.14415	9.3
174.11353	10.2
211.13412	8.1
229.14514	7.4
237.18636	2.1
265.18155	4.8
272.18677	2.6
277.05701	20.5
281.21347	3.8
285.04160	7.6
308.22440	3.7
337.07996	3.6
360.08398	1.5
488.28949	3.1
516.57935	1.5
602.35712	15.8
603.35773	3.2
765.52740	1.5
854.04529	1.7
922.42993	100.0
923.43402	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	48.8
72.99297	3.9
73.02954	3.4
75.00881	18.1
76.53226	2.3
80.05077	3.2
83.01396	3.8
85.02943	8.3
86.60119	2.8
87.00885	4.4
89.02457	30.0
95.01406	5.0
96.96031	2.4
98.22569	8.8
100.53777	2.6
101.02465	25.4
103.53563	2.8
106.06628	10.8
107.03770	4.8
113.02465	15.8
119.03512	8.0
119.34043	2.7
120.08208	21.6
122.06149	32.8
132.04543	9.5
134.06140	64.8
135.03020	25.0
136.07684	3.4
148.05354	3.4
150.05695	3.6
152.07155	16.7
190.05144	2.9
191.05663	3.6
213.10367	3.9
215.11903	3.1
223.08762	7.5
224.09398	3.2
225.10278	5.6
237.10342	9.9
238.11148	5.1
239.11969	10.0
241.13507	6.0
243.15024	2.7
249.06754	4.6
249.10493	3.5
250.07236	2.4
251.08154	13.1
251.11882	12.4
253.13474	13.8
263.08185	3.9
263.11853	3.2
264.09082	9.9
265.09763	17.5
265.13379	5.2
277.09689	8.7
278.10483	5.4
279.11438	32.6
279.28622	2.3
280.12000	10.5
281.12952	8.5
285.04089	5.2
285.12442	4.7
287.14105	7.6
291.11493	5.9
292.12152	6.9
293.13080	3.3
307.11023	4.6
314.12460	4.5
324.11203	5.5
325.12030	3.2
348.19836	2.4
370.15424	4.7
384.17435	5.3
398.14862	3.0
402.17975	4.0
426.18146	3.8
439.89478	2.9
444.19492	5.1
459.17719	3.2
471.17844	3.1
472.18860	3.2
490.19852	8.2
580.26233	5.2
606.24377	4.5
624.25696	13.3
625.26263	8.8
650.22937	7.1
651.23926	11.4
652.24628	3.4
682.25940	2.7
687.29993	3.7
729.31244	10.5
730.31659	3.8
747.32550	81.6
748.33044	19.9
755.29224	8.3
773.30469	100.0
774.30731	25.1
805.33105	26.7
806.32947	7.6
891.33051	62.1
892.33392	21.0
923.34430	13.1
924.34424	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	925.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
66.18140	0.6
69.02168	3.1
69.02598	2.4
70.81976	0.6
71.01395	17.9
72.99302	1.2
73.02962	7.7
81.03471	5.4
83.01414	2.1
83.05034	9.4
85.02956	4.8
85.50532	0.5
87.00871	1.2
89.02464	8.4
95.01388	1.8
99.00900	1.4
101.02455	8.8
113.02477	8.0
119.03530	3.7
125.07214	0.5
131.03488	1.1
143.03534	0.6
144.79143	0.7
161.04594	4.5
173.09731	1.1
179.05635	1.9
189.12894	7.1
207.13777	1.2
224.17703	1.6
225.16109	7.9
242.18761	0.9
272.77246	0.5
324.26694	0.7
333.22946	1.6
345.42838	0.6
367.27173	1.4
369.19125	4.0
370.01834	0.6
387.20334	12.0
429.21359	15.3
430.21747	2.0
431.19107	0.6
433.31760	5.0
451.32950	100.0
452.33246	15.4
634.37585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
98.22580	4.6
113.74638	1.5
121.95213	1.3
129.56487	1.3
133.02884	1.7
147.45874	1.3
173.30322	1.4
284.03281	33.3
285.04062	69.9
286.04510	7.7
325.11682	1.5
398.41690	1.5
420.12704	1.5
447.09402	100.0
448.09625	14.0
463.46942	1.9
602.68774	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	935.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00347	0.6
71.01398	0.3
85.02953	0.3
93.03475	0.3
101.02444	0.4
107.01400	1.0
107.22137	0.2
117.03476	2.4
135.04526	0.4
149.02446	0.9
149.33844	0.3
151.00385	0.5
159.04539	1.3
161.02432	0.5
165.09328	0.2
169.06651	0.2
181.06662	0.4
183.04530	0.6
196.05365	0.4
197.06085	0.5
201.05614	0.6
225.05557	0.9
227.03503	0.3
229.16585	0.4
253.05093	0.3
268.03793	5.9
269.04568	100.0
270.04910	6.6
291.06680	0.6
294.86591	0.2
311.05682	2.9
312.05807	0.4
413.08865	0.6
473.10916	4.5
474.11258	0.6
479.30966	0.3
535.04419	0.2
708.51410	0.2
836.52124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.7
71.01389	4.2
72.99322	1.1
73.02964	0.8
74.13164	0.5
75.00878	8.8
79.05530	0.8
85.02964	1.1
87.00877	1.1
89.02453	3.1
95.05031	0.9
101.02464	1.7
102.98627	0.7
105.52690	0.5
108.04603	0.6
113.02462	0.9
117.01977	0.9
119.03534	0.9
120.04560	3.1
121.05336	1.9
122.06149	5.6
134.06126	4.2
135.03017	35.4
135.06924	1.6
136.03333	0.9
136.07697	14.3
137.08002	0.5
150.03186	0.8
158.02516	0.8
159.05687	0.5
161.07216	1.4
161.32462	0.5
162.05615	0.5
162.69402	0.5
165.01990	0.7
165.05545	1.0
171.11813	1.7
179.03650	0.5
185.08763	0.5
186.09451	0.5
189.10213	0.9
190.05136	1.9
191.05574	1.0
195.06625	1.1
198.09329	2.7
199.10046	1.7
214.07430	0.7
214.12411	12.1
215.12767	0.8
223.06050	0.7
226.07515	1.8
227.08228	2.4
229.09816	3.0
230.11917	3.1
241.09845	31.7
242.10587	19.9
243.11044	1.3
255.11472	0.9
256.12216	7.8
257.12979	100.0
258.13281	7.7
267.07693	1.1
269.04544	4.8
270.04922	0.6
281.09308	0.6
282.09915	0.6
283.05231	0.7
283.10873	9.6
284.11200	0.8
285.04181	2.6
300.11200	2.7
301.11945	37.1
302.12289	2.1
412.79858	0.6
418.13831	4.8
419.14636	65.6
420.14890	7.1
517.18280	4.8
518.18719	0.8
775.33380	0.7
787.28497	1.5
819.30884	2.3
905.31091	3.4
906.31549	0.6
937.33350	8.2
938.33899	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	939.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	70.6
73.02950	44.7
83.01397	17.4
85.02949	23.9
87.00894	14.0
89.02451	20.2
95.01390	12.3
97.02963	4.8
97.73167	4.3
99.00874	7.3
101.02464	46.6
107.66617	5.0
111.00964	4.6
113.02455	47.3
113.64066	4.5
119.03488	9.7
141.09288	25.8
143.03452	8.9
146.16501	4.0
161.04555	21.1
166.77144	4.4
176.23393	4.6
247.07906	4.9
281.18045	5.5
285.04205	6.8
301.80676	5.7
331.17569	40.5
337.08118	7.3
347.16757	5.3
349.18750	33.4
391.19794	55.2
392.20331	6.4
399.23901	100.0
400.24344	12.3
417.25040	14.4
459.26132	49.0
460.26523	10.1
562.60028	4.9
936.21857	5.3
939.40082	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	939.643
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18988	1.1
70.19324	0.8
71.01392	1.6
73.02955	0.8
73.77780	0.7
77.99699	0.5
83.01399	0.7
83.05022	1.3
85.78052	0.5
98.22408	0.7
101.02485	0.9
110.67815	0.6
150.03307	0.7
172.42610	0.5
182.72668	0.6
193.42854	0.6
199.72829	0.5
225.16136	0.9
232.16731	0.6
245.90985	0.5
248.31175	0.5
251.24706	0.6
281.34781	0.7
296.47760	0.7
383.69519	0.5
451.33258	0.7
534.84631	0.6
670.10529	0.6
903.66913	4.4
904.68030	1.1
937.38123	0.7
939.64294	100.0
940.64569	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55323	0.5
73.02917	0.7
77.61524	0.5
83.01378	1.0
85.02950	0.9
89.02442	1.4
99.00904	0.6
101.02430	1.1
113.02468	0.9
118.27555	0.5
119.03503	0.9
121.02973	0.6
134.03726	0.8
151.00331	0.8
168.10736	0.5
176.01163	5.5
177.01764	0.9
191.03528	2.8
191.05646	0.6
211.04143	0.6
227.03537	1.0
234.06479	0.5
255.03011	2.4
256.03708	2.7
277.05655	1.2
283.02539	1.1
284.03284	53.9
285.03677	4.3
298.04871	1.1
299.05637	100.0
300.05960	8.3
303.90805	0.6
337.07825	0.9
341.06680	1.7
342.76889	0.6
474.13998	0.6
503.12265	1.7
623.23474	0.8
943.30371	2.4
943.48029	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	946.6719
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98360	0.3
71.01388	0.9
73.02950	0.6
81.03481	5.2
82.17307	0.3
83.05038	14.6
85.02999	0.4
89.02435	0.4
95.29382	0.4
96.96078	0.5
98.22700	0.8
99.04535	0.9
100.07726	0.4
107.02608	0.4
108.04574	0.5
111.91335	0.4
115.20650	0.4
125.07201	1.1
149.02444	0.7
150.03223	2.1
163.06276	0.4
165.05608	1.3
195.06689	0.5
195.63490	0.4
197.93596	0.4
207.15050	1.4
224.17682	2.2
225.16104	8.5
225.18280	0.4
242.18927	0.7
285.03433	0.4
299.05685	1.4
324.26642	0.6
329.14145	0.4
333.23068	0.8
341.29428	1.1
367.27203	0.7
379.73215	0.4
433.32022	1.4
450.34625	1.2
451.32996	6.2
452.33148	0.9
550.43738	0.6
676.52039	0.7
677.49658	1.3
779.42291	0.9
815.30701	0.5
839.44672	0.9
843.95941	0.4
885.66553	0.6
903.66608	100.0
904.66901	29.7
946.68066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05602	2.2
73.02934	0.4
83.01405	0.6
83.05054	0.3
85.02950	0.4
89.02439	0.3
91.66772	0.3
101.02467	0.6
106.40086	0.2
107.01401	1.5
109.03003	0.2
133.02951	2.5
134.03786	0.5
148.01668	0.3
149.02451	1.0
149.99503	0.3
150.03220	0.5
151.00356	3.0
152.00754	0.3
161.04529	0.3
169.01437	0.3
175.04010	0.8
185.06079	0.4
193.04979	0.3
195.04472	0.2
195.06706	0.4
199.03990	1.1
200.04752	0.3
211.04053	0.3
213.05600	0.3
217.04970	0.4
227.03569	0.9
239.03476	0.4
241.05122	0.5
243.03038	0.2
255.03004	0.8
256.03754	2.5
267.02890	0.3
283.02542	0.7
284.03296	44.1
285.04062	73.0
286.04395	6.2
327.05185	0.8
337.07709	0.8
371.20831	0.3
413.21732	0.5
447.09573	0.9
451.33026	0.3
489.10452	100.0
490.10800	12.4
491.11575	0.4
515.08508	0.7
543.49664	0.3
595.81396	0.3
903.66766	1.8
904.66516	1.4
937.06091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73387	0.9
67.46977	0.8
69.03450	1.5
69.05580	1.5
69.05976	6.8
71.01399	9.3
73.02581	1.5
73.02956	19.5
75.00858	0.9
83.01399	22.7
85.02972	1.9
94.29479	0.8
95.01372	0.8
97.06608	1.5
98.21820	1.9
99.04530	100.0
100.04857	2.1
101.02449	11.8
113.02474	5.2
119.03509	1.3
125.02457	3.1
131.03496	1.0
143.03508	2.6
149.09752	1.1
161.02571	1.3
161.04608	2.0
162.03270	1.6
165.12952	1.0
167.10777	5.3
176.04706	1.4
177.05571	4.8
179.03474	2.4
194.05853	2.8
207.13907	3.3
209.08168	4.1
209.11818	7.1
223.13420	1.0
225.14934	9.1
227.12892	40.3
228.13316	2.5
233.11862	3.3
251.12947	5.7
269.04526	2.4
269.13953	16.4
270.14365	1.8
287.15039	51.7
288.15414	2.5
293.13992	2.1
311.14984	5.3
329.16257	5.4
341.15939	0.9
353.15973	2.2
359.17075	4.1
371.17090	11.3
390.39886	0.9
413.18005	2.0
431.19220	41.0
432.19687	3.4
514.00616	1.0
531.24292	2.5
625.05096	1.0
641.28284	5.1
642.28424	1.5
705.30994	1.4
723.32379	91.4
724.32758	18.9
806.88776	1.0
876.30701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03004	22.6
71.01392	100.0
72.99303	4.6
73.02955	42.9
83.01369	14.6
85.02963	30.5
87.00853	4.4
89.02454	52.8
95.01394	9.1
97.02985	3.7
98.22469	4.8
99.00919	5.1
101.02457	60.2
113.02464	47.5
119.03520	19.8
125.02454	4.3
131.03520	3.3
143.03516	5.0
149.04613	4.6
159.02930	3.3
161.04578	25.9
173.09688	6.1
179.05611	8.5
184.63921	2.1
189.12880	36.8
207.13922	9.0
326.17798	3.0
369.19128	26.7
373.49908	2.6
387.16293	1.4
387.20248	70.7
388.20737	7.0
429.21286	88.3
430.21661	8.5
674.51672	2.8
894.55194	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	947.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53477	3.1
69.03453	4.3
69.13089	2.9
69.13758	26.4
69.81792	3.2
71.01392	100.0
72.99303	5.0
73.02955	71.0
83.01402	20.6
85.02962	35.9
89.02454	49.7
95.01409	9.7
98.21807	6.4
99.00935	4.5
101.02452	91.0
113.02464	54.5
119.03520	18.1
131.03537	11.1
143.03490	7.6
149.04617	17.6
150.48282	3.1
155.56972	3.6
161.04564	44.4
162.62570	3.1
173.09789	3.3
179.05710	7.2
185.03798	3.4
185.37332	3.5
187.31441	3.4
189.12839	21.8
221.06685	11.8
225.11649	3.7
244.76138	3.1
302.72601	3.3
369.19153	18.9
370.19644	4.2
387.20276	46.4
429.21335	85.4
430.21722	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	959.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73633	1.3
67.65987	1.2
69.03443	3.0
69.32756	7.4
69.33150	3.1
71.01394	51.6
72.99317	1.7
73.02956	42.1
73.22195	1.3
73.71474	1.3
75.00859	1.6
76.83256	1.2
83.01405	13.6
85.02967	19.5
87.04529	3.8
89.02447	10.8
95.01418	4.6
99.00881	4.7
101.02460	36.0
106.97260	1.4
113.02467	31.7
119.03499	4.1
128.76709	1.5
136.07173	1.8
143.03493	2.9
149.04594	3.3
161.04576	17.5
189.12834	1.4
221.06683	2.1
255.19797	1.9
296.56766	1.5
391.26361	2.0
399.23907	100.0
400.24252	12.6
417.24991	20.6
459.26105	38.7
460.26450	4.8
880.14557	1.7
962.00378	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	961.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99305	0.4
73.02956	0.2
81.03469	0.5
83.01400	0.5
85.02960	0.5
87.00884	0.4
89.02458	2.4
95.01387	0.3
98.22623	0.4
99.04531	42.0
100.04841	1.3
101.02460	1.4
107.01408	0.6
113.02442	0.9
119.03515	0.8
122.06120	0.3
125.02454	1.9
133.02982	0.5
134.06137	0.5
143.03517	13.8
144.03830	0.2
145.01483	0.3
149.02483	0.3
151.00423	1.4
154.99831	1.1
161.02419	0.4
161.04590	0.3
175.00409	0.3
175.02486	0.3
175.03903	0.4
176.04857	0.3
179.05598	1.3
187.03986	0.3
199.03995	0.3
211.04082	0.3
217.04973	0.3
227.03513	0.7
228.84274	0.2
237.06880	0.3
241.04997	0.2
244.29346	0.2
251.03487	0.2
253.05087	0.6
255.03012	28.0
256.03766	22.6
257.04156	1.4
279.11240	0.3
281.04535	0.4
283.02512	22.5
284.03275	69.8
285.03934	15.0
286.04416	0.7
296.03241	0.3
298.04846	0.9
299.05530	0.8
309.04077	3.1
313.03696	0.5
323.09860	12.8
324.10223	0.8
326.04248	0.5
327.04941	0.3
400.05957	0.4
401.06815	0.3
418.07227	0.3
428.05350	0.5
429.06088	0.3
443.07965	1.3
444.08466	0.3
445.06638	0.6
446.08664	2.6
447.09244	0.4
475.10388	100.0
476.10739	14.3
533.99945	0.2
637.15601	3.6
638.16028	1.0
754.75940	0.2
773.30042	0.8
787.31854	0.4
845.33405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	63.4
72.16403	4.6
72.99306	10.9
73.02946	12.7
75.00869	18.3
79.32361	4.0
83.01398	30.9
85.02961	19.8
87.00882	15.4
87.04514	14.0
89.02467	31.9
94.06639	6.0
95.01394	7.1
99.00906	10.5
99.04517	46.4
101.02451	25.3
103.04024	4.9
106.06632	12.8
107.03873	4.1
107.99206	4.5
111.00889	14.6
113.02466	18.3
115.00386	17.1
119.03549	10.5
120.08263	5.9
120.97011	4.3
121.63124	4.0
122.06177	34.2
125.02412	6.3
129.01953	11.0
134.06157	69.7
136.07703	5.9
137.02538	5.0
143.03516	15.2
144.05756	4.8
145.01431	19.4
152.07219	17.8
154.99890	70.3
160.04088	5.0
161.04610	8.6
173.04514	5.6
175.02510	14.7
190.05115	8.4
215.11974	7.9
223.08746	6.6
227.12039	5.8
229.84911	6.4
232.86006	4.8
237.10468	5.8
239.11867	10.5
241.13448	7.9
251.08206	9.8
251.11774	6.1
255.02997	39.5
256.03751	17.3
263.08389	6.0
264.08936	7.9
265.09772	17.3
267.76614	5.4
269.13129	5.1
277.09937	12.9
279.11404	23.4
283.02499	19.4
284.03271	83.6
285.04065	70.9
286.04367	6.5
291.11542	6.0
292.08636	5.2
307.10983	6.5
323.09998	15.6
342.16074	7.8
344.85159	4.9
356.13873	6.0
370.16016	9.0
386.14981	6.4
398.14981	6.5
402.18414	11.2
412.16815	6.1
426.18173	6.0
447.09183	6.5
475.10327	100.0
476.10687	15.0
515.08344	12.3
547.89294	6.5
593.23853	7.5
606.24677	6.0
610.23450	5.1
651.24451	11.4
729.31653	11.6
737.28644	11.2
755.29352	42.6
756.30304	6.9
769.29999	7.6
771.29156	12.9
773.30438	86.0
774.30475	25.1
787.32178	31.1
799.28363	6.0
805.33118	25.5
813.29626	31.2
845.32623	30.8
846.32556	7.1
901.31622	9.4
924.77191	5.9
929.30109	21.0
961.52570	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	961.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68760	0.9
69.69152	0.9
71.01039	0.6
71.01394	9.1
72.99303	1.2
75.12379	0.4
85.02967	2.6
85.06597	7.1
87.00889	1.0
89.02457	10.3
95.01414	0.8
99.00902	0.5
101.02457	7.8
107.05025	0.4
113.02453	3.7
113.06109	3.4
115.07678	0.5
119.03516	4.5
127.07647	1.2
130.08743	1.7
131.07162	34.3
132.07460	1.3
173.08214	1.3
179.05611	0.4
243.41670	0.4
293.12448	100.0
294.12799	6.7
455.69379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	2.9
71.01405	14.7
71.68909	1.6
72.99304	2.5
73.02943	7.1
77.26379	1.7
81.03489	2.2
83.01400	13.8
83.05037	9.9
85.02966	2.5
87.00897	2.2
89.02481	2.1
91.61910	1.7
95.05009	2.0
97.06593	5.0
98.22273	13.0
99.04536	100.0
101.02477	10.8
107.05045	5.3
109.06537	1.7
110.03738	5.8
113.02463	4.6
121.06683	2.1
123.04527	4.8
123.08171	4.8
125.02554	2.1
125.06112	33.1
134.03754	1.7
143.03555	2.6
149.02388	2.2
149.06125	3.4
161.02414	3.6
161.04625	2.2
162.03276	2.5
163.11351	2.9
165.09203	4.9
166.02821	2.7
167.07114	13.0
177.05580	4.1
179.03534	3.7
181.05130	2.2
185.08171	10.9
194.05916	2.8
203.05678	1.8
207.10251	5.2
209.08200	3.3
223.13486	2.6
225.11360	8.7
241.14429	4.7
243.12415	22.3
244.12671	3.2
267.12430	6.5
285.03674	2.1
285.13489	45.3
285.16562	2.5
286.13840	2.8
291.12631	2.5
303.14529	23.9
304.14801	2.4
309.13467	6.1
327.14511	8.1
345.15506	2.9
387.16760	2.1
429.17630	2.7
447.18768	27.7
448.19324	2.0
657.27441	5.3
710.68201	2.2
739.31891	90.5
740.32159	20.1
801.26379	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	963.6876
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	0.4
71.26679	0.4
81.03465	6.8
83.05035	14.7
84.05401	0.2
89.07924	0.2
91.01845	0.3
100.07703	0.5
101.02457	0.3
107.06187	0.4
108.04527	0.6
125.07228	1.4
126.05592	0.6
143.08301	0.5
207.15074	1.0
214.74583	0.3
224.17696	2.8
225.16107	11.9
242.18839	0.7
309.21924	0.7
324.26648	0.6
333.22913	0.5
341.29379	1.0
367.27252	1.4
385.28644	0.5
427.47122	0.3
433.32037	1.1
450.34589	1.2
451.32947	7.0
452.33331	1.0
550.43829	0.6
564.07025	0.3
567.46301	0.5
593.43988	0.5
676.50769	0.4
677.50256	1.8
678.50159	0.5
776.60999	0.4
885.65833	0.5
903.66614	100.0
904.66895	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15336	2.9
72.18391	0.3
83.01377	0.4
93.45739	0.3
100.50841	0.4
107.01406	1.0
119.03495	0.3
133.02979	3.0
149.02464	0.7
151.00368	3.6
175.03998	1.2
191.05672	0.7
199.04013	1.6
201.01988	0.4
217.04993	0.8
241.05176	0.5
255.03003	3.2
256.03726	1.8
283.02533	1.1
284.03290	29.2
285.04074	100.0
286.04434	7.2
297.04300	0.5
302.06766	0.4
327.05072	1.2
406.45496	0.3
446.08463	0.5
447.09369	57.1
448.09702	6.1
529.81183	0.3
609.14679	63.2
610.14996	10.5
621.99310	0.4
636.60956	0.4
708.23987	0.4
749.07355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27965	18.9
71.01379	6.7
73.02943	3.9
81.03442	4.1
83.05058	4.5
87.85372	2.8
89.02440	3.1
101.02460	4.5
113.02448	4.4
176.32498	2.9
225.16118	3.1
285.03842	3.3
340.91992	3.3
363.45624	2.9
905.66901	7.0
906.67749	33.3
966.66132	100.0
967.66760	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43879	0.9
69.44288	1.6
71.01385	6.0
73.02944	1.5
83.01398	0.9
85.02944	2.4
87.04541	0.7
88.12836	0.6
89.02448	3.5
95.01384	1.2
98.22553	0.6
99.00948	0.7
101.02449	3.3
107.01414	1.5
113.02464	6.4
119.03522	1.9
131.03493	0.5
132.02222	0.6
133.02950	2.9
143.03485	0.5
149.02409	1.2
151.00401	4.0
161.04564	2.6
175.04063	0.9
179.05646	2.8
182.82324	0.4
199.04016	1.2
211.04036	0.5
212.04823	0.5
217.05046	0.8
227.03537	1.4
241.05136	1.0
256.03726	2.5
257.04532	0.8
284.03284	47.7
285.04062	98.2
286.04416	7.1
299.05829	0.6
327.05170	0.7
357.10492	0.6
415.23389	21.6
416.23688	2.0
433.24460	1.8
447.09351	100.0
448.09705	10.1
475.25616	5.2
476.25677	0.9
756.61560	0.5
952.51294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	2.5
68.97624	18.0
71.01386	5.5
81.81122	1.4
85.02966	2.2
87.39869	1.4
89.02448	8.4
96.55693	1.7
101.02464	3.8
109.02954	3.7
113.02408	1.7
119.03503	4.6
121.03029	1.6
123.00917	2.1
137.02446	24.5
149.02415	2.9
150.03183	5.7
151.00369	11.2
151.03993	4.8
152.04781	2.9
153.02019	1.9
155.43141	1.4
161.04529	1.7
162.03247	3.0
164.01175	2.3
165.01949	100.0
165.05583	5.9
166.02733	29.9
167.03311	3.6
175.04036	3.7
177.01920	4.8
177.05530	2.7
178.02696	2.0
179.03520	20.7
179.05595	4.0
180.04300	59.6
181.05074	38.8
184.03743	1.8
191.03641	1.5
191.05620	2.2
192.04353	3.5
193.05031	3.0
194.05821	4.0
195.06638	69.7
196.07018	3.9
205.05066	7.5
207.06618	3.7
210.05389	14.2
220.07408	4.6
225.07698	53.1
226.07877	1.9
284.03195	4.6
285.04105	13.3
286.04123	1.7
311.72284	1.7
314.61182	1.6
382.57156	1.7
387.10648	5.3
387.14807	4.2
402.13043	3.5
403.13922	2.1
416.14642	4.7
417.15588	46.6
418.15799	5.0
447.09225	13.8
580.19733	2.4
595.21857	61.3
595.31567	3.1
596.22241	10.9
625.22382	2.6
643.23999	74.7
644.24530	13.8
794.43854	2.0
805.28925	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	967.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	14.6
72.99306	2.1
73.02962	19.7
75.00881	16.3
83.01396	27.1
85.02966	3.6
89.02455	4.1
95.01396	1.4
97.06609	3.3
99.00929	2.4
99.04545	3.3
101.02471	13.3
109.02974	3.8
109.06618	2.0
113.02473	3.6
121.06586	1.2
123.00881	4.6
125.02476	4.4
135.03033	19.8
137.02473	11.9
138.03197	1.3
139.00371	1.3
139.04050	1.9
149.02467	1.7
149.09758	1.4
151.00378	35.2
151.04015	2.5
152.01100	4.6
152.04868	1.4
165.01997	2.4
165.12888	1.7
166.02739	96.6
167.03371	5.8
167.10760	7.7
175.04071	3.9
177.01949	3.9
179.03511	1.5
181.05093	100.0
182.05408	4.0
190.02664	1.2
190.06500	1.4
190.41762	1.2
191.03560	1.7
192.04352	2.0
195.02945	1.1
205.05157	1.9
205.08798	1.5
207.06677	3.1
207.13904	6.5
209.11839	10.3
220.07397	1.3
223.13347	1.6
225.14990	10.6
227.12914	60.6
228.13216	3.0
233.11874	5.0
251.12878	7.3
269.14017	16.5
285.04034	2.1
287.15051	35.1
288.15292	1.8
293.14053	3.0
311.14868	2.5
317.13913	1.7
329.16025	2.8
353.16022	1.6
359.11566	2.0
359.57199	1.3
371.17233	4.3
372.12271	3.2
373.13052	1.6
387.10458	13.6
387.15274	6.6
388.11502	5.3
402.13309	12.5
403.14038	14.4
404.14310	2.1
413.18283	2.6
417.15588	50.7
418.15909	7.0
431.19199	20.9
432.19522	2.7
549.21814	4.3
615.25189	1.4
831.33966	4.4
849.35602	80.3
850.35828	18.4
967.38208	25.9
968.38995	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	967.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	35.1
71.26350	8.1
73.02951	5.9
75.00874	8.0
83.01459	8.3
85.02961	24.3
87.00872	7.0
89.02446	23.7
99.00903	21.8
99.04484	6.4
99.47874	5.8
101.02451	26.4
113.02448	22.3
119.03528	6.9
135.02998	13.2
135.08197	6.4
135.49921	5.8
137.02466	10.6
137.09752	11.4
143.03490	6.3
151.04036	10.5
159.28545	5.5
161.04596	8.6
163.07671	7.0
165.05583	7.0
166.02715	19.4
175.03972	34.1
176.04704	7.5
179.10826	9.1
180.04272	7.5
181.05048	12.9
181.08716	17.7
181.67586	5.6
189.05591	6.1
190.06328	26.4
191.07137	23.8
193.05081	12.6
194.05994	7.9
197.11870	9.1
205.08694	20.3
207.06696	6.9
208.07355	8.8
223.09781	9.3
227.12935	12.7
241.10759	17.0
375.14496	14.6
389.16113	27.9
417.15472	9.6
440.55072	8.5
547.20612	12.8
849.35040	8.8
967.38049	100.0
968.38617	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	55.5
71.26327	7.7
73.02945	7.7
82.95432	73.3
83.01382	6.8
85.02948	26.6
87.00885	8.0
89.02458	33.9
99.00890	16.0
100.96189	5.9
101.02473	29.5
113.02474	28.3
119.03521	15.7
122.06144	16.9
125.02491	7.5
134.06149	30.2
137.02402	7.3
137.09776	14.7
149.02441	7.3
151.04054	7.7
152.07175	9.9
161.04565	6.3
161.09682	7.2
163.04015	8.2
166.02509	6.3
175.04063	28.1
176.04646	9.0
180.04329	11.1
181.08704	8.4
190.06433	20.4
191.07129	13.3
193.05083	7.1
194.05855	6.3
197.11908	11.2
205.08661	11.7
207.06538	9.7
223.09787	9.8
265.09872	7.7
270.94086	5.6
279.11292	12.7
285.04044	6.0
291.11432	6.7
307.11771	10.1
323.10074	7.5
386.15039	7.8
389.16046	16.6
405.15527	7.2
469.16855	6.0
582.19415	5.7
650.23065	7.1
688.31592	6.4
729.31537	6.8
755.28326	13.8
773.30530	50.3
774.31012	9.8
787.32037	80.2
788.32080	15.6
805.33105	100.0
806.33197	24.2
847.35223	11.8
880.89355	7.2
967.37970	64.4
968.37732	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30675	0.7
69.43965	0.7
71.01385	1.7
73.66322	0.7
83.05817	0.8
89.02468	1.2
93.03465	4.5
95.01424	1.0
95.05010	0.8
98.21835	2.2
101.02457	0.7
108.02177	1.4
109.02982	2.1
119.03506	0.8
121.02972	9.9
122.03766	15.1
123.00938	0.9
123.04554	2.1
124.01710	1.1
133.02992	2.8
134.03766	3.4
135.04549	2.1
135.92120	0.8
136.01674	7.3
137.02490	7.8
146.03758	2.3
147.04463	1.1
149.02464	34.0
149.06076	4.2
150.03247	100.0
151.00414	4.2
151.04053	16.1
153.01889	1.1
161.02493	1.2
161.06079	1.4
162.03271	1.0
163.04083	0.8
164.04832	7.2
165.01961	2.4
165.05588	82.1
166.02736	8.2
166.05969	3.8
167.03517	2.0
170.86063	0.7
175.04022	1.1
177.05574	2.5
179.03455	1.8
179.05695	1.2
179.07123	7.7
180.04282	5.8
181.05103	10.6
184.03740	1.1
187.04030	1.2
189.05856	0.8
191.03658	0.7
192.04306	0.8
195.06650	39.0
196.07014	1.7
198.14780	0.8
204.01514	0.9
205.05141	3.4
217.26843	0.8
219.06642	1.2
220.07486	2.8
329.10556	1.1
369.13528	0.8
369.94086	0.9
372.12051	1.2
387.10321	1.1
387.14792	1.5
402.13739	0.8
403.14233	0.8
417.15631	8.4
418.15680	1.0
472.10117	0.8
520.17010	0.9
535.16089	1.9
550.18701	1.1
551.18860	0.8
564.20111	2.2
565.20807	20.3
566.21161	3.0
595.22150	2.6
613.22900	10.0
614.23450	2.0
619.21649	1.9
667.23639	1.0
713.25995	15.1
714.26508	3.0
729.57233	0.9
743.26959	6.7
744.27039	1.3
761.28217	11.1
762.28802	2.3
773.29047	1.4
791.29254	4.3
809.30212	9.9
810.30347	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	971.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	9.4
72.99331	1.4
85.02974	1.6
89.02462	6.3
93.03471	4.5
95.31703	1.3
101.02454	5.4
113.02475	3.8
119.03500	3.4
121.02987	5.4
122.03754	15.6
134.03769	1.5
135.04523	1.3
136.01671	8.3
137.02449	4.6
146.03809	1.9
149.02460	23.9
149.06093	1.4
150.03247	100.0
151.00366	3.7
151.04041	11.1
161.02457	2.2
162.03233	7.3
164.04799	4.4
165.01889	3.1
165.05588	92.5
166.02701	8.2
166.05948	4.1
175.04106	1.4
177.01933	2.7
177.05551	4.6
179.05719	3.5
179.07175	3.4
180.04301	5.0
181.05067	10.9
195.06647	58.7
196.07033	2.6
205.05077	1.9
210.81082	1.6
214.15744	1.3
387.14328	4.3
417.15561	9.6
421.14554	1.7
535.19006	2.9
565.20813	18.1
566.21375	2.7
595.21466	3.8
613.22955	8.2
669.05042	1.4
713.26331	3.2
725.25739	2.8
743.27130	2.3
761.28528	6.8
778.20587	1.5
791.28998	1.8
809.30255	7.5
810.30255	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	971.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.0
69.17041	3.0
69.17455	5.7
71.01389	45.7
72.99319	5.0
73.02942	8.2
79.90491	0.9
83.01385	3.6
85.02961	21.0
86.00106	1.6
87.00872	8.4
87.04539	2.7
89.02457	21.8
95.01415	3.0
98.21773	2.3
99.00894	1.8
101.02460	16.5
103.04064	1.3
113.02467	19.7
113.03194	1.7
115.04027	1.9
119.03519	6.8
122.75174	1.0
125.02535	1.0
131.03526	9.3
135.01962	1.0
135.16245	1.0
143.03508	5.4
161.04630	2.0
163.06169	4.4
163.07497	1.0
187.06059	1.3
205.07179	2.1
217.15993	1.7
239.69193	1.0
247.08395	1.4
254.14671	1.2
377.28766	1.8
379.26639	1.1
395.29620	5.3
404.16272	1.3
423.29129	1.8
425.30618	11.8
426.31213	2.0
437.27322	2.4
439.28571	84.3
440.28787	11.2
450.16895	1.8
541.71191	1.1
555.29767	4.8
587.36420	4.0
605.36969	2.1
619.35809	1.9
649.36108	5.4
650.36975	1.7
717.38324	2.2
761.37927	8.3
941.43701	12.3
942.43311	2.3
971.45074	100.0
972.45416	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	973.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49149	0.9
71.01389	6.0
72.70682	0.8
73.02957	1.6
75.00867	0.8
85.02962	3.1
87.00861	1.2
89.02456	2.8
93.03468	6.4
93.16856	0.7
95.01415	0.9
96.96027	1.3
98.21760	1.9
101.02450	3.4
108.02184	1.5
109.02963	1.0
113.02464	3.1
119.03500	1.4
121.02972	8.6
122.03763	17.6
123.04578	1.0
124.01663	1.8
125.02464	0.9
132.02184	2.1
133.02963	3.3
134.03719	3.8
135.04507	2.3
136.01683	11.4
137.02409	3.6
138.03290	1.3
139.04007	1.5
145.02960	2.8
146.03741	4.0
147.04538	2.5
149.02463	34.3
149.06078	5.9
150.03247	100.0
151.04036	29.4
152.04564	0.8
157.28580	0.9
161.02473	2.2
161.04634	0.8
161.06065	1.4
162.03229	3.3
163.04016	2.1
164.04810	6.9
165.05588	86.6
166.02713	1.2
166.05940	3.9
172.58350	0.8
175.04010	3.3
176.04794	1.5
177.05591	4.4
179.03535	1.1
179.05701	1.2
179.07123	3.9
180.04309	8.3
181.05107	1.2
188.04807	1.6
189.05560	2.0
190.06357	4.3
191.03574	1.4
191.05620	2.0
191.07167	3.3
193.05019	2.5
194.05923	3.8
194.07498	0.9
195.06638	35.6
196.06941	1.4
203.07137	1.5
205.08739	3.7
206.05876	1.2
207.06715	5.2
208.07338	1.4
223.06052	1.2
269.04504	1.5
285.04077	1.2
299.40009	0.8
308.32495	0.8
354.57983	0.9
359.15359	0.9
387.14398	1.2
389.16147	10.8
390.16510	0.9
415.14410	1.1
419.17099	0.9
497.63541	1.0
537.21704	9.6
552.19757	1.4
565.20740	1.4
566.21832	1.6
567.22485	14.8
568.22736	2.2
585.23535	6.2
586.23267	0.9
597.23340	1.8
613.23004	2.0
614.24011	5.2
615.24548	8.6
644.69714	0.9
669.25275	2.2
715.27570	16.6
716.27533	3.3
745.28876	10.7
746.28979	2.2
763.29773	16.9
764.29651	5.0
775.29523	3.9
793.30640	6.4
794.30579	2.9
811.31909	19.1
812.31854	4.5
973.49506	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	973.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49149	0.9
71.01389	6.0
72.70682	0.8
73.02957	1.6
75.00867	0.8
85.02962	3.1
87.00861	1.2
89.02456	2.8
93.03468	6.4
93.16856	0.7
95.01415	0.9
96.96027	1.3
98.21760	1.9
101.02450	3.4
108.02184	1.5
109.02963	1.0
113.02464	3.1
119.03500	1.4
121.02972	8.6
122.03763	17.6
123.04578	1.0
124.01663	1.8
125.02464	0.9
132.02184	2.1
133.02963	3.3
134.03719	3.8
135.04507	2.3
136.01683	11.4
137.02409	3.6
138.03290	1.3
139.04007	1.5
145.02960	2.8
146.03741	4.0
147.04538	2.5
149.02463	34.3
149.06078	5.9
150.03247	100.0
151.04036	29.4
152.04564	0.8
157.28580	0.9
161.02473	2.2
161.04634	0.8
161.06065	1.4
162.03229	3.3
163.04016	2.1
164.04810	6.9
165.05588	86.6
166.02713	1.2
166.05940	3.9
172.58350	0.8
175.04010	3.3
176.04794	1.5
177.05591	4.4
179.03535	1.1
179.05701	1.2
179.07123	3.9
180.04309	8.3
181.05107	1.2
188.04807	1.6
189.05560	2.0
190.06357	4.3
191.03574	1.4
191.05620	2.0
191.07167	3.3
193.05019	2.5
194.05923	3.8
194.07498	0.9
195.06638	35.6
196.06941	1.4
203.07137	1.5
205.08739	3.7
206.05876	1.2
207.06715	5.2
208.07338	1.4
223.06052	1.2
269.04504	1.5
285.04077	1.2
299.40009	0.8
308.32495	0.8
354.57983	0.9
359.15359	0.9
387.14398	1.2
389.16147	10.8
390.16510	0.9
415.14410	1.1
419.17099	0.9
497.63541	1.0
537.21704	9.6
552.19757	1.4
565.20740	1.4
566.21832	1.6
567.22485	14.8
568.22736	2.2
585.23535	6.2
586.23267	0.9
597.23340	1.8
613.23004	2.0
614.24011	5.2
615.24548	8.6
644.69714	0.9
669.25275	2.2
715.27570	16.6
716.27533	3.3
745.28876	10.7
746.28979	2.2
763.29773	16.9
764.29651	5.0
775.29523	3.9
793.30640	6.4
794.30579	2.9
811.31909	19.1
812.31854	4.5
973.49506	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	973.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
67.49149	0.9
71.01389	6.0
72.70682	0.8
73.02957	1.6
75.00867	0.8
85.02962	3.1
87.00861	1.2
89.02456	2.8
93.03468	6.4
93.16856	0.7
95.01415	0.9
96.96027	1.3
98.21760	1.9
101.02450	3.4
108.02184	1.5
109.02963	1.0
113.02464	3.1
119.03500	1.4
121.02972	8.6
122.03763	17.6
123.04578	1.0
124.01663	1.8
125.02464	0.9
132.02184	2.1
133.02963	3.3
134.03719	3.8
135.04507	2.3
136.01683	11.4
137.02409	3.6
138.03290	1.3
139.04007	1.5
145.02960	2.8
146.03741	4.0
147.04538	2.5
149.02463	34.3
149.06078	5.9
150.03247	100.0
151.04036	29.4
152.04564	0.8
157.28580	0.9
161.02473	2.2
161.04634	0.8
161.06065	1.4
162.03229	3.3
163.04016	2.1
164.04810	6.9
165.05588	86.6
166.02713	1.2
166.05940	3.9
172.58350	0.8
175.04010	3.3
176.04794	1.5
177.05591	4.4
179.03535	1.1
179.05701	1.2
179.07123	3.9
180.04309	8.3
181.05107	1.2
188.04807	1.6
189.05560	2.0
190.06357	4.3
191.03574	1.4
191.05620	2.0
191.07167	3.3
193.05019	2.5
194.05923	3.8
194.07498	0.9
195.06638	35.6
196.06941	1.4
203.07137	1.5
205.08739	3.7
206.05876	1.2
207.06715	5.2
208.07338	1.4
223.06052	1.2
269.04504	1.5
285.04077	1.2
299.40009	0.8
308.32495	0.8
354.57983	0.9
359.15359	0.9
387.14398	1.2
389.16147	10.8
390.16510	0.9
415.14410	1.1
419.17099	0.9
497.63541	1.0
537.21704	9.6
552.19757	1.4
565.20740	1.4
566.21832	1.6
567.22485	14.8
568.22736	2.2
585.23535	6.2
586.23267	0.9
597.23340	1.8
613.23004	2.0
614.24011	5.2
615.24548	8.6
644.69714	0.9
669.25275	2.2
715.27570	16.6
716.27533	3.3
745.28876	10.7
746.28979	2.2
763.29773	16.9
764.29651	5.0
775.29523	3.9
793.30640	6.4
794.30579	2.9
811.31909	19.1
812.31854	4.5
973.49506	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	981.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37140	0.5
68.99789	0.8
69.03456	0.9
71.01390	4.7
71.21836	0.5
72.99309	1.3
75.00884	4.2
85.02966	4.9
87.00901	1.3
88.12865	0.6
89.02468	0.8
93.03465	0.5
95.01398	1.3
99.00887	3.2
103.00372	0.6
107.01402	0.8
113.02463	5.8
117.01928	0.5
121.02972	22.8
122.03312	1.1
133.02995	2.4
149.02432	1.2
151.00406	2.5
153.74954	0.5
175.04031	1.5
198.06059	0.5
199.04056	0.7
231.05127	1.4
249.06184	17.0
255.03108	1.2
256.03842	1.1
260.06799	0.6
268.07382	0.9
283.09790	1.3
284.00790	0.6
284.03302	38.8
285.04083	98.9
286.04395	6.0
327.05157	1.3
371.09882	34.6
372.10275	2.6
447.09393	100.0
448.03500	0.7
448.09729	11.1
465.15381	0.5
477.15326	0.7
609.14685	33.6
610.15045	4.7
627.20557	0.6
639.21002	1.5
657.22363	0.8
953.57855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68155	0.5
69.68565	1.6
71.01370	0.3
78.89896	0.3
80.80352	0.3
82.05933	0.3
95.05032	1.0
102.64219	0.3
105.03477	2.5
119.05047	1.0
123.04539	1.0
127.68942	0.3
129.03477	1.1
130.04279	0.4
133.02974	5.6
134.03763	2.9
135.04538	0.6
145.02965	0.6
146.03735	2.5
147.04552	10.4
148.05133	0.5
149.06105	4.5
151.04047	1.1
161.02466	63.7
161.06003	1.5
162.02808	2.2
163.04027	2.8
164.04829	3.6
165.05589	11.0
166.05981	0.4
175.04030	0.9
176.04805	60.9
177.05133	3.2
179.03522	10.6
179.07141	8.0
186.40012	0.3
191.07161	41.7
192.07545	1.3
193.05064	0.5
194.05847	10.3
209.08212	100.0
210.08543	4.6
219.06569	0.7
295.32962	0.3
313.10870	4.5
325.11008	0.6
327.10834	1.6
343.12042	2.8
355.14072	0.3
361.12961	5.2
362.13501	0.5
538.52539	0.4
968.43030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	2.0
70.00932	0.9
71.01389	15.5
71.27738	1.2
71.28078	1.1
72.99303	1.2
73.02966	6.6
75.00877	1.2
83.01402	1.1
85.02956	14.9
86.00115	1.0
87.00875	7.3
87.04542	2.4
89.02460	6.4
97.02965	1.2
99.04514	2.2
99.19057	1.0
101.02474	3.8
113.02427	7.0
115.04039	4.3
125.02492	1.9
127.04002	1.3
131.03513	8.6
143.03519	7.6
144.38850	1.1
145.05075	1.6
149.04567	1.6
151.11305	2.0
156.26691	1.0
183.74037	1.0
191.05685	1.2
194.69374	1.0
205.07219	5.6
215.14441	4.1
217.16039	3.4
224.74960	0.9
230.53658	1.0
337.11465	7.6
354.94888	0.9
372.29727	1.0
377.28790	1.5
391.26743	2.1
393.28201	3.6
395.29691	4.1
405.28146	2.5
407.29828	4.1
409.27704	1.6
411.29398	1.0
421.27579	2.2
423.29272	6.3
425.30746	10.0
426.31436	1.7
437.26840	4.9
439.28534	65.6
440.29031	9.5
443.31937	3.7
457.29431	5.3
458.29868	1.5
469.29749	1.6
487.30707	13.3
488.30969	2.0
494.46332	1.2
935.42133	5.7
936.42078	1.3
953.44135	1.8
983.45001	100.0
984.45380	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	2.6
69.13565	3.8
69.13986	4.7
71.01391	18.4
73.02956	6.9
75.00901	1.7
83.01398	1.9
85.02959	13.8
86.00119	1.3
87.00881	8.0
87.04525	3.0
89.02465	6.6
97.02982	2.7
98.22524	2.2
99.04559	1.1
101.02496	4.7
105.40543	1.1
113.02460	7.2
115.04039	4.3
119.03538	0.9
125.02457	2.6
127.04053	2.1
128.01071	1.0
131.03526	7.6
143.03517	8.3
143.09885	1.2
144.96893	0.9
145.05089	2.5
149.04613	1.3
151.11255	1.8
191.05676	1.2
205.07190	5.3
215.14427	2.6
217.07198	1.3
217.16032	3.7
237.15422	1.0
239.14467	1.7
283.20474	1.1
294.00516	1.3
297.95624	1.1
337.11420	6.8
361.25516	1.5
375.27112	1.1
379.26233	1.6
389.28882	1.3
391.26596	2.6
393.28146	4.4
395.29733	3.6
405.28238	2.9
407.29758	4.3
409.27921	1.3
421.27719	2.2
423.29123	6.3
424.29849	1.2
425.30728	13.6
426.31265	1.8
437.27045	3.4
439.28552	66.4
440.28885	8.4
443.32004	4.1
457.29501	7.1
469.30002	1.1
487.30719	10.8
521.05042	1.1
569.03119	1.2
935.43164	8.0
936.43555	2.7
953.43219	3.2
983.45026	100.0
984.45404	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99829	1.3
69.03457	0.9
71.01389	8.9
72.99313	2.3
73.02942	0.9
75.00879	10.0
77.04009	0.3
81.03466	0.5
83.01395	0.7
83.05060	0.3
83.65698	0.2
85.02961	10.6
86.03284	0.3
87.00891	3.6
89.02457	2.5
91.04034	0.4
93.03474	1.2
95.01408	2.8
97.02937	0.4
98.21713	0.3
99.00889	5.8
101.02438	0.6
103.00386	1.0
103.04044	0.3
108.02152	0.4
109.02965	0.4
111.00919	0.5
112.01693	0.3
113.02459	13.3
114.02817	0.6
115.00398	1.1
117.01955	1.9
121.02967	50.5
122.03284	1.7
129.01935	0.9
131.03426	0.3
139.00446	0.3
144.85960	0.2
146.21321	0.2
151.00412	0.5
153.26213	0.2
156.67340	0.2
157.01385	0.2
169.05098	0.2
175.02460	1.5
180.58684	0.2
189.04050	1.0
231.05113	3.7
249.06171	35.8
250.06528	1.8
274.66956	0.3
284.03415	0.4
285.03842	1.5
286.04352	1.4
287.04739	0.8
288.05161	0.4
311.07861	0.3
349.94144	0.3
353.08771	0.8
371.09842	100.0
372.10181	8.5
373.10562	0.4
392.45959	0.3
447.09250	0.7
448.09705	0.9
449.10208	0.9
450.10522	0.7
451.10815	0.5
507.92831	0.3
609.14514	0.3
613.16180	0.3
613.30591	1.8
652.48328	0.3
850.42719	0.3
955.24969	0.3
991.46161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99808	0.7
69.03471	0.6
69.19152	2.6
71.01040	0.5
71.01395	7.4
72.99338	0.4
73.02960	1.3
81.03465	2.2
83.01398	1.6
85.02950	3.0
87.00909	1.1
89.02464	1.6
91.01895	2.3
95.01407	3.9
96.99316	1.2
97.02969	0.6
98.21764	0.6
99.00920	0.5
99.04536	42.7
100.04854	0.6
101.02460	4.1
107.01392	3.3
108.02193	11.9
109.02991	2.5
110.22147	0.3
111.00229	0.4
111.00904	2.8
112.98842	0.4
113.02445	3.2
119.03498	0.3
121.02980	0.5
123.00913	8.4
123.04546	17.1
124.01686	1.4
124.04840	0.8
125.02458	8.7
126.02732	0.4
136.01695	0.7
138.03252	1.3
139.00346	0.7
150.03200	0.4
151.00391	9.1
151.04050	1.3
152.01180	22.1
153.01965	3.5
153.05586	1.8
161.02489	2.2
161.04489	0.5
162.03207	0.9
163.03990	0.7
165.01979	0.6
166.02769	4.7
167.03519	56.5
168.03874	1.9
176.04803	2.5
177.01924	1.0
177.05559	0.9
179.03522	5.1
180.04195	0.7
181.05077	1.3
191.07137	1.2
192.04285	0.6
193.05095	0.8
194.05879	7.2
195.03017	0.9
195.06523	1.2
198.77559	0.4
207.06802	0.8
209.04555	1.4
209.08224	16.8
210.08626	0.7
221.04572	1.7
239.05693	1.1
251.05643	1.8
260.47772	0.4
280.06079	0.5
281.06805	0.8
295.08322	1.0
296.05414	5.5
297.06110	1.0
311.07773	45.7
312.08105	2.6
389.11960	0.3
477.14371	0.5
503.15546	1.5
506.14243	0.4
512.92316	0.4
521.16724	100.0
522.17084	11.6
530.26050	0.3
551.71198	0.3
573.18494	0.7
603.20929	87.3
604.21259	13.4
604.31250	0.5
735.49103	0.4
989.45831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26723	1.6
69.27135	0.7
71.01391	15.8
72.99308	1.7
83.01394	0.7
85.02552	0.3
85.02972	4.0
87.00864	0.7
89.02456	17.3
90.02780	0.4
90.52460	0.3
95.01397	1.2
99.00925	0.3
101.02454	12.6
113.02463	7.0
119.03515	7.9
131.03542	0.4
143.03499	0.9
143.07065	0.5
149.04604	0.6
161.04565	0.5
161.08238	0.7
176.98026	0.3
179.05611	1.3
201.33575	0.3
232.63434	0.3
238.23802	0.3
323.13495	100.0
324.10059	0.4
324.13843	6.3
549.49872	0.4
623.37451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.6
83.01379	0.7
85.02953	0.9
87.00844	0.4
89.02439	0.7
91.66747	0.4
95.01388	0.4
98.21785	0.5
101.02459	1.1
102.44789	0.3
107.01406	1.7
113.02456	1.4
119.03498	0.3
121.02959	0.3
125.02436	0.3
133.02966	2.4
134.03775	0.6
147.24896	0.3
148.01675	0.4
149.02452	1.1
149.99597	0.3
151.00372	2.5
161.04572	0.5
171.04451	0.4
174.03154	0.3
175.04013	1.0
199.03955	1.0
200.04771	0.4
201.01869	0.4
211.03967	0.4
213.05624	0.3
217.05013	0.5
227.01440	0.3
227.03348	1.3
239.03470	0.6
241.05186	0.5
255.03047	1.1
256.03799	3.0
257.04510	0.3
283.02472	0.6
284.03290	50.6
285.04056	76.5
286.04407	5.2
309.03857	0.3
327.05133	0.8
363.54196	0.3
399.23926	4.3
400.24222	0.7
417.25049	0.8
429.08289	2.2
445.21335	0.3
447.09018	1.3
459.26370	1.8
489.10437	100.0
490.10825	11.4
537.50781	0.3
544.39197	0.3
719.28564	0.3
831.45392	0.4
850.76538	0.3
993.50787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.456
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.8
71.01392	50.2
72.99319	1.8
73.02956	17.4
83.01392	7.0
85.02969	19.8
87.00891	3.6
87.04550	4.9
89.01902	1.6
89.02455	31.3
89.02972	2.8
95.01383	6.9
95.19062	1.3
98.22596	4.2
99.00902	3.3
101.02448	28.9
108.08194	1.6
113.02457	41.8
115.76720	1.5
119.03519	14.1
131.03510	1.5
143.03522	7.4
149.04630	3.4
159.10321	2.9
161.04581	16.4
163.74138	1.3
179.05643	17.4
258.12515	1.3
271.19275	2.3
285.13434	1.3
303.14438	7.6
327.17990	3.3
345.19244	4.9
358.11337	3.4
415.23386	100.0
416.23602	11.1
433.24442	33.0
434.24997	3.4
475.25485	42.1
476.25943	5.4
500.16034	1.6
912.87109	1.6
926.18890	1.8
END